| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 69.2 | Low | 90.2 | Very high | 165 Ų | 165 | 39.8 Ų | 39.8 | 81% | 0.813 | 19% | 0.191 | S | C | * | . | 0 | 146.8 | 0 | -58.3 | -170.8 | 90 | 0 | 0 | 108.1 | K378 N379 V380 | M1-K378 HydrophobicContact CE-CB 4.09Å; M1-N379 CarbonylContact C-O 3.49Å; M1-N379 VanDerWaalsContact CA-O 3.25Å; M1-N379 WeakPolarHBondContact CA-O 3.46Å; M1-V380 HydrophobicContact CE-CG2 3.64Å; M1-V380 HydrophobicContact CG-CG2 4.23Å | |||
| 2 | S | 82.6 | Confident | 89.8 | Confident | 21 Ų | 21 | 44.8 Ų | 44.8 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 133.5 | 177.3 | 59.9 | 0 | 0 | 0 | 0 | 110.2 | N379 P381 | S2-N379 PolarHBondContact N-O 3.18Å; S2-N379 PolarHBondContact O-N 3.37Å; S2-P381 WeakPolarHBondContact OG-CD 3.19Å; S2-P381 WeakPolarHBondContact OG-CG 3.47Å |
| 3 | N | 88.7 | Confident | 88.9 | Confident | 105 Ų | 105 | 43.6 Ų | 43.6 | 56% | 0.561 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 155.2 | 168.6 | -65.1 | -15.4 | 0 | 0 | 0 | 109.8 | Y5 I377 K378 | N3-Y5 PolarHBondContact O-N 3.48Å; N3-I377 WeakPolarHBondContact CA-O 3.39Å; N3-K378 VanDerWaalsContact OD1-CG 3.29Å; N3-K378 WeakPolarHBondContact OD1-CG 3.45Å |
| 4 | L | 93.3 | Very high | 88.1 | Confident | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -61.9 | 131.4 | 169.2 | -136.8 | 80.5 | 0 | 0 | 0 | 109.9 | V6 F99 T348 M350 A374 I377 | L4-V6 HydrophobicContact CB-CG2 4.36Å; L4-V6 HydrophobicContact CD2-CG2 4.42Å; L4-F99 HydrophobicContact CD2-CE1 4.29Å; L4-F99 HydrophobicContact CD2-CZ 4.16Å; L4-T348 VanDerWaalsContact CD1-CB 3.43Å; L4-T348 HydrophobicContact CD1-CG2 3.53Å; L4-T348 HydrophobicContact CD2-CG2 4.44Å; L4-T348 HydrophobicContact CG-CG2 4.08Å; L4-M350 HydrophobicContact CD2-CB 4.18Å; L4-A374 VanDerWaalsContact CB-O 3.28Å; L4-A374 WeakPolarHBondContact CB-O 3.36Å; L4-A374 HydrophobicContact CD2-CB 3.81Å; L4-I377 HydrophobicContact CD1-CB 4.49Å; L4-I377 HydrophobicContact CD1-CG2 4.47Å; L4-I377 PolarHBondContact N-O 3.3Å |
| 5 | Y | 96.3 | Very high | 87.3 | Confident | 78 Ų | 78 | 51.9 Ų | 51.9 | 31% | 0.306 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 123.3 | 172 | -168.1 | -110 | 0 | 0 | 0 | 108.8 | N3 V7 D59 H81 T348 T349 M350 | N3-Y5 PolarHBondContact O-N 3.48Å; Y5-V7 HydrophobicContact CD1-CG1 3.78Å; Y5-V7 HydrophobicContact CE1-CG1 3.31Å; Y5-D59 HydrophobicContact CD2-CB 3.66Å; Y5-D59 HydrophobicContact CE1-CB 4.45Å; Y5-D59 HydrophobicContact CE2-CB 3.26Å; Y5-D59 HydrophobicContact CG-CB 4.4Å; Y5-H81 AromaticContact CZ-NE2 3.88Å; Y5-H81 PolarHBondContact OH-NE2 3Å; Y5-T348 PolarHBondContact N-O 3.33Å; Y5-T348 VanDerWaalsContact N-O 3.09Å; Y5-T349 HydrophobicContact CD1-CG2 3.78Å; Y5-T349 CarbonylContact O-C 3.49Å; Y5-T349 WeakPolarHBondContact O-CA 3.23Å; Y5-T349 WeakPolarHBondContact O-CG2 3.41Å; Y5-M350 PolarHBondContact O-N 3.18Å |
| 6 | V | 96.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 115.6 | -172.9 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | L4 L58 D59 M350 A371 A374 K375 | L4-V6 HydrophobicContact CB-CG2 4.36Å; L4-V6 HydrophobicContact CD2-CG2 4.42Å; V6-L58 HydrophobicContact CG1-CD2 3.97Å; V6-D59 PolarHBondContact N-OD2 2.95Å; V6-D59 WeakPolarHBondContact O-CB 3.37Å; V6-D59 PolarHBondContact O-N 3.47Å; V6-M350 HydrophobicContact CG1-CB 4.39Å; V6-M350 HydrophobicContact CG1-SD 4.39Å; V6-M350 HydrophobicContact CG2-CB 4.26Å; V6-A371 HydrophobicContact CG1-CB 3.7Å; V6-A374 HydrophobicContact CG2-CB 4.48Å; V6-K375 HydrophobicContact CB-CB 4.32Å; V6-K375 HydrophobicContact CG2-CB 3.71Å; V6-K375 HydrophobicContact CG2-CG 4.39Å |
| 7 | V | 96 | Very high | 85.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 154.6 | 176.2 | -54.9 | 0 | 0 | 0 | 0 | 110.8 | Y5 H60 F62 I82 M350 I351 A352 | Y5-V7 HydrophobicContact CD1-CG1 3.78Å; Y5-V7 HydrophobicContact CE1-CG1 3.31Å; V7-H60 CarbonylContact C-O 3.59Å; V7-H60 WeakPolarHBondContact CA-O 3.5Å; V7-H60 HydrophobicContact CB-CB 4.48Å; V7-H60 WeakPolarHBondContact CB-O 3.09Å; V7-H60 HydrophobicContact CG1-CB 3.88Å; V7-F62 HydrophobicContact CB-CD2 4.46Å; V7-F62 HydrophobicContact CB-CE2 4.1Å; V7-F62 HydrophobicContact CG1-CE2 4.3Å; V7-F62 HydrophobicContact CG2-CE2 4.18Å; V7-I82 HydrophobicContact CB-CD1 4.25Å; V7-I82 HydrophobicContact CG1-CD1 3.92Å; V7-I82 HydrophobicContact CG2-CD1 3.51Å; V7-M350 PolarHBondContact N-O 3.29Å; V7-I351 HydrophobicContact CG2-CB 4.07Å; V7-I351 HydrophobicContact CG2-CG1 3.82Å; V7-I351 HydrophobicContact CG2-CG2 4.03Å; V7-A352 WeakPolarHBondContact O-CB 3.42Å; V7-A352 PolarHBondContact O-N 2.93Å |
| 8 | A | 95 | Very high | 84.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 146.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I33 L58 H60 I61 F62 A352 | A8-I33 HydrophobicContact CB-CD1 3.61Å; A8-L58 HydrophobicContact CB-CD1 3.37Å; A8-H60 PolarHBondContact N-O 3.29Å; A8-I61 HydrophobicContact CB-CG1 4.41Å; A8-I61 HydrophobicContact CB-CG2 4.4Å; A8-I61 WeakPolarHBondContact O-CA 3.29Å; A8-F62 PolarHBondContact O-N 2.87Å; A8-A352 CarbonylContact C-O 3.51Å; A8-A352 VanDerWaalsContact CA-O 3.23Å; A8-A352 WeakPolarHBondContact CA-O 3.37Å; A8-A352 HydrophobicContact CB-CB 4.45Å |
| 9 | R | 94.3 | Very high | 83.8 | Confident | 19 Ų | 19 | 60.7 Ų | 60.7 | 7% | 0.072 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 111.7 | 167.3 | -174.6 | -176.6 | -173.3 | 164.8 | 11.3 | 108.6 | F62 D73 I78 T111 I351 A352 T353 I354 | R9-F62 CarbonylContact C-O 3.54Å; R9-F62 WeakPolarHBondContact CA-O 3.39Å; R9-F62 HydrophobicContact CB-CB 4.44Å; R9-F62 HydrophobicContact CG-CB 4.24Å; R9-D73 PolarHBondContact NH2-O 3.29Å; R9-I78 HydrophobicContact CG-CD1 4.43Å; R9-T111 VanDerWaalsContact CD-OG1 3.31Å; R9-T111 WeakPolarHBondContact CD-OG1 3.42Å; R9-T111 VanDerWaalsContact NH1-CA 3.29Å; R9-T111 VanDerWaalsContact NH1-CB 3.34Å; R9-T111 PolarHBondContact NH1-OG1 3.43Å; R9-I351 HydrophobicContact CB-CG2 4.31Å; R9-A352 PolarHBondContact N-O 3.48Å; R9-T353 HydrophobicContact CB-CG2 4.42Å; R9-T353 WeakPolarHBondContact O-CA 3.24Å; R9-I354 PolarHBondContact O-N 3.3Å |
| 10 | L | 91.3 | Very high | 82.8 | Confident | 7 Ų | 7 | 61.8 Ų | 61.8 | 4% | 0.037 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 123.8 | 169.2 | 179.9 | 66.4 | 0 | 0 | 0 | 108.7 | M26 I28 F62 V65 I354 P356 | L10-M26 HydrophobicContact CD1-CE 3.34Å; L10-M26 HydrophobicContact CD1-SD 4.44Å; L10-M26 HydrophobicContact CD2-CE 3.95Å; L10-M26 HydrophobicContact CG-CE 4.29Å; L10-I28 HydrophobicContact CD2-CD1 3.79Å; L10-F62 PolarHBondContact N-O 3.31Å; L10-V65 HydrophobicContact CD2-CG2 3.78Å; L10-I354 HydrophobicContact CB-CD1 4.47Å; L10-I354 HydrophobicContact CB-CG1 4.22Å; L10-I354 HydrophobicContact CD1-CD1 4.14Å; L10-I354 HydrophobicContact CD1-CG1 3.89Å; L10-P356 HydrophobicContact CD1-CB 3.87Å; L10-P356 HydrophobicContact CD1-CG 4.3Å; L10-P356 HydrophobicContact CD2-CB 4.42Å; L10-P356 HydrophobicContact CG-CB 4.4Å |
| 11 | R | 89.3 | Confident | 81.3 | Confident | 40 Ų | 40 | 66 Ų | 66 | 15% | 0.151 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -74 | 154 | 173.2 | 68.3 | 161.8 | 176.1 | 79 | -3.5 | 111.2 | E17 G105 I354 S355 P356 | R11-E17 IonicContact CZ-OE1 2.7Å; R11-E17 IonicContact CZ-OE2 3.14Å; R11-E17 IonicContact NH1-OE1 2.76Å; R11-E17 IonicContact NH1-OE2 3.32Å; R11-E17 PolarHBondContact NH1-OE2 2.72Å; R11-E17 IonicContact NH2-OE1 3.04Å; R11-E17 PolarHBondContact NH2-OE1 2.91Å; R11-E17 IonicContact NH2-OE2 2.93Å; R11-E17 PolarHBondContact NH2-OE2 3.37Å; R11-G105 VanDerWaalsContact CD-O 3.22Å; R11-G105 WeakPolarHBondContact CD-O 3.29Å; R11-G105 PolarHBondContact NE-O 3.47Å; R11-I354 PolarHBondContact N-O 3.27Å; R11-I354 VanDerWaalsContact N-O 3.15Å; R11-S355 PolarHBondContact NH2-OG 3.32Å; R11-S355 VanDerWaalsContact NH2-OG 3.12Å; R11-P356 VanDerWaalsContact O-CD 3.32Å; R11-P356 WeakPolarHBondContact O-CD 3.39Å; R11-P356 WeakPolarHBondContact O-CG 3.1Å |
| 12 | P | 84.3 | Confident | 80.6 | Confident | 100 Ų | 100 | 62 Ų | 62 | 65% | 0.649 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 142.8 | 170.5 | -24.4 | 34.3 | 0 | 0 | 0 | 112.1 | ||
| 13 | S | 78.6 | Confident | 79.2 | Confident | 29 Ų | 29 | 65.2 Ų | 65.2 | 20% | 0.203 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 133.6 | 172 | -60.2 | 0 | 0 | 0 | 0 | 110.1 | P356 | S13-P356 WeakPolarHBondContact OG-CB 3.22Å; S13-P356 WeakPolarHBondContact OG-CG 3.46Å |
| 14 | T | 78.1 | Confident | 78.1 | Confident | 64 Ų | 64 | 65 Ų | 65 | 39% | 0.393 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 160.6 | 173 | 59.2 | 0 | 0 | 0 | 0 | 110.8 | Q16 E17 F18 | T14-Q16 PolarHBondContact O-N 3.41Å; T14-Q16 VanDerWaalsContact O-N 3.16Å; T14-E17 PolarHBondContact N-OE2 2.88Å; T14-E17 PolarHBondContact O-N 3.14Å; T14-E17 WeakPolarHBondContact OG1-CG 3.38Å; T14-E17 PolarHBondContact OG1-N 2.99Å; T14-E17 PolarHBondContact OG1-OE2 3.46Å; T14-F18 PolarHBondContact O-N 3.21Å |
| 15 | L | 75.9 | Confident | 77.5 | Confident | 148 Ų | 148 | 65.1 Ų | 65.1 | 78% | 0.775 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -54.3 | -35.5 | 177.1 | -72 | 170.2 | 0 | 0 | 0 | 112.8 | N19 | L15-N19 VanDerWaalsContact O-CG 3.25Å; L15-N19 PolarHBondContact O-N 3.47Å; L15-N19 PolarHBondContact O-ND2 3.08Å |
| 16 | Q | 72.3 | Confident | 76.9 | Confident | 130 Ų | 130 | 61.7 Ų | 61.7 | 61% | 0.607 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66.1 | -44.1 | 175.5 | -178.8 | 175.6 | -2.5 | 0 | 0 | 111.8 | T14 F18 N19 E20 | T14-Q16 PolarHBondContact O-N 3.41Å; T14-Q16 VanDerWaalsContact O-N 3.16Å; Q16-F18 VanDerWaalsContact C-N 3.33Å; Q16-F18 PolarHBondContact O-N 3.35Å; Q16-N19 PolarHBondContact O-N 2.9Å; Q16-E20 PolarHBondContact NE2-OE1 2.72Å; Q16-E20 WeakPolarHBondContact O-CG 3.48Å; Q16-E20 PolarHBondContact O-N 3.18Å |
| 17 | E | 76 | Confident | 76.3 | Confident | 18 Ų | 18 | 63.6 Ų | 63.6 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71.5 | -28.5 | -179 | -66.1 | 167.4 | 149.7 | 0 | 0 | 112.5 | R11 T14 N19 S357 | R11-E17 IonicContact CZ-OE1 2.7Å; R11-E17 IonicContact CZ-OE2 3.14Å; R11-E17 IonicContact NH1-OE1 2.76Å; R11-E17 IonicContact NH1-OE2 3.32Å; R11-E17 PolarHBondContact NH1-OE2 2.72Å; R11-E17 IonicContact NH2-OE1 3.04Å; R11-E17 PolarHBondContact NH2-OE1 2.91Å; R11-E17 IonicContact NH2-OE2 2.93Å; R11-E17 PolarHBondContact NH2-OE2 3.37Å; T14-E17 PolarHBondContact N-OE2 2.88Å; T14-E17 PolarHBondContact O-N 3.14Å; T14-E17 WeakPolarHBondContact OG1-CG 3.38Å; T14-E17 PolarHBondContact OG1-N 2.99Å; T14-E17 PolarHBondContact OG1-OE2 3.46Å; E17-N19 VanDerWaalsContact C-N 3.35Å; E17-S357 WeakPolarHBondContact OE1-CB 3.44Å |
| 18 | F | 67.9 | Low | 75.7 | Confident | 92 Ų | 92 | 65.5 Ų | 65.5 | 40% | 0.404 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 169 | -95.8 | -74.2 | 0 | 0 | 0 | 112.4 | T14 Q16 Q67 | T14-F18 PolarHBondContact O-N 3.21Å; Q16-F18 VanDerWaalsContact C-N 3.33Å; Q16-F18 PolarHBondContact O-N 3.35Å; F18-Q67 HydrophobicContact CZ-CG 4.26Å |
| 19 | N | 66.8 | Low | 75.1 | Confident | 135 Ų | 135 | 73 Ų | 73 | 72% | 0.722 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -76.9 | -28.9 | -179.5 | -68.4 | -23.8 | 0 | 0 | 0 | 112.7 | L15 Q16 E17 N21 | L15-N19 VanDerWaalsContact O-CG 3.25Å; L15-N19 PolarHBondContact O-N 3.47Å; L15-N19 PolarHBondContact O-ND2 3.08Å; Q16-N19 PolarHBondContact O-N 2.9Å; E17-N19 VanDerWaalsContact C-N 3.35Å; N19-N21 PolarHBondContact O-N 3.42Å |
| 20 | E | 62.8 | Low | 74.4 | Confident | 82 Ų | 82 | 80.8 Ų | 80.8 | 38% | 0.383 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -68.2 | 83.6 | 167.5 | -72.6 | 177.3 | -168.4 | 0 | 0 | 108.4 | Q16 P22 | Q16-E20 PolarHBondContact NE2-OE1 2.72Å; Q16-E20 WeakPolarHBondContact O-CG 3.48Å; Q16-E20 PolarHBondContact O-N 3.18Å; E20-P22 WeakPolarHBondContact O-CA 3.42Å; E20-P22 VanDerWaalsContact O-CD 3.24Å; E20-P22 WeakPolarHBondContact O-CD 3.37Å |
| 21 | N | 52 | Low | 74.3 | Confident | 150 Ų | 150 | 83.6 Ų | 83.6 | 80% | 0.802 | 42% | 0.422 | S | S | * | . | trans | -20.9 | 95.9 | 177.7 | -103.5 | -24.9 | 0 | 0 | 0 | 111 | N19 K23 | N19-N21 PolarHBondContact O-N 3.42Å; N21-K23 PolarHBondContact O-N 3.06Å | ||
| 22 | P | 53.5 | Low | 74.3 | Confident | 82 Ų | 82 | 85.1 Ų | 85.1 | 53% | 0.532 | 43% | 0.43 | S | S | . | . | trans | -70.5 | 92.8 | -172.7 | 24.8 | -31.5 | 0 | 0 | 0 | 105.5 | E20 H24 | E20-P22 WeakPolarHBondContact O-CA 3.42Å; E20-P22 VanDerWaalsContact O-CD 3.24Å; E20-P22 WeakPolarHBondContact O-CD 3.37Å; P22-H24 VanDerWaalsContact C-N 3.33Å; P22-H24 PolarHBondContact O-N 3.41Å | ||
| 23 | K | 54.7 | Low | 74.6 | Confident | 87 Ų | 87 | 80.3 Ų | 80.3 | 38% | 0.378 | 40% | 0.399 | S | S | . | . | trans | -51.3 | 113.7 | 159.2 | -72.1 | -165.5 | 179.5 | -166.7 | 0 | 103 | N21 Y25 E40 I41 | N21-K23 PolarHBondContact O-N 3.06Å; K23-Y25 PolarHBondContact O-N 3.26Å; K23-E40 IonicContact NZ-OE2 3.32Å; K23-E40 PolarHBondContact NZ-OE2 3.1Å; K23-I41 HydrophobicContact CD-CD1 4.27Å | ||
| 24 | H | 65.6 | Low | 74.9 | Confident | 101 Ų | 101 | 80 Ų | 80 | 47% | 0.468 | 40% | 0.395 | S | S | . | . | trans | -62.1 | 75.8 | -168.7 | -162.4 | 91.1 | 0 | 0 | 0 | 109.2 | P22 T27 | P22-H24 VanDerWaalsContact C-N 3.33Å; P22-H24 PolarHBondContact O-N 3.41Å; H24-T27 PolarHBondContact CD2-OG1 3.16Å; H24-T27 PolarHBondContact NE2-OG1 3.35Å | ||
| 25 | Y | 80 | Confident | 75.4 | Confident | 6 Ų | 6 | 77 Ų | 77 | 2% | 0.024 | 38% | 0.377 | C | S | . | . | trans | -88.2 | -15.1 | -172.4 | 82.2 | -90.7 | 0 | 0 | 0 | 110.8 | K23 L35 I36 S355 P356 S357 Y358 Y361 | K23-Y25 PolarHBondContact O-N 3.26Å; Y25-L35 HydrophobicContact CD2-CD2 4.07Å; Y25-L35 HydrophobicContact CE2-CD2 3.94Å; Y25-L35 CarbonylContact O-C 3.47Å; Y25-L35 VanDerWaalsContact O-CA 3.3Å; Y25-L35 WeakPolarHBondContact O-CA 3.41Å; Y25-I36 WeakPolarHBondContact CB-O 3.38Å; Y25-I36 PolarHBondContact O-N 3.06Å; Y25-S355 PolarHBondContact OH-O 3.4Å; Y25-P356 WeakPolarHBondContact CE1-O 3.14Å; Y25-P356 PolarHBondContact OH-O 2.95Å; Y25-S357 VanDerWaalsContact OH-C 3.23Å; Y25-S357 PolarHBondContact OH-N 3.25Å; Y25-S357 PolarHBondContact OH-O 3Å; Y25-S357 VanDerWaalsContact OH-O 3.12Å; Y25-Y358 AromaticContact CD1-CD2 3.83Å; Y25-Y358 HydrophobicContact CD1-CD2 3.83Å; Y25-Y358 HydrophobicContact CD1-CG 4.26Å; Y25-Y358 HydrophobicContact CD2-CD2 4.26Å; Y25-Y358 VanDerWaalsContact CE1-CA 3.43Å; Y25-Y358 AromaticContact CG-CD2 3.67Å; Y25-Y358 HydrophobicContact CG-CD2 3.67Å; Y25-Y361 AromaticContact CD2-CD2 3.62Å; Y25-Y361 HydrophobicContact CD2-CD2 3.62Å; Y25-Y361 HydrophobicContact CD2-CE2 4.25Å; Y25-Y361 HydrophobicContact CE2-CD2 4.04Å; Y25-Y361 HydrophobicContact CG-CD2 4.48Å | ||
| 26 | M | 83.7 | Confident | 75.6 | Confident | 5 Ų | 5 | 72 Ų | 72 | 3% | 0.025 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 125.8 | 179.8 | -178.1 | 162.3 | 57.7 | 0 | 0 | 109.3 | L10 I33 I34 L35 I354 P356 | L10-M26 HydrophobicContact CD1-CE 3.34Å; L10-M26 HydrophobicContact CD1-SD 4.44Å; L10-M26 HydrophobicContact CD2-CE 3.95Å; L10-M26 HydrophobicContact CG-CE 4.29Å; M26-I33 HydrophobicContact CG-CG2 3.88Å; M26-I33 HydrophobicContact SD-CG2 3.82Å; M26-I34 VanDerWaalsContact CA-O 3.31Å; M26-I34 WeakPolarHBondContact CA-O 3.35Å; M26-L35 HydrophobicContact CB-CD2 3.9Å; M26-L35 HydrophobicContact CG-CD2 3.86Å; M26-L35 HydrophobicContact SD-CD2 3.91Å; M26-I354 HydrophobicContact SD-CD1 3.94Å; M26-P356 HydrophobicContact CE-CB 4.29Å |
| 27 | T | 83.6 | Confident | 75.7 | Confident | 40 Ų | 40 | 67.2 Ų | 67.2 | 25% | 0.245 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 133.6 | 173.1 | -52.3 | 0 | 0 | 0 | 0 | 107.9 | H24 R29 I34 | H24-T27 PolarHBondContact CD2-OG1 3.16Å; H24-T27 PolarHBondContact NE2-OG1 3.35Å; T27-R29 HydrophobicContact CG2-CG 4.43Å; T27-I34 PolarHBondContact N-O 3.02Å; T27-I34 PolarHBondContact O-N 3.47Å |
| 28 | I | 84.7 | Confident | 75.1 | Confident | 41 Ų | 41 | 67.7 Ų | 67.7 | 21% | 0.21 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 126.3 | 176 | -62.6 | 171.3 | 0 | 0 | 0 | 107.6 | L10 I61 G63 V65 | L10-I28 HydrophobicContact CD2-CD1 3.79Å; I28-I61 HydrophobicContact CD1-CG2 3.95Å; I28-I61 HydrophobicContact CG1-CG2 4.49Å; I28-I61 HydrophobicContact CG2-CB 4.35Å; I28-I61 HydrophobicContact CG2-CD1 3.82Å; I28-I61 HydrophobicContact CG2-CG2 4.06Å; I28-G63 WeakPolarHBondContact CD1-O 3.47Å; I28-V65 HydrophobicContact CD1-CG2 4.05Å; I28-V65 HydrophobicContact CG1-CG2 4.23Å |
| 29 | R | 81.8 | Confident | 74.4 | Confident | 156 Ų | 156 | 64 Ų | 64 | 59% | 0.589 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 105.1 | 174.1 | -67.4 | -174.7 | 71.2 | -137.4 | 1 | 108.6 | T27 N31 E32 I34 | T27-R29 HydrophobicContact CG2-CG 4.43Å; R29-N31 PolarHBondContact O-N 3.47Å; R29-E32 PolarHBondContact N-O 3.04Å; R29-E32 PolarHBondContact O-N 3.39Å; R29-I34 VanDerWaalsContact CD-CD1 3.49Å; R29-I34 HydrophobicContact CG-CD1 4.04Å |
| 30 | E | 80.1 | Confident | 73.5 | Confident | 184 Ų | 184 | 64.8 Ų | 64.8 | 86% | 0.86 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | -101.5 | -175.6 | -62.2 | 176.1 | -179.2 | 0 | 0 | 111.4 | ||
| 31 | N | 87.7 | Confident | 72.7 | Confident | 66 Ų | 66 | 64.7 Ų | 64.7 | 35% | 0.353 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 16.9 | -179.3 | -68 | -13.3 | 0 | 0 | 0 | 113.8 | R29 L58 D59 | R29-N31 PolarHBondContact O-N 3.47Å; N31-L58 PolarHBondContact O-N 3.49Å; N31-D59 PolarHBondContact ND2-O 2.89Å; N31-D59 VanDerWaalsContact ND2-O 3.15Å |
| 32 | E | 90.2 | Very high | 72 | Confident | 71 Ų | 71 | 60.3 Ų | 60.3 | 33% | 0.332 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 132.1 | 177.4 | -55.8 | -168.5 | 137.1 | 0 | 0 | 112.1 | R29 T55 F56 P57 | R29-E32 PolarHBondContact N-O 3.04Å; R29-E32 PolarHBondContact O-N 3.39Å; E32-T55 HydrophobicContact CB-CG2 3.9Å; E32-T55 HydrophobicContact CG-CG2 4.26Å; E32-F56 WeakPolarHBondContact CA-O 3.29Å; E32-P57 HydrophobicContact CG-CB 4.26Å |
| 33 | I | 89.6 | Confident | 71.4 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.8 | 169.9 | -58.2 | -179.3 | 0 | 0 | 0 | 108.8 | A8 M26 L35 T55 F56 L58 I61 I354 L368 | A8-I33 HydrophobicContact CB-CD1 3.61Å; M26-I33 HydrophobicContact CG-CG2 3.88Å; M26-I33 HydrophobicContact SD-CG2 3.82Å; I33-L35 HydrophobicContact CG2-CD2 4.14Å; I33-L35 HydrophobicContact CG2-CG 4.38Å; I33-T55 CarbonylContact O-C 3.35Å; I33-T55 WeakPolarHBondContact O-CA 3.48Å; I33-F56 HydrophobicContact CB-CB 4.5Å; I33-F56 PolarHBondContact N-O 3.46Å; I33-F56 PolarHBondContact O-N 3.08Å; I33-L58 HydrophobicContact CD1-CD1 3.85Å; I33-L58 HydrophobicContact CG1-CD1 4.26Å; I33-I61 HydrophobicContact CD1-CD1 4.14Å; I33-I61 HydrophobicContact CD1-CG1 4.35Å; I33-I61 HydrophobicContact CD1-CG2 4.39Å; I33-I61 HydrophobicContact CG1-CD1 3.41Å; I33-I61 VanDerWaalsContact CG1-CD1 3.41Å; I33-I61 HydrophobicContact CG1-CG1 4.14Å; I33-I354 HydrophobicContact CD1-CD1 3.55Å; I33-L368 HydrophobicContact CB-CD1 4.14Å; I33-L368 HydrophobicContact CD1-CD1 4.43Å; I33-L368 HydrophobicContact CD1-CD2 3.83Å; I33-L368 HydrophobicContact CG2-CD1 3.76Å |
| 34 | I | 86.8 | Confident | 70.8 | Confident | 23 Ų | 23 | 65.9 Ų | 65.9 | 12% | 0.118 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 114.3 | 177.3 | -59.3 | 178 | 0 | 0 | 0 | 108.4 | M26 T27 R29 I36 T53 R54 T55 | M26-I34 VanDerWaalsContact CA-O 3.31Å; M26-I34 WeakPolarHBondContact CA-O 3.35Å; T27-I34 PolarHBondContact N-O 3.02Å; T27-I34 PolarHBondContact O-N 3.47Å; R29-I34 VanDerWaalsContact CD-CD1 3.49Å; R29-I34 HydrophobicContact CG-CD1 4.04Å; I34-I36 HydrophobicContact CG2-CG1 4.33Å; I34-T53 HydrophobicContact CG2-CG2 3.31Å; I34-R54 WeakPolarHBondContact CA-O 3.5Å; I34-T55 HydrophobicContact CG1-CG2 4.12Å |
| 35 | L | 86.8 | Confident | 69.6 | Low | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 129.5 | 173.1 | -66.1 | -172.4 | 0 | 0 | 0 | 110.8 | Y25 M26 I33 T53 R54 F56 Y361 T364 L365 L368 | Y25-L35 HydrophobicContact CD2-CD2 4.07Å; Y25-L35 HydrophobicContact CE2-CD2 3.94Å; Y25-L35 CarbonylContact O-C 3.47Å; Y25-L35 VanDerWaalsContact O-CA 3.3Å; Y25-L35 WeakPolarHBondContact O-CA 3.41Å; M26-L35 HydrophobicContact CB-CD2 3.9Å; M26-L35 HydrophobicContact CG-CD2 3.86Å; M26-L35 HydrophobicContact SD-CD2 3.91Å; I33-L35 HydrophobicContact CG2-CD2 4.14Å; I33-L35 HydrophobicContact CG2-CG 4.38Å; L35-T53 CarbonylContact O-C 3.56Å; L35-T53 WeakPolarHBondContact O-CA 3.37Å; L35-R54 PolarHBondContact N-O 3.26Å; L35-R54 PolarHBondContact O-N 2.98Å; L35-F56 HydrophobicContact CB-CE2 4.5Å; L35-F56 HydrophobicContact CD1-CE2 3.99Å; L35-F56 HydrophobicContact CG-CD2 4.46Å; L35-F56 HydrophobicContact CG-CE2 4.26Å; L35-Y361 HydrophobicContact CB-CE2 4.09Å; L35-Y361 HydrophobicContact CD1-CE2 4.37Å; L35-T364 HydrophobicContact CD1-CG2 4.31Å; L35-T364 HydrophobicContact CD2-CG2 4.36Å; L35-L365 HydrophobicContact CD1-CB 4.09Å; L35-L365 HydrophobicContact CD1-CD1 4.05Å; L35-L368 HydrophobicContact CD1-CD1 3.76Å; L35-L368 HydrophobicContact CD2-CD1 4.49Å; L35-L368 HydrophobicContact CG-CD1 4.04Å |
| 36 | I | 81.9 | Confident | 68 | Low | 42 Ų | 42 | 74.8 Ų | 74.8 | 22% | 0.215 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 111.8 | 180 | -56.3 | 171.9 | 0 | 0 | 0 | 108.4 | Y25 I34 S38 I51 T53 | Y25-I36 WeakPolarHBondContact CB-O 3.38Å; Y25-I36 PolarHBondContact O-N 3.06Å; I34-I36 HydrophobicContact CG2-CG1 4.33Å; I36-S38 PolarHBondContact O-N 3.48Å; I36-I51 HydrophobicContact CG2-CG2 4.18Å; I36-T53 HydrophobicContact CG1-CG2 4.32Å |
| 37 | N | 74.5 | Confident | 66.2 | Low | 31 Ų | 31 | 79.4 Ų | 79.4 | 17% | 0.166 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 106.4 | 167.2 | -173 | 5.7 | 0 | 0 | 0 | 108.9 | G39 I51 R52 | N37-G39 PolarHBondContact O-N 3.22Å; N37-I51 VanDerWaalsContact O-CA 3.23Å; N37-I51 WeakPolarHBondContact O-CA 3.29Å; N37-R52 PolarHBondContact N-O 3.11Å |
| 38 | S | 61.7 | Low | 64.4 | Low | 28 Ų | 28 | 80.5 Ų | 80.5 | 20% | 0.196 | 43% | 0.434 | C | S | . | . | trans | -86.8 | 96.2 | 171.4 | -60 | 0 | 0 | 0 | 0 | 107.7 | I36 E40 | I36-S38 PolarHBondContact O-N 3.48Å; S38-E40 PolarHBondContact O-N 3.37Å | ||
| 39 | G | 53.9 | Low | 62.5 | Low | 15 Ų | 15 | 85.1 Ų | 85.1 | 16% | 0.155 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 17.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 118 | N37 H49 | N37-G39 PolarHBondContact O-N 3.22Å; G39-H49 PolarHBondContact O-ND1 3.1Å |
| 40 | E | 48.3 | Very low | 61.3 | Low | 151 Ų | 151 | 87.1 Ų | 87.1 | 71% | 0.706 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 2.6 | -169.3 | -69.6 | -172.3 | 157.5 | 0 | 0 | 116 | K23 S38 | K23-E40 IonicContact NZ-OE2 3.32Å; K23-E40 PolarHBondContact NZ-OE2 3.1Å; S38-E40 PolarHBondContact O-N 3.37Å |
| 41 | I | 45.1 | Very low | 60.3 | Low | 79 Ų | 79 | 84.2 Ų | 84.2 | 41% | 0.405 | 45% | 0.451 | S | S | . | . | trans | -105.5 | 92.3 | -177.9 | -58.5 | 165.7 | 0 | 0 | 0 | 110.4 | K23 Y43 Y358 | K23-I41 HydrophobicContact CD-CD1 4.27Å; I41-Y43 VanDerWaalsContact C-N 3.34Å; I41-Y43 PolarHBondContact O-N 3.2Å; I41-Y358 HydrophobicContact CD1-CD1 4.05Å; I41-Y358 HydrophobicContact CD1-CE1 3.51Å | ||
| 42 | G | 38.8 | Very low | 59.5 | Low | 58 Ų | 58 | 86.6 Ų | 86.6 | 60% | 0.598 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 60 | -175 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 43 | Y | 40.7 | Very low | 59.1 | Low | 221 Ų | 221 | 87.1 Ų | 87.1 | 87% | 0.867 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.6 | 0 | 166.5 | -67.4 | -71.6 | 0 | 0 | 0 | 115.6 | I41 | I41-Y43 VanDerWaalsContact C-N 3.34Å; I41-Y43 PolarHBondContact O-N 3.2Å |
| 44 | A | 41.4 | Very low | 59 | Low | 66 Ų | 66 | 89.8 Ų | 89.8 | 55% | 0.545 | 47% | 0.473 | S | S | . | . | trans | -112.8 | 119.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | V46 | A44-V46 HydrophobicContact CB-CG2 4.2Å; A44-V46 PolarHBondContact O-N 2.98Å | ||
| 45 | L | 41.4 | Very low | 59.2 | Low | 188 Ų | 188 | 91.6 Ų | 91.6 | 98% | 0.984 | 49% | 0.486 | S | S | * | . | trans | -65.2 | 29.4 | 174.3 | -68.3 | 162.6 | 0 | 0 | 0 | 113 | ||||
| 46 | V | 45.2 | Very low | 59.5 | Low | 106 Ų | 106 | 91.6 Ų | 91.6 | 64% | 0.642 | 49% | 0.486 | S | S | * | . | trans | -92.3 | 109.3 | 179.8 | -176.7 | 0 | 0 | 0 | 0 | 107.4 | A44 D48 | A44-V46 HydrophobicContact CB-CG2 4.2Å; A44-V46 PolarHBondContact O-N 2.98Å; V46-D48 PolarHBondContact O-N 3.26Å | ||
| 47 | A | 45.9 | Very low | 60 | Low | 102 Ų | 102 | 92.3 Ų | 92.3 | 84% | 0.843 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -65.9 | 28.3 | -161.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 48 | D | 45 | Very low | 60.9 | Low | 62 Ų | 62 | 91.2 Ų | 91.2 | 33% | 0.332 | 49% | 0.487 | S | S | . | . | trans | -128.4 | 83.9 | -178.2 | -160.2 | 9.8 | 0 | 0 | 0 | 112.7 | V46 R50 | V46-D48 PolarHBondContact O-N 3.26Å; D48-R50 PolarHBondContact O-N 3.45Å; D48-R50 WeakPolarHBondContact OD1-CB 3.48Å; D48-R50 WeakPolarHBondContact OD1-CG 3.42Å; D48-R50 PolarHBondContact OD1-N 2.97Å; D48-R50 IonicContact OD1-NE 3.89Å | ||
| 49 | H | 46.4 | Very low | 62.5 | Low | 139 Ų | 139 | 91.8 Ų | 91.8 | 64% | 0.644 | 49% | 0.488 | S | S | * | . | trans | -75.4 | 5.1 | 173.2 | -65.3 | -67.7 | 0 | 0 | 0 | 113.9 | G39 I51 | G39-H49 PolarHBondContact O-ND1 3.1Å; H49-I51 PolarHBondContact O-N 3.41Å | ||
| 50 | R | 55 | Low | 64.4 | Low | 197 Ų | 197 | 93 Ų | 93 | 74% | 0.743 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -77.1 | 128 | -178.1 | -60.1 | 178.6 | -162.9 | -179.3 | 7.1 | 109.4 | D48 R52 | D48-R50 PolarHBondContact O-N 3.45Å; D48-R50 WeakPolarHBondContact OD1-CB 3.48Å; D48-R50 WeakPolarHBondContact OD1-CG 3.42Å; D48-R50 PolarHBondContact OD1-N 2.97Å; D48-R50 IonicContact OD1-NE 3.89Å; R50-R52 PolarHBondContact O-N 3.26Å |
| 51 | I | 59.6 | Low | 66.4 | Low | 123 Ų | 123 | 86.5 Ų | 86.5 | 63% | 0.631 | 46% | 0.46 | S | S | * | . | trans | -60.2 | 113.6 | 168.3 | -60.8 | 174 | 0 | 0 | 0 | 107.6 | I36 N37 H49 | I36-I51 HydrophobicContact CG2-CG2 4.18Å; N37-I51 VanDerWaalsContact O-CA 3.23Å; N37-I51 WeakPolarHBondContact O-CA 3.29Å; H49-I51 PolarHBondContact O-N 3.41Å | ||
| 52 | R | 70.9 | Confident | 68.6 | Low | 117 Ų | 117 | 82.8 Ų | 82.8 | 44% | 0.442 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 117.5 | 179.9 | -173.7 | 172.6 | 177.3 | 176.4 | 3.6 | 109 | N37 R50 R54 | N37-R52 PolarHBondContact N-O 3.11Å; R50-R52 PolarHBondContact O-N 3.26Å; R52-R54 HydrophobicContact CG-CG 4.19Å |
| 53 | T | 82.4 | Confident | 70.8 | Confident | 82 Ų | 82 | 80.5 Ų | 80.5 | 50% | 0.503 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 132 | 169.4 | -51.4 | 0 | 0 | 0 | 0 | 108.9 | I34 L35 I36 | I34-T53 HydrophobicContact CG2-CG2 3.31Å; L35-T53 CarbonylContact O-C 3.56Å; L35-T53 WeakPolarHBondContact O-CA 3.37Å; I36-T53 HydrophobicContact CG1-CG2 4.32Å |
| 54 | R | 87.4 | Confident | 72.3 | Confident | 55 Ų | 55 | 71.5 Ų | 71.5 | 21% | 0.208 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 124.5 | 175.7 | -62.8 | -175.3 | -176 | -166.9 | 4.7 | 109 | I34 L35 R52 F56 | I34-R54 WeakPolarHBondContact CA-O 3.5Å; L35-R54 PolarHBondContact N-O 3.26Å; L35-R54 PolarHBondContact O-N 2.98Å; R52-R54 HydrophobicContact CG-CG 4.19Å; R54-F56 HydrophobicContact CB-CE2 3.71Å; R54-F56 HydrophobicContact CB-CZ 4.13Å |
| 55 | T | 90.8 | Very high | 73.4 | Confident | 61 Ų | 61 | 70.2 Ų | 70.2 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 133.6 | 178.4 | -52 | 0 | 0 | 0 | 0 | 109.8 | E32 I33 I34 | E32-T55 HydrophobicContact CB-CG2 3.9Å; E32-T55 HydrophobicContact CG-CG2 4.26Å; I33-T55 CarbonylContact O-C 3.35Å; I33-T55 WeakPolarHBondContact O-CA 3.48Å; I34-T55 HydrophobicContact CG1-CG2 4.12Å |
| 56 | F | 93.2 | Very high | 74.3 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 0% | 0.004 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 98.9 | 178.3 | -65.1 | -84.1 | 0 | 0 | 0 | 109.3 | E32 I33 L35 R54 L365 L368 R369 Q372 | E32-F56 WeakPolarHBondContact CA-O 3.29Å; I33-F56 HydrophobicContact CB-CB 4.5Å; I33-F56 PolarHBondContact N-O 3.46Å; I33-F56 PolarHBondContact O-N 3.08Å; L35-F56 HydrophobicContact CB-CE2 4.5Å; L35-F56 HydrophobicContact CD1-CE2 3.99Å; L35-F56 HydrophobicContact CG-CD2 4.46Å; L35-F56 HydrophobicContact CG-CE2 4.26Å; R54-F56 HydrophobicContact CB-CE2 3.71Å; R54-F56 HydrophobicContact CB-CZ 4.13Å; F56-L365 HydrophobicContact CE2-CD1 3.88Å; F56-L365 HydrophobicContact CZ-CD1 3.51Å; F56-L368 HydrophobicContact CB-CB 4.28Å; F56-L368 HydrophobicContact CB-CD1 4.37Å; F56-L368 HydrophobicContact CD1-CB 3.66Å; F56-L368 HydrophobicContact CD2-CB 3.95Å; F56-L368 HydrophobicContact CD2-CD1 3.67Å; F56-L368 HydrophobicContact CD2-CG 4.45Å; F56-L368 HydrophobicContact CE1-CB 3.91Å; F56-L368 HydrophobicContact CE2-CB 4.19Å; F56-L368 HydrophobicContact CE2-CD1 4.15Å; F56-L368 HydrophobicContact CG-CB 3.69Å; F56-L368 HydrophobicContact CG-CD1 4.04Å; F56-L368 HydrophobicContact CG-CG 4.41Å; F56-L368 HydrophobicContact CZ-CB 4.18Å; F56-R369 HydrophobicContact CE1-CG 3.93Å; F56-R369 HydrophobicContact CZ-CG 4.2Å; F56-Q372 HydrophobicContact CD1-CB 4.49Å |
| 57 | P | 92.7 | Very high | 74.9 | Confident | 56 Ų | 56 | 65.7 Ų | 65.7 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 122.2 | 176.4 | 29.9 | -32.9 | 0 | 0 | 0 | 110.7 | E32 | E32-P57 HydrophobicContact CG-CB 4.26Å |
| 58 | L | 93.4 | Very high | 75.3 | Confident | 8 Ų | 8 | 65.8 Ų | 65.8 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | trans | -117.4 | 177.9 | -179.4 | -59.4 | 177.3 | 0 | 0 | 0 | 109.9 | V6 A8 N31 I33 I61 L368 A371 | V6-L58 HydrophobicContact CG1-CD2 3.97Å; A8-L58 HydrophobicContact CB-CD1 3.37Å; N31-L58 PolarHBondContact O-N 3.49Å; I33-L58 HydrophobicContact CD1-CD1 3.85Å; I33-L58 HydrophobicContact CG1-CD1 4.26Å; L58-I61 HydrophobicContact CB-CG1 4.46Å; L58-I61 HydrophobicContact CD1-CG1 4.19Å; L58-L368 HydrophobicContact CD1-CD2 4.22Å; L58-A371 HydrophobicContact CD2-CB 4.22Å | ||
| 59 | D | 94.9 | Very high | 75.7 | Confident | 41 Ų | 41 | 67.3 Ų | 67.3 | 22% | 0.219 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -88.6 | -29.1 | 178.2 | -57.8 | -45.7 | 0 | 0 | 0 | 112.8 | Y5 V6 N31 K375 | Y5-D59 HydrophobicContact CD2-CB 3.66Å; Y5-D59 HydrophobicContact CE1-CB 4.45Å; Y5-D59 HydrophobicContact CE2-CB 3.26Å; Y5-D59 HydrophobicContact CG-CB 4.4Å; V6-D59 PolarHBondContact N-OD2 2.95Å; V6-D59 WeakPolarHBondContact O-CB 3.37Å; V6-D59 PolarHBondContact O-N 3.47Å; N31-D59 PolarHBondContact ND2-O 2.89Å; N31-D59 VanDerWaalsContact ND2-O 3.15Å; D59-K375 VanDerWaalsContact OD1-CE 3.22Å; D59-K375 WeakPolarHBondContact OD1-CE 3.48Å; D59-K375 IonicContact OD1-NZ 2.66Å; D59-K375 PolarHBondContact OD1-NZ 3.48Å |
| 60 | H | 93.5 | Very high | 76.2 | Confident | 40 Ų | 40 | 65.1 Ų | 65.1 | 19% | 0.185 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 153.7 | 171.6 | -167.2 | -93.8 | 0 | 0 | 0 | 110.6 | V7 A8 F62 H81 | V7-H60 CarbonylContact C-O 3.59Å; V7-H60 WeakPolarHBondContact CA-O 3.5Å; V7-H60 HydrophobicContact CB-CB 4.48Å; V7-H60 WeakPolarHBondContact CB-O 3.09Å; V7-H60 HydrophobicContact CG1-CB 3.88Å; A8-H60 PolarHBondContact N-O 3.29Å; H60-F62 AromaticContact CE1-CD1 3.85Å; H60-F62 AromaticContact CE1-CE1 3.62Å; H60-F62 AromaticContact CE1-CZ 3.85Å; H60-F62 AromaticContact ND1-CD1 3.9Å; H60-F62 AromaticContact ND1-CD2 3.81Å; H60-F62 AromaticContact ND1-CE1 3.62Å; H60-F62 AromaticContact ND1-CE2 3.47Å; H60-F62 WeakPolarHBondContact ND1-CE2 3.37Å; H60-F62 AromaticContact ND1-CZ 3.38Å; H60-F62 WeakPolarHBondContact ND1-CZ 3.37Å; H60-H81 AromaticContact CD2-CE1 3.84Å; H60-H81 AromaticContact CD2-NE2 3.86Å; H60-H81 AromaticContact CG-NE2 3.68Å |
| 61 | I | 91.8 | Very high | 76.3 | Confident | 15 Ų | 15 | 62 Ų | 62 | 8% | 0.077 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 121.7 | 175.5 | -57.1 | 166 | 0 | 0 | 0 | 108.6 | A8 I28 I33 L58 | A8-I61 HydrophobicContact CB-CG1 4.41Å; A8-I61 HydrophobicContact CB-CG2 4.4Å; A8-I61 WeakPolarHBondContact O-CA 3.29Å; I28-I61 HydrophobicContact CD1-CG2 3.95Å; I28-I61 HydrophobicContact CG1-CG2 4.49Å; I28-I61 HydrophobicContact CG2-CB 4.35Å; I28-I61 HydrophobicContact CG2-CD1 3.82Å; I28-I61 HydrophobicContact CG2-CG2 4.06Å; I33-I61 HydrophobicContact CD1-CD1 4.14Å; I33-I61 HydrophobicContact CD1-CG1 4.35Å; I33-I61 HydrophobicContact CD1-CG2 4.39Å; I33-I61 HydrophobicContact CG1-CD1 3.41Å; I33-I61 VanDerWaalsContact CG1-CD1 3.41Å; I33-I61 HydrophobicContact CG1-CG1 4.14Å; L58-I61 HydrophobicContact CB-CG1 4.46Å; L58-I61 HydrophobicContact CD1-CG1 4.19Å |
| 62 | F | 91.4 | Very high | 76.6 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 0% | 0.004 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 133 | 165.2 | -56 | -84.1 | 0 | 0 | 0 | 107.5 | V7 A8 R9 L10 H60 N72 I78 H81 I82 | V7-F62 HydrophobicContact CB-CD2 4.46Å; V7-F62 HydrophobicContact CB-CE2 4.1Å; V7-F62 HydrophobicContact CG1-CE2 4.3Å; V7-F62 HydrophobicContact CG2-CE2 4.18Å; A8-F62 PolarHBondContact O-N 2.87Å; R9-F62 CarbonylContact C-O 3.54Å; R9-F62 WeakPolarHBondContact CA-O 3.39Å; R9-F62 HydrophobicContact CB-CB 4.44Å; R9-F62 HydrophobicContact CG-CB 4.24Å; L10-F62 PolarHBondContact N-O 3.31Å; H60-F62 AromaticContact CE1-CD1 3.85Å; H60-F62 AromaticContact CE1-CE1 3.62Å; H60-F62 AromaticContact CE1-CZ 3.85Å; H60-F62 AromaticContact ND1-CD1 3.9Å; H60-F62 AromaticContact ND1-CD2 3.81Å; H60-F62 AromaticContact ND1-CE1 3.62Å; H60-F62 AromaticContact ND1-CE2 3.47Å; H60-F62 WeakPolarHBondContact ND1-CE2 3.37Å; H60-F62 AromaticContact ND1-CZ 3.38Å; H60-F62 WeakPolarHBondContact ND1-CZ 3.37Å; F62-N72 WeakPolarHBondContact CD1-O 3.42Å; F62-I78 HydrophobicContact CD1-CG1 3.73Å; F62-I78 HydrophobicContact CD2-CG1 4.32Å; F62-I78 HydrophobicContact CE1-CG1 3.96Å; F62-I78 HydrophobicContact CG-CG1 3.92Å; F62-I78 HydrophobicContact CZ-CG1 4.36Å; F62-H81 HydrophobicContact CE1-CB 4.12Å; F62-H81 HydrophobicContact CZ-CB 3.79Å; F62-H81 AromaticContact CZ-CD2 3.67Å; F62-H81 AromaticContact CZ-CG 3.86Å; F62-I82 HydrophobicContact CE2-CD1 3.74Å; F62-I82 HydrophobicContact CE2-CG1 4.43Å; F62-I82 HydrophobicContact CZ-CD1 4.13Å; F62-I82 HydrophobicContact CZ-CG1 4.37Å |
| 63 | G | 83.3 | Confident | 76.8 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 10% | 0.103 | 31% | 0.314 | C | S | . | . | trans | 118.6 | 134.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I28 D73 | I28-G63 WeakPolarHBondContact CD1-O 3.47Å; G63-D73 WeakPolarHBondContact CA-OD1 3.36Å; G63-D73 WeakPolarHBondContact CA-OD2 3.3Å; G63-D73 PolarHBondContact N-OD1 3.19Å; G63-D73 PolarHBondContact N-OD2 3.27Å | ||
| 64 | S | 73.5 | Confident | 77.1 | Confident | 32 Ų | 32 | 54.5 Ų | 54.5 | 22% | 0.224 | 31% | 0.305 | C | S | . | . | trans | -112.9 | 139.2 | 157.6 | -175.6 | 0 | 0 | 0 | 0 | 111.2 | D66 D73 | S64-D66 VanDerWaalsContact C-N 3.28Å; S64-D66 PolarHBondContact OG-N 3.16Å; S64-D73 PolarHBondContact N-OD2 2.98Å; S64-D73 VanDerWaalsContact N-OD2 3.16Å | ||
| 65 | V | 63 | Low | 77.4 | Confident | 38 Ų | 38 | 51.9 Ų | 51.9 | 23% | 0.23 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -35.7 | 170.9 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | L10 I28 Q67 | L10-V65 HydrophobicContact CD2-CG2 3.78Å; I28-V65 HydrophobicContact CD1-CG2 4.05Å; I28-V65 HydrophobicContact CG1-CG2 4.23Å; V65-Q67 VanDerWaalsContact C-N 3.3Å; V65-Q67 PolarHBondContact O-N 3.07Å |
| 66 | D | 60.6 | Low | 77.5 | Confident | 111 Ų | 111 | 51 Ų | 51 | 59% | 0.594 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 5 | -176.1 | -63.2 | -27.7 | 0 | 0 | 0 | 113.1 | S64 T68 | S64-D66 VanDerWaalsContact C-N 3.28Å; S64-D66 PolarHBondContact OG-N 3.16Å; D66-T68 HydrophobicContact CB-CG2 4.04Å; D66-T68 PolarHBondContact O-N 2.92Å |
| 67 | Q | 58 | Low | 77.5 | Confident | 89 Ų | 89 | 52.4 Ų | 52.4 | 42% | 0.416 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 51.7 | 11.5 | -175.4 | -62.4 | -168.9 | -7.7 | 0 | 0 | 115.7 | F18 V65 N69 | F18-Q67 HydrophobicContact CZ-CG 4.26Å; V65-Q67 VanDerWaalsContact C-N 3.3Å; V65-Q67 PolarHBondContact O-N 3.07Å; Q67-N69 VanDerWaalsContact C-N 3.27Å; Q67-N69 PolarHBondContact O-N 3.48Å |
| 68 | T | 54.7 | Low | 77.6 | Confident | 103 Ų | 103 | 49.8 Ų | 49.8 | 63% | 0.632 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -21.3 | -175.4 | 49.4 | 0 | 0 | 0 | 0 | 113.8 | D66 | D66-T68 HydrophobicContact CB-CG2 4.04Å; D66-T68 PolarHBondContact O-N 2.92Å |
| 69 | N | 52.5 | Low | 77.8 | Confident | 94 Ų | 94 | 51.5 Ų | 51.5 | 50% | 0.503 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | 62.6 | -178.2 | -76.5 | -18.4 | 0 | 0 | 0 | 111.3 | Q67 D71 N72 | Q67-N69 VanDerWaalsContact C-N 3.27Å; Q67-N69 PolarHBondContact O-N 3.48Å; N69-D71 PolarHBondContact O-N 3.4Å; N69-N72 PolarHBondContact O-N 3.18Å |
| 70 | T | 57.6 | Low | 77.8 | Confident | 94 Ų | 94 | 55.2 Ų | 55.2 | 58% | 0.577 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -59.2 | -30.7 | 179.2 | 50.1 | 0 | 0 | 0 | 0 | 113.5 | N72 D73 | T70-N72 VanDerWaalsContact C-N 3.33Å; T70-N72 PolarHBondContact O-N 3.33Å; T70-D73 PolarHBondContact O-N 3.5Å |
| 71 | D | 57.7 | Low | 77.9 | Confident | 130 Ų | 130 | 56.5 Ų | 56.5 | 70% | 0.695 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -67.1 | -34.2 | -173.1 | -67.2 | -11.7 | 0 | 0 | 0 | 112.7 | N69 D73 S74 | N69-D71 PolarHBondContact O-N 3.4Å; D71-D73 PolarHBondContact O-N 3.23Å; D71-S74 PolarHBondContact O-OG 3.49Å |
| 72 | N | 66.5 | Low | 78.1 | Confident | 84 Ų | 84 | 56.1 Ų | 56.1 | 45% | 0.449 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -68.4 | -19.6 | -179.3 | -79 | -2.1 | 0 | 0 | 0 | 112.6 | F62 N69 T70 S77 | F62-N72 WeakPolarHBondContact CD1-O 3.42Å; N69-N72 PolarHBondContact O-N 3.18Å; T70-N72 VanDerWaalsContact C-N 3.33Å; T70-N72 PolarHBondContact O-N 3.33Å; N72-S77 VanDerWaalsContact O-CB 3.25Å; N72-S77 WeakPolarHBondContact O-CB 3.43Å; N72-S77 PolarHBondContact O-OG 3.06Å |
| 73 | D | 74.5 | Confident | 78.3 | Confident | 36 Ų | 36 | 56 Ų | 56 | 19% | 0.193 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -102.3 | -1.2 | -166 | -55 | -15.2 | 0 | 0 | 0 | 113.4 | R9 G63 S64 T70 D71 | R9-D73 PolarHBondContact NH2-O 3.29Å; G63-D73 WeakPolarHBondContact CA-OD1 3.36Å; G63-D73 WeakPolarHBondContact CA-OD2 3.3Å; G63-D73 PolarHBondContact N-OD1 3.19Å; G63-D73 PolarHBondContact N-OD2 3.27Å; S64-D73 PolarHBondContact N-OD2 2.98Å; S64-D73 VanDerWaalsContact N-OD2 3.16Å; T70-D73 PolarHBondContact O-N 3.5Å; D71-D73 PolarHBondContact O-N 3.23Å |
| 74 | S | 88 | Confident | 79 | Confident | 45 Ų | 45 | 59.9 Ų | 59.9 | 32% | 0.315 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -65.7 | 152.2 | 179.9 | 65.8 | 0 | 0 | 0 | 0 | 112.3 | D71 A76 S77 I78 | D71-S74 PolarHBondContact O-OG 3.49Å; S74-A76 PolarHBondContact O-N 3.28Å; S74-S77 WeakPolarHBondContact O-CB 3.47Å; S74-S77 PolarHBondContact O-N 3.45Å; S74-S77 VanDerWaalsContact O-N 3.14Å; S74-S77 VanDerWaalsContact OG-CB 3.31Å; S74-S77 WeakPolarHBondContact OG-CB 3.31Å; S74-S77 PolarHBondContact OG-N 3.09Å; S74-S77 VanDerWaalsContact OG-N 3.11Å; S74-I78 WeakPolarHBondContact O-CG1 3.48Å; S74-I78 PolarHBondContact O-N 3.3Å |
| 75 | Q | 93.2 | Very high | 80.1 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.1 | -31.6 | 174.2 | -59.8 | -79.5 | 40.4 | 0 | 0 | 112.1 | I78 Y79 H110 D118 P119 | Q75-I78 PolarHBondContact O-N 3.42Å; Q75-Y79 WeakPolarHBondContact O-CB 3.47Å; Q75-Y79 PolarHBondContact O-N 3.34Å; Q75-H110 PolarHBondContact NE2-CE1 2.95Å; Q75-H110 PolarHBondContact NE2-ND1 3.44Å; Q75-H110 VanDerWaalsContact NE2-ND1 3.16Å; Q75-H110 PolarHBondContact NE2-O 2.93Å; Q75-D118 WeakPolarHBondContact CB-OD1 3.32Å; Q75-D118 HydrophobicContact CG-CB 4.48Å; Q75-D118 VanDerWaalsContact CG-OD1 3.31Å; Q75-D118 WeakPolarHBondContact CG-OD1 3.25Å; Q75-D118 WeakPolarHBondContact CG-OD2 3.47Å; Q75-P119 WeakPolarHBondContact CB-O 3.15Å |
| 76 | A | 93.4 | Very high | 81.8 | Confident | 43 Ų | 43 | 59.8 Ų | 59.8 | 36% | 0.355 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S74 Y79 H80 | S74-A76 PolarHBondContact O-N 3.28Å; A76-Y79 PolarHBondContact O-N 2.92Å; A76-H80 WeakPolarHBondContact O-CB 3.45Å; A76-H80 PolarHBondContact O-N 2.96Å |
| 77 | S | 92.9 | Very high | 83.6 | Confident | 29 Ų | 29 | 54.6 Ų | 54.6 | 20% | 0.203 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 174 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | N72 S74 Y79 H80 H81 | N72-S77 VanDerWaalsContact O-CB 3.25Å; N72-S77 WeakPolarHBondContact O-CB 3.43Å; N72-S77 PolarHBondContact O-OG 3.06Å; S74-S77 WeakPolarHBondContact O-CB 3.47Å; S74-S77 PolarHBondContact O-N 3.45Å; S74-S77 VanDerWaalsContact O-N 3.14Å; S74-S77 VanDerWaalsContact OG-CB 3.31Å; S74-S77 WeakPolarHBondContact OG-CB 3.31Å; S74-S77 PolarHBondContact OG-N 3.09Å; S74-S77 VanDerWaalsContact OG-N 3.11Å; S77-Y79 VanDerWaalsContact C-N 3.35Å; S77-Y79 PolarHBondContact O-N 3.41Å; S77-H80 PolarHBondContact O-N 3.24Å; S77-H80 VanDerWaalsContact O-N 3.1Å; S77-H81 PolarHBondContact O-N 3.5Å |
| 78 | I | 95.3 | Very high | 85.5 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 177.9 | -64.2 | 166.4 | 0 | 0 | 0 | 111.3 | R9 F62 S74 Q75 H81 I82 T111 L121 | R9-I78 HydrophobicContact CG-CD1 4.43Å; F62-I78 HydrophobicContact CD1-CG1 3.73Å; F62-I78 HydrophobicContact CD2-CG1 4.32Å; F62-I78 HydrophobicContact CE1-CG1 3.96Å; F62-I78 HydrophobicContact CG-CG1 3.92Å; F62-I78 HydrophobicContact CZ-CG1 4.36Å; S74-I78 WeakPolarHBondContact O-CG1 3.48Å; S74-I78 PolarHBondContact O-N 3.3Å; Q75-I78 PolarHBondContact O-N 3.42Å; I78-H81 PolarHBondContact O-N 2.79Å; I78-I82 HydrophobicContact CG2-CD1 4.5Å; I78-I82 PolarHBondContact O-N 3.17Å; I78-T111 HydrophobicContact CG2-CG2 4.27Å; I78-L121 HydrophobicContact CG2-CD1 4.5Å; I78-L121 HydrophobicContact CG2-CD2 4.16Å; I78-L121 HydrophobicContact CG2-CG 4.45Å |
| 79 | Y | 97.1 | Very high | 87.5 | Confident | 45 Ų | 45 | 49.8 Ų | 49.8 | 18% | 0.176 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -60.9 | -44.4 | 173 | 166.9 | -101.2 | 0 | 0 | 0 | 111.4 | Q75 A76 S77 H81 G83 K84 R124 I125 A128 | Q75-Y79 WeakPolarHBondContact O-CB 3.47Å; Q75-Y79 PolarHBondContact O-N 3.34Å; A76-Y79 PolarHBondContact O-N 2.92Å; S77-Y79 VanDerWaalsContact C-N 3.35Å; S77-Y79 PolarHBondContact O-N 3.41Å; Y79-H81 VanDerWaalsContact C-N 3.34Å; Y79-H81 PolarHBondContact O-N 3.02Å; Y79-G83 CarbonylContact O-C 3.58Å; Y79-G83 WeakPolarHBondContact O-CA 3.42Å; Y79-G83 PolarHBondContact O-N 3.14Å; Y79-K84 PolarHBondContact O-N 2.83Å; Y79-R124 HydrophobicContact CD1-CB 4.45Å; Y79-R124 HydrophobicContact CD2-CB 3.56Å; Y79-R124 HydrophobicContact CE2-CB 3.97Å; Y79-R124 HydrophobicContact CG-CB 3.84Å; Y79-R124 HydrophobicContact CG-CG 4.49Å; Y79-I125 HydrophobicContact CD2-CG1 3.95Å; Y79-I125 HydrophobicContact CE2-CG1 3.82Å; Y79-A128 WeakPolarHBondContact OH-CB 3.42Å |
| 80 | H | 96 | Very high | 89.6 | Confident | 118 Ų | 118 | 45.4 Ų | 45.4 | 55% | 0.546 | 25% | 0.251 | S | S | . | . | I | π-helix | trans | -63.9 | -40 | -179.7 | -166.8 | 87.6 | 0 | 0 | 0 | 112.5 | A76 S77 P85 | A76-H80 WeakPolarHBondContact O-CB 3.45Å; A76-H80 PolarHBondContact O-N 2.96Å; S77-H80 PolarHBondContact O-N 3.24Å; S77-H80 VanDerWaalsContact O-N 3.1Å; H80-P85 WeakPolarHBondContact O-CD 3.46Å |
| 81 | H | 95 | Very high | 91.4 | Very high | 67 Ų | 67 | 42.9 Ų | 42.9 | 31% | 0.31 | 23% | 0.232 | S | C | . | . | I | π-helix | trans | -81.1 | -36.3 | -175.8 | -166.9 | 82.1 | 0 | 0 | 0 | 113.8 | Y5 H60 F62 S77 I78 Y79 P85 | Y5-H81 AromaticContact CZ-NE2 3.88Å; Y5-H81 PolarHBondContact OH-NE2 3Å; H60-H81 AromaticContact CD2-CE1 3.84Å; H60-H81 AromaticContact CD2-NE2 3.86Å; H60-H81 AromaticContact CG-NE2 3.68Å; F62-H81 HydrophobicContact CE1-CB 4.12Å; F62-H81 HydrophobicContact CZ-CB 3.79Å; F62-H81 AromaticContact CZ-CD2 3.67Å; F62-H81 AromaticContact CZ-CG 3.86Å; S77-H81 PolarHBondContact O-N 3.5Å; I78-H81 PolarHBondContact O-N 2.79Å; Y79-H81 VanDerWaalsContact C-N 3.34Å; Y79-H81 PolarHBondContact O-N 3.02Å; H81-P85 WeakPolarHBondContact O-CG 3.32Å |
| 82 | I | 95.7 | Very high | 93.2 | Very high | 7 Ų | 7 | 41.4 Ų | 41.4 | 4% | 0.036 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -115.9 | -44.3 | -175.1 | -58.2 | 174.9 | 0 | 0 | 0 | 111.8 | V7 F62 I78 A86 L98 T349 I351 | V7-I82 HydrophobicContact CB-CD1 4.25Å; V7-I82 HydrophobicContact CG1-CD1 3.92Å; V7-I82 HydrophobicContact CG2-CD1 3.51Å; F62-I82 HydrophobicContact CE2-CD1 3.74Å; F62-I82 HydrophobicContact CE2-CG1 4.43Å; F62-I82 HydrophobicContact CZ-CD1 4.13Å; F62-I82 HydrophobicContact CZ-CG1 4.37Å; I78-I82 HydrophobicContact CG2-CD1 4.5Å; I78-I82 PolarHBondContact O-N 3.17Å; I82-A86 WeakPolarHBondContact O-CB 3.39Å; I82-A86 PolarHBondContact O-N 3.28Å; I82-L98 HydrophobicContact CG2-CD1 4.34Å; I82-L98 HydrophobicContact CG2-CD2 3.71Å; I82-T349 HydrophobicContact CD1-CG2 4.36Å; I82-T349 HydrophobicContact CG2-CG2 3.82Å; I82-I351 HydrophobicContact CD1-CG1 4.3Å |
| 83 | G | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -68.4 | -45.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y79 A86 V87 | Y79-G83 CarbonylContact O-C 3.58Å; Y79-G83 WeakPolarHBondContact O-CA 3.42Å; Y79-G83 PolarHBondContact O-N 3.14Å; G83-A86 WeakPolarHBondContact O-CB 3.25Å; G83-A86 PolarHBondContact O-N 3.44Å; G83-V87 WeakPolarHBondContact O-CG2 3.43Å; G83-V87 PolarHBondContact O-N 2.69Å |
| 84 | K | 97.2 | Very high | 95.6 | Very high | 90 Ų | 90 | 39 Ų | 39 | 39% | 0.391 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.3 | -47.6 | -178.9 | -179.6 | -174.8 | 177.6 | -171 | 0 | 112 | Y79 A86 V87 D88 | Y79-K84 PolarHBondContact O-N 2.83Å; K84-A86 VanDerWaalsContact C-N 3.27Å; K84-A86 PolarHBondContact O-N 2.85Å; K84-V87 WeakPolarHBondContact O-CB 3.49Å; K84-V87 PolarHBondContact O-N 2.86Å; K84-V87 VanDerWaalsContact O-N 3.12Å; K84-D88 PolarHBondContact O-N 3.11Å |
| 85 | P | 97.5 | Very high | 96 | Very high | 62 Ų | 62 | 37.4 Ų | 37.4 | 40% | 0.403 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.3 | -35.2 | 172.6 | -27.6 | 37.2 | 0 | 0 | 0 | 113.8 | H80 H81 D88 S89 | H80-P85 WeakPolarHBondContact O-CD 3.46Å; H81-P85 WeakPolarHBondContact O-CG 3.32Å; P85-D88 PolarHBondContact O-N 3.4Å; P85-S89 WeakPolarHBondContact O-CB 3.41Å; P85-S89 PolarHBondContact O-N 3.44Å; P85-S89 PolarHBondContact O-OG 3.26Å |
| 86 | A | 97.5 | Very high | 96.2 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 6% | 0.058 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.2 | -42.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I82 G83 K84 D88 S89 V90 C96 L98 L246 | I82-A86 WeakPolarHBondContact O-CB 3.39Å; I82-A86 PolarHBondContact O-N 3.28Å; G83-A86 WeakPolarHBondContact O-CB 3.25Å; G83-A86 PolarHBondContact O-N 3.44Å; K84-A86 VanDerWaalsContact C-N 3.27Å; K84-A86 PolarHBondContact O-N 2.85Å; A86-D88 PolarHBondContact O-N 3.1Å; A86-S89 PolarHBondContact O-N 2.84Å; A86-V90 WeakPolarHBondContact O-CB 3.32Å; A86-V90 WeakPolarHBondContact O-CG2 3.46Å; A86-V90 PolarHBondContact O-N 2.98Å; A86-C96 HydrophobicContact CB-CB 4.48Å; A86-L98 HydrophobicContact CB-CD1 4.18Å; A86-L98 HydrophobicContact CB-CD2 4.33Å; A86-L246 HydrophobicContact CB-CD1 4.28Å |
| 87 | V | 98.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.1 | -44.4 | 174.1 | 166 | 0 | 0 | 0 | 0 | 111.3 | G83 K84 V90 K91 I125 A128 L129 | G83-V87 WeakPolarHBondContact O-CG2 3.43Å; G83-V87 PolarHBondContact O-N 2.69Å; K84-V87 WeakPolarHBondContact O-CB 3.49Å; K84-V87 PolarHBondContact O-N 2.86Å; K84-V87 VanDerWaalsContact O-N 3.12Å; V87-V90 PolarHBondContact O-N 3.29Å; V87-K91 HydrophobicContact CG1-CD 4.43Å; V87-K91 VanDerWaalsContact CG1-CE 3.42Å; V87-K91 WeakPolarHBondContact O-CG 3.34Å; V87-K91 PolarHBondContact O-N 3.14Å; V87-K91 VanDerWaalsContact O-N 3.14Å; V87-I125 HydrophobicContact CG2-CB 4.04Å; V87-I125 HydrophobicContact CG2-CG1 3.99Å; V87-I125 HydrophobicContact CG2-CG2 3.55Å; V87-A128 HydrophobicContact CG1-CB 4.38Å; V87-A128 HydrophobicContact CG2-CB 4.39Å; V87-L129 HydrophobicContact CG1-CD2 3.91Å; V87-L129 HydrophobicContact CG1-CG 4.31Å; V87-L129 HydrophobicContact CG2-CG 4.41Å |
| 88 | D | 97.6 | Very high | 96.6 | Very high | 62 Ų | 62 | 34.3 Ų | 34.3 | 33% | 0.332 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67.9 | -41.6 | -179.7 | -65.1 | -26.1 | 0 | 0 | 0 | 111.5 | K84 P85 A86 V90 K91 D92 | K84-D88 PolarHBondContact O-N 3.11Å; P85-D88 PolarHBondContact O-N 3.4Å; A86-D88 PolarHBondContact O-N 3.1Å; D88-V90 VanDerWaalsContact C-N 3.3Å; D88-V90 PolarHBondContact O-N 3.14Å; D88-K91 WeakPolarHBondContact O-CB 3.38Å; D88-K91 PolarHBondContact O-N 3.3Å; D88-K91 IonicContact OD1-NZ 3.67Å; D88-K91 PolarHBondContact OD1-NZ 3.44Å; D88-D92 PolarHBondContact O-N 3.06Å |
| 89 | S | 96.8 | Very high | 96.7 | Very high | 29 Ų | 29 | 34.4 Ų | 34.4 | 20% | 0.203 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.9 | -38.8 | 174.2 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | P85 A86 D92 G93 Y94 C96 | P85-S89 WeakPolarHBondContact O-CB 3.41Å; P85-S89 PolarHBondContact O-N 3.44Å; P85-S89 PolarHBondContact O-OG 3.26Å; A86-S89 PolarHBondContact O-N 2.84Å; S89-D92 PolarHBondContact O-N 3.41Å; S89-G93 PolarHBondContact O-N 3.49Å; S89-Y94 WeakPolarHBondContact O-CB 3.1Å; S89-Y94 PolarHBondContact O-N 3.26Å; S89-C96 WeakPolarHBondContact CB-SG 3.44Å |
| 90 | V | 97.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.1 | -40.5 | 177.7 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | A86 V87 D88 D92 G93 Y94 C96 L129 Y229 S244 L246 | A86-V90 WeakPolarHBondContact O-CB 3.32Å; A86-V90 WeakPolarHBondContact O-CG2 3.46Å; A86-V90 PolarHBondContact O-N 2.98Å; V87-V90 PolarHBondContact O-N 3.29Å; D88-V90 VanDerWaalsContact C-N 3.3Å; D88-V90 PolarHBondContact O-N 3.14Å; V90-D92 VanDerWaalsContact C-N 3.3Å; V90-D92 PolarHBondContact O-N 2.98Å; V90-G93 WeakPolarHBondContact O-CA 3.38Å; V90-G93 PolarHBondContact O-N 3.38Å; V90-G93 VanDerWaalsContact O-N 3.09Å; V90-Y94 WeakPolarHBondContact CA-O 3.27Å; V90-C96 HydrophobicContact CG2-CB 4.05Å; V90-L129 HydrophobicContact CG1-CD2 4.39Å; V90-Y229 HydrophobicContact CG1-CD1 4.27Å; V90-Y229 HydrophobicContact CG1-CG 4Å; V90-S244 WeakPolarHBondContact CG1-OG 3.21Å; V90-S244 WeakPolarHBondContact O-CB 3.35Å; V90-S244 PolarHBondContact O-OG 3.4Å; V90-L246 HydrophobicContact CG2-CB 3.73Å; V90-L246 HydrophobicContact CG2-CD1 4.49Å; V90-L246 HydrophobicContact CG2-CD2 4.27Å; V90-L246 HydrophobicContact CG2-CG 4.38Å |
| 91 | K | 95.5 | Very high | 96.7 | Very high | 42 Ų | 42 | 27.4 Ų | 27.4 | 18% | 0.183 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.3 | -35.6 | 174.3 | -65.7 | 166.8 | -169.5 | 159.6 | 0 | 112.1 | V87 D88 G93 L129 | V87-K91 HydrophobicContact CG1-CD 4.43Å; V87-K91 VanDerWaalsContact CG1-CE 3.42Å; V87-K91 WeakPolarHBondContact O-CG 3.34Å; V87-K91 PolarHBondContact O-N 3.14Å; V87-K91 VanDerWaalsContact O-N 3.14Å; D88-K91 WeakPolarHBondContact O-CB 3.38Å; D88-K91 PolarHBondContact O-N 3.3Å; D88-K91 IonicContact OD1-NZ 3.67Å; D88-K91 PolarHBondContact OD1-NZ 3.44Å; K91-G93 PolarHBondContact O-N 3.36Å; K91-L129 HydrophobicContact CG-CD2 4.46Å |
| 92 | D | 94.6 | Very high | 96.6 | Very high | 98 Ų | 98 | 24.2 Ų | 24.2 | 52% | 0.524 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -70.5 | -13.1 | 175.6 | -69.9 | -21.7 | 0 | 0 | 0 | 112.7 | D88 S89 V90 Y94 R240 | D88-D92 PolarHBondContact O-N 3.06Å; S89-D92 PolarHBondContact O-N 3.41Å; V90-D92 VanDerWaalsContact C-N 3.3Å; V90-D92 PolarHBondContact O-N 2.98Å; D92-Y94 HydrophobicContact CB-CD2 3.93Å; D92-Y94 HydrophobicContact CB-CE2 4.12Å; D92-R240 PolarHBondContact O-NH2 3.44Å |
| 93 | G | 94.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.5 | 11 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S89 V90 K91 N384 | S89-G93 PolarHBondContact O-N 3.49Å; V90-G93 WeakPolarHBondContact O-CA 3.38Å; V90-G93 PolarHBondContact O-N 3.38Å; V90-G93 VanDerWaalsContact O-N 3.09Å; K91-G93 PolarHBondContact O-N 3.36Å; G93-N384 PolarHBondContact O-N 3.42Å; G93-N384 PolarHBondContact O-ND2 3.38Å; G93-N384 VanDerWaalsContact O-ND2 3.07Å |
| 94 | Y | 96.7 | Very high | 96.1 | Very high | 70 Ų | 70 | 27 Ų | 27 | 28% | 0.275 | 14% | 0.141 | S | C | . | . | B | Isolated β-bridge | trans | -84.2 | 147.1 | 174.3 | -64.5 | -80.3 | 0 | 0 | 0 | 111.6 | S89 V90 D92 S244 P381 K382 V383 | S89-Y94 WeakPolarHBondContact O-CB 3.1Å; S89-Y94 PolarHBondContact O-N 3.26Å; V90-Y94 WeakPolarHBondContact CA-O 3.27Å; D92-Y94 HydrophobicContact CB-CD2 3.93Å; D92-Y94 HydrophobicContact CB-CE2 4.12Å; Y94-S244 WeakPolarHBondContact O-CB 3.27Å; Y94-P381 HydrophobicContact CD1-CB 4.02Å; Y94-K382 WeakPolarHBondContact CD1-O 3.09Å; Y94-V383 HydrophobicContact CD1-CG2 4.34Å; Y94-V383 HydrophobicContact CE1-CG2 3.69Å; Y94-V383 HydrophobicContact CE2-CG2 3.86Å; Y94-V383 VanDerWaalsContact CZ-CG2 3.42Å |
| 95 | N | 96.6 | Very high | 95.7 | Very high | 12 Ų | 12 | 25.4 Ų | 25.4 | 6% | 0.064 | 15% | 0.15 | C | C | . | . | trans | -77.8 | 146.4 | 166.4 | -67.7 | -24.6 | 0 | 0 | 0 | 109.7 | K245 N345 A346 H347 N384 | N95-K245 CarbonylContact C-O 3.55Å; N95-K245 VanDerWaalsContact CA-O 3.23Å; N95-K245 WeakPolarHBondContact CA-O 2.94Å; N95-K245 PolarHBondContact OD1-N 3.13Å; N95-N345 VanDerWaalsContact CB-O 3.23Å; N95-N345 WeakPolarHBondContact CB-O 3.22Å; N95-N345 PolarHBondContact ND2-ND2 3.46Å; N95-N345 PolarHBondContact ND2-O 2.98Å; N95-A346 HydrophobicContact CB-CB 4.26Å; N95-A346 CarbonylContact O-C 3.56Å; N95-A346 VanDerWaalsContact O-CA 3.31Å; N95-A346 WeakPolarHBondContact O-CA 3.25Å; N95-H347 PolarHBondContact O-N 2.87Å; N95-N384 PolarHBondContact N-ND2 3.5Å; N95-N384 PolarHBondContact ND2-ND2 3.43Å; N95-N384 PolarHBondContact OD1-ND2 2.91Å | ||
| 96 | C | 97.5 | Very high | 95.4 | Very high | 5 Ų | 5 | 22.5 Ų | 22.5 | 3% | 0.034 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 151.4 | 179.5 | -73.5 | 0 | 0 | 0 | 0 | 111.3 | A86 S89 V90 K245 L246 C247 H347 | A86-C96 HydrophobicContact CB-CB 4.48Å; S89-C96 WeakPolarHBondContact CB-SG 3.44Å; V90-C96 HydrophobicContact CG2-CB 4.05Å; C96-K245 PolarHBondContact N-O 2.89Å; C96-L246 HydrophobicContact CB-CD1 3.39Å; C96-L246 WeakPolarHBondContact O-CA 3.04Å; C96-C247 PolarHBondContact O-N 3.25Å; C96-H347 CarbonylContact C-O 3.5Å; C96-H347 VanDerWaalsContact CA-O 3.23Å; C96-H347 WeakPolarHBondContact CA-O 3.3Å |
| 97 | S | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 124.9 | 177.7 | -170.2 | 0 | 0 | 0 | 0 | 110.8 | C247 I249 S341 H347 T348 T349 | S97-C247 CarbonylContact C-O 3.59Å; S97-C247 VanDerWaalsContact CA-O 3.3Å; S97-C247 WeakPolarHBondContact CA-O 3.35Å; S97-I249 WeakPolarHBondContact OG-CD1 3.26Å; S97-S341 VanDerWaalsContact CB-OG 3.29Å; S97-S341 WeakPolarHBondContact CB-OG 3.48Å; S97-S341 WeakPolarHBondContact OG-CB 3.41Å; S97-S341 PolarHBondContact OG-OG 3.01Å; S97-H347 PolarHBondContact N-O 2.95Å; S97-T348 CarbonylContact O-C 3.54Å; S97-T348 VanDerWaalsContact O-CA 3.27Å; S97-T348 WeakPolarHBondContact O-CA 3.46Å; S97-T349 PolarHBondContact O-N 3.44Å |
| 98 | L | 98.3 | Very high | 95 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 116.4 | 178.6 | -53.9 | -179.8 | 0 | 0 | 0 | 107.7 | I82 A86 L121 I125 L246 C247 L248 I249 T349 | I82-L98 HydrophobicContact CG2-CD1 4.34Å; I82-L98 HydrophobicContact CG2-CD2 3.71Å; A86-L98 HydrophobicContact CB-CD1 4.18Å; A86-L98 HydrophobicContact CB-CD2 4.33Å; L98-L121 HydrophobicContact CD1-CD1 4.46Å; L98-I125 HydrophobicContact CD1-CD1 3.9Å; L98-L246 HydrophobicContact CD1-CD1 4.46Å; L98-L246 HydrophobicContact CG-CD1 4.32Å; L98-C247 PolarHBondContact N-O 3.37Å; L98-L248 HydrophobicContact CD1-CD2 4.05Å; L98-L248 HydrophobicContact CD1-CG 4.49Å; L98-L248 CarbonylContact O-C 3.41Å; L98-L248 WeakPolarHBondContact O-CA 3.46Å; L98-I249 PolarHBondContact O-N 3.49Å; L98-T349 WeakPolarHBondContact CA-O 3.37Å; L98-T349 HydrophobicContact CD2-CG2 4.4Å |
| 99 | F | 96.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 132.3 | 178.3 | 66.9 | -91.7 | 0 | 0 | 0 | 112.8 | L4 I249 L251 L342 T348 T349 M350 I351 | L4-F99 HydrophobicContact CD2-CE1 4.29Å; L4-F99 HydrophobicContact CD2-CZ 4.16Å; F99-I249 WeakPolarHBondContact CA-O 3.4Å; F99-I249 HydrophobicContact CB-CB 3.68Å; F99-I249 HydrophobicContact CB-CD1 3.82Å; F99-I249 HydrophobicContact CB-CG1 4.37Å; F99-I249 HydrophobicContact CB-CG2 4.22Å; F99-L251 HydrophobicContact CD2-CD1 3.97Å; F99-L342 HydrophobicContact CE1-CD2 4.14Å; F99-L342 HydrophobicContact CZ-CD2 4.32Å; F99-T348 HydrophobicContact CD1-CG2 3.89Å; F99-T348 HydrophobicContact CE1-CG2 3.5Å; F99-T349 PolarHBondContact N-O 3.35Å; F99-M350 HydrophobicContact CD2-CB 4.47Å; F99-M350 HydrophobicContact CD2-CG 4.15Å; F99-M350 HydrophobicContact CE1-CB 4.11Å; F99-M350 HydrophobicContact CE2-CB 3.78Å; F99-M350 HydrophobicContact CE2-CG 3.46Å; F99-M350 VanDerWaalsContact CE2-CG 3.46Å; F99-M350 HydrophobicContact CE2-SD 3.96Å; F99-M350 HydrophobicContact CZ-CB 3.58Å; F99-M350 HydrophobicContact CZ-CG 3.78Å; F99-M350 HydrophobicContact CZ-SD 4.22Å; F99-I351 PolarHBondContact O-N 3.35Å |
| 100 | A | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 129 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | K108 I112 I249 L251 I351 | A100-K108 HydrophobicContact CB-CB 3.92Å; A100-K108 HydrophobicContact CB-CG 4.12Å; A100-I112 HydrophobicContact CB-CD1 4.06Å; A100-I112 HydrophobicContact CB-CG1 3.79Å; A100-I249 PolarHBondContact N-O 2.89Å; A100-L251 WeakPolarHBondContact O-CB 3.22Å; A100-L251 PolarHBondContact O-N 3.01Å; A100-I351 WeakPolarHBondContact CA-O 3.49Å |
| 101 | Y | 96.1 | Very high | 94.6 | Very high | 15 Ų | 15 | 25.6 Ų | 25.6 | 6% | 0.059 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 137.7 | -177.6 | -179.2 | -88.4 | 0 | 0 | 0 | 111.3 | L251 L276 M350 I351 A352 T353 T367 Y370 | Y101-L251 HydrophobicContact CD2-CD1 3.77Å; Y101-L251 HydrophobicContact CG-CD1 4.47Å; Y101-L276 HydrophobicContact CE2-CD2 4.12Å; Y101-M350 HydrophobicContact CD1-CE 3.71Å; Y101-M350 HydrophobicContact CG-CE 3.97Å; Y101-I351 PolarHBondContact N-O 2.97Å; Y101-A352 CarbonylContact O-C 3.56Å; Y101-A352 WeakPolarHBondContact O-CA 3.45Å; Y101-T353 PolarHBondContact O-N 3.24Å; Y101-T353 PolarHBondContact O-OG1 3.31Å; Y101-T367 HydrophobicContact CD1-CG2 4.05Å; Y101-T367 HydrophobicContact CE1-CG2 4.34Å; Y101-Y370 AromaticContact CD1-CD1 3.95Å; Y101-Y370 HydrophobicContact CD1-CD1 3.95Å; Y101-Y370 HydrophobicContact CD1-CE1 4.24Å; Y101-Y370 HydrophobicContact CD1-CG 4.35Å; Y101-Y370 HydrophobicContact CD2-CE1 4.19Å; Y101-Y370 AromaticContact CE1-CD1 3.88Å; Y101-Y370 HydrophobicContact CE1-CD1 3.88Å; Y101-Y370 HydrophobicContact CE1-CD2 4.23Å; Y101-Y370 HydrophobicContact CE1-CE1 4.33Å; Y101-Y370 AromaticContact CE1-CG 3.81Å; Y101-Y370 HydrophobicContact CE1-CG 3.81Å; Y101-Y370 HydrophobicContact CE2-CD2 4.44Å; Y101-Y370 HydrophobicContact CE2-CE1 4.24Å; Y101-Y370 HydrophobicContact CE2-CE2 4.12Å; Y101-Y370 HydrophobicContact CG-CD1 4.36Å; Y101-Y370 HydrophobicContact CG-CE1 4.19Å; Y101-Y370 AromaticContact CZ-CD2 3.9Å; Y101-Y370 AromaticContact CZ-CG 3.96Å |
| 102 | G | 94.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 154.6 | 177.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K108 S254 | G102-K108 WeakPolarHBondContact O-CD 3.43Å; G102-K108 WeakPolarHBondContact O-CE 3.32Å; G102-K108 PolarHBondContact O-NZ 3.09Å; G102-S254 PolarHBondContact O-N 3.45Å; G102-S254 VanDerWaalsContact O-N 3.11Å; G102-S254 PolarHBondContact O-OG 3.38Å |
| 103 | M | 91.6 | Very high | 94.8 | Very high | 6 Ų | 6 | 19.6 Ų | 19.6 | 3% | 0.03 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -69.4 | 163.3 | -178.5 | 80.3 | -169.7 | 90.7 | 0 | 0 | 112.2 | T106 K108 S254 E255 Y360 E363 | M103-T106 HydrophobicContact CE-CG2 3.86Å; M103-T106 HydrophobicContact CG-CG2 3.43Å; M103-T106 VanDerWaalsContact CG-CG2 3.43Å; M103-T106 PolarHBondContact O-N 3.17Å; M103-T106 PolarHBondContact O-OG1 2.87Å; M103-T106 HydrophobicContact SD-CG2 4.12Å; M103-K108 VanDerWaalsContact C-NZ 3.25Å; M103-K108 PolarHBondContact O-NZ 3.42Å; M103-S254 PolarHBondContact N-OG 3.42Å; M103-S254 VanDerWaalsContact N-OG 3.11Å; M103-E255 VanDerWaalsContact CA-OE2 3.26Å; M103-E255 WeakPolarHBondContact CA-OE2 3.41Å; M103-E255 HydrophobicContact CB-CB 4.43Å; M103-Y360 VanDerWaalsContact CE-CB 3.5Å; M103-Y360 HydrophobicContact CE-CG 4.21Å; M103-Y360 WeakPolarHBondContact SD-CB 3.46Å; M103-Y360 HydrophobicContact SD-CD1 3.57Å; M103-Y360 VanDerWaalsContact SD-CD1 3.57Å; M103-Y360 HydrophobicContact SD-CD2 4.31Å; M103-Y360 HydrophobicContact SD-CE1 4.35Å; M103-Y360 HydrophobicContact SD-CG 3.53Å; M103-Y360 VanDerWaalsContact SD-CG 3.53Å; M103-E363 HydrophobicContact CB-CB 4.3Å; M103-E363 HydrophobicContact CE-CB 3.5Å; M103-E363 VanDerWaalsContact CE-CB 3.5Å; M103-E363 HydrophobicContact SD-CB 3.89Å; M103-E363 HydrophobicContact SD-CG 4.43Å |
| 104 | T | 89.8 | Confident | 94.7 | Very high | 59 Ų | 59 | 20.6 Ų | 20.6 | 36% | 0.362 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 139 | 173.5 | -64.4 | 0 | 0 | 0 | 0 | 112.2 | T106 S219 E255 | T104-T106 VanDerWaalsContact C-N 3.34Å; T104-T106 PolarHBondContact O-N 3.4Å; T104-S219 WeakPolarHBondContact OG1-CB 3.28Å; T104-E255 WeakPolarHBondContact CB-OE1 3.35Å; T104-E255 PolarHBondContact N-OE2 3.44Å; T104-E255 PolarHBondContact OG1-OE1 3.08Å; T104-E255 PolarHBondContact OG1-OE2 2.92Å |
| 105 | G | 87.7 | Confident | 94.3 | Very high | 57 Ų | 57 | 19.6 Ų | 19.6 | 59% | 0.588 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | 6.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | R11 | R11-G105 VanDerWaalsContact CD-O 3.22Å; R11-G105 WeakPolarHBondContact CD-O 3.29Å; R11-G105 PolarHBondContact NE-O 3.47Å |
| 106 | T | 91 | Very high | 93.9 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -86.8 | -4.9 | 173.2 | 51.1 | 0 | 0 | 0 | 0 | 114.5 | M103 T104 T353 | M103-T106 HydrophobicContact CE-CG2 3.86Å; M103-T106 HydrophobicContact CG-CG2 3.43Å; M103-T106 VanDerWaalsContact CG-CG2 3.43Å; M103-T106 PolarHBondContact O-N 3.17Å; M103-T106 PolarHBondContact O-OG1 2.87Å; M103-T106 HydrophobicContact SD-CG2 4.12Å; T104-T106 VanDerWaalsContact C-N 3.34Å; T104-T106 PolarHBondContact O-N 3.4Å; T106-T353 WeakPolarHBondContact CB-O 3.47Å; T106-T353 WeakPolarHBondContact OG1-CB 3.37Å; T106-T353 PolarHBondContact OG1-O 3.43Å; T106-T353 PolarHBondContact OG1-OG1 3.42Å |
| 107 | G | 91.9 | Very high | 93.5 | Very high | 20 Ų | 20 | 34.5 Ų | 34.5 | 21% | 0.206 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 101.1 | 21.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | H110 T111 | G107-H110 PolarHBondContact O-N 3.45Å; G107-T111 WeakPolarHBondContact O-CB 3.43Å; G107-T111 PolarHBondContact O-N 3.48Å; G107-T111 PolarHBondContact O-OG1 3Å |
| 108 | K | 95.6 | Very high | 93.3 | Very high | 10 Ų | 10 | 37 Ų | 37 | 4% | 0.043 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.7 | -62.8 | 172.9 | -62.8 | -174 | -63.8 | -69.6 | 0 | 112.6 | A100 G102 M103 H110 T111 I112 D250 L251 T353 | A100-K108 HydrophobicContact CB-CB 3.92Å; A100-K108 HydrophobicContact CB-CG 4.12Å; G102-K108 WeakPolarHBondContact O-CD 3.43Å; G102-K108 WeakPolarHBondContact O-CE 3.32Å; G102-K108 PolarHBondContact O-NZ 3.09Å; M103-K108 VanDerWaalsContact C-NZ 3.25Å; M103-K108 PolarHBondContact O-NZ 3.42Å; K108-H110 VanDerWaalsContact C-N 3.28Å; K108-H110 PolarHBondContact O-N 3.32Å; K108-T111 WeakPolarHBondContact O-CB 3.4Å; K108-T111 PolarHBondContact O-N 3.34Å; K108-I112 WeakPolarHBondContact O-CG1 3.44Å; K108-I112 PolarHBondContact O-N 2.86Å; K108-D250 VanDerWaalsContact CB-OD1 3.28Å; K108-D250 WeakPolarHBondContact CB-OD1 3.21Å; K108-L251 WeakPolarHBondContact CD-O 3.37Å; K108-L251 WeakPolarHBondContact CE-O 3.33Å; K108-T353 HydrophobicContact CG-CG2 4.17Å; K108-T353 WeakPolarHBondContact CG-OG1 3.48Å |
| 109 | T | 93.9 | Very high | 93.1 | Very high | 55 Ų | 55 | 38.6 Ų | 38.6 | 34% | 0.337 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.2 | -39 | 178.6 | -46.9 | 0 | 0 | 0 | 0 | 111.5 | T111 I112 F113 G114 D250 | T109-T111 VanDerWaalsContact C-N 3.35Å; T109-T111 PolarHBondContact O-N 2.89Å; T109-I112 PolarHBondContact O-N 3.22Å; T109-F113 HydrophobicContact CG2-CD2 3.83Å; T109-F113 WeakPolarHBondContact O-CB 3.4Å; T109-F113 PolarHBondContact O-N 2.99Å; T109-G114 PolarHBondContact O-N 2.9Å; T109-D250 WeakPolarHBondContact CB-OD2 3.36Å; T109-D250 PolarHBondContact N-OD1 3.45Å; T109-D250 PolarHBondContact OG1-OD1 3.39Å; T109-D250 PolarHBondContact OG1-OD2 2.92Å |
| 110 | H | 94.1 | Very high | 93.1 | Very high | 80 Ų | 80 | 38.5 Ų | 38.5 | 37% | 0.37 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.6 | -45.5 | 173 | -175.8 | -101.5 | 0 | 0 | 0 | 111.1 | Q75 G107 K108 I112 G114 | Q75-H110 PolarHBondContact NE2-CE1 2.95Å; Q75-H110 PolarHBondContact NE2-ND1 3.44Å; Q75-H110 VanDerWaalsContact NE2-ND1 3.16Å; Q75-H110 PolarHBondContact NE2-O 2.93Å; G107-H110 PolarHBondContact O-N 3.45Å; K108-H110 VanDerWaalsContact C-N 3.28Å; K108-H110 PolarHBondContact O-N 3.32Å; H110-I112 PolarHBondContact O-N 3.31Å; H110-G114 WeakPolarHBondContact O-CA 3.46Å; H110-G114 PolarHBondContact O-N 3.49Å |
| 111 | T | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.3 | -41.3 | 178.7 | -51.7 | 0 | 0 | 0 | 0 | 112.8 | R9 I78 G107 K108 T109 L121 I351 | R9-T111 VanDerWaalsContact CD-OG1 3.31Å; R9-T111 WeakPolarHBondContact CD-OG1 3.42Å; R9-T111 VanDerWaalsContact NH1-CA 3.29Å; R9-T111 VanDerWaalsContact NH1-CB 3.34Å; R9-T111 PolarHBondContact NH1-OG1 3.43Å; I78-T111 HydrophobicContact CG2-CG2 4.27Å; G107-T111 WeakPolarHBondContact O-CB 3.43Å; G107-T111 PolarHBondContact O-N 3.48Å; G107-T111 PolarHBondContact O-OG1 3Å; K108-T111 WeakPolarHBondContact O-CB 3.4Å; K108-T111 PolarHBondContact O-N 3.34Å; T109-T111 VanDerWaalsContact C-N 3.35Å; T109-T111 PolarHBondContact O-N 2.89Å; T111-L121 HydrophobicContact CG2-CD1 4.07Å; T111-L121 WeakPolarHBondContact O-CG 3.23Å; T111-L121 PolarHBondContact O-N 3.49Å; T111-I351 HydrophobicContact CG2-CD1 4.13Å; T111-I351 HydrophobicContact CG2-CG2 4.36Å |
| 112 | I | 97.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -81.7 | -48.2 | -173 | -61.2 | -69.9 | 0 | 0 | 0 | 111.6 | A100 K108 T109 H110 L121 I122 L248 D250 | A100-I112 HydrophobicContact CB-CD1 4.06Å; A100-I112 HydrophobicContact CB-CG1 3.79Å; K108-I112 WeakPolarHBondContact O-CG1 3.44Å; K108-I112 PolarHBondContact O-N 2.86Å; T109-I112 PolarHBondContact O-N 3.22Å; H110-I112 PolarHBondContact O-N 3.31Å; I112-L121 HydrophobicContact CD1-CD1 4.24Å; I112-L121 PolarHBondContact O-N 3.01Å; I112-I122 HydrophobicContact CG2-CD1 3.48Å; I112-I122 VanDerWaalsContact CG2-CD1 3.48Å; I112-I122 HydrophobicContact CG2-CG1 3.82Å; I112-I122 WeakPolarHBondContact O-CB 3.24Å; I112-I122 WeakPolarHBondContact O-CG1 3.49Å; I112-I122 PolarHBondContact O-N 3.41Å; I112-L248 HydrophobicContact CG2-CB 4.45Å; I112-D250 HydrophobicContact CB-CB 4.36Å; I112-D250 HydrophobicContact CG1-CB 4.35Å; I112-D250 HydrophobicContact CG2-CB 4.31Å |
| 113 | F | 95.8 | Very high | 93.3 | Very high | 13 Ų | 13 | 39 Ų | 39 | 6% | 0.057 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -46.1 | -178.7 | -71.5 | -89.3 | 0 | 0 | 0 | 112.9 | T109 G120 I122 P123 F149 I200 I204 V223 D250 | T109-F113 HydrophobicContact CG2-CD2 3.83Å; T109-F113 WeakPolarHBondContact O-CB 3.4Å; T109-F113 PolarHBondContact O-N 2.99Å; F113-G120 WeakPolarHBondContact O-CA 3.4Å; F113-G120 PolarHBondContact O-N 3.22Å; F113-I122 HydrophobicContact CD1-CD1 4.17Å; F113-I122 HydrophobicContact CE1-CD1 3.92Å; F113-I122 HydrophobicContact CE2-CD1 4.34Å; F113-I122 HydrophobicContact CG-CD1 4.49Å; F113-I122 HydrophobicContact CZ-CD1 4Å; F113-P123 WeakPolarHBondContact O-CG 3.23Å; F113-F149 AromaticContact CE1-CE1 3.83Å; F113-F149 HydrophobicContact CE1-CE1 3.83Å; F113-F149 HydrophobicContact CZ-CE1 4.09Å; F113-I200 HydrophobicContact CD1-CG2 4.22Å; F113-I204 HydrophobicContact CD1-CD1 3.91Å; F113-I204 HydrophobicContact CD1-CG1 4.03Å; F113-I204 HydrophobicContact CE1-CD1 4.45Å; F113-I204 HydrophobicContact CE1-CG1 4.09Å; F113-V223 HydrophobicContact CE2-CG1 4.48Å; F113-V223 HydrophobicContact CZ-CG1 4.03Å; F113-D250 HydrophobicContact CE2-CB 4.19Å |
| 114 | G | 92.4 | Very high | 93.6 | Very high | 21 Ų | 21 | 41.4 Ų | 41.4 | 22% | 0.216 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | 80.8 | -169.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T109 H110 D118 | T109-G114 PolarHBondContact O-N 2.9Å; H110-G114 WeakPolarHBondContact O-CA 3.46Å; H110-G114 PolarHBondContact O-N 3.49Å; G114-D118 WeakPolarHBondContact CA-O 3.48Å |
| 115 | S | 89.6 | Confident | 94 | Very high | 49 Ų | 49 | 38.6 Ų | 38.6 | 34% | 0.343 | 22% | 0.22 | S | C | . | . | trans | -103 | 177.2 | 165.9 | 78.9 | 0 | 0 | 0 | 0 | 110.5 | E117 D118 | S115-E117 VanDerWaalsContact C-N 3.28Å; S115-E117 WeakPolarHBondContact CB-OE2 3.42Å; S115-E117 PolarHBondContact OG-N 3.38Å; S115-E117 PolarHBondContact OG-OE2 2.95Å; S115-D118 PolarHBondContact N-O 2.97Å; S115-D118 CarbonylContact O-C 3.36Å; S115-D118 PolarHBondContact OG-N 3.29Å | ||
| 116 | E | 86.8 | Confident | 94.4 | Very high | 172 Ų | 172 | 35.9 Ų | 35.9 | 80% | 0.804 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -64.5 | -36.1 | 174.1 | -66.2 | -176 | -174.6 | 0 | 0 | 111.4 | ||
| 117 | E | 89.6 | Confident | 94.6 | Very high | 158 Ų | 158 | 39.7 Ų | 39.7 | 74% | 0.738 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -80.5 | -38.4 | 178.5 | -49 | 83.7 | 176.7 | 0 | 0 | 112.8 | S115 P119 | S115-E117 VanDerWaalsContact C-N 3.28Å; S115-E117 WeakPolarHBondContact CB-OE2 3.42Å; S115-E117 PolarHBondContact OG-N 3.38Å; S115-E117 PolarHBondContact OG-OE2 2.95Å; E117-P119 WeakPolarHBondContact O-CD 3.25Å |
| 118 | D | 92.3 | Very high | 94.9 | Very high | 53 Ų | 53 | 39.7 Ų | 39.7 | 28% | 0.283 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -122.1 | 83.4 | 179 | -168.4 | 18.4 | 0 | 0 | 0 | 111.4 | Q75 G114 S115 R124 | Q75-D118 WeakPolarHBondContact CB-OD1 3.32Å; Q75-D118 HydrophobicContact CG-CB 4.48Å; Q75-D118 VanDerWaalsContact CG-OD1 3.31Å; Q75-D118 WeakPolarHBondContact CG-OD1 3.25Å; Q75-D118 WeakPolarHBondContact CG-OD2 3.47Å; G114-D118 WeakPolarHBondContact CA-O 3.48Å; S115-D118 PolarHBondContact N-O 2.97Å; S115-D118 CarbonylContact O-C 3.36Å; S115-D118 PolarHBondContact OG-N 3.29Å; D118-R124 IonicContact OD1-NH2 3.85Å; D118-R124 PolarHBondContact OD1-NH2 3.37Å; D118-R124 VanDerWaalsContact OD1-NH2 3.16Å |
| 119 | P | 95.1 | Very high | 94.9 | Very high | 36 Ų | 36 | 39.2 Ų | 39.2 | 23% | 0.234 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -63.9 | 143.2 | -175.1 | 22.4 | -31.7 | 0 | 0 | 0 | 111.9 | Q75 E117 P123 R124 | Q75-P119 WeakPolarHBondContact CB-O 3.15Å; E117-P119 WeakPolarHBondContact O-CD 3.25Å; P119-P123 HydrophobicContact CB-CB 4.06Å; P119-P123 HydrophobicContact CB-CG 3.55Å; P119-R124 HydrophobicContact CB-CG 4.42Å; P119-R124 HydrophobicContact CG-CG 4.42Å; P119-R124 PolarHBondContact O-NE 2.78Å; P119-R124 PolarHBondContact O-NH2 3.06Å |
| 120 | G | 95.9 | Very high | 95 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | trans | -87 | -158.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F113 P123 R124 | F113-G120 WeakPolarHBondContact O-CA 3.4Å; F113-G120 PolarHBondContact O-N 3.22Å; G120-P123 WeakPolarHBondContact O-CG 3.42Å; G120-R124 WeakPolarHBondContact O-CB 3.3Å; G120-R124 VanDerWaalsContact O-CG 3.28Å; G120-R124 WeakPolarHBondContact O-CG 3.3Å; G120-R124 PolarHBondContact O-N 2.8Å | ||
| 121 | L | 98.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.7 | -47.6 | -178 | -73.4 | 172.7 | 0 | 0 | 0 | 113.4 | I78 L98 T111 I112 R124 I125 L248 I351 | I78-L121 HydrophobicContact CG2-CD1 4.5Å; I78-L121 HydrophobicContact CG2-CD2 4.16Å; I78-L121 HydrophobicContact CG2-CG 4.45Å; L98-L121 HydrophobicContact CD1-CD1 4.46Å; T111-L121 HydrophobicContact CG2-CD1 4.07Å; T111-L121 WeakPolarHBondContact O-CG 3.23Å; T111-L121 PolarHBondContact O-N 3.49Å; I112-L121 HydrophobicContact CD1-CD1 4.24Å; I112-L121 PolarHBondContact O-N 3.01Å; L121-R124 PolarHBondContact O-N 3.39Å; L121-I125 HydrophobicContact CB-CD1 4.11Å; L121-I125 HydrophobicContact CD2-CD1 4.32Å; L121-I125 VanDerWaalsContact O-CB 3.25Å; L121-I125 WeakPolarHBondContact O-CB 3.46Å; L121-I125 WeakPolarHBondContact O-CD1 3.43Å; L121-I125 WeakPolarHBondContact O-CG1 3.5Å; L121-I125 PolarHBondContact O-N 3.35Å; L121-L248 HydrophobicContact CB-CD2 3.86Å; L121-I351 HydrophobicContact CD1-CD1 3.66Å |
| 122 | I | 97.6 | Very high | 95 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -54.4 | -60.5 | -178 | -69.2 | 175.7 | 0 | 0 | 0 | 111.4 | I112 F113 R124 I125 C126 F149 I200 C225 L248 | I112-I122 HydrophobicContact CG2-CD1 3.48Å; I112-I122 VanDerWaalsContact CG2-CD1 3.48Å; I112-I122 HydrophobicContact CG2-CG1 3.82Å; I112-I122 WeakPolarHBondContact O-CB 3.24Å; I112-I122 WeakPolarHBondContact O-CG1 3.49Å; I112-I122 PolarHBondContact O-N 3.41Å; F113-I122 HydrophobicContact CD1-CD1 4.17Å; F113-I122 HydrophobicContact CE1-CD1 3.92Å; F113-I122 HydrophobicContact CE2-CD1 4.34Å; F113-I122 HydrophobicContact CG-CD1 4.49Å; F113-I122 HydrophobicContact CZ-CD1 4Å; I122-R124 PolarHBondContact O-N 2.89Å; I122-I125 PolarHBondContact O-N 3.29Å; I122-C126 WeakPolarHBondContact O-CB 3.31Å; I122-C126 PolarHBondContact O-N 3.39Å; I122-C126 PolarHBondContact O-SG 3.5Å; I122-F149 HydrophobicContact CD1-CE1 4.15Å; I122-F149 HydrophobicContact CG2-CZ 4.41Å; I122-I200 HydrophobicContact CG2-CD1 4Å; I122-I200 HydrophobicContact CG2-CG1 4.36Å; I122-C225 HydrophobicContact CD1-CB 3.7Å; I122-C225 HydrophobicContact CG1-CB 4.43Å; I122-L248 HydrophobicContact CD1-CB 4.32Å; I122-L248 HydrophobicContact CG1-CB 3.92Å; I122-L248 HydrophobicContact CG1-CD1 4.31Å; I122-L248 HydrophobicContact CG1-CD2 3.83Å; I122-L248 HydrophobicContact CG1-CG 4.24Å |
| 123 | P | 96.7 | Very high | 94.9 | Very high | 23 Ų | 23 | 39 Ų | 39 | 15% | 0.149 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.6 | -43.9 | -177.1 | 21 | -32.9 | 0 | 0 | 0 | 112.6 | F113 P119 G120 I125 C126 E127 I200 | F113-P123 WeakPolarHBondContact O-CG 3.23Å; P119-P123 HydrophobicContact CB-CB 4.06Å; P119-P123 HydrophobicContact CB-CG 3.55Å; G120-P123 WeakPolarHBondContact O-CG 3.42Å; P123-I125 PolarHBondContact O-N 3.06Å; P123-C126 PolarHBondContact O-N 2.91Å; P123-E127 WeakPolarHBondContact O-CB 3.44Å; P123-E127 PolarHBondContact O-N 2.95Å; P123-I200 HydrophobicContact CB-CD1 4.14Å |
| 124 | R | 97 | Very high | 94.7 | Very high | 58 Ų | 58 | 43.7 Ų | 43.7 | 22% | 0.219 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | -178.9 | -67.6 | 178.1 | -174.8 | -87.7 | 2.7 | 112.8 | Y79 D118 P119 G120 L121 I122 A128 | Y79-R124 HydrophobicContact CD1-CB 4.45Å; Y79-R124 HydrophobicContact CD2-CB 3.56Å; Y79-R124 HydrophobicContact CE2-CB 3.97Å; Y79-R124 HydrophobicContact CG-CB 3.84Å; Y79-R124 HydrophobicContact CG-CG 4.49Å; D118-R124 IonicContact OD1-NH2 3.85Å; D118-R124 PolarHBondContact OD1-NH2 3.37Å; D118-R124 VanDerWaalsContact OD1-NH2 3.16Å; P119-R124 HydrophobicContact CB-CG 4.42Å; P119-R124 HydrophobicContact CG-CG 4.42Å; P119-R124 PolarHBondContact O-NE 2.78Å; P119-R124 PolarHBondContact O-NH2 3.06Å; G120-R124 WeakPolarHBondContact O-CB 3.3Å; G120-R124 VanDerWaalsContact O-CG 3.28Å; G120-R124 WeakPolarHBondContact O-CG 3.3Å; G120-R124 PolarHBondContact O-N 2.8Å; L121-R124 PolarHBondContact O-N 3.39Å; I122-R124 PolarHBondContact O-N 2.89Å; R124-A128 WeakPolarHBondContact O-CB 3.44Å; R124-A128 PolarHBondContact O-N 3.09Å |
| 125 | I | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.9 | -45 | 177.3 | -70.6 | 167.2 | 0 | 0 | 0 | 110.4 | Y79 V87 L98 L121 I122 P123 E127 A128 L129 L227 L246 L248 | Y79-I125 HydrophobicContact CD2-CG1 3.95Å; Y79-I125 HydrophobicContact CE2-CG1 3.82Å; V87-I125 HydrophobicContact CG2-CB 4.04Å; V87-I125 HydrophobicContact CG2-CG1 3.99Å; V87-I125 HydrophobicContact CG2-CG2 3.55Å; L98-I125 HydrophobicContact CD1-CD1 3.9Å; L121-I125 HydrophobicContact CB-CD1 4.11Å; L121-I125 HydrophobicContact CD2-CD1 4.32Å; L121-I125 VanDerWaalsContact O-CB 3.25Å; L121-I125 WeakPolarHBondContact O-CB 3.46Å; L121-I125 WeakPolarHBondContact O-CD1 3.43Å; L121-I125 WeakPolarHBondContact O-CG1 3.5Å; L121-I125 PolarHBondContact O-N 3.35Å; I122-I125 PolarHBondContact O-N 3.29Å; P123-I125 PolarHBondContact O-N 3.06Å; I125-E127 VanDerWaalsContact C-N 3.34Å; I125-E127 PolarHBondContact O-N 2.99Å; I125-A128 PolarHBondContact O-N 3.46Å; I125-L129 HydrophobicContact CG2-CD1 4.17Å; I125-L129 PolarHBondContact O-N 3.4Å; I125-L227 HydrophobicContact CG2-CD1 3.97Å; I125-L246 HydrophobicContact CD1-CD2 4.42Å; I125-L246 HydrophobicContact CG2-CD2 3.28Å; I125-L248 HydrophobicContact CD1-CD2 3.8Å |
| 126 | C | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.7 | -44.8 | 178.4 | -66.4 | 0 | 0 | 0 | 0 | 111.3 | I122 P123 A128 L129 L130 L196 L227 | I122-C126 WeakPolarHBondContact O-CB 3.31Å; I122-C126 PolarHBondContact O-N 3.39Å; I122-C126 PolarHBondContact O-SG 3.5Å; P123-C126 PolarHBondContact O-N 2.91Å; C126-A128 VanDerWaalsContact C-N 3.35Å; C126-A128 PolarHBondContact O-N 3.49Å; C126-L129 PolarHBondContact O-N 3.39Å; C126-L130 WeakPolarHBondContact O-CB 3.46Å; C126-L130 WeakPolarHBondContact O-CG 3.34Å; C126-L130 PolarHBondContact O-N 3.1Å; C126-L196 HydrophobicContact CB-CD1 3.59Å; C126-L196 HydrophobicContact CB-CD2 3.36Å; C126-L196 HydrophobicContact CB-CG 4.1Å; C126-L227 VanDerWaalsContact SG-CD2 3.59Å |
| 127 | E | 95.7 | Very high | 95 | Very high | 81 Ų | 81 | 46 Ų | 46 | 38% | 0.379 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62 | -41.5 | 176.6 | -174.5 | 173.3 | -172.2 | 0 | 0 | 111.9 | P123 I125 L129 L130 N131 V193 | P123-E127 WeakPolarHBondContact O-CB 3.44Å; P123-E127 PolarHBondContact O-N 2.95Å; I125-E127 VanDerWaalsContact C-N 3.34Å; I125-E127 PolarHBondContact O-N 2.99Å; E127-L129 PolarHBondContact O-N 2.87Å; E127-L130 PolarHBondContact O-N 3.23Å; E127-N131 WeakPolarHBondContact O-CB 3.34Å; E127-N131 PolarHBondContact O-N 3.21Å; E127-N131 PolarHBondContact O-ND2 2.76Å; E127-V193 HydrophobicContact CG-CG2 4.31Å |
| 128 | A | 96.9 | Very high | 95 | Very high | 20 Ų | 20 | 42.4 Ų | 42.4 | 17% | 0.165 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.8 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y79 V87 R124 I125 C126 H132 | Y79-A128 WeakPolarHBondContact OH-CB 3.42Å; V87-A128 HydrophobicContact CG1-CB 4.38Å; V87-A128 HydrophobicContact CG2-CB 4.39Å; R124-A128 WeakPolarHBondContact O-CB 3.44Å; R124-A128 PolarHBondContact O-N 3.09Å; I125-A128 PolarHBondContact O-N 3.46Å; C126-A128 VanDerWaalsContact C-N 3.35Å; C126-A128 PolarHBondContact O-N 3.49Å; A128-H132 WeakPolarHBondContact O-CB 3.38Å; A128-H132 PolarHBondContact O-N 2.9Å |
| 129 | L | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.7 | -42 | 174.8 | -72.1 | 171.6 | 0 | 0 | 0 | 111.6 | V87 V90 K91 I125 C126 E127 N131 H132 I133 L145 L227 Y229 | V87-L129 HydrophobicContact CG1-CD2 3.91Å; V87-L129 HydrophobicContact CG1-CG 4.31Å; V87-L129 HydrophobicContact CG2-CG 4.41Å; V90-L129 HydrophobicContact CG1-CD2 4.39Å; K91-L129 HydrophobicContact CG-CD2 4.46Å; I125-L129 HydrophobicContact CG2-CD1 4.17Å; I125-L129 PolarHBondContact O-N 3.4Å; C126-L129 PolarHBondContact O-N 3.39Å; E127-L129 PolarHBondContact O-N 2.87Å; L129-N131 PolarHBondContact O-N 2.99Å; L129-H132 WeakPolarHBondContact O-CB 3.11Å; L129-H132 PolarHBondContact O-N 2.71Å; L129-I133 VanDerWaalsContact O-CG1 3.31Å; L129-I133 WeakPolarHBondContact O-CG1 3.49Å; L129-I133 PolarHBondContact O-N 2.85Å; L129-L145 HydrophobicContact CB-CD2 4.01Å; L129-L145 HydrophobicContact CD1-CD1 4.19Å; L129-L227 HydrophobicContact CD1-CD1 4.2Å; L129-Y229 HydrophobicContact CD2-CD2 4.25Å; L129-Y229 HydrophobicContact CD2-CE2 4.39Å |
| 130 | L | 95.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -43.8 | 174.8 | -75.7 | 171.4 | 0 | 0 | 0 | 111.7 | C126 E127 H132 I133 K134 L145 L190 V193 L196 | C126-L130 WeakPolarHBondContact O-CB 3.46Å; C126-L130 WeakPolarHBondContact O-CG 3.34Å; C126-L130 PolarHBondContact O-N 3.1Å; E127-L130 PolarHBondContact O-N 3.23Å; L130-H132 VanDerWaalsContact C-N 3.34Å; L130-H132 PolarHBondContact O-N 2.89Å; L130-I133 PolarHBondContact O-N 2.95Å; L130-K134 WeakPolarHBondContact O-CG 3.15Å; L130-K134 PolarHBondContact O-N 3.49Å; L130-L145 HydrophobicContact CD2-CD2 3.94Å; L130-L145 HydrophobicContact CG-CD2 3.98Å; L130-L190 HydrophobicContact CD2-CB 4.11Å; L130-V193 HydrophobicContact CD1-CG2 4.31Å; L130-L196 HydrophobicContact CD1-CD2 4.43Å |
| 131 | N | 95.1 | Very high | 94.1 | Very high | 74 Ų | 74 | 49.9 Ų | 49.9 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 176.6 | -72.6 | -20.3 | 0 | 0 | 0 | 111.7 | E127 L129 I133 K134 V135 | E127-N131 WeakPolarHBondContact O-CB 3.34Å; E127-N131 PolarHBondContact O-N 3.21Å; E127-N131 PolarHBondContact O-ND2 2.76Å; L129-N131 PolarHBondContact O-N 2.99Å; N131-I133 VanDerWaalsContact C-N 3.35Å; N131-I133 PolarHBondContact O-N 3.45Å; N131-K134 PolarHBondContact O-N 3.43Å; N131-V135 WeakPolarHBondContact O-CG2 3.37Å; N131-V135 PolarHBondContact O-N 3.11Å; N131-V135 VanDerWaalsContact O-N 3.08Å |
| 132 | H | 95 | Very high | 93.9 | Very high | 38 Ų | 38 | 55.4 Ų | 55.4 | 18% | 0.176 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 174.2 | 178.9 | 75.9 | 0 | 0 | 0 | 112 | A128 L129 L130 V135 N136 Y229 | A128-H132 WeakPolarHBondContact O-CB 3.38Å; A128-H132 PolarHBondContact O-N 2.9Å; L129-H132 WeakPolarHBondContact O-CB 3.11Å; L129-H132 PolarHBondContact O-N 2.71Å; L130-H132 VanDerWaalsContact C-N 3.34Å; L130-H132 PolarHBondContact O-N 2.89Å; H132-V135 PolarHBondContact O-N 3.17Å; H132-N136 PolarHBondContact CE1-ND2 3.07Å; H132-N136 PolarHBondContact ND1-ND2 3.08Å; H132-N136 VanDerWaalsContact ND1-ND2 3.15Å; H132-N136 PolarHBondContact NE2-ND2 3.47Å; H132-N136 WeakPolarHBondContact O-CB 3.49Å; H132-N136 PolarHBondContact O-N 3.24Å; H132-N136 VanDerWaalsContact O-N 3.08Å; H132-Y229 PolarHBondContact CD2-OH 3.41Å; H132-Y229 PolarHBondContact NE2-OH 2.97Å |
| 133 | I | 94.4 | Very high | 93.8 | Very high | 16 Ų | 16 | 56.6 Ų | 56.6 | 8% | 0.082 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.2 | -48.4 | 177.4 | -68.2 | 169.1 | 0 | 0 | 0 | 110.4 | L129 L130 N131 V135 N136 Q137 Y143 L145 Y229 | L129-I133 VanDerWaalsContact O-CG1 3.31Å; L129-I133 WeakPolarHBondContact O-CG1 3.49Å; L129-I133 PolarHBondContact O-N 2.85Å; L130-I133 PolarHBondContact O-N 2.95Å; N131-I133 VanDerWaalsContact C-N 3.35Å; N131-I133 PolarHBondContact O-N 3.45Å; I133-V135 VanDerWaalsContact C-N 3.26Å; I133-V135 PolarHBondContact O-N 3.01Å; I133-N136 PolarHBondContact O-N 3.15Å; I133-Q137 WeakPolarHBondContact O-CB 3.31Å; I133-Q137 PolarHBondContact O-N 2.87Å; I133-Y143 HydrophobicContact CB-CD2 4.5Å; I133-Y143 HydrophobicContact CB-CG 4.37Å; I133-Y143 HydrophobicContact CG1-CD1 4.19Å; I133-Y143 HydrophobicContact CG1-CD2 4.44Å; I133-Y143 HydrophobicContact CG1-CG 3.87Å; I133-Y143 HydrophobicContact CG2-CD2 4.12Å; I133-Y143 HydrophobicContact CG2-CG 4.12Å; I133-L145 HydrophobicContact CD1-CB 3.74Å; I133-L145 HydrophobicContact CD1-CD2 4.37Å; I133-Y229 HydrophobicContact CD1-CE2 4.28Å; I133-Y229 HydrophobicContact CG1-CE2 4.25Å |
| 134 | K | 91.7 | Very high | 93.7 | Very high | 111 Ų | 111 | 58.9 Ų | 58.9 | 48% | 0.483 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.2 | -37.4 | 179.4 | -74.1 | 177.2 | -179.1 | -176.7 | 0 | 112.8 | L130 N131 D192 | L130-K134 WeakPolarHBondContact O-CG 3.15Å; L130-K134 PolarHBondContact O-N 3.49Å; N131-K134 PolarHBondContact O-N 3.43Å; K134-D192 IonicContact NZ-OD1 2.71Å; K134-D192 PolarHBondContact NZ-OD1 2.96Å |
| 135 | V | 93.4 | Very high | 93.8 | Very high | 118 Ų | 118 | 56.2 Ų | 56.2 | 72% | 0.715 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -78.9 | -37.3 | -178.4 | 173.2 | 0 | 0 | 0 | 0 | 112.5 | N131 H132 I133 | N131-V135 WeakPolarHBondContact O-CG2 3.37Å; N131-V135 PolarHBondContact O-N 3.11Å; N131-V135 VanDerWaalsContact O-N 3.08Å; H132-V135 PolarHBondContact O-N 3.17Å; I133-V135 VanDerWaalsContact C-N 3.26Å; I133-V135 PolarHBondContact O-N 3.01Å |
| 136 | N | 91.4 | Very high | 93.7 | Very high | 62 Ų | 62 | 58.9 Ų | 58.9 | 33% | 0.332 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -100.8 | -12.7 | -170.2 | -69.3 | -25 | 0 | 0 | 0 | 114.8 | H132 I133 N138 Y143 | H132-N136 PolarHBondContact CE1-ND2 3.07Å; H132-N136 PolarHBondContact ND1-ND2 3.08Å; H132-N136 VanDerWaalsContact ND1-ND2 3.15Å; H132-N136 PolarHBondContact NE2-ND2 3.47Å; H132-N136 WeakPolarHBondContact O-CB 3.49Å; H132-N136 PolarHBondContact O-N 3.24Å; H132-N136 VanDerWaalsContact O-N 3.08Å; I133-N136 PolarHBondContact O-N 3.15Å; N136-N138 PolarHBondContact O-N 3.23Å; N136-N138 PolarHBondContact O-ND2 2.96Å; N136-Y143 HydrophobicContact CB-CE2 3.89Å |
| 137 | Q | 90.7 | Very high | 93.8 | Very high | 111 Ų | 111 | 58.9 Ų | 58.9 | 52% | 0.519 | 30% | 0.298 | S | S | . | . | trans | -64.2 | 127.5 | -179.5 | -173.2 | 166.6 | 20.8 | 0 | 0 | 111.3 | I133 Y143 | I133-Q137 WeakPolarHBondContact O-CB 3.31Å; I133-Q137 PolarHBondContact O-N 2.87Å; Q137-Y143 HydrophobicContact CB-CD2 4.06Å; Q137-Y143 HydrophobicContact CB-CE2 4.43Å; Q137-Y143 HydrophobicContact CG-CD2 4.49Å | ||
| 138 | N | 90.1 | Very high | 93.8 | Very high | 82 Ų | 82 | 55 Ų | 55 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | B | Isolated β-bridge | trans | -152.1 | -176.9 | -177.5 | 65.5 | 63.3 | 0 | 0 | 0 | 110.9 | N136 H140 T141 | N136-N138 PolarHBondContact O-N 3.23Å; N136-N138 PolarHBondContact O-ND2 2.96Å; N138-H140 PolarHBondContact O-N 3.01Å; N138-H140 VanDerWaalsContact OD1-C 3.32Å; N138-H140 VanDerWaalsContact OD1-CA 3.27Å; N138-H140 WeakPolarHBondContact OD1-CA 2.94Å; N138-H140 WeakPolarHBondContact OD1-CB 3.25Å; N138-H140 PolarHBondContact OD1-N 3.49Å; N138-T141 PolarHBondContact N-O 2.93Å; N138-T141 CarbonylContact O-C 3.6Å; N138-T141 PolarHBondContact O-N 3.34Å; N138-T141 PolarHBondContact OD1-N 3.36Å |
| 139 | V | 86.7 | Confident | 93.9 | Very high | 133 Ų | 133 | 54 Ų | 54 | 81% | 0.806 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -33.1 | -178.9 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 140 | H | 86.7 | Confident | 93.8 | Very high | 99 Ų | 99 | 54.2 Ų | 54.2 | 46% | 0.458 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -4.9 | -177.7 | -64 | -59.8 | 0 | 0 | 0 | 113.9 | N138 R233 S234 G235 | N138-H140 PolarHBondContact O-N 3.01Å; N138-H140 VanDerWaalsContact OD1-C 3.32Å; N138-H140 VanDerWaalsContact OD1-CA 3.27Å; N138-H140 WeakPolarHBondContact OD1-CA 2.94Å; N138-H140 WeakPolarHBondContact OD1-CB 3.25Å; N138-H140 PolarHBondContact OD1-N 3.49Å; H140-R233 CarbonylContact O-C 3.44Å; H140-R233 WeakPolarHBondContact O-CA 3.26Å; H140-S234 WeakPolarHBondContact CA-O 3.41Å; H140-S234 WeakPolarHBondContact CB-O 3.48Å; H140-S234 VanDerWaalsContact CG-O 3.3Å; H140-S234 PolarHBondContact ND1-O 2.88Å; H140-S234 CarbonylContact O-C 3.59Å; H140-S234 PolarHBondContact O-N 3.42Å; H140-G235 WeakPolarHBondContact ND1-CA 3.5Å |
| 141 | T | 91.5 | Very high | 93.7 | Very high | 16 Ų | 16 | 54.2 Ų | 54.2 | 10% | 0.098 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 114.8 | -177.7 | -50.9 | 0 | 0 | 0 | 0 | 110.6 | N138 Y143 E231 E232 R233 | N138-T141 PolarHBondContact N-O 2.93Å; N138-T141 CarbonylContact O-C 3.6Å; N138-T141 PolarHBondContact O-N 3.34Å; N138-T141 PolarHBondContact OD1-N 3.36Å; T141-Y143 HydrophobicContact CG2-CD2 4.35Å; T141-Y143 HydrophobicContact CG2-CE1 4.18Å; T141-Y143 HydrophobicContact CG2-CE2 3.53Å; T141-Y143 VanDerWaalsContact CG2-CZ 3.41Å; T141-Y143 VanDerWaalsContact CG2-OH 3.25Å; T141-Y143 WeakPolarHBondContact CG2-OH 3.28Å; T141-E231 HydrophobicContact CG2-CG 4.28Å; T141-E232 CarbonylContact C-O 3.49Å; T141-E232 WeakPolarHBondContact CA-O 3.24Å; T141-R233 HydrophobicContact CG2-CG 3.67Å |
| 142 | K | 93.4 | Very high | 93.6 | Very high | 116 Ų | 116 | 50.8 Ų | 50.8 | 50% | 0.504 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 146.2 | 179.1 | -63.3 | 177.2 | -174.2 | 167.2 | 0 | 109.7 | E231 E232 | K142-E231 WeakPolarHBondContact O-CA 3.43Å; K142-E232 HydrophobicContact CB-CB 4.46Å; K142-E232 PolarHBondContact N-O 2.94Å; K142-E232 PolarHBondContact O-N 2.9Å |
| 143 | Y | 95.5 | Very high | 93.3 | Very high | 26 Ų | 26 | 51.6 Ų | 51.6 | 10% | 0.102 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 147.9 | 178.3 | -62 | -82.2 | 0 | 0 | 0 | 110 | I133 N136 Q137 T141 Y229 H230 E231 | I133-Y143 HydrophobicContact CB-CD2 4.5Å; I133-Y143 HydrophobicContact CB-CG 4.37Å; I133-Y143 HydrophobicContact CG1-CD1 4.19Å; I133-Y143 HydrophobicContact CG1-CD2 4.44Å; I133-Y143 HydrophobicContact CG1-CG 3.87Å; I133-Y143 HydrophobicContact CG2-CD2 4.12Å; I133-Y143 HydrophobicContact CG2-CG 4.12Å; N136-Y143 HydrophobicContact CB-CE2 3.89Å; Q137-Y143 HydrophobicContact CB-CD2 4.06Å; Q137-Y143 HydrophobicContact CB-CE2 4.43Å; Q137-Y143 HydrophobicContact CG-CD2 4.49Å; T141-Y143 HydrophobicContact CG2-CD2 4.35Å; T141-Y143 HydrophobicContact CG2-CE1 4.18Å; T141-Y143 HydrophobicContact CG2-CE2 3.53Å; T141-Y143 VanDerWaalsContact CG2-CZ 3.41Å; T141-Y143 VanDerWaalsContact CG2-OH 3.25Å; T141-Y143 WeakPolarHBondContact CG2-OH 3.28Å; Y143-Y229 HydrophobicContact CD1-CE2 4.16Å; Y143-Y229 AromaticContact CD1-CZ 3.86Å; Y143-Y229 WeakPolarHBondContact CD1-OH 3.37Å; Y143-Y229 WeakPolarHBondContact CE1-OH 3.42Å; Y143-H230 CarbonylContact C-O 3.54Å; Y143-H230 VanDerWaalsContact CA-O 3.3Å; Y143-H230 WeakPolarHBondContact CA-O 3.35Å; Y143-E231 HydrophobicContact CD1-CB 3.82Å; Y143-E231 HydrophobicContact CD1-CG 3.94Å; Y143-E231 HydrophobicContact CE1-CB 3.82Å; Y143-E231 HydrophobicContact CE1-CG 3.49Å; Y143-E231 VanDerWaalsContact CE1-CG 3.49Å; Y143-E231 VanDerWaalsContact CE1-OE1 3.26Å; Y143-E231 WeakPolarHBondContact CE1-OE1 3.45Å; Y143-E231 PolarHBondContact OH-OE1 3.38Å |
| 144 | E | 95.5 | Very high | 92.7 | Very high | 71 Ų | 71 | 52.9 Ų | 52.9 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 127.8 | 167.2 | -173.4 | -176.4 | -141.9 | 0 | 0 | 109.3 | K146 T189 H230 | E144-K146 HydrophobicContact CG-CG 4.38Å; E144-K146 WeakPolarHBondContact OE1-CE 3.26Å; E144-K146 IonicContact OE1-NZ 3.81Å; E144-K146 PolarHBondContact OE1-NZ 3.25Å; E144-K146 WeakPolarHBondContact OE2-CE 3.47Å; E144-K146 IonicContact OE2-NZ 3.68Å; E144-K146 PolarHBondContact OE2-NZ 2.88Å; E144-T189 HydrophobicContact CG-CG2 4.41Å; E144-H230 HydrophobicContact CB-CB 4.17Å; E144-H230 PolarHBondContact N-O 2.9Å; E144-H230 PolarHBondContact O-N 2.83Å |
| 145 | L | 97.5 | Very high | 92.7 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 121 | 175.6 | -175.5 | 65.8 | 0 | 0 | 0 | 109.3 | L129 L130 I133 L190 L227 Y228 Y229 | L129-L145 HydrophobicContact CB-CD2 4.01Å; L129-L145 HydrophobicContact CD1-CD1 4.19Å; L130-L145 HydrophobicContact CD2-CD2 3.94Å; L130-L145 HydrophobicContact CG-CD2 3.98Å; I133-L145 HydrophobicContact CD1-CB 3.74Å; I133-L145 HydrophobicContact CD1-CD2 4.37Å; L145-L190 HydrophobicContact CD2-CB 4.23Å; L145-L190 HydrophobicContact CD2-CD1 3.94Å; L145-L190 HydrophobicContact CG-CB 4.33Å; L145-L190 HydrophobicContact CG-CD1 4.15Å; L145-L190 PolarHBondContact O-N 2.86Å; L145-L227 HydrophobicContact CD1-CD2 4.48Å; L145-Y228 WeakPolarHBondContact CA-O 3.35Å; L145-Y229 HydrophobicContact CD1-CD2 4.39Å |
| 146 | K | 97.7 | Very high | 92.5 | Very high | 55 Ų | 55 | 49 Ų | 49 | 24% | 0.239 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 150.5 | 175.9 | -73.2 | 165.5 | 171.1 | 148.7 | 0 | 110.7 | E144 K187 A188 L227 Y228 | E144-K146 HydrophobicContact CG-CG 4.38Å; E144-K146 WeakPolarHBondContact OE1-CE 3.26Å; E144-K146 IonicContact OE1-NZ 3.81Å; E144-K146 PolarHBondContact OE1-NZ 3.25Å; E144-K146 WeakPolarHBondContact OE2-CE 3.47Å; E144-K146 IonicContact OE2-NZ 3.68Å; E144-K146 PolarHBondContact OE2-NZ 2.88Å; K146-K187 HydrophobicContact CB-CB 4.37Å; K146-K187 HydrophobicContact CD-CB 4.45Å; K146-A188 CarbonylContact C-O 3.5Å; K146-A188 VanDerWaalsContact CA-O 3.26Å; K146-A188 WeakPolarHBondContact CA-O 3.27Å; K146-L227 CarbonylContact O-C 3.59Å; K146-L227 WeakPolarHBondContact O-CA 3.48Å; K146-Y228 HydrophobicContact CB-CD2 4.2Å; K146-Y228 PolarHBondContact N-O 2.78Å; K146-Y228 PolarHBondContact O-N 2.91Å |
| 147 | I | 97.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 143.8 | 176.8 | -165.3 | 169.3 | 0 | 0 | 0 | 110.9 | F149 K187 A188 L190 L196 I199 T226 L227 | I147-F149 HydrophobicContact CD1-CD2 4.43Å; I147-F149 HydrophobicContact CD1-CE2 3.44Å; I147-F149 VanDerWaalsContact CD1-CE2 3.44Å; I147-F149 HydrophobicContact CD1-CZ 3.76Å; I147-F149 HydrophobicContact CG1-CD2 4.25Å; I147-F149 HydrophobicContact CG1-CE2 3.71Å; I147-F149 HydrophobicContact CG1-CZ 4.35Å; I147-K187 CarbonylContact O-C 3.58Å; I147-K187 WeakPolarHBondContact O-CA 3.48Å; I147-A188 HydrophobicContact CG2-CB 4.17Å; I147-A188 PolarHBondContact N-O 3.04Å; I147-A188 PolarHBondContact O-N 3.23Å; I147-L190 HydrophobicContact CB-CD1 3.98Å; I147-L190 HydrophobicContact CB-CG 4.24Å; I147-L190 HydrophobicContact CD1-CD1 4.38Å; I147-L190 HydrophobicContact CG2-CD1 4.04Å; I147-L190 HydrophobicContact CG2-CD2 3.77Å; I147-L190 HydrophobicContact CG2-CG 3.85Å; I147-L196 HydrophobicContact CD1-CD1 4.32Å; I147-I199 HydrophobicContact CG2-CD1 4.29Å; I147-I199 HydrophobicContact CG2-CG2 3.92Å; I147-T226 CarbonylContact C-O 3.58Å; I147-T226 WeakPolarHBondContact CA-O 3.42Å; I147-L227 HydrophobicContact CB-CD2 3.87Å; I147-L227 HydrophobicContact CD1-CD2 3.7Å; I147-L227 HydrophobicContact CG1-CD2 3.68Å |
| 148 | S | 97.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 152.7 | 169.9 | 67.1 | 0 | 0 | 0 | 0 | 110.8 | M186 C225 T226 Y228 | S148-M186 WeakPolarHBondContact CB-O 3.42Å; S148-C225 CarbonylContact O-C 3.59Å; S148-C225 WeakPolarHBondContact O-CA 3.43Å; S148-T226 PolarHBondContact N-O 3.45Å; S148-T226 PolarHBondContact O-N 3.24Å; S148-Y228 WeakPolarHBondContact OG-CE2 3.33Å; S148-Y228 PolarHBondContact OG-OH 3.24Å |
| 149 | F | 97.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 122.1 | 176.2 | -74.1 | -95.7 | 0 | 0 | 0 | 110.4 | F113 I122 I147 L160 L161 I199 I200 V223 I224 C225 | F113-F149 AromaticContact CE1-CE1 3.83Å; F113-F149 HydrophobicContact CE1-CE1 3.83Å; F113-F149 HydrophobicContact CZ-CE1 4.09Å; I122-F149 HydrophobicContact CD1-CE1 4.15Å; I122-F149 HydrophobicContact CG2-CZ 4.41Å; I147-F149 HydrophobicContact CD1-CD2 4.43Å; I147-F149 HydrophobicContact CD1-CE2 3.44Å; I147-F149 VanDerWaalsContact CD1-CE2 3.44Å; I147-F149 HydrophobicContact CD1-CZ 3.76Å; I147-F149 HydrophobicContact CG1-CD2 4.25Å; I147-F149 HydrophobicContact CG1-CE2 3.71Å; I147-F149 HydrophobicContact CG1-CZ 4.35Å; F149-L160 HydrophobicContact CB-CB 3.76Å; F149-L160 HydrophobicContact CB-CD1 4.17Å; F149-L160 HydrophobicContact CB-CG 4.48Å; F149-L160 PolarHBondContact O-N 3.42Å; F149-L161 HydrophobicContact CB-CD2 4.32Å; F149-L161 HydrophobicContact CB-CG 4.23Å; F149-L161 HydrophobicContact CD2-CD1 4.2Å; F149-L161 HydrophobicContact CD2-CD2 3.73Å; F149-L161 HydrophobicContact CD2-CG 4.11Å; F149-L161 HydrophobicContact CE2-CD2 4.49Å; F149-L161 HydrophobicContact CG-CD2 4.39Å; F149-I199 HydrophobicContact CD2-CG2 4.28Å; F149-I199 HydrophobicContact CE2-CG2 3.87Å; F149-I200 HydrophobicContact CZ-CG1 4.28Å; F149-V223 HydrophobicContact CD1-CG1 4.17Å; F149-I224 WeakPolarHBondContact CA-O 3.32Å; F149-C225 HydrophobicContact CD1-CB 3.86Å; F149-C225 HydrophobicContact CE1-CB 3.62Å; F149-C225 HydrophobicContact CZ-CB 4.22Å |
| 150 | V | 95.6 | Very high | 93 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.024 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129 | 177.4 | 173.1 | 0 | 0 | 0 | 0 | 109.1 | I152 I157 V182 L185 V223 I224 | V150-I152 HydrophobicContact CG1-CG1 4.16Å; V150-I157 HydrophobicContact CG1-CG2 3.58Å; V150-V182 HydrophobicContact CG2-CG2 4.37Å; V150-L185 HydrophobicContact CG2-CD1 3.54Å; V150-L185 HydrophobicContact CG2-CD2 3.55Å; V150-L185 HydrophobicContact CG2-CG 4.2Å; V150-V223 CarbonylContact O-C 3.54Å; V150-V223 VanDerWaalsContact O-CA 3.31Å; V150-V223 WeakPolarHBondContact O-CA 3.47Å; V150-I224 HydrophobicContact CB-CB 4.3Å; V150-I224 PolarHBondContact N-O 3.47Å; V150-I224 PolarHBondContact O-N 3.3Å |
| 151 | E | 93.6 | Very high | 93.2 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.019 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 130.2 | 165.4 | -178.7 | -175.6 | -144.6 | 0 | 0 | 109.5 | H158 L160 K217 S221 H222 | E151-H158 HydrophobicContact CB-CB 4.32Å; E151-H158 PolarHBondContact N-O 3.36Å; E151-H158 PolarHBondContact O-N 2.84Å; E151-L160 HydrophobicContact CB-CD1 3.96Å; E151-L160 HydrophobicContact CB-CD2 3.77Å; E151-L160 HydrophobicContact CB-CG 3.74Å; E151-K217 WeakPolarHBondContact OE1-CE 3.34Å; E151-K217 IonicContact OE1-NZ 3.43Å; E151-K217 PolarHBondContact OE1-NZ 3.07Å; E151-K217 IonicContact OE2-NZ 3.49Å; E151-K217 PolarHBondContact OE2-NZ 2.94Å; E151-S221 WeakPolarHBondContact OE1-CB 3.26Å; E151-S221 PolarHBondContact OE1-OG 2.9Å; E151-H222 CarbonylContact C-O 3.51Å; E151-H222 WeakPolarHBondContact CA-O 3.42Å |
| 152 | I | 92.5 | Very high | 92.9 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 111.6 | 168 | -51.5 | 176.8 | 0 | 0 | 0 | 107.8 | V150 K156 S221 H222 I224 L334 L337 | V150-I152 HydrophobicContact CG1-CG1 4.16Å; I152-K156 WeakPolarHBondContact CA-O 3.21Å; I152-S221 WeakPolarHBondContact O-CA 3.46Å; I152-H222 HydrophobicContact CB-CB 4.24Å; I152-H222 PolarHBondContact N-O 3.34Å; I152-H222 PolarHBondContact O-N 3.45Å; I152-I224 HydrophobicContact CD1-CD1 3.86Å; I152-L334 HydrophobicContact CD1-CB 4.02Å; I152-L334 HydrophobicContact CD1-CD1 4.05Å; I152-L337 HydrophobicContact CD1-CD1 4.02Å |
| 153 | Y | 88.5 | Confident | 91.9 | Very high | 54 Ų | 54 | 30.1 Ų | 30.1 | 21% | 0.212 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 128.3 | 176.6 | 173.9 | -106.4 | 0 | 0 | 0 | 108.6 | E155 K156 K217 R220 E268 | Y153-E155 VanDerWaalsContact C-N 3.29Å; Y153-E155 PolarHBondContact O-N 2.77Å; Y153-K156 PolarHBondContact N-O 2.75Å; Y153-K156 WeakPolarHBondContact O-CB 2.98Å; Y153-K156 PolarHBondContact O-N 3.27Å; Y153-K217 HydrophobicContact CD2-CG 4.17Å; Y153-K217 HydrophobicContact CE2-CG 4.16Å; Y153-R220 HydrophobicContact CE2-CB 4.41Å; Y153-E268 HydrophobicContact CE2-CG 4.41Å; Y153-E268 WeakPolarHBondContact CE2-OE1 3.1Å; Y153-E268 PolarHBondContact OH-OE1 2.72Å |
| 154 | N | 83.7 | Confident | 90.5 | Very high | 44 Ų | 44 | 33 Ų | 33 | 24% | 0.235 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 38.8 | 177.7 | -163.2 | 37.8 | 0 | 0 | 0 | 113.8 | K156 K271 | N154-K156 PolarHBondContact O-N 3.31Å; N154-K156 VanDerWaalsContact O-N 3.13Å; N154-K271 WeakPolarHBondContact OD1-CB 3.38Å; N154-K271 WeakPolarHBondContact OD1-CD 3.34Å |
| 155 | E | 90 | Very high | 88.6 | Confident | 37 Ų | 37 | 38.7 Ų | 38.7 | 17% | 0.173 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 14.4 | -172.1 | -66.7 | -60.2 | 113.2 | 0 | 0 | 115.6 | Y153 L274 S275 S332 K333 | Y153-E155 VanDerWaalsContact C-N 3.29Å; Y153-E155 PolarHBondContact O-N 2.77Å; E155-L274 HydrophobicContact CG-CD2 3.96Å; E155-S275 VanDerWaalsContact OE1-CB 3.31Å; E155-S275 WeakPolarHBondContact OE1-CB 3.46Å; E155-S332 VanDerWaalsContact OE2-CA 3.32Å; E155-S332 WeakPolarHBondContact OE2-CA 3.49Å; E155-S332 WeakPolarHBondContact OE2-CB 3.4Å; E155-K333 PolarHBondContact OE2-N 3.23Å |
| 156 | K | 89.6 | Confident | 86.7 | Confident | 110 Ų | 110 | 46.1 Ų | 46.1 | 48% | 0.478 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 147.8 | 170.2 | -65.3 | -173.4 | 176.8 | -171.3 | 0 | 110.2 | I152 Y153 N154 S169 | I152-K156 WeakPolarHBondContact CA-O 3.21Å; Y153-K156 PolarHBondContact N-O 2.75Å; Y153-K156 WeakPolarHBondContact O-CB 2.98Å; Y153-K156 PolarHBondContact O-N 3.27Å; N154-K156 PolarHBondContact O-N 3.31Å; N154-K156 VanDerWaalsContact O-N 3.13Å; K156-S169 WeakPolarHBondContact CA-OG 3.2Å |
| 157 | I | 92.3 | Very high | 84.9 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 123.6 | -177 | -57.1 | 179.6 | 0 | 0 | 0 | 108.3 | V150 S169 L170 I172 V182 K333 | V150-I157 HydrophobicContact CG1-CG2 3.58Å; I157-S169 PolarHBondContact N-OG 2.89Å; I157-S169 WeakPolarHBondContact O-CA 3.46Å; I157-L170 HydrophobicContact CB-CB 4.15Å; I157-L170 HydrophobicContact CG2-CB 3.94Å; I157-L170 PolarHBondContact O-N 3.25Å; I157-I172 HydrophobicContact CD1-CD1 3.62Å; I157-I172 HydrophobicContact CD1-CG1 3.31Å; I157-V182 HydrophobicContact CG2-CG1 3.94Å; I157-V182 HydrophobicContact CG2-CG2 4.3Å; I157-K333 HydrophobicContact CD1-CB 4.23Å; I157-K333 HydrophobicContact CD1-CD 4.41Å; I157-K333 HydrophobicContact CD1-CG 4.36Å; I157-K333 HydrophobicContact CG1-CB 4.38Å; I157-K333 HydrophobicContact CG1-CG 4.47Å |
| 158 | H | 90.8 | Very high | 83.6 | Confident | 48 Ų | 48 | 55.6 Ų | 55.6 | 22% | 0.222 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 136.8 | 178 | -60.8 | -67.6 | 0 | 0 | 0 | 110 | E151 | E151-H158 HydrophobicContact CB-CB 4.32Å; E151-H158 PolarHBondContact N-O 3.36Å; E151-H158 PolarHBondContact O-N 2.84Å |
| 159 | D | 93.4 | Very high | 83 | Confident | 20 Ų | 20 | 57.6 Ų | 57.6 | 11% | 0.107 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 118.4 | 170.3 | -175.5 | -22.3 | 0 | 0 | 0 | 108.8 | L161 N162 L170 L185 M186 | D159-L161 VanDerWaalsContact C-N 3.28Å; D159-L161 WeakPolarHBondContact OD1-CA 3.49Å; D159-L161 WeakPolarHBondContact OD1-CB 3.46Å; D159-L161 PolarHBondContact OD1-N 2.83Å; D159-N162 HydrophobicContact CB-CB 4.04Å; D159-N162 PolarHBondContact OD1-N 3.4Å; D159-N162 VanDerWaalsContact OD1-N 3.15Å; D159-L170 HydrophobicContact CB-CD1 3.87Å; D159-L185 HydrophobicContact CB-CD1 4.13Å; D159-M186 WeakPolarHBondContact OD2-CB 3.21Å; D159-M186 PolarHBondContact OD2-N 3.47Å |
| 160 | L | 93 | Very high | 82.7 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -79.9 | -10.5 | -179.4 | -71.8 | 177.9 | 0 | 0 | 0 | 113 | F149 E151 N206 R207 V223 | F149-L160 HydrophobicContact CB-CB 3.76Å; F149-L160 HydrophobicContact CB-CD1 4.17Å; F149-L160 HydrophobicContact CB-CG 4.48Å; F149-L160 PolarHBondContact O-N 3.42Å; E151-L160 HydrophobicContact CB-CD1 3.96Å; E151-L160 HydrophobicContact CB-CD2 3.77Å; E151-L160 HydrophobicContact CB-CG 3.74Å; L160-N206 HydrophobicContact CD2-CB 4.05Å; L160-N206 WeakPolarHBondContact O-CB 3.46Å; L160-N206 PolarHBondContact O-ND2 3.4Å; L160-R207 HydrophobicContact CD1-CB 4.41Å; L160-R207 HydrophobicContact CD2-CB 4.11Å; L160-V223 HydrophobicContact CD1-CG1 3.94Å; L160-V223 HydrophobicContact CD1-CG2 4.06Å |
| 161 | L | 91.8 | Very high | 82.5 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -97.5 | -25.7 | 178.2 | -56.4 | -174.1 | 0 | 0 | 0 | 112.6 | F149 D159 M186 A188 I199 K202 | F149-L161 HydrophobicContact CB-CD2 4.32Å; F149-L161 HydrophobicContact CB-CG 4.23Å; F149-L161 HydrophobicContact CD2-CD1 4.2Å; F149-L161 HydrophobicContact CD2-CD2 3.73Å; F149-L161 HydrophobicContact CD2-CG 4.11Å; F149-L161 HydrophobicContact CE2-CD2 4.49Å; F149-L161 HydrophobicContact CG-CD2 4.39Å; D159-L161 VanDerWaalsContact C-N 3.28Å; D159-L161 WeakPolarHBondContact OD1-CA 3.49Å; D159-L161 WeakPolarHBondContact OD1-CB 3.46Å; D159-L161 PolarHBondContact OD1-N 2.83Å; L161-M186 HydrophobicContact CB-CE 3.3Å; L161-M186 HydrophobicContact CD1-CE 4.21Å; L161-M186 HydrophobicContact CG-CE 4.39Å; L161-A188 HydrophobicContact CD1-CB 4.14Å; L161-I199 HydrophobicContact CD1-CG2 4.27Å; L161-I199 HydrophobicContact CD2-CG2 3.63Å; L161-K202 WeakPolarHBondContact O-CE 3.45Å; L161-K202 PolarHBondContact O-NZ 2.84Å |
| 162 | N | 84.2 | Confident | 82.5 | Confident | 68 Ų | 68 | 68 Ų | 68 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | trans | -83.2 | 123 | 175.3 | -165.5 | -5.8 | 0 | 0 | 0 | 110.9 | D159 T164 | D159-N162 HydrophobicContact CB-CB 4.04Å; D159-N162 PolarHBondContact OD1-N 3.4Å; D159-N162 VanDerWaalsContact OD1-N 3.15Å; N162-T164 VanDerWaalsContact OD1-CB 3.27Å; N162-T164 WeakPolarHBondContact OD1-CB 3.49Å; N162-T164 PolarHBondContact OD1-N 3.04Å; N162-T164 PolarHBondContact OD1-OG1 3.03Å | ||
| 163 | S | 71.5 | Confident | 82.6 | Confident | 79 Ų | 79 | 74 Ų | 74 | 55% | 0.552 | 36% | 0.361 | S | S | * | . | trans | -92.4 | -4.1 | 177 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | K165 | S163-K165 PolarHBondContact O-N 3.38Š| ||
| 164 | T | 66 | Low | 82.7 | Confident | 87 Ų | 87 | 75.2 Ų | 75.2 | 53% | 0.534 | 37% | 0.369 | S | S | . | . | trans | -65.6 | 108.6 | -178.4 | -48.1 | 0 | 0 | 0 | 0 | 108.2 | N162 E166 | N162-T164 VanDerWaalsContact OD1-CB 3.27Å; N162-T164 WeakPolarHBondContact OD1-CB 3.49Å; N162-T164 PolarHBondContact OD1-N 3.04Å; N162-T164 PolarHBondContact OD1-OG1 3.03Å; T164-E166 HydrophobicContact CG2-CG 4.38Å; T164-E166 PolarHBondContact O-N 3.16Å | ||
| 165 | K | 56.9 | Low | 82.8 | Confident | 190 Ų | 190 | 76.4 Ų | 76.4 | 83% | 0.826 | 37% | 0.373 | S | S | * | . | trans | -68.5 | 13.4 | -171.2 | -63.1 | -176.3 | 179.5 | 178.9 | 0 | 114.5 | S163 Q167 | S163-K165 PolarHBondContact O-N 3.38Å; K165-Q167 WeakPolarHBondContact O-CG 3.36Å; K165-Q167 PolarHBondContact O-N 2.75Å | ||
| 166 | E | 57.1 | Low | 82.4 | Confident | 160 Ų | 160 | 80.3 Ų | 80.3 | 75% | 0.748 | 40% | 0.401 | S | S | * | . | trans | -72 | 80 | 167.9 | -67.3 | -174.6 | -172.2 | 0 | 0 | 107.9 | T164 S168 | T164-E166 HydrophobicContact CG2-CG 4.38Å; T164-E166 PolarHBondContact O-N 3.16Å; E166-S168 PolarHBondContact O-N 3.22Å | ||
| 167 | Q | 60.8 | Low | 81.8 | Confident | 164 Ų | 164 | 81.5 Ų | 81.5 | 77% | 0.766 | 41% | 0.413 | S | S | * | . | trans | -65.5 | 31.5 | -175.1 | -71.9 | 168.2 | -14.5 | 0 | 0 | 113.9 | K165 S169 | K165-Q167 WeakPolarHBondContact O-CG 3.36Å; K165-Q167 PolarHBondContact O-N 2.75Å; Q167-S169 PolarHBondContact O-N 3.39Å | ||
| 168 | S | 70.7 | Confident | 81.3 | Confident | 90 Ų | 90 | 85.5 Ų | 85.5 | 63% | 0.629 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 129.7 | 166.3 | 69.5 | 0 | 0 | 0 | 0 | 108.3 | E166 L170 | E166-S168 PolarHBondContact O-N 3.22Å; S168-L170 PolarHBondContact O-N 3.49Å |
| 169 | S | 83.8 | Confident | 81 | Confident | 42 Ų | 42 | 83.7 Ų | 83.7 | 29% | 0.294 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 130.5 | 173.5 | 174.6 | 0 | 0 | 0 | 0 | 108.4 | K156 I157 Q167 | K156-S169 WeakPolarHBondContact CA-OG 3.2Å; I157-S169 PolarHBondContact N-OG 2.89Å; I157-S169 WeakPolarHBondContact O-CA 3.46Å; Q167-S169 PolarHBondContact O-N 3.39Å |
| 170 | L | 90.8 | Very high | 81 | Confident | 37 Ų | 37 | 83.6 Ų | 83.6 | 19% | 0.194 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 154.2 | 172.8 | -61.4 | -179 | 0 | 0 | 0 | 110.6 | I157 D159 S168 V182 L185 | I157-L170 HydrophobicContact CB-CB 4.15Å; I157-L170 HydrophobicContact CG2-CB 3.94Å; I157-L170 PolarHBondContact O-N 3.25Å; D159-L170 HydrophobicContact CB-CD1 3.87Å; S168-L170 PolarHBondContact O-N 3.49Å; L170-V182 HydrophobicContact CB-CG1 3.59Å; L170-V182 HydrophobicContact CD1-CG1 3.7Å; L170-V182 HydrophobicContact CG-CG1 4.3Å; L170-L185 HydrophobicContact CD1-CD1 4.43Å |
| 171 | R | 92.1 | Very high | 81 | Confident | 175 Ų | 175 | 88.2 Ų | 88.2 | 66% | 0.66 | 45% | 0.447 | S | S | * | . | trans | -107.6 | 147 | -178.9 | -63.6 | -179.2 | 178.7 | -174.5 | -1.9 | 110.2 | E183 | R171-E183 PolarHBondContact O-N 3.28Š| ||
| 172 | I | 94 | Very high | 81.1 | Confident | 13 Ų | 13 | 88.8 Ų | 88.8 | 7% | 0.067 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 131.8 | 173 | -57.3 | 175 | 0 | 0 | 0 | 108.3 | I157 P180 Y181 K333 W336 L337 | I157-I172 HydrophobicContact CD1-CD1 3.62Å; I157-I172 HydrophobicContact CD1-CG1 3.31Å; I172-P180 HydrophobicContact CG2-CB 4.04Å; I172-Y181 CarbonylContact C-O 3.56Å; I172-Y181 WeakPolarHBondContact CA-O 3.23Å; I172-K333 HydrophobicContact CD1-CB 3.93Å; I172-K333 HydrophobicContact CD1-CD 3.7Å; I172-K333 HydrophobicContact CD1-CG 4.36Å; I172-K333 HydrophobicContact CG1-CD 4.38Å; I172-W336 HydrophobicContact CB-CD2 4.32Å; I172-W336 HydrophobicContact CB-CE3 3.74Å; I172-W336 HydrophobicContact CB-CH2 3.99Å; I172-W336 HydrophobicContact CB-CZ3 3.56Å; I172-W336 HydrophobicContact CD1-CB 4.38Å; I172-W336 HydrophobicContact CD1-CD2 4.27Å; I172-W336 HydrophobicContact CD1-CE3 3.74Å; I172-W336 HydrophobicContact CD1-CZ3 4.37Å; I172-W336 HydrophobicContact CG1-CE3 4.3Å; I172-W336 HydrophobicContact CG1-CZ3 4.48Å; I172-W336 HydrophobicContact CG2-CD2 3.77Å; I172-W336 HydrophobicContact CG2-CE3 3.73Å; I172-W336 HydrophobicContact CG2-CG 4.44Å; I172-W336 HydrophobicContact CG2-CH2 3.9Å; I172-W336 HydrophobicContact CG2-CZ2 3.96Å; I172-W336 HydrophobicContact CG2-CZ3 3.8Å; I172-W336 WeakPolarHBondContact O-CH2 3.46Å; I172-L337 HydrophobicContact CD1-CD1 4.15Å; I172-L337 HydrophobicContact CD1-CD2 3.87Å; I172-L337 HydrophobicContact CD1-CG 3.67Å; I172-L337 HydrophobicContact CG1-CD2 4.07Å; I172-L337 HydrophobicContact CG1-CG 4.35Å; I172-L337 HydrophobicContact CG2-CD2 4.13Å |
| 173 | R | 93.6 | Very high | 81.5 | Confident | 130 Ų | 130 | 88.9 Ų | 88.9 | 49% | 0.491 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 170.2 | 168.2 | -67.5 | -166.4 | -179.2 | -163.4 | 6.2 | 109.9 | P180 Y181 E183 | R173-P180 CarbonylContact O-C 3.59Å; R173-P180 VanDerWaalsContact O-CA 3.3Å; R173-P180 WeakPolarHBondContact O-CA 3.44Å; R173-Y181 HydrophobicContact CB-CD1 4.47Å; R173-Y181 HydrophobicContact CB-CE1 3.83Å; R173-Y181 HydrophobicContact CB-CE2 4.23Å; R173-Y181 PolarHBondContact N-O 3.2Å; R173-Y181 PolarHBondContact O-N 2.85Å; R173-E183 HydrophobicContact CG-CB 4.34Å; R173-E183 IonicContact CZ-OE1 3.23Å; R173-E183 IonicContact CZ-OE2 2.9Å; R173-E183 IonicContact NE-OE1 3.31Å; R173-E183 PolarHBondContact NE-OE1 3.3Å; R173-E183 IonicContact NE-OE2 3.01Å; R173-E183 PolarHBondContact NE-OE2 3.21Å; R173-E183 IonicContact NH1-OE1 2.85Å; R173-E183 IonicContact NH2-OE1 3.34Å; R173-E183 PolarHBondContact NH2-OE1 2.94Å; R173-E183 IonicContact NH2-OE2 3.31Å; R173-E183 PolarHBondContact NH2-OE2 3.47Å |
| 174 | E | 89.9 | Confident | 82.3 | Confident | 78 Ų | 78 | 88.2 Ų | 88.2 | 36% | 0.364 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 121.2 | 179 | -169 | 170 | 168.1 | 0 | 0 | 109 | R330 R339 | E174-R330 IonicContact OE2-CZ 3.53Å; E174-R330 IonicContact OE2-NH2 3.51Å; E174-R330 PolarHBondContact OE2-NH2 2.88Å; E174-R339 IonicContact OE1-CZ 3.7Å; E174-R339 IonicContact OE1-NH1 3.32Å; E174-R339 PolarHBondContact OE1-NH1 3.23Å; E174-R339 IonicContact OE2-NH1 3.26Å |
| 175 | H | 86 | Confident | 83.6 | Confident | 70 Ų | 70 | 85.1 Ų | 85.1 | 32% | 0.324 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 139.9 | 171.3 | -169.5 | -88 | 0 | 0 | 0 | 108.7 | D177 D178 G179 Y181 | H175-D177 VanDerWaalsContact C-N 3.29Å; H175-D177 IonicContact CE1-OD2 2.73Å; H175-D177 PolarHBondContact ND1-N 2.92Å; H175-D177 VanDerWaalsContact ND1-N 3.18Å; H175-D177 PolarHBondContact O-N 3.46Å; H175-D178 HydrophobicContact CB-CB 3.65Å; H175-D178 PolarHBondContact ND1-N 2.93Å; H175-G179 PolarHBondContact N-O 2.96Å; H175-G179 PolarHBondContact O-N 3.37Å; H175-G179 VanDerWaalsContact O-N 3.15Å; H175-Y181 HydrophobicContact CB-CD1 3.94Å; H175-Y181 HydrophobicContact CB-CE1 3.83Å |
| 176 | P | 82 | Confident | 85.4 | Confident | 119 Ų | 119 | 79.6 Ų | 79.6 | 77% | 0.773 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -41.5 | -178.6 | 20.4 | -33.1 | 0 | 0 | 0 | 113.2 | ||
| 177 | D | 77.8 | Confident | 87.2 | Confident | 135 Ų | 135 | 77.1 Ų | 77.1 | 72% | 0.722 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -26.7 | -175.6 | -54.3 | -46 | 0 | 0 | 0 | 114.1 | H175 | H175-D177 VanDerWaalsContact C-N 3.29Å; H175-D177 IonicContact CE1-OD2 2.73Å; H175-D177 PolarHBondContact ND1-N 2.92Å; H175-D177 VanDerWaalsContact ND1-N 3.18Å; H175-D177 PolarHBondContact O-N 3.46Å |
| 178 | D | 80.3 | Confident | 88.9 | Confident | 85 Ų | 85 | 70.2 Ų | 70.2 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -7.4 | -164.6 | -109.3 | -27.5 | 0 | 0 | 0 | 113.1 | H175 K245 | H175-D178 HydrophobicContact CB-CB 3.65Å; H175-D178 PolarHBondContact ND1-N 2.93Å; D178-K245 VanDerWaalsContact CG-NZ 3.35Å; D178-K245 IonicContact OD1-NZ 2.57Å; D178-K245 PolarHBondContact OD1-NZ 3.1Å; D178-K245 IonicContact OD2-NZ 2.79Å |
| 179 | G | 86.4 | Confident | 90 | Very high | 9 Ų | 9 | 69.2 Ų | 69.2 | 9% | 0.093 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.9 | -162.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | H175 | H175-G179 PolarHBondContact N-O 2.96Å; H175-G179 PolarHBondContact O-N 3.37Å; H175-G179 VanDerWaalsContact O-N 3.15Å |
| 180 | P | 92.1 | Very high | 90.5 | Very high | 19 Ų | 19 | 67.6 Ų | 67.6 | 12% | 0.123 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 132.6 | -179.5 | -22.6 | 36 | 0 | 0 | 0 | 112.7 | I172 R173 W336 R339 | I172-P180 HydrophobicContact CG2-CB 4.04Å; R173-P180 CarbonylContact O-C 3.59Å; R173-P180 VanDerWaalsContact O-CA 3.3Å; R173-P180 WeakPolarHBondContact O-CA 3.44Å; P180-W336 HydrophobicContact CB-CG 4.49Å; P180-W336 WeakPolarHBondContact CG-O 3.49Å; P180-R339 HydrophobicContact CG-CB 4.32Å |
| 181 | Y | 93.3 | Very high | 90.5 | Very high | 101 Ų | 101 | 70.6 Ų | 70.6 | 40% | 0.396 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 159.1 | 175.4 | 71.2 | -84.7 | 0 | 0 | 0 | 111.3 | I172 R173 H175 | I172-Y181 CarbonylContact C-O 3.56Å; I172-Y181 WeakPolarHBondContact CA-O 3.23Å; R173-Y181 HydrophobicContact CB-CD1 4.47Å; R173-Y181 HydrophobicContact CB-CE1 3.83Å; R173-Y181 HydrophobicContact CB-CE2 4.23Å; R173-Y181 PolarHBondContact N-O 3.2Å; R173-Y181 PolarHBondContact O-N 2.85Å; H175-Y181 HydrophobicContact CB-CD1 3.94Å; H175-Y181 HydrophobicContact CB-CE1 3.83Å |
| 182 | V | 94.2 | Very high | 90.4 | Very high | 14 Ų | 14 | 65.1 Ų | 65.1 | 9% | 0.085 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 122.3 | 177.3 | -177 | 0 | 0 | 0 | 0 | 109.3 | V150 I157 L170 L185 L337 | V150-V182 HydrophobicContact CG2-CG2 4.37Å; I157-V182 HydrophobicContact CG2-CG1 3.94Å; I157-V182 HydrophobicContact CG2-CG2 4.3Å; L170-V182 HydrophobicContact CB-CG1 3.59Å; L170-V182 HydrophobicContact CD1-CG1 3.7Å; L170-V182 HydrophobicContact CG-CG1 4.3Å; V182-L185 HydrophobicContact CB-CB 4.03Å; V182-L185 HydrophobicContact CB-CD2 4.19Å; V182-L185 HydrophobicContact CG1-CB 4.09Å; V182-L337 HydrophobicContact CG2-CD1 4.02Å; V182-L337 HydrophobicContact CG2-CD2 3.84Å |
| 183 | E | 91.7 | Very high | 90.3 | Very high | 70 Ų | 70 | 65.5 Ų | 65.5 | 33% | 0.327 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 137.3 | 176.3 | -179.4 | 177.1 | -155.7 | 0 | 0 | 110.6 | R171 R173 L185 | R171-E183 PolarHBondContact O-N 3.28Å; R173-E183 HydrophobicContact CG-CB 4.34Å; R173-E183 IonicContact CZ-OE1 3.23Å; R173-E183 IonicContact CZ-OE2 2.9Å; R173-E183 IonicContact NE-OE1 3.31Å; R173-E183 PolarHBondContact NE-OE1 3.3Å; R173-E183 IonicContact NE-OE2 3.01Å; R173-E183 PolarHBondContact NE-OE2 3.21Å; R173-E183 IonicContact NH1-OE1 2.85Å; R173-E183 IonicContact NH2-OE1 3.34Å; R173-E183 PolarHBondContact NH2-OE1 2.94Å; R173-E183 IonicContact NH2-OE2 3.31Å; R173-E183 PolarHBondContact NH2-OE2 3.47Å; E183-L185 PolarHBondContact O-N 2.86Å |
| 184 | G | 89 | Confident | 90.2 | Very high | 64 Ų | 64 | 66.1 Ų | 66.1 | 66% | 0.66 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 8.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | M186 | G184-M186 PolarHBondContact O-N 3.1Š|
| 185 | L | 93.3 | Very high | 90.3 | Very high | 22 Ų | 22 | 64.8 Ų | 64.8 | 12% | 0.115 | 36% | 0.36 | C | S | . | . | trans | -68.1 | 125.7 | 178.7 | -178.7 | 63 | 0 | 0 | 0 | 111.5 | V150 D159 L170 V182 E183 | V150-L185 HydrophobicContact CG2-CD1 3.54Å; V150-L185 HydrophobicContact CG2-CD2 3.55Å; V150-L185 HydrophobicContact CG2-CG 4.2Å; D159-L185 HydrophobicContact CB-CD1 4.13Å; L170-L185 HydrophobicContact CD1-CD1 4.43Å; V182-L185 HydrophobicContact CB-CB 4.03Å; V182-L185 HydrophobicContact CB-CD2 4.19Å; V182-L185 HydrophobicContact CG1-CB 4.09Å; E183-L185 PolarHBondContact O-N 2.86Å | ||
| 186 | M | 94.4 | Very high | 90.7 | Very high | 75 Ų | 75 | 61.6 Ų | 61.6 | 37% | 0.369 | 35% | 0.345 | S | S | . | . | trans | -70.8 | 131.8 | 176.6 | -161.2 | 179 | 88.8 | 0 | 0 | 110.9 | S148 D159 L161 G184 | S148-M186 WeakPolarHBondContact CB-O 3.42Å; D159-M186 WeakPolarHBondContact OD2-CB 3.21Å; D159-M186 PolarHBondContact OD2-N 3.47Å; L161-M186 HydrophobicContact CB-CE 3.3Å; L161-M186 HydrophobicContact CD1-CE 4.21Å; L161-M186 HydrophobicContact CG-CE 4.39Å; G184-M186 PolarHBondContact O-N 3.1Å | ||
| 187 | K | 95.5 | Very high | 91.2 | Very high | 107 Ų | 107 | 63.1 Ų | 63.1 | 47% | 0.465 | 34% | 0.336 | S | S | . | . | trans | -116.6 | 112.7 | 175 | -59.9 | 180 | -174.9 | 179 | 0 | 108.4 | K146 I147 Y228 | K146-K187 HydrophobicContact CB-CB 4.37Å; K146-K187 HydrophobicContact CD-CB 4.45Å; I147-K187 CarbonylContact O-C 3.58Å; I147-K187 WeakPolarHBondContact O-CA 3.48Å; K187-Y228 HydrophobicContact CD-CD2 4.14Å; K187-Y228 HydrophobicContact CD-CE2 3.85Å; K187-Y228 HydrophobicContact CG-CD2 4.47Å; K187-Y228 HydrophobicContact CG-CE2 3.99Å | ||
| 188 | A | 95.2 | Very high | 92 | Very high | 19 Ų | 19 | 60.4 Ų | 60.4 | 16% | 0.157 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 127.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | K146 I147 L161 I199 | K146-A188 CarbonylContact C-O 3.5Å; K146-A188 VanDerWaalsContact CA-O 3.26Å; K146-A188 WeakPolarHBondContact CA-O 3.27Å; I147-A188 HydrophobicContact CG2-CB 4.17Å; I147-A188 PolarHBondContact N-O 3.04Å; I147-A188 PolarHBondContact O-N 3.23Å; L161-A188 HydrophobicContact CD1-CB 4.14Å; A188-I199 HydrophobicContact CB-CD1 3.67Å; A188-I199 HydrophobicContact CB-CG1 4.45Å |
| 189 | T | 95.8 | Very high | 92.7 | Very high | 69 Ų | 69 | 57.4 Ų | 57.4 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 131.4 | 173.3 | -55.3 | 0 | 0 | 0 | 0 | 109.9 | E144 | E144-T189 HydrophobicContact CG-CG2 4.41Å |
| 190 | L | 94.2 | Very high | 93.1 | Very high | 9 Ų | 9 | 57.8 Ų | 57.8 | 5% | 0.047 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -95.9 | 117.2 | 178.1 | -65.7 | -179.7 | 0 | 0 | 0 | 109.6 | L130 L145 I147 L196 I199 L227 | L130-L190 HydrophobicContact CD2-CB 4.11Å; L145-L190 HydrophobicContact CD2-CB 4.23Å; L145-L190 HydrophobicContact CD2-CD1 3.94Å; L145-L190 HydrophobicContact CG-CB 4.33Å; L145-L190 HydrophobicContact CG-CD1 4.15Å; L145-L190 PolarHBondContact O-N 2.86Å; I147-L190 HydrophobicContact CB-CD1 3.98Å; I147-L190 HydrophobicContact CB-CG 4.24Å; I147-L190 HydrophobicContact CD1-CD1 4.38Å; I147-L190 HydrophobicContact CG2-CD1 4.04Å; I147-L190 HydrophobicContact CG2-CD2 3.77Å; I147-L190 HydrophobicContact CG2-CG 3.85Å; L190-L196 HydrophobicContact CD1-CD1 4Å; L190-L196 HydrophobicContact CD2-CB 4.15Å; L190-L196 HydrophobicContact CD2-CD1 4.21Å; L190-I199 HydrophobicContact CD2-CD1 3.62Å; L190-L227 HydrophobicContact CD1-CD2 4.21Å |
| 191 | T | 89.2 | Confident | 93.1 | Very high | 99 Ų | 99 | 59.8 Ų | 59.8 | 61% | 0.607 | 32% | 0.321 | S | S | * | . | trans | -107.6 | -35.3 | 176.3 | 52.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 192 | D | 90.5 | Very high | 93 | Very high | 61 Ų | 61 | 58.7 Ų | 58.7 | 33% | 0.326 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -148 | 164.1 | -178.9 | -153.9 | 10 | 0 | 0 | 0 | 113.6 | K134 E194 T195 L196 | K134-D192 IonicContact NZ-OD1 2.71Å; K134-D192 PolarHBondContact NZ-OD1 2.96Å; D192-E194 PolarHBondContact O-N 3.05Å; D192-T195 PolarHBondContact N-OG1 3.44Å; D192-T195 PolarHBondContact O-N 3.48Å; D192-T195 VanDerWaalsContact O-N 3.13Å; D192-T195 PolarHBondContact O-OG1 3.19Å; D192-L196 PolarHBondContact O-N 3.2Å; D192-L196 VanDerWaalsContact O-N 3.14Å |
| 193 | V | 91.6 | Very high | 92.9 | Very high | 20 Ų | 20 | 58.1 Ų | 58.1 | 12% | 0.121 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.5 | -31.5 | -177 | -179 | 0 | 0 | 0 | 0 | 111.8 | E127 L130 L196 R197 | E127-V193 HydrophobicContact CG-CG2 4.31Å; L130-V193 HydrophobicContact CD1-CG2 4.31Å; V193-L196 WeakPolarHBondContact O-CB 3.34Å; V193-L196 PolarHBondContact O-N 2.86Å; V193-R197 WeakPolarHBondContact O-CG 3.49Å; V193-R197 PolarHBondContact O-N 3.43Å |
| 194 | E | 92.3 | Very high | 92.8 | Very high | 144 Ų | 144 | 58 Ų | 58 | 67% | 0.673 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65 | -42.8 | 175.1 | -64.1 | -176.1 | 175.9 | 0 | 0 | 112.3 | D192 L196 R197 S198 | D192-E194 PolarHBondContact O-N 3.05Å; E194-L196 VanDerWaalsContact C-N 3.31Å; E194-L196 PolarHBondContact O-N 3.03Å; E194-R197 PolarHBondContact O-N 3.15Å; E194-S198 PolarHBondContact O-N 2.98Å |
| 195 | T | 92.6 | Very high | 92.8 | Very high | 49 Ų | 49 | 61.2 Ų | 61.2 | 30% | 0.301 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 176.1 | 66.8 | 0 | 0 | 0 | 0 | 111.1 | D192 S198 I199 | D192-T195 PolarHBondContact N-OG1 3.44Å; D192-T195 PolarHBondContact O-N 3.48Å; D192-T195 VanDerWaalsContact O-N 3.13Å; D192-T195 PolarHBondContact O-OG1 3.19Å; T195-S198 PolarHBondContact O-N 3.23Å; T195-I199 WeakPolarHBondContact O-CB 3.32Å; T195-I199 WeakPolarHBondContact O-CD1 3.38Å; T195-I199 WeakPolarHBondContact O-CG1 3.19Å; T195-I199 PolarHBondContact O-N 2.87Å |
| 196 | L | 93.6 | Very high | 92.5 | Very high | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.4 | -50.1 | 175 | 170.9 | 68 | 0 | 0 | 0 | 111.6 | C126 L130 I147 L190 D192 V193 E194 S198 I199 I200 | C126-L196 HydrophobicContact CB-CD1 3.59Å; C126-L196 HydrophobicContact CB-CD2 3.36Å; C126-L196 HydrophobicContact CB-CG 4.1Å; L130-L196 HydrophobicContact CD1-CD2 4.43Å; I147-L196 HydrophobicContact CD1-CD1 4.32Å; L190-L196 HydrophobicContact CD1-CD1 4Å; L190-L196 HydrophobicContact CD2-CB 4.15Å; L190-L196 HydrophobicContact CD2-CD1 4.21Å; D192-L196 PolarHBondContact O-N 3.2Å; D192-L196 VanDerWaalsContact O-N 3.14Å; V193-L196 WeakPolarHBondContact O-CB 3.34Å; V193-L196 PolarHBondContact O-N 2.86Å; E194-L196 VanDerWaalsContact C-N 3.31Å; E194-L196 PolarHBondContact O-N 3.03Å; L196-S198 PolarHBondContact O-N 2.92Å; L196-I199 PolarHBondContact O-N 3.08Å; L196-I200 HydrophobicContact CD1-CD1 3.76Å; L196-I200 HydrophobicContact CD1-CG1 4.16Å; L196-I200 HydrophobicContact CG-CD1 3.89Å; L196-I200 WeakPolarHBondContact O-CG1 3.36Å; L196-I200 PolarHBondContact O-N 2.94Å |
| 197 | R | 92.6 | Very high | 92.2 | Very high | 151 Ų | 151 | 59.2 Ų | 59.2 | 57% | 0.57 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -58.1 | -48 | 178.2 | -73.5 | 177.4 | -177.6 | 143.7 | 2 | 111.2 | V193 E194 I199 I200 D201 | V193-R197 WeakPolarHBondContact O-CG 3.49Å; V193-R197 PolarHBondContact O-N 3.43Å; E194-R197 PolarHBondContact O-N 3.15Å; R197-I199 VanDerWaalsContact C-N 3.32Å; R197-I199 PolarHBondContact O-N 3.31Å; R197-I200 PolarHBondContact O-N 3.47Å; R197-D201 VanDerWaalsContact O-CG 3.24Å; R197-D201 PolarHBondContact O-N 2.85Å |
| 198 | S | 93.9 | Very high | 91.1 | Very high | 78 Ų | 78 | 56.4 Ų | 56.4 | 55% | 0.545 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59 | -41.2 | 177.5 | -177.2 | 0 | 0 | 0 | 0 | 113 | E194 T195 L196 K202 | E194-S198 PolarHBondContact O-N 2.98Å; T195-S198 PolarHBondContact O-N 3.23Å; L196-S198 PolarHBondContact O-N 2.92Å; S198-K202 VanDerWaalsContact O-CB 3.24Å; S198-K202 WeakPolarHBondContact O-CB 3.5Å; S198-K202 PolarHBondContact O-N 2.93Å |
| 199 | I | 95.2 | Very high | 89.1 | Confident | 23 Ų | 23 | 60.2 Ų | 60.2 | 12% | 0.118 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.6 | -44 | 177.6 | -72 | 165.1 | 0 | 0 | 0 | 111.1 | I147 F149 L161 A188 L190 T195 L196 R197 K202 S203 | I147-I199 HydrophobicContact CG2-CD1 4.29Å; I147-I199 HydrophobicContact CG2-CG2 3.92Å; F149-I199 HydrophobicContact CD2-CG2 4.28Å; F149-I199 HydrophobicContact CE2-CG2 3.87Å; L161-I199 HydrophobicContact CD1-CG2 4.27Å; L161-I199 HydrophobicContact CD2-CG2 3.63Å; A188-I199 HydrophobicContact CB-CD1 3.67Å; A188-I199 HydrophobicContact CB-CG1 4.45Å; L190-I199 HydrophobicContact CD2-CD1 3.62Å; T195-I199 WeakPolarHBondContact O-CB 3.32Å; T195-I199 WeakPolarHBondContact O-CD1 3.38Å; T195-I199 WeakPolarHBondContact O-CG1 3.19Å; T195-I199 PolarHBondContact O-N 2.87Å; L196-I199 PolarHBondContact O-N 3.08Å; R197-I199 VanDerWaalsContact C-N 3.32Å; R197-I199 PolarHBondContact O-N 3.31Å; I199-K202 PolarHBondContact O-N 3.27Å; I199-S203 WeakPolarHBondContact O-CB 3.41Å; I199-S203 PolarHBondContact O-N 2.81Å |
| 200 | I | 94.4 | Very high | 87 | Confident | 16 Ų | 16 | 58.1 Ų | 58.1 | 8% | 0.082 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.8 | -49.9 | 176.3 | -69.3 | 170.6 | 0 | 0 | 0 | 109.7 | F113 I122 P123 F149 L196 R197 K202 S203 I204 | F113-I200 HydrophobicContact CD1-CG2 4.22Å; I122-I200 HydrophobicContact CG2-CD1 4Å; I122-I200 HydrophobicContact CG2-CG1 4.36Å; P123-I200 HydrophobicContact CB-CD1 4.14Å; F149-I200 HydrophobicContact CZ-CG1 4.28Å; L196-I200 HydrophobicContact CD1-CD1 3.76Å; L196-I200 HydrophobicContact CD1-CG1 4.16Å; L196-I200 HydrophobicContact CG-CD1 3.89Å; L196-I200 WeakPolarHBondContact O-CG1 3.36Å; L196-I200 PolarHBondContact O-N 2.94Å; R197-I200 PolarHBondContact O-N 3.47Å; I200-K202 VanDerWaalsContact C-N 3.33Å; I200-K202 PolarHBondContact O-N 3.16Å; I200-S203 WeakPolarHBondContact O-CB 3.48Å; I200-S203 PolarHBondContact O-N 2.73Å; I200-S203 VanDerWaalsContact O-N 3.07Å; I200-S203 PolarHBondContact O-OG 3.33Å; I200-I204 HydrophobicContact CG2-CD1 3.76Å; I200-I204 HydrophobicContact CG2-CG1 4.44Å; I200-I204 WeakPolarHBondContact O-CG1 3.47Å; I200-I204 PolarHBondContact O-N 3.29Å |
| 201 | D | 92.3 | Very high | 84.5 | Confident | 62 Ų | 62 | 63.4 Ų | 63.4 | 33% | 0.332 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 179.2 | -67.5 | -18.6 | 0 | 0 | 0 | 111.8 | R197 S203 I204 K205 | R197-D201 VanDerWaalsContact O-CG 3.24Å; R197-D201 PolarHBondContact O-N 2.85Å; D201-S203 VanDerWaalsContact C-N 3.31Å; D201-S203 PolarHBondContact O-N 2.87Å; D201-I204 PolarHBondContact O-N 2.66Å; D201-K205 WeakPolarHBondContact O-CB 3.34Å; D201-K205 WeakPolarHBondContact O-CG 3.24Å; D201-K205 PolarHBondContact O-N 2.8Å |
| 202 | K | 91.6 | Very high | 82.4 | Confident | 78 Ų | 78 | 65.4 Ų | 65.4 | 34% | 0.339 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 174.9 | -172.5 | -177.5 | -172.3 | -173.5 | 0 | 110.8 | L161 S198 I199 I200 K205 N206 | L161-K202 WeakPolarHBondContact O-CE 3.45Å; L161-K202 PolarHBondContact O-NZ 2.84Å; S198-K202 VanDerWaalsContact O-CB 3.24Å; S198-K202 WeakPolarHBondContact O-CB 3.5Å; S198-K202 PolarHBondContact O-N 2.93Å; I199-K202 PolarHBondContact O-N 3.27Å; I200-K202 VanDerWaalsContact C-N 3.33Å; I200-K202 PolarHBondContact O-N 3.16Å; K202-K205 PolarHBondContact O-N 2.83Å; K202-N206 WeakPolarHBondContact O-CB 3.46Å; K202-N206 VanDerWaalsContact O-CG 3.3Å; K202-N206 PolarHBondContact O-N 3.47Å |
| 203 | S | 92.1 | Very high | 80.1 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.007 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 179.7 | 79.5 | 0 | 0 | 0 | 0 | 112.3 | I199 I200 D201 N206 R207 | I199-S203 WeakPolarHBondContact O-CB 3.41Å; I199-S203 PolarHBondContact O-N 2.81Å; I200-S203 WeakPolarHBondContact O-CB 3.48Å; I200-S203 PolarHBondContact O-N 2.73Å; I200-S203 VanDerWaalsContact O-N 3.07Å; I200-S203 PolarHBondContact O-OG 3.33Å; D201-S203 VanDerWaalsContact C-N 3.31Å; D201-S203 PolarHBondContact O-N 2.87Å; S203-N206 PolarHBondContact O-N 3.39Å; S203-R207 WeakPolarHBondContact O-CB 3.26Å; S203-R207 PolarHBondContact O-N 3.32Å |
| 204 | I | 89.6 | Confident | 78.3 | Confident | 68 Ų | 68 | 72 Ų | 72 | 35% | 0.349 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.8 | -43.4 | 178.5 | -65.4 | 169.5 | 0 | 0 | 0 | 110.5 | F113 I200 D201 R207 T208 | F113-I204 HydrophobicContact CD1-CD1 3.91Å; F113-I204 HydrophobicContact CD1-CG1 4.03Å; F113-I204 HydrophobicContact CE1-CD1 4.45Å; F113-I204 HydrophobicContact CE1-CG1 4.09Å; I200-I204 HydrophobicContact CG2-CD1 3.76Å; I200-I204 HydrophobicContact CG2-CG1 4.44Å; I200-I204 WeakPolarHBondContact O-CG1 3.47Å; I200-I204 PolarHBondContact O-N 3.29Å; D201-I204 PolarHBondContact O-N 2.66Å; I204-R207 PolarHBondContact O-N 2.82Å; I204-T208 WeakPolarHBondContact O-CG2 3.09Å; I204-T208 PolarHBondContact O-N 2.82Å; I204-T208 VanDerWaalsContact O-N 3.11Å; I204-T208 PolarHBondContact O-OG1 2.86Å |
| 205 | K | 88.4 | Confident | 76.5 | Confident | 132 Ų | 132 | 72.6 Ų | 72.6 | 57% | 0.574 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.1 | -46.1 | 174.5 | -73.8 | 170.2 | -176.2 | 172 | 0 | 111.2 | D201 K202 R207 T208 T209 | D201-K205 WeakPolarHBondContact O-CB 3.34Å; D201-K205 WeakPolarHBondContact O-CG 3.24Å; D201-K205 PolarHBondContact O-N 2.8Å; K202-K205 PolarHBondContact O-N 2.83Å; K205-R207 VanDerWaalsContact C-N 3.32Å; K205-R207 PolarHBondContact O-N 3.03Å; K205-T208 PolarHBondContact O-N 3.08Å; K205-T208 PolarHBondContact O-OG1 3.43Å; K205-T209 WeakPolarHBondContact O-CG2 3.37Å; K205-T209 PolarHBondContact O-N 3.35Å; K205-T209 PolarHBondContact O-OG1 3.42Å |
| 206 | N | 88.2 | Confident | 75.1 | Confident | 45 Ų | 45 | 72.9 Ų | 72.9 | 24% | 0.241 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67 | -32.7 | 178.9 | -74.2 | -11.9 | 0 | 0 | 0 | 112.6 | L160 K202 S203 T209 | L160-N206 HydrophobicContact CD2-CB 4.05Å; L160-N206 WeakPolarHBondContact O-CB 3.46Å; L160-N206 PolarHBondContact O-ND2 3.4Å; K202-N206 WeakPolarHBondContact O-CB 3.46Å; K202-N206 VanDerWaalsContact O-CG 3.3Å; K202-N206 PolarHBondContact O-N 3.47Å; S203-N206 PolarHBondContact O-N 3.39Å; N206-T209 PolarHBondContact O-OG1 2.93Å |
| 207 | R | 87.2 | Confident | 74 | Confident | 9 Ų | 9 | 74 Ų | 74 | 3% | 0.034 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 173.4 | -170.6 | -171.3 | -174.3 | 176.7 | -3 | 112.3 | L160 S203 I204 K205 K217 S218 V223 D250 | L160-R207 HydrophobicContact CD1-CB 4.41Å; L160-R207 HydrophobicContact CD2-CB 4.11Å; S203-R207 WeakPolarHBondContact O-CB 3.26Å; S203-R207 PolarHBondContact O-N 3.32Å; I204-R207 PolarHBondContact O-N 2.82Å; K205-R207 VanDerWaalsContact C-N 3.32Å; K205-R207 PolarHBondContact O-N 3.03Å; R207-K217 PolarHBondContact O-NZ 2.95Å; R207-S218 PolarHBondContact NE-OG 3.41Å; R207-S218 VanDerWaalsContact NE-OG 3.07Å; R207-S218 PolarHBondContact NH2-O 3.06Å; R207-S218 PolarHBondContact NH2-OG 3.42Å; R207-V223 HydrophobicContact CG-CG2 4.26Å; R207-V223 VanDerWaalsContact CZ-CG2 3.44Å; R207-V223 VanDerWaalsContact NE-CG2 3.32Å; R207-D250 IonicContact CZ-OD2 2.9Å; R207-D250 VanDerWaalsContact CZ-OD2 3.29Å; R207-D250 IonicContact NH1-OD2 2.93Å; R207-D250 PolarHBondContact NH1-OD2 3.2Å; R207-D250 IonicContact NH2-OD2 2.74Å; R207-D250 PolarHBondContact NH2-OD2 3.48Å |
| 208 | T | 71.7 | Confident | 73.4 | Confident | 49 Ų | 49 | 68 Ų | 68 | 30% | 0.301 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -82 | -19 | -173.8 | 50.1 | 0 | 0 | 0 | 0 | 115.1 | I204 K205 A210 | I204-T208 WeakPolarHBondContact O-CG2 3.09Å; I204-T208 PolarHBondContact O-N 2.82Å; I204-T208 VanDerWaalsContact O-N 3.11Å; I204-T208 PolarHBondContact O-OG1 2.86Å; K205-T208 PolarHBondContact O-N 3.08Å; K205-T208 PolarHBondContact O-OG1 3.43Å; T208-A210 VanDerWaalsContact C-N 3.31Å; T208-A210 PolarHBondContact O-N 2.91Å; T208-A210 VanDerWaalsContact O-N 3.12Å |
| 209 | T | 54.9 | Low | 72.9 | Confident | 99 Ų | 99 | 65.8 Ų | 65.8 | 61% | 0.607 | 35% | 0.348 | S | S | * | . | trans | -79 | 17.7 | -170.3 | 49.9 | 0 | 0 | 0 | 0 | 117.2 | K205 N206 | K205-T209 WeakPolarHBondContact O-CG2 3.37Å; K205-T209 PolarHBondContact O-N 3.35Å; K205-T209 PolarHBondContact O-OG1 3.42Å; N206-T209 PolarHBondContact O-OG1 2.93Å | ||
| 210 | A | 50.2 | Low | 72.4 | Confident | 24 Ų | 24 | 66 Ų | 66 | 20% | 0.198 | 35% | 0.347 | C | S | . | . | trans | -73.9 | 141.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T208 N212 K217 | T208-A210 VanDerWaalsContact C-N 3.31Å; T208-A210 PolarHBondContact O-N 2.91Å; T208-A210 VanDerWaalsContact O-N 3.12Å; A210-N212 PolarHBondContact O-N 2.71Å; A210-K217 HydrophobicContact CB-CB 4.46Å; A210-K217 HydrophobicContact CB-CD 3.1Å; A210-K217 HydrophobicContact CB-CG 4.36Å | ||
| 211 | P | 43.1 | Very low | 72.2 | Confident | 120 Ų | 120 | 65.2 Ų | 65.2 | 78% | 0.779 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -72.9 | -2.1 | -159.7 | -17.6 | 32.6 | 0 | 0 | 0 | 116.2 | ||
| 212 | N | 43.8 | Very low | 72.3 | Confident | 141 Ų | 141 | 62.4 Ų | 62.4 | 75% | 0.754 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -125.3 | 102.7 | -173.6 | -59.9 | -26 | 0 | 0 | 0 | 109.1 | A210 | A210-N212 PolarHBondContact O-N 2.71Š|
| 213 | H | 43.5 | Very low | 72.5 | Confident | 123 Ų | 123 | 58.7 Ų | 58.7 | 57% | 0.569 | 31% | 0.312 | S | S | * | . | trans | 64.1 | 79.1 | 172 | -149.6 | -60.4 | 0 | 0 | 0 | 114.6 | H215 E216 | H213-H215 PolarHBondContact O-N 2.89Å; H213-E216 PolarHBondContact O-N 3.11Å | ||
| 214 | N | 52.5 | Low | 72.7 | Confident | 96 Ų | 96 | 59 Ų | 59 | 51% | 0.513 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -10.9 | -166.5 | -62.4 | -3.4 | 0 | 0 | 0 | 118.6 | ||
| 215 | H | 56 | Low | 73.1 | Confident | 158 Ų | 158 | 55.8 Ų | 55.8 | 73% | 0.731 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.2 | -12.1 | 177.4 | -60.3 | -49.9 | 0 | 0 | 0 | 114.4 | H213 | H213-H215 PolarHBondContact O-N 2.89Š|
| 216 | E | 63 | Low | 73.6 | Confident | 55 Ų | 55 | 50.4 Ų | 50.4 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -85.7 | -25.5 | -175.4 | -155.2 | -178.5 | 150.5 | 0 | 0 | 112.2 | H213 S219 R220 R265 | H213-E216 PolarHBondContact O-N 3.11Å; E216-S219 PolarHBondContact O-OG 2.96Å; E216-R220 WeakPolarHBondContact O-CB 3.5Å; E216-R220 WeakPolarHBondContact O-CD 3.46Å; E216-R220 VanDerWaalsContact O-CG 3.22Å; E216-R220 WeakPolarHBondContact O-CG 3.43Å; E216-R220 IonicContact OE1-NH1 3.15Å; E216-R220 PolarHBondContact OE1-NH1 3.19Å; E216-R265 IonicContact OE1-NH1 3.72Å; E216-R265 PolarHBondContact OE1-NH1 3.37Å; E216-R265 IonicContact OE2-CZ 3.51Å; E216-R265 IonicContact OE2-NH1 3.41Å; E216-R265 PolarHBondContact OE2-NH1 2.89Å |
| 217 | K | 69.9 | Low | 74 | Confident | 25 Ų | 25 | 48.3 Ų | 48.3 | 11% | 0.109 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.4 | -38.4 | 179.7 | -178.1 | 171.5 | 175.8 | -115.6 | 0 | 113.2 | E151 Y153 R207 A210 S219 R220 S221 | E151-K217 WeakPolarHBondContact OE1-CE 3.34Å; E151-K217 IonicContact OE1-NZ 3.43Å; E151-K217 PolarHBondContact OE1-NZ 3.07Å; E151-K217 IonicContact OE2-NZ 3.49Å; E151-K217 PolarHBondContact OE2-NZ 2.94Å; Y153-K217 HydrophobicContact CD2-CG 4.17Å; Y153-K217 HydrophobicContact CE2-CG 4.16Å; R207-K217 PolarHBondContact O-NZ 2.95Å; A210-K217 HydrophobicContact CB-CB 4.46Å; A210-K217 HydrophobicContact CB-CD 3.1Å; A210-K217 HydrophobicContact CB-CG 4.36Å; K217-S219 VanDerWaalsContact C-N 3.29Å; K217-S219 PolarHBondContact O-N 2.97Å; K217-R220 CarbonylContact O-C 3.59Å; K217-R220 PolarHBondContact O-N 3.38Å; K217-S221 WeakPolarHBondContact O-CB 3.31Å; K217-S221 PolarHBondContact O-N 3.46Å; K217-S221 PolarHBondContact O-OG 2.89Å |
| 218 | S | 79.7 | Confident | 74.5 | Confident | 26 Ų | 26 | 50.2 Ų | 50.2 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -37 | -177.3 | -172.8 | 0 | 0 | 0 | 0 | 111.8 | R207 R220 S221 | R207-S218 PolarHBondContact NE-OG 3.41Å; R207-S218 VanDerWaalsContact NE-OG 3.07Å; R207-S218 PolarHBondContact NH2-O 3.06Å; R207-S218 PolarHBondContact NH2-OG 3.42Å; S218-R220 PolarHBondContact O-N 3.37Å; S218-S221 PolarHBondContact O-OG 2.93Å |
| 219 | S | 82.6 | Confident | 75.8 | Confident | 32 Ų | 32 | 48.1 Ų | 48.1 | 22% | 0.224 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.3 | -19.7 | 175.7 | 53.4 | 0 | 0 | 0 | 0 | 113.2 | T104 E216 K217 A252 G253 | T104-S219 WeakPolarHBondContact OG1-CB 3.28Å; E216-S219 PolarHBondContact O-OG 2.96Å; K217-S219 VanDerWaalsContact C-N 3.29Å; K217-S219 PolarHBondContact O-N 2.97Å; S219-A252 CarbonylContact O-C 3.59Å; S219-A252 WeakPolarHBondContact O-CA 3.28Å; S219-A252 WeakPolarHBondContact O-CB 3.27Å; S219-G253 PolarHBondContact O-N 2.69Å |
| 220 | R | 85.5 | Confident | 77.7 | Confident | 26 Ų | 26 | 45.7 Ų | 45.7 | 10% | 0.098 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -105.5 | 1.9 | -173.8 | -70.1 | -175.4 | 85 | -173.7 | -6.3 | 113.9 | Y153 E216 K217 S218 R265 E268 I272 | Y153-R220 HydrophobicContact CE2-CB 4.41Å; E216-R220 WeakPolarHBondContact O-CB 3.5Å; E216-R220 WeakPolarHBondContact O-CD 3.46Å; E216-R220 VanDerWaalsContact O-CG 3.22Å; E216-R220 WeakPolarHBondContact O-CG 3.43Å; E216-R220 IonicContact OE1-NH1 3.15Å; E216-R220 PolarHBondContact OE1-NH1 3.19Å; K217-R220 CarbonylContact O-C 3.59Å; K217-R220 PolarHBondContact O-N 3.38Å; S218-R220 PolarHBondContact O-N 3.37Å; R220-R265 PolarHBondContact NH2-O 3.22Å; R220-E268 IonicContact CZ-OE1 3.6Å; R220-E268 IonicContact CZ-OE2 3.8Å; R220-E268 VanDerWaalsContact CZ-OE2 3.31Å; R220-E268 IonicContact NE-OE1 3.2Å; R220-E268 PolarHBondContact NE-OE1 2.8Å; R220-E268 IonicContact NH1-OE1 2.91Å; R220-E268 PolarHBondContact NH1-OE1 2.85Å; R220-E268 IonicContact NH1-OE2 2.75Å; R220-E268 PolarHBondContact NH1-OE2 2.71Å; R220-E268 IonicContact NH2-OE1 3.53Å; R220-E268 PolarHBondContact NH2-OE1 3.16Å; R220-E268 IonicContact NH2-OE2 3.9Å; R220-E268 PolarHBondContact NH2-OE2 3.02Å; R220-I272 HydrophobicContact CB-CD1 3.58Å; R220-I272 HydrophobicContact CB-CG1 4.49Å; R220-I272 HydrophobicContact CG-CD1 3.96Å; R220-I272 WeakPolarHBondContact O-CG1 3.34Å |
| 221 | S | 89.8 | Confident | 79.8 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -118.2 | 149.2 | 178.6 | 51 | 0 | 0 | 0 | 0 | 110.6 | E151 I152 K217 S218 | E151-S221 WeakPolarHBondContact OE1-CB 3.26Å; E151-S221 PolarHBondContact OE1-OG 2.9Å; I152-S221 WeakPolarHBondContact O-CA 3.46Å; K217-S221 WeakPolarHBondContact O-CB 3.31Å; K217-S221 PolarHBondContact O-N 3.46Å; K217-S221 PolarHBondContact O-OG 2.89Å; S218-S221 PolarHBondContact O-OG 2.93Å |
| 222 | H | 94.1 | Very high | 82.2 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 140.1 | 168.4 | -50.6 | -77.2 | 0 | 0 | 0 | 109 | E151 I152 D250 L251 A252 S275 L334 | E151-H222 CarbonylContact C-O 3.51Å; E151-H222 WeakPolarHBondContact CA-O 3.42Å; I152-H222 HydrophobicContact CB-CB 4.24Å; I152-H222 PolarHBondContact N-O 3.34Å; I152-H222 PolarHBondContact O-N 3.45Å; H222-D250 CarbonylContact C-O 3.52Å; H222-D250 WeakPolarHBondContact CA-O 3.37Å; H222-L251 HydrophobicContact CB-CD2 4.45Å; H222-L251 WeakPolarHBondContact ND1-CA 3.14Å; H222-L251 WeakPolarHBondContact ND1-CD2 3.4Å; H222-A252 WeakPolarHBondContact CE1-CB 3.36Å; H222-A252 PolarHBondContact CE1-N 2.99Å; H222-A252 VanDerWaalsContact CE1-N 3.35Å; H222-A252 PolarHBondContact ND1-N 3.27Å; H222-S275 PolarHBondContact NE2-OG 3.39Å; H222-L334 HydrophobicContact CB-CD1 4.31Å |
| 223 | V | 95.9 | Very high | 84.4 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 130.5 | 170.9 | 178.2 | 0 | 0 | 0 | 0 | 109.7 | F113 F149 V150 L160 R207 I249 D250 | F113-V223 HydrophobicContact CE2-CG1 4.48Å; F113-V223 HydrophobicContact CZ-CG1 4.03Å; F149-V223 HydrophobicContact CD1-CG1 4.17Å; V150-V223 CarbonylContact O-C 3.54Å; V150-V223 VanDerWaalsContact O-CA 3.31Å; V150-V223 WeakPolarHBondContact O-CA 3.47Å; L160-V223 HydrophobicContact CD1-CG1 3.94Å; L160-V223 HydrophobicContact CD1-CG2 4.06Å; R207-V223 HydrophobicContact CG-CG2 4.26Å; R207-V223 VanDerWaalsContact CZ-CG2 3.44Å; R207-V223 VanDerWaalsContact NE-CG2 3.32Å; V223-I249 CarbonylContact O-C 3.57Å; V223-I249 WeakPolarHBondContact O-CA 3.29Å; V223-D250 HydrophobicContact CB-CB 4.42Å; V223-D250 PolarHBondContact N-O 2.91Å; V223-D250 PolarHBondContact O-N 2.78Å |
| 224 | I | 97.6 | Very high | 86.2 | Confident | 8 Ų | 8 | 36.8 Ų | 36.8 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 109.1 | 175.9 | -55.1 | 179.4 | 0 | 0 | 0 | 107.4 | F149 V150 I152 C247 I249 L334 L337 | F149-I224 WeakPolarHBondContact CA-O 3.32Å; V150-I224 HydrophobicContact CB-CB 4.3Å; V150-I224 PolarHBondContact N-O 3.47Å; V150-I224 PolarHBondContact O-N 3.3Å; I152-I224 HydrophobicContact CD1-CD1 3.86Å; I224-C247 WeakPolarHBondContact CG2-SG 3.32Å; I224-I249 HydrophobicContact CG1-CG1 4.32Å; I224-I249 HydrophobicContact CG1-CG2 4.27Å; I224-I249 HydrophobicContact CG2-CG1 4.22Å; I224-L334 HydrophobicContact CD1-CD1 4.15Å; I224-L337 HydrophobicContact CD1-CB 4.23Å; I224-L337 HydrophobicContact CD1-CD1 3.95Å |
| 225 | C | 97.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 122.8 | 169 | 172.1 | 0 | 0 | 0 | 0 | 108.5 | I122 S148 F149 C247 L248 | I122-C225 HydrophobicContact CD1-CB 3.7Å; I122-C225 HydrophobicContact CG1-CB 4.43Å; S148-C225 CarbonylContact O-C 3.59Å; S148-C225 WeakPolarHBondContact O-CA 3.43Å; F149-C225 HydrophobicContact CD1-CB 3.86Å; F149-C225 HydrophobicContact CE1-CB 3.62Å; F149-C225 HydrophobicContact CZ-CB 4.22Å; C225-C247 CarbonylContact O-C 3.54Å; C225-C247 WeakPolarHBondContact O-CA 3.48Å; C225-L248 HydrophobicContact CB-CB 4.26Å; C225-L248 PolarHBondContact N-O 3.15Å; C225-L248 PolarHBondContact O-N 3.48Å |
| 226 | T | 98.2 | Very high | 87.6 | Confident | 19 Ų | 19 | 34.9 Ų | 34.9 | 12% | 0.117 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 122.5 | 175.2 | -52.3 | 0 | 0 | 0 | 0 | 110.2 | I147 S148 Y228 | I147-T226 CarbonylContact C-O 3.58Å; I147-T226 WeakPolarHBondContact CA-O 3.42Å; S148-T226 PolarHBondContact N-O 3.45Å; S148-T226 PolarHBondContact O-N 3.24Å; T226-Y228 HydrophobicContact CG2-CD1 4.31Å; T226-Y228 HydrophobicContact CG2-CD2 4.36Å; T226-Y228 HydrophobicContact CG2-CE1 3.78Å; T226-Y228 HydrophobicContact CG2-CE2 3.86Å |
| 227 | L | 98 | Very high | 87.8 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 128.1 | 167.7 | -66.4 | 166.9 | 0 | 0 | 0 | 108.8 | I125 C126 L129 L145 K146 I147 L190 K245 L246 L248 | I125-L227 HydrophobicContact CG2-CD1 3.97Å; C126-L227 VanDerWaalsContact SG-CD2 3.59Å; L129-L227 HydrophobicContact CD1-CD1 4.2Å; L145-L227 HydrophobicContact CD1-CD2 4.48Å; K146-L227 CarbonylContact O-C 3.59Å; K146-L227 WeakPolarHBondContact O-CA 3.48Å; I147-L227 HydrophobicContact CB-CD2 3.87Å; I147-L227 HydrophobicContact CD1-CD2 3.7Å; I147-L227 HydrophobicContact CG1-CD2 3.68Å; L190-L227 HydrophobicContact CD1-CD2 4.21Å; L227-K245 CarbonylContact O-C 3.54Å; L227-K245 WeakPolarHBondContact O-CA 3.26Å; L227-L246 HydrophobicContact CB-CB 4.19Å; L227-L246 HydrophobicContact CD1-CD2 4.04Å; L227-L246 HydrophobicContact CD1-CG 4.42Å; L227-L246 PolarHBondContact N-O 3.39Å; L227-L246 PolarHBondContact O-N 3.08Å; L227-L248 HydrophobicContact CD1-CD1 4.02Å |
| 228 | Y | 97.4 | Very high | 88.1 | Confident | 49 Ų | 49 | 43.6 Ų | 43.6 | 19% | 0.192 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 113.6 | 173.6 | -53.3 | -91.3 | 0 | 0 | 0 | 107.5 | L145 K146 S148 K187 T226 K245 | L145-Y228 WeakPolarHBondContact CA-O 3.35Å; K146-Y228 HydrophobicContact CB-CD2 4.2Å; K146-Y228 PolarHBondContact N-O 2.78Å; K146-Y228 PolarHBondContact O-N 2.91Å; S148-Y228 WeakPolarHBondContact OG-CE2 3.33Å; S148-Y228 PolarHBondContact OG-OH 3.24Å; K187-Y228 HydrophobicContact CD-CD2 4.14Å; K187-Y228 HydrophobicContact CD-CE2 3.85Å; K187-Y228 HydrophobicContact CG-CD2 4.47Å; K187-Y228 HydrophobicContact CG-CE2 3.99Å; T226-Y228 HydrophobicContact CG2-CD1 4.31Å; T226-Y228 HydrophobicContact CG2-CD2 4.36Å; T226-Y228 HydrophobicContact CG2-CE1 3.78Å; T226-Y228 HydrophobicContact CG2-CE2 3.86Å; Y228-K245 HydrophobicContact CD1-CD 4.45Å; Y228-K245 HydrophobicContact CD1-CG 4.03Å; Y228-K245 HydrophobicContact CE1-CD 4.34Å; Y228-K245 HydrophobicContact CE1-CG 4.35Å |
| 229 | Y | 97.5 | Very high | 88.3 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 122.8 | 178.2 | 177.9 | -92.3 | 0 | 0 | 0 | 109 | V90 L129 H132 I133 Y143 L145 E231 S244 | V90-Y229 HydrophobicContact CG1-CD1 4.27Å; V90-Y229 HydrophobicContact CG1-CG 4Å; L129-Y229 HydrophobicContact CD2-CD2 4.25Å; L129-Y229 HydrophobicContact CD2-CE2 4.39Å; H132-Y229 PolarHBondContact CD2-OH 3.41Å; H132-Y229 PolarHBondContact NE2-OH 2.97Å; I133-Y229 HydrophobicContact CD1-CE2 4.28Å; I133-Y229 HydrophobicContact CG1-CE2 4.25Å; Y143-Y229 HydrophobicContact CD1-CE2 4.16Å; Y143-Y229 AromaticContact CD1-CZ 3.86Å; Y143-Y229 WeakPolarHBondContact CD1-OH 3.37Å; Y143-Y229 WeakPolarHBondContact CE1-OH 3.42Å; L145-Y229 HydrophobicContact CD1-CD2 4.39Å; Y229-E231 HydrophobicContact CE1-CB 3.92Å; Y229-S244 WeakPolarHBondContact CD1-OG 3.4Å; Y229-S244 PolarHBondContact N-O 3.3Å; Y229-S244 PolarHBondContact O-N 3.39Å |
| 230 | H | 95.9 | Very high | 88.6 | Confident | 48 Ų | 48 | 46.6 Ų | 46.6 | 22% | 0.222 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 131.7 | 177.3 | 176.7 | 73.4 | 0 | 0 | 0 | 109.3 | Y143 E144 T241 I242 N243 | Y143-H230 CarbonylContact C-O 3.54Å; Y143-H230 VanDerWaalsContact CA-O 3.3Å; Y143-H230 WeakPolarHBondContact CA-O 3.35Å; E144-H230 HydrophobicContact CB-CB 4.17Å; E144-H230 PolarHBondContact N-O 2.9Å; E144-H230 PolarHBondContact O-N 2.83Å; H230-T241 WeakPolarHBondContact CE1-CG2 3.42Å; H230-I242 WeakPolarHBondContact CA-O 3.42Å; H230-N243 PolarHBondContact ND1-OD1 3.4Å |
| 231 | E | 94.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 128.3 | 175.7 | 170.8 | 170.9 | -154 | 0 | 0 | 109.4 | T141 K142 Y143 Y229 R233 T241 I242 | T141-E231 HydrophobicContact CG2-CG 4.28Å; K142-E231 WeakPolarHBondContact O-CA 3.43Å; Y143-E231 HydrophobicContact CD1-CB 3.82Å; Y143-E231 HydrophobicContact CD1-CG 3.94Å; Y143-E231 HydrophobicContact CE1-CB 3.82Å; Y143-E231 HydrophobicContact CE1-CG 3.49Å; Y143-E231 VanDerWaalsContact CE1-CG 3.49Å; Y143-E231 VanDerWaalsContact CE1-OE1 3.26Å; Y143-E231 WeakPolarHBondContact CE1-OE1 3.45Å; Y143-E231 PolarHBondContact OH-OE1 3.38Å; Y229-E231 HydrophobicContact CE1-CB 3.92Å; E231-R233 VanDerWaalsContact CD-NH2 3.32Å; E231-R233 HydrophobicContact CG-CG 4.23Å; E231-R233 IonicContact OE1-CZ 2.74Å; E231-R233 IonicContact OE1-NE 2.66Å; E231-R233 PolarHBondContact OE1-NE 2.69Å; E231-R233 IonicContact OE1-NH2 3.16Å; E231-R233 PolarHBondContact OE1-NH2 3.44Å; E231-R233 IonicContact OE2-CZ 2.78Å; E231-R233 IonicContact OE2-NH2 3.08Å; E231-R233 PolarHBondContact OE2-NH2 2.83Å; E231-T241 CarbonylContact O-C 3.51Å; E231-T241 VanDerWaalsContact O-CA 3.31Å; E231-T241 WeakPolarHBondContact O-CA 3.33Å; E231-I242 HydrophobicContact CB-CB 4.31Å; E231-I242 HydrophobicContact CB-CD1 4.4Å; E231-I242 HydrophobicContact CG-CD1 4.4Å; E231-I242 PolarHBondContact N-O 3.1Å; E231-I242 PolarHBondContact O-N 3.25Å; E231-I242 WeakPolarHBondContact OE2-CD1 3.34Å |
| 232 | E | 92.6 | Very high | 89 | Confident | 69 Ų | 69 | 46.2 Ų | 46.2 | 32% | 0.322 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 116.3 | 175 | -174.5 | -173.8 | -163.2 | 0 | 0 | 108.7 | T141 K142 | T141-E232 CarbonylContact C-O 3.49Å; T141-E232 WeakPolarHBondContact CA-O 3.24Å; K142-E232 HydrophobicContact CB-CB 4.46Å; K142-E232 PolarHBondContact N-O 2.94Å; K142-E232 PolarHBondContact O-N 2.9Å |
| 233 | R | 90.2 | Very high | 89 | Confident | 97 Ų | 97 | 49.1 Ų | 49.1 | 37% | 0.366 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 124.3 | 174.1 | -66.5 | -179.6 | -172.4 | 169.3 | 8.6 | 109.3 | H140 T141 E231 P239 R240 | H140-R233 CarbonylContact O-C 3.44Å; H140-R233 WeakPolarHBondContact O-CA 3.26Å; T141-R233 HydrophobicContact CG2-CG 3.67Å; E231-R233 VanDerWaalsContact CD-NH2 3.32Å; E231-R233 HydrophobicContact CG-CG 4.23Å; E231-R233 IonicContact OE1-CZ 2.74Å; E231-R233 IonicContact OE1-NE 2.66Å; E231-R233 PolarHBondContact OE1-NE 2.69Å; E231-R233 IonicContact OE1-NH2 3.16Å; E231-R233 PolarHBondContact OE1-NH2 3.44Å; E231-R233 IonicContact OE2-CZ 2.78Å; E231-R233 IonicContact OE2-NH2 3.08Å; E231-R233 PolarHBondContact OE2-NH2 2.83Å; R233-P239 VanDerWaalsContact O-CA 3.28Å; R233-P239 WeakPolarHBondContact O-CA 3.34Å; R233-R240 HydrophobicContact CB-CB 4.37Å; R233-R240 PolarHBondContact N-O 3.24Å; R233-R240 PolarHBondContact O-N 3.32Å |
| 234 | S | 81.9 | Confident | 89 | Confident | 54 Ų | 54 | 49.2 Ų | 49.2 | 38% | 0.378 | 26% | 0.257 | S | S | . | . | trans | -133.4 | 98.8 | 176.5 | -49 | 0 | 0 | 0 | 0 | 108.7 | H140 | H140-S234 WeakPolarHBondContact CA-O 3.41Å; H140-S234 WeakPolarHBondContact CB-O 3.48Å; H140-S234 VanDerWaalsContact CG-O 3.3Å; H140-S234 PolarHBondContact ND1-O 2.88Å; H140-S234 CarbonylContact O-C 3.59Å; H140-S234 PolarHBondContact O-N 3.42Å | ||
| 235 | G | 71.5 | Confident | 89 | Confident | 38 Ų | 38 | 51.5 Ų | 51.5 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -147 | -160.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | H140 D237 | H140-G235 WeakPolarHBondContact ND1-CA 3.5Å; G235-D237 CarbonylContact C-O 3.39Å; G235-D237 PolarHBondContact O-N 3.04Å |
| 236 | N | 65.3 | Low | 89 | Confident | 177 Ų | 177 | 51.5 Ų | 51.5 | 95% | 0.947 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -64.2 | -25.6 | 168.8 | -70.3 | -16.4 | 0 | 0 | 0 | 111.4 | ||
| 237 | D | 68 | Low | 88.9 | Confident | 136 Ų | 136 | 51.3 Ų | 51.3 | 73% | 0.727 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -72.7 | 154.9 | 167.1 | -68.5 | -32.5 | 0 | 0 | 0 | 111.1 | G235 | G235-D237 CarbonylContact C-O 3.39Å; G235-D237 PolarHBondContact O-N 3.04Å |
| 238 | F | 75.5 | Confident | 89 | Confident | 126 Ų | 126 | 51.3 Ų | 51.3 | 55% | 0.553 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 137.3 | 178.7 | -60.5 | -75.9 | 0 | 0 | 0 | 111.7 | R240 I392 L396 | F238-R240 PolarHBondContact O-N 3.08Å; F238-I392 HydrophobicContact CB-CG2 4.15Å; F238-I392 HydrophobicContact CD1-CG2 4Å; F238-I392 HydrophobicContact CG-CG2 4.26Å; F238-L396 HydrophobicContact CB-CD1 4.37Å; F238-L396 HydrophobicContact CD1-CD1 3.59Å; F238-L396 HydrophobicContact CD1-CD2 4.29Å; F238-L396 HydrophobicContact CD1-CG 4.43Å; F238-L396 HydrophobicContact CD2-CD1 3.37Å; F238-L396 HydrophobicContact CE1-CD1 3.6Å; F238-L396 HydrophobicContact CE1-CD2 3.47Å; F238-L396 VanDerWaalsContact CE1-CD2 3.47Å; F238-L396 HydrophobicContact CE1-CG 4.07Å; F238-L396 HydrophobicContact CE2-CD1 3.38Å; F238-L396 HydrophobicContact CE2-CD2 3.92Å; F238-L396 HydrophobicContact CE2-CG 4.27Å; F238-L396 HydrophobicContact CG-CD1 3.47Å; F238-L396 VanDerWaalsContact CG-CD1 3.47Å; F238-L396 HydrophobicContact CZ-CD1 3.5Å; F238-L396 HydrophobicContact CZ-CD2 3.25Å; F238-L396 HydrophobicContact CZ-CG 3.98Å |
| 239 | P | 84.1 | Confident | 89 | Confident | 70 Ų | 70 | 49 Ų | 49 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 131.4 | 179.5 | 25.6 | -33.6 | 0 | 0 | 0 | 109.5 | R233 I392 | R233-P239 VanDerWaalsContact O-CA 3.28Å; R233-P239 WeakPolarHBondContact O-CA 3.34Å; P239-I392 HydrophobicContact CG-CD1 3.97Å |
| 240 | R | 88.1 | Confident | 88.9 | Confident | 51 Ų | 51 | 48.9 Ų | 48.9 | 19% | 0.192 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 125.5 | -178.7 | 173.8 | 172.5 | -170.9 | -128.6 | 0.6 | 109.4 | D92 R233 F238 I242 E385 T389 | D92-R240 PolarHBondContact O-NH2 3.44Å; R233-R240 HydrophobicContact CB-CB 4.37Å; R233-R240 PolarHBondContact N-O 3.24Å; R233-R240 PolarHBondContact O-N 3.32Å; F238-R240 PolarHBondContact O-N 3.08Å; R240-I242 HydrophobicContact CG-CG1 4.14Å; R240-I242 VanDerWaalsContact NH2-CD1 3.29Å; R240-E385 IonicContact NE-OE2 2.83Å; R240-T389 HydrophobicContact CB-CG2 4.13Å; R240-T389 HydrophobicContact CG-CG2 3.88Å |
| 241 | T | 92.4 | Very high | 88.9 | Confident | 19 Ų | 19 | 46.6 Ų | 46.6 | 12% | 0.117 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 128.1 | 174.9 | -48.2 | 0 | 0 | 0 | 0 | 110.2 | H230 E231 E385 D386 T389 | H230-T241 WeakPolarHBondContact CE1-CG2 3.42Å; E231-T241 CarbonylContact O-C 3.51Å; E231-T241 VanDerWaalsContact O-CA 3.31Å; E231-T241 WeakPolarHBondContact O-CA 3.33Å; T241-E385 WeakPolarHBondContact O-CA 3.33Å; T241-E385 VanDerWaalsContact O-CB 3.23Å; T241-E385 WeakPolarHBondContact O-CB 3.38Å; T241-D386 WeakPolarHBondContact CB-OD2 3.47Å; T241-D386 WeakPolarHBondContact CG2-OD2 3.4Å; T241-D386 PolarHBondContact O-N 2.91Å; T241-D386 VanDerWaalsContact O-N 3.16Å; T241-T389 PolarHBondContact N-OG1 3.13Å |
| 242 | I | 92.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 139.3 | -178.5 | -53.3 | 166.9 | 0 | 0 | 0 | 109.2 | H230 E231 R240 N384 | H230-I242 WeakPolarHBondContact CA-O 3.42Å; E231-I242 HydrophobicContact CB-CB 4.31Å; E231-I242 HydrophobicContact CB-CD1 4.4Å; E231-I242 HydrophobicContact CG-CD1 4.4Å; E231-I242 PolarHBondContact N-O 3.1Å; E231-I242 PolarHBondContact O-N 3.25Å; E231-I242 WeakPolarHBondContact OE2-CD1 3.34Å; R240-I242 HydrophobicContact CG-CG1 4.14Å; R240-I242 VanDerWaalsContact NH2-CD1 3.29Å; I242-N384 WeakPolarHBondContact CA-O 3.45Å |
| 243 | N | 94.4 | Very high | 88.6 | Confident | 64 Ų | 64 | 43.6 Ų | 43.6 | 34% | 0.342 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 95.3 | 179.4 | -74.9 | -51.5 | 0 | 0 | 0 | 110.4 | H230 N384 D386 | H230-N243 PolarHBondContact ND1-OD1 3.4Å; N243-N384 PolarHBondContact N-O 3.05Å; N243-N384 WeakPolarHBondContact O-CB 3.41Å; N243-D386 PolarHBondContact ND2-OD1 3.15Å |
| 244 | S | 95.9 | Very high | 88.5 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.014 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 150.8 | -179.8 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | V90 Y94 Y229 | V90-S244 WeakPolarHBondContact CG1-OG 3.21Å; V90-S244 WeakPolarHBondContact O-CB 3.35Å; V90-S244 PolarHBondContact O-OG 3.4Å; Y94-S244 WeakPolarHBondContact O-CB 3.27Å; Y229-S244 WeakPolarHBondContact CD1-OG 3.4Å; Y229-S244 PolarHBondContact N-O 3.3Å; Y229-S244 PolarHBondContact O-N 3.39Å |
| 245 | K | 96.1 | Very high | 88.6 | Confident | 56 Ų | 56 | 40 Ų | 40 | 24% | 0.243 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 128.9 | 179.1 | -61.1 | 173.4 | -168.1 | 161.5 | 0 | 109.8 | N95 C96 D178 L227 Y228 | N95-K245 CarbonylContact C-O 3.55Å; N95-K245 VanDerWaalsContact CA-O 3.23Å; N95-K245 WeakPolarHBondContact CA-O 2.94Å; N95-K245 PolarHBondContact OD1-N 3.13Å; C96-K245 PolarHBondContact N-O 2.89Å; D178-K245 VanDerWaalsContact CG-NZ 3.35Å; D178-K245 IonicContact OD1-NZ 2.57Å; D178-K245 PolarHBondContact OD1-NZ 3.1Å; D178-K245 IonicContact OD2-NZ 2.79Å; L227-K245 CarbonylContact O-C 3.54Å; L227-K245 WeakPolarHBondContact O-CA 3.26Å; Y228-K245 HydrophobicContact CD1-CD 4.45Å; Y228-K245 HydrophobicContact CD1-CG 4.03Å; Y228-K245 HydrophobicContact CE1-CD 4.34Å; Y228-K245 HydrophobicContact CE1-CG 4.35Å |
| 246 | L | 98 | Very high | 88.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 113.7 | 169.7 | 173.1 | 60.6 | 0 | 0 | 0 | 109.9 | A86 V90 C96 L98 I125 L227 L248 | A86-L246 HydrophobicContact CB-CD1 4.28Å; V90-L246 HydrophobicContact CG2-CB 3.73Å; V90-L246 HydrophobicContact CG2-CD1 4.49Å; V90-L246 HydrophobicContact CG2-CD2 4.27Å; V90-L246 HydrophobicContact CG2-CG 4.38Å; C96-L246 HydrophobicContact CB-CD1 3.39Å; C96-L246 WeakPolarHBondContact O-CA 3.04Å; L98-L246 HydrophobicContact CD1-CD1 4.46Å; L98-L246 HydrophobicContact CG-CD1 4.32Å; I125-L246 HydrophobicContact CD1-CD2 4.42Å; I125-L246 HydrophobicContact CG2-CD2 3.28Å; L227-L246 HydrophobicContact CB-CB 4.19Å; L227-L246 HydrophobicContact CD1-CD2 4.04Å; L227-L246 HydrophobicContact CD1-CG 4.42Å; L227-L246 PolarHBondContact N-O 3.39Å; L227-L246 PolarHBondContact O-N 3.08Å; L246-L248 HydrophobicContact CD2-CD1 4.24Å; L246-L248 HydrophobicContact CG-CD1 3.9Å |
| 247 | C | 97.8 | Very high | 88.4 | Confident | 16 Ų | 16 | 40.6 Ų | 40.6 | 11% | 0.108 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 124.3 | -178.5 | -165.9 | 0 | 0 | 0 | 0 | 110.1 | C96 S97 L98 I224 C225 | C96-C247 PolarHBondContact O-N 3.25Å; S97-C247 CarbonylContact C-O 3.59Å; S97-C247 VanDerWaalsContact CA-O 3.3Å; S97-C247 WeakPolarHBondContact CA-O 3.35Å; L98-C247 PolarHBondContact N-O 3.37Å; I224-C247 WeakPolarHBondContact CG2-SG 3.32Å; C225-C247 CarbonylContact O-C 3.54Å; C225-C247 WeakPolarHBondContact O-CA 3.48Å |
| 248 | L | 98.5 | Very high | 88 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 121.9 | 173.6 | -64.6 | 105.2 | 0 | 0 | 0 | 109.5 | L98 I112 L121 I122 I125 C225 L227 L246 | L98-L248 HydrophobicContact CD1-CD2 4.05Å; L98-L248 HydrophobicContact CD1-CG 4.49Å; L98-L248 CarbonylContact O-C 3.41Å; L98-L248 WeakPolarHBondContact O-CA 3.46Å; I112-L248 HydrophobicContact CG2-CB 4.45Å; L121-L248 HydrophobicContact CB-CD2 3.86Å; I122-L248 HydrophobicContact CD1-CB 4.32Å; I122-L248 HydrophobicContact CG1-CB 3.92Å; I122-L248 HydrophobicContact CG1-CD1 4.31Å; I122-L248 HydrophobicContact CG1-CD2 3.83Å; I122-L248 HydrophobicContact CG1-CG 4.24Å; I125-L248 HydrophobicContact CD1-CD2 3.8Å; C225-L248 HydrophobicContact CB-CB 4.26Å; C225-L248 PolarHBondContact N-O 3.15Å; C225-L248 PolarHBondContact O-N 3.48Å; L227-L248 HydrophobicContact CD1-CD1 4.02Å; L246-L248 HydrophobicContact CD2-CD1 4.24Å; L246-L248 HydrophobicContact CG-CD1 3.9Å |
| 249 | I | 97.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 120.9 | -167.6 | -54.7 | 141.9 | 0 | 0 | 0 | 110 | S97 L98 F99 A100 V223 I224 L251 L338 | S97-I249 WeakPolarHBondContact OG-CD1 3.26Å; L98-I249 PolarHBondContact O-N 3.49Å; F99-I249 WeakPolarHBondContact CA-O 3.4Å; F99-I249 HydrophobicContact CB-CB 3.68Å; F99-I249 HydrophobicContact CB-CD1 3.82Å; F99-I249 HydrophobicContact CB-CG1 4.37Å; F99-I249 HydrophobicContact CB-CG2 4.22Å; A100-I249 PolarHBondContact N-O 2.89Å; V223-I249 CarbonylContact O-C 3.57Å; V223-I249 WeakPolarHBondContact O-CA 3.29Å; I224-I249 HydrophobicContact CG1-CG1 4.32Å; I224-I249 HydrophobicContact CG1-CG2 4.27Å; I224-I249 HydrophobicContact CG2-CG1 4.22Å; I249-L251 HydrophobicContact CG2-CD2 3.5Å; I249-L251 HydrophobicContact CG2-CG 3.88Å; I249-L338 HydrophobicContact CD1-CD2 3.3Å; I249-L338 HydrophobicContact CG1-CD2 4.13Å |
| 250 | D | 96.1 | Very high | 85.4 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 98.9 | 169.3 | -178.8 | 31.1 | 0 | 0 | 0 | 108.4 | K108 T109 I112 F113 R207 H222 V223 | K108-D250 VanDerWaalsContact CB-OD1 3.28Å; K108-D250 WeakPolarHBondContact CB-OD1 3.21Å; T109-D250 WeakPolarHBondContact CB-OD2 3.36Å; T109-D250 PolarHBondContact N-OD1 3.45Å; T109-D250 PolarHBondContact OG1-OD1 3.39Å; T109-D250 PolarHBondContact OG1-OD2 2.92Å; I112-D250 HydrophobicContact CB-CB 4.36Å; I112-D250 HydrophobicContact CG1-CB 4.35Å; I112-D250 HydrophobicContact CG2-CB 4.31Å; F113-D250 HydrophobicContact CE2-CB 4.19Å; R207-D250 IonicContact CZ-OD2 2.9Å; R207-D250 VanDerWaalsContact CZ-OD2 3.29Å; R207-D250 IonicContact NH1-OD2 2.93Å; R207-D250 PolarHBondContact NH1-OD2 3.2Å; R207-D250 IonicContact NH2-OD2 2.74Å; R207-D250 PolarHBondContact NH2-OD2 3.48Å; H222-D250 CarbonylContact C-O 3.52Å; H222-D250 WeakPolarHBondContact CA-O 3.37Å; V223-D250 HydrophobicContact CB-CB 4.42Å; V223-D250 PolarHBondContact N-O 2.91Å; V223-D250 PolarHBondContact O-N 2.78Å |
| 251 | L | 94.9 | Very high | 84.1 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 156 | -178.5 | -63.3 | 174.4 | 0 | 0 | 0 | 111.5 | F99 A100 Y101 K108 H222 I249 L279 L334 | F99-L251 HydrophobicContact CD2-CD1 3.97Å; A100-L251 WeakPolarHBondContact O-CB 3.22Å; A100-L251 PolarHBondContact O-N 3.01Å; Y101-L251 HydrophobicContact CD2-CD1 3.77Å; Y101-L251 HydrophobicContact CG-CD1 4.47Å; K108-L251 WeakPolarHBondContact CD-O 3.37Å; K108-L251 WeakPolarHBondContact CE-O 3.33Å; H222-L251 HydrophobicContact CB-CD2 4.45Å; H222-L251 WeakPolarHBondContact ND1-CA 3.14Å; H222-L251 WeakPolarHBondContact ND1-CD2 3.4Å; I249-L251 HydrophobicContact CG2-CD2 3.5Å; I249-L251 HydrophobicContact CG2-CG 3.88Å; L251-L279 HydrophobicContact CD1-CD2 3.99Å; L251-L334 HydrophobicContact CD2-CD1 3.95Å; L251-L334 HydrophobicContact CD2-CD2 3.81Å; L251-L334 HydrophobicContact CD2-CG 4.48Å |
| 252 | A | 91.8 | Very high | 82.6 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 160.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S219 H222 S254 I272 L276 | S219-A252 CarbonylContact O-C 3.59Å; S219-A252 WeakPolarHBondContact O-CA 3.28Å; S219-A252 WeakPolarHBondContact O-CB 3.27Å; H222-A252 WeakPolarHBondContact CE1-CB 3.36Å; H222-A252 PolarHBondContact CE1-N 2.99Å; H222-A252 VanDerWaalsContact CE1-N 3.35Å; H222-A252 PolarHBondContact ND1-N 3.27Å; A252-S254 PolarHBondContact O-N 3.47Å; A252-I272 HydrophobicContact CB-CG2 4.22Å; A252-L276 HydrophobicContact CB-CD1 4.33Å |
| 253 | G | 89.9 | Confident | 81.1 | Confident | 5 Ų | 5 | 54.8 Ų | 54.8 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 131.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S219 E255 L276 | S219-G253 PolarHBondContact O-N 2.69Å; G253-E255 WeakPolarHBondContact CA-OE2 3.4Å; G253-E255 PolarHBondContact O-N 3.28Å; G253-L276 WeakPolarHBondContact O-CD1 3.38Å |
| 254 | S | 87.5 | Confident | 79.4 | Confident | 14 Ų | 14 | 60 Ų | 60 | 10% | 0.098 | 30% | 0.303 | C | S | . | . | trans | -76.3 | -7.9 | 178.4 | 66.1 | 0 | 0 | 0 | 0 | 114.2 | G102 M103 A252 | G102-S254 PolarHBondContact O-N 3.45Å; G102-S254 VanDerWaalsContact O-N 3.11Å; G102-S254 PolarHBondContact O-OG 3.38Å; M103-S254 PolarHBondContact N-OG 3.42Å; M103-S254 VanDerWaalsContact N-OG 3.11Å; A252-S254 PolarHBondContact O-N 3.47Å | ||
| 255 | E | 84 | Confident | 77.9 | Confident | 63 Ų | 63 | 64 Ų | 64 | 29% | 0.294 | 32% | 0.318 | S | S | . | . | trans | -63.1 | 139.1 | -178.2 | 65.2 | -81.4 | -169.3 | 0 | 0 | 112.1 | M103 T104 G253 | M103-E255 VanDerWaalsContact CA-OE2 3.26Å; M103-E255 WeakPolarHBondContact CA-OE2 3.41Å; M103-E255 HydrophobicContact CB-CB 4.43Å; T104-E255 WeakPolarHBondContact CB-OE1 3.35Å; T104-E255 PolarHBondContact N-OE2 3.44Å; T104-E255 PolarHBondContact OG1-OE1 3.08Å; T104-E255 PolarHBondContact OG1-OE2 2.92Å; G253-E255 WeakPolarHBondContact CA-OE2 3.4Å; G253-E255 PolarHBondContact O-N 3.28Å | ||
| 256 | R | 70.3 | Confident | 76.2 | Confident | 174 Ų | 174 | 65.8 Ų | 65.8 | 66% | 0.657 | 33% | 0.326 | S | S | * | . | trans | -79.2 | 132 | 177.7 | -63.4 | 179.5 | -176.8 | 177.9 | 0.2 | 109.5 | H258 | R256-H258 PolarHBondContact O-N 3.13Š| ||
| 257 | V | 63.8 | Low | 74.5 | Confident | 52 Ų | 52 | 70 Ų | 70 | 32% | 0.315 | 35% | 0.349 | S | S | . | . | trans | -65.4 | 108.9 | 175.4 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | L260 | V257-L260 HydrophobicContact CG1-CD1 3.71Š| ||
| 258 | H | 58 | Low | 72.8 | Confident | 154 Ų | 154 | 70.8 Ų | 70.8 | 71% | 0.713 | 35% | 0.351 | S | S | * | . | trans | -64.4 | 151.6 | 168.3 | -64.3 | -62.2 | 0 | 0 | 0 | 109.4 | R256 L260 | R256-H258 PolarHBondContact O-N 3.13Å; H258-L260 WeakPolarHBondContact O-CD1 3.4Å; H258-L260 PolarHBondContact O-N 3.25Å | ||
| 259 | S | 49.6 | Very low | 71 | Confident | 112 Ų | 112 | 70.8 Ų | 70.8 | 78% | 0.783 | 35% | 0.351 | S | S | * | . | trans | -49.9 | 101.5 | -175.3 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 260 | L | 57.2 | Low | 69.5 | Low | 66 Ų | 66 | 77.6 Ų | 77.6 | 35% | 0.346 | 38% | 0.377 | S | S | . | . | trans | -83.9 | 138.6 | 170.7 | -91.3 | 75.8 | 0 | 0 | 0 | 108.9 | V257 H258 D262 R265 | V257-L260 HydrophobicContact CG1-CD1 3.71Å; H258-L260 WeakPolarHBondContact O-CD1 3.4Å; H258-L260 PolarHBondContact O-N 3.25Å; L260-D262 PolarHBondContact O-N 3.16Å; L260-D262 VanDerWaalsContact O-N 3.16Å; L260-R265 HydrophobicContact CD2-CB 3.65Å; L260-R265 VanDerWaalsContact CD2-CD 3.46Å; L260-R265 HydrophobicContact CD2-CG 4.22Å | ||
| 261 | N | 58.7 | Low | 68.2 | Low | 171 Ų | 171 | 82.7 Ų | 82.7 | 91% | 0.914 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -68.5 | -6.7 | 174.9 | -66.3 | -15.6 | 0 | 0 | 0 | 113.4 | ||
| 262 | D | 61.3 | Low | 66.6 | Low | 74 Ų | 74 | 83.1 Ų | 83.1 | 40% | 0.396 | 40% | 0.401 | S | S | . | . | trans | -102.2 | 108.1 | -175.7 | -170.1 | -2.6 | 0 | 0 | 0 | 110.8 | L260 K264 R265 F266 | L260-D262 PolarHBondContact O-N 3.16Å; L260-D262 VanDerWaalsContact O-N 3.16Å; D262-K264 PolarHBondContact O-N 3.37Å; D262-K264 PolarHBondContact OD1-N 2.89Å; D262-R265 HydrophobicContact CB-CB 4.2Å; D262-R265 HydrophobicContact CB-CG 4.19Å; D262-R265 PolarHBondContact O-N 2.87Å; D262-R265 VanDerWaalsContact O-N 3.13Å; D262-R265 IonicContact OD2-NE 2.64Å; D262-F266 WeakPolarHBondContact O-CB 3.37Å; D262-F266 PolarHBondContact O-N 3.01Å | ||
| 263 | N | 62.7 | Low | 65.6 | Low | 124 Ų | 124 | 84.8 Ų | 84.8 | 66% | 0.663 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -55.4 | -34.2 | -176.8 | -71.1 | -30.2 | 0 | 0 | 0 | 113.2 | N267 | N263-N267 WeakPolarHBondContact O-CB 3.31Å; N263-N267 VanDerWaalsContact O-CG 3.27Å; N263-N267 PolarHBondContact O-N 2.91Å; N263-N267 PolarHBondContact O-ND2 3.22Å |
| 264 | K | 58.5 | Low | 65.3 | Low | 173 Ų | 173 | 87.8 Ų | 87.8 | 75% | 0.752 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68.3 | -47.6 | 178.6 | -74.8 | -176.7 | 179.5 | 177.3 | 0 | 110.8 | D262 F266 N267 E268 | D262-K264 PolarHBondContact O-N 3.37Å; D262-K264 PolarHBondContact OD1-N 2.89Å; K264-F266 VanDerWaalsContact C-N 3.31Å; K264-F266 PolarHBondContact O-N 2.57Å; K264-N267 PolarHBondContact O-N 2.79Å; K264-E268 VanDerWaalsContact O-CB 3.29Å; K264-E268 WeakPolarHBondContact O-CB 3.37Å; K264-E268 PolarHBondContact O-N 3.3Å |
| 265 | R | 62.8 | Low | 65.3 | Low | 87 Ų | 87 | 87.2 Ų | 87.2 | 33% | 0.328 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66 | -34.5 | 176.1 | -64.9 | -178 | -178.9 | -129 | 4.1 | 112.1 | E216 R220 L260 D262 G269 | E216-R265 IonicContact OE1-NH1 3.72Å; E216-R265 PolarHBondContact OE1-NH1 3.37Å; E216-R265 IonicContact OE2-CZ 3.51Å; E216-R265 IonicContact OE2-NH1 3.41Å; E216-R265 PolarHBondContact OE2-NH1 2.89Å; R220-R265 PolarHBondContact NH2-O 3.22Å; L260-R265 HydrophobicContact CD2-CB 3.65Å; L260-R265 VanDerWaalsContact CD2-CD 3.46Å; L260-R265 HydrophobicContact CD2-CG 4.22Å; D262-R265 HydrophobicContact CB-CB 4.2Å; D262-R265 HydrophobicContact CB-CG 4.19Å; D262-R265 PolarHBondContact O-N 2.87Å; D262-R265 VanDerWaalsContact O-N 3.13Å; D262-R265 IonicContact OD2-NE 2.64Å; R265-G269 PolarHBondContact O-N 3.44Å |
| 266 | F | 60.8 | Low | 65.6 | Low | 92 Ų | 92 | 84.5 Ų | 84.5 | 40% | 0.404 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66 | -47.9 | 176 | -175.8 | -98.6 | 0 | 0 | 0 | 112 | D262 K264 E268 G269 R270 | D262-F266 WeakPolarHBondContact O-CB 3.37Å; D262-F266 PolarHBondContact O-N 3.01Å; K264-F266 VanDerWaalsContact C-N 3.31Å; K264-F266 PolarHBondContact O-N 2.57Å; F266-E268 PolarHBondContact O-N 2.9Å; F266-G269 PolarHBondContact O-N 3.23Å; F266-R270 PolarHBondContact O-N 3.4Å |
| 267 | N | 62.5 | Low | 66.4 | Low | 89 Ų | 89 | 79.5 Ų | 79.5 | 48% | 0.476 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 176.4 | -75.1 | -20.4 | 0 | 0 | 0 | 112.2 | N263 K264 R270 K271 | N263-N267 WeakPolarHBondContact O-CB 3.31Å; N263-N267 VanDerWaalsContact O-CG 3.27Å; N263-N267 PolarHBondContact O-N 2.91Å; N263-N267 PolarHBondContact O-ND2 3.22Å; K264-N267 PolarHBondContact O-N 2.79Å; N267-R270 WeakPolarHBondContact O-CB 3.46Å; N267-R270 PolarHBondContact O-N 2.89Å; N267-K271 PolarHBondContact O-N 3.23Å; N267-K271 VanDerWaalsContact O-N 3.11Å |
| 268 | E | 63 | Low | 67.7 | Low | 32 Ų | 32 | 77.4 Ų | 77.4 | 15% | 0.15 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 172.6 | -170.6 | -158.2 | 152.6 | 0 | 0 | 110.8 | Y153 R220 K264 F266 R270 K271 I272 | Y153-E268 HydrophobicContact CE2-CG 4.41Å; Y153-E268 WeakPolarHBondContact CE2-OE1 3.1Å; Y153-E268 PolarHBondContact OH-OE1 2.72Å; R220-E268 IonicContact CZ-OE1 3.6Å; R220-E268 IonicContact CZ-OE2 3.8Å; R220-E268 VanDerWaalsContact CZ-OE2 3.31Å; R220-E268 IonicContact NE-OE1 3.2Å; R220-E268 PolarHBondContact NE-OE1 2.8Å; R220-E268 IonicContact NH1-OE1 2.91Å; R220-E268 PolarHBondContact NH1-OE1 2.85Å; R220-E268 IonicContact NH1-OE2 2.75Å; R220-E268 PolarHBondContact NH1-OE2 2.71Å; R220-E268 IonicContact NH2-OE1 3.53Å; R220-E268 PolarHBondContact NH2-OE1 3.16Å; R220-E268 IonicContact NH2-OE2 3.9Å; R220-E268 PolarHBondContact NH2-OE2 3.02Å; K264-E268 VanDerWaalsContact O-CB 3.29Å; K264-E268 WeakPolarHBondContact O-CB 3.37Å; K264-E268 PolarHBondContact O-N 3.3Å; F266-E268 PolarHBondContact O-N 2.9Å; E268-R270 VanDerWaalsContact C-N 3.3Å; E268-R270 PolarHBondContact O-N 2.83Å; E268-K271 PolarHBondContact O-N 2.89Å; E268-K271 VanDerWaalsContact O-N 3.16Å; E268-I272 HydrophobicContact CG-CD1 3.85Å; E268-I272 WeakPolarHBondContact O-CD1 3.25Å; E268-I272 VanDerWaalsContact O-CG1 3.3Å; E268-I272 WeakPolarHBondContact O-CG1 3.45Å; E268-I272 PolarHBondContact O-N 2.98Å |
| 269 | G | 59.4 | Low | 69.4 | Low | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58 | -41.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R265 F266 K271 I272 N273 | R265-G269 PolarHBondContact O-N 3.44Å; F266-G269 PolarHBondContact O-N 3.23Å; G269-K271 VanDerWaalsContact C-N 3.34Å; G269-K271 PolarHBondContact O-N 3.42Å; G269-I272 PolarHBondContact O-N 3.37Å; G269-N273 WeakPolarHBondContact O-CB 3.4Å; G269-N273 PolarHBondContact O-N 3.19Å; G269-N273 PolarHBondContact O-ND2 2.69Å |
| 270 | R | 66.1 | Low | 71.4 | Confident | 144 Ų | 144 | 66.8 Ų | 66.8 | 54% | 0.543 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 176.5 | -165.6 | 177.2 | -179.6 | -168.1 | -1.2 | 112.3 | F266 N267 E268 L274 | F266-R270 PolarHBondContact O-N 3.4Å; N267-R270 WeakPolarHBondContact O-CB 3.46Å; N267-R270 PolarHBondContact O-N 2.89Å; E268-R270 VanDerWaalsContact C-N 3.3Å; E268-R270 PolarHBondContact O-N 2.83Å; R270-L274 PolarHBondContact O-N 3.42Å; R270-L274 VanDerWaalsContact O-N 3.09Å |
| 271 | K | 69 | Low | 73.1 | Confident | 107 Ų | 107 | 67 Ų | 67 | 47% | 0.465 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -79.7 | -34.9 | 178.7 | -75.8 | -177.8 | 171.1 | -172.2 | 0 | 113.6 | N154 N267 E268 G269 N273 L274 | N154-K271 WeakPolarHBondContact OD1-CB 3.38Å; N154-K271 WeakPolarHBondContact OD1-CD 3.34Å; N267-K271 PolarHBondContact O-N 3.23Å; N267-K271 VanDerWaalsContact O-N 3.11Å; E268-K271 PolarHBondContact O-N 2.89Å; E268-K271 VanDerWaalsContact O-N 3.16Å; G269-K271 VanDerWaalsContact C-N 3.34Å; G269-K271 PolarHBondContact O-N 3.42Å; K271-N273 VanDerWaalsContact C-N 3.35Å; K271-L274 VanDerWaalsContact O-CB 3.24Å; K271-L274 WeakPolarHBondContact O-CB 3.36Å; K271-L274 PolarHBondContact O-N 3.49Å |
| 272 | I | 61.6 | Low | 74.7 | Confident | 11 Ų | 11 | 58.9 Ų | 58.9 | 6% | 0.056 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.2 | -46.6 | 171.7 | -65.2 | 156.5 | 0 | 0 | 0 | 109.6 | R220 A252 E268 G269 L274 S275 | R220-I272 HydrophobicContact CB-CD1 3.58Å; R220-I272 HydrophobicContact CB-CG1 4.49Å; R220-I272 HydrophobicContact CG-CD1 3.96Å; R220-I272 WeakPolarHBondContact O-CG1 3.34Å; A252-I272 HydrophobicContact CB-CG2 4.22Å; E268-I272 HydrophobicContact CG-CD1 3.85Å; E268-I272 WeakPolarHBondContact O-CD1 3.25Å; E268-I272 VanDerWaalsContact O-CG1 3.3Å; E268-I272 WeakPolarHBondContact O-CG1 3.45Å; E268-I272 PolarHBondContact O-N 2.98Å; G269-I272 PolarHBondContact O-N 3.37Å; I272-L274 PolarHBondContact O-N 3.35Å; I272-S275 PolarHBondContact O-N 2.97Å; I272-S275 PolarHBondContact O-OG 3.41Å |
| 273 | N | 70 | Confident | 76.2 | Confident | 35 Ų | 35 | 55.3 Ų | 55.3 | 19% | 0.187 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.5 | -17.5 | 176.6 | -67.7 | -28.5 | 0 | 0 | 0 | 112.5 | G269 K271 S277 | G269-N273 WeakPolarHBondContact O-CB 3.4Å; G269-N273 PolarHBondContact O-N 3.19Å; G269-N273 PolarHBondContact O-ND2 2.69Å; K271-N273 VanDerWaalsContact C-N 3.35Å; N273-S277 WeakPolarHBondContact O-CA 3.07Å; N273-S277 WeakPolarHBondContact O-CB 3.34Å; N273-S277 PolarHBondContact O-N 2.85Å; N273-S277 PolarHBondContact O-OG 2.97Å |
| 274 | L | 83.7 | Confident | 77.6 | Confident | 68 Ų | 68 | 50 Ų | 50 | 36% | 0.356 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.8 | -52.6 | 173.1 | -180 | 60.7 | 0 | 0 | 0 | 110.9 | E155 R270 K271 I272 L276 S277 C278 | E155-L274 HydrophobicContact CG-CD2 3.96Å; R270-L274 PolarHBondContact O-N 3.42Å; R270-L274 VanDerWaalsContact O-N 3.09Å; K271-L274 VanDerWaalsContact O-CB 3.24Å; K271-L274 WeakPolarHBondContact O-CB 3.36Å; K271-L274 PolarHBondContact O-N 3.49Å; I272-L274 PolarHBondContact O-N 3.35Å; L274-L276 PolarHBondContact O-N 2.83Å; L274-S277 PolarHBondContact O-N 3.28Å; L274-C278 WeakPolarHBondContact O-CB 3.43Å; L274-C278 PolarHBondContact O-N 3.33Å |
| 275 | S | 88.9 | Confident | 79.2 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.014 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.4 | -47.5 | 178.5 | 60.6 | 0 | 0 | 0 | 0 | 113 | E155 H222 I272 C278 L279 | E155-S275 VanDerWaalsContact OE1-CB 3.31Å; E155-S275 WeakPolarHBondContact OE1-CB 3.46Å; H222-S275 PolarHBondContact NE2-OG 3.39Å; I272-S275 PolarHBondContact O-N 2.97Å; I272-S275 PolarHBondContact O-OG 3.41Å; S275-C278 PolarHBondContact O-N 2.98Å; S275-L279 VanDerWaalsContact O-CB 3.28Å; S275-L279 WeakPolarHBondContact O-CB 3.38Å; S275-L279 PolarHBondContact O-N 2.82Å |
| 276 | L | 89.7 | Confident | 80.6 | Confident | 7 Ų | 7 | 41.7 Ų | 41.7 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.5 | -35.6 | -178.7 | -71.6 | 177.7 | 0 | 0 | 0 | 113.1 | Y101 A252 G253 L274 L279 S280 | Y101-L276 HydrophobicContact CE2-CD2 4.12Å; A252-L276 HydrophobicContact CB-CD1 4.33Å; G253-L276 WeakPolarHBondContact O-CD1 3.38Å; L274-L276 PolarHBondContact O-N 2.83Å; L276-L279 HydrophobicContact CD2-CD2 4.37Å; L276-L279 PolarHBondContact O-N 3.49Å; L276-S280 WeakPolarHBondContact O-CB 3.38Å; L276-S280 PolarHBondContact O-N 2.96Å; L276-S280 PolarHBondContact O-OG 2.83Å |
| 277 | S | 87.3 | Confident | 81.9 | Confident | 68 Ų | 68 | 37.8 Ų | 37.8 | 48% | 0.476 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.9 | -42.7 | 173.7 | -59 | 0 | 0 | 0 | 0 | 110.4 | N273 L274 L279 S280 T281 | N273-S277 WeakPolarHBondContact O-CA 3.07Å; N273-S277 WeakPolarHBondContact O-CB 3.34Å; N273-S277 PolarHBondContact O-N 2.85Å; N273-S277 PolarHBondContact O-OG 2.97Å; L274-S277 PolarHBondContact O-N 3.28Å; S277-L279 VanDerWaalsContact C-N 3.33Å; S277-L279 PolarHBondContact O-N 3.03Å; S277-S280 WeakPolarHBondContact O-CB 3.41Å; S277-S280 PolarHBondContact O-N 3.32Å; S277-T281 PolarHBondContact O-N 2.86Å; S277-T281 PolarHBondContact O-OG1 3.48Å; S277-T281 VanDerWaalsContact O-OG1 3.11Å |
| 278 | C | 90.7 | Very high | 83.1 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 5% | 0.054 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.1 | -44.5 | 173.9 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | L274 S275 S280 T281 V282 N331 T335 | L274-C278 WeakPolarHBondContact O-CB 3.43Å; L274-C278 PolarHBondContact O-N 3.33Å; S275-C278 PolarHBondContact O-N 2.98Å; C278-S280 VanDerWaalsContact C-N 3.31Å; C278-S280 PolarHBondContact O-N 2.88Å; C278-T281 WeakPolarHBondContact O-CB 3.47Å; C278-T281 PolarHBondContact O-N 3.4Å; C278-V282 WeakPolarHBondContact O-CG2 3.49Å; C278-V282 PolarHBondContact O-N 3.26Å; C278-N331 WeakPolarHBondContact SG-CB 3.47Å; C278-T335 HydrophobicContact CB-CG2 4.2Å; C278-T335 PolarHBondContact SG-OG1 3.46Å |
| 279 | L | 94 | Very high | 84 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.3 | -42.3 | 175.7 | -171.4 | 70.9 | 0 | 0 | 0 | 111.4 | L251 S275 L276 S277 T281 V282 I283 L334 T335 L338 L342 Y370 | L251-L279 HydrophobicContact CD1-CD2 3.99Å; S275-L279 VanDerWaalsContact O-CB 3.28Å; S275-L279 WeakPolarHBondContact O-CB 3.38Å; S275-L279 PolarHBondContact O-N 2.82Å; L276-L279 HydrophobicContact CD2-CD2 4.37Å; L276-L279 PolarHBondContact O-N 3.49Å; S277-L279 VanDerWaalsContact C-N 3.33Å; S277-L279 PolarHBondContact O-N 3.03Å; L279-T281 PolarHBondContact O-N 3.27Å; L279-V282 PolarHBondContact O-N 3.08Å; L279-I283 WeakPolarHBondContact O-CG1 3.47Å; L279-I283 PolarHBondContact O-N 2.78Å; L279-L334 HydrophobicContact CD2-CD2 4.32Å; L279-T335 VanDerWaalsContact CA-CG2 3.42Å; L279-T335 HydrophobicContact CB-CG2 3.82Å; L279-T335 HydrophobicContact CD1-CG2 3.78Å; L279-T335 HydrophobicContact CG-CG2 4.41Å; L279-L338 HydrophobicContact CD1-CD1 3.93Å; L279-L342 HydrophobicContact CD1-CD1 3.56Å; L279-Y370 WeakPolarHBondContact CD2-OH 3.34Å; L279-Y370 WeakPolarHBondContact CG-OH 3.31Å |
| 280 | S | 91 | Very high | 84.4 | Confident | 42 Ų | 42 | 43.4 Ų | 43.4 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.6 | -42.5 | 174.7 | -54.6 | 0 | 0 | 0 | 0 | 112.1 | L276 S277 C278 I283 G284 | L276-S280 WeakPolarHBondContact O-CB 3.38Å; L276-S280 PolarHBondContact O-N 2.96Å; L276-S280 PolarHBondContact O-OG 2.83Å; S277-S280 WeakPolarHBondContact O-CB 3.41Å; S277-S280 PolarHBondContact O-N 3.32Å; C278-S280 VanDerWaalsContact C-N 3.31Å; C278-S280 PolarHBondContact O-N 2.88Å; S280-I283 PolarHBondContact O-N 2.92Å; S280-G284 PolarHBondContact O-N 3.25Å |
| 281 | T | 92.2 | Very high | 84.3 | Confident | 70 Ų | 70 | 39.3 Ų | 39.3 | 43% | 0.429 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.8 | -42 | 175.3 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | S277 C278 L279 K285 P328 | S277-T281 PolarHBondContact O-N 2.86Å; S277-T281 PolarHBondContact O-OG1 3.48Å; S277-T281 VanDerWaalsContact O-OG1 3.11Å; C278-T281 WeakPolarHBondContact O-CB 3.47Å; C278-T281 PolarHBondContact O-N 3.4Å; L279-T281 PolarHBondContact O-N 3.27Å; T281-K285 HydrophobicContact CG2-CD 4.48Å; T281-K285 WeakPolarHBondContact O-CB 3.25Å; T281-K285 WeakPolarHBondContact O-CG 3.12Å; T281-K285 PolarHBondContact O-N 3.32Å; T281-P328 HydrophobicContact CG2-CG 4.22Å |
| 282 | V | 93.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.7 | -46.3 | 177.2 | 165.6 | 0 | 0 | 0 | 0 | 110.7 | C278 L279 K285 L286 I327 P328 Y329 T335 L342 | C278-V282 WeakPolarHBondContact O-CG2 3.49Å; C278-V282 PolarHBondContact O-N 3.26Å; L279-V282 PolarHBondContact O-N 3.08Å; V282-K285 PolarHBondContact O-N 3.47Å; V282-L286 HydrophobicContact CG1-CD1 3.77Å; V282-L286 HydrophobicContact CG1-CG 4.4Å; V282-L286 WeakPolarHBondContact O-CB 3.29Å; V282-L286 VanDerWaalsContact O-CG 3.27Å; V282-L286 WeakPolarHBondContact O-CG 3.43Å; V282-L286 PolarHBondContact O-N 2.99Å; V282-I327 HydrophobicContact CB-CG2 4.37Å; V282-I327 HydrophobicContact CG1-CG2 3.79Å; V282-I327 HydrophobicContact CG2-CG2 4.17Å; V282-P328 HydrophobicContact CG2-CG 4.26Å; V282-Y329 HydrophobicContact CG1-CD1 3.85Å; V282-Y329 HydrophobicContact CG1-CE1 3.52Å; V282-Y329 HydrophobicContact CG2-CD1 4.39Å; V282-T335 HydrophobicContact CG2-CG2 4.12Å; V282-L342 HydrophobicContact CG1-CD1 4.36Å |
| 283 | I | 93.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.6 | -46 | 177.3 | -70.5 | -153.3 | 0 | 0 | 0 | 111.5 | L279 S280 K285 L286 A287 L342 Y370 Q373 A374 I377 | L279-I283 WeakPolarHBondContact O-CG1 3.47Å; L279-I283 PolarHBondContact O-N 2.78Å; S280-I283 PolarHBondContact O-N 2.92Å; I283-K285 PolarHBondContact O-N 3.32Å; I283-L286 PolarHBondContact O-N 3.5Å; I283-A287 WeakPolarHBondContact O-CB 3.35Å; I283-A287 PolarHBondContact O-N 2.96Å; I283-L342 HydrophobicContact CD1-CD2 4.47Å; I283-L342 HydrophobicContact CG1-CD1 4.4Å; I283-Y370 HydrophobicContact CD1-CD1 4.48Å; I283-Y370 HydrophobicContact CD1-CE1 3.52Å; I283-Y370 HydrophobicContact CD1-CE2 4.31Å; I283-Y370 VanDerWaalsContact CD1-CZ 3.41Å; I283-Y370 WeakPolarHBondContact CD1-OH 3.31Å; I283-Q373 HydrophobicContact CG2-CB 3.83Å; I283-A374 HydrophobicContact CD1-CB 3.94Å; I283-A374 HydrophobicContact CG2-CB 4.22Å; I283-I377 HydrophobicContact CB-CD1 4.09Å; I283-I377 HydrophobicContact CD1-CD1 4.07Å; I283-I377 HydrophobicContact CG1-CD1 3.8Å; I283-I377 HydrophobicContact CG2-CD1 3.99Å |
| 284 | G | 92.1 | Very high | 82.9 | Confident | 12 Ų | 12 | 45 Ų | 45 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.3 | -48.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S280 A287 E288 | S280-G284 PolarHBondContact O-N 3.25Å; G284-A287 PolarHBondContact O-N 2.9Å; G284-E288 WeakPolarHBondContact O-CG 3.36Å; G284-E288 PolarHBondContact O-N 3.14Å |
| 285 | K | 91.8 | Very high | 81.1 | Confident | 76 Ų | 76 | 47 Ų | 47 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 175.7 | -74.3 | -171.2 | 171.7 | -166.7 | 0 | 112.4 | T281 V282 I283 A287 E288 R289 F325 I327 P328 | T281-K285 HydrophobicContact CG2-CD 4.48Å; T281-K285 WeakPolarHBondContact O-CB 3.25Å; T281-K285 WeakPolarHBondContact O-CG 3.12Å; T281-K285 PolarHBondContact O-N 3.32Å; V282-K285 PolarHBondContact O-N 3.47Å; I283-K285 PolarHBondContact O-N 3.32Å; K285-A287 VanDerWaalsContact C-N 3.29Å; K285-A287 PolarHBondContact O-N 2.89Å; K285-E288 PolarHBondContact O-N 2.96Å; K285-R289 WeakPolarHBondContact O-CB 3.4Å; K285-R289 PolarHBondContact O-N 2.86Å; K285-F325 HydrophobicContact CB-CE1 4.2Å; K285-F325 HydrophobicContact CB-CZ 4.23Å; K285-F325 WeakPolarHBondContact O-CE1 3.42Å; K285-F325 WeakPolarHBondContact O-CZ 3.47Å; K285-I327 HydrophobicContact CB-CD1 3.91Å; K285-P328 HydrophobicContact CD-CG 4.35Å |
| 286 | L | 91.3 | Very high | 78.8 | Confident | 10 Ų | 10 | 52.3 Ų | 52.3 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.3 | -35.2 | 177.7 | -75.7 | 171.3 | 0 | 0 | 0 | 112.5 | V282 I283 R289 I327 Y329 L342 I377 | V282-L286 HydrophobicContact CG1-CD1 3.77Å; V282-L286 HydrophobicContact CG1-CG 4.4Å; V282-L286 WeakPolarHBondContact O-CB 3.29Å; V282-L286 VanDerWaalsContact O-CG 3.27Å; V282-L286 WeakPolarHBondContact O-CG 3.43Å; V282-L286 PolarHBondContact O-N 2.99Å; I283-L286 PolarHBondContact O-N 3.5Å; L286-R289 WeakPolarHBondContact O-CB 3.23Å; L286-I327 HydrophobicContact CD2-CD1 3.7Å; L286-I327 HydrophobicContact CD2-CG1 3.85Å; L286-I327 HydrophobicContact CD2-CG2 4.39Å; L286-I327 HydrophobicContact CG-CD1 4Å; L286-I327 HydrophobicContact CG-CG1 4.43Å; L286-I327 HydrophobicContact CG-CG2 4.22Å; L286-Y329 HydrophobicContact CD1-CE1 4.37Å; L286-Y329 WeakPolarHBondContact CD2-OH 3.45Å; L286-L342 HydrophobicContact CD1-CB 3.88Å; L286-I377 HydrophobicContact CB-CD1 3.92Å; L286-I377 HydrophobicContact CB-CG1 3.77Å; L286-I377 HydrophobicContact CB-CG2 4.28Å; L286-I377 HydrophobicContact CD1-CD1 4.01Å; L286-I377 HydrophobicContact CD1-CG2 4.17Å |
| 287 | A | 89.2 | Confident | 76.4 | Confident | 10 Ų | 10 | 55.8 Ų | 55.8 | 8% | 0.083 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.1 | -45 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I283 G284 K285 R289 N290 Q373 L376 | I283-A287 WeakPolarHBondContact O-CB 3.35Å; I283-A287 PolarHBondContact O-N 2.96Å; G284-A287 PolarHBondContact O-N 2.9Å; K285-A287 VanDerWaalsContact C-N 3.29Å; K285-A287 PolarHBondContact O-N 2.89Å; A287-R289 VanDerWaalsContact C-N 3.35Å; A287-R289 PolarHBondContact O-N 3.06Å; A287-N290 PolarHBondContact O-N 3.33Å; A287-Q373 HydrophobicContact CB-CB 4.39Å; A287-L376 HydrophobicContact CB-CB 3.97Å; A287-L376 HydrophobicContact CB-CD1 4.14Å |
| 288 | E | 85.8 | Confident | 73.9 | Confident | 107 Ų | 107 | 60 Ų | 60 | 50% | 0.5 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 176.3 | -75.1 | 171 | -169.8 | 0 | 0 | 112.4 | G284 K285 N290 S291 I292 F325 | G284-E288 WeakPolarHBondContact O-CG 3.36Å; G284-E288 PolarHBondContact O-N 3.14Å; K285-E288 PolarHBondContact O-N 2.96Å; E288-N290 PolarHBondContact O-N 3.35Å; E288-N290 VanDerWaalsContact O-N 3.13Å; E288-S291 WeakPolarHBondContact O-CA 3.33Å; E288-S291 WeakPolarHBondContact O-CB 3.23Å; E288-S291 PolarHBondContact O-N 2.9Å; E288-S291 PolarHBondContact O-OG 3.46Å; E288-I292 WeakPolarHBondContact O-CG1 3.24Å; E288-I292 PolarHBondContact O-N 2.98Å; E288-F325 HydrophobicContact CB-CZ 4.25Å |
| 289 | R | 82.2 | Confident | 71.4 | Confident | 93 Ų | 93 | 66.9 Ų | 66.9 | 35% | 0.351 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -47.2 | -46.1 | 176.2 | -167.6 | 176.5 | 166.4 | 111.8 | 1.6 | 111.1 | K285 L286 A287 S291 I292 F293 F325 | K285-R289 WeakPolarHBondContact O-CB 3.4Å; K285-R289 PolarHBondContact O-N 2.86Å; L286-R289 WeakPolarHBondContact O-CB 3.23Å; A287-R289 VanDerWaalsContact C-N 3.35Å; A287-R289 PolarHBondContact O-N 3.06Å; R289-S291 VanDerWaalsContact C-N 3.33Å; R289-S291 PolarHBondContact O-N 3.49Å; R289-I292 PolarHBondContact O-N 3.34Å; R289-F293 HydrophobicContact CG-CD2 3.8Å; R289-F293 HydrophobicContact CG-CE2 3.48Å; R289-F293 VanDerWaalsContact CG-CE2 3.48Å; R289-F293 WeakPolarHBondContact O-CD2 3.22Å; R289-F293 PolarHBondContact O-N 3.48Å; R289-F325 HydrophobicContact CB-CD1 3.85Å; R289-F325 HydrophobicContact CB-CE1 3.37Å; R289-F325 HydrophobicContact CB-CZ 3.79Å; R289-F325 HydrophobicContact CG-CD1 3.66Å; R289-F325 HydrophobicContact CG-CE1 3.76Å; R289-F325 HydrophobicContact CG-CG 4.26Å; R289-F325 HydrophobicContact CG-CZ 4.43Å |
| 290 | N | 68.4 | Low | 68.5 | Low | 40 Ų | 40 | 71.2 Ų | 71.2 | 21% | 0.214 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -74.7 | -22.3 | -176.5 | -72 | -21.6 | 0 | 0 | 0 | 113.4 | A287 E288 S294 L376 K378 | A287-N290 PolarHBondContact O-N 3.33Å; E288-N290 PolarHBondContact O-N 3.35Å; E288-N290 VanDerWaalsContact O-N 3.13Å; N290-S294 PolarHBondContact O-OG 3.19Å; N290-L376 PolarHBondContact ND2-O 3.33Å; N290-K378 PolarHBondContact ND2-N 2.99Å |
| 291 | S | 64.3 | Low | 65.8 | Low | 57 Ų | 57 | 72.7 Ų | 72.7 | 40% | 0.399 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -78.4 | -32.7 | 172.6 | 70.8 | 0 | 0 | 0 | 0 | 113 | E288 R289 S294 N295 | E288-S291 WeakPolarHBondContact O-CA 3.33Å; E288-S291 WeakPolarHBondContact O-CB 3.23Å; E288-S291 PolarHBondContact O-N 2.9Å; E288-S291 PolarHBondContact O-OG 3.46Å; R289-S291 VanDerWaalsContact C-N 3.33Å; R289-S291 PolarHBondContact O-N 3.49Å; S291-S294 VanDerWaalsContact C-OG 3.28Å; S291-S294 WeakPolarHBondContact CA-OG 3.44Å; S291-S294 PolarHBondContact O-OG 3.04Å; S291-N295 PolarHBondContact O-N 3.27Å; S291-N295 PolarHBondContact O-ND2 3.02Å |
| 292 | I | 61.1 | Low | 62.9 | Low | 62 Ų | 62 | 77.8 Ų | 77.8 | 32% | 0.318 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -73.6 | -46.7 | -179 | -64.4 | 163 | 0 | 0 | 0 | 110.2 | E288 R289 S294 N295 D296 F325 | E288-I292 WeakPolarHBondContact O-CG1 3.24Å; E288-I292 PolarHBondContact O-N 2.98Å; R289-I292 PolarHBondContact O-N 3.34Å; I292-S294 PolarHBondContact O-N 3.14Å; I292-S294 VanDerWaalsContact O-N 3.08Å; I292-N295 PolarHBondContact O-N 3.3Å; I292-D296 VanDerWaalsContact CG2-OD2 3.25Å; I292-D296 WeakPolarHBondContact CG2-OD2 3.42Å; I292-D296 PolarHBondContact O-N 3.49Å; I292-F325 HydrophobicContact CD1-CD2 4.02Å; I292-F325 HydrophobicContact CD1-CE2 3.5Å; I292-F325 VanDerWaalsContact CD1-CE2 3.5Å; I292-F325 HydrophobicContact CD1-CZ 4.42Å |
| 293 | F | 56.4 | Low | 60 | Low | 133 Ų | 133 | 82.5 Ų | 82.5 | 58% | 0.583 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.6 | -13.9 | 177.1 | -72.9 | -64.7 | 0 | 0 | 0 | 114.2 | R289 | R289-F293 HydrophobicContact CG-CD2 3.8Å; R289-F293 HydrophobicContact CG-CE2 3.48Å; R289-F293 VanDerWaalsContact CG-CE2 3.48Å; R289-F293 WeakPolarHBondContact O-CD2 3.22Å; R289-F293 PolarHBondContact O-N 3.48Å |
| 294 | S | 53.6 | Low | 57 | Low | 78 Ų | 78 | 87.9 Ų | 87.9 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -86.7 | -22.3 | 170.5 | 34.5 | 0 | 0 | 0 | 0 | 114.2 | N290 S291 I292 | N290-S294 PolarHBondContact O-OG 3.19Å; S291-S294 VanDerWaalsContact C-OG 3.28Å; S291-S294 WeakPolarHBondContact CA-OG 3.44Å; S291-S294 PolarHBondContact O-OG 3.04Å; I292-S294 PolarHBondContact O-N 3.14Å; I292-S294 VanDerWaalsContact O-N 3.08Å |
| 295 | N | 46 | Very low | 53.9 | Low | 109 Ų | 109 | 96.3 Ų | 96.3 | 58% | 0.583 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -115 | -4.2 | -171 | -62.8 | -13.7 | 0 | 0 | 0 | 114.3 | S291 I292 S297 | S291-N295 PolarHBondContact O-N 3.27Å; S291-N295 PolarHBondContact O-ND2 3.02Å; I292-N295 PolarHBondContact O-N 3.3Å; N295-S297 PolarHBondContact O-N 3.27Å; N295-S297 VanDerWaalsContact O-N 3.15Å |
| 296 | D | 41.2 | Very low | 50.9 | Low | 115 Ų | 115 | 97.5 Ų | 97.5 | 62% | 0.615 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 16.3 | 175.2 | -81.7 | -14.2 | 0 | 0 | 0 | 113.8 | I292 E298 | I292-D296 VanDerWaalsContact CG2-OD2 3.25Å; I292-D296 WeakPolarHBondContact CG2-OD2 3.42Å; I292-D296 PolarHBondContact O-N 3.49Å; D296-E298 PolarHBondContact O-N 2.97Å |
| 297 | S | 39 | Very low | 48 | Very low | 80 Ų | 80 | 103 Ų | 103 | 56% | 0.559 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 99.8 | 147.5 | -117.9 | 0 | 0 | 0 | 0 | 108.2 | N295 L299 | N295-S297 PolarHBondContact O-N 3.27Å; N295-S297 VanDerWaalsContact O-N 3.15Å; S297-L299 PolarHBondContact O-N 2.96Å |
| 298 | E | 33.8 | Very low | 45.2 | Very low | 155 Ų | 155 | 109.6 Ų | 109.6 | 72% | 0.724 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.1 | -9.9 | 154.7 | -54.2 | -147.1 | 132.8 | 0 | 0 | 123.1 | D296 A300 | D296-E298 PolarHBondContact O-N 2.97Å; E298-A300 PolarHBondContact O-N 2.93Å |
| 299 | L | 39.9 | Very low | 42.5 | Very low | 153 Ų | 153 | 112.3 Ų | 112.3 | 80% | 0.801 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -89.8 | -0.8 | -174.2 | -131.5 | 78.6 | 0 | 0 | 0 | 117.4 | S297 | S297-L299 PolarHBondContact O-N 2.96Š|
| 300 | A | 32.7 | Very low | 39.9 | Very low | 94 Ų | 94 | 113.6 Ų | 113.6 | 78% | 0.777 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -82.3 | -9.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E298 | E298-A300 PolarHBondContact O-N 2.93Š|
| 301 | A | 34.2 | Very low | 38.1 | Very low | 72 Ų | 72 | 117.6 Ų | 117.6 | 60% | 0.595 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -90.8 | -11.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 302 | H | 30.9 | Very low | 36.3 | Very low | 177 Ų | 177 | 126.9 Ų | 126.9 | 82% | 0.819 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -129.6 | 13 | -170.9 | -69.6 | -53.1 | 0 | 0 | 0 | 117.1 | S304 | H302-S304 PolarHBondContact O-N 3.15Š|
| 303 | S | 33 | Very low | 34.8 | Very low | 100 Ų | 100 | 128.6 Ų | 128.6 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | trans | -98.3 | 62.7 | 171.1 | -168 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 304 | S | 29.8 | Very low | 33.6 | Very low | 113 Ų | 113 | 127 Ų | 127 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -106 | 34.9 | 165.2 | -54.6 | 0 | 0 | 0 | 0 | 110.2 | H302 | H302-S304 PolarHBondContact O-N 3.15Š|
| 305 | Q | 27.3 | Very low | 32.6 | Very low | 188 Ų | 188 | 131.4 Ų | 131.4 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | trans | -163.9 | 59.1 | 179.2 | -122.9 | 166.1 | 12.3 | 0 | 0 | 113.3 | ||||
| 306 | S | 29.8 | Very low | 31.9 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -142.8 | 71 | 158.9 | -162.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 307 | T | 28.7 | Very low | 31.4 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -67 | 137.1 | 156.6 | 50.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 308 | L | 32 | Very low | 31 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 99.1 | 82.9 | 177.1 | -50.7 | 160.9 | 0 | 0 | 0 | 112.9 | ||
| 309 | N | 28.5 | Very low | 31 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 163.1 | 13.9 | 139.5 | -77.8 | -13.5 | 0 | 0 | 0 | 114.8 | ||
| 310 | S | 28.1 | Very low | 30.7 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -112.9 | 96.1 | 164.4 | -152.1 | 0 | 0 | 0 | 0 | 110.3 | R312 | S310-R312 PolarHBondContact O-N 3.25Š| ||
| 311 | T | 30.1 | Very low | 30.8 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | trans | -66.7 | 108.1 | 179.1 | 40.5 | 0 | 0 | 0 | 0 | 111.1 | S313 | T311-S313 PolarHBondContact O-N 2.87Š| ||
| 312 | R | 26.7 | Very low | 31 | Very low | 253 Ų | 253 | 140.4 Ų | 140.4 | 96% | 0.955 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 61.9 | 36.2 | 138.6 | -69.2 | 176.8 | 75.3 | 174.7 | 3.6 | 119.4 | S310 | S310-R312 PolarHBondContact O-N 3.25Š|
| 313 | S | 30.1 | Very low | 31.6 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -127.2 | 121.9 | 152.2 | 64.1 | 0 | 0 | 0 | 0 | 110.1 | T311 | T311-S313 PolarHBondContact O-N 2.87Š|
| 314 | S | 30.9 | Very low | 32.5 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | 84.4 | 72.1 | -178.4 | 79.5 | 0 | 0 | 0 | 0 | 116.8 | H316 | S314-H316 PolarHBondContact O-N 3.28Š| ||
| 315 | L | 32.4 | Very low | 34.7 | Very low | 170 Ų | 170 | 133.9 Ų | 133.9 | 89% | 0.89 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -75.7 | 4 | 156.4 | -157 | 66.6 | 0 | 0 | 0 | 112.2 | ||
| 316 | H | 30 | Very low | 37.5 | Very low | 184 Ų | 184 | 131.3 Ų | 131.3 | 85% | 0.852 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -139.2 | 62.4 | -179.5 | -78.7 | -1.8 | 0 | 0 | 0 | 112 | S314 | S314-H316 PolarHBondContact O-N 3.28Š|
| 317 | S | 32.4 | Very low | 40.4 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | trans | -152.3 | 39.2 | 163.3 | -172.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 318 | S | 30.5 | Very low | 43.4 | Very low | 104 Ų | 104 | 121.6 Ų | 121.6 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | trans | -100.8 | 21.5 | 176.6 | 63.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 319 | T | 32.6 | Very low | 46.3 | Very low | 113 Ų | 113 | 116 Ų | 116 | 69% | 0.693 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -108.2 | 84.3 | 179.4 | -30.9 | 0 | 0 | 0 | 0 | 110.2 | H321 | T319-H321 VanDerWaalsContact C-N 3.28Å; T319-H321 PolarHBondContact O-N 2.98Å |
| 320 | H | 33.4 | Very low | 49.3 | Very low | 178 Ų | 178 | 116 Ų | 116 | 82% | 0.824 | 64% | 0.637 | S | S | * | * | trans | 32.8 | 40.3 | 137.3 | -66.7 | -75.4 | 0 | 0 | 0 | 120.7 | ||||
| 321 | H | 35.7 | Very low | 52.3 | Low | 163 Ų | 163 | 115 Ų | 115 | 76% | 0.755 | 62% | 0.622 | S | S | * | * | trans | -104.3 | 118.9 | 149 | -67.3 | -62.9 | 0 | 0 | 0 | 105.9 | T319 S323 | T319-H321 VanDerWaalsContact C-N 3.28Å; T319-H321 PolarHBondContact O-N 2.98Å; H321-S323 PolarHBondContact O-N 3.38Å | ||
| 322 | S | 38.2 | Very low | 55.4 | Low | 125 Ų | 125 | 109.3 Ų | 109.3 | 87% | 0.874 | 59% | 0.587 | S | S | * | * | trans | -46.4 | 82 | 148.1 | 155.1 | 0 | 0 | 0 | 0 | 106.2 | S324 | S322-S324 PolarHBondContact O-N 3.14Š| ||
| 323 | S | 43.1 | Very low | 58.6 | Low | 98 Ų | 98 | 100.8 Ų | 100.8 | 69% | 0.685 | 56% | 0.557 | S | S | * | * | trans | -68.1 | 109.4 | -168.4 | 78.6 | 0 | 0 | 0 | 0 | 103.7 | H321 F325 | H321-S323 PolarHBondContact O-N 3.38Å; S323-F325 PolarHBondContact O-N 2.64Å | ||
| 324 | S | 52.6 | Low | 61.7 | Low | 101 Ų | 101 | 96.1 Ų | 96.1 | 71% | 0.706 | 52% | 0.524 | S | S | * | . | trans | -35 | 118.6 | 170.4 | 167 | 0 | 0 | 0 | 0 | 107.9 | S322 H326 | S322-S324 PolarHBondContact O-N 3.14Å; S324-H326 PolarHBondContact O-N 3.13Å | ||
| 325 | F | 75.5 | Confident | 64.8 | Low | 54 Ų | 54 | 91.3 Ų | 91.3 | 24% | 0.237 | 49% | 0.491 | C | S | . | . | trans | -62.1 | 87.3 | -175 | -168.3 | -87.9 | 0 | 0 | 0 | 108.9 | K285 E288 R289 I292 S323 I327 | K285-F325 HydrophobicContact CB-CE1 4.2Å; K285-F325 HydrophobicContact CB-CZ 4.23Å; K285-F325 WeakPolarHBondContact O-CE1 3.42Å; K285-F325 WeakPolarHBondContact O-CZ 3.47Å; E288-F325 HydrophobicContact CB-CZ 4.25Å; R289-F325 HydrophobicContact CB-CD1 3.85Å; R289-F325 HydrophobicContact CB-CE1 3.37Å; R289-F325 HydrophobicContact CB-CZ 3.79Å; R289-F325 HydrophobicContact CG-CD1 3.66Å; R289-F325 HydrophobicContact CG-CE1 3.76Å; R289-F325 HydrophobicContact CG-CG 4.26Å; R289-F325 HydrophobicContact CG-CZ 4.43Å; I292-F325 HydrophobicContact CD1-CD2 4.02Å; I292-F325 HydrophobicContact CD1-CE2 3.5Å; I292-F325 VanDerWaalsContact CD1-CE2 3.5Å; I292-F325 HydrophobicContact CD1-CZ 4.42Å; S323-F325 PolarHBondContact O-N 2.64Å; F325-I327 HydrophobicContact CD1-CD1 3.64Å; F325-I327 HydrophobicContact CD1-CG1 4.47Å; F325-I327 HydrophobicContact CE1-CD1 3.36Å; F325-I327 PolarHBondContact O-N 2.75Å | ||
| 326 | H | 86.2 | Confident | 67.8 | Low | 133 Ų | 133 | 84.8 Ų | 84.8 | 62% | 0.616 | 45% | 0.454 | S | S | * | . | trans | -87.1 | 117 | -168.2 | -179.3 | 67.3 | 0 | 0 | 0 | 110 | S324 | S324-H326 PolarHBondContact O-N 3.13Š| ||
| 327 | I | 90.9 | Very high | 70.9 | Confident | 15 Ų | 15 | 77.5 Ų | 77.5 | 8% | 0.077 | 42% | 0.422 | C | S | . | . | trans | -89.2 | 118 | 173.4 | -49.8 | -62.9 | 0 | 0 | 0 | 109 | V282 K285 L286 F325 Y329 | V282-I327 HydrophobicContact CB-CG2 4.37Å; V282-I327 HydrophobicContact CG1-CG2 3.79Å; V282-I327 HydrophobicContact CG2-CG2 4.17Å; K285-I327 HydrophobicContact CB-CD1 3.91Å; L286-I327 HydrophobicContact CD2-CD1 3.7Å; L286-I327 HydrophobicContact CD2-CG1 3.85Å; L286-I327 HydrophobicContact CD2-CG2 4.39Å; L286-I327 HydrophobicContact CG-CD1 4Å; L286-I327 HydrophobicContact CG-CG1 4.43Å; L286-I327 HydrophobicContact CG-CG2 4.22Å; F325-I327 HydrophobicContact CD1-CD1 3.64Å; F325-I327 HydrophobicContact CD1-CG1 4.47Å; F325-I327 HydrophobicContact CE1-CD1 3.36Å; F325-I327 PolarHBondContact O-N 2.75Å; I327-Y329 HydrophobicContact CB-CD2 3.97Å; I327-Y329 HydrophobicContact CB-CE2 3.53Å; I327-Y329 HydrophobicContact CG1-CE2 4.27Å; I327-Y329 HydrophobicContact CG2-CD1 4.11Å; I327-Y329 HydrophobicContact CG2-CD2 3.82Å; I327-Y329 HydrophobicContact CG2-CE1 3.71Å; I327-Y329 HydrophobicContact CG2-CE2 3.43Å; I327-Y329 VanDerWaalsContact CG2-CE2 3.43Å; I327-Y329 HydrophobicContact CG2-CG 4.15Å; I327-Y329 PolarHBondContact O-N 2.95Å | ||
| 328 | P | 91.8 | Very high | 73.9 | Confident | 9 Ų | 9 | 73 Ų | 73 | 6% | 0.058 | 39% | 0.39 | C | S | . | . | trans | -82.4 | 58.4 | -172.3 | 35.1 | -37.4 | 0 | 0 | 0 | 112.7 | T281 V282 K285 R330 N331 | T281-P328 HydrophobicContact CG2-CG 4.22Å; V282-P328 HydrophobicContact CG2-CG 4.26Å; K285-P328 HydrophobicContact CD-CG 4.35Å; P328-R330 PolarHBondContact O-N 3.09Å; P328-N331 PolarHBondContact O-N 3.26Å | ||
| 329 | Y | 93.7 | Very high | 76.9 | Confident | 30 Ų | 30 | 72.4 Ų | 72.4 | 12% | 0.118 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -58.6 | -30.2 | 179.1 | -65.3 | -70.7 | 0 | 0 | 0 | 113.3 | V282 L286 I327 N331 T335 W336 R339 L342 | V282-Y329 HydrophobicContact CG1-CD1 3.85Å; V282-Y329 HydrophobicContact CG1-CE1 3.52Å; V282-Y329 HydrophobicContact CG2-CD1 4.39Å; L286-Y329 HydrophobicContact CD1-CE1 4.37Å; L286-Y329 WeakPolarHBondContact CD2-OH 3.45Å; I327-Y329 HydrophobicContact CB-CD2 3.97Å; I327-Y329 HydrophobicContact CB-CE2 3.53Å; I327-Y329 HydrophobicContact CG1-CE2 4.27Å; I327-Y329 HydrophobicContact CG2-CD1 4.11Å; I327-Y329 HydrophobicContact CG2-CD2 3.82Å; I327-Y329 HydrophobicContact CG2-CE1 3.71Å; I327-Y329 HydrophobicContact CG2-CE2 3.43Å; I327-Y329 VanDerWaalsContact CG2-CE2 3.43Å; I327-Y329 HydrophobicContact CG2-CG 4.15Å; I327-Y329 PolarHBondContact O-N 2.95Å; Y329-N331 VanDerWaalsContact C-N 3.29Å; Y329-N331 PolarHBondContact O-N 3.07Å; Y329-T335 CarbonylContact O-C 3.46Å; Y329-T335 VanDerWaalsContact O-C 3.23Å; Y329-T335 WeakPolarHBondContact O-CB 3.39Å; Y329-T335 PolarHBondContact O-OG1 2.84Å; Y329-W336 WeakPolarHBondContact O-CA 3.24Å; Y329-W336 PolarHBondContact O-N 3.42Å; Y329-R339 HydrophobicContact CD1-CB 4.1Å; Y329-R339 HydrophobicContact CD1-CG 4.28Å; Y329-R339 HydrophobicContact CD2-CB 4.47Å; Y329-R339 HydrophobicContact CD2-CG 3.86Å; Y329-R339 HydrophobicContact CE1-CG 4.45Å; Y329-R339 HydrophobicContact CE2-CG 4.01Å; Y329-R339 HydrophobicContact CG-CB 4.09Å; Y329-R339 HydrophobicContact CG-CG 3.99Å; Y329-L342 HydrophobicContact CE1-CB 4.36Å; Y329-L342 PolarHBondContact OH-O 2.85Å |
| 330 | R | 91.6 | Very high | 79.6 | Confident | 165 Ų | 165 | 69.3 Ų | 69.3 | 62% | 0.623 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -78.4 | -6.6 | -175 | -70.3 | -168.5 | 173.6 | -174.6 | -0.3 | 114.8 | E174 P328 S332 W336 | E174-R330 IonicContact OE2-CZ 3.53Å; E174-R330 IonicContact OE2-NH2 3.51Å; E174-R330 PolarHBondContact OE2-NH2 2.88Å; P328-R330 PolarHBondContact O-N 3.09Å; R330-S332 PolarHBondContact O-N 2.98Å; R330-W336 HydrophobicContact CG-CD2 4.24Å; R330-W336 HydrophobicContact CG-CG 4.24Å |
| 331 | N | 90.8 | Very high | 82.5 | Confident | 99 Ų | 99 | 61.3 Ų | 61.3 | 53% | 0.529 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -70.4 | -14.5 | -177.7 | -76.6 | 16.3 | 0 | 0 | 0 | 113.5 | C278 P328 Y329 | C278-N331 WeakPolarHBondContact SG-CB 3.47Å; P328-N331 PolarHBondContact O-N 3.26Å; Y329-N331 VanDerWaalsContact C-N 3.29Å; Y329-N331 PolarHBondContact O-N 3.07Å |
| 332 | S | 94.1 | Very high | 85.2 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -143.3 | 156.1 | 167.4 | 76.1 | 0 | 0 | 0 | 0 | 111.1 | E155 R330 L334 T335 W336 | E155-S332 VanDerWaalsContact OE2-CA 3.32Å; E155-S332 WeakPolarHBondContact OE2-CA 3.49Å; E155-S332 WeakPolarHBondContact OE2-CB 3.4Å; R330-S332 PolarHBondContact O-N 2.98Å; S332-L334 VanDerWaalsContact C-N 3.29Å; S332-L334 PolarHBondContact O-N 3.24Å; S332-T335 PolarHBondContact N-OG1 2.98Å; S332-T335 PolarHBondContact O-OG1 3.23Å; S332-T335 WeakPolarHBondContact OG-CB 3.27Å; S332-T335 WeakPolarHBondContact OG-CG2 3.41Å; S332-T335 PolarHBondContact OG-N 3.34Å; S332-T335 PolarHBondContact OG-OG1 3.28Å; S332-W336 WeakPolarHBondContact O-CB 3.45Å; S332-W336 PolarHBondContact O-N 2.92Å; S332-W336 VanDerWaalsContact O-N 3.08Å |
| 333 | K | 94.4 | Very high | 87.4 | Confident | 74 Ų | 74 | 49 Ų | 49 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.8 | -38.4 | 174.9 | -60.9 | -57.5 | 178.3 | -173.3 | 0 | 111.7 | E155 I157 I172 W336 L337 | E155-K333 PolarHBondContact OE2-N 3.23Å; I157-K333 HydrophobicContact CD1-CB 4.23Å; I157-K333 HydrophobicContact CD1-CD 4.41Å; I157-K333 HydrophobicContact CD1-CG 4.36Å; I157-K333 HydrophobicContact CG1-CB 4.38Å; I157-K333 HydrophobicContact CG1-CG 4.47Å; I172-K333 HydrophobicContact CD1-CB 3.93Å; I172-K333 HydrophobicContact CD1-CD 3.7Å; I172-K333 HydrophobicContact CD1-CG 4.36Å; I172-K333 HydrophobicContact CG1-CD 4.38Å; K333-W336 HydrophobicContact CD-CE3 4.5Å; K333-W336 PolarHBondContact O-N 3.4Å; K333-L337 WeakPolarHBondContact O-CG 3.45Å; K333-L337 PolarHBondContact O-N 2.91Å; K333-L337 VanDerWaalsContact O-N 3.07Å |
| 334 | L | 95.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.1 | -57.3 | 176.7 | 177 | 66 | 0 | 0 | 0 | 111.3 | I152 H222 I224 L251 L279 S332 W336 L337 L338 | I152-L334 HydrophobicContact CD1-CB 4.02Å; I152-L334 HydrophobicContact CD1-CD1 4.05Å; H222-L334 HydrophobicContact CB-CD1 4.31Å; I224-L334 HydrophobicContact CD1-CD1 4.15Å; L251-L334 HydrophobicContact CD2-CD1 3.95Å; L251-L334 HydrophobicContact CD2-CD2 3.81Å; L251-L334 HydrophobicContact CD2-CG 4.48Å; L279-L334 HydrophobicContact CD2-CD2 4.32Å; S332-L334 VanDerWaalsContact C-N 3.29Å; S332-L334 PolarHBondContact O-N 3.24Å; L334-W336 PolarHBondContact O-N 3.39Å; L334-L337 PolarHBondContact O-N 2.76Å; L334-L337 VanDerWaalsContact O-N 3.17Å; L334-L338 HydrophobicContact CD1-CD1 3.76Å; L334-L338 HydrophobicContact CD1-CG 4.09Å; L334-L338 HydrophobicContact CG-CD1 3.95Å; L334-L338 HydrophobicContact CG-CG 4.45Å; L334-L338 WeakPolarHBondContact O-CG 3.36Å; L334-L338 PolarHBondContact O-N 3.04Å |
| 335 | T | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.8 | -26.4 | -178.7 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | C278 L279 V282 Y329 S332 R339 | C278-T335 HydrophobicContact CB-CG2 4.2Å; C278-T335 PolarHBondContact SG-OG1 3.46Å; L279-T335 VanDerWaalsContact CA-CG2 3.42Å; L279-T335 HydrophobicContact CB-CG2 3.82Å; L279-T335 HydrophobicContact CD1-CG2 3.78Å; L279-T335 HydrophobicContact CG-CG2 4.41Å; V282-T335 HydrophobicContact CG2-CG2 4.12Å; Y329-T335 CarbonylContact O-C 3.46Å; Y329-T335 VanDerWaalsContact O-C 3.23Å; Y329-T335 WeakPolarHBondContact O-CB 3.39Å; Y329-T335 PolarHBondContact O-OG1 2.84Å; S332-T335 PolarHBondContact N-OG1 2.98Å; S332-T335 PolarHBondContact O-OG1 3.23Å; S332-T335 WeakPolarHBondContact OG-CB 3.27Å; S332-T335 WeakPolarHBondContact OG-CG2 3.41Å; S332-T335 PolarHBondContact OG-N 3.34Å; S332-T335 PolarHBondContact OG-OG1 3.28Å; T335-R339 PolarHBondContact O-N 3.19Å |
| 336 | W | 95.4 | Very high | 92.5 | Very high | 32 Ų | 32 | 39 Ų | 39 | 12% | 0.121 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.1 | -44.2 | 176 | -166.7 | 10.6 | 0 | 0 | 0 | 111.2 | I172 P180 Y329 R330 S332 K333 L334 L338 R339 | I172-W336 HydrophobicContact CB-CD2 4.32Å; I172-W336 HydrophobicContact CB-CE3 3.74Å; I172-W336 HydrophobicContact CB-CH2 3.99Å; I172-W336 HydrophobicContact CB-CZ3 3.56Å; I172-W336 HydrophobicContact CD1-CB 4.38Å; I172-W336 HydrophobicContact CD1-CD2 4.27Å; I172-W336 HydrophobicContact CD1-CE3 3.74Å; I172-W336 HydrophobicContact CD1-CZ3 4.37Å; I172-W336 HydrophobicContact CG1-CE3 4.3Å; I172-W336 HydrophobicContact CG1-CZ3 4.48Å; I172-W336 HydrophobicContact CG2-CD2 3.77Å; I172-W336 HydrophobicContact CG2-CE3 3.73Å; I172-W336 HydrophobicContact CG2-CG 4.44Å; I172-W336 HydrophobicContact CG2-CH2 3.9Å; I172-W336 HydrophobicContact CG2-CZ2 3.96Å; I172-W336 HydrophobicContact CG2-CZ3 3.8Å; I172-W336 WeakPolarHBondContact O-CH2 3.46Å; P180-W336 HydrophobicContact CB-CG 4.49Å; P180-W336 WeakPolarHBondContact CG-O 3.49Å; Y329-W336 WeakPolarHBondContact O-CA 3.24Å; Y329-W336 PolarHBondContact O-N 3.42Å; R330-W336 HydrophobicContact CG-CD2 4.24Å; R330-W336 HydrophobicContact CG-CG 4.24Å; S332-W336 WeakPolarHBondContact O-CB 3.45Å; S332-W336 PolarHBondContact O-N 2.92Å; S332-W336 VanDerWaalsContact O-N 3.08Å; K333-W336 HydrophobicContact CD-CE3 4.5Å; K333-W336 PolarHBondContact O-N 3.4Å; L334-W336 PolarHBondContact O-N 3.39Å; W336-L338 VanDerWaalsContact C-N 3.3Å; W336-L338 PolarHBondContact O-N 2.79Å; W336-R339 VanDerWaalsContact O-CB 3.32Å; W336-R339 WeakPolarHBondContact O-CB 3.34Å; W336-R339 PolarHBondContact O-N 2.87Å |
| 337 | L | 95.3 | Very high | 93 | Very high | 32 Ų | 32 | 35.6 Ų | 35.6 | 17% | 0.168 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.2 | -30.5 | 173.5 | -68.3 | 176.2 | 0 | 0 | 0 | 112.7 | I152 I172 V182 I224 K333 L334 R339 | I152-L337 HydrophobicContact CD1-CD1 4.02Å; I172-L337 HydrophobicContact CD1-CD1 4.15Å; I172-L337 HydrophobicContact CD1-CD2 3.87Å; I172-L337 HydrophobicContact CD1-CG 3.67Å; I172-L337 HydrophobicContact CG1-CD2 4.07Å; I172-L337 HydrophobicContact CG1-CG 4.35Å; I172-L337 HydrophobicContact CG2-CD2 4.13Å; V182-L337 HydrophobicContact CG2-CD1 4.02Å; V182-L337 HydrophobicContact CG2-CD2 3.84Å; I224-L337 HydrophobicContact CD1-CB 4.23Å; I224-L337 HydrophobicContact CD1-CD1 3.95Å; K333-L337 WeakPolarHBondContact O-CG 3.45Å; K333-L337 PolarHBondContact O-N 2.91Å; K333-L337 VanDerWaalsContact O-N 3.07Å; L334-L337 PolarHBondContact O-N 2.76Å; L334-L337 VanDerWaalsContact O-N 3.17Å; L337-R339 VanDerWaalsContact C-N 3.29Å; L337-R339 PolarHBondContact O-N 3.1Å |
| 338 | L | 95 | Very high | 93.3 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 5.3 | 177.6 | -62.9 | -174.5 | 0 | 0 | 0 | 114.3 | I249 L279 L334 W336 D340 S341 L342 | I249-L338 HydrophobicContact CD1-CD2 3.3Å; I249-L338 HydrophobicContact CG1-CD2 4.13Å; L279-L338 HydrophobicContact CD1-CD1 3.93Å; L334-L338 HydrophobicContact CD1-CD1 3.76Å; L334-L338 HydrophobicContact CD1-CG 4.09Å; L334-L338 HydrophobicContact CG-CD1 3.95Å; L334-L338 HydrophobicContact CG-CG 4.45Å; L334-L338 WeakPolarHBondContact O-CG 3.36Å; L334-L338 PolarHBondContact O-N 3.04Å; W336-L338 VanDerWaalsContact C-N 3.3Å; W336-L338 PolarHBondContact O-N 2.79Å; L338-D340 VanDerWaalsContact C-N 3.28Å; L338-D340 PolarHBondContact O-N 3.34Å; L338-S341 CarbonylContact O-C 3.6Å; L338-S341 WeakPolarHBondContact O-CA 3.44Å; L338-S341 WeakPolarHBondContact O-CB 3.48Å; L338-S341 PolarHBondContact O-N 3.42Å; L338-L342 HydrophobicContact CB-CD1 4.23Å; L338-L342 HydrophobicContact CB-CG 4.5Å; L338-L342 PolarHBondContact O-N 2.82Å |
| 339 | R | 93.3 | Very high | 93.6 | Very high | 92 Ų | 92 | 35.6 Ų | 35.6 | 35% | 0.347 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -43.9 | -180 | 178.1 | -175.9 | 173.5 | -168.7 | -2.7 | 112.6 | E174 P180 Y329 T335 W336 L337 S341 L342 | E174-R339 IonicContact OE1-CZ 3.7Å; E174-R339 IonicContact OE1-NH1 3.32Å; E174-R339 PolarHBondContact OE1-NH1 3.23Å; E174-R339 IonicContact OE2-NH1 3.26Å; P180-R339 HydrophobicContact CG-CB 4.32Å; Y329-R339 HydrophobicContact CD1-CB 4.1Å; Y329-R339 HydrophobicContact CD1-CG 4.28Å; Y329-R339 HydrophobicContact CD2-CB 4.47Å; Y329-R339 HydrophobicContact CD2-CG 3.86Å; Y329-R339 HydrophobicContact CE1-CG 4.45Å; Y329-R339 HydrophobicContact CE2-CG 4.01Å; Y329-R339 HydrophobicContact CG-CB 4.09Å; Y329-R339 HydrophobicContact CG-CG 3.99Å; T335-R339 PolarHBondContact O-N 3.19Å; W336-R339 VanDerWaalsContact O-CB 3.32Å; W336-R339 WeakPolarHBondContact O-CB 3.34Å; W336-R339 PolarHBondContact O-N 2.87Å; L337-R339 VanDerWaalsContact C-N 3.29Å; L337-R339 PolarHBondContact O-N 3.1Å; R339-S341 VanDerWaalsContact C-N 3.32Å; R339-L342 CarbonylContact O-C 3.6Å |
| 340 | D | 90.8 | Very high | 93.8 | Very high | 47 Ų | 47 | 34.2 Ų | 34.2 | 25% | 0.251 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -27.5 | -179.8 | -77.4 | 10.2 | 0 | 0 | 0 | 112 | L338 G344 N345 | L338-D340 VanDerWaalsContact C-N 3.28Å; L338-D340 PolarHBondContact O-N 3.34Å; D340-G344 CarbonylContact O-C 3.23Å; D340-G344 VanDerWaalsContact O-C 3.23Å; D340-G344 VanDerWaalsContact O-CA 3.3Å; D340-G344 WeakPolarHBondContact O-CA 3.39Å; D340-N345 PolarHBondContact O-N 3.44Å |
| 341 | S | 93.2 | Very high | 94.1 | Very high | 10 Ų | 10 | 26.4 Ų | 26.4 | 7% | 0.07 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -29.8 | 175.7 | -62.1 | 0 | 0 | 0 | 0 | 112.8 | S97 L338 R339 T348 N379 | S97-S341 VanDerWaalsContact CB-OG 3.29Å; S97-S341 WeakPolarHBondContact CB-OG 3.48Å; S97-S341 WeakPolarHBondContact OG-CB 3.41Å; S97-S341 PolarHBondContact OG-OG 3.01Å; L338-S341 CarbonylContact O-C 3.6Å; L338-S341 WeakPolarHBondContact O-CA 3.44Å; L338-S341 WeakPolarHBondContact O-CB 3.48Å; L338-S341 PolarHBondContact O-N 3.42Å; R339-S341 VanDerWaalsContact C-N 3.32Å; S341-T348 VanDerWaalsContact O-CB 3.31Å; S341-T348 WeakPolarHBondContact O-CB 3.3Å; S341-T348 WeakPolarHBondContact O-CG2 3.23Å; S341-T348 PolarHBondContact O-OG1 2.73Å; S341-N379 PolarHBondContact O-ND2 3.4Å |
| 342 | L | 91.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 101.7 | -175.9 | -60.4 | 175.3 | 0 | 0 | 0 | 109.6 | F99 L279 V282 I283 L286 Y329 L338 R339 I377 | F99-L342 HydrophobicContact CE1-CD2 4.14Å; F99-L342 HydrophobicContact CZ-CD2 4.32Å; L279-L342 HydrophobicContact CD1-CD1 3.56Å; V282-L342 HydrophobicContact CG1-CD1 4.36Å; I283-L342 HydrophobicContact CD1-CD2 4.47Å; I283-L342 HydrophobicContact CG1-CD1 4.4Å; L286-L342 HydrophobicContact CD1-CB 3.88Å; Y329-L342 HydrophobicContact CE1-CB 4.36Å; Y329-L342 PolarHBondContact OH-O 2.85Å; L338-L342 HydrophobicContact CB-CD1 4.23Å; L338-L342 HydrophobicContact CB-CG 4.5Å; L338-L342 PolarHBondContact O-N 2.82Å; R339-L342 CarbonylContact O-C 3.6Å; L342-I377 HydrophobicContact CD2-CD1 4.44Å |
| 343 | G | 86.2 | Confident | 94.5 | Very high | 30 Ų | 30 | 21.5 Ų | 21.5 | 31% | 0.309 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 5.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | N379 | G343-N379 VanDerWaalsContact CA-OD1 3.24Å; G343-N379 WeakPolarHBondContact CA-OD1 3.49Å; G343-N379 PolarHBondContact N-OD1 3.46Å |
| 344 | G | 90.5 | Very high | 94.5 | Very high | 17 Ų | 17 | 18 Ų | 18 | 18% | 0.175 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -116.6 | -151.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D340 A346 V380 | D340-G344 CarbonylContact O-C 3.23Å; D340-G344 VanDerWaalsContact O-C 3.23Å; D340-G344 VanDerWaalsContact O-CA 3.3Å; D340-G344 WeakPolarHBondContact O-CA 3.39Å; G344-A346 PolarHBondContact O-N 2.96Å; G344-V380 CarbonylContact O-C 3.56Å; G344-V380 PolarHBondContact O-N 2.75Å |
| 345 | N | 93.2 | Very high | 94.2 | Very high | 21 Ų | 21 | 18 Ų | 18 | 11% | 0.112 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -86.3 | 72.1 | -178.7 | 176.9 | 26.1 | 0 | 0 | 0 | 111.6 | N95 D340 K382 N384 | N95-N345 VanDerWaalsContact CB-O 3.23Å; N95-N345 WeakPolarHBondContact CB-O 3.22Å; N95-N345 PolarHBondContact ND2-ND2 3.46Å; N95-N345 PolarHBondContact ND2-O 2.98Å; D340-N345 PolarHBondContact O-N 3.44Å; N345-K382 HydrophobicContact CB-CG 4.41Å; N345-K382 VanDerWaalsContact CG-CG 3.43Å; N345-K382 WeakPolarHBondContact ND2-CE 3.45Å; N345-K382 WeakPolarHBondContact ND2-CG 3.18Å; N345-K382 VanDerWaalsContact OD1-CG 3.24Å; N345-K382 WeakPolarHBondContact OD1-CG 3.43Å; N345-K382 PolarHBondContact OD1-N 3.04Å; N345-K382 PolarHBondContact OD1-O 3.26Å; N345-N384 PolarHBondContact ND2-OD1 3.5Å |
| 346 | A | 94.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 18.7 Ų | 18.7 | 3% | 0.033 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -158.3 | 144 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N95 G344 T348 N379 | N95-A346 HydrophobicContact CB-CB 4.26Å; N95-A346 CarbonylContact O-C 3.56Å; N95-A346 VanDerWaalsContact O-CA 3.31Å; N95-A346 WeakPolarHBondContact O-CA 3.25Å; G344-A346 PolarHBondContact O-N 2.96Å; A346-T348 PolarHBondContact O-N 3.14Å; A346-N379 VanDerWaalsContact O-CB 3.28Å; A346-N379 WeakPolarHBondContact O-CB 3.47Å; A346-N379 PolarHBondContact O-ND2 3.37Å |
| 347 | H | 96.2 | Very high | 93.3 | Very high | 61 Ų | 61 | 17.4 Ų | 17.4 | 28% | 0.282 | 10% | 0.098 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 114.1 | 158.5 | -78.8 | -65.5 | 0 | 0 | 0 | 108.7 | N95 C96 S97 P381 | N95-H347 PolarHBondContact O-N 2.87Å; C96-H347 CarbonylContact C-O 3.5Å; C96-H347 VanDerWaalsContact CA-O 3.23Å; C96-H347 WeakPolarHBondContact CA-O 3.3Å; S97-H347 PolarHBondContact N-O 2.95Å; H347-P381 WeakPolarHBondContact CE1-CG 3.41Å |
| 348 | T | 97.5 | Very high | 92.7 | Very high | 5 Ų | 5 | 19.1 Ų | 19.1 | 3% | 0.031 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 132.4 | -172.2 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | L4 Y5 S97 F99 S341 A346 N379 | L4-T348 VanDerWaalsContact CD1-CB 3.43Å; L4-T348 HydrophobicContact CD1-CG2 3.53Å; L4-T348 HydrophobicContact CD2-CG2 4.44Å; L4-T348 HydrophobicContact CG-CG2 4.08Å; Y5-T348 PolarHBondContact N-O 3.33Å; Y5-T348 VanDerWaalsContact N-O 3.09Å; S97-T348 CarbonylContact O-C 3.54Å; S97-T348 VanDerWaalsContact O-CA 3.27Å; S97-T348 WeakPolarHBondContact O-CA 3.46Å; F99-T348 HydrophobicContact CD1-CG2 3.89Å; F99-T348 HydrophobicContact CE1-CG2 3.5Å; S341-T348 VanDerWaalsContact O-CB 3.31Å; S341-T348 WeakPolarHBondContact O-CB 3.3Å; S341-T348 WeakPolarHBondContact O-CG2 3.23Å; S341-T348 PolarHBondContact O-OG1 2.73Å; A346-T348 PolarHBondContact O-N 3.14Å; T348-N379 WeakPolarHBondContact CB-ND2 3.47Å; T348-N379 PolarHBondContact OG1-ND2 2.85Å |
| 349 | T | 97.8 | Very high | 92.1 | Very high | 20 Ų | 20 | 25.8 Ų | 25.8 | 12% | 0.123 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 127.6 | 175.2 | -57.1 | 0 | 0 | 0 | 0 | 110.3 | Y5 I82 S97 L98 F99 | Y5-T349 HydrophobicContact CD1-CG2 3.78Å; Y5-T349 CarbonylContact O-C 3.49Å; Y5-T349 WeakPolarHBondContact O-CA 3.23Å; Y5-T349 WeakPolarHBondContact O-CG2 3.41Å; I82-T349 HydrophobicContact CD1-CG2 4.36Å; I82-T349 HydrophobicContact CG2-CG2 3.82Å; S97-T349 PolarHBondContact O-N 3.44Å; L98-T349 WeakPolarHBondContact CA-O 3.37Å; L98-T349 HydrophobicContact CD2-CG2 4.4Å; F99-T349 PolarHBondContact N-O 3.35Å |
| 350 | M | 97.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 131.4 | 170.8 | 178.3 | 179.6 | 171 | 0 | 0 | 109.8 | L4 Y5 V6 V7 F99 Y101 A352 Y370 A371 A374 | L4-M350 HydrophobicContact CD2-CB 4.18Å; Y5-M350 PolarHBondContact O-N 3.18Å; V6-M350 HydrophobicContact CG1-CB 4.39Å; V6-M350 HydrophobicContact CG1-SD 4.39Å; V6-M350 HydrophobicContact CG2-CB 4.26Å; V7-M350 PolarHBondContact N-O 3.29Å; F99-M350 HydrophobicContact CD2-CB 4.47Å; F99-M350 HydrophobicContact CD2-CG 4.15Å; F99-M350 HydrophobicContact CE1-CB 4.11Å; F99-M350 HydrophobicContact CE2-CB 3.78Å; F99-M350 HydrophobicContact CE2-CG 3.46Å; F99-M350 VanDerWaalsContact CE2-CG 3.46Å; F99-M350 HydrophobicContact CE2-SD 3.96Å; F99-M350 HydrophobicContact CZ-CB 3.58Å; F99-M350 HydrophobicContact CZ-CG 3.78Å; F99-M350 HydrophobicContact CZ-SD 4.22Å; Y101-M350 HydrophobicContact CD1-CE 3.71Å; Y101-M350 HydrophobicContact CG-CE 3.97Å; M350-A352 HydrophobicContact CE-CB 4.08Å; M350-Y370 HydrophobicContact CE-CD1 3.42Å; M350-Y370 VanDerWaalsContact CE-CD1 3.42Å; M350-Y370 HydrophobicContact CE-CE1 3.79Å; M350-Y370 HydrophobicContact SD-CD1 3.91Å; M350-Y370 HydrophobicContact SD-CE1 3.97Å; M350-A371 HydrophobicContact CE-CB 3.93Å; M350-A371 HydrophobicContact SD-CB 4.21Å; M350-A374 HydrophobicContact SD-CB 3.63Å |
| 351 | I | 97.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 102 | 172.6 | -53.1 | 167.1 | 0 | 0 | 0 | 108.4 | V7 R9 I82 F99 A100 Y101 T111 L121 T353 | V7-I351 HydrophobicContact CG2-CB 4.07Å; V7-I351 HydrophobicContact CG2-CG1 3.82Å; V7-I351 HydrophobicContact CG2-CG2 4.03Å; R9-I351 HydrophobicContact CB-CG2 4.31Å; I82-I351 HydrophobicContact CD1-CG1 4.3Å; F99-I351 PolarHBondContact O-N 3.35Å; A100-I351 WeakPolarHBondContact CA-O 3.49Å; Y101-I351 PolarHBondContact N-O 2.97Å; T111-I351 HydrophobicContact CG2-CD1 4.13Å; T111-I351 HydrophobicContact CG2-CG2 4.36Å; L121-I351 HydrophobicContact CD1-CD1 3.66Å; I351-T353 HydrophobicContact CG2-CG2 4.23Å; I351-T353 PolarHBondContact O-N 2.96Å |
| 352 | A | 97.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 103.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V7 A8 R9 Y101 M350 T367 A371 | V7-A352 WeakPolarHBondContact O-CB 3.42Å; V7-A352 PolarHBondContact O-N 2.93Å; A8-A352 CarbonylContact C-O 3.51Å; A8-A352 VanDerWaalsContact CA-O 3.23Å; A8-A352 WeakPolarHBondContact CA-O 3.37Å; A8-A352 HydrophobicContact CB-CB 4.45Å; R9-A352 PolarHBondContact N-O 3.48Å; Y101-A352 CarbonylContact O-C 3.56Å; Y101-A352 WeakPolarHBondContact O-CA 3.45Å; M350-A352 HydrophobicContact CE-CB 4.08Å; A352-T367 HydrophobicContact CB-CG2 4.06Å; A352-A371 HydrophobicContact CB-CB 4.12Å |
| 353 | T | 95.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 123.7 | 179 | 59.6 | 0 | 0 | 0 | 0 | 110.6 | R9 Y101 T106 K108 I351 | R9-T353 HydrophobicContact CB-CG2 4.42Å; R9-T353 WeakPolarHBondContact O-CA 3.24Å; Y101-T353 PolarHBondContact O-N 3.24Å; Y101-T353 PolarHBondContact O-OG1 3.31Å; T106-T353 WeakPolarHBondContact CB-O 3.47Å; T106-T353 WeakPolarHBondContact OG1-CB 3.37Å; T106-T353 PolarHBondContact OG1-O 3.43Å; T106-T353 PolarHBondContact OG1-OG1 3.42Å; K108-T353 HydrophobicContact CG-CG2 4.17Å; K108-T353 WeakPolarHBondContact CG-OG1 3.48Å; I351-T353 HydrophobicContact CG2-CG2 4.23Å; I351-T353 PolarHBondContact O-N 2.96Å |
| 354 | I | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 159.3 | -173.1 | 58.3 | 169.3 | 0 | 0 | 0 | 112.1 | R9 L10 R11 M26 I33 T364 T367 L368 | R9-I354 PolarHBondContact O-N 3.3Å; L10-I354 HydrophobicContact CB-CD1 4.47Å; L10-I354 HydrophobicContact CB-CG1 4.22Å; L10-I354 HydrophobicContact CD1-CD1 4.14Å; L10-I354 HydrophobicContact CD1-CG1 3.89Å; R11-I354 PolarHBondContact N-O 3.27Å; R11-I354 VanDerWaalsContact N-O 3.15Å; M26-I354 HydrophobicContact SD-CD1 3.94Å; I33-I354 HydrophobicContact CD1-CD1 3.55Å; I354-T364 HydrophobicContact CB-CG2 3.96Å; I354-T364 HydrophobicContact CD1-CG2 4.36Å; I354-T364 HydrophobicContact CG2-CG2 3.97Å; I354-T367 HydrophobicContact CG2-CG2 3.81Å; I354-L368 HydrophobicContact CG2-CD2 4.37Å |
| 355 | S | 89 | Confident | 91.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -103.2 | 143.5 | 178.7 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | R11 Y25 S357 | R11-S355 PolarHBondContact NH2-OG 3.32Å; R11-S355 VanDerWaalsContact NH2-OG 3.12Å; Y25-S355 PolarHBondContact OH-O 3.4Å; S355-S357 VanDerWaalsContact C-N 3.25Å; S355-S357 PolarHBondContact O-N 2.9Å; S355-S357 PolarHBondContact OG-N 3.45Å | ||
| 356 | P | 85.3 | Confident | 91.4 | Very high | 14 Ų | 14 | 29.9 Ų | 29.9 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -78.5 | -2.3 | 171.9 | 32.1 | -35 | 0 | 0 | 0 | 113.9 | L10 R11 S13 Y25 M26 | L10-P356 HydrophobicContact CD1-CB 3.87Å; L10-P356 HydrophobicContact CD1-CG 4.3Å; L10-P356 HydrophobicContact CD2-CB 4.42Å; L10-P356 HydrophobicContact CG-CB 4.4Å; R11-P356 VanDerWaalsContact O-CD 3.32Å; R11-P356 WeakPolarHBondContact O-CD 3.39Å; R11-P356 WeakPolarHBondContact O-CG 3.1Å; S13-P356 WeakPolarHBondContact OG-CB 3.22Å; S13-P356 WeakPolarHBondContact OG-CG 3.46Å; Y25-P356 WeakPolarHBondContact CE1-O 3.14Å; Y25-P356 PolarHBondContact OH-O 2.95Å; M26-P356 HydrophobicContact CE-CB 4.29Å |
| 357 | S | 85.2 | Confident | 91.4 | Very high | 5 Ų | 5 | 29.7 Ų | 29.7 | 4% | 0.035 | 14% | 0.14 | C | C | . | . | trans | -88.5 | 132 | -179.4 | 172.2 | 0 | 0 | 0 | 0 | 113.4 | E17 Y25 S355 K359 Y360 | E17-S357 WeakPolarHBondContact OE1-CB 3.44Å; Y25-S357 VanDerWaalsContact OH-C 3.23Å; Y25-S357 PolarHBondContact OH-N 3.25Å; Y25-S357 PolarHBondContact OH-O 3Å; Y25-S357 VanDerWaalsContact OH-O 3.12Å; S355-S357 VanDerWaalsContact C-N 3.25Å; S355-S357 PolarHBondContact O-N 2.9Å; S355-S357 PolarHBondContact OG-N 3.45Å; S357-K359 PolarHBondContact O-N 2.76Å; S357-K359 WeakPolarHBondContact OG-CB 3.23Å; S357-K359 PolarHBondContact OG-N 3.04Å; S357-Y360 PolarHBondContact O-N 3.29Å | ||
| 358 | Y | 83 | Confident | 91.3 | Very high | 69 Ų | 69 | 26.8 Ų | 26.8 | 27% | 0.271 | 13% | 0.126 | S | C | . | . | G | 310 helix | trans | -60 | -26.8 | 176.3 | -177.7 | -101.9 | 0 | 0 | 0 | 112.6 | Y25 I41 Y360 Y361 | Y25-Y358 AromaticContact CD1-CD2 3.83Å; Y25-Y358 HydrophobicContact CD1-CD2 3.83Å; Y25-Y358 HydrophobicContact CD1-CG 4.26Å; Y25-Y358 HydrophobicContact CD2-CD2 4.26Å; Y25-Y358 VanDerWaalsContact CE1-CA 3.43Å; Y25-Y358 AromaticContact CG-CD2 3.67Å; Y25-Y358 HydrophobicContact CG-CD2 3.67Å; I41-Y358 HydrophobicContact CD1-CD1 4.05Å; I41-Y358 HydrophobicContact CD1-CE1 3.51Å; Y358-Y360 PolarHBondContact O-N 3.48Å; Y358-Y361 HydrophobicContact CD2-CD2 4.42Å; Y358-Y361 HydrophobicContact CD2-CG 4.49Å; Y358-Y361 HydrophobicContact CE2-CD2 4.24Å; Y358-Y361 HydrophobicContact CE2-CG 4.2Å; Y358-Y361 VanDerWaalsContact O-CB 3.24Å; Y358-Y361 WeakPolarHBondContact O-CB 3.32Å; Y358-Y361 PolarHBondContact O-N 3.36Å |
| 359 | K | 82.8 | Confident | 91.2 | Very high | 145 Ų | 145 | 30.9 Ų | 30.9 | 63% | 0.63 | 14% | 0.141 | S | C | * | . | G | 310 helix | trans | -52.4 | -30.9 | 174.8 | -175.4 | 177.2 | 179.2 | 179.4 | 0 | 112.2 | S357 | S357-K359 PolarHBondContact O-N 2.76Å; S357-K359 WeakPolarHBondContact OG-CB 3.23Å; S357-K359 PolarHBondContact OG-N 3.04Å |
| 360 | Y | 85.6 | Confident | 91 | Very high | 82 Ų | 82 | 30.4 Ų | 30.4 | 32% | 0.322 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -109.2 | 25.2 | -179.1 | -48.1 | -74.3 | 0 | 0 | 0 | 113.3 | M103 S357 Y358 N362 E363 T364 | M103-Y360 VanDerWaalsContact CE-CB 3.5Å; M103-Y360 HydrophobicContact CE-CG 4.21Å; M103-Y360 WeakPolarHBondContact SD-CB 3.46Å; M103-Y360 HydrophobicContact SD-CD1 3.57Å; M103-Y360 VanDerWaalsContact SD-CD1 3.57Å; M103-Y360 HydrophobicContact SD-CD2 4.31Å; M103-Y360 HydrophobicContact SD-CE1 4.35Å; M103-Y360 HydrophobicContact SD-CG 3.53Å; M103-Y360 VanDerWaalsContact SD-CG 3.53Å; S357-Y360 PolarHBondContact O-N 3.29Å; Y358-Y360 PolarHBondContact O-N 3.48Å; Y360-N362 VanDerWaalsContact C-N 3.33Å; Y360-N362 PolarHBondContact O-N 2.79Å; Y360-E363 PolarHBondContact O-N 2.97Å; Y360-T364 WeakPolarHBondContact O-CB 3.49Å; Y360-T364 PolarHBondContact O-N 3.32Å; Y360-T364 PolarHBondContact O-OG1 3.29Å |
| 361 | Y | 87.3 | Confident | 90.9 | Very high | 14 Ų | 14 | 30.4 Ų | 30.4 | 6% | 0.055 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -51.4 | -48.8 | 179.1 | 171.9 | -94.4 | 0 | 0 | 0 | 112.6 | Y25 L35 Y358 E363 T364 L365 | Y25-Y361 AromaticContact CD2-CD2 3.62Å; Y25-Y361 HydrophobicContact CD2-CD2 3.62Å; Y25-Y361 HydrophobicContact CD2-CE2 4.25Å; Y25-Y361 HydrophobicContact CE2-CD2 4.04Å; Y25-Y361 HydrophobicContact CG-CD2 4.48Å; L35-Y361 HydrophobicContact CB-CE2 4.09Å; L35-Y361 HydrophobicContact CD1-CE2 4.37Å; Y358-Y361 HydrophobicContact CD2-CD2 4.42Å; Y358-Y361 HydrophobicContact CD2-CG 4.49Å; Y358-Y361 HydrophobicContact CE2-CD2 4.24Å; Y358-Y361 HydrophobicContact CE2-CG 4.2Å; Y358-Y361 VanDerWaalsContact O-CB 3.24Å; Y358-Y361 WeakPolarHBondContact O-CB 3.32Å; Y358-Y361 PolarHBondContact O-N 3.36Å; Y361-E363 PolarHBondContact O-N 2.9Å; Y361-T364 PolarHBondContact O-N 2.76Å; Y361-L365 HydrophobicContact CE1-CD2 4.09Å; Y361-L365 VanDerWaalsContact O-CB 3.28Å; Y361-L365 WeakPolarHBondContact O-CB 3.36Å; Y361-L365 PolarHBondContact O-N 3.01Å |
| 362 | N | 86.7 | Confident | 90.7 | Very high | 102 Ų | 102 | 33.7 Ų | 33.7 | 55% | 0.545 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -64.6 | -39.7 | -177.7 | -71.5 | -38.9 | 0 | 0 | 0 | 112.4 | Y360 L365 N366 | Y360-N362 VanDerWaalsContact C-N 3.33Å; Y360-N362 PolarHBondContact O-N 2.79Å; N362-L365 PolarHBondContact O-N 3.33Å; N362-N366 PolarHBondContact O-N 3.49Å; N362-N366 PolarHBondContact O-ND2 3.46Å |
| 363 | E | 89.3 | Confident | 90.5 | Very high | 31 Ų | 31 | 37.7 Ų | 37.7 | 15% | 0.145 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.1 | -39 | 178.2 | -66.3 | -53.4 | 140.5 | 0 | 0 | 111.9 | M103 Y360 Y361 L365 N366 T367 | M103-E363 HydrophobicContact CB-CB 4.3Å; M103-E363 HydrophobicContact CE-CB 3.5Å; M103-E363 VanDerWaalsContact CE-CB 3.5Å; M103-E363 HydrophobicContact SD-CB 3.89Å; M103-E363 HydrophobicContact SD-CG 4.43Å; Y360-E363 PolarHBondContact O-N 2.97Å; Y361-E363 PolarHBondContact O-N 2.9Å; E363-L365 VanDerWaalsContact C-N 3.34Å; E363-N366 PolarHBondContact O-N 2.7Å; E363-T367 WeakPolarHBondContact O-CB 3.34Å; E363-T367 PolarHBondContact O-N 2.93Å; E363-T367 PolarHBondContact O-OG1 3.23Å |
| 364 | T | 91.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.3 | -45.1 | 172.4 | -59.1 | 0 | 0 | 0 | 0 | 110.5 | L35 I354 Y360 Y361 N366 T367 L368 | L35-T364 HydrophobicContact CD1-CG2 4.31Å; L35-T364 HydrophobicContact CD2-CG2 4.36Å; I354-T364 HydrophobicContact CB-CG2 3.96Å; I354-T364 HydrophobicContact CD1-CG2 4.36Å; I354-T364 HydrophobicContact CG2-CG2 3.97Å; Y360-T364 WeakPolarHBondContact O-CB 3.49Å; Y360-T364 PolarHBondContact O-N 3.32Å; Y360-T364 PolarHBondContact O-OG1 3.29Å; Y361-T364 PolarHBondContact O-N 2.76Å; T364-N366 PolarHBondContact O-N 2.97Å; T364-T367 WeakPolarHBondContact O-CB 3.43Å; T364-T367 PolarHBondContact O-N 2.94Å; T364-L368 HydrophobicContact CG2-CD1 4.22Å; T364-L368 WeakPolarHBondContact O-CG 3.28Å; T364-L368 PolarHBondContact O-N 3.1Å |
| 365 | L | 91.6 | Very high | 90.4 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 7% | 0.068 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.8 | -44.2 | 176.9 | 176.1 | 64.4 | 0 | 0 | 0 | 112.4 | L35 F56 Y361 N362 E363 L368 R369 | L35-L365 HydrophobicContact CD1-CB 4.09Å; L35-L365 HydrophobicContact CD1-CD1 4.05Å; F56-L365 HydrophobicContact CE2-CD1 3.88Å; F56-L365 HydrophobicContact CZ-CD1 3.51Å; Y361-L365 HydrophobicContact CE1-CD2 4.09Å; Y361-L365 VanDerWaalsContact O-CB 3.28Å; Y361-L365 WeakPolarHBondContact O-CB 3.36Å; Y361-L365 PolarHBondContact O-N 3.01Å; N362-L365 PolarHBondContact O-N 3.33Å; E363-L365 VanDerWaalsContact C-N 3.34Å; L365-L368 PolarHBondContact O-N 2.97Å; L365-R369 HydrophobicContact CD1-CG 4.46Å; L365-R369 WeakPolarHBondContact O-CB 3.39Å; L365-R369 VanDerWaalsContact O-CG 3.28Å; L365-R369 WeakPolarHBondContact O-CG 3.38Å; L365-R369 PolarHBondContact O-N 2.97Å |
| 366 | N | 92 | Very high | 90.5 | Very high | 62 Ų | 62 | 45.1 Ų | 45.1 | 33% | 0.332 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.8 | -43.3 | 176.7 | -70.1 | -25.4 | 0 | 0 | 0 | 111.3 | N362 E363 T364 L368 R369 Y370 | N362-N366 PolarHBondContact O-N 3.49Å; N362-N366 PolarHBondContact O-ND2 3.46Å; E363-N366 PolarHBondContact O-N 2.7Å; T364-N366 PolarHBondContact O-N 2.97Å; N366-L368 VanDerWaalsContact C-N 3.35Å; N366-L368 PolarHBondContact O-N 3.45Å; N366-R369 PolarHBondContact O-N 3.45Å; N366-Y370 WeakPolarHBondContact O-CB 3.15Å; N366-Y370 PolarHBondContact O-N 3.05Å |
| 367 | T | 95.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59 | -44.6 | 176.8 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | Y101 A352 I354 E363 T364 Y370 A371 | Y101-T367 HydrophobicContact CD1-CG2 4.05Å; Y101-T367 HydrophobicContact CE1-CG2 4.34Å; A352-T367 HydrophobicContact CB-CG2 4.06Å; I354-T367 HydrophobicContact CG2-CG2 3.81Å; E363-T367 WeakPolarHBondContact O-CB 3.34Å; E363-T367 PolarHBondContact O-N 2.93Å; E363-T367 PolarHBondContact O-OG1 3.23Å; T364-T367 WeakPolarHBondContact O-CB 3.43Å; T364-T367 PolarHBondContact O-N 2.94Å; T367-Y370 WeakPolarHBondContact O-CB 3.44Å; T367-Y370 PolarHBondContact O-N 3.44Å; T367-A371 WeakPolarHBondContact O-CB 3.47Å; T367-A371 PolarHBondContact O-N 2.93Å |
| 368 | L | 95.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.5 | -35.5 | 178.9 | -65.4 | 177.3 | 0 | 0 | 0 | 113.2 | I33 L35 F56 L58 I354 T364 L365 N366 Y370 A371 Q372 | I33-L368 HydrophobicContact CB-CD1 4.14Å; I33-L368 HydrophobicContact CD1-CD1 4.43Å; I33-L368 HydrophobicContact CD1-CD2 3.83Å; I33-L368 HydrophobicContact CG2-CD1 3.76Å; L35-L368 HydrophobicContact CD1-CD1 3.76Å; L35-L368 HydrophobicContact CD2-CD1 4.49Å; L35-L368 HydrophobicContact CG-CD1 4.04Å; F56-L368 HydrophobicContact CB-CB 4.28Å; F56-L368 HydrophobicContact CB-CD1 4.37Å; F56-L368 HydrophobicContact CD1-CB 3.66Å; F56-L368 HydrophobicContact CD2-CB 3.95Å; F56-L368 HydrophobicContact CD2-CD1 3.67Å; F56-L368 HydrophobicContact CD2-CG 4.45Å; F56-L368 HydrophobicContact CE1-CB 3.91Å; F56-L368 HydrophobicContact CE2-CB 4.19Å; F56-L368 HydrophobicContact CE2-CD1 4.15Å; F56-L368 HydrophobicContact CG-CB 3.69Å; F56-L368 HydrophobicContact CG-CD1 4.04Å; F56-L368 HydrophobicContact CG-CG 4.41Å; F56-L368 HydrophobicContact CZ-CB 4.18Å; L58-L368 HydrophobicContact CD1-CD2 4.22Å; I354-L368 HydrophobicContact CG2-CD2 4.37Å; T364-L368 HydrophobicContact CG2-CD1 4.22Å; T364-L368 WeakPolarHBondContact O-CG 3.28Å; T364-L368 PolarHBondContact O-N 3.1Å; L365-L368 PolarHBondContact O-N 2.97Å; N366-L368 VanDerWaalsContact C-N 3.35Å; N366-L368 PolarHBondContact O-N 3.45Å; L368-Y370 VanDerWaalsContact C-N 3.3Å; L368-A371 PolarHBondContact O-N 2.94Å; L368-Q372 WeakPolarHBondContact O-CB 3.34Å; L368-Q372 PolarHBondContact O-N 2.64Å |
| 369 | R | 94 | Very high | 91.7 | Very high | 90 Ų | 90 | 45.4 Ų | 45.4 | 34% | 0.34 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.3 | -42.8 | 171.8 | -77.8 | -73.1 | -172.8 | -154.4 | 6.7 | 111.5 | F56 L365 N366 Q372 Q373 | F56-R369 HydrophobicContact CE1-CG 3.93Å; F56-R369 HydrophobicContact CZ-CG 4.2Å; L365-R369 HydrophobicContact CD1-CG 4.46Å; L365-R369 WeakPolarHBondContact O-CB 3.39Å; L365-R369 VanDerWaalsContact O-CG 3.28Å; L365-R369 WeakPolarHBondContact O-CG 3.38Å; L365-R369 PolarHBondContact O-N 2.97Å; N366-R369 PolarHBondContact O-N 3.45Å; R369-Q372 PolarHBondContact O-N 3Å; R369-Q373 PolarHBondContact O-N 3.36Å; R369-Q373 VanDerWaalsContact O-N 3.13Å |
| 370 | Y | 94.1 | Very high | 92.2 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 4% | 0.039 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.9 | -46.6 | 175.7 | -174.6 | -77.9 | 0 | 0 | 0 | 111.2 | Y101 L279 I283 M350 N366 T367 L368 Q372 Q373 A374 | Y101-Y370 AromaticContact CD1-CD1 3.95Å; Y101-Y370 HydrophobicContact CD1-CD1 3.95Å; Y101-Y370 HydrophobicContact CD1-CE1 4.24Å; Y101-Y370 HydrophobicContact CD1-CG 4.35Å; Y101-Y370 HydrophobicContact CD2-CE1 4.19Å; Y101-Y370 AromaticContact CE1-CD1 3.88Å; Y101-Y370 HydrophobicContact CE1-CD1 3.88Å; Y101-Y370 HydrophobicContact CE1-CD2 4.23Å; Y101-Y370 HydrophobicContact CE1-CE1 4.33Å; Y101-Y370 AromaticContact CE1-CG 3.81Å; Y101-Y370 HydrophobicContact CE1-CG 3.81Å; Y101-Y370 HydrophobicContact CE2-CD2 4.44Å; Y101-Y370 HydrophobicContact CE2-CE1 4.24Å; Y101-Y370 HydrophobicContact CE2-CE2 4.12Å; Y101-Y370 HydrophobicContact CG-CD1 4.36Å; Y101-Y370 HydrophobicContact CG-CE1 4.19Å; Y101-Y370 AromaticContact CZ-CD2 3.9Å; Y101-Y370 AromaticContact CZ-CG 3.96Å; L279-Y370 WeakPolarHBondContact CD2-OH 3.34Å; L279-Y370 WeakPolarHBondContact CG-OH 3.31Å; I283-Y370 HydrophobicContact CD1-CD1 4.48Å; I283-Y370 HydrophobicContact CD1-CE1 3.52Å; I283-Y370 HydrophobicContact CD1-CE2 4.31Å; I283-Y370 VanDerWaalsContact CD1-CZ 3.41Å; I283-Y370 WeakPolarHBondContact CD1-OH 3.31Å; M350-Y370 HydrophobicContact CE-CD1 3.42Å; M350-Y370 VanDerWaalsContact CE-CD1 3.42Å; M350-Y370 HydrophobicContact CE-CE1 3.79Å; M350-Y370 HydrophobicContact SD-CD1 3.91Å; M350-Y370 HydrophobicContact SD-CE1 3.97Å; N366-Y370 WeakPolarHBondContact O-CB 3.15Å; N366-Y370 PolarHBondContact O-N 3.05Å; T367-Y370 WeakPolarHBondContact O-CB 3.44Å; T367-Y370 PolarHBondContact O-N 3.44Å; L368-Y370 VanDerWaalsContact C-N 3.3Å; Y370-Q372 VanDerWaalsContact C-N 3.32Å; Y370-Q372 PolarHBondContact O-N 3.47Å; Y370-Q373 PolarHBondContact O-N 3.29Å; Y370-Q373 VanDerWaalsContact O-N 3.16Å; Y370-A374 WeakPolarHBondContact O-CB 3.13Å; Y370-A374 PolarHBondContact O-N 3.18Å |
| 371 | A | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58 | -42.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V6 L58 M350 A352 T367 L368 Q373 A374 K375 | V6-A371 HydrophobicContact CG1-CB 3.7Å; L58-A371 HydrophobicContact CD2-CB 4.22Å; M350-A371 HydrophobicContact CE-CB 3.93Å; M350-A371 HydrophobicContact SD-CB 4.21Å; A352-A371 HydrophobicContact CB-CB 4.12Å; T367-A371 WeakPolarHBondContact O-CB 3.47Å; T367-A371 PolarHBondContact O-N 2.93Å; L368-A371 PolarHBondContact O-N 2.94Å; A371-Q373 VanDerWaalsContact C-N 3.34Å; A371-Q373 PolarHBondContact O-N 3.4Å; A371-A374 PolarHBondContact O-N 3.24Å; A371-K375 PolarHBondContact O-N 3.05Å |
| 372 | Q | 93.5 | Very high | 92.8 | Very high | 70 Ų | 70 | 44.5 Ų | 44.5 | 33% | 0.327 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.6 | -40 | 176.4 | -173.1 | -179.6 | 5.2 | 0 | 0 | 112.3 | F56 L368 R369 Y370 | F56-Q372 HydrophobicContact CD1-CB 4.49Å; L368-Q372 WeakPolarHBondContact O-CB 3.34Å; L368-Q372 PolarHBondContact O-N 2.64Å; R369-Q372 PolarHBondContact O-N 3Å; Y370-Q372 VanDerWaalsContact C-N 3.32Å; Y370-Q372 PolarHBondContact O-N 3.47Å |
| 373 | Q | 92.5 | Very high | 93.1 | Very high | 85 Ų | 85 | 42 Ų | 42 | 40% | 0.397 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.9 | -42.8 | 174.4 | -70.1 | 177.5 | -21.8 | 0 | 0 | 111.6 | I283 A287 R369 Y370 A371 K375 L376 | I283-Q373 HydrophobicContact CG2-CB 3.83Å; A287-Q373 HydrophobicContact CB-CB 4.39Å; R369-Q373 PolarHBondContact O-N 3.36Å; R369-Q373 VanDerWaalsContact O-N 3.13Å; Y370-Q373 PolarHBondContact O-N 3.29Å; Y370-Q373 VanDerWaalsContact O-N 3.16Å; A371-Q373 VanDerWaalsContact C-N 3.34Å; A371-Q373 PolarHBondContact O-N 3.4Å; Q373-K375 VanDerWaalsContact C-N 3.29Å; Q373-K375 PolarHBondContact O-N 2.99Å; Q373-L376 WeakPolarHBondContact O-CB 3.47Å; Q373-L376 PolarHBondContact O-N 2.95Å; Q373-L376 VanDerWaalsContact O-N 3.08Å |
| 374 | A | 94.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.5 | -37.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L4 V6 I283 M350 Y370 A371 L376 I377 | L4-A374 VanDerWaalsContact CB-O 3.28Å; L4-A374 WeakPolarHBondContact CB-O 3.36Å; L4-A374 HydrophobicContact CD2-CB 3.81Å; V6-A374 HydrophobicContact CG2-CB 4.48Å; I283-A374 HydrophobicContact CD1-CB 3.94Å; I283-A374 HydrophobicContact CG2-CB 4.22Å; M350-A374 HydrophobicContact SD-CB 3.63Å; Y370-A374 WeakPolarHBondContact O-CB 3.13Å; Y370-A374 PolarHBondContact O-N 3.18Å; A371-A374 PolarHBondContact O-N 3.24Å; A374-L376 PolarHBondContact O-N 3.4Å; A374-L376 VanDerWaalsContact O-N 3.14Å; A374-I377 WeakPolarHBondContact O-CB 3.42Å; A374-I377 WeakPolarHBondContact O-CG1 3.47Å; A374-I377 PolarHBondContact O-N 3.31Å |
| 375 | K | 93.9 | Very high | 93.3 | Very high | 59 Ų | 59 | 43.4 Ų | 43.4 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.4 | 176 | -175.5 | 163.5 | 172.4 | 161.6 | 0 | 113.4 | V6 D59 A371 Q373 I377 | V6-K375 HydrophobicContact CB-CB 4.32Å; V6-K375 HydrophobicContact CG2-CB 3.71Å; V6-K375 HydrophobicContact CG2-CG 4.39Å; D59-K375 VanDerWaalsContact OD1-CE 3.22Å; D59-K375 WeakPolarHBondContact OD1-CE 3.48Å; D59-K375 IonicContact OD1-NZ 2.66Å; D59-K375 PolarHBondContact OD1-NZ 3.48Å; A371-K375 PolarHBondContact O-N 3.05Å; Q373-K375 VanDerWaalsContact C-N 3.29Å; Q373-K375 PolarHBondContact O-N 2.99Å; K375-I377 VanDerWaalsContact C-N 3.31Å |
| 376 | L | 92.5 | Very high | 93.1 | Very high | 97 Ų | 97 | 45.6 Ų | 45.6 | 51% | 0.508 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -12.3 | 177.9 | -59.5 | 175.3 | 0 | 0 | 0 | 112.9 | A287 N290 Q373 A374 | A287-L376 HydrophobicContact CB-CB 3.97Å; A287-L376 HydrophobicContact CB-CD1 4.14Å; N290-L376 PolarHBondContact ND2-O 3.33Å; Q373-L376 WeakPolarHBondContact O-CB 3.47Å; Q373-L376 PolarHBondContact O-N 2.95Å; Q373-L376 VanDerWaalsContact O-N 3.08Å; A374-L376 PolarHBondContact O-N 3.4Å; A374-L376 VanDerWaalsContact O-N 3.14Å |
| 377 | I | 92.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | trans | -73.1 | 137.3 | -178.7 | -58.6 | 178.6 | 0 | 0 | 0 | 110.4 | N3 L4 I283 L286 L342 A374 K375 | N3-I377 WeakPolarHBondContact CA-O 3.39Å; L4-I377 HydrophobicContact CD1-CB 4.49Å; L4-I377 HydrophobicContact CD1-CG2 4.47Å; L4-I377 PolarHBondContact N-O 3.3Å; I283-I377 HydrophobicContact CB-CD1 4.09Å; I283-I377 HydrophobicContact CD1-CD1 4.07Å; I283-I377 HydrophobicContact CG1-CD1 3.8Å; I283-I377 HydrophobicContact CG2-CD1 3.99Å; L286-I377 HydrophobicContact CB-CD1 3.92Å; L286-I377 HydrophobicContact CB-CG1 3.77Å; L286-I377 HydrophobicContact CB-CG2 4.28Å; L286-I377 HydrophobicContact CD1-CD1 4.01Å; L286-I377 HydrophobicContact CD1-CG2 4.17Å; L342-I377 HydrophobicContact CD2-CD1 4.44Å; A374-I377 WeakPolarHBondContact O-CB 3.42Å; A374-I377 WeakPolarHBondContact O-CG1 3.47Å; A374-I377 PolarHBondContact O-N 3.31Å; K375-I377 VanDerWaalsContact C-N 3.31Å | ||
| 378 | K | 91.8 | Very high | 92.3 | Very high | 92 Ų | 92 | 52.1 Ų | 52.1 | 40% | 0.4 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.6 | 177.2 | -73.8 | 176.3 | -179.2 | 178.9 | 0 | 110.5 | M1 N3 N290 | M1-K378 HydrophobicContact CE-CB 4.09Å; N3-K378 VanDerWaalsContact OD1-CG 3.29Å; N3-K378 WeakPolarHBondContact OD1-CG 3.45Å; N290-K378 PolarHBondContact ND2-N 2.99Å |
| 379 | N | 93.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 160.8 | 173.6 | -73 | 7.3 | 0 | 0 | 0 | 111.6 | M1 S2 S341 G343 A346 T348 P381 | M1-N379 CarbonylContact C-O 3.49Å; M1-N379 VanDerWaalsContact CA-O 3.25Å; M1-N379 WeakPolarHBondContact CA-O 3.46Å; S2-N379 PolarHBondContact N-O 3.18Å; S2-N379 PolarHBondContact O-N 3.37Å; S341-N379 PolarHBondContact O-ND2 3.4Å; G343-N379 VanDerWaalsContact CA-OD1 3.24Å; G343-N379 WeakPolarHBondContact CA-OD1 3.49Å; G343-N379 PolarHBondContact N-OD1 3.46Å; A346-N379 VanDerWaalsContact O-CB 3.28Å; A346-N379 WeakPolarHBondContact O-CB 3.47Å; A346-N379 PolarHBondContact O-ND2 3.37Å; T348-N379 WeakPolarHBondContact CB-ND2 3.47Å; T348-N379 PolarHBondContact OG1-ND2 2.85Å; N379-P381 WeakPolarHBondContact O-CD 3.23Å |
| 380 | V | 92.3 | Very high | 91.6 | Very high | 78 Ų | 78 | 50.5 Ų | 50.5 | 47% | 0.473 | 27% | 0.272 | S | S | . | . | trans | -123.1 | 71.1 | 177.5 | -167.2 | 0 | 0 | 0 | 0 | 109.2 | M1 G344 K382 | M1-V380 HydrophobicContact CE-CG2 3.64Å; M1-V380 HydrophobicContact CG-CG2 4.23Å; G344-V380 CarbonylContact O-C 3.56Å; G344-V380 PolarHBondContact O-N 2.75Å; V380-K382 PolarHBondContact O-N 3.48Å | ||
| 381 | P | 94 | Very high | 91.3 | Very high | 25 Ų | 25 | 56.8 Ų | 56.8 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | trans | -64.9 | 134.4 | 175.9 | 27.3 | -33.2 | 0 | 0 | 0 | 110.3 | S2 Y94 H347 N379 | S2-P381 WeakPolarHBondContact OG-CD 3.19Å; S2-P381 WeakPolarHBondContact OG-CG 3.47Å; Y94-P381 HydrophobicContact CD1-CB 4.02Å; H347-P381 WeakPolarHBondContact CE1-CG 3.41Å; N379-P381 WeakPolarHBondContact O-CD 3.23Å | ||
| 382 | K | 92.2 | Very high | 90.9 | Very high | 119 Ų | 119 | 59.1 Ų | 59.1 | 52% | 0.517 | 31% | 0.309 | S | S | . | . | trans | -123.8 | 154 | 173 | 58.5 | 166.8 | -176.7 | 177.4 | 0 | 109.9 | Y94 N345 V380 N384 | Y94-K382 WeakPolarHBondContact CD1-O 3.09Å; N345-K382 HydrophobicContact CB-CG 4.41Å; N345-K382 VanDerWaalsContact CG-CG 3.43Å; N345-K382 WeakPolarHBondContact ND2-CE 3.45Å; N345-K382 WeakPolarHBondContact ND2-CG 3.18Å; N345-K382 VanDerWaalsContact OD1-CG 3.24Å; N345-K382 WeakPolarHBondContact OD1-CG 3.43Å; N345-K382 PolarHBondContact OD1-N 3.04Å; N345-K382 PolarHBondContact OD1-O 3.26Å; V380-K382 PolarHBondContact O-N 3.48Å; K382-N384 PolarHBondContact O-N 2.92Å; K382-N384 PolarHBondContact O-ND2 3.45Å; K382-N384 VanDerWaalsContact O-ND2 3.1Å | ||
| 383 | V | 93.2 | Very high | 90.5 | Very high | 49 Ų | 49 | 60 Ų | 60 | 30% | 0.297 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -68.9 | 123.9 | 170 | 179.8 | 0 | 0 | 0 | 0 | 107.8 | Y94 E385 | Y94-V383 HydrophobicContact CD1-CG2 4.34Å; Y94-V383 HydrophobicContact CE1-CG2 3.69Å; Y94-V383 HydrophobicContact CE2-CG2 3.86Å; Y94-V383 VanDerWaalsContact CZ-CG2 3.42Å; V383-E385 PolarHBondContact O-N 3.37Å |
| 384 | N | 92.9 | Very high | 90.4 | Very high | 24 Ų | 24 | 61.6 Ų | 61.6 | 13% | 0.128 | 32% | 0.319 | C | S | . | . | trans | -95.7 | 93.7 | -177.6 | -59 | -72.3 | 0 | 0 | 0 | 108.7 | G93 N95 I242 N243 N345 K382 | G93-N384 PolarHBondContact O-N 3.42Å; G93-N384 PolarHBondContact O-ND2 3.38Å; G93-N384 VanDerWaalsContact O-ND2 3.07Å; N95-N384 PolarHBondContact N-ND2 3.5Å; N95-N384 PolarHBondContact ND2-ND2 3.43Å; N95-N384 PolarHBondContact OD1-ND2 2.91Å; I242-N384 WeakPolarHBondContact CA-O 3.45Å; N243-N384 PolarHBondContact N-O 3.05Å; N243-N384 WeakPolarHBondContact O-CB 3.41Å; N345-N384 PolarHBondContact ND2-OD1 3.5Å; K382-N384 PolarHBondContact O-N 2.92Å; K382-N384 PolarHBondContact O-ND2 3.45Å; K382-N384 VanDerWaalsContact O-ND2 3.1Å | ||
| 385 | E | 91.3 | Very high | 90.3 | Very high | 37 Ų | 37 | 64.6 Ų | 64.6 | 17% | 0.173 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -126.7 | 158 | 176.5 | 62.9 | -171.6 | -170.3 | 0 | 0 | 110.3 | R240 T241 V383 T389 T390 K393 | R240-E385 IonicContact NE-OE2 2.83Å; T241-E385 WeakPolarHBondContact O-CA 3.33Å; T241-E385 VanDerWaalsContact O-CB 3.23Å; T241-E385 WeakPolarHBondContact O-CB 3.38Å; V383-E385 PolarHBondContact O-N 3.37Å; E385-T389 HydrophobicContact CB-CG2 4.17Å; E385-T389 HydrophobicContact CG-CG2 4.22Å; E385-T390 WeakPolarHBondContact CG-OG1 3.36Å; E385-K393 WeakPolarHBondContact OE1-CE 3.44Å; E385-K393 IonicContact OE1-NZ 3.28Å; E385-K393 PolarHBondContact OE1-NZ 3.39Å; E385-K393 WeakPolarHBondContact OE2-CE 3.46Å; E385-K393 IonicContact OE2-NZ 3.29Å; E385-K393 PolarHBondContact OE2-NZ 3.12Å |
| 386 | D | 88.1 | Confident | 89.9 | Confident | 58 Ų | 58 | 64.3 Ų | 64.3 | 31% | 0.31 | 34% | 0.336 | S | S | . | . | trans | -65.4 | 152.1 | -175.3 | -70 | -6.3 | 0 | 0 | 0 | 111.6 | T241 N243 C388 T389 T390 | T241-D386 WeakPolarHBondContact CB-OD2 3.47Å; T241-D386 WeakPolarHBondContact CG2-OD2 3.4Å; T241-D386 PolarHBondContact O-N 2.91Å; T241-D386 VanDerWaalsContact O-N 3.16Å; N243-D386 PolarHBondContact ND2-OD1 3.15Å; D386-C388 PolarHBondContact O-N 3.31Å; D386-T389 WeakPolarHBondContact O-CA 3.36Å; D386-T389 WeakPolarHBondContact O-CB 3.29Å; D386-T389 PolarHBondContact O-N 2.79Å; D386-T390 PolarHBondContact O-N 3.34Å; D386-T390 PolarHBondContact O-OG1 3.3Å | ||
| 387 | S | 86 | Confident | 89.7 | Confident | 105 Ų | 105 | 64.8 Ų | 64.8 | 73% | 0.734 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -54.9 | -38.5 | 178.9 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | T390 Y391 | S387-T390 PolarHBondContact O-N 2.84Å; S387-Y391 VanDerWaalsContact O-CB 3.31Å; S387-Y391 WeakPolarHBondContact O-CB 3.25Å; S387-Y391 PolarHBondContact O-N 3.26Å |
| 388 | C | 84.6 | Confident | 89.8 | Confident | 94 Ų | 94 | 69.9 Ų | 69.9 | 64% | 0.635 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.1 | -44.9 | 175 | -62.5 | 0 | 0 | 0 | 0 | 112 | D386 Y391 I392 | D386-C388 PolarHBondContact O-N 3.31Å; C388-Y391 PolarHBondContact O-N 3.06Å; C388-I392 WeakPolarHBondContact O-CB 3.26Å; C388-I392 WeakPolarHBondContact O-CD1 3.36Å; C388-I392 WeakPolarHBondContact O-CG1 3.48Å; C388-I392 PolarHBondContact O-N 2.92Å |
| 389 | T | 86.8 | Confident | 89.7 | Confident | 6 Ų | 6 | 69.3 Ų | 69.3 | 4% | 0.037 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 177.5 | -61.4 | 0 | 0 | 0 | 0 | 110.8 | R240 T241 E385 D386 Y391 I392 K393 | R240-T389 HydrophobicContact CB-CG2 4.13Å; R240-T389 HydrophobicContact CG-CG2 3.88Å; T241-T389 PolarHBondContact N-OG1 3.13Å; E385-T389 HydrophobicContact CB-CG2 4.17Å; E385-T389 HydrophobicContact CG-CG2 4.22Å; D386-T389 WeakPolarHBondContact O-CA 3.36Å; D386-T389 WeakPolarHBondContact O-CB 3.29Å; D386-T389 PolarHBondContact O-N 2.79Å; T389-Y391 VanDerWaalsContact C-N 3.35Å; T389-Y391 PolarHBondContact O-N 2.94Å; T389-I392 PolarHBondContact O-N 3.44Å; T389-K393 WeakPolarHBondContact O-CG 3.3Å; T389-K393 PolarHBondContact O-N 2.95Å; T389-K393 VanDerWaalsContact O-N 3.08Å |
| 390 | T | 86.9 | Confident | 89.5 | Confident | 51 Ų | 51 | 72.5 Ų | 72.5 | 31% | 0.313 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 178.9 | -54.2 | 0 | 0 | 0 | 0 | 111 | E385 D386 S387 K393 Q394 | E385-T390 WeakPolarHBondContact CG-OG1 3.36Å; D386-T390 PolarHBondContact O-N 3.34Å; D386-T390 PolarHBondContact O-OG1 3.3Å; S387-T390 PolarHBondContact O-N 2.84Å; T390-K393 PolarHBondContact O-N 3.46Å; T390-Q394 WeakPolarHBondContact O-CG 3.38Å; T390-Q394 PolarHBondContact O-N 2.99Å |
| 391 | Y | 88.2 | Confident | 89.4 | Confident | 141 Ų | 141 | 71 Ų | 71 | 55% | 0.553 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.5 | -42.8 | -179.6 | -172.4 | -117.4 | 0 | 0 | 0 | 112.2 | S387 C388 T389 K393 Q394 L395 | S387-Y391 VanDerWaalsContact O-CB 3.31Å; S387-Y391 WeakPolarHBondContact O-CB 3.25Å; S387-Y391 PolarHBondContact O-N 3.26Å; C388-Y391 PolarHBondContact O-N 3.06Å; T389-Y391 VanDerWaalsContact C-N 3.35Å; T389-Y391 PolarHBondContact O-N 2.94Å; Y391-K393 VanDerWaalsContact C-N 3.34Å; Y391-K393 PolarHBondContact O-N 3.08Å; Y391-Q394 PolarHBondContact O-N 3.42Å; Y391-L395 HydrophobicContact CD1-CD1 3.86Å; Y391-L395 HydrophobicContact CD1-CG 4.43Å; Y391-L395 HydrophobicContact CE1-CD1 3.5Å; Y391-L395 VanDerWaalsContact CE1-CD1 3.5Å; Y391-L395 HydrophobicContact CE1-CG 4.16Å; Y391-L395 HydrophobicContact CE2-CD2 4.46Å; Y391-L395 HydrophobicContact CE2-CG 4.39Å; Y391-L395 WeakPolarHBondContact O-CG 3.29Å; Y391-L395 PolarHBondContact O-N 2.82Å |
| 392 | I | 87.7 | Confident | 89.3 | Confident | 50 Ų | 50 | 73.2 Ų | 73.2 | 26% | 0.256 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.8 | -45.9 | 175.1 | -70 | 165.3 | 0 | 0 | 0 | 110.6 | F238 P239 C388 T389 Q394 L395 L396 | F238-I392 HydrophobicContact CB-CG2 4.15Å; F238-I392 HydrophobicContact CD1-CG2 4Å; F238-I392 HydrophobicContact CG-CG2 4.26Å; P239-I392 HydrophobicContact CG-CD1 3.97Å; C388-I392 WeakPolarHBondContact O-CB 3.26Å; C388-I392 WeakPolarHBondContact O-CD1 3.36Å; C388-I392 WeakPolarHBondContact O-CG1 3.48Å; C388-I392 PolarHBondContact O-N 2.92Å; T389-I392 PolarHBondContact O-N 3.44Å; I392-Q394 VanDerWaalsContact C-N 3.33Å; I392-Q394 PolarHBondContact O-N 3.03Å; I392-L395 PolarHBondContact O-N 3.45Å; I392-L396 HydrophobicContact CG2-CD1 3.79Å; I392-L396 HydrophobicContact CG2-CG 4.34Å; I392-L396 WeakPolarHBondContact O-CB 3.28Å; I392-L396 VanDerWaalsContact O-CG 3.22Å; I392-L396 WeakPolarHBondContact O-CG 3.4Å; I392-L396 PolarHBondContact O-N 2.99Å |
| 393 | K | 85.7 | Confident | 89.1 | Confident | 89 Ų | 89 | 74.3 Ų | 74.3 | 39% | 0.387 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 176.6 | -72.3 | -180 | -175 | 175.9 | 0 | 112.9 | E385 T389 T390 Y391 L396 N397 | E385-K393 WeakPolarHBondContact OE1-CE 3.44Å; E385-K393 IonicContact OE1-NZ 3.28Å; E385-K393 PolarHBondContact OE1-NZ 3.39Å; E385-K393 WeakPolarHBondContact OE2-CE 3.46Å; E385-K393 IonicContact OE2-NZ 3.29Å; E385-K393 PolarHBondContact OE2-NZ 3.12Å; T389-K393 WeakPolarHBondContact O-CG 3.3Å; T389-K393 PolarHBondContact O-N 2.95Å; T389-K393 VanDerWaalsContact O-N 3.08Å; T390-K393 PolarHBondContact O-N 3.46Å; Y391-K393 VanDerWaalsContact C-N 3.34Å; Y391-K393 PolarHBondContact O-N 3.08Å; K393-L396 PolarHBondContact O-N 3.36Å; K393-N397 WeakPolarHBondContact O-CB 3.45Å; K393-N397 PolarHBondContact O-N 3.3Å |
| 394 | Q | 89.4 | Confident | 88.9 | Confident | 118 Ų | 118 | 77.1 Ų | 77.1 | 55% | 0.551 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.6 | -47.5 | 176.9 | -74.2 | 176.9 | -14.8 | 0 | 0 | 111.4 | T390 Y391 I392 L396 N397 E398 | T390-Q394 WeakPolarHBondContact O-CG 3.38Å; T390-Q394 PolarHBondContact O-N 2.99Å; Y391-Q394 PolarHBondContact O-N 3.42Å; I392-Q394 VanDerWaalsContact C-N 3.33Å; I392-Q394 PolarHBondContact O-N 3.03Å; Q394-L396 VanDerWaalsContact C-N 3.31Å; Q394-L396 PolarHBondContact O-N 2.95Å; Q394-N397 PolarHBondContact O-N 2.95Å; Q394-E398 WeakPolarHBondContact O-CB 3.42Å; Q394-E398 PolarHBondContact O-N 3.39Å |
| 395 | L | 91.6 | Very high | 88.5 | Confident | 63 Ų | 63 | 82.5 Ų | 82.5 | 33% | 0.33 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.2 | -39 | 176.6 | -70.4 | 177.4 | 0 | 0 | 0 | 112.2 | Y391 I392 E398 I399 | Y391-L395 HydrophobicContact CD1-CD1 3.86Å; Y391-L395 HydrophobicContact CD1-CG 4.43Å; Y391-L395 HydrophobicContact CE1-CD1 3.5Å; Y391-L395 VanDerWaalsContact CE1-CD1 3.5Å; Y391-L395 HydrophobicContact CE1-CG 4.16Å; Y391-L395 HydrophobicContact CE2-CD2 4.46Å; Y391-L395 HydrophobicContact CE2-CG 4.39Å; Y391-L395 WeakPolarHBondContact O-CG 3.29Å; Y391-L395 PolarHBondContact O-N 2.82Å; I392-L395 PolarHBondContact O-N 3.45Å; L395-E398 PolarHBondContact O-N 2.9Å; L395-I399 WeakPolarHBondContact O-CB 3.48Å; L395-I399 VanDerWaalsContact O-CG1 3.25Å; L395-I399 WeakPolarHBondContact O-CG1 3.41Å; L395-I399 PolarHBondContact O-N 3.46Å |
| 396 | L | 85.5 | Confident | 88.2 | Confident | 52 Ų | 52 | 85.8 Ų | 85.8 | 27% | 0.272 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.5 | -40.3 | 177 | -70 | 168.3 | 0 | 0 | 0 | 112.7 | F238 I392 K393 Q394 E398 I399 S400 | F238-L396 HydrophobicContact CB-CD1 4.37Å; F238-L396 HydrophobicContact CD1-CD1 3.59Å; F238-L396 HydrophobicContact CD1-CD2 4.29Å; F238-L396 HydrophobicContact CD1-CG 4.43Å; F238-L396 HydrophobicContact CD2-CD1 3.37Å; F238-L396 HydrophobicContact CE1-CD1 3.6Å; F238-L396 HydrophobicContact CE1-CD2 3.47Å; F238-L396 VanDerWaalsContact CE1-CD2 3.47Å; F238-L396 HydrophobicContact CE1-CG 4.07Å; F238-L396 HydrophobicContact CE2-CD1 3.38Å; F238-L396 HydrophobicContact CE2-CD2 3.92Å; F238-L396 HydrophobicContact CE2-CG 4.27Å; F238-L396 HydrophobicContact CG-CD1 3.47Å; F238-L396 VanDerWaalsContact CG-CD1 3.47Å; F238-L396 HydrophobicContact CZ-CD1 3.5Å; F238-L396 HydrophobicContact CZ-CD2 3.25Å; F238-L396 HydrophobicContact CZ-CG 3.98Å; I392-L396 HydrophobicContact CG2-CD1 3.79Å; I392-L396 HydrophobicContact CG2-CG 4.34Å; I392-L396 WeakPolarHBondContact O-CB 3.28Å; I392-L396 VanDerWaalsContact O-CG 3.22Å; I392-L396 WeakPolarHBondContact O-CG 3.4Å; I392-L396 PolarHBondContact O-N 2.99Å; K393-L396 PolarHBondContact O-N 3.36Å; Q394-L396 VanDerWaalsContact C-N 3.31Å; Q394-L396 PolarHBondContact O-N 2.95Å; L396-E398 VanDerWaalsContact C-N 3.29Å; L396-I399 PolarHBondContact O-N 3.34Å; L396-S400 VanDerWaalsContact O-CB 3.32Å; L396-S400 WeakPolarHBondContact O-CB 3.3Å; L396-S400 PolarHBondContact O-N 2.92Å |
| 397 | N | 89.8 | Confident | 87.8 | Confident | 108 Ų | 108 | 89.7 Ų | 89.7 | 58% | 0.578 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.3 | -42.4 | 173.1 | -169.9 | 36.5 | 0 | 0 | 0 | 110.2 | K393 Q394 S400 T401 | K393-N397 WeakPolarHBondContact O-CB 3.45Å; K393-N397 PolarHBondContact O-N 3.3Å; Q394-N397 PolarHBondContact O-N 2.95Å; N397-S400 WeakPolarHBondContact O-CB 3.23Å; N397-S400 PolarHBondContact O-N 3.24Å; N397-T401 VanDerWaalsContact O-CG2 3.23Å; N397-T401 WeakPolarHBondContact O-CG2 3.21Å; N397-T401 PolarHBondContact O-N 2.85Å; N397-T401 PolarHBondContact O-OG1 3.42Å |
| 398 | E | 94.3 | Very high | 87.5 | Confident | 107 Ų | 107 | 89.5 Ų | 89.5 | 50% | 0.5 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61 | -50 | 175.2 | -173.1 | 170.6 | -171.3 | 0 | 0 | 111.5 | Q394 L395 L396 S400 T401 L402 | Q394-E398 WeakPolarHBondContact O-CB 3.42Å; Q394-E398 PolarHBondContact O-N 3.39Å; L395-E398 PolarHBondContact O-N 2.9Å; L396-E398 VanDerWaalsContact C-N 3.29Å; E398-S400 VanDerWaalsContact C-N 3.28Å; E398-S400 PolarHBondContact O-N 2.82Å; E398-T401 WeakPolarHBondContact CA-OG1 3.32Å; E398-T401 PolarHBondContact O-N 2.81Å; E398-T401 VanDerWaalsContact O-N 3.16Å; E398-T401 PolarHBondContact O-OG1 2.73Å; E398-L402 HydrophobicContact CG-CD1 3.9Å; E398-L402 HydrophobicContact CG-CG 4.31Å; E398-L402 WeakPolarHBondContact O-CB 3.28Å; E398-L402 VanDerWaalsContact O-CG 3.26Å; E398-L402 WeakPolarHBondContact O-CG 3.35Å; E398-L402 PolarHBondContact O-N 2.88Å |
| 399 | I | 89.6 | Confident | 87.1 | Confident | 80 Ų | 80 | 91.6 Ų | 91.6 | 41% | 0.41 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.2 | -42.6 | 175 | -69.9 | 165.1 | 0 | 0 | 0 | 111.1 | L395 L396 L402 K403 | L395-I399 WeakPolarHBondContact O-CB 3.48Å; L395-I399 VanDerWaalsContact O-CG1 3.25Å; L395-I399 WeakPolarHBondContact O-CG1 3.41Å; L395-I399 PolarHBondContact O-N 3.46Å; L396-I399 PolarHBondContact O-N 3.34Å; I399-L402 PolarHBondContact O-N 3.21Å; I399-K403 HydrophobicContact CG2-CD 3.96Å; I399-K403 HydrophobicContact CG2-CG 4.31Å; I399-K403 VanDerWaalsContact O-CB 3.32Å; I399-K403 WeakPolarHBondContact O-CB 3.43Å; I399-K403 VanDerWaalsContact O-CG 3.27Å; I399-K403 WeakPolarHBondContact O-CG 3.47Å; I399-K403 PolarHBondContact O-N 3.38Å |
| 400 | S | 88.6 | Confident | 86.4 | Confident | 69 Ų | 69 | 96 Ų | 96 | 48% | 0.483 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.4 | -47 | 177.3 | -174.1 | 0 | 0 | 0 | 0 | 111.3 | L396 N397 E398 L402 K403 Q404 | L396-S400 VanDerWaalsContact O-CB 3.32Å; L396-S400 WeakPolarHBondContact O-CB 3.3Å; L396-S400 PolarHBondContact O-N 2.92Å; N397-S400 WeakPolarHBondContact O-CB 3.23Å; N397-S400 PolarHBondContact O-N 3.24Å; E398-S400 VanDerWaalsContact C-N 3.28Å; E398-S400 PolarHBondContact O-N 2.82Å; S400-L402 VanDerWaalsContact C-N 3.34Å; S400-L402 PolarHBondContact O-N 2.87Å; S400-K403 PolarHBondContact O-N 2.86Å; S400-Q404 WeakPolarHBondContact O-CB 3.4Å; S400-Q404 PolarHBondContact O-N 2.97Å |
| 401 | T | 91.6 | Very high | 85.1 | Confident | 45 Ų | 45 | 100.2 Ų | 100.2 | 28% | 0.276 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.4 | -35.8 | 177.6 | 63.4 | 0 | 0 | 0 | 0 | 112.6 | N397 E398 Q404 R405 | N397-T401 VanDerWaalsContact O-CG2 3.23Å; N397-T401 WeakPolarHBondContact O-CG2 3.21Å; N397-T401 PolarHBondContact O-N 2.85Å; N397-T401 PolarHBondContact O-OG1 3.42Å; E398-T401 WeakPolarHBondContact CA-OG1 3.32Å; E398-T401 PolarHBondContact O-N 2.81Å; E398-T401 VanDerWaalsContact O-N 3.16Å; E398-T401 PolarHBondContact O-OG1 2.73Å; T401-Q404 PolarHBondContact O-N 3.13Å; T401-R405 WeakPolarHBondContact O-CB 3.44Å; T401-R405 WeakPolarHBondContact O-CD 3.31Å; T401-R405 VanDerWaalsContact O-CG 3.25Å; T401-R405 WeakPolarHBondContact O-CG 3.34Å; T401-R405 PolarHBondContact O-N 2.82Å |
| 402 | L | 91 | Very high | 83.6 | Confident | 71.5 Ų | 71.5 | 96.9 Ų | 96.9 | 37% | 0.374 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.5 | -43.1 | 175.8 | -69.8 | 173.1 | 0 | 0 | 0 | 111.3 | E398 I399 S400 Q404 R405 L406 | E398-L402 HydrophobicContact CG-CD1 3.9Å; E398-L402 HydrophobicContact CG-CG 4.31Å; E398-L402 WeakPolarHBondContact O-CB 3.28Å; E398-L402 VanDerWaalsContact O-CG 3.26Å; E398-L402 WeakPolarHBondContact O-CG 3.35Å; E398-L402 PolarHBondContact O-N 2.88Å; I399-L402 PolarHBondContact O-N 3.21Å; S400-L402 VanDerWaalsContact C-N 3.34Å; S400-L402 PolarHBondContact O-N 2.87Å; L402-Q404 VanDerWaalsContact C-N 3.33Å; L402-Q404 PolarHBondContact O-N 3.38Å; L402-R405 PolarHBondContact O-N 3.19Å; L402-L406 WeakPolarHBondContact O-CG 3.25Å; L402-L406 PolarHBondContact O-N 3.28Å |
| 403 | K | 88.8 | Confident | 82.2 | Confident | 142.5 Ų | 142.5 | 98.6 Ų | 98.6 | 62% | 0.62 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.6 | -42.1 | 172.8 | -76.9 | 176 | 177.8 | -179.5 | 0 | 111.7 | I399 S400 L406 Y407 | I399-K403 HydrophobicContact CG2-CD 3.96Å; I399-K403 HydrophobicContact CG2-CG 4.31Å; I399-K403 VanDerWaalsContact O-CB 3.32Å; I399-K403 WeakPolarHBondContact O-CB 3.43Å; I399-K403 VanDerWaalsContact O-CG 3.27Å; I399-K403 WeakPolarHBondContact O-CG 3.47Å; I399-K403 PolarHBondContact O-N 3.38Å; S400-K403 PolarHBondContact O-N 2.86Å; K403-L406 PolarHBondContact O-N 3.22Å; K403-Y407 WeakPolarHBondContact O-CB 3.29Å; K403-Y407 PolarHBondContact O-N 3.17Å |
| 404 | Q | 88 | Confident | 80.8 | Confident | 107.5 Ų | 107.5 | 99 Ų | 99 | 50% | 0.502 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.9 | -47.5 | 174.2 | -178.7 | -177.8 | -14.4 | 0 | 0 | 111.4 | S400 T401 L402 L406 Y407 E408 | S400-Q404 WeakPolarHBondContact O-CB 3.4Å; S400-Q404 PolarHBondContact O-N 2.97Å; T401-Q404 PolarHBondContact O-N 3.13Å; L402-Q404 VanDerWaalsContact C-N 3.33Å; L402-Q404 PolarHBondContact O-N 3.38Å; Q404-L406 VanDerWaalsContact C-N 3.32Å; Q404-L406 PolarHBondContact O-N 3.31Å; Q404-Y407 WeakPolarHBondContact O-CB 3.26Å; Q404-Y407 PolarHBondContact O-N 3.06Å; Q404-Y407 VanDerWaalsContact O-N 3.17Å; Q404-E408 HydrophobicContact CG-CG 4.47Å; Q404-E408 WeakPolarHBondContact CG-OE1 3.06Å; Q404-E408 PolarHBondContact NE2-OE1 3.22Å; Q404-E408 WeakPolarHBondContact O-CG 3.39Å; Q404-E408 PolarHBondContact O-N 3.44Å |
| 405 | R | 85.7 | Confident | 79.5 | Confident | 139 Ų | 139 | 94.9 Ų | 94.9 | 53% | 0.525 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.5 | -36.2 | 177.8 | -73.5 | 168.5 | -177.7 | 173.4 | 0.2 | 112.9 | T401 L402 K409 | T401-R405 WeakPolarHBondContact O-CB 3.44Å; T401-R405 WeakPolarHBondContact O-CD 3.31Å; T401-R405 VanDerWaalsContact O-CG 3.25Å; T401-R405 WeakPolarHBondContact O-CG 3.34Å; T401-R405 PolarHBondContact O-N 2.82Å; L402-R405 PolarHBondContact O-N 3.19Å; R405-K409 VanDerWaalsContact O-CB 3.3Å; R405-K409 WeakPolarHBondContact O-CB 3.41Å; R405-K409 PolarHBondContact O-N 3.16Å; R405-K409 VanDerWaalsContact O-N 3.08Å |
| 406 | L | 84.3 | Confident | 78 | Confident | 104.5 Ų | 104.5 | 101.1 Ų | 101.1 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -47.9 | 173.1 | -72.3 | 174.2 | 0 | 0 | 0 | 110.8 | L402 K403 Q404 E408 K409 D410 | L402-L406 WeakPolarHBondContact O-CG 3.25Å; L402-L406 PolarHBondContact O-N 3.28Å; K403-L406 PolarHBondContact O-N 3.22Å; Q404-L406 VanDerWaalsContact C-N 3.32Å; Q404-L406 PolarHBondContact O-N 3.31Å; L406-E408 VanDerWaalsContact C-N 3.34Å; L406-E408 PolarHBondContact O-N 2.99Å; L406-K409 WeakPolarHBondContact O-CA 3.34Å; L406-K409 WeakPolarHBondContact O-CB 3.4Å; L406-K409 PolarHBondContact O-N 3.21Å; L406-K409 VanDerWaalsContact O-N 3.15Å; L406-D410 PolarHBondContact O-N 3.09Å |
| 407 | Y | 80.6 | Confident | 76.6 | Confident | 141.5 Ų | 141.5 | 106.6 Ų | 106.6 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -56.5 | -48.5 | 176 | -168 | -108.5 | 0 | 0 | 0 | 111.5 | K403 Q404 K409 D410 Y411 | K403-Y407 WeakPolarHBondContact O-CB 3.29Å; K403-Y407 PolarHBondContact O-N 3.17Å; Q404-Y407 WeakPolarHBondContact O-CB 3.26Å; Q404-Y407 PolarHBondContact O-N 3.06Å; Q404-Y407 VanDerWaalsContact O-N 3.17Å; Y407-K409 VanDerWaalsContact C-N 3.3Å; Y407-K409 PolarHBondContact O-N 3.14Å; Y407-D410 PolarHBondContact O-N 3.13Å; Y407-D410 VanDerWaalsContact O-N 3.17Å; Y407-Y411 AromaticContact CD1-CD2 3.82Å; Y407-Y411 HydrophobicContact CD1-CD2 4.08Å; Y407-Y411 AromaticContact CD1-CE2 3.76Å; Y407-Y411 HydrophobicContact CD1-CE2 3.76Å; Y407-Y411 HydrophobicContact CD2-CD2 4.37Å; Y407-Y411 AromaticContact CD2-CE2 3.8Å; Y407-Y411 HydrophobicContact CD2-CE2 3.91Å; Y407-Y411 AromaticContact CE1-CD2 3.69Å; Y407-Y411 HydrophobicContact CE1-CD2 4.07Å; Y407-Y411 AromaticContact CE1-CE2 3.38Å; Y407-Y411 HydrophobicContact CE1-CE2 3.38Å; Y407-Y411 AromaticContact CE1-CZ 3.8Å; Y407-Y411 HydrophobicContact CE2-CD2 4.29Å; Y407-Y411 AromaticContact CE2-CE2 3.55Å; Y407-Y411 HydrophobicContact CE2-CE2 3.55Å; Y407-Y411 HydrophobicContact CG-CD2 4.33Å; Y407-Y411 HydrophobicContact CG-CE2 4.01Å; Y407-Y411 AromaticContact CZ-CD2 3.97Å; Y407-Y411 AromaticContact CZ-CE2 3.27Å; Y407-Y411 AromaticContact CZ-CZ 3.69Å; Y407-Y411 VanDerWaalsContact CZ-CZ 3.43Å; Y407-Y411 VanDerWaalsContact O-CD2 3.25Å; Y407-Y411 WeakPolarHBondContact O-CD2 3.44Å; Y407-Y411 PolarHBondContact O-N 3.39Å; Y407-Y411 VanDerWaalsContact O-N 3.14Å; Y407-Y411 WeakPolarHBondContact OH-CE2 3.05Å; Y407-Y411 VanDerWaalsContact OH-CZ 3.24Å; Y407-Y411 PolarHBondContact OH-OH 3.2Å |
| 408 | E | 79.7 | Confident | 75.5 | Confident | 101 Ų | 101 | 105.9 Ų | 105.9 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.2 | -37.6 | 175.8 | -72 | 169.5 | -175.7 | 0 | 0 | 112.9 | Q404 L406 C412 | Q404-E408 HydrophobicContact CG-CG 4.47Å; Q404-E408 WeakPolarHBondContact CG-OE1 3.06Å; Q404-E408 PolarHBondContact NE2-OE1 3.22Å; Q404-E408 WeakPolarHBondContact O-CG 3.39Å; Q404-E408 PolarHBondContact O-N 3.44Å; L406-E408 VanDerWaalsContact C-N 3.34Å; L406-E408 PolarHBondContact O-N 2.99Å; E408-C412 WeakPolarHBondContact O-CB 3.28Å; E408-C412 PolarHBondContact O-N 3.17Å; E408-C412 VanDerWaalsContact O-N 3.07Å |
| 409 | K | 74.7 | Confident | 74.3 | Confident | 136.5 Ų | 136.5 | 105 Ų | 105 | 59% | 0.593 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.2 | -38.4 | 177.4 | -169.6 | -179.3 | 178.8 | -177.4 | 0 | 112.4 | R405 L406 Y407 C412 T413 | R405-K409 VanDerWaalsContact O-CB 3.3Å; R405-K409 WeakPolarHBondContact O-CB 3.41Å; R405-K409 PolarHBondContact O-N 3.16Å; R405-K409 VanDerWaalsContact O-N 3.08Å; L406-K409 WeakPolarHBondContact O-CA 3.34Å; L406-K409 WeakPolarHBondContact O-CB 3.4Å; L406-K409 PolarHBondContact O-N 3.21Å; L406-K409 VanDerWaalsContact O-N 3.15Å; Y407-K409 VanDerWaalsContact C-N 3.3Å; Y407-K409 PolarHBondContact O-N 3.14Å; K409-C412 PolarHBondContact O-N 2.98Å; K409-T413 WeakPolarHBondContact O-CB 3.21Å; K409-T413 PolarHBondContact O-N 3.07Å; K409-T413 PolarHBondContact O-OG1 3.12Å |
| 410 | D | 72.1 | Confident | 73.3 | Confident | 98 Ų | 98 | 106.9 Ų | 106.9 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 177.1 | -68.6 | -23.8 | 0 | 0 | 0 | 110.9 | L406 Y407 C412 T413 V414 | L406-D410 PolarHBondContact O-N 3.09Å; Y407-D410 PolarHBondContact O-N 3.13Å; Y407-D410 VanDerWaalsContact O-N 3.17Å; D410-C412 VanDerWaalsContact C-N 3.34Å; D410-C412 PolarHBondContact O-N 3.08Å; D410-T413 PolarHBondContact O-N 3.09Å; D410-T413 VanDerWaalsContact O-N 3.15Å; D410-V414 WeakPolarHBondContact O-CG2 3.41Å; D410-V414 PolarHBondContact O-N 3.32Å |
| 411 | Y | 59.2 | Low | 72.3 | Confident | 140.5 Ų | 140.5 | 105.4 Ų | 105.4 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.8 | -37.7 | 173.1 | -78.5 | -83.8 | 0 | 0 | 0 | 113 | Y407 T413 G415 | Y407-Y411 AromaticContact CD1-CD2 3.82Å; Y407-Y411 HydrophobicContact CD1-CD2 4.08Å; Y407-Y411 AromaticContact CD1-CE2 3.76Å; Y407-Y411 HydrophobicContact CD1-CE2 3.76Å; Y407-Y411 HydrophobicContact CD2-CD2 4.37Å; Y407-Y411 AromaticContact CD2-CE2 3.8Å; Y407-Y411 HydrophobicContact CD2-CE2 3.91Å; Y407-Y411 AromaticContact CE1-CD2 3.69Å; Y407-Y411 HydrophobicContact CE1-CD2 4.07Å; Y407-Y411 AromaticContact CE1-CE2 3.38Å; Y407-Y411 HydrophobicContact CE1-CE2 3.38Å; Y407-Y411 AromaticContact CE1-CZ 3.8Å; Y407-Y411 HydrophobicContact CE2-CD2 4.29Å; Y407-Y411 AromaticContact CE2-CE2 3.55Å; Y407-Y411 HydrophobicContact CE2-CE2 3.55Å; Y407-Y411 HydrophobicContact CG-CD2 4.33Å; Y407-Y411 HydrophobicContact CG-CE2 4.01Å; Y407-Y411 AromaticContact CZ-CD2 3.97Å; Y407-Y411 AromaticContact CZ-CE2 3.27Å; Y407-Y411 AromaticContact CZ-CZ 3.69Å; Y407-Y411 VanDerWaalsContact CZ-CZ 3.43Å; Y407-Y411 VanDerWaalsContact O-CD2 3.25Å; Y407-Y411 WeakPolarHBondContact O-CD2 3.44Å; Y407-Y411 PolarHBondContact O-N 3.39Å; Y407-Y411 VanDerWaalsContact O-N 3.14Å; Y407-Y411 WeakPolarHBondContact OH-CE2 3.05Å; Y407-Y411 VanDerWaalsContact OH-CZ 3.24Å; Y407-Y411 PolarHBondContact OH-OH 3.2Å; Y411-T413 VanDerWaalsContact C-N 3.3Å; Y411-T413 PolarHBondContact O-N 3.14Å; Y411-G415 WeakPolarHBondContact O-CA 3.49Å; Y411-G415 PolarHBondContact O-N 2.78Å |
| 412 | C | 57.1 | Low | 71.4 | Confident | 72 Ų | 72 | 108.7 Ų | 108.7 | 49% | 0.486 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.7 | -37.4 | 174.1 | -127.8 | 0 | 0 | 0 | 0 | 111.9 | E408 K409 D410 R416 | E408-C412 WeakPolarHBondContact O-CB 3.28Å; E408-C412 PolarHBondContact O-N 3.17Å; E408-C412 VanDerWaalsContact O-N 3.07Å; K409-C412 PolarHBondContact O-N 2.98Å; D410-C412 VanDerWaalsContact C-N 3.34Å; D410-C412 PolarHBondContact O-N 3.08Å; C412-R416 WeakPolarHBondContact O-CB 3.35Å; C412-R416 VanDerWaalsContact O-CG 3.27Å; C412-R416 WeakPolarHBondContact O-CG 3.37Å; C412-R416 PolarHBondContact O-N 2.98Å; C412-R416 VanDerWaalsContact O-N 3.12Å |
| 413 | T | 58.2 | Low | 70.5 | Confident | 86 Ų | 86 | 109.4 Ų | 109.4 | 53% | 0.528 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.8 | -47.8 | 179.2 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | K409 D410 Y411 G415 R416 Y417 | K409-T413 WeakPolarHBondContact O-CB 3.21Å; K409-T413 PolarHBondContact O-N 3.07Å; K409-T413 PolarHBondContact O-OG1 3.12Å; D410-T413 PolarHBondContact O-N 3.09Å; D410-T413 VanDerWaalsContact O-N 3.15Å; Y411-T413 VanDerWaalsContact C-N 3.3Å; Y411-T413 PolarHBondContact O-N 3.14Å; T413-G415 VanDerWaalsContact C-N 3.33Å; T413-G415 PolarHBondContact O-N 3.46Å; T413-R416 PolarHBondContact O-N 3.35Å; T413-Y417 PolarHBondContact O-N 3.15Å; T413-Y417 VanDerWaalsContact O-N 3.1Å |
| 414 | V | 57.6 | Low | 69.8 | Low | 96 Ų | 96 | 106.3 Ų | 106.3 | 58% | 0.582 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.1 | -39.5 | 175.7 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | D410 Y417 L418 | D410-V414 WeakPolarHBondContact O-CG2 3.41Å; D410-V414 PolarHBondContact O-N 3.32Å; V414-Y417 PolarHBondContact O-N 2.88Å; V414-L418 WeakPolarHBondContact O-CB 3.49Å; V414-L418 PolarHBondContact O-N 3.09Å |
| 415 | G | 61.4 | Low | 69 | Low | 31.5 Ų | 31.5 | 105.7 Ų | 105.7 | 33% | 0.325 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y411 T413 Y417 L418 D419 | Y411-G415 WeakPolarHBondContact O-CA 3.49Å; Y411-G415 PolarHBondContact O-N 2.78Å; T413-G415 VanDerWaalsContact C-N 3.33Å; T413-G415 PolarHBondContact O-N 3.46Å; G415-Y417 VanDerWaalsContact C-N 3.33Å; G415-Y417 PolarHBondContact O-N 3.04Å; G415-L418 PolarHBondContact O-N 3.2Å; G415-D419 PolarHBondContact O-N 3.25Å |
| 416 | R | 59.4 | Low | 68.5 | Low | 194.5 Ų | 194.5 | 106.1 Ų | 106.1 | 73% | 0.734 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.2 | -41.4 | 174.6 | -74.4 | 177.8 | -173.2 | -151.7 | 2.5 | 112.1 | C412 T413 D419 H420 | C412-R416 WeakPolarHBondContact O-CB 3.35Å; C412-R416 VanDerWaalsContact O-CG 3.27Å; C412-R416 WeakPolarHBondContact O-CG 3.37Å; C412-R416 PolarHBondContact O-N 2.98Å; C412-R416 VanDerWaalsContact O-N 3.12Å; T413-R416 PolarHBondContact O-N 3.35Å; R416-D419 PolarHBondContact O-N 2.91Å; R416-H420 VanDerWaalsContact O-CB 3.3Å; R416-H420 WeakPolarHBondContact O-CB 3.41Å; R416-H420 PolarHBondContact O-N 3.16Å |
| 417 | Y | 56.3 | Low | 67.9 | Low | 167 Ų | 167 | 109.6 Ų | 109.6 | 66% | 0.655 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.7 | -42.5 | 175.8 | -174.3 | -92.7 | 0 | 0 | 0 | 112.1 | T413 V414 G415 D419 H420 T421 | T413-Y417 PolarHBondContact O-N 3.15Å; T413-Y417 VanDerWaalsContact O-N 3.1Å; V414-Y417 PolarHBondContact O-N 2.88Å; G415-Y417 VanDerWaalsContact C-N 3.33Å; G415-Y417 PolarHBondContact O-N 3.04Å; Y417-D419 PolarHBondContact O-N 2.9Å; Y417-H420 PolarHBondContact O-N 3.2Å; Y417-T421 HydrophobicContact CD1-CG2 4.19Å; Y417-T421 HydrophobicContact CE1-CG2 3.79Å; Y417-T421 WeakPolarHBondContact O-CG2 3.3Å; Y417-T421 PolarHBondContact O-N 3.19Å; Y417-T421 PolarHBondContact O-OG1 2.99Å |
| 418 | L | 67.4 | Low | 67.4 | Low | 93 Ų | 93 | 108.7 Ų | 108.7 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.9 | -37.7 | 179.2 | -158.1 | 75 | 0 | 0 | 0 | 112.2 | V414 G415 T421 K422 | V414-L418 WeakPolarHBondContact O-CB 3.49Å; V414-L418 PolarHBondContact O-N 3.09Å; G415-L418 PolarHBondContact O-N 3.2Å; L418-T421 WeakPolarHBondContact CA-OG1 3.39Å; L418-T421 PolarHBondContact O-OG1 3.2Å; L418-K422 WeakPolarHBondContact O-CB 3.2Å; L418-K422 VanDerWaalsContact O-CG 3.31Å; L418-K422 WeakPolarHBondContact O-CG 3.21Å; L418-K422 PolarHBondContact O-N 3.29Å; L418-K422 VanDerWaalsContact O-N 3.09Å |
| 419 | D | 69.6 | Low | 66.6 | Low | 89 Ų | 89 | 107.9 Ų | 107.9 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -76.1 | -33.2 | 176 | -77.6 | -11.7 | 0 | 0 | 0 | 112.8 | G415 R416 Y417 K422 T423 | G415-D419 PolarHBondContact O-N 3.25Å; R416-D419 PolarHBondContact O-N 2.91Å; Y417-D419 PolarHBondContact O-N 2.9Å; D419-K422 PolarHBondContact O-N 3.03Å; D419-K422 WeakPolarHBondContact OD1-CD 3.18Å; D419-K422 WeakPolarHBondContact OD1-CE 3.11Å; D419-K422 IonicContact OD1-NZ 2.74Å; D419-K422 PolarHBondContact OD1-NZ 3.2Å; D419-T423 VanDerWaalsContact O-CB 3.29Å; D419-T423 WeakPolarHBondContact O-CB 3.3Å; D419-T423 PolarHBondContact O-N 3.09Å; D419-T423 PolarHBondContact O-OG1 2.81Å |
| 420 | H | 67.7 | Low | 66.3 | Low | 118.5 Ų | 118.5 | 106.4 Ų | 106.4 | 55% | 0.549 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 171.3 | -168.8 | 75.8 | 0 | 0 | 0 | 111.4 | R416 Y417 T423 L424 | R416-H420 VanDerWaalsContact O-CB 3.3Å; R416-H420 WeakPolarHBondContact O-CB 3.41Å; R416-H420 PolarHBondContact O-N 3.16Å; Y417-H420 PolarHBondContact O-N 3.2Å; H420-T423 WeakPolarHBondContact O-CB 3.26Å; H420-T423 PolarHBondContact O-N 3.07Å; H420-L424 WeakPolarHBondContact O-CG 3.47Å; H420-L424 PolarHBondContact O-N 3.36Å |
| 421 | T | 66.7 | Low | 65.7 | Low | 37.5 Ų | 37.5 | 106.6 Ų | 106.6 | 23% | 0.23 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 177.3 | 50.5 | 0 | 0 | 0 | 0 | 112.9 | Y417 L418 T423 L424 N425 | Y417-T421 HydrophobicContact CD1-CG2 4.19Å; Y417-T421 HydrophobicContact CE1-CG2 3.79Å; Y417-T421 WeakPolarHBondContact O-CG2 3.3Å; Y417-T421 PolarHBondContact O-N 3.19Å; Y417-T421 PolarHBondContact O-OG1 2.99Å; L418-T421 WeakPolarHBondContact CA-OG1 3.39Å; L418-T421 PolarHBondContact O-OG1 3.2Å; T421-T423 VanDerWaalsContact C-N 3.31Å; T421-T423 PolarHBondContact O-N 3.31Å; T421-L424 PolarHBondContact O-N 3.06Å; T421-N425 WeakPolarHBondContact O-CB 3.37Å; T421-N425 PolarHBondContact O-N 3.17Å; T421-N425 PolarHBondContact O-ND2 3.18Å |
| 422 | K | 74.4 | Confident | 65.7 | Low | 115 Ų | 115 | 109.9 Ų | 109.9 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.4 | -44.5 | 168.7 | -73.7 | 171.6 | -159 | 157.6 | 0 | 111.6 | L418 D419 N425 K426 | L418-K422 WeakPolarHBondContact O-CB 3.2Å; L418-K422 VanDerWaalsContact O-CG 3.31Å; L418-K422 WeakPolarHBondContact O-CG 3.21Å; L418-K422 PolarHBondContact O-N 3.29Å; L418-K422 VanDerWaalsContact O-N 3.09Å; D419-K422 PolarHBondContact O-N 3.03Å; D419-K422 WeakPolarHBondContact OD1-CD 3.18Å; D419-K422 WeakPolarHBondContact OD1-CE 3.11Å; D419-K422 IonicContact OD1-NZ 2.74Å; D419-K422 PolarHBondContact OD1-NZ 3.2Å; K422-N425 PolarHBondContact O-N 3.17Å; K422-K426 WeakPolarHBondContact O-CB 3.45Å; K422-K426 PolarHBondContact O-N 3.36Å |
| 423 | T | 72.2 | Confident | 65.8 | Low | 86 Ų | 86 | 113.4 Ų | 113.4 | 53% | 0.528 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | -179.4 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | D419 H420 T421 N425 K426 R427 | D419-T423 VanDerWaalsContact O-CB 3.29Å; D419-T423 WeakPolarHBondContact O-CB 3.3Å; D419-T423 PolarHBondContact O-N 3.09Å; D419-T423 PolarHBondContact O-OG1 2.81Å; H420-T423 WeakPolarHBondContact O-CB 3.26Å; H420-T423 PolarHBondContact O-N 3.07Å; T421-T423 VanDerWaalsContact C-N 3.31Å; T421-T423 PolarHBondContact O-N 3.31Å; T423-N425 PolarHBondContact O-N 3.09Å; T423-K426 PolarHBondContact O-N 3.39Å; T423-R427 WeakPolarHBondContact O-CB 3.33Å; T423-R427 PolarHBondContact O-N 2.81Å |
| 424 | L | 73.6 | Confident | 65.4 | Low | 77.5 Ų | 77.5 | 112.9 Ų | 112.9 | 41% | 0.406 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.1 | -43 | 173.7 | -82 | 174 | 0 | 0 | 0 | 112.2 | H420 T421 R427 K428 | H420-L424 WeakPolarHBondContact O-CG 3.47Å; H420-L424 PolarHBondContact O-N 3.36Å; T421-L424 PolarHBondContact O-N 3.06Å; L424-R427 PolarHBondContact O-N 2.99Å; L424-K428 WeakPolarHBondContact O-CB 3.36Å; L424-K428 WeakPolarHBondContact O-CG 3.2Å; L424-K428 PolarHBondContact O-N 2.99Å |
| 425 | N | 71.1 | Confident | 64.9 | Low | 94.5 Ų | 94.5 | 113 Ų | 113 | 51% | 0.505 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.6 | -36.6 | 177.8 | -73.5 | -22.6 | 0 | 0 | 0 | 112.5 | T421 K422 T423 R427 K428 T429 | T421-N425 WeakPolarHBondContact O-CB 3.37Å; T421-N425 PolarHBondContact O-N 3.17Å; T421-N425 PolarHBondContact O-ND2 3.18Å; K422-N425 PolarHBondContact O-N 3.17Å; T423-N425 PolarHBondContact O-N 3.09Å; N425-R427 VanDerWaalsContact C-N 3.35Å; N425-K428 PolarHBondContact O-N 3.15Å; N425-T429 WeakPolarHBondContact O-CB 3.48Å; N425-T429 WeakPolarHBondContact O-CG2 3.43Å; N425-T429 PolarHBondContact O-N 3.14Å; N425-T429 PolarHBondContact O-OG1 3.21Å |
| 426 | K | 75.1 | Confident | 64.4 | Low | 149 Ų | 149 | 115.6 Ų | 115.6 | 65% | 0.648 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.7 | -39.9 | 172.4 | -157.4 | 175.9 | -175.1 | -177.2 | 0 | 111.4 | K422 T423 T429 L430 | K422-K426 WeakPolarHBondContact O-CB 3.45Å; K422-K426 PolarHBondContact O-N 3.36Å; T423-K426 PolarHBondContact O-N 3.39Å; K426-T429 WeakPolarHBondContact CA-OG1 3.3Å; K426-T429 PolarHBondContact O-N 2.99Å; K426-T429 PolarHBondContact O-OG1 3.32Å; K426-T429 VanDerWaalsContact O-OG1 3.09Å; K426-L430 HydrophobicContact CG-CD1 4.39Å; K426-L430 WeakPolarHBondContact O-CB 3.14Å; K426-L430 VanDerWaalsContact O-CG 3.28Å; K426-L430 WeakPolarHBondContact O-CG 3.4Å; K426-L430 PolarHBondContact O-N 3.1Å |
| 427 | R | 71.1 | Confident | 63.5 | Low | 177.5 Ų | 177.5 | 114.9 Ų | 114.9 | 67% | 0.67 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.3 | -41.9 | 175.8 | -154.1 | 168.9 | 177.5 | 126.3 | -2.1 | 112 | T423 L424 N425 T429 L430 L431 | T423-R427 WeakPolarHBondContact O-CB 3.33Å; T423-R427 PolarHBondContact O-N 2.81Å; L424-R427 PolarHBondContact O-N 2.99Å; N425-R427 VanDerWaalsContact C-N 3.35Å; R427-T429 PolarHBondContact O-N 3.09Å; R427-L430 PolarHBondContact O-N 3.12Å; R427-L431 HydrophobicContact CG-CD1 4.23Å; R427-L431 WeakPolarHBondContact O-CB 3.29Å; R427-L431 WeakPolarHBondContact O-CD1 3.43Å; R427-L431 VanDerWaalsContact O-CG 3.29Å; R427-L431 WeakPolarHBondContact O-CG 3.43Å; R427-L431 PolarHBondContact O-N 3.32Å |
| 428 | K | 71.1 | Confident | 62.6 | Low | 122.5 Ų | 122.5 | 110.3 Ų | 110.3 | 53% | 0.533 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.6 | -40.6 | 173.9 | -75.8 | 178.4 | 178.8 | 178.7 | 0 | 113 | L424 N425 R432 | L424-K428 WeakPolarHBondContact O-CB 3.36Å; L424-K428 WeakPolarHBondContact O-CG 3.2Å; L424-K428 PolarHBondContact O-N 2.99Å; N425-K428 PolarHBondContact O-N 3.15Å; K428-R432 PolarHBondContact O-N 2.96Å; K428-R432 VanDerWaalsContact O-N 3.09Å |
| 429 | T | 62.9 | Low | 60.9 | Low | 83 Ų | 83 | 110.8 Ų | 110.8 | 51% | 0.509 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -73.2 | -34.2 | 178.1 | 46.5 | 0 | 0 | 0 | 0 | 112.8 | N425 K426 R427 R432 K433 | N425-T429 WeakPolarHBondContact O-CB 3.48Å; N425-T429 WeakPolarHBondContact O-CG2 3.43Å; N425-T429 PolarHBondContact O-N 3.14Å; N425-T429 PolarHBondContact O-OG1 3.21Å; K426-T429 WeakPolarHBondContact CA-OG1 3.3Å; K426-T429 PolarHBondContact O-N 2.99Å; K426-T429 PolarHBondContact O-OG1 3.32Å; K426-T429 VanDerWaalsContact O-OG1 3.09Å; R427-T429 PolarHBondContact O-N 3.09Å; T429-R432 PolarHBondContact O-N 3.01Å; T429-K433 WeakPolarHBondContact O-CG 3.5Å; T429-K433 PolarHBondContact O-N 2.88Å; T429-K433 VanDerWaalsContact O-N 3.14Å |
| 430 | L | 68.6 | Low | 59.4 | Low | 105 Ų | 105 | 112.5 Ų | 112.5 | 55% | 0.55 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.5 | -45.3 | 170.6 | -73.3 | 166.7 | 0 | 0 | 0 | 111.8 | K426 R427 R432 K433 S434 | K426-L430 HydrophobicContact CG-CD1 4.39Å; K426-L430 WeakPolarHBondContact O-CB 3.14Å; K426-L430 VanDerWaalsContact O-CG 3.28Å; K426-L430 WeakPolarHBondContact O-CG 3.4Å; K426-L430 PolarHBondContact O-N 3.1Å; R427-L430 PolarHBondContact O-N 3.12Å; L430-R432 VanDerWaalsContact C-N 3.3Å; L430-R432 PolarHBondContact O-N 3.07Å; L430-K433 WeakPolarHBondContact O-CB 3.49Å; L430-K433 PolarHBondContact O-N 3.06Å; L430-K433 VanDerWaalsContact O-N 3.1Å; L430-S434 PolarHBondContact O-N 3.14Å; L430-S434 VanDerWaalsContact O-N 3.09Å; L430-S434 PolarHBondContact O-OG 3.32Å |
| 431 | L | 59.4 | Low | 57.8 | Low | 103 Ų | 103 | 114.3 Ų | 114.3 | 54% | 0.539 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -56 | -43.9 | 174.5 | -80.8 | 159.6 | 0 | 0 | 0 | 111.8 | R427 K433 S434 S435 | R427-L431 HydrophobicContact CG-CD1 4.23Å; R427-L431 WeakPolarHBondContact O-CB 3.29Å; R427-L431 WeakPolarHBondContact O-CD1 3.43Å; R427-L431 VanDerWaalsContact O-CG 3.29Å; R427-L431 WeakPolarHBondContact O-CG 3.43Å; R427-L431 PolarHBondContact O-N 3.32Å; L431-K433 VanDerWaalsContact C-N 3.33Å; L431-K433 PolarHBondContact O-N 2.89Å; L431-S434 WeakPolarHBondContact CA-OG 3.36Å; L431-S434 PolarHBondContact O-N 3.16Å; L431-S434 PolarHBondContact O-OG 3.17Å; L431-S435 PolarHBondContact O-N 3.21Å; L431-S435 VanDerWaalsContact O-N 3.15Å; L431-S435 PolarHBondContact O-OG 3.31Å |
| 432 | R | 58.9 | Low | 56.1 | Low | 209 Ų | 209 | 120.1 Ų | 120.1 | 79% | 0.789 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.3 | -31.1 | 175.8 | -129.1 | -179.9 | 178 | -178.4 | -0.2 | 113.3 | K428 T429 L430 S435 S436 | K428-R432 PolarHBondContact O-N 2.96Å; K428-R432 VanDerWaalsContact O-N 3.09Å; T429-R432 PolarHBondContact O-N 3.01Å; L430-R432 VanDerWaalsContact C-N 3.3Å; L430-R432 PolarHBondContact O-N 3.07Å; R432-S435 PolarHBondContact O-N 3.23Å; R432-S436 PolarHBondContact O-N 3.5Å; R432-S436 PolarHBondContact O-OG 3.43Å |
| 433 | K | 59.2 | Low | 54.1 | Low | 145.5 Ų | 145.5 | 122.5 Ų | 122.5 | 63% | 0.633 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -75.3 | -42.4 | 175.7 | -72.4 | -177 | 176.1 | -169.1 | 0 | 112.3 | T429 L430 L431 S435 S436 | T429-K433 WeakPolarHBondContact O-CG 3.5Å; T429-K433 PolarHBondContact O-N 2.88Å; T429-K433 VanDerWaalsContact O-N 3.14Å; L430-K433 WeakPolarHBondContact O-CB 3.49Å; L430-K433 PolarHBondContact O-N 3.06Å; L430-K433 VanDerWaalsContact O-N 3.1Å; L431-K433 VanDerWaalsContact C-N 3.33Å; L431-K433 PolarHBondContact O-N 2.89Å; K433-S435 VanDerWaalsContact C-N 3.26Å; K433-S435 PolarHBondContact O-N 3Å; K433-S436 PolarHBondContact O-N 3.12Å; K433-S436 VanDerWaalsContact O-N 3.14Å; K433-S436 PolarHBondContact O-OG 3.2Å |
| 434 | S | 50.1 | Low | 52.2 | Low | 75.5 Ų | 75.5 | 122 Ų | 122 | 53% | 0.528 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -64.1 | -30.7 | 175.9 | 43.3 | 0 | 0 | 0 | 0 | 112.9 | L430 L431 S436 | L430-S434 PolarHBondContact O-N 3.14Å; L430-S434 VanDerWaalsContact O-N 3.09Å; L430-S434 PolarHBondContact O-OG 3.32Å; L431-S434 WeakPolarHBondContact CA-OG 3.36Å; L431-S434 PolarHBondContact O-N 3.16Å; L431-S434 PolarHBondContact O-OG 3.17Å; S434-S436 PolarHBondContact O-N 3.27Å |
| 435 | S | 47.3 | Very low | 50.2 | Low | 99.5 Ų | 99.5 | 128.8 Ų | 128.8 | 70% | 0.696 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -76.2 | -9.8 | 176.2 | -59.1 | 0 | 0 | 0 | 0 | 114.5 | L431 R432 K433 | L431-S435 PolarHBondContact O-N 3.21Å; L431-S435 VanDerWaalsContact O-N 3.15Å; L431-S435 PolarHBondContact O-OG 3.31Å; R432-S435 PolarHBondContact O-N 3.23Å; K433-S435 VanDerWaalsContact C-N 3.26Å; K433-S435 PolarHBondContact O-N 3Å |
| 436 | S | 49.5 | Very low | 48.2 | Very low | 85 Ų | 85 | 129.3 Ų | 129.3 | 59% | 0.594 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -93.3 | -6.7 | 176.5 | 41.1 | 0 | 0 | 0 | 0 | 114.9 | R432 K433 S434 G438 | R432-S436 PolarHBondContact O-N 3.5Å; R432-S436 PolarHBondContact O-OG 3.43Å; K433-S436 PolarHBondContact O-N 3.12Å; K433-S436 VanDerWaalsContact O-N 3.14Å; K433-S436 PolarHBondContact O-OG 3.2Å; S434-S436 PolarHBondContact O-N 3.27Å; S436-G438 PolarHBondContact O-N 2.98Å |
| 437 | E | 42.4 | Very low | 46.1 | Very low | 179.5 Ų | 179.5 | 129.8 Ų | 129.8 | 84% | 0.839 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 30.8 | 179.2 | -69.4 | -179.1 | -176.6 | 0 | 0 | 112.2 | ||
| 438 | G | 36.8 | Very low | 44.3 | Very low | 71 Ų | 71 | 128 Ų | 128 | 73% | 0.732 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.6 | 46.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S436 | S436-G438 PolarHBondContact O-N 2.98Š|
| 439 | S | 32.1 | Very low | 42.3 | Very low | 103.5 Ų | 103.5 | 130.2 Ų | 130.2 | 72% | 0.724 | 72% | 0.72 | S | S | * | * | trans | -117.3 | 127.3 | 173.4 | 59 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 440 | V | 36.6 | Very low | 40.8 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 11.5 | 129.9 | 169.7 | -171.1 | 0 | 0 | 0 | 0 | 111.2 | ||
| 441 | Q | 34.3 | Very low | 39 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | trans | 57.7 | 113.3 | 170.2 | -81.4 | 97.3 | -27.7 | 0 | 0 | 117.6 | ||||
| 442 | D | 32.1 | Very low | 37.6 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | -158.6 | 149.3 | 67.3 | -101.7 | -33.3 | 0 | 0 | 0 | 112.8 | A444 | D442-A444 PolarHBondContact O-N 2.97Š| |||
| 443 | N | 31.3 | Very low | 36.1 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | trans | -77.1 | 132.3 | 178.1 | -75.7 | -40.7 | 0 | 0 | 0 | 112 | ||||
| 444 | A | 32.8 | Very low | 34.8 | Very low | 77 Ų | 77 | 135 Ų | 135 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 150 | -5.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | D442 S446 | D442-A444 PolarHBondContact O-N 2.97Å; A444-S446 PolarHBondContact O-N 2.7Å; A444-S446 VanDerWaalsContact O-N 3.16Å |
| 445 | F | 32.2 | Very low | 33.7 | Very low | 219.5 Ų | 219.5 | 140.6 Ų | 140.6 | 96% | 0.963 | 78% | 0.783 | S | S | * | * | trans | -117.6 | 60.6 | 173.5 | -74.4 | -78.7 | 0 | 0 | 0 | 113.3 | ||||
| 446 | S | 29.3 | Very low | 32.9 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -129.3 | 54.2 | 169.9 | -169.6 | 0 | 0 | 0 | 0 | 111 | A444 | A444-S446 PolarHBondContact O-N 2.7Å; A444-S446 VanDerWaalsContact O-N 3.16Å | ||
| 447 | N | 29.5 | Very low | 32 | Very low | 160.5 Ų | 160.5 | 149.7 Ų | 149.7 | 86% | 0.858 | 80% | 0.802 | S | S | * | * | trans | -143.8 | 94.2 | 173.8 | -80.4 | -35.5 | 0 | 0 | 0 | 109.6 | ||||
| 448 | N | 33 | Very low | 31.2 | Very low | 140 Ų | 140 | 151.9 Ų | 151.9 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | trans | 148.2 | 54.6 | 165.7 | -113.2 | -5.9 | 0 | 0 | 0 | 117.4 | ||||
| 449 | M | 30.9 | Very low | 30.7 | Very low | 168 Ų | 168 | 154.6 Ų | 154.6 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | trans | -133.4 | 13.3 | 163.3 | -92.4 | -64.3 | 165.1 | 0 | 0 | 114.1 | ||||
| 450 | N | 30.3 | Very low | 30.5 | Very low | 149.5 Ų | 149.5 | 157.4 Ų | 157.4 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -106.8 | 37.6 | -172.1 | -70.6 | -4.1 | 0 | 0 | 0 | 113.5 | ||||
| 451 | E | 31.5 | Very low | 29.9 | Very low | 169 Ų | 169 | 160.3 Ų | 160.3 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -123.5 | 35.7 | 179.1 | -148.7 | 170.4 | -147.7 | 0 | 0 | 113.2 | R620 | E451-R620 IonicContact OE2-NH2 3.55Š|
| 452 | C | 30 | Very low | 29.4 | Very low | 121.5 Ų | 121.5 | 158.6 Ų | 158.6 | 82% | 0.821 | 82% | 0.82 | S | S | * | * | trans | -142.7 | 51.3 | 169.7 | -167.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 453 | L | 27.9 | Very low | 29.1 | Very low | 167.5 Ų | 167.5 | 159.6 Ų | 159.6 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | trans | -126 | 61.4 | 174.9 | -98.6 | 170.7 | 0 | 0 | 0 | 110.3 | ||||
| 454 | D | 30 | Very low | 28.9 | Very low | 138 Ų | 138 | 157.5 Ų | 157.5 | 74% | 0.738 | 82% | 0.818 | S | S | * | * | trans | -149.2 | 96.3 | 163.1 | -149.2 | 8.9 | 0 | 0 | 0 | 113.4 | K456 | D454-K456 VanDerWaalsContact C-N 3.29Å; D454-K456 PolarHBondContact O-N 2.96Å | ||
| 455 | F | 28.7 | Very low | 28.6 | Very low | 193 Ų | 193 | 158.1 Ų | 158.1 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | -16.2 | 57.1 | 179.8 | -98.9 | -88.9 | 0 | 0 | 0 | 112.9 | ||||
| 456 | K | 30.7 | Very low | 28.4 | Very low | 199.5 Ų | 199.5 | 157.1 Ų | 157.1 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | trans | -120.3 | 7.5 | 164.6 | -142 | -170.4 | 176.7 | -172.2 | 0 | 115.2 | D454 | D454-K456 VanDerWaalsContact C-N 3.29Å; D454-K456 PolarHBondContact O-N 2.96Å | ||
| 457 | E | 29.6 | Very low | 28.4 | Very low | 176 Ų | 176 | 163.3 Ų | 163.3 | 82% | 0.822 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -126.3 | 40.9 | -173.5 | -137.6 | 170.4 | -146.9 | 0 | 0 | 115.4 | ||
| 458 | R | 25.3 | Very low | 28.3 | Very low | 227 Ų | 227 | 164 Ų | 164 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -142.3 | 27.6 | 167.1 | -100.8 | 179.8 | -116.9 | -135.5 | 4.6 | 116 | ||
| 459 | T | 26.6 | Very low | 28.2 | Very low | 127 Ų | 127 | 165.4 Ų | 165.4 | 78% | 0.779 | 83% | 0.825 | S | S | * | * | trans | -104.7 | 0.4 | 177.3 | -40.7 | 0 | 0 | 0 | 0 | 113.5 | Q461 | T459-Q461 VanDerWaalsContact C-N 3.34Å; T459-Q461 PolarHBondContact O-N 2.88Å | ||
| 460 | L | 26.9 | Very low | 28.1 | Very low | 161.5 Ų | 161.5 | 164 Ų | 164 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -90.1 | 23.3 | 178.5 | -74.5 | 175.5 | 0 | 0 | 0 | 114.8 | ||||
| 461 | Q | 25.6 | Very low | 28.3 | Very low | 186.5 Ų | 186.5 | 163 Ų | 163 | 87% | 0.871 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -128.2 | 33.5 | 173.3 | -86.7 | -175.6 | -21.5 | 0 | 0 | 114 | T459 | T459-Q461 VanDerWaalsContact C-N 3.34Å; T459-Q461 PolarHBondContact O-N 2.88Å |
| 462 | C | 23.6 | Very low | 28.1 | Very low | 121 Ų | 121 | 160.3 Ų | 160.3 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -128 | 23.6 | 166.8 | -92.3 | 0 | 0 | 0 | 0 | 113.8 | S464 | C462-S464 VanDerWaalsContact C-N 3.25Å; C462-S464 PolarHBondContact O-N 3.06Å | ||
| 463 | E | 25.9 | Very low | 28.2 | Very low | 180 Ų | 180 | 160.7 Ų | 160.7 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | -88.2 | 40.5 | 177.6 | -144.9 | 174.9 | -167.1 | 0 | 0 | 113.3 | ||||
| 464 | S | 26 | Very low | 28.6 | Very low | 121 Ų | 121 | 157.5 Ų | 157.5 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -148.1 | 56.8 | 174.8 | -73.2 | 0 | 0 | 0 | 0 | 112.7 | C462 | C462-S464 VanDerWaalsContact C-N 3.25Å; C462-S464 PolarHBondContact O-N 3.06Å | ||
| 465 | A | 28.2 | Very low | 28.5 | Very low | 89.5 Ų | 89.5 | 156.9 Ų | 156.9 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | trans | -134.5 | 69.6 | 163 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y467 | A465-Y467 PolarHBondContact O-N 3.17Å; A465-Y467 VanDerWaalsContact O-N 3.1Å | ||
| 466 | K | 26.4 | Very low | 28.6 | Very low | 198.5 Ų | 198.5 | 152.5 Ų | 152.5 | 86% | 0.863 | 77% | 0.772 | S | S | * | * | trans | -68 | 108 | 163.3 | -78.4 | -178.7 | 178.1 | 176.2 | 0 | 108.3 | Q468 | K466-Q468 PolarHBondContact O-N 3.11Š| ||
| 467 | Y | 29 | Very low | 28.8 | Very low | 234 Ų | 234 | 148 Ų | 148 | 92% | 0.918 | 76% | 0.762 | S | S | * | * | trans | -92.4 | 114.8 | 166.7 | -91.4 | -92.3 | 0 | 0 | 0 | 110.3 | A465 | A465-Y467 PolarHBondContact O-N 3.17Å; A465-Y467 VanDerWaalsContact O-N 3.1Å | ||
| 468 | Q | 27.3 | Very low | 28.8 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | trans | -77.9 | 135.4 | 173.6 | -77.8 | 169.6 | -61.1 | 0 | 0 | 109.5 | K466 D470 | K466-Q468 PolarHBondContact O-N 3.11Å; Q468-D470 PolarHBondContact O-N 3.06Å; Q468-D470 VanDerWaalsContact O-N 3.13Å | ||
| 469 | K | 31.6 | Very low | 28.9 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 74% | 0.735 | 75% | 0.746 | S | S | * | * | trans | -98.1 | 15.3 | -170.3 | -163.6 | 116.9 | 176 | 129.8 | 0 | 113.3 | N471 | K469-N471 PolarHBondContact O-N 3.45Š| ||
| 470 | D | 29.8 | Very low | 29 | Very low | 138 Ų | 138 | 140 Ų | 140 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | trans | -94.7 | 50.7 | -166 | -57.2 | -31.7 | 0 | 0 | 0 | 113.5 | Q468 | Q468-D470 PolarHBondContact O-N 3.06Å; Q468-D470 VanDerWaalsContact O-N 3.13Å | ||
| 471 | N | 32.8 | Very low | 29.1 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | trans | -138.2 | 18.4 | 173.6 | -132.7 | -9 | 0 | 0 | 0 | 116 | K469 D473 T474 | K469-N471 PolarHBondContact O-N 3.45Å; N471-D473 VanDerWaalsContact C-N 3.31Å; N471-T474 PolarHBondContact OD1-OG1 3.4Å; N471-T474 VanDerWaalsContact OD1-OG1 3.1Å | ||
| 472 | I | 28.3 | Very low | 29 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 57% | 0.574 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -86.2 | -23.8 | 179.7 | -63.4 | -177.7 | 0 | 0 | 0 | 112.6 | T474 L475 T476 | I472-T474 VanDerWaalsContact C-N 3.3Å; I472-T474 PolarHBondContact O-N 3.3Å; I472-L475 PolarHBondContact O-N 2.63Å; I472-T476 PolarHBondContact O-OG1 2.74Å |
| 473 | D | 32.6 | Very low | 29.1 | Very low | 131 Ų | 131 | 138.8 Ų | 138.8 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -72.4 | -20.2 | -175.9 | -70.1 | -24.4 | 0 | 0 | 0 | 114.4 | N471 L475 T477 | N471-D473 VanDerWaalsContact C-N 3.31Å; D473-L475 VanDerWaalsContact C-N 3.3Å; D473-L475 PolarHBondContact O-N 3.3Å; D473-T477 PolarHBondContact O-N 2.74Å; D473-T477 PolarHBondContact O-OG1 3.26Å; D473-T477 VanDerWaalsContact O-OG1 3.09Å |
| 474 | T | 35.7 | Very low | 29 | Very low | 99.5 Ų | 99.5 | 138.5 Ų | 138.5 | 61% | 0.61 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -71.8 | -33.1 | 179.7 | -41.1 | 0 | 0 | 0 | 0 | 112.4 | N471 I472 T477 S478 | N471-T474 PolarHBondContact OD1-OG1 3.4Å; N471-T474 VanDerWaalsContact OD1-OG1 3.1Å; I472-T474 VanDerWaalsContact C-N 3.3Å; I472-T474 PolarHBondContact O-N 3.3Å; T474-T477 PolarHBondContact O-N 3.27Å; T474-S478 PolarHBondContact O-N 3.46Å |
| 475 | L | 27.1 | Very low | 28.9 | Very low | 126.5 Ų | 126.5 | 138 Ų | 138 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -75 | -34 | -178.7 | -115.7 | 118.6 | 0 | 0 | 0 | 112.4 | I472 D473 T477 S478 Y479 | I472-L475 PolarHBondContact O-N 2.63Å; D473-L475 VanDerWaalsContact C-N 3.3Å; D473-L475 PolarHBondContact O-N 3.3Å; L475-T477 VanDerWaalsContact C-N 3.29Å; L475-T477 PolarHBondContact O-N 2.87Å; L475-S478 PolarHBondContact O-N 3.44Å; L475-S478 PolarHBondContact O-OG 2.82Å; L475-Y479 PolarHBondContact O-N 2.99Å |
| 476 | T | 32.4 | Very low | 28.6 | Very low | 100.5 Ų | 100.5 | 143.5 Ų | 143.5 | 62% | 0.617 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -64.4 | -32 | 179.3 | -52.8 | 0 | 0 | 0 | 0 | 112.4 | I472 | I472-T476 PolarHBondContact O-OG1 2.74Å |
| 477 | T | 33.8 | Very low | 28.4 | Very low | 105.5 Ų | 105.5 | 142.6 Ų | 142.6 | 65% | 0.647 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -23.3 | -176.9 | -53.9 | 0 | 0 | 0 | 0 | 113.3 | D473 T474 L475 | D473-T477 PolarHBondContact O-N 2.74Å; D473-T477 PolarHBondContact O-OG1 3.26Å; D473-T477 VanDerWaalsContact O-OG1 3.09Å; T474-T477 PolarHBondContact O-N 3.27Å; L475-T477 VanDerWaalsContact C-N 3.29Å; L475-T477 PolarHBondContact O-N 2.87Å |
| 478 | S | 30.6 | Very low | 28.2 | Very low | 81.5 Ų | 81.5 | 137.9 Ų | 137.9 | 57% | 0.57 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -74.6 | -37.2 | -177.7 | 138.5 | 0 | 0 | 0 | 0 | 113.4 | T474 L475 A480 K481 | T474-S478 PolarHBondContact O-N 3.46Å; L475-S478 PolarHBondContact O-N 3.44Å; L475-S478 PolarHBondContact O-OG 2.82Å; S478-A480 VanDerWaalsContact C-N 3.3Å; S478-A480 PolarHBondContact O-N 3.11Å; S478-K481 PolarHBondContact O-N 3.3Å |
| 479 | Y | 25.8 | Very low | 27.9 | Very low | 199.5 Ų | 199.5 | 136.9 Ų | 136.9 | 78% | 0.782 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -77.4 | -8.8 | -175.7 | -89.2 | -83 | 0 | 0 | 0 | 114.6 | L475 K481 | L475-Y479 PolarHBondContact O-N 2.99Å; Y479-K481 VanDerWaalsContact C-N 3.29Å; Y479-K481 PolarHBondContact O-N 2.92Å |
| 480 | A | 28.7 | Very low | 27.4 | Very low | 81 Ų | 81 | 135.1 Ų | 135.1 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 0.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | S478 | S478-A480 VanDerWaalsContact C-N 3.3Å; S478-A480 PolarHBondContact O-N 3.11Å |
| 481 | K | 29.6 | Very low | 27.2 | Very low | 192.5 Ų | 192.5 | 134.1 Ų | 134.1 | 84% | 0.837 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 36.5 | -177.8 | -80.2 | -174.9 | 177.8 | 177.2 | 0 | 115.1 | S478 Y479 | S478-K481 PolarHBondContact O-N 3.3Å; Y479-K481 VanDerWaalsContact C-N 3.29Å; Y479-K481 PolarHBondContact O-N 2.92Å |
| 482 | C | 24 | Very low | 26.7 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -128.5 | 77.9 | 167.8 | -123.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 483 | V | 24.7 | Very low | 26.7 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | trans | 149.5 | 100.7 | 173.3 | -167.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 484 | Q | 25.1 | Very low | 26.2 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | -100.8 | 136.6 | 166.3 | -81.1 | -138.3 | -21.6 | 0 | 0 | 109.5 | F486 | Q484-F486 PolarHBondContact O-N 2.9Š| ||
| 485 | P | 24.3 | Very low | 25.6 | Very low | 110.5 Ų | 110.5 | 142.9 Ų | 142.9 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | trans | -76.2 | 128.6 | -178.3 | 29 | -32.5 | 0 | 0 | 0 | 111.7 | Q487 | P485-Q487 PolarHBondContact O-N 3.28Š| ||
| 486 | F | 21.6 | Very low | 25.4 | Very low | 205 Ų | 205 | 143.3 Ų | 143.3 | 90% | 0.899 | 77% | 0.765 | S | S | * | * | trans | -70.1 | 128.3 | 170.1 | -90 | -95.3 | 0 | 0 | 0 | 110.9 | Q484 T488 | Q484-F486 PolarHBondContact O-N 2.9Å; F486-T488 PolarHBondContact O-N 3.18Å | ||
| 487 | Q | 22 | Very low | 24.9 | Very low | 178.5 Ų | 178.5 | 149.2 Ų | 149.2 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -96 | 116.5 | 173.7 | -65.1 | 178.5 | -4.3 | 0 | 0 | 110 | P485 Q489 | P485-Q487 PolarHBondContact O-N 3.28Å; Q487-Q489 PolarHBondContact O-N 3.01Å | ||
| 488 | T | 23.8 | Very low | 24.2 | Very low | 134.5 Ų | 134.5 | 148.6 Ų | 148.6 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -128.2 | 106 | 163.5 | 26.6 | 0 | 0 | 0 | 0 | 107.3 | F486 | F486-T488 PolarHBondContact O-N 3.18Š| ||
| 489 | Q | 21.9 | Very low | 23.9 | Very low | 156.5 Ų | 156.5 | 152.3 Ų | 152.3 | 73% | 0.731 | 79% | 0.786 | S | S | * | * | 0.2 | 112.9 | 118 | -72.2 | -111.7 | -24.5 | 0 | 0 | 112 | Q487 | Q487-Q489 PolarHBondContact O-N 3.01Š| |||
| 490 | N | 21.9 | Very low | 23.8 | Very low | 132.5 Ų | 132.5 | 151.1 Ų | 151.1 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | trans | 64.4 | 137.2 | 138.4 | -58.1 | -21.6 | 0 | 0 | 0 | 120.2 | ||||
| 491 | S | 24.9 | Very low | 23.6 | Very low | 116 Ų | 116 | 157.4 Ų | 157.4 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | 117.1 | 125.1 | 138.4 | 40.4 | 0 | 0 | 0 | 0 | 114.5 | D493 | S491-D493 PolarHBondContact O-N 2.78Š| ||
| 492 | D | 22.6 | Very low | 23.3 | Very low | 148.5 Ų | 148.5 | 156.2 Ų | 156.2 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -53.5 | 132.9 | 168.1 | -54.1 | -92.2 | 0 | 0 | 0 | 113.2 | ||||
| 493 | D | 28.1 | Very low | 23.4 | Very low | 159 Ų | 159 | 154 Ų | 154 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | -144 | 109.3 | 149 | -110.3 | -30.9 | 0 | 0 | 0 | 110.8 | S491 I495 | S491-D493 PolarHBondContact O-N 2.78Å; D493-I495 PolarHBondContact O-N 2.83Å | ||
| 494 | K | 21.8 | Very low | 23.6 | Very low | 199 Ų | 199 | 155.5 Ų | 155.5 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | trans | -77.1 | 103 | 177.4 | -76.3 | 174.1 | 175.8 | 170.1 | 0 | 110.4 | ||||
| 495 | I | 23.3 | Very low | 23.6 | Very low | 148.5 Ų | 148.5 | 154.1 Ų | 154.1 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -105.7 | 112.6 | 160.5 | -62.2 | -179.5 | 0 | 0 | 0 | 109.1 | D493 Y497 | D493-I495 PolarHBondContact O-N 2.83Å; I495-Y497 HydrophobicContact CG2-CD2 4.23Å; I495-Y497 PolarHBondContact O-N 2.85Å | ||
| 496 | N | 21.9 | Very low | 23.7 | Very low | 136 Ų | 136 | 157.6 Ų | 157.6 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -75.4 | 117.7 | 179.4 | -128.7 | -16.6 | 0 | 0 | 0 | 110.6 | ||||
| 497 | Y | 21.9 | Very low | 24 | Very low | 224 Ų | 224 | 156.2 Ų | 156.2 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -121.3 | 87.1 | 160.1 | -105.6 | -83.6 | 0 | 0 | 0 | 109.8 | I495 | I495-Y497 HydrophobicContact CG2-CD2 4.23Å; I495-Y497 PolarHBondContact O-N 2.85Å | ||
| 498 | S | 20.2 | Very low | 24.3 | Very low | 92 Ų | 92 | 156.5 Ų | 156.5 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | trans | -113 | 96.8 | 173.7 | 55.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 499 | Q | 24.4 | Very low | 24.6 | Very low | 159.5 Ų | 159.5 | 158.1 Ų | 158.1 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | trans | -144 | 113.6 | 162.8 | -100.2 | -172.5 | 6.9 | 0 | 0 | 112.1 | ||||
| 500 | K | 24.1 | Very low | 24.9 | Very low | 174.5 Ų | 174.5 | 155.5 Ų | 155.5 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | 49.9 | 96.9 | 138.9 | -63.3 | 173.1 | 178.5 | 170.3 | 0 | 118.1 | ||||
| 501 | F | 22.8 | Very low | 25.1 | Very low | 214 Ų | 214 | 154.3 Ų | 154.3 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | trans | -137.8 | 83.4 | 134.9 | -89.3 | -78.2 | 0 | 0 | 0 | 109.4 | ||||
| 502 | N | 24.7 | Very low | 25.3 | Very low | 167 Ų | 167 | 156.6 Ų | 156.6 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | -104.7 | 115.4 | 163.9 | -84.1 | 13 | 0 | 0 | 0 | 107.5 | ||||
| 503 | G | 26.3 | Very low | 25.6 | Very low | 74 Ų | 74 | 157.2 Ų | 157.2 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -162.3 | 75.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 504 | H | 27.4 | Very low | 25.5 | Very low | 163 Ų | 163 | 156.7 Ų | 156.7 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -20.5 | 121.7 | 165.6 | -84.6 | -75.5 | 0 | 0 | 0 | 116.4 | Q506 | H504-Q506 PolarHBondContact O-N 2.83Š| ||
| 505 | D | 26.3 | Very low | 25.8 | Very low | 144.5 Ų | 144.5 | 152.4 Ų | 152.4 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | 34.1 | 81 | 123.5 | -55 | -37.2 | 0 | 0 | 0 | 117.5 | |||||
| 506 | Q | 27 | Very low | 26 | Very low | 184 Ų | 184 | 152.3 Ų | 152.3 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -137.1 | 28.3 | 158.6 | -91.3 | -176 | 10.2 | 0 | 0 | 113.5 | H504 | H504-Q506 PolarHBondContact O-N 2.83Š| ||
| 507 | Q | 26.5 | Very low | 26.3 | Very low | 175 Ų | 175 | 152.5 Ų | 152.5 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | 5.8 | -178.2 | -79.7 | -173.9 | -21.8 | 0 | 0 | 116 | Q509 | Q507-Q509 VanDerWaalsContact C-N 3.33Å; Q507-Q509 PolarHBondContact O-N 3.19Å |
| 508 | Q | 27.9 | Very low | 26.6 | Very low | 184 Ų | 184 | 151.2 Ų | 151.2 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -5.5 | 176.6 | -86.6 | -175.1 | -12.3 | 0 | 0 | 115.8 | ||
| 509 | Q | 30.2 | Very low | 27 | Very low | 169 Ų | 169 | 151.4 Ų | 151.4 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -11.8 | 179.4 | -80 | -173.1 | -17.2 | 0 | 0 | 115.6 | Q507 C511 | Q507-Q509 VanDerWaalsContact C-N 3.33Å; Q507-Q509 PolarHBondContact O-N 3.19Å; Q509-C511 VanDerWaalsContact C-N 3.3Å; Q509-C511 PolarHBondContact O-N 2.88Å |
| 510 | T | 29.1 | Very low | 27.1 | Very low | 100.5 Ų | 100.5 | 149.4 Ų | 149.4 | 62% | 0.617 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -21.8 | 179.5 | -31.9 | 0 | 0 | 0 | 0 | 113 | Q512 Q513 | T510-Q512 PolarHBondContact O-N 2.91Å; T510-Q513 PolarHBondContact O-N 2.92Å |
| 511 | C | 24.8 | Very low | 27.3 | Very low | 109 Ų | 109 | 148.4 Ų | 148.4 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -4.7 | -178.6 | -66.6 | 0 | 0 | 0 | 0 | 114.3 | Q509 | Q509-C511 VanDerWaalsContact C-N 3.3Å; Q509-C511 PolarHBondContact O-N 2.88Å |
| 512 | Q | 29.4 | Very low | 27.6 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | -0.7 | -176 | -135.9 | 166.2 | 3.1 | 0 | 0 | 114.2 | T510 | T510-Q512 PolarHBondContact O-N 2.91Š|
| 513 | Q | 29.3 | Very low | 28.1 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 1.6 | 176.4 | -74.7 | -171 | -19.6 | 0 | 0 | 114.5 | T510 | T510-Q513 PolarHBondContact O-N 2.92Š|
| 514 | L | 27.2 | Very low | 28.6 | Very low | 147.5 Ų | 147.5 | 143.3 Ų | 143.3 | 77% | 0.772 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -97.3 | -7.9 | 176.3 | -71.4 | 174.2 | 0 | 0 | 0 | 114 | D516 | L514-D516 PolarHBondContact O-N 3.46Š|
| 515 | C | 27.1 | Very low | 29 | Very low | 108.5 Ų | 108.5 | 143.4 Ų | 143.4 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -93.9 | 29 | 177.3 | -72.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 516 | D | 27.5 | Very low | 29.6 | Very low | 146.5 Ų | 146.5 | 139.1 Ų | 139.1 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -133.3 | -6 | 174.2 | -88.5 | -22.8 | 0 | 0 | 0 | 114.8 | L514 Q518 | L514-D516 PolarHBondContact O-N 3.46Å; D516-Q518 PolarHBondContact O-N 3.01Å |
| 517 | N | 28.3 | Very low | 30.3 | Very low | 141 Ų | 141 | 133.9 Ų | 133.9 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | trans | -91.2 | 38.7 | 177.5 | -73.4 | -24.8 | 0 | 0 | 0 | 113.8 | S519 | N517-S519 PolarHBondContact O-N 3.4Å; N517-S519 VanDerWaalsContact O-N 3.07Å | ||
| 518 | Q | 27.5 | Very low | 31 | Very low | 196 Ų | 196 | 132.2 Ų | 132.2 | 92% | 0.916 | 72% | 0.718 | S | S | * | * | trans | -78 | 56.9 | 164.6 | -76.8 | -164.2 | -12.9 | 0 | 0 | 111.5 | D516 S520 | D516-Q518 PolarHBondContact O-N 3.01Å; Q518-S520 PolarHBondContact O-N 2.91Å | ||
| 519 | S | 29.6 | Very low | 31.8 | Very low | 96.5 Ų | 96.5 | 127.4 Ų | 127.4 | 68% | 0.675 | 70% | 0.702 | S | S | * | * | trans | -118.6 | 117 | 163.3 | 51.7 | 0 | 0 | 0 | 0 | 109.3 | N517 L521 | N517-S519 PolarHBondContact O-N 3.4Å; N517-S519 VanDerWaalsContact O-N 3.07Å; S519-L521 PolarHBondContact O-N 2.68Å | ||
| 520 | S | 27.1 | Very low | 32.7 | Very low | 117 Ų | 117 | 124.3 Ų | 124.3 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | 16.2 | 77.7 | 179.7 | 125 | 0 | 0 | 0 | 0 | 116.4 | Q518 | Q518-S520 PolarHBondContact O-N 2.91Š| ||
| 521 | L | 27.5 | Very low | 33.5 | Very low | 154.5 Ų | 154.5 | 126 Ų | 126 | 81% | 0.809 | 69% | 0.69 | S | S | * | * | trans | -101.1 | 97.6 | 158.7 | -162.5 | 75.4 | 0 | 0 | 0 | 108.6 | S519 V523 | S519-L521 PolarHBondContact O-N 2.68Å; L521-V523 VanDerWaalsContact C-N 3.28Å; L521-V523 PolarHBondContact O-N 3Å; L521-V523 VanDerWaalsContact O-N 3.07Å | ||
| 522 | T | 29.4 | Very low | 34.7 | Very low | 130.5 Ų | 130.5 | 124.7 Ų | 124.7 | 80% | 0.801 | 68% | 0.679 | S | S | * | * | trans | -60.3 | 102.7 | 167.6 | 37.5 | 0 | 0 | 0 | 0 | 108.7 | D524 | T522-D524 PolarHBondContact O-N 3.33Å; T522-D524 VanDerWaalsContact O-N 3.08Å | ||
| 523 | V | 34 | Very low | 35.8 | Very low | 111.5 Ų | 111.5 | 123.2 Ų | 123.2 | 68% | 0.676 | 67% | 0.672 | S | S | * | * | trans | -67.8 | 108.4 | 176.6 | 179.1 | 0 | 0 | 0 | 0 | 108 | L521 Q525 | L521-V523 VanDerWaalsContact C-N 3.28Å; L521-V523 PolarHBondContact O-N 3Å; L521-V523 VanDerWaalsContact O-N 3.07Å; V523-Q525 PolarHBondContact O-N 3.47Å | ||
| 524 | D | 37.7 | Very low | 37.3 | Very low | 105.5 Ų | 105.5 | 121.7 Ų | 121.7 | 56% | 0.564 | 67% | 0.665 | S | S | * | * | trans | -66.3 | 129.8 | 177.8 | -172.4 | 23.4 | 0 | 0 | 0 | 109.9 | T522 S526 T527 | T522-D524 PolarHBondContact O-N 3.33Å; T522-D524 VanDerWaalsContact O-N 3.08Å; D524-S526 VanDerWaalsContact CG-OG 3.29Å; D524-S526 PolarHBondContact O-N 2.86Å; D524-S526 WeakPolarHBondContact OD2-CB 3.07Å; D524-S526 PolarHBondContact OD2-OG 3.24Å; D524-T527 WeakPolarHBondContact O-CB 3.27Å; D524-T527 PolarHBondContact O-N 2.96Å; D524-T527 VanDerWaalsContact O-N 3.12Å; D524-T527 PolarHBondContact O-OG1 3.32Å | ||
| 525 | Q | 34.6 | Very low | 38.5 | Very low | 166 Ų | 166 | 122.6 Ų | 122.6 | 78% | 0.776 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -63.6 | -17.6 | -175 | -69.7 | -176.9 | -15.4 | 0 | 0 | 112.5 | V523 T527 Q528 T529 | V523-Q525 PolarHBondContact O-N 3.47Å; Q525-T527 VanDerWaalsContact C-N 3.32Å; Q525-T527 PolarHBondContact O-N 2.83Å; Q525-Q528 PolarHBondContact O-N 3.37Å; Q525-T529 PolarHBondContact O-OG1 3.23Å; Q525-T529 VanDerWaalsContact O-OG1 3.08Å |
| 526 | S | 40 | Very low | 39.9 | Very low | 53.5 Ų | 53.5 | 123.5 Ų | 123.5 | 37% | 0.374 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -58 | -34.4 | 172.7 | 65.1 | 0 | 0 | 0 | 0 | 113.2 | D524 Q528 T529 I530 | D524-S526 VanDerWaalsContact CG-OG 3.29Å; D524-S526 PolarHBondContact O-N 2.86Å; D524-S526 WeakPolarHBondContact OD2-CB 3.07Å; D524-S526 PolarHBondContact OD2-OG 3.24Å; S526-Q528 PolarHBondContact O-N 3.37Å; S526-T529 PolarHBondContact O-N 3.4Å; S526-T529 PolarHBondContact O-OG1 3.21Å; S526-T529 VanDerWaalsContact O-OG1 3.09Å; S526-I530 WeakPolarHBondContact O-CG1 3.4Å; S526-I530 PolarHBondContact O-N 2.7Å |
| 527 | T | 42.1 | Very low | 41.3 | Very low | 75 Ų | 75 | 124 Ų | 124 | 46% | 0.46 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -70.2 | -33.2 | -175.7 | -11.9 | 0 | 0 | 0 | 0 | 113.4 | D524 Q525 Q531 | D524-T527 WeakPolarHBondContact O-CB 3.27Å; D524-T527 PolarHBondContact O-N 2.96Å; D524-T527 VanDerWaalsContact O-N 3.12Å; D524-T527 PolarHBondContact O-OG1 3.32Å; Q525-T527 VanDerWaalsContact C-N 3.32Å; Q525-T527 PolarHBondContact O-N 2.83Å; T527-Q531 PolarHBondContact O-N 3.18Å |
| 528 | Q | 41.4 | Very low | 43 | Very low | 140 Ų | 140 | 121.6 Ų | 121.6 | 65% | 0.654 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.6 | -35.2 | 176.2 | -91.6 | -174.7 | -13.1 | 0 | 0 | 112.1 | Q525 S526 I530 Q531 V532 | Q525-Q528 PolarHBondContact O-N 3.37Å; S526-Q528 PolarHBondContact O-N 3.37Å; Q528-I530 PolarHBondContact O-N 3.39Å; Q528-Q531 PolarHBondContact O-N 3.15Å; Q528-V532 WeakPolarHBondContact O-CG2 3.35Å; Q528-V532 PolarHBondContact O-N 3.14Å; Q528-V532 VanDerWaalsContact O-N 3.16Å |
| 529 | T | 43.4 | Very low | 44.1 | Very low | 82.5 Ų | 82.5 | 115.1 Ų | 115.1 | 51% | 0.506 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.4 | -40.6 | 179.7 | -13.3 | 0 | 0 | 0 | 0 | 111.5 | Q525 S526 Q531 V532 E533 | Q525-T529 PolarHBondContact O-OG1 3.23Å; Q525-T529 VanDerWaalsContact O-OG1 3.08Å; S526-T529 PolarHBondContact O-N 3.4Å; S526-T529 PolarHBondContact O-OG1 3.21Å; S526-T529 VanDerWaalsContact O-OG1 3.09Å; T529-Q531 PolarHBondContact O-N 3.11Å; T529-V532 PolarHBondContact O-N 3.17Å; T529-E533 PolarHBondContact O-N 3.21Å |
| 530 | I | 50.7 | Low | 45.5 | Very low | 104 Ų | 104 | 117.1 Ų | 117.1 | 53% | 0.533 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63 | -41.3 | 177.8 | -63.5 | 168 | 0 | 0 | 0 | 111.5 | S526 Q528 V532 E533 E534 | S526-I530 WeakPolarHBondContact O-CG1 3.4Å; S526-I530 PolarHBondContact O-N 2.7Å; Q528-I530 PolarHBondContact O-N 3.39Å; I530-V532 VanDerWaalsContact C-N 3.32Å; I530-V532 PolarHBondContact O-N 3.05Å; I530-E533 PolarHBondContact O-N 3.06Å; I530-E534 WeakPolarHBondContact O-CB 3.37Å; I530-E534 PolarHBondContact O-N 3.3Å |
| 531 | Q | 45 | Very low | 47.2 | Very low | 136 Ų | 136 | 115.8 Ų | 115.8 | 64% | 0.636 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.7 | -33.1 | 177.7 | -72.6 | -170.8 | -20.4 | 0 | 0 | 113.1 | T527 Q528 T529 Y535 | T527-Q531 PolarHBondContact O-N 3.18Å; Q528-Q531 PolarHBondContact O-N 3.15Å; T529-Q531 PolarHBondContact O-N 3.11Å; Q531-Y535 WeakPolarHBondContact O-CB 3.33Å; Q531-Y535 PolarHBondContact O-N 3.36Å |
| 532 | V | 49.8 | Very low | 48.7 | Very low | 81.5 Ų | 81.5 | 116.3 Ų | 116.3 | 49% | 0.494 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.1 | -45.3 | 174.7 | 174 | 0 | 0 | 0 | 0 | 110.7 | Q528 T529 I530 E534 Y535 E536 | Q528-V532 WeakPolarHBondContact O-CG2 3.35Å; Q528-V532 PolarHBondContact O-N 3.14Å; Q528-V532 VanDerWaalsContact O-N 3.16Å; T529-V532 PolarHBondContact O-N 3.17Å; I530-V532 VanDerWaalsContact C-N 3.32Å; I530-V532 PolarHBondContact O-N 3.05Å; V532-E534 VanDerWaalsContact C-N 3.33Å; V532-E534 PolarHBondContact O-N 2.88Å; V532-Y535 PolarHBondContact O-N 3.16Å; V532-E536 HydrophobicContact CG1-CG 4.43Å; V532-E536 WeakPolarHBondContact O-CG 3.37Å; V532-E536 PolarHBondContact O-N 2.91Å |
| 533 | E | 52.8 | Low | 50 | Low | 131.5 Ų | 131.5 | 115 Ų | 115 | 61% | 0.614 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.6 | -40 | 176.4 | -73.2 | -175 | 179.2 | 0 | 0 | 112.2 | T529 I530 E536 K537 | T529-E533 PolarHBondContact O-N 3.21Å; I530-E533 PolarHBondContact O-N 3.06Å; E533-E536 PolarHBondContact O-N 3.3Å; E533-K537 WeakPolarHBondContact O-CB 3.44Å; E533-K537 PolarHBondContact O-N 3.36Å |
| 534 | E | 60.4 | Low | 51 | Low | 131.5 Ų | 131.5 | 114.2 Ų | 114.2 | 61% | 0.614 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.4 | -36.7 | 177.7 | -163.8 | 165.4 | -137.5 | 0 | 0 | 112.1 | I530 V532 T538 | I530-E534 WeakPolarHBondContact O-CB 3.37Å; I530-E534 PolarHBondContact O-N 3.3Å; V532-E534 VanDerWaalsContact C-N 3.33Å; V532-E534 PolarHBondContact O-N 2.88Å; E534-T538 WeakPolarHBondContact O-CB 3.42Å; E534-T538 PolarHBondContact O-N 3.08Å; E534-T538 VanDerWaalsContact O-N 3.11Å; E534-T538 PolarHBondContact O-OG1 3.23Å |
| 535 | Y | 52.8 | Low | 52.1 | Low | 165 Ų | 165 | 116.9 Ų | 116.9 | 65% | 0.647 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.7 | -45.2 | 173.4 | -173.3 | -95 | 0 | 0 | 0 | 112.4 | Q531 V532 K537 T538 C539 | Q531-Y535 WeakPolarHBondContact O-CB 3.33Å; Q531-Y535 PolarHBondContact O-N 3.36Å; V532-Y535 PolarHBondContact O-N 3.16Å; Y535-K537 VanDerWaalsContact C-N 3.33Å; Y535-K537 PolarHBondContact O-N 3.2Å; Y535-T538 WeakPolarHBondContact O-CB 3.44Å; Y535-T538 PolarHBondContact O-N 3.12Å; Y535-T538 VanDerWaalsContact O-N 3.12Å; Y535-C539 VanDerWaalsContact CE1-SG 3.53Å; Y535-C539 PolarHBondContact O-N 3.27Å; Y535-C539 PolarHBondContact O-SG 3Å |
| 536 | E | 56.2 | Low | 53.1 | Low | 127 Ų | 127 | 112.3 Ų | 112.3 | 59% | 0.593 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.1 | -43.1 | 176.1 | -76.1 | -173.7 | 171.1 | 0 | 0 | 111.6 | V532 E533 T538 C539 F540 | V532-E536 HydrophobicContact CG1-CG 4.43Å; V532-E536 WeakPolarHBondContact O-CG 3.37Å; V532-E536 PolarHBondContact O-N 2.91Å; E533-E536 PolarHBondContact O-N 3.3Å; E536-T538 VanDerWaalsContact C-N 3.32Å; E536-T538 PolarHBondContact O-N 2.95Å; E536-C539 PolarHBondContact O-N 2.95Å; E536-F540 WeakPolarHBondContact O-CB 3.45Å; E536-F540 PolarHBondContact O-N 3.2Å |
| 537 | K | 56.8 | Low | 53.7 | Low | 159 Ų | 159 | 115.4 Ų | 115.4 | 69% | 0.691 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.5 | -38.9 | 176 | -161.2 | 176.6 | -173.9 | -179.6 | 0 | 112.1 | E533 Y535 F540 D541 | E533-K537 WeakPolarHBondContact O-CB 3.44Å; E533-K537 PolarHBondContact O-N 3.36Å; Y535-K537 VanDerWaalsContact C-N 3.33Å; Y535-K537 PolarHBondContact O-N 3.2Å; K537-F540 PolarHBondContact O-N 3.38Å; K537-D541 WeakPolarHBondContact O-CB 3.4Å; K537-D541 PolarHBondContact O-N 3.06Å; K537-D541 VanDerWaalsContact O-N 3.1Å |
| 538 | T | 64 | Low | 54.1 | Low | 89 Ų | 89 | 116.1 Ų | 116.1 | 55% | 0.546 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.3 | -40.7 | 176.2 | -55 | 0 | 0 | 0 | 0 | 111.6 | E534 Y535 E536 F540 D541 Y542 | E534-T538 WeakPolarHBondContact O-CB 3.42Å; E534-T538 PolarHBondContact O-N 3.08Å; E534-T538 VanDerWaalsContact O-N 3.11Å; E534-T538 PolarHBondContact O-OG1 3.23Å; Y535-T538 WeakPolarHBondContact O-CB 3.44Å; Y535-T538 PolarHBondContact O-N 3.12Å; Y535-T538 VanDerWaalsContact O-N 3.12Å; E536-T538 VanDerWaalsContact C-N 3.32Å; E536-T538 PolarHBondContact O-N 2.95Å; T538-F540 VanDerWaalsContact C-N 3.33Å; T538-F540 PolarHBondContact O-N 3.23Å; T538-D541 PolarHBondContact O-N 2.67Å; T538-Y542 WeakPolarHBondContact O-CB 3.49Å; T538-Y542 PolarHBondContact O-N 2.86Å; T538-Y542 VanDerWaalsContact O-N 3.1Å |
| 539 | C | 50 | Low | 54.1 | Low | 60 Ų | 60 | 114.9 Ų | 114.9 | 41% | 0.405 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.2 | -39.9 | 174.4 | -69.3 | 0 | 0 | 0 | 0 | 112.2 | Y535 E536 Y542 L543 | Y535-C539 VanDerWaalsContact CE1-SG 3.53Å; Y535-C539 PolarHBondContact O-N 3.27Å; Y535-C539 PolarHBondContact O-SG 3Å; E536-C539 PolarHBondContact O-N 2.95Å; C539-Y542 PolarHBondContact O-N 3.46Å; C539-L543 WeakPolarHBondContact O-CB 3.43Å; C539-L543 PolarHBondContact O-N 3.25Å |
| 540 | F | 59.1 | Low | 54 | Low | 138 Ų | 138 | 115.5 Ų | 115.5 | 61% | 0.605 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.7 | -43.5 | 177.8 | -160.3 | -90.9 | 0 | 0 | 0 | 112 | E536 K537 T538 Y542 L543 H544 | E536-F540 WeakPolarHBondContact O-CB 3.45Å; E536-F540 PolarHBondContact O-N 3.2Å; K537-F540 PolarHBondContact O-N 3.38Å; T538-F540 VanDerWaalsContact C-N 3.33Å; T538-F540 PolarHBondContact O-N 3.23Å; F540-Y542 VanDerWaalsContact C-N 3.32Å; F540-Y542 PolarHBondContact O-N 3.13Å; F540-L543 PolarHBondContact O-N 3.18Å; F540-H544 AromaticContact CD1-CD2 3.62Å; F540-H544 AromaticContact CD1-NE2 3.85Å; F540-H544 AromaticContact CE1-CD2 3.38Å; F540-H544 WeakPolarHBondContact CE1-CD2 3.5Å; F540-H544 AromaticContact CE1-NE2 3.09Å; F540-H544 WeakPolarHBondContact CE1-NE2 3.3Å; F540-H544 AromaticContact CZ-NE2 3.56Å; F540-H544 WeakPolarHBondContact O-CB 3.45Å; F540-H544 PolarHBondContact O-N 3.17Å |
| 541 | D | 64.3 | Low | 54.2 | Low | 90 Ų | 90 | 116.7 Ų | 116.7 | 48% | 0.481 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68 | -30.8 | 177.7 | -154.9 | 45 | 0 | 0 | 0 | 112.3 | K537 T538 R545 | K537-D541 WeakPolarHBondContact O-CB 3.4Å; K537-D541 PolarHBondContact O-N 3.06Å; K537-D541 VanDerWaalsContact O-N 3.1Å; T538-D541 PolarHBondContact O-N 2.67Å; D541-R545 WeakPolarHBondContact O-CG 3.3Å; D541-R545 PolarHBondContact O-N 3.11Å; D541-R545 PolarHBondContact O-NH1 2.79Å; D541-R545 VanDerWaalsContact O-NH1 3.08Å; D541-R545 IonicContact OD1-NH1 2.87Å; D541-R545 IonicContact OD2-CZ 2.68Å; D541-R545 IonicContact OD2-NH1 2.73Å; D541-R545 PolarHBondContact OD2-NH1 3.39Å; D541-R545 IonicContact OD2-NH2 3.38Å; D541-R545 PolarHBondContact OD2-NH2 2.93Å |
| 542 | Y | 58.5 | Low | 54 | Low | 165.5 Ų | 165.5 | 115.8 Ų | 115.8 | 65% | 0.649 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.9 | -47.1 | 171.1 | -172.3 | -93.8 | 0 | 0 | 0 | 111.9 | T538 C539 F540 H544 R545 V546 | T538-Y542 WeakPolarHBondContact O-CB 3.49Å; T538-Y542 PolarHBondContact O-N 2.86Å; T538-Y542 VanDerWaalsContact O-N 3.1Å; C539-Y542 PolarHBondContact O-N 3.46Å; F540-Y542 VanDerWaalsContact C-N 3.32Å; F540-Y542 PolarHBondContact O-N 3.13Å; Y542-H544 VanDerWaalsContact C-N 3.31Å; Y542-H544 PolarHBondContact O-N 3.27Å; Y542-R545 WeakPolarHBondContact O-CB 3.42Å; Y542-R545 PolarHBondContact O-N 3.15Å; Y542-R545 VanDerWaalsContact O-N 3.14Å; Y542-V546 HydrophobicContact CD1-CG2 4.16Å; Y542-V546 HydrophobicContact CE1-CG2 3.82Å; Y542-V546 WeakPolarHBondContact O-CG2 3.48Å; Y542-V546 PolarHBondContact O-N 3.31Å; Y542-V546 VanDerWaalsContact O-N 3.07Å |
| 543 | L | 57.3 | Low | 53.4 | Low | 104 Ų | 104 | 114.5 Ų | 114.5 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 179.8 | -162.1 | 75.4 | 0 | 0 | 0 | 111.4 | C539 F540 R545 V546 E547 | C539-L543 WeakPolarHBondContact O-CB 3.43Å; C539-L543 PolarHBondContact O-N 3.25Å; F540-L543 PolarHBondContact O-N 3.18Å; L543-R545 VanDerWaalsContact C-N 3.32Å; L543-R545 PolarHBondContact O-N 3.28Å; L543-V546 PolarHBondContact O-N 2.79Å; L543-V546 VanDerWaalsContact O-N 3.13Å; L543-E547 PolarHBondContact O-N 3.1Å |
| 544 | H | 54.4 | Low | 52.8 | Low | 94.5 Ų | 94.5 | 113.4 Ų | 113.4 | 44% | 0.438 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.9 | -31.5 | 177.6 | -120.7 | -46.6 | 0 | 0 | 0 | 113 | F540 Y542 E547 L548 | F540-H544 AromaticContact CD1-CD2 3.62Å; F540-H544 AromaticContact CD1-NE2 3.85Å; F540-H544 AromaticContact CE1-CD2 3.38Å; F540-H544 WeakPolarHBondContact CE1-CD2 3.5Å; F540-H544 AromaticContact CE1-NE2 3.09Å; F540-H544 WeakPolarHBondContact CE1-NE2 3.3Å; F540-H544 AromaticContact CZ-NE2 3.56Å; F540-H544 WeakPolarHBondContact O-CB 3.45Å; F540-H544 PolarHBondContact O-N 3.17Å; Y542-H544 VanDerWaalsContact C-N 3.31Å; Y542-H544 PolarHBondContact O-N 3.27Å; H544-E547 IonicContact ND1-OE2 3.56Å; H544-L548 VanDerWaalsContact O-CB 3.22Å; H544-L548 WeakPolarHBondContact O-CB 3.47Å; H544-L548 PolarHBondContact O-N 2.92Å; H544-L548 VanDerWaalsContact O-N 3.12Å |
| 545 | R | 60.4 | Low | 51.5 | Low | 162 Ų | 162 | 115 Ų | 115 | 61% | 0.611 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.8 | -40.6 | 170 | -87.9 | -172.2 | -175.6 | 103.1 | 2 | 112.4 | D541 Y542 L543 L548 L549 | D541-R545 WeakPolarHBondContact O-CG 3.3Å; D541-R545 PolarHBondContact O-N 3.11Å; D541-R545 PolarHBondContact O-NH1 2.79Å; D541-R545 VanDerWaalsContact O-NH1 3.08Å; D541-R545 IonicContact OD1-NH1 2.87Å; D541-R545 IonicContact OD2-CZ 2.68Å; D541-R545 IonicContact OD2-NH1 2.73Å; D541-R545 PolarHBondContact OD2-NH1 3.39Å; D541-R545 IonicContact OD2-NH2 3.38Å; D541-R545 PolarHBondContact OD2-NH2 2.93Å; Y542-R545 WeakPolarHBondContact O-CB 3.42Å; Y542-R545 PolarHBondContact O-N 3.15Å; Y542-R545 VanDerWaalsContact O-N 3.14Å; L543-R545 VanDerWaalsContact C-N 3.32Å; L543-R545 PolarHBondContact O-N 3.28Å; R545-L548 PolarHBondContact O-N 3.22Å; R545-L549 VanDerWaalsContact O-CB 3.29Å; R545-L549 WeakPolarHBondContact O-CB 3.38Å; R545-L549 PolarHBondContact O-N 3.13Å |
| 546 | V | 55.1 | Low | 50.6 | Low | 68.5 Ų | 68.5 | 111.2 Ų | 111.2 | 42% | 0.415 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 177.7 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | Y542 L543 L548 L549 N550 | Y542-V546 HydrophobicContact CD1-CG2 4.16Å; Y542-V546 HydrophobicContact CE1-CG2 3.82Å; Y542-V546 WeakPolarHBondContact O-CG2 3.48Å; Y542-V546 PolarHBondContact O-N 3.31Å; Y542-V546 VanDerWaalsContact O-N 3.07Å; L543-V546 PolarHBondContact O-N 2.79Å; L543-V546 VanDerWaalsContact O-N 3.13Å; V546-L548 PolarHBondContact O-N 3.1Å; V546-L549 PolarHBondContact O-N 3.28Å; V546-N550 VanDerWaalsContact O-CB 3.31Å; V546-N550 WeakPolarHBondContact O-CB 3.43Å; V546-N550 PolarHBondContact O-N 3.09Å |
| 547 | E | 52.2 | Low | 49.4 | Very low | 118.5 Ų | 118.5 | 111.8 Ų | 111.8 | 55% | 0.554 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.9 | -42.5 | 174.7 | -70.8 | -172.4 | 160.1 | 0 | 0 | 112.4 | L543 H544 N550 F551 | L543-E547 PolarHBondContact O-N 3.1Å; H544-E547 IonicContact ND1-OE2 3.56Å; E547-N550 PolarHBondContact O-N 3.02Å; E547-F551 VanDerWaalsContact O-CB 3.32Å; E547-F551 WeakPolarHBondContact O-CB 3.42Å; E547-F551 PolarHBondContact O-N 3.31Å |
| 548 | L | 51.5 | Low | 48.2 | Very low | 90 Ų | 90 | 114.4 Ų | 114.4 | 47% | 0.471 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.1 | -43.3 | 175.6 | -133.9 | 118.1 | 0 | 0 | 0 | 111.7 | H544 R545 V546 N550 F551 F552 | H544-L548 VanDerWaalsContact O-CB 3.22Å; H544-L548 WeakPolarHBondContact O-CB 3.47Å; H544-L548 PolarHBondContact O-N 2.92Å; H544-L548 VanDerWaalsContact O-N 3.12Å; R545-L548 PolarHBondContact O-N 3.22Å; V546-L548 PolarHBondContact O-N 3.1Å; L548-N550 VanDerWaalsContact C-N 3.34Å; L548-F551 WeakPolarHBondContact O-CB 3.47Å; L548-F551 PolarHBondContact O-N 2.99Å; L548-F552 HydrophobicContact CD1-CE2 4.16Å; L548-F552 HydrophobicContact CD2-CD2 4.3Å; L548-F552 HydrophobicContact CD2-CE2 3.92Å; L548-F552 HydrophobicContact CG-CD2 4Å; L548-F552 HydrophobicContact CG-CE2 3.7Å; L548-F552 WeakPolarHBondContact O-CD2 3.16Å; L548-F552 PolarHBondContact O-N 3.29Å |
| 549 | L | 40.7 | Very low | 46.5 | Very low | 115.5 Ų | 115.5 | 118.2 Ų | 118.2 | 61% | 0.605 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.2 | -43.7 | 176.4 | -167.8 | 70.8 | 0 | 0 | 0 | 110.7 | R545 V546 F551 F552 C553 | R545-L549 VanDerWaalsContact O-CB 3.29Å; R545-L549 WeakPolarHBondContact O-CB 3.38Å; R545-L549 PolarHBondContact O-N 3.13Å; V546-L549 PolarHBondContact O-N 3.28Å; L549-F551 VanDerWaalsContact C-N 3.31Å; L549-F551 PolarHBondContact O-N 3.21Å; L549-F552 CarbonylContact O-C 3.23Å; L549-F552 PolarHBondContact O-N 3.15Å; L549-F552 VanDerWaalsContact O-N 3.14Å; L549-C553 WeakPolarHBondContact O-CB 3.48Å; L549-C553 PolarHBondContact O-N 3.45Å; L549-C553 PolarHBondContact O-SG 3.05Å |
| 550 | N | 42.6 | Very low | 45.4 | Very low | 95.5 Ų | 95.5 | 122.7 Ų | 122.7 | 51% | 0.511 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.8 | -38.1 | 177.2 | -151.7 | 1.2 | 0 | 0 | 0 | 111.4 | V546 E547 L548 F552 C553 N554 | V546-N550 VanDerWaalsContact O-CB 3.31Å; V546-N550 WeakPolarHBondContact O-CB 3.43Å; V546-N550 PolarHBondContact O-N 3.09Å; E547-N550 PolarHBondContact O-N 3.02Å; L548-N550 VanDerWaalsContact C-N 3.34Å; N550-F552 PolarHBondContact O-N 2.84Å; N550-C553 PolarHBondContact O-N 3.33Å; N550-N554 WeakPolarHBondContact O-CB 3.39Å; N550-N554 VanDerWaalsContact O-CG 3.24Å; N550-N554 PolarHBondContact O-N 3.22Å; N550-N554 PolarHBondContact O-ND2 2.94Å; N550-N554 PolarHBondContact OD1-ND2 3.21Å |
| 551 | F | 53.3 | Low | 43.8 | Very low | 128.5 Ų | 128.5 | 121.5 Ų | 121.5 | 56% | 0.564 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.4 | -41.2 | 171.6 | 178.6 | -94.2 | 0 | 0 | 0 | 112.3 | E547 L548 L549 R555 | E547-F551 VanDerWaalsContact O-CB 3.32Å; E547-F551 WeakPolarHBondContact O-CB 3.42Å; E547-F551 PolarHBondContact O-N 3.31Å; L548-F551 WeakPolarHBondContact O-CB 3.47Å; L548-F551 PolarHBondContact O-N 2.99Å; L549-F551 VanDerWaalsContact C-N 3.31Å; L549-F551 PolarHBondContact O-N 3.21Å; F551-R555 PolarHBondContact O-N 3.01Å |
| 552 | F | 41.4 | Very low | 42 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 51% | 0.509 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.7 | -44 | 175.2 | -82.2 | -66.1 | 0 | 0 | 0 | 112.9 | L548 L549 N550 N554 R555 T556 | L548-F552 HydrophobicContact CD1-CE2 4.16Å; L548-F552 HydrophobicContact CD2-CD2 4.3Å; L548-F552 HydrophobicContact CD2-CE2 3.92Å; L548-F552 HydrophobicContact CG-CD2 4Å; L548-F552 HydrophobicContact CG-CE2 3.7Å; L548-F552 WeakPolarHBondContact O-CD2 3.16Å; L548-F552 PolarHBondContact O-N 3.29Å; L549-F552 CarbonylContact O-C 3.23Å; L549-F552 PolarHBondContact O-N 3.15Å; L549-F552 VanDerWaalsContact O-N 3.14Å; N550-F552 PolarHBondContact O-N 2.84Å; F552-N554 VanDerWaalsContact C-N 3.3Å; F552-N554 PolarHBondContact O-N 3.14Å; F552-R555 CarbonylContact O-C 3.18Å; F552-R555 WeakPolarHBondContact O-CA 3.45Å; F552-R555 WeakPolarHBondContact O-CB 3.46Å; F552-R555 PolarHBondContact O-N 3.43Å; F552-R555 VanDerWaalsContact O-N 3.09Å; F552-T556 PolarHBondContact O-N 3.13Å; F552-T556 PolarHBondContact O-OG1 3.06Å |
| 553 | C | 38.5 | Very low | 40.5 | Very low | 55 Ų | 55 | 127.2 Ų | 127.2 | 37% | 0.372 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -59.5 | -40.9 | 176.6 | -69.7 | 0 | 0 | 0 | 0 | 111.8 | L549 N550 R555 T556 N557 | L549-C553 WeakPolarHBondContact O-CB 3.48Å; L549-C553 PolarHBondContact O-N 3.45Å; L549-C553 PolarHBondContact O-SG 3.05Å; N550-C553 PolarHBondContact O-N 3.33Å; C553-R555 PolarHBondContact O-N 3.26Å; C553-T556 WeakPolarHBondContact CA-OG1 3.24Å; C553-T556 PolarHBondContact O-N 3.02Å; C553-T556 PolarHBondContact O-OG1 3.03Å; C553-T556 VanDerWaalsContact O-OG1 3.12Å; C553-N557 WeakPolarHBondContact O-CB 3.39Å; C553-N557 VanDerWaalsContact O-CG 3.24Å; C553-N557 PolarHBondContact O-N 3.12Å; C553-N557 VanDerWaalsContact O-N 3.09Å; C553-N557 PolarHBondContact O-ND2 3.49Å |
| 554 | N | 38.7 | Very low | 39.1 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 58% | 0.578 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.7 | -18 | 175.5 | -76.4 | -51.1 | 0 | 0 | 0 | 113.8 | N550 F552 | N550-N554 WeakPolarHBondContact O-CB 3.39Å; N550-N554 VanDerWaalsContact O-CG 3.24Å; N550-N554 PolarHBondContact O-N 3.22Å; N550-N554 PolarHBondContact O-ND2 2.94Å; N550-N554 PolarHBondContact OD1-ND2 3.21Å; F552-N554 VanDerWaalsContact C-N 3.3Å; F552-N554 PolarHBondContact O-N 3.14Å |
| 555 | R | 33.2 | Very low | 37.5 | Very low | 164.5 Ų | 164.5 | 133.4 Ų | 133.4 | 62% | 0.621 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -95.4 | -34.3 | 177.3 | -158.2 | 168.9 | -176.2 | 100.8 | -0.7 | 112.9 | F551 F552 C553 R558 | F551-R555 PolarHBondContact O-N 3.01Å; F552-R555 CarbonylContact O-C 3.18Å; F552-R555 WeakPolarHBondContact O-CA 3.45Å; F552-R555 WeakPolarHBondContact O-CB 3.46Å; F552-R555 PolarHBondContact O-N 3.43Å; F552-R555 VanDerWaalsContact O-N 3.09Å; C553-R555 PolarHBondContact O-N 3.26Å; R555-R558 PolarHBondContact O-N 2.91Å |
| 556 | T | 34 | Very low | 35.8 | Very low | 86 Ų | 86 | 133.8 Ų | 133.8 | 53% | 0.528 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -71.9 | -34.8 | 176.8 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | F552 C553 R558 F559 | F552-T556 PolarHBondContact O-N 3.13Å; F552-T556 PolarHBondContact O-OG1 3.06Å; C553-T556 WeakPolarHBondContact CA-OG1 3.24Å; C553-T556 PolarHBondContact O-N 3.02Å; C553-T556 PolarHBondContact O-OG1 3.03Å; C553-T556 VanDerWaalsContact O-OG1 3.12Å; T556-R558 PolarHBondContact O-N 3.25Å; T556-F559 PolarHBondContact O-N 3.21Å |
| 557 | N | 31.5 | Very low | 34.4 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 75% | 0.749 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 3.4 | 174.7 | -73.1 | -13.8 | 0 | 0 | 0 | 114.7 | C553 | C553-N557 WeakPolarHBondContact O-CB 3.39Å; C553-N557 VanDerWaalsContact O-CG 3.24Å; C553-N557 PolarHBondContact O-N 3.12Å; C553-N557 VanDerWaalsContact O-N 3.09Å; C553-N557 PolarHBondContact O-ND2 3.49Å |
| 558 | R | 31.3 | Very low | 33.1 | Very low | 214 Ų | 214 | 140.8 Ų | 140.8 | 81% | 0.808 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | -5.2 | 171.7 | -87 | -171.6 | -177.6 | -172.2 | 1.4 | 115 | R555 T556 | R555-R558 PolarHBondContact O-N 2.91Å; T556-R558 PolarHBondContact O-N 3.25Å |
| 559 | F | 28.3 | Very low | 31.8 | Very low | 168.5 Ų | 168.5 | 144.1 Ų | 144.1 | 74% | 0.739 | 71% | 0.705 | S | S | * | * | trans | -120.4 | 80.7 | 176.7 | -72.4 | -78.6 | 0 | 0 | 0 | 110.4 | T556 P561 | T556-F559 PolarHBondContact O-N 3.21Å; F559-P561 VanDerWaalsContact O-CD 3.29Å; F559-P561 WeakPolarHBondContact O-CD 3.49Å | ||
| 560 | L | 26.3 | Very low | 31 | Very low | 154 Ų | 154 | 147.7 Ų | 147.7 | 81% | 0.806 | 72% | 0.716 | S | S | * | * | trans | -95.4 | 100.5 | 162.3 | -168.7 | 69.3 | 0 | 0 | 0 | 108.2 | K562 | L560-K562 PolarHBondContact O-N 3.17Å; L560-K562 VanDerWaalsContact O-N 3.11Å | ||
| 561 | P | 26.4 | Very low | 30.1 | Very low | 114 Ų | 114 | 149.8 Ų | 149.8 | 74% | 0.74 | 74% | 0.736 | S | S | * | * | trans | -69.8 | 110.4 | 177.7 | 7.3 | -0 | 0 | 0 | 0 | 108.8 | F559 E563 | F559-P561 VanDerWaalsContact O-CD 3.29Å; F559-P561 WeakPolarHBondContact O-CD 3.49Å; P561-E563 PolarHBondContact O-N 3.23Å | ||
| 562 | K | 26.3 | Very low | 28.6 | Very low | 191.5 Ų | 191.5 | 148.8 Ų | 148.8 | 83% | 0.833 | 75% | 0.751 | S | S | * | * | trans | -75.6 | 101.1 | 167.5 | -75.3 | -174.7 | 175.8 | -176.2 | 0 | 108.9 | L560 | L560-K562 PolarHBondContact O-N 3.17Å; L560-K562 VanDerWaalsContact O-N 3.11Å | ||
| 563 | E | 27.2 | Very low | 27.7 | Very low | 182.5 Ų | 182.5 | 147.4 Ų | 147.4 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | trans | -84.8 | 138.8 | 155.4 | -87.5 | 159.6 | -171 | 0 | 0 | 113.7 | P561 | P561-E563 PolarHBondContact O-N 3.23Š| ||
| 564 | T | 28.2 | Very low | 26.9 | Very low | 137 Ų | 137 | 152.8 Ų | 152.8 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | 126.2 | 76.4 | 157.8 | 35.6 | 0 | 0 | 0 | 0 | 112.3 | E566 | T564-E566 VanDerWaalsContact C-N 3.27Å; T564-E566 PolarHBondContact O-N 3.33Å | ||
| 565 | M | 21.2 | Very low | 26.3 | Very low | 191.5 Ų | 191.5 | 154.2 Ų | 154.2 | 94% | 0.943 | 80% | 0.797 | S | S | * | * | trans | -81 | 80.8 | 166.1 | -178.4 | 152.8 | 63 | 0 | 0 | 109.4 | ||||
| 566 | E | 24.7 | Very low | 25.7 | Very low | 170 Ų | 170 | 153.9 Ų | 153.9 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -161.6 | 146.2 | 166 | -122.2 | 171.2 | -155.6 | 0 | 0 | 112 | T564 | T564-E566 VanDerWaalsContact C-N 3.27Å; T564-E566 PolarHBondContact O-N 3.33Å | ||
| 567 | Q | 25.7 | Very low | 25.3 | Very low | 170 Ų | 170 | 157.7 Ų | 157.7 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | S | Bend | trans | 75.3 | 84.7 | 169.9 | -54.4 | -177.9 | 11.1 | 0 | 0 | 118.1 | ||
| 568 | H | 23.9 | Very low | 25 | Very low | 165.5 Ų | 165.5 | 156.2 Ų | 156.2 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | -111.2 | 119.2 | 122.8 | -93 | -85.8 | 0 | 0 | 0 | 114.5 | K570 | H568-K570 PolarHBondContact O-N 2.98Š| |||
| 569 | N | 23.5 | Very low | 24.6 | Very low | 159 Ų | 159 | 152.9 Ų | 152.9 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | trans | 9.1 | 93.7 | 160.1 | -68.6 | -25.7 | 0 | 0 | 0 | 114.1 | ||||
| 570 | K | 25.6 | Very low | 24.3 | Very low | 191.5 Ų | 191.5 | 151.9 Ų | 151.9 | 83% | 0.833 | 82% | 0.824 | S | S | * | * | trans | 178 | 61.4 | 151.6 | -105 | 168.7 | -175.8 | 177.2 | 0 | 114.4 | H568 | H568-K570 PolarHBondContact O-N 2.98Š| ||
| 571 | C | 22.6 | Very low | 24.1 | Very low | 138.5 Ų | 138.5 | 152.4 Ų | 152.4 | 94% | 0.936 | 83% | 0.825 | S | S | * | * | trans | -147.4 | 42.2 | 164.9 | -83.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 572 | A | 21.2 | Very low | 23.9 | Very low | 107 Ų | 107 | 154.6 Ų | 154.6 | 88% | 0.884 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -111.2 | 58.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 573 | A | 22.6 | Very low | 23.6 | Very low | 86.5 Ų | 86.5 | 150.8 Ų | 150.8 | 72% | 0.715 | 82% | 0.823 | S | S | * | * | trans | -157.4 | 153.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 574 | I | 23.2 | Very low | 23.4 | Very low | 169.5 Ų | 169.5 | 147.8 Ų | 147.8 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | S | Bend | trans | 81.1 | 45.4 | 178 | -35.3 | 166.4 | 0 | 0 | 0 | 114.5 | ||
| 575 | V | 24.7 | Very low | 23.2 | Very low | 138 Ų | 138 | 148.8 Ų | 148.8 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -134.6 | 91.7 | 148.1 | -169.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 576 | L | 21.6 | Very low | 23.4 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | 158.2 | 92.6 | 175.8 | -66 | 174.1 | 0 | 0 | 0 | 112.3 | ||||
| 577 | N | 25.2 | Very low | 23.5 | Very low | 165.5 Ų | 165.5 | 144.5 Ų | 144.5 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | -179.3 | 92.3 | 141.6 | -94 | -14.8 | 0 | 0 | 0 | 110.2 | ||||
| 578 | S | 24.4 | Very low | 23.3 | Very low | 109 Ų | 109 | 144.1 Ų | 144.1 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -121 | 91 | 157.6 | 50.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 579 | N | 23.4 | Very low | 23.3 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | trans | 107.1 | 120.4 | 151.1 | -74.5 | -12.4 | 0 | 0 | 0 | 116.9 | ||||
| 580 | I | 21.6 | Very low | 23.3 | Very low | 147.5 Ų | 147.5 | 141.8 Ų | 141.8 | 76% | 0.756 | 81% | 0.813 | S | S | * | * | trans | -10.5 | 122.6 | 145.7 | -55 | 159.5 | 0 | 0 | 0 | 114.2 | ||||
| 581 | I | 23.7 | Very low | 23.1 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -136 | 136.8 | 154.7 | -63.3 | -174.8 | 0 | 0 | 0 | 109.7 | ||||
| 582 | H | 21.9 | Very low | 23.2 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | trans | -75.3 | 157.1 | -175.1 | -72.4 | -99.2 | 0 | 0 | 0 | 115.1 | ||||
| 583 | S | 20.1 | Very low | 23.4 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -124.7 | 127.6 | 143.3 | -49.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 584 | T | 22.9 | Very low | 23.4 | Very low | 120.5 Ų | 120.5 | 145.8 Ų | 145.8 | 74% | 0.739 | 81% | 0.807 | S | S | * | * | 153.7 | 122.7 | 91.9 | 56.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 585 | N | 24.4 | Very low | 23.3 | Very low | 156.5 Ų | 156.5 | 145.5 Ų | 145.5 | 84% | 0.837 | 81% | 0.806 | S | S | * | * | trans | 7.3 | 148.1 | 169.8 | -52.9 | -38.6 | 0 | 0 | 0 | 114.7 | ||||
| 586 | L | 23.9 | Very low | 23.3 | Very low | 162.5 Ų | 162.5 | 145.4 Ų | 145.4 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | -142.3 | 158 | 81.4 | -157.1 | 75.8 | 0 | 0 | 0 | 109 | |||||
| 587 | P | 27.6 | Very low | 23.3 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | trans | -103.7 | 173.9 | -137 | 29.5 | -13.9 | 0 | 0 | 0 | 116.3 | ||||
| 588 | D | 22.2 | Very low | 23.3 | Very low | 162 Ų | 162 | 141 Ų | 141 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | trans | -57.3 | 138.8 | 174.3 | -52.2 | -78.7 | 0 | 0 | 0 | 115.9 | ||||
| 589 | S | 23.8 | Very low | 23.2 | Very low | 110.5 Ų | 110.5 | 142.2 Ų | 142.2 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -169.9 | 118.2 | 147.2 | 58.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 590 | L | 23.1 | Very low | 23.2 | Very low | 166 Ų | 166 | 141 Ų | 141 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | 153.9 | 73.4 | 173.9 | -64.2 | 177.8 | 0 | 0 | 0 | 112.6 | ||||
| 591 | L | 21.9 | Very low | 23.4 | Very low | 157.5 Ų | 157.5 | 138.4 Ų | 138.4 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | -21.9 | 104.5 | 113.8 | -73.6 | 169.3 | 0 | 0 | 0 | 110 | |||||
| 592 | K | 24 | Very low | 23.4 | Very low | 192.5 Ų | 192.5 | 139.9 Ų | 139.9 | 84% | 0.837 | 80% | 0.801 | S | S | * | * | 119.7 | 116 | 110.1 | -87.9 | -176.5 | 177.5 | -167.5 | 0 | 113 | |||||
| 593 | S | 25.8 | Very low | 23.4 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -168.1 | 124.7 | 143.4 | 55.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 594 | D | 21 | Very low | 23.6 | Very low | 139.5 Ų | 139.5 | 141.5 Ų | 141.5 | 75% | 0.746 | 81% | 0.805 | S | S | * | * | trans | -87.3 | 149.3 | -179.9 | -51.9 | -80.5 | 0 | 0 | 0 | 113.4 | ||||
| 595 | I | 23 | Very low | 23.6 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -170.5 | 113.6 | 155.6 | -68.8 | 165.3 | 0 | 0 | 0 | 106.9 | ||||
| 596 | V | 23.2 | Very low | 23.6 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | 86.1 | 106.5 | 52.2 | -177.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 597 | G | 21.7 | Very low | 23.6 | Very low | 62 Ų | 62 | 139.4 Ų | 139.4 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | trans | 92.8 | 125.8 | 149.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 598 | N | 24.9 | Very low | 23.4 | Very low | 168 Ų | 168 | 144.6 Ų | 144.6 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | -161.2 | 142.3 | 61.7 | -87.9 | -28.7 | 0 | 0 | 0 | 111.8 | |||||
| 599 | T | 22.5 | Very low | 23.7 | Very low | 133.5 Ų | 133.5 | 142 Ų | 142 | 82% | 0.819 | 80% | 0.795 | S | S | * | * | trans | -75.7 | 166.6 | 168.7 | 45.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 600 | P | 24.8 | Very low | 23.7 | Very low | 119.5 Ų | 119.5 | 144 Ų | 144 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | -145.9 | 167.9 | 65.4 | 39.2 | -19.3 | 0 | 0 | 0 | 116 | |||||
| 601 | A | 24.7 | Very low | 23.9 | Very low | 93 Ų | 93 | 143.5 Ų | 143.5 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 96.2 | 127 | 155.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 602 | K | 23 | Very low | 24.1 | Very low | 197 Ų | 197 | 145.1 Ų | 145.1 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | cis | 107.9 | 116.5 | 21.4 | -122.3 | 179.4 | -179.8 | 177.5 | 0 | 114.8 | ||||
| 603 | L | 23.9 | Very low | 24.2 | Very low | 164.667 Ų | 164.667 | 142 Ų | 142 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | trans | -179.5 | 114 | 152.3 | -80.1 | 171.2 | 0 | 0 | 0 | 108.7 | ||||
| 604 | N | 23.2 | Very low | 24.2 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | 62.9 | 113.1 | 75.3 | -121.3 | 8.1 | 0 | 0 | 0 | 112.3 | |||||
| 605 | I | 23.9 | Very low | 24.4 | Very low | 162.667 Ų | 162.667 | 140.5 Ų | 140.5 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | -144.9 | 120.8 | 125.1 | -72.2 | 169.4 | 0 | 0 | 0 | 106.9 | |||||
| 606 | S | 22.9 | Very low | 24.7 | Very low | 89.3333 Ų | 89.3333 | 137.9 Ų | 137.9 | 63% | 0.625 | 78% | 0.783 | S | S | * | * | trans | -76.1 | 152.1 | 144.4 | 71.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 607 | N | 24.9 | Very low | 24.8 | Very low | 143.333 Ų | 143.333 | 138.8 Ų | 138.8 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | 175.4 | 123.8 | 110.9 | -81.4 | -17.8 | 0 | 0 | 0 | 114.8 | |||||
| 608 | Y | 23.8 | Very low | 24.9 | Very low | 218 Ų | 218 | 140.9 Ų | 140.9 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -90 | 147.1 | 141.6 | -88.6 | -86.1 | 0 | 0 | 0 | 115.2 | ||||
| 609 | P | 27.1 | Very low | 25.1 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -115.1 | 164 | 139.6 | 38.8 | -27.9 | 0 | 0 | 0 | 115 | L611 | P609-L611 PolarHBondContact O-N 3.11Š| ||
| 610 | N | 25 | Very low | 25.1 | Very low | 152.333 Ų | 152.333 | 145.5 Ų | 145.5 | 82% | 0.815 | 78% | 0.784 | S | S | * | * | trans | -62.5 | 140.6 | 169.2 | -60.5 | -30.3 | 0 | 0 | 0 | 114.6 | ||||
| 611 | L | 26.3 | Very low | 25.3 | Very low | 154 Ų | 154 | 145.1 Ų | 145.1 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -123.1 | 135.4 | 172.3 | -88.7 | 158.7 | 0 | 0 | 0 | 110.4 | P609 E640 | P609-L611 PolarHBondContact O-N 3.11Å; L611-E640 HydrophobicContact CD2-CG 4.02Å | ||
| 612 | F | 25.5 | Very low | 25.4 | Very low | 192.667 Ų | 192.667 | 146.1 Ų | 146.1 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | -115.3 | 140.3 | 163.1 | -95.6 | -86.4 | 0 | 0 | 0 | 110.9 | ||||
| 613 | N | 27.1 | Very low | 25.6 | Very low | 126.667 Ų | 126.667 | 140.9 Ų | 140.9 | 68% | 0.677 | 77% | 0.774 | S | S | * | * | trans | -117.2 | 139.1 | 167 | -94.1 | 18.1 | 0 | 0 | 0 | 111.7 | D639 E640 | N613-D639 PolarHBondContact ND2-OD1 2.93Å; N613-D639 PolarHBondContact OD1-OD1 3.37Å; N613-E640 HydrophobicContact CB-CG 4.3Å; N613-E640 WeakPolarHBondContact OD1-CB 3.41Å; N613-E640 WeakPolarHBondContact OD1-CG 3.25Å; N613-E640 PolarHBondContact OD1-N 2.9Å | ||
| 614 | G | 26.6 | Very low | 25.7 | Very low | 71.3333 Ų | 71.3333 | 139.8 Ų | 139.8 | 74% | 0.735 | 77% | 0.77 | S | S | * | * | trans | -153.8 | 64.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S616 | G614-S616 PolarHBondContact O-N 3.14Š| ||
| 615 | D | 25.2 | Very low | 26 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -46.2 | 134 | 171.6 | -73.4 | -49 | 0 | 0 | 0 | 113.3 | ||||
| 616 | S | 28.8 | Very low | 26.2 | Very low | 109 Ų | 109 | 144.3 Ų | 144.3 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -176.6 | 111.4 | 153.8 | 68 | 0 | 0 | 0 | 0 | 114.9 | G614 C618 | G614-S616 PolarHBondContact O-N 3.14Å; S616-C618 PolarHBondContact O-N 3.37Å | ||
| 617 | D | 25.7 | Very low | 26.3 | Very low | 154.667 Ų | 154.667 | 147.2 Ų | 147.2 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -38.6 | 142.1 | 152.7 | -74.2 | -57.4 | 0 | 0 | 0 | 115.8 | ||||
| 618 | C | 24 | Very low | 26.6 | Very low | 106.333 Ų | 106.333 | 147.8 Ų | 147.8 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | trans | 173.7 | 113.7 | 146.4 | -87 | 0 | 0 | 0 | 0 | 115.7 | S616 R620 | S616-C618 PolarHBondContact O-N 3.37Å; C618-R620 PolarHBondContact O-N 2.87Å | ||
| 619 | H | 28.6 | Very low | 26.8 | Very low | 184.333 Ų | 184.333 | 146.1 Ų | 146.1 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | 45.7 | 127.3 | 154 | -69.9 | -61.5 | 0 | 0 | 0 | 119 | S621 | H619-S621 PolarHBondContact O-N 3.24Š| ||
| 620 | R | 23 | Very low | 27 | Very low | 214.667 Ų | 214.667 | 146.4 Ų | 146.4 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -134.2 | 112.2 | 153.6 | -173.9 | 179.6 | -168.5 | 170.7 | 5 | 110 | E451 C618 | E451-R620 IonicContact OE2-NH2 3.55Å; C618-R620 PolarHBondContact O-N 2.87Å | ||
| 621 | S | 28.7 | Very low | 27.1 | Very low | 110.667 Ų | 110.667 | 149 Ų | 149 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | trans | -146.6 | 117.7 | 141.7 | -143.4 | 0 | 0 | 0 | 0 | 111.7 | H619 | H619-S621 PolarHBondContact O-N 3.24Š| ||
| 622 | T | 25.6 | Very low | 27.2 | Very low | 114.333 Ų | 114.333 | 146.3 Ų | 146.3 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -66.5 | 139.4 | 165.1 | 3.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 623 | A | 28.5 | Very low | 27.4 | Very low | 86 Ų | 86 | 144.5 Ų | 144.5 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -143.2 | 127 | 154.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 624 | D | 25.3 | Very low | 27.5 | Very low | 143.333 Ų | 143.333 | 147.8 Ų | 147.8 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -69.2 | 136.1 | 169.1 | -50.8 | -76.2 | 0 | 0 | 0 | 110.6 | ||||
| 625 | Y | 28.7 | Very low | 27.6 | Very low | 225.667 Ų | 225.667 | 149.5 Ų | 149.5 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | trans | -143.6 | 150.7 | 151.3 | -97.6 | -75.8 | 0 | 0 | 0 | 109.7 | ||||
| 626 | Q | 28.7 | Very low | 27.7 | Very low | 170.667 Ų | 170.667 | 149.7 Ų | 149.7 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | trans | -90 | 158.7 | -167.8 | -65.9 | 175 | -89 | 0 | 0 | 113.3 | ||||
| 627 | D | 25.8 | Very low | 27.8 | Very low | 150.333 Ų | 150.333 | 153.3 Ų | 153.3 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -29.2 | 136.9 | 162.7 | -64.5 | -49.3 | 0 | 0 | 0 | 115.1 | ||||
| 628 | D | 31.2 | Very low | 28 | Very low | 157.667 Ų | 157.667 | 151.5 Ų | 151.5 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -139.1 | 124.4 | 156.3 | -96.7 | -37.1 | 0 | 0 | 0 | 114.1 | ||||
| 629 | Q | 27.7 | Very low | 28.3 | Very low | 181 Ų | 181 | 153.4 Ų | 153.4 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -77.3 | 130.5 | 165.2 | -63.7 | -179.4 | 16.3 | 0 | 0 | 115.1 | ||||
| 630 | S | 30.6 | Very low | 28.4 | Very low | 114.667 Ų | 114.667 | 151.8 Ų | 151.8 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -175.9 | 120.1 | 154.3 | 58.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 631 | K | 26.8 | Very low | 28.7 | Very low | 206.333 Ų | 206.333 | 150 Ų | 150 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -71.5 | 146.5 | 158 | -66.6 | 176.2 | 173.5 | 180 | 0 | 114.5 | ||||
| 632 | S | 30.1 | Very low | 28.8 | Very low | 98 Ų | 98 | 152.1 Ų | 152.1 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | trans | 134 | 103.6 | 145.4 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 633 | D | 27.8 | Very low | 29 | Very low | 155.667 Ų | 155.667 | 153.4 Ų | 153.4 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | 59.9 | 105.5 | 109.4 | -52.1 | -21.9 | 0 | 0 | 0 | 117.3 | |||||
| 634 | E | 29.2 | Very low | 29.1 | Very low | 195.667 Ų | 195.667 | 158.9 Ų | 158.9 | 91% | 0.914 | 81% | 0.811 | S | S | * | * | trans | -169.1 | 134.9 | 138.9 | -90.6 | -178.6 | 173.1 | 0 | 0 | 113.8 | ||||
| 635 | S | 29.5 | Very low | 29.2 | Very low | 107 Ų | 107 | 156.6 Ų | 156.6 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | -163.6 | 137 | 161.6 | 64.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 636 | D | 28.2 | Very low | 29.2 | Very low | 157.667 Ų | 157.667 | 157.2 Ų | 157.2 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | trans | -133.4 | 155.1 | 142.9 | -74.2 | -69.5 | 0 | 0 | 0 | 109.1 | ||||
| 637 | E | 29.7 | Very low | 29.2 | Very low | 185.333 Ų | 185.333 | 154.9 Ų | 154.9 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | 155.5 | 108.2 | 131.3 | -120.6 | 177.6 | -176.6 | 0 | 0 | 114.5 | ||||
| 638 | T | 29.4 | Very low | 29.3 | Very low | 115.667 Ų | 115.667 | 156.1 Ų | 156.1 | 71% | 0.71 | 82% | 0.818 | S | S | * | * | trans | -53.2 | 140.3 | 157.9 | 53.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 639 | D | 30.5 | Very low | 29.1 | Very low | 146.333 Ų | 146.333 | 153.8 Ų | 153.8 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | trans | 173.7 | 131.9 | 144.9 | -106.3 | -16 | 0 | 0 | 0 | 114.9 | N613 | N613-D639 PolarHBondContact ND2-OD1 2.93Å; N613-D639 PolarHBondContact OD1-OD1 3.37Å | ||
| 640 | E | 31.2 | Very low | 29 | Very low | 150.333 Ų | 150.333 | 150.7 Ų | 150.7 | 70% | 0.702 | 81% | 0.813 | S | S | * | * | trans | -87 | 129.7 | 176.1 | -105.3 | -171.7 | -177 | 0 | 0 | 113.5 | L611 N613 | L611-E640 HydrophobicContact CD2-CG 4.02Å; N613-E640 HydrophobicContact CB-CG 4.3Å; N613-E640 WeakPolarHBondContact OD1-CB 3.41Å; N613-E640 WeakPolarHBondContact OD1-CG 3.25Å; N613-E640 PolarHBondContact OD1-N 2.9Å | ||
| 641 | M | 30.1 | Very low | 28.9 | Very low | 178.333 Ų | 178.333 | 148.4 Ų | 148.4 | 88% | 0.878 | 81% | 0.807 | S | S | * | * | trans | -160.2 | 65.1 | 146.8 | -99 | -159.1 | 107.6 | 0 | 0 | 115.7 | ||||
| 642 | L | 29.8 | Very low | 29 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -163.4 | 104.5 | 158.4 | -71.8 | 176.5 | 0 | 0 | 0 | 115.5 | ||||
| 643 | L | 30.6 | Very low | 28.8 | Very low | 140.333 Ų | 140.333 | 147 Ų | 147 | 74% | 0.735 | 81% | 0.806 | S | S | * | * | trans | 134.1 | 106.2 | 157.7 | -68 | 171.4 | 0 | 0 | 0 | 117.6 | ||||
| 644 | K | 30.7 | Very low | 28.8 | Very low | 201.667 Ų | 201.667 | 146.7 Ų | 146.7 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | 93.5 | 101.6 | 146.8 | -68.7 | 172.3 | 179.8 | 166.2 | 0 | 116.2 | ||||
| 645 | A | 27 | Very low | 28.8 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | -142.9 | 123.7 | 121.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 646 | R | 29 | Very low | 28.9 | Very low | 238 Ų | 238 | 144.3 Ų | 144.3 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 129.4 | 164.1 | -110.8 | -176.9 | -160.2 | 175.3 | -4.5 | 113.7 | ||
| 647 | P | 28.4 | Very low | 28.8 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 145.5 | 164 | 32.9 | -30.6 | 0 | 0 | 0 | 112 | ||
| 648 | L | 28.3 | Very low | 28.7 | Very low | 174.667 Ų | 174.667 | 143.7 Ų | 143.7 | 91% | 0.914 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -109.2 | 138 | 167.7 | -78.2 | 171.5 | 0 | 0 | 0 | 111.2 | ||
| 649 | S | 26.3 | Very low | 28.6 | Very low | 109.667 Ų | 109.667 | 145.2 Ų | 145.2 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | trans | -103.4 | 130.4 | 163.9 | -176.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 650 | S | 27 | Very low | 28.4 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 70.9 | 144.6 | 152.7 | 51.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 651 | G | 26.5 | Very low | 28.3 | Very low | 65.3333 Ų | 65.3333 | 148.1 Ų | 148.1 | 67% | 0.674 | 78% | 0.784 | S | S | * | * | cis | 136.5 | 122.2 | 21.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 652 | D | 28.9 | Very low | 28.1 | Very low | 158.333 Ų | 158.333 | 147.3 Ų | 147.3 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | trans | 97.9 | 120.1 | 133.6 | -96.9 | -12.8 | 0 | 0 | 0 | 112.3 | ||||
| 653 | T | 26.8 | Very low | 28.1 | Very low | 118 Ų | 118 | 146 Ų | 146 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | trans | 40.5 | 146.5 | 149.8 | 59.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 654 | D | 28.7 | Very low | 28 | Very low | 147.333 Ų | 147.333 | 147.2 Ų | 147.2 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | trans | 155.7 | 142 | 158.6 | -96.7 | -24.9 | 0 | 0 | 0 | 111 | ||||
| 655 | V | 28.1 | Very low | 27.8 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 67% | 0.673 | 77% | 0.768 | S | S | * | * | 92.6 | 119.3 | 94.6 | 171.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 656 | D | 31.6 | Very low | 27.9 | Very low | 142.333 Ų | 142.333 | 148.7 Ų | 148.7 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | trans | 100 | 124.6 | 146.9 | -78.9 | -14 | 0 | 0 | 0 | 117.3 | ||||
| 657 | N | 25.8 | Very low | 27.7 | Very low | 128.667 Ų | 128.667 | 144.6 Ų | 144.6 | 69% | 0.688 | 76% | 0.758 | S | S | * | * | trans | -87.8 | 150.6 | 135 | -84.1 | -51.3 | 0 | 0 | 0 | 111.7 | ||||
| 658 | Y | 28.7 | Very low | 27.5 | Very low | 201 Ų | 201 | 147.8 Ų | 147.8 | 79% | 0.788 | 76% | 0.76 | S | S | * | * | trans | 157.2 | 131.3 | 137.6 | -91 | -92.5 | 0 | 0 | 0 | 114 | ||||
| 659 | E | 27.4 | Very low | 27.4 | Very low | 148.333 Ų | 148.333 | 146.2 Ų | 146.2 | 69% | 0.693 | 75% | 0.752 | S | S | * | * | trans | -128.2 | 140.5 | 153.5 | -87.7 | -172.5 | 151.3 | 0 | 0 | 115.3 | ||||
| 660 | K | 25.7 | Very low | 27.5 | Very low | 177.333 Ų | 177.333 | 147 Ų | 147 | 77% | 0.771 | 75% | 0.752 | S | S | * | * | trans | 30.5 | 127.9 | 134.5 | -67.5 | 172.7 | 179.9 | 167.1 | 0 | 115.7 | ||||
| 661 | K | 29.5 | Very low | 27.7 | Very low | 179.667 Ų | 179.667 | 148.5 Ų | 148.5 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | -158.6 | 132.2 | 99.3 | -90 | -164.6 | 172.9 | -149.9 | 0 | 109.7 | |||||
| 662 | E | 26.3 | Very low | 27.6 | Very low | 161.333 Ų | 161.333 | 152.5 Ų | 152.5 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | trans | 34.5 | 130 | 130 | -68.6 | 173.6 | 166.2 | 0 | 0 | 114.4 | ||||
| 663 | D | 28.7 | Very low | 27.4 | Very low | 128 Ų | 128 | 149.6 Ų | 149.6 | 68% | 0.684 | 75% | 0.748 | S | S | * | * | 170 | 142.8 | 110 | -113.3 | -13.1 | 0 | 0 | 0 | 116 | |||||
| 664 | K | 28.7 | Very low | 27.7 | Very low | 165 Ų | 165 | 153.6 Ų | 153.6 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | trans | 67.2 | 128.1 | 155.4 | -70.1 | 167.5 | -174.3 | 126.2 | 0 | 117.3 | ||||
| 665 | K | 25.5 | Very low | 27.7 | Very low | 184 Ų | 184 | 155.3 Ų | 155.3 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | 66.3 | 133.2 | 121.1 | -82.6 | -178.2 | 165.6 | -149 | 0 | 117.3 | |||||
| 666 | D | 29.2 | Very low | 27.9 | Very low | 144.667 Ų | 144.667 | 155.3 Ų | 155.3 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | -162.5 | 141.1 | 104.5 | -87.7 | -38.1 | 0 | 0 | 0 | 115.2 | |||||
| 667 | H | 24.9 | Very low | 27.5 | Very low | 153.333 Ų | 153.333 | 153.8 Ų | 153.8 | 71% | 0.71 | 76% | 0.762 | S | S | * | * | trans | -66.8 | 135.9 | 159.5 | -131.8 | 40.5 | 0 | 0 | 0 | 114.2 | D669 | H667-D669 IonicContact CE1-OD2 3.4Å; H667-D669 PolarHBondContact CE1-OD2 3.29Å; H667-D669 IonicContact ND1-OD2 2.7Å; H667-D669 PolarHBondContact ND1-OD2 2.81Å; H667-D669 IonicContact NE2-OD2 3.94Å | ||
| 668 | F | 25.7 | Very low | 27.6 | Very low | 189.333 Ų | 189.333 | 156.7 Ų | 156.7 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | -170.5 | 115.5 | 151 | -100.6 | -84.8 | 0 | 0 | 0 | 114 | ||||
| 669 | D | 26 | Very low | 27.3 | Very low | 140.333 Ų | 140.333 | 154.2 Ų | 154.2 | 75% | 0.75 | 77% | 0.767 | S | S | * | * | trans | -105.4 | 145.8 | 149.5 | -87.5 | -50.6 | 0 | 0 | 0 | 111.4 | H667 | H667-D669 IonicContact CE1-OD2 3.4Å; H667-D669 PolarHBondContact CE1-OD2 3.29Å; H667-D669 IonicContact ND1-OD2 2.7Å; H667-D669 PolarHBondContact ND1-OD2 2.81Å; H667-D669 IonicContact NE2-OD2 3.94Å | ||
| 670 | V | 28.1 | Very low | 27.1 | Very low | 125.667 Ų | 125.667 | 156.2 Ų | 156.2 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -117.9 | 128.1 | 170.6 | 176.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 671 | D | 29.9 | Very low | 27.2 | Very low | 150.333 Ų | 150.333 | 154.9 Ų | 154.9 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -100.7 | 149.1 | 169.9 | -163.4 | 10.8 | 0 | 0 | 0 | 112.9 | ||||
| 672 | L | 24.7 | Very low | 26.9 | Very low | 148 Ų | 148 | 153.4 Ų | 153.4 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | trans | -116.2 | 127.9 | 177 | -91.1 | 164.7 | 0 | 0 | 0 | 111.7 | K674 | L672-K674 PolarHBondContact O-N 3.5Š| ||
| 673 | S | 25.7 | Very low | 26.8 | Very low | 98 Ų | 98 | 155.3 Ų | 155.3 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | trans | 131.2 | 116.7 | 154.6 | 61.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 674 | K | 31.9 | Very low | 26.6 | Very low | 201 Ų | 201 | 157.3 Ų | 157.3 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -166.5 | 125 | 133.5 | -89.1 | 169.1 | -176.6 | 173.4 | 0 | 112.3 | L672 | L672-K674 PolarHBondContact O-N 3.5Š| ||
| 675 | E | 28.6 | Very low | 26.5 | Very low | 183.667 Ų | 183.667 | 157.1 Ų | 157.1 | 86% | 0.858 | 79% | 0.786 | S | S | * | * | trans | -47.1 | 164.3 | 174.7 | -87.5 | -167.7 | 130.3 | 0 | 0 | 117.5 | ||||
| 676 | P | 32.8 | Very low | 26.5 | Very low | 112 Ų | 112 | 157.7 Ų | 157.7 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -98.3 | 170.8 | -159.6 | 38.7 | -36.8 | 0 | 0 | 0 | 115.1 | ||||
| 677 | S | 23.2 | Very low | 26.3 | Very low | 109.667 Ų | 109.667 | 154.9 Ų | 154.9 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | trans | 174.4 | 141.5 | 169.2 | -34.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 678 | K | 27.5 | Very low | 26.4 | Very low | 190.667 Ų | 190.667 | 155.7 Ų | 155.7 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | 79.4 | 94.5 | 161.5 | -60.9 | 177.2 | -178.9 | 171.2 | 0 | 118.8 | ||||
| 679 | I | 22.3 | Very low | 26.5 | Very low | 147.667 Ų | 147.667 | 153.6 Ų | 153.6 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | 35.1 | 111.8 | 117.7 | -62.1 | 162.9 | 0 | 0 | 0 | 112.3 | I681 | I679-I681 HydrophobicContact CG2-CD1 3.74Å; I679-I681 HydrophobicContact CG2-CG1 4.15Å | |||
| 680 | F | 23.4 | Very low | 26.5 | Very low | 191.333 Ų | 191.333 | 157.3 Ų | 157.3 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | 164.8 | 107.3 | 129.8 | -112.8 | -81.1 | 0 | 0 | 0 | 111.8 | L682 | F680-L682 HydrophobicContact CE1-CD1 4.37Š| |||
| 681 | I | 27.4 | Very low | 26.3 | Very low | 148.667 Ų | 148.667 | 160.2 Ų | 160.2 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | 179.1 | 114.2 | 112.3 | -61.4 | -166.4 | 0 | 0 | 0 | 111 | I679 K683 | I679-I681 HydrophobicContact CG2-CD1 3.74Å; I679-I681 HydrophobicContact CG2-CG1 4.15Å; I681-K683 HydrophobicContact CG2-CG 4.34Å | |||
| 682 | L | 24.4 | Very low | 26.1 | Very low | 149.333 Ų | 149.333 | 157.2 Ų | 157.2 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | trans | -96.7 | 114.5 | 161.3 | -69 | 166.3 | 0 | 0 | 0 | 113.6 | F680 | F680-L682 HydrophobicContact CE1-CD1 4.37Š| ||
| 683 | K | 23.4 | Very low | 26.1 | Very low | 201.667 Ų | 201.667 | 158.1 Ų | 158.1 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | -81.5 | 121 | 120.4 | -78.5 | -170.6 | 173.8 | -175.4 | 0 | 110.7 | I681 | I681-K683 HydrophobicContact CG2-CG 4.34Š| |||
| 684 | Q | 26.1 | Very low | 26 | Very low | 168.667 Ų | 168.667 | 162.6 Ų | 162.6 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | trans | -143.9 | 136.7 | 163.8 | -149.2 | 175.2 | -6.7 | 0 | 0 | 109.1 | ||||
| 685 | E | 24.9 | Very low | 25.6 | Very low | 160.667 Ų | 160.667 | 161.3 Ų | 161.3 | 75% | 0.751 | 80% | 0.798 | S | S | * | * | trans | -114.3 | 152.5 | -147.4 | -82.9 | 153.6 | 144.6 | 0 | 0 | 110.5 | ||||
| 686 | F | 26.6 | Very low | 25.4 | Very low | 197.333 Ų | 197.333 | 158.8 Ų | 158.8 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | -100.3 | 121.4 | 167.1 | -69.3 | -83 | 0 | 0 | 0 | 110 | ||||
| 687 | S | 25 | Very low | 25 | Very low | 85.6667 Ų | 85.6667 | 162.3 Ų | 162.3 | 60% | 0.599 | 80% | 0.802 | S | S | * | * | 52.5 | 138.5 | 64 | 115.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 688 | E | 26.9 | Very low | 25 | Very low | 169.667 Ų | 169.667 | 161.7 Ų | 161.7 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | -164.1 | 139.4 | 51.4 | -88 | 142 | -136.5 | 0 | 0 | 111.5 | |||||
| 689 | D | 26.7 | Very low | 24.8 | Very low | 146 Ų | 146 | 160.6 Ų | 160.6 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | -145.5 | 118.9 | 115.1 | -132.8 | -19.8 | 0 | 0 | 0 | 108.9 | |||||
| 690 | R | 25.9 | Very low | 24.7 | Very low | 217.667 Ų | 217.667 | 159.3 Ų | 159.3 | 82% | 0.821 | 80% | 0.803 | S | S | * | * | trans | -131.2 | 121.3 | 147.7 | -107.1 | 179.3 | -152.2 | -146.6 | 2.5 | 114.2 | ||||
| 691 | Q | 25.7 | Very low | 24.8 | Very low | 186.333 Ų | 186.333 | 154.6 Ų | 154.6 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | trans | -80.8 | 127.6 | 159.4 | -73.8 | 162.5 | 17.2 | 0 | 0 | 114.5 | ||||
| 692 | A | 25.3 | Very low | 24.4 | Very low | 86.6667 Ų | 86.6667 | 152.7 Ų | 152.7 | 72% | 0.716 | 80% | 0.8 | S | S | * | * | -153.5 | 145.3 | 122.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 693 | L | 24.9 | Very low | 24.4 | Very low | 168.333 Ų | 168.333 | 151.4 Ų | 151.4 | 88% | 0.881 | 80% | 0.798 | S | S | * | * | trans | 66.5 | 95.4 | 157.5 | -59.7 | 168.5 | 0 | 0 | 0 | 118.3 | ||||
| 694 | K | 23.2 | Very low | 24.4 | Very low | 191.667 Ų | 191.667 | 146.3 Ų | 146.3 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | -119.5 | 119.1 | 121.1 | -96.7 | -169.5 | 175.8 | -175.8 | 0 | 112.3 | |||||
| 695 | M | 22.9 | Very low | 24.3 | Very low | 174.667 Ų | 174.667 | 143.7 Ų | 143.7 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | 109.4 | 151.2 | 159.9 | -67.5 | -171.5 | 172.3 | 0 | 0 | 114.5 | ||||
| 696 | V | 25.7 | Very low | 24.4 | Very low | 130.667 Ų | 130.667 | 141.8 Ų | 141.8 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | trans | 94.9 | 103.6 | 151.2 | -172.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 697 | Q | 23.1 | Very low | 24.3 | Very low | 185.667 Ų | 185.667 | 142.2 Ų | 142.2 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | -71.6 | 133.6 | 129.4 | -74.5 | -176.8 | -53.9 | 0 | 0 | 113.3 | |||||
| 698 | S | 22.4 | Very low | 24.3 | Very low | 96 Ų | 96 | 146.8 Ų | 146.8 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | trans | 97.5 | 106.7 | 156.2 | 58.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 699 | L | 24.3 | Very low | 24.2 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | trans | 164.2 | 107.9 | 135.9 | -99.1 | 124.3 | 0 | 0 | 0 | 113.6 | ||||
| 700 | S | 21.2 | Very low | 24 | Very low | 118.667 Ų | 118.667 | 144 Ų | 144 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | trans | -53.6 | 138.1 | 157.6 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 701 | A | 23.5 | Very low | 24 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -155.2 | 128.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 702 | S | 21 | Very low | 24 | Very low | 108.333 Ų | 108.333 | 139.9 Ų | 139.9 | 76% | 0.758 | 79% | 0.791 | S | S | * | * | trans | -62.2 | 142 | 166.7 | -24 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 703 | T | 23.5 | Very low | 24 | Very low | 123.333 Ų | 123.333 | 143.2 Ų | 143.2 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | trans | 107.8 | 133.1 | 145.4 | 54.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 704 | S | 22.4 | Very low | 24.1 | Very low | 93.6667 Ų | 93.6667 | 144.2 Ų | 144.2 | 66% | 0.655 | 80% | 0.796 | S | S | * | * | 88.5 | 122.1 | 94.1 | 61.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 705 | T | 24.5 | Very low | 24.2 | Very low | 113.667 Ų | 113.667 | 141.1 Ų | 141.1 | 70% | 0.697 | 80% | 0.796 | S | S | * | * | 41.9 | 148.1 | 102.4 | 29.9 | 0 | 0 | 0 | 0 | 116.7 | K707 N1481 | T705-K707 PolarHBondContact O-N 2.85Å; T705-N1481 HydrophobicContact CG2-CB 3.92Å | |||
| 706 | P | 28 | Very low | 24.2 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | -88.4 | 155.6 | -162.4 | 19.9 | -15.4 | 0 | 0 | 0 | 114.8 | ||||
| 707 | K | 25 | Very low | 24 | Very low | 205.667 Ų | 205.667 | 146 Ų | 146 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | trans | -119.1 | 144.1 | 161.5 | -90.7 | 175 | -178.8 | 173.9 | 0 | 111.7 | T705 | T705-K707 PolarHBondContact O-N 2.85Š| ||
| 708 | Q | 23.8 | Very low | 24.1 | Very low | 181.333 Ų | 181.333 | 148.4 Ų | 148.4 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | trans | -64.3 | 149.6 | 170.8 | -59.4 | 165.2 | -11.6 | 0 | 0 | 111.3 | ||||
| 709 | I | 24.4 | Very low | 24.2 | Very low | 162.667 Ų | 162.667 | 154.7 Ų | 154.7 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | 178.5 | 149.8 | 134.1 | -93.6 | 157.2 | 0 | 0 | 0 | 110.2 | ||||
| 710 | S | 23.2 | Very low | 24.1 | Very low | 94.6667 Ų | 94.6667 | 155 Ų | 155 | 66% | 0.662 | 81% | 0.809 | S | S | * | * | trans | -50.6 | 150.1 | -172.4 | 56.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 711 | K | 25.2 | Very low | 24.4 | Very low | 195.333 Ų | 195.333 | 156.7 Ų | 156.7 | 85% | 0.849 | 81% | 0.808 | S | S | * | * | 86.1 | 103.5 | 108 | -78.6 | -178.8 | 179.2 | -178.7 | 0 | 115.9 | |||||
| 712 | V | 25.7 | Very low | 24.4 | Very low | 123.667 Ų | 123.667 | 161.4 Ų | 161.4 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | 99 | 111.1 | 123.2 | -178.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 713 | N | 26.2 | Very low | 24.7 | Very low | 155.667 Ų | 155.667 | 162.2 Ų | 162.2 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | 157.8 | 104.8 | 139.7 | -83.4 | -28 | 0 | 0 | 0 | 114.1 | ||||
| 714 | Q | 26.6 | Very low | 24.8 | Very low | 189.333 Ų | 189.333 | 161.5 Ų | 161.5 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | trans | -109.1 | 134.1 | 151.4 | -82.1 | -167.3 | -13.9 | 0 | 0 | 110 | ||||
| 715 | P | 24.6 | Very low | 25 | Very low | 126.333 Ų | 126.333 | 166.4 Ų | 166.4 | 82% | 0.82 | 82% | 0.824 | S | S | * | * | trans | -97.3 | 128.8 | 164 | 30.1 | -23.5 | 0 | 0 | 0 | 112 | M717 | P715-M717 PolarHBondContact O-N 2.91Š| ||
| 716 | R | 24.1 | Very low | 25 | Very low | 233.667 Ų | 233.667 | 168.9 Ų | 168.9 | 88% | 0.882 | 83% | 0.832 | S | S | * | * | trans | -119.5 | 103.8 | 166.5 | -166 | 174.9 | -177.8 | 157.6 | -0.4 | 113.6 | ||||
| 717 | M | 21.4 | Very low | 24.8 | Very low | 174 Ų | 174 | 174 Ų | 174 | 86% | 0.857 | 84% | 0.835 | S | S | * | * | trans | -60.2 | 142.1 | 170.8 | -71.1 | -175.8 | 107.1 | 0 | 0 | 112.7 | P715 R719 | P715-M717 PolarHBondContact O-N 2.91Å; M717-R719 HydrophobicContact SD-CG 3.91Å | ||
| 718 | R | 25.5 | Very low | 24.9 | Very low | 235.667 Ų | 235.667 | 171.3 Ų | 171.3 | 89% | 0.889 | 83% | 0.831 | S | S | * | * | trans | -109.8 | 124.8 | 161 | -75.6 | -175.6 | 173.1 | -176.7 | -1.7 | 110.3 | M720 | R718-M720 PolarHBondContact O-N 3.14Š| ||
| 719 | R | 24 | Very low | 25 | Very low | 228 Ų | 228 | 169.4 Ų | 169.4 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | trans | -54.8 | 123.4 | 161.2 | -73.2 | 177.9 | 172.4 | 168.6 | -3.4 | 112.8 | M717 | M717-R719 HydrophobicContact SD-CG 3.91Š| ||
| 720 | M | 22.3 | Very low | 25 | Very low | 175.667 Ų | 175.667 | 165.7 Ų | 165.7 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | trans | -99.3 | 142.6 | 152.4 | -86.2 | -171.4 | 134.2 | 0 | 0 | 109.9 | R718 | R718-M720 PolarHBondContact O-N 3.14Š| ||
| 721 | L | 26.7 | Very low | 25.1 | Very low | 154.667 Ų | 154.667 | 170.6 Ų | 170.6 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | trans | -127 | 126.1 | -174.5 | -109.5 | 116.7 | 0 | 0 | 0 | 108.1 | ||||
| 722 | F | 24.9 | Very low | 25.2 | Very low | 192 Ų | 192 | 166 Ų | 166 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | trans | -89.8 | 144.4 | 165.8 | -79 | -86.6 | 0 | 0 | 0 | 110.5 | ||||
| 723 | P | 26.4 | Very low | 25.1 | Very low | 124.333 Ų | 124.333 | 171.7 Ų | 171.7 | 81% | 0.807 | 83% | 0.826 | S | S | * | * | trans | -113.3 | 127.8 | 159.3 | 26.3 | -16.2 | 0 | 0 | 0 | 112.3 | K725 | P723-K725 PolarHBondContact O-N 3.41Š| ||
| 724 | S | 25 | Very low | 25 | Very low | 109 Ų | 109 | 174.2 Ų | 174.2 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | trans | -83 | 130.6 | 169.7 | 53.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 725 | K | 26.5 | Very low | 25 | Very low | 197.333 Ų | 197.333 | 171.2 Ų | 171.2 | 86% | 0.858 | 82% | 0.818 | S | S | * | * | trans | -176.8 | 100 | 147.1 | -88 | 178.4 | -177.8 | -178.1 | 0 | 113.4 | P723 | P723-K725 PolarHBondContact O-N 3.41Š| ||
| 726 | L | 25.4 | Very low | 25.1 | Very low | 166 Ų | 166 | 174.3 Ų | 174.3 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | trans | -79.7 | 123.1 | 148.4 | -71.7 | 169.1 | 0 | 0 | 0 | 113.5 | ||||
| 727 | R | 24.7 | Very low | 25.3 | Very low | 228.667 Ų | 228.667 | 169.1 Ų | 169.1 | 86% | 0.863 | 81% | 0.813 | S | S | * | * | trans | -139.8 | 120.8 | 151.5 | -132.2 | -170.3 | -141.4 | -178 | -0.3 | 111.7 | ||||
| 728 | N | 26.2 | Very low | 25.7 | Very low | 149.667 Ų | 149.667 | 170 Ų | 170 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | trans | 90.4 | 106.5 | 147.5 | -75 | -7.5 | 0 | 0 | 0 | 117.8 | ||||
| 729 | V | 25.1 | Very low | 25.9 | Very low | 142 Ų | 142 | 167.6 Ų | 167.6 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | -82.4 | 125.5 | 140.2 | 178.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 730 | S | 25.6 | Very low | 26.1 | Very low | 84 Ų | 84 | 166.8 Ų | 166.8 | 59% | 0.587 | 81% | 0.805 | S | S | * | * | trans | -125.7 | 154.7 | 166.3 | 167.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 731 | Y | 24.7 | Very low | 26.6 | Very low | 198 Ų | 198 | 162.6 Ų | 162.6 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | 77.1 | 86.3 | 171.6 | -57.2 | -71.7 | 0 | 0 | 0 | 118.5 | R734 | Y731-R734 HydrophobicContact CD1-CG 3.93Å; Y731-R734 HydrophobicContact CE1-CG 4.43Å | ||
| 732 | S | 28.2 | Very low | 26.9 | Very low | 98 Ų | 98 | 163.5 Ų | 163.5 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | -148.2 | 6.6 | 138.9 | 160.7 | 0 | 0 | 0 | 0 | 115.2 | R734 T735 | S732-R734 PolarHBondContact O-N 3.02Å; S732-R734 VanDerWaalsContact O-N 3.15Å; S732-T735 PolarHBondContact O-N 3.13Å; S732-T735 PolarHBondContact O-OG1 3.07Å | ||
| 733 | W | 23.5 | Very low | 27.2 | Very low | 244.333 Ų | 244.333 | 161.3 Ų | 161.3 | 93% | 0.926 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | 41.8 | 172.5 | -103.3 | 0.1 | 0 | 0 | 0 | 115.6 | V737 | W733-V737 VanDerWaalsContact O-CG2 3.24Å; W733-V737 WeakPolarHBondContact O-CG2 3.35Å |
| 734 | R | 23.6 | Very low | 27.4 | Very low | 207 Ų | 207 | 159.6 Ų | 159.6 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.1 | 31.2 | 172.7 | -108.4 | -175.5 | -106.5 | -133.4 | 4.9 | 113.3 | Y731 S732 | Y731-R734 HydrophobicContact CD1-CG 3.93Å; Y731-R734 HydrophobicContact CE1-CG 4.43Å; S732-R734 PolarHBondContact O-N 3.02Å; S732-R734 VanDerWaalsContact O-N 3.15Å |
| 735 | T | 26.6 | Very low | 27.8 | Very low | 126 Ų | 126 | 160 Ų | 160 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -138.7 | -10.1 | 174.9 | 23.1 | 0 | 0 | 0 | 0 | 115 | S732 V737 | S732-T735 PolarHBondContact O-N 3.13Å; S732-T735 PolarHBondContact O-OG1 3.07Å; T735-V737 VanDerWaalsContact C-N 3.28Å; T735-V737 PolarHBondContact O-N 3.34Å; T735-V737 VanDerWaalsContact O-N 3.16Å |
| 736 | F | 27.7 | Very low | 28.2 | Very low | 191.667 Ų | 191.667 | 158.1 Ų | 158.1 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -76.3 | -13.7 | -177.1 | -139.9 | -98.6 | 0 | 0 | 0 | 115.2 | K738 K739 | F736-K738 PolarHBondContact O-N 3.03Å; F736-K738 VanDerWaalsContact O-N 3.16Å; F736-K739 PolarHBondContact O-N 3.29Å; F736-K739 VanDerWaalsContact O-N 3.1Å |
| 737 | V | 27.9 | Very low | 28.4 | Very low | 125 Ų | 125 | 156.5 Ų | 156.5 | 76% | 0.758 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -74 | -19.2 | -176.4 | 179.3 | 0 | 0 | 0 | 0 | 113.5 | W733 T735 K739 | W733-V737 VanDerWaalsContact O-CG2 3.24Å; W733-V737 WeakPolarHBondContact O-CG2 3.35Å; T735-V737 VanDerWaalsContact C-N 3.28Å; T735-V737 PolarHBondContact O-N 3.34Å; T735-V737 VanDerWaalsContact O-N 3.16Å; V737-K739 PolarHBondContact O-N 2.8Å |
| 738 | K | 29.4 | Very low | 28.6 | Very low | 192.667 Ų | 192.667 | 151.4 Ų | 151.4 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -95.8 | 15.1 | -177.1 | -82.2 | -169.7 | 173.7 | -176.4 | 0 | 116.6 | F736 | F736-K738 PolarHBondContact O-N 3.03Å; F736-K738 VanDerWaalsContact O-N 3.16Å |
| 739 | K | 29.6 | Very low | 28.8 | Very low | 185 Ų | 185 | 152.7 Ų | 152.7 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -127.5 | 6.6 | 177.9 | -88.6 | -171.1 | 176.7 | -179.9 | 0 | 117.3 | F736 V737 S741 | F736-K739 PolarHBondContact O-N 3.29Å; F736-K739 VanDerWaalsContact O-N 3.1Å; V737-K739 PolarHBondContact O-N 2.8Å; K739-S741 PolarHBondContact O-N 3.23Å |
| 740 | R | 29.3 | Very low | 28.9 | Very low | 212.667 Ų | 212.667 | 155.9 Ų | 155.9 | 80% | 0.803 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -7.2 | 176.6 | -138.6 | 173.7 | -178.5 | 169.5 | -0.4 | 115.6 | K742 F743 | R740-K742 PolarHBondContact O-N 3.28Å; R740-F743 HydrophobicContact CG-CB 4.38Å; R740-F743 HydrophobicContact CG-CD2 4.26Å; R740-F743 PolarHBondContact O-N 2.93Å |
| 741 | S | 31.4 | Very low | 29 | Very low | 85.6667 Ų | 85.6667 | 159.1 Ų | 159.1 | 60% | 0.599 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 15.3 | 174.4 | 83.7 | 0 | 0 | 0 | 0 | 115 | K739 | K739-S741 PolarHBondContact O-N 3.23Š|
| 742 | K | 32.7 | Very low | 29.1 | Very low | 173.667 Ų | 173.667 | 156.2 Ų | 156.2 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -115.5 | 6.9 | 173.9 | -71.1 | -164.5 | 174.6 | -170.3 | 0 | 113.5 | R740 | R740-K742 PolarHBondContact O-N 3.28Š|
| 743 | F | 31.3 | Very low | 29.2 | Very low | 147.667 Ų | 147.667 | 158.8 Ų | 158.8 | 65% | 0.648 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -99 | -30.4 | 178.3 | -137.6 | -95 | 0 | 0 | 0 | 112.9 | R740 D745 K746 F747 | R740-F743 HydrophobicContact CG-CB 4.38Å; R740-F743 HydrophobicContact CG-CD2 4.26Å; R740-F743 PolarHBondContact O-N 2.93Å; F743-D745 VanDerWaalsContact C-N 3.3Å; F743-D745 PolarHBondContact O-N 2.87Å; F743-K746 PolarHBondContact O-N 2.83Å; F743-F747 PolarHBondContact O-N 3.01Å; F743-F747 VanDerWaalsContact O-N 3.08Å |
| 744 | T | 31.7 | Very low | 29.4 | Very low | 88.3333 Ų | 88.3333 | 154 Ų | 154 | 54% | 0.542 | 73% | 0.728 | S | S | . | * | H | α-helix | trans | -65.7 | -40.7 | 174.7 | 43.6 | 0 | 0 | 0 | 0 | 112.5 | K746 F747 N748 | T744-K746 VanDerWaalsContact C-N 3.25Å; T744-K746 PolarHBondContact O-N 2.95Å; T744-K746 VanDerWaalsContact O-N 3.14Å; T744-F747 WeakPolarHBondContact O-CB 3.46Å; T744-F747 PolarHBondContact O-N 3.22Å; T744-N748 WeakPolarHBondContact O-CB 3.44Å; T744-N748 PolarHBondContact O-N 3.27Å |
| 745 | D | 33.4 | Very low | 29.5 | Very low | 116.667 Ų | 116.667 | 149.1 Ų | 149.1 | 62% | 0.624 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -71.7 | -17.2 | -179.5 | -58.5 | -8.2 | 0 | 0 | 0 | 112.9 | F743 | F743-D745 VanDerWaalsContact C-N 3.3Å; F743-D745 PolarHBondContact O-N 2.87Å |
| 746 | K | 34.2 | Very low | 29.5 | Very low | 158.333 Ų | 158.333 | 150.3 Ų | 150.3 | 69% | 0.688 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -89.6 | -26.4 | 173.1 | -129.3 | -178.5 | 179.1 | -173.2 | 0 | 112.6 | F743 T744 K749 W750 | F743-K746 PolarHBondContact O-N 2.83Å; T744-K746 VanDerWaalsContact C-N 3.25Å; T744-K746 PolarHBondContact O-N 2.95Å; T744-K746 VanDerWaalsContact O-N 3.14Å; K746-K749 CarbonylContact O-C 3.58Å; K746-K749 WeakPolarHBondContact O-CA 3.45Å; K746-K749 WeakPolarHBondContact O-CB 3.39Å; K746-K749 PolarHBondContact O-N 3.43Å; K746-W750 PolarHBondContact O-N 2.86Å; K746-W750 VanDerWaalsContact O-N 3.1Å |
| 747 | F | 28.9 | Very low | 29.5 | Very low | 131.333 Ų | 131.333 | 146.1 Ų | 146.1 | 58% | 0.576 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -71.4 | -44.8 | 176.6 | -150.2 | -97.5 | 0 | 0 | 0 | 111.2 | F743 T744 K749 W750 M751 | F743-F747 PolarHBondContact O-N 3.01Å; F743-F747 VanDerWaalsContact O-N 3.08Å; T744-F747 WeakPolarHBondContact O-CB 3.46Å; T744-F747 PolarHBondContact O-N 3.22Å; F747-K749 VanDerWaalsContact C-N 3.35Å; F747-K749 PolarHBondContact O-N 3.07Å; F747-K749 VanDerWaalsContact O-N 3.15Å; F747-W750 WeakPolarHBondContact O-CB 3.44Å; F747-W750 PolarHBondContact O-N 3.29Å; F747-M751 HydrophobicContact CD1-CG 4.22Å; F747-M751 HydrophobicContact CE1-CG 4.38Å; F747-M751 PolarHBondContact O-N 2.98Å |
| 748 | N | 29.6 | Very low | 29.5 | Very low | 121 Ų | 121 | 150 Ų | 150 | 65% | 0.647 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -70.9 | -17.1 | 176.7 | -68.9 | -5.3 | 0 | 0 | 0 | 113.3 | T744 W750 M751 N752 | T744-N748 WeakPolarHBondContact O-CB 3.44Å; T744-N748 PolarHBondContact O-N 3.27Å; N748-W750 VanDerWaalsContact C-N 3.25Å; N748-W750 PolarHBondContact O-N 3.41Å; N748-M751 PolarHBondContact O-N 2.93Å; N748-N752 PolarHBondContact O-ND2 3.46Å |
| 749 | K | 31.1 | Very low | 29.5 | Very low | 177.333 Ų | 177.333 | 149.4 Ų | 149.4 | 77% | 0.771 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -4.4 | 171.7 | -125.7 | 176.6 | -178.6 | 179.1 | 0 | 114 | K746 F747 | K746-K749 CarbonylContact O-C 3.58Å; K746-K749 WeakPolarHBondContact O-CA 3.45Å; K746-K749 WeakPolarHBondContact O-CB 3.39Å; K746-K749 PolarHBondContact O-N 3.43Å; F747-K749 VanDerWaalsContact C-N 3.35Å; F747-K749 PolarHBondContact O-N 3.07Å; F747-K749 VanDerWaalsContact O-N 3.15Å |
| 750 | W | 27.6 | Very low | 29.3 | Very low | 208.667 Ų | 208.667 | 151.5 Ų | 151.5 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -20.5 | 173.7 | -136.5 | 12.8 | 0 | 0 | 0 | 112.7 | K746 F747 N748 N752 | K746-W750 PolarHBondContact O-N 2.86Å; K746-W750 VanDerWaalsContact O-N 3.1Å; F747-W750 WeakPolarHBondContact O-CB 3.44Å; F747-W750 PolarHBondContact O-N 3.29Å; N748-W750 VanDerWaalsContact C-N 3.25Å; N748-W750 PolarHBondContact O-N 3.41Å; W750-N752 PolarHBondContact O-N 3.14Å |
| 751 | M | 26.1 | Very low | 29.2 | Very low | 151.667 Ų | 151.667 | 148.4 Ų | 148.4 | 75% | 0.747 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -84.3 | 3.5 | 179.6 | -69.2 | -64.7 | -71.1 | 0 | 0 | 114.6 | F747 N748 L753 | F747-M751 HydrophobicContact CD1-CG 4.22Å; F747-M751 HydrophobicContact CE1-CG 4.38Å; F747-M751 PolarHBondContact O-N 2.98Å; N748-M751 PolarHBondContact O-N 2.93Å; M751-L753 PolarHBondContact O-N 3.41Å |
| 752 | N | 28.2 | Very low | 29 | Very low | 138.333 Ų | 138.333 | 148.9 Ų | 148.9 | 74% | 0.74 | 73% | 0.733 | S | S | * | * | trans | -113.7 | 80.7 | 174.1 | -82.1 | -16.2 | 0 | 0 | 0 | 110.4 | N748 W750 D754 | N748-N752 PolarHBondContact O-ND2 3.46Å; W750-N752 PolarHBondContact O-N 3.14Å; N752-D754 VanDerWaalsContact C-N 3.3Å; N752-D754 PolarHBondContact O-N 2.86Å | ||
| 753 | L | 28.7 | Very low | 28.7 | Very low | 151.333 Ų | 151.333 | 147.6 Ų | 147.6 | 79% | 0.792 | 73% | 0.734 | S | S | * | * | trans | -118.7 | 85.9 | 166.8 | -137.4 | 126.3 | 0 | 0 | 0 | 109.7 | M751 S755 | M751-L753 PolarHBondContact O-N 3.41Å; L753-S755 PolarHBondContact O-N 2.76Å | ||
| 754 | D | 27.7 | Very low | 28.5 | Very low | 144.667 Ų | 144.667 | 145.9 Ų | 145.9 | 77% | 0.774 | 74% | 0.736 | S | S | * | * | trans | -49.1 | 120.1 | 173.3 | -98.5 | -26.4 | 0 | 0 | 0 | 114.4 | N752 N756 | N752-D754 VanDerWaalsContact C-N 3.3Å; N752-D754 PolarHBondContact O-N 2.86Å; D754-N756 VanDerWaalsContact C-N 3.25Å; D754-N756 PolarHBondContact O-N 3.13Å; D754-N756 VanDerWaalsContact O-N 3.09Å | ||
| 755 | S | 25.9 | Very low | 28.3 | Very low | 103.667 Ų | 103.667 | 147.9 Ų | 147.9 | 73% | 0.725 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -91.8 | 93.2 | 170.1 | 55 | 0 | 0 | 0 | 0 | 112.3 | L753 | L753-S755 PolarHBondContact O-N 2.76Š|
| 756 | N | 27.5 | Very low | 27.9 | Very low | 150.333 Ų | 150.333 | 147.7 Ų | 147.7 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | 177 | 51.4 | 170.8 | -92.4 | -40.6 | 0 | 0 | 0 | 117.2 | D754 K758 | D754-N756 VanDerWaalsContact C-N 3.25Å; D754-N756 PolarHBondContact O-N 3.13Å; D754-N756 VanDerWaalsContact O-N 3.09Å; N756-K758 PolarHBondContact O-N 3.24Å | ||
| 757 | S | 27.7 | Very low | 27.5 | Very low | 103.333 Ų | 103.333 | 149.3 Ų | 149.3 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | trans | -124.3 | 22.8 | 162.9 | 61.1 | 0 | 0 | 0 | 0 | 114.9 | Q759 R760 | S757-Q759 PolarHBondContact O-N 2.99Å; S757-Q759 VanDerWaalsContact O-N 3.14Å; S757-R760 PolarHBondContact O-N 3.49Å | ||
| 758 | K | 26.8 | Very low | 27.3 | Very low | 207 Ų | 207 | 151.1 Ų | 151.1 | 90% | 0.9 | 77% | 0.774 | S | S | * | * | H | α-helix | trans | -63 | 32.6 | 164.1 | -77.6 | -173.4 | 175.9 | -179.6 | 0 | 111.8 | N756 | N756-K758 PolarHBondContact O-N 3.24Å |
| 759 | Q | 29.2 | Very low | 27.2 | Very low | 180.333 Ų | 180.333 | 154.6 Ų | 154.6 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | H | α-helix | trans | -130.1 | 17 | -179.6 | -139.7 | 176.3 | 13 | 0 | 0 | 116 | S757 | S757-Q759 PolarHBondContact O-N 2.99Å; S757-Q759 VanDerWaalsContact O-N 3.14Å |
| 760 | R | 25.5 | Very low | 26.9 | Very low | 228.667 Ų | 228.667 | 155.1 Ų | 155.1 | 86% | 0.863 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -121.1 | -3.5 | 176.4 | -147 | 169.9 | -177.2 | 171.5 | 0.6 | 117.7 | S757 | S757-R760 PolarHBondContact O-N 3.49Š|
| 761 | I | 28.3 | Very low | 26.8 | Very low | 149 Ų | 149 | 150.9 Ų | 150.9 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | H | α-helix | trans | -106.7 | 33.4 | 177.5 | -51.6 | 178.9 | 0 | 0 | 0 | 111 | N763 T764 | I761-N763 PolarHBondContact O-N 3.44Å; I761-N763 VanDerWaalsContact O-N 3.1Å; I761-T764 PolarHBondContact O-N 2.93Å |
| 762 | S | 26.5 | Very low | 26.8 | Very low | 95.6667 Ų | 95.6667 | 151.6 Ų | 151.6 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -107.8 | -3.6 | 179.4 | 160.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 763 | N | 26.2 | Very low | 26.5 | Very low | 146 Ų | 146 | 152.3 Ų | 152.3 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -128.3 | 20.4 | -169.2 | -78.4 | -16.8 | 0 | 0 | 0 | 114.6 | I761 | I761-N763 PolarHBondContact O-N 3.44Å; I761-N763 VanDerWaalsContact O-N 3.1Å |
| 764 | T | 28.2 | Very low | 26.4 | Very low | 112 Ų | 112 | 151.4 Ų | 151.4 | 69% | 0.687 | 79% | 0.786 | S | S | * | * | H | α-helix | trans | -133 | 10.1 | 179.7 | -37.5 | 0 | 0 | 0 | 0 | 114.3 | I761 S766 | I761-T764 PolarHBondContact O-N 2.93Å; T764-S766 PolarHBondContact O-N 2.91Å |
| 765 | V | 26.6 | Very low | 26.1 | Very low | 129.667 Ų | 129.667 | 150.3 Ų | 150.3 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -95.5 | 0.6 | 173.4 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | K767 | V765-K767 PolarHBondContact O-N 3.47Š|
| 766 | S | 25.9 | Very low | 26 | Very low | 112.667 Ų | 112.667 | 149.9 Ų | 149.9 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | 56.4 | -178.8 | -55.1 | 0 | 0 | 0 | 0 | 113.1 | T764 | T764-S766 PolarHBondContact O-N 2.91Š|
| 767 | K | 25.7 | Very low | 25.8 | Very low | 193.667 Ų | 193.667 | 151.1 Ų | 151.1 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -160.7 | 37.3 | 179.5 | -96.4 | -177.8 | -179.3 | -177 | 0 | 116.4 | V765 F769 | V765-K767 PolarHBondContact O-N 3.47Å; K767-F769 PolarHBondContact O-N 3.32Å |
| 768 | M | 25.1 | Very low | 25.5 | Very low | 168 Ų | 168 | 155.3 Ų | 155.3 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -130.5 | 67.7 | 154.3 | -72.9 | -158.4 | 142.6 | 0 | 0 | 111.5 | ||
| 769 | F | 25.9 | Very low | 25.6 | Very low | 194.667 Ų | 194.667 | 150.6 Ų | 150.6 | 85% | 0.854 | 78% | 0.781 | S | S | * | * | trans | -161.7 | 92.2 | 171.4 | -72.5 | -76.4 | 0 | 0 | 0 | 111.1 | K767 | K767-F769 PolarHBondContact O-N 3.32Š| ||
| 770 | E | 25.6 | Very low | 25.3 | Very low | 187.667 Ų | 187.667 | 146.8 Ų | 146.8 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | 174.2 | 109.9 | 117.8 | -101.3 | 175 | 174.7 | 0 | 0 | 111.7 | |||||
| 771 | D | 25.9 | Very low | 25.2 | Very low | 121.333 Ų | 121.333 | 142.9 Ų | 142.9 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | trans | -102 | 149.8 | 161.1 | -103 | -19.6 | 0 | 0 | 0 | 113.7 | ||||
| 772 | K | 24.9 | Very low | 25 | Very low | 165.667 Ų | 165.667 | 142.8 Ų | 142.8 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | -175.3 | 141.6 | -155 | -78.3 | 155.4 | -167.2 | 129.4 | 0 | 114.5 | ||||
| 773 | N | 23.2 | Very low | 24.9 | Very low | 153.667 Ų | 153.667 | 147.1 Ų | 147.1 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | 53.7 | 106.6 | 159.1 | -59.1 | -12 | 0 | 0 | 0 | 117.9 | ||||
| 774 | V | 25.7 | Very low | 24.8 | Very low | 132.333 Ų | 132.333 | 145.4 Ų | 145.4 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | -134.5 | 118.7 | 139.8 | 169.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 775 | T | 22.5 | Very low | 24.5 | Very low | 121.333 Ų | 121.333 | 147.4 Ų | 147.4 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | trans | 38.1 | 110.8 | 138 | -40.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 776 | S | 23 | Very low | 24.5 | Very low | 95 Ų | 95 | 146.7 Ų | 146.7 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | 70.6 | 128.5 | 125.5 | 74.2 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 777 | M | 23.4 | Very low | 24.4 | Very low | 176 Ų | 176 | 150.4 Ų | 150.4 | 87% | 0.867 | 76% | 0.759 | S | S | * | * | trans | 69.8 | 104.4 | 146.8 | -60.3 | -170.1 | 80.3 | 0 | 0 | 116.5 | ||||
| 778 | F | 21.5 | Very low | 24.3 | Very low | 190.667 Ų | 190.667 | 148 Ų | 148 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | -96.5 | 163 | 129.2 | -92.5 | -96.3 | 0 | 0 | 0 | 110.1 | |||||
| 779 | P | 29.4 | Very low | 24.3 | Very low | 109.333 Ų | 109.333 | 148.6 Ų | 148.6 | 71% | 0.71 | 75% | 0.745 | S | S | * | * | cis | -120.9 | 166.5 | -23.5 | 35.3 | -24.3 | 0 | 0 | 0 | 115.5 | ||||
| 780 | S | 21.9 | Very low | 24.3 | Very low | 100.667 Ų | 100.667 | 148.1 Ų | 148.1 | 70% | 0.704 | 74% | 0.743 | S | S | * | * | trans | -40.6 | 127.9 | 154.2 | -39.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 781 | N | 24.2 | Very low | 24.3 | Very low | 145.667 Ų | 145.667 | 146.8 Ų | 146.8 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | -160.5 | 125.4 | 114 | -89.7 | -30.7 | 0 | 0 | 0 | 111.9 | N1335 | N781-N1335 PolarHBondContact OD1-ND2 3.41Š| |||
| 782 | Q | 23.5 | Very low | 24.2 | Very low | 147.333 Ų | 147.333 | 146.1 Ų | 146.1 | 69% | 0.688 | 74% | 0.741 | S | S | * | * | trans | -89.3 | 138.1 | 147.3 | -149.3 | 170.3 | 7.8 | 0 | 0 | 113.1 | ||||
| 783 | F | 24.2 | Very low | 24.2 | Very low | 186.333 Ų | 186.333 | 145.6 Ų | 145.6 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | trans | -146.8 | 125.2 | 158.3 | -80.9 | -70.8 | 0 | 0 | 0 | 112.2 | ||||
| 784 | H | 24.1 | Very low | 24.2 | Very low | 110.667 Ų | 110.667 | 144.6 Ų | 144.6 | 51% | 0.512 | 74% | 0.739 | S | S | . | * | trans | -65.8 | 126.1 | 158.6 | -97.6 | -68 | 0 | 0 | 0 | 112.6 | I786 E1331 N1335 | H784-I786 HydrophobicContact CB-CD1 4.47Å; H784-I786 HydrophobicContact CB-CG1 4.31Å; H784-I786 PolarHBondContact O-N 2.78Å; H784-E1331 WeakPolarHBondContact CA-OE1 3.34Å; H784-E1331 WeakPolarHBondContact CB-OE1 3.19Å; H784-E1331 VanDerWaalsContact CB-OE2 3.31Å; H784-E1331 WeakPolarHBondContact CB-OE2 3.45Å; H784-E1331 IonicContact CD2-OE2 3.93Å; H784-E1331 IonicContact CE1-OE1 3.29Å; H784-E1331 PolarHBondContact CE1-OE1 3.4Å; H784-E1331 IonicContact CG-OE1 2.73Å; H784-E1331 VanDerWaalsContact CG-OE1 3.23Å; H784-E1331 IonicContact CG-OE2 3.13Å; H784-E1331 IonicContact ND1-OE1 3.74Å; H784-E1331 PolarHBondContact ND1-OE1 3.08Å; H784-E1331 IonicContact ND1-OE2 2.62Å; H784-N1335 PolarHBondContact NE2-OD1 3.48Å | ||
| 785 | L | 22.3 | Very low | 24.1 | Very low | 152.333 Ų | 152.333 | 144.7 Ų | 144.7 | 80% | 0.798 | 73% | 0.734 | S | S | * | * | trans | -75.2 | 98.8 | 149.8 | -99.2 | 110.6 | 0 | 0 | 0 | 113.9 | K787 | L785-K787 HydrophobicContact CD2-CD 4.19Å; L785-K787 HydrophobicContact CD2-CG 4.01Å; L785-K787 PolarHBondContact O-N 2.83Å | ||
| 786 | I | 26.6 | Very low | 24.2 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 60% | 0.595 | 73% | 0.731 | S | S | * | * | trans | -124 | 102.8 | 150.6 | -65.8 | 156.6 | 0 | 0 | 0 | 109.3 | H784 M788 E1329 E1331 | H784-I786 HydrophobicContact CB-CD1 4.47Å; H784-I786 HydrophobicContact CB-CG1 4.31Å; H784-I786 PolarHBondContact O-N 2.78Å; I786-M788 HydrophobicContact CG2-CB 3.74Å; I786-M788 HydrophobicContact CG2-CG 4.04Å; I786-E1329 HydrophobicContact CD1-CB 3.39Å; I786-E1329 HydrophobicContact CD1-CG 4.21Å; I786-E1329 WeakPolarHBondContact CD1-OE2 3.46Å; I786-E1329 HydrophobicContact CG1-CB 4.45Å; I786-E1329 WeakPolarHBondContact CG1-OE2 3.29Å; I786-E1331 HydrophobicContact CD1-CB 4.48Å; I786-E1331 HydrophobicContact CD1-CG 3.48Å; I786-E1331 VanDerWaalsContact CD1-CG 3.48Å; I786-E1331 WeakPolarHBondContact CD1-OE1 3.22Å | ||
| 787 | K | 24.1 | Very low | 24.3 | Very low | 190.333 Ų | 190.333 | 143 Ų | 143 | 83% | 0.828 | 73% | 0.728 | S | S | * | * | trans | -135.1 | 94.9 | 150.4 | -86.7 | 175.6 | 177.5 | 176.6 | 0 | 108.6 | L785 | L785-K787 HydrophobicContact CD2-CD 4.19Å; L785-K787 HydrophobicContact CD2-CG 4.01Å; L785-K787 PolarHBondContact O-N 2.83Å | ||
| 788 | M | 24 | Very low | 24.4 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 70% | 0.7 | 72% | 0.723 | S | S | * | * | trans | -178.3 | 95.2 | 136.7 | -93 | -76.9 | -149.6 | 0 | 0 | 112.2 | I786 | I786-M788 HydrophobicContact CG2-CB 3.74Å; I786-M788 HydrophobicContact CG2-CG 4.04Å | ||
| 789 | R | 24.6 | Very low | 24.5 | Very low | 180.667 Ų | 180.667 | 138 Ų | 138 | 68% | 0.682 | 72% | 0.716 | S | S | * | * | trans | 72.5 | 87.6 | 158.9 | -94.6 | 176.3 | 179.5 | 163.2 | -1.1 | 115.4 | ||||
| 790 | K | 24.8 | Very low | 24.3 | Very low | 185.333 Ų | 185.333 | 137.3 Ų | 137.3 | 81% | 0.806 | 71% | 0.713 | S | S | * | * | -178.2 | 95.8 | 129.4 | -78.9 | -165.7 | 177 | -171 | 0 | 110.6 | |||||
| 791 | I | 25.8 | Very low | 24.4 | Very low | 160.333 Ų | 160.333 | 139.2 Ų | 139.2 | 82% | 0.822 | 72% | 0.716 | S | S | * | * | trans | 162.3 | 90.2 | 159.1 | -66.4 | 155.3 | 0 | 0 | 0 | 107.2 | ||||
| 792 | T | 25.2 | Very low | 24.5 | Very low | 106.667 Ų | 106.667 | 140.2 Ų | 140.2 | 65% | 0.654 | 72% | 0.716 | S | S | * | * | trans | -155.1 | 80.3 | 159.7 | -19.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 793 | N | 24.1 | Very low | 24.5 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 83% | 0.829 | 72% | 0.72 | S | S | * | * | trans | -154.8 | 64.1 | 145.8 | -112.5 | 24.1 | 0 | 0 | 0 | 113 | ||||
| 794 | L | 23 | Very low | 24.5 | Very low | 131.667 Ų | 131.667 | 137.2 Ų | 137.2 | 69% | 0.689 | 72% | 0.717 | S | S | * | * | trans | -166.3 | 56.7 | 179.4 | -119.8 | 81.1 | 0 | 0 | 0 | 113.2 | L1099 Y1173 | L794-L1099 HydrophobicContact CD2-CD1 3.7Å; L794-L1099 HydrophobicContact CG-CD1 4.35Å; L794-Y1173 HydrophobicContact CD2-CE2 3.85Å | ||
| 795 | I | 24.7 | Very low | 24.5 | Very low | 134.333 Ų | 134.333 | 137.4 Ų | 137.4 | 69% | 0.689 | 73% | 0.73 | S | S | * | * | trans | -136 | 81 | 150.1 | -39.7 | -179.3 | 0 | 0 | 0 | 109 | Q1103 T1106 | I795-Q1103 HydrophobicContact CG2-CB 4.32Å; I795-Q1103 HydrophobicContact CG2-CG 4.44Å; I795-Q1103 VanDerWaalsContact CG2-OE1 3.23Å; I795-Q1103 PolarHBondContact O-NE2 2.96Å; I795-Q1103 PolarHBondContact O-OE1 3.37Å; I795-T1106 HydrophobicContact CD1-CG2 4.19Å; I795-T1106 WeakPolarHBondContact CD1-OG1 3.39Å | ||
| 796 | S | 24.2 | Very low | 24.5 | Very low | 96.3333 Ų | 96.3333 | 135.3 Ų | 135.3 | 67% | 0.674 | 73% | 0.728 | S | S | * | * | trans | 163.6 | 116.9 | 150.5 | 48 | 0 | 0 | 0 | 0 | 114.3 | L1099 Q1103 | S796-L1099 WeakPolarHBondContact OG-CG 3.17Å; S796-Q1103 VanDerWaalsContact C-CD 3.48Å; S796-Q1103 VanDerWaalsContact CA-OE1 3.24Å; S796-Q1103 VanDerWaalsContact O-CD 3.22Å; S796-Q1103 PolarHBondContact O-NE2 3.49Å; S796-Q1103 PolarHBondContact O-OE1 3.27Å; S796-Q1103 PolarHBondContact OG-OE1 3.41Å | ||
| 797 | S | 23.7 | Very low | 24.3 | Very low | 86.3333 Ų | 86.3333 | 137.6 Ų | 137.6 | 60% | 0.604 | 74% | 0.741 | S | S | * | * | trans | 146.6 | 87.3 | 154.8 | 7.4 | 0 | 0 | 0 | 0 | 115.2 | S1100 Q1103 | S797-S1100 WeakPolarHBondContact OG-CA 3.36Å; S797-Q1103 WeakPolarHBondContact O-CG 3.27Å; S797-Q1103 PolarHBondContact O-NE2 2.82Å; S797-Q1103 PolarHBondContact O-OE1 3.5Å; S797-Q1103 VanDerWaalsContact OG-CB 3.31Å; S797-Q1103 WeakPolarHBondContact OG-CB 3.45Å; S797-Q1103 PolarHBondContact OG-OE1 3.42Å | ||
| 798 | I | 26.1 | Very low | 24.4 | Very low | 151.667 Ų | 151.667 | 134.7 Ų | 134.7 | 78% | 0.778 | 74% | 0.739 | S | S | * | * | trans | -149.5 | 98.9 | 133.7 | -76.5 | 163.5 | 0 | 0 | 0 | 105.5 | ||||
| 799 | T | 24.1 | Very low | 24.4 | Very low | 109.667 Ų | 109.667 | 133 Ų | 133 | 67% | 0.673 | 74% | 0.741 | S | S | * | * | trans | -104.1 | 94.6 | 142.5 | 54.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 800 | S | 23.9 | Very low | 24.4 | Very low | 94.3333 Ų | 94.3333 | 129.5 Ų | 129.5 | 66% | 0.66 | 74% | 0.744 | S | S | * | * | trans | 160.4 | 127.5 | 152 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 801 | N | 25.5 | Very low | 24.3 | Very low | 140.75 Ų | 140.75 | 126.5 Ų | 126.5 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | trans | 129.1 | 138.7 | 133.5 | -74.6 | 3 | 0 | 0 | 0 | 115 | L803 | N801-L803 PolarHBondContact O-N 2.8Š| ||
| 802 | E | 25.6 | Very low | 24.2 | Very low | 167 Ų | 167 | 125.5 Ų | 125.5 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | 59.3 | 125.7 | 123.8 | -78.1 | 162.7 | 150.4 | 0 | 0 | 116.7 | |||||
| 803 | L | 23.6 | Very low | 24.2 | Very low | 149.25 Ų | 149.25 | 127 Ų | 127 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | 60.9 | 108.8 | 128.9 | -74.6 | 171.8 | 0 | 0 | 0 | 116.4 | N801 | N801-L803 PolarHBondContact O-N 2.8Š| |||
| 804 | T | 24 | Very low | 24.1 | Very low | 121.25 Ų | 121.25 | 129.7 Ų | 129.7 | 74% | 0.744 | 74% | 0.74 | S | S | * | * | trans | 37.8 | 117.9 | 131.8 | 60.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 805 | S | 24 | Very low | 24.2 | Very low | 113.25 Ų | 113.25 | 130.1 Ų | 130.1 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | 120.7 | 138.5 | 91.9 | 66.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 806 | S | 23.4 | Very low | 24.2 | Very low | 109.25 Ų | 109.25 | 129.2 Ų | 129.2 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | trans | -151.8 | 129.6 | 149.5 | 133.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 807 | L | 22 | Very low | 24.1 | Very low | 164.5 Ų | 164.5 | 132.8 Ų | 132.8 | 86% | 0.861 | 75% | 0.748 | S | S | * | * | trans | -130.7 | 141.9 | 144.6 | -97.9 | 125.7 | 0 | 0 | 0 | 110 | ||||
| 808 | V | 25 | Very low | 24.2 | Very low | 128.25 Ų | 128.25 | 133.6 Ų | 133.6 | 78% | 0.777 | 75% | 0.753 | S | S | * | * | trans | 141.1 | 130.8 | 136.8 | 165.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 809 | S | 23.9 | Very low | 24.1 | Very low | 106.75 Ų | 106.75 | 136.6 Ų | 136.6 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | trans | -55.3 | 140 | 152.6 | 125.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 810 | S | 24.9 | Very low | 24.2 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -153.1 | 135.1 | 137.8 | -7.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 811 | T | 23.3 | Very low | 24.1 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -18.5 | 132.5 | 145 | 51.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 812 | D | 24.3 | Very low | 24.2 | Very low | 140.25 Ų | 140.25 | 138.3 Ų | 138.3 | 75% | 0.75 | 76% | 0.759 | S | S | * | * | -167.5 | 140.1 | 111.1 | -111 | -24.3 | 0 | 0 | 0 | 113.5 | |||||
| 813 | L | 24.4 | Very low | 24.2 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | trans | 24.3 | 135.3 | 146.6 | -75.5 | 166.4 | 0 | 0 | 0 | 116.5 | ||||
| 814 | R | 23.4 | Very low | 24.3 | Very low | 210.75 Ų | 210.75 | 137.5 Ų | 137.5 | 80% | 0.795 | 76% | 0.759 | S | S | * | * | trans | 125.2 | 139.4 | 157.2 | -79.4 | 163.4 | -176 | -171.5 | 3 | 114.2 | ||||
| 815 | I | 23.4 | Very low | 24.3 | Very low | 140.25 Ų | 140.25 | 139.9 Ų | 139.9 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | 88.8 | 140.6 | 115.8 | -76 | 162.2 | 0 | 0 | 0 | 112.3 | |||||
| 816 | T | 25 | Very low | 24.4 | Very low | 115.5 Ų | 115.5 | 140.5 Ų | 140.5 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | trans | 83.5 | 133.4 | 162.5 | 58.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 817 | H | 23.6 | Very low | 24.5 | Very low | 171 Ų | 171 | 143.1 Ų | 143.1 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | cis | -152.9 | 149.4 | 28 | -91.8 | -62 | 0 | 0 | 0 | 113.2 | ||||
| 818 | S | 25 | Very low | 24.7 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | 135.8 | 127.1 | 129.8 | -33.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 819 | R | 24.8 | Very low | 24.7 | Very low | 216.25 Ų | 216.25 | 141.8 Ų | 141.8 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | 75.9 | 117 | 100.9 | -140.2 | -178.7 | 178 | 138.4 | 19.4 | 116.2 | |||||
| 820 | E | 24.4 | Very low | 24.8 | Very low | 147.5 Ų | 147.5 | 142.2 Ų | 142.2 | 69% | 0.689 | 74% | 0.744 | S | S | * | * | -172.7 | 152 | 68.7 | -123.5 | 168.1 | -177.8 | 0 | 0 | 114.4 | |||||
| 821 | L | 23.3 | Very low | 24.8 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | trans | 68.1 | 100.7 | 156.8 | -96.9 | 147.2 | 0 | 0 | 0 | 117.9 | ||||
| 822 | A | 26.4 | Very low | 24.9 | Very low | 87 Ų | 87 | 142 Ų | 142 | 72% | 0.719 | 74% | 0.742 | S | S | * | * | 73.5 | 124.5 | 116.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 823 | K | 25.3 | Very low | 25.1 | Very low | 198.5 Ų | 198.5 | 141.2 Ų | 141.2 | 86% | 0.863 | 74% | 0.742 | S | S | * | * | trans | 124.4 | 131.8 | 131.4 | -88.5 | 173.9 | -178.4 | 179.5 | 0 | 114.3 | ||||
| 824 | S | 26.5 | Very low | 25.1 | Very low | 99.75 Ų | 99.75 | 142.1 Ų | 142.1 | 70% | 0.698 | 74% | 0.743 | S | S | * | * | 129.8 | 135.2 | 128.8 | 55.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 825 | Q | 24.3 | Very low | 25.3 | Very low | 171.25 Ų | 171.25 | 139.9 Ų | 139.9 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | 93.5 | 145.6 | 63.9 | -68.6 | -158.9 | -85.4 | 0 | 0 | 114.5 | |||||
| 826 | N | 26.8 | Very low | 25.5 | Very low | 127.75 Ų | 127.75 | 139.9 Ų | 139.9 | 68% | 0.683 | 74% | 0.742 | S | S | * | * | trans | 94.5 | 124.4 | 146.2 | -64.9 | 9.7 | 0 | 0 | 0 | 112.2 | ||||
| 827 | E | 24.9 | Very low | 25.6 | Very low | 163 Ų | 163 | 138.4 Ų | 138.4 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | 75.5 | 125.3 | 95.1 | -76 | 173.5 | -164.4 | 0 | 0 | 112.8 | |||||
| 828 | D | 26.3 | Very low | 25.7 | Very low | 135.75 Ų | 135.75 | 135 Ų | 135 | 73% | 0.726 | 74% | 0.737 | S | S | * | * | cis | 176.3 | 152.5 | 31.5 | -95.4 | -35 | 0 | 0 | 0 | 109.6 | ||||
| 829 | D | 25.5 | Very low | 25.8 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 69% | 0.69 | 74% | 0.742 | S | S | * | * | 124.2 | 149.3 | 118.6 | -104.2 | -10.9 | 0 | 0 | 0 | 116.6 | |||||
| 830 | V | 25.7 | Very low | 25.7 | Very low | 114.75 Ų | 114.75 | 134.7 Ų | 134.7 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | 134.9 | 129.7 | 66.1 | 127.4 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 831 | V | 25.2 | Very low | 25.7 | Very low | 121.75 Ų | 121.75 | 136.9 Ų | 136.9 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | 79.9 | 124.5 | 126.3 | 164.4 | 0 | 0 | 0 | 0 | 115.8 | V833 | V831-V833 HydrophobicContact CG1-CG2 3.95Š| |||
| 832 | S | 24.9 | Very low | 25.8 | Very low | 104.5 Ų | 104.5 | 136.8 Ų | 136.8 | 73% | 0.731 | 74% | 0.743 | S | S | * | * | -172.3 | 141.9 | 83.6 | -8.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 833 | V | 27.2 | Very low | 25.7 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | 72 | 132.2 | 102 | 175.3 | 0 | 0 | 0 | 0 | 112 | V831 | V831-V833 HydrophobicContact CG1-CG2 3.95Š| |||
| 834 | E | 24.5 | Very low | 25.6 | Very low | 159.75 Ų | 159.75 | 134.2 Ų | 134.2 | 75% | 0.746 | 74% | 0.742 | S | S | * | * | -74.1 | 148.3 | 119.4 | -102.5 | 163.9 | 179.5 | 0 | 0 | 113.6 | |||||
| 835 | H | 28.4 | Very low | 25.6 | Very low | 162.75 Ų | 162.75 | 134.3 Ų | 134.3 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | trans | -150 | 133.7 | 147.2 | -83.4 | -67.1 | 0 | 0 | 0 | 112.1 | A837 | H835-A837 PolarHBondContact O-N 3.47Š| ||
| 836 | D | 27.9 | Very low | 25.6 | Very low | 141.5 Ų | 141.5 | 133.7 Ų | 133.7 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | -115.5 | 153 | 71.2 | -95 | -30.6 | 0 | 0 | 0 | 114.5 | |||||
| 837 | A | 26.6 | Very low | 25.5 | Very low | 84.5 Ų | 84.5 | 133.5 Ų | 133.5 | 70% | 0.698 | 75% | 0.748 | S | S | * | * | trans | -90.4 | 150.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | H835 | H835-A837 PolarHBondContact O-N 3.47Š| ||
| 838 | S | 26 | Very low | 25.5 | Very low | 98.5 Ų | 98.5 | 132 Ų | 132 | 69% | 0.689 | 75% | 0.75 | S | S | * | * | trans | -104.8 | 152.6 | 175.2 | 54.6 | 0 | 0 | 0 | 0 | 113 | E1517 E1518 N1519 | S838-E1517 CarbonylContact O-C 2.99Å; S838-E1518 CarbonylContact C-O 3.56Å; S838-E1518 CarbonylContact O-C 3.57Å; S838-E1518 WeakPolarHBondContact O-CA 3.39Å; S838-E1518 PolarHBondContact O-N 3.12Å; S838-E1518 VanDerWaalsContact O-O 3.1Å; S838-N1519 PolarHBondContact O-N 3.46Å; S838-N1519 VanDerWaalsContact OG-C 3.28Å; S838-N1519 PolarHBondContact OG-O 3.4Å | ||
| 839 | L | 25.9 | Very low | 25.5 | Very low | 155.5 Ų | 155.5 | 130.6 Ų | 130.6 | 81% | 0.814 | 75% | 0.748 | S | S | * | * | trans | -80.6 | 140 | 149.9 | -85.8 | 143.9 | 0 | 0 | 0 | 115.9 | E1518 N1519 L1520 | L839-E1518 WeakPolarHBondContact CB-O 3.48Å; L839-E1518 WeakPolarHBondContact CG-O 3.49Å; L839-E1518 VanDerWaalsContact N-C 3.27Å; L839-E1518 PolarHBondContact N-O 2.62Å; L839-N1519 VanDerWaalsContact CA-O 3.27Å; L839-N1519 WeakPolarHBondContact CA-O 3.48Å; L839-N1519 PolarHBondContact N-O 3.5Å; L839-L1520 HydrophobicContact CD2-CB 4.29Å; L839-L1520 HydrophobicContact CD2-CD1 3.64Å; L839-L1520 HydrophobicContact CD2-CG 3.97Å | ||
| 840 | K | 24.6 | Very low | 25.4 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 68% | 0.683 | 75% | 0.753 | S | S | * | * | 130.3 | 119.6 | 120.2 | -124.4 | -174.3 | 179.5 | 160.4 | 0 | 116.4 | N842 L1520 | K840-N842 PolarHBondContact O-N 2.98Å; K840-L1520 HydrophobicContact CB-CB 4.45Å; K840-L1520 HydrophobicContact CD-CB 3.81Å; K840-L1520 HydrophobicContact CD-CD1 4.18Å; K840-L1520 HydrophobicContact CG-CB 4.28Å; K840-L1520 PolarHBondContact NZ-O 3.08Å | |||
| 841 | F | 23.5 | Very low | 25.2 | Very low | 193.75 Ų | 193.75 | 134.2 Ų | 134.2 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | trans | 135.4 | 136.7 | 154.8 | -87.3 | -92.5 | 0 | 0 | 0 | 115.3 | ||||
| 842 | N | 24.6 | Very low | 25.1 | Very low | 145.5 Ų | 145.5 | 132.5 Ų | 132.5 | 78% | 0.778 | 76% | 0.762 | S | S | * | * | trans | -116.4 | 153.8 | 167.7 | -108 | -8.6 | 0 | 0 | 0 | 110.8 | K840 | K840-N842 PolarHBondContact O-N 2.98Š| ||
| 843 | P | 24.8 | Very low | 25.1 | Very low | 116.5 Ų | 116.5 | 133.7 Ų | 133.7 | 76% | 0.756 | 77% | 0.765 | S | S | * | * | trans | -103.6 | 148.8 | -165.5 | 37.3 | -29.3 | 0 | 0 | 0 | 114.2 | ||||
| 844 | S | 23.8 | Very low | 24.9 | Very low | 113.25 Ų | 113.25 | 134.3 Ų | 134.3 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | -176.9 | 128.3 | 172.5 | 46.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 845 | S | 26 | Very low | 24.9 | Very low | 102.75 Ų | 102.75 | 131.1 Ų | 131.1 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | trans | -172.8 | 123.9 | 168 | 60 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 846 | L | 23.5 | Very low | 24.6 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | 70.9 | 132.8 | 120.5 | -126.2 | 71.9 | 0 | 0 | 0 | 116.5 | |||||
| 847 | T | 26.2 | Very low | 24.5 | Very low | 125.5 Ų | 125.5 | 129.9 Ų | 129.9 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -148.5 | 145.9 | 138.8 | 26.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 848 | T | 24 | Very low | 24.3 | Very low | 131.5 Ų | 131.5 | 130.9 Ų | 130.9 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | -70.7 | 168 | 167.6 | 41.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 849 | P | 26.5 | Very low | 24.1 | Very low | 105.75 Ų | 105.75 | 131.5 Ų | 131.5 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | cis | -147.9 | 170.6 | 41 | 42.4 | -22.6 | 0 | 0 | 0 | 119.1 | ||||
| 850 | N | 23.3 | Very low | 24.2 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | 65.4 | 117.5 | 143.5 | -69.7 | -10.4 | 0 | 0 | 0 | 122.1 | ||||
| 851 | L | 22.7 | Very low | 24.2 | Very low | 170.25 Ų | 170.25 | 126.8 Ų | 126.8 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | 139 | 129.3 | 122.8 | -131.1 | 71.2 | 0 | 0 | 0 | 116.3 | |||||
| 852 | A | 22.9 | Very low | 24.3 | Very low | 87.75 Ų | 87.75 | 122.6 Ų | 122.6 | 73% | 0.725 | 77% | 0.774 | S | S | * | * | trans | -99.7 | 128.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 853 | T | 24.1 | Very low | 24.3 | Very low | 129.25 Ų | 129.25 | 122.4 Ų | 122.4 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | trans | 77.7 | 88.8 | 149.1 | -17.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 854 | T | 23.5 | Very low | 24.3 | Very low | 133.5 Ų | 133.5 | 125.4 Ų | 125.4 | 82% | 0.819 | 78% | 0.775 | S | S | * | * | 62.7 | 118.5 | 124.7 | 49.4 | 0 | 0 | 0 | 0 | 113.9 | S856 | T854-S856 PolarHBondContact O-N 3.16Š| |||
| 855 | A | 23.6 | Very low | 24.5 | Very low | 93.75 Ų | 93.75 | 126.1 Ų | 126.1 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | 168.7 | 131.8 | 124.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L857 | A855-L857 PolarHBondContact O-N 2.92Š| |||
| 856 | S | 23.7 | Very low | 24.6 | Very low | 110.25 Ų | 110.25 | 127.2 Ų | 127.2 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | trans | -90.2 | 131.7 | 172.3 | 29.7 | 0 | 0 | 0 | 0 | 112.5 | T854 S858 | T854-S856 PolarHBondContact O-N 3.16Å; S856-S858 PolarHBondContact O-N 2.96Å | ||
| 857 | L | 24.1 | Very low | 24.7 | Very low | 168.25 Ų | 168.25 | 125.8 Ų | 125.8 | 88% | 0.881 | 77% | 0.774 | S | S | * | * | trans | 35.4 | 116 | 140.3 | -63.3 | 170.3 | 0 | 0 | 0 | 114.7 | A855 | A855-L857 PolarHBondContact O-N 2.92Š| ||
| 858 | S | 22.7 | Very low | 24.7 | Very low | 105.25 Ų | 105.25 | 124.2 Ų | 124.2 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | -143.7 | 134.2 | 133.1 | 32.8 | 0 | 0 | 0 | 0 | 111.6 | S856 | S856-S858 PolarHBondContact O-N 2.96Š| ||
| 859 | S | 22.4 | Very low | 24.9 | Very low | 110.25 Ų | 110.25 | 124.6 Ų | 124.6 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | trans | -67.1 | 170.8 | 177.6 | -47.1 | 0 | 0 | 0 | 0 | 113 | S861 | S859-S861 PolarHBondContact O-N 2.94Š| ||
| 860 | P | 27.3 | Very low | 25 | Very low | 120.5 Ų | 120.5 | 127 Ų | 127 | 78% | 0.782 | 77% | 0.772 | S | S | * | * | trans | -105.6 | 160.1 | -152.6 | 37.7 | -30.9 | 0 | 0 | 0 | 113.3 | ||||
| 861 | S | 24.1 | Very low | 25.2 | Very low | 95 Ų | 95 | 127.2 Ų | 127.2 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | trans | -133.5 | 136.8 | 160.6 | 62.6 | 0 | 0 | 0 | 0 | 115.1 | S859 | S859-S861 PolarHBondContact O-N 2.94Š| ||
| 862 | S | 26.1 | Very low | 25.5 | Very low | 104.25 Ų | 104.25 | 125.5 Ų | 125.5 | 73% | 0.729 | 76% | 0.76 | S | S | * | * | trans | 39.1 | 134.7 | 154 | 61.2 | 0 | 0 | 0 | 0 | 117.2 | K864 | S862-K864 PolarHBondContact O-N 3.31Š| ||
| 863 | D | 25.7 | Very low | 25.7 | Very low | 141 Ų | 141 | 128.2 Ų | 128.2 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | -104.3 | 142.5 | 88.3 | -107 | -24.7 | 0 | 0 | 0 | 113.2 | |||||
| 864 | K | 25.2 | Very low | 25.7 | Very low | 180.75 Ų | 180.75 | 127.5 Ų | 127.5 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | -49.4 | 132.9 | 162.4 | -87.4 | 167.5 | -176.3 | 131.5 | 0 | 114.4 | S862 | S862-K864 PolarHBondContact O-N 3.31Š| ||
| 865 | T | 27.1 | Very low | 25.7 | Very low | 128.5 Ų | 128.5 | 125.5 Ų | 125.5 | 79% | 0.788 | 76% | 0.759 | S | S | * | * | trans | -123.5 | 145.6 | 131.3 | 29.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 866 | T | 27.3 | Very low | 25.9 | Very low | 124.5 Ų | 124.5 | 127.2 Ų | 127.2 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | trans | -63.5 | 133.6 | 164.1 | 37.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 867 | V | 25.6 | Very low | 25.9 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | 128.9 | 128.4 | 90.6 | 160.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 868 | S | 27 | Very low | 25.9 | Very low | 93.5 Ų | 93.5 | 122.7 Ų | 122.7 | 65% | 0.654 | 75% | 0.754 | S | S | * | * | trans | 105.6 | 145.1 | 151.8 | -52.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 869 | D | 28.4 | Very low | 26 | Very low | 139 Ų | 139 | 127 Ų | 127 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | 174.6 | 150.5 | 54 | -84.9 | -32 | 0 | 0 | 0 | 110 | |||||
| 870 | L | 29.3 | Very low | 26 | Very low | 155.75 Ų | 155.75 | 126.4 Ų | 126.4 | 82% | 0.815 | 76% | 0.764 | S | S | * | * | -172.2 | 134.4 | 70.2 | -105.7 | 170.1 | 0 | 0 | 0 | 113.6 | |||||
| 871 | Q | 27.3 | Very low | 25.9 | Very low | 152.25 Ų | 152.25 | 127 Ų | 127 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | -70.5 | 155.3 | 167 | -105.3 | 133 | -27.4 | 0 | 0 | 113.5 | ||||
| 872 | D | 27.3 | Very low | 25.9 | Very low | 135.25 Ų | 135.25 | 128.9 Ų | 128.9 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | 141 | 145 | 121.3 | -93.9 | -31.9 | 0 | 0 | 0 | 117.7 | |||||
| 873 | N | 27.4 | Very low | 25.8 | Very low | 144.5 Ų | 144.5 | 132.5 Ų | 132.5 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -135.9 | 119.3 | 161.9 | -65.3 | -70.7 | 0 | 0 | 0 | 113.9 | ||||
| 874 | S | 25 | Very low | 25.8 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | -133.8 | 133.4 | 129.8 | 56 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 875 | A | 24.4 | Very low | 25.8 | Very low | 92 Ų | 92 | 131 Ų | 131 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | 114.4 | 139.9 | 146.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 876 | T | 26.5 | Very low | 25.8 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | 86.1 | 117.4 | 156.3 | 6.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 877 | S | 24.8 | Very low | 25.7 | Very low | 115.25 Ų | 115.25 | 131.1 Ų | 131.1 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | trans | 54.7 | 133.1 | 130.1 | 66.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 878 | G | 23.6 | Very low | 25.7 | Very low | 69.75 Ų | 69.75 | 131.7 Ų | 131.7 | 72% | 0.719 | 75% | 0.753 | S | S | * | * | 106.7 | 85.9 | 122.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 879 | Q | 24.8 | Very low | 25.5 | Very low | 195.75 Ų | 195.75 | 134.3 Ų | 134.3 | 92% | 0.915 | 76% | 0.76 | S | S | * | * | trans | 132.3 | 126.6 | 134.3 | -90.6 | 176.2 | -19.5 | 0 | 0 | 112.8 | V881 | Q879-V881 PolarHBondContact O-N 2.75Š| ||
| 880 | A | 22.1 | Very low | 25.4 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | trans | -106.3 | 145 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 881 | V | 26.1 | Very low | 25.1 | Very low | 134 Ų | 134 | 135.3 Ų | 135.3 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | trans | -145 | 133.9 | 160.5 | 168.3 | 0 | 0 | 0 | 0 | 110.8 | Q879 | Q879-V881 PolarHBondContact O-N 2.75Š| ||
| 882 | L | 24 | Very low | 24.9 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | trans | -90.9 | 165.7 | -163.7 | -121.4 | 90.2 | 0 | 0 | 0 | 111.1 | N884 | L882-N884 HydrophobicContact CD2-CB 4.01Š| ||
| 883 | F | 23.1 | Very low | 24.8 | Very low | 179 Ų | 179 | 131.1 Ų | 131.1 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | 42.2 | 132.3 | 159 | -62.9 | -88.8 | 0 | 0 | 0 | 114.2 | ||||
| 884 | N | 26.1 | Very low | 24.6 | Very low | 125.75 Ų | 125.75 | 132.4 Ų | 132.4 | 67% | 0.672 | 76% | 0.764 | S | S | * | * | 136.6 | 124 | 70.4 | -140.1 | 20 | 0 | 0 | 0 | 112.8 | L882 N886 | L882-N884 HydrophobicContact CD2-CB 4.01Å; N884-N886 PolarHBondContact ND2-OD1 3.14Å; N884-N886 PolarHBondContact O-N 2.9Å; N884-N886 PolarHBondContact OD1-ND2 3.46Å | |||
| 885 | E | 24.6 | Very low | 24.6 | Very low | 164.25 Ų | 164.25 | 134.2 Ų | 134.2 | 77% | 0.768 | 76% | 0.764 | S | S | * | * | trans | -81.2 | 136.2 | 146.1 | -65.9 | -149.7 | 152.2 | 0 | 0 | 111.5 | ||||
| 886 | N | 26.8 | Very low | 24.6 | Very low | 110.75 Ų | 110.75 | 140.8 Ų | 140.8 | 59% | 0.592 | 77% | 0.77 | S | S | * | * | -149 | 135.7 | -103.9 | -103.3 | -30.2 | 0 | 0 | 0 | 111.5 | N884 I888 | N884-N886 PolarHBondContact ND2-OD1 3.14Å; N884-N886 PolarHBondContact O-N 2.9Å; N884-N886 PolarHBondContact OD1-ND2 3.46Å; N886-I888 PolarHBondContact O-N 2.87Å; N886-I888 VanDerWaalsContact O-N 3.14Å | |||
| 887 | L | 24.9 | Very low | 24.5 | Very low | 145.25 Ų | 145.25 | 143.2 Ų | 143.2 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | 39.3 | 125.2 | 145.1 | -64.7 | 153.1 | 0 | 0 | 0 | 119.2 | ||||
| 888 | I | 26.1 | Very low | 24.5 | Very low | 140 Ų | 140 | 143.1 Ų | 143.1 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | 144 | 115.2 | 120.3 | -69.2 | 165.8 | 0 | 0 | 0 | 113.3 | N886 I890 | N886-I888 PolarHBondContact O-N 2.87Å; N886-I888 VanDerWaalsContact O-N 3.14Å; I888-I890 HydrophobicContact CG2-CG1 4.39Å; I888-I890 PolarHBondContact O-N 3.47Å | |||
| 889 | N | 23.9 | Very low | 24.5 | Very low | 148.75 Ų | 148.75 | 149.2 Ų | 149.2 | 80% | 0.795 | 77% | 0.766 | S | S | * | * | 30.3 | 140.5 | 120 | -131 | -7.4 | 0 | 0 | 0 | 114.2 | Q891 | N889-Q891 PolarHBondContact O-N 3.46Š| |||
| 890 | I | 24.3 | Very low | 24.5 | Very low | 137.75 Ų | 137.75 | 147.2 Ų | 147.2 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | -125.4 | 120.6 | 178 | -76.7 | 172.9 | 0 | 0 | 0 | 111.9 | I888 | I888-I890 HydrophobicContact CG2-CG1 4.39Å; I888-I890 PolarHBondContact O-N 3.47Å | ||
| 891 | Q | 23.7 | Very low | 24.7 | Very low | 177 Ų | 177 | 149 Ų | 149 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | trans | 28.1 | 113.2 | 146.8 | -79.3 | 172.8 | -25.3 | 0 | 0 | 118.6 | N889 A893 | N889-Q891 PolarHBondContact O-N 3.46Å; Q891-A893 PolarHBondContact O-N 2.97Å; Q891-A893 VanDerWaalsContact O-N 3.15Å | ||
| 892 | S | 22.8 | Very low | 24.8 | Very low | 107.25 Ų | 107.25 | 148.9 Ų | 148.9 | 75% | 0.75 | 75% | 0.748 | S | S | * | * | trans | 20.1 | 120.4 | 143.1 | 63.5 | 0 | 0 | 0 | 0 | 116.9 | Q894 | S892-Q894 PolarHBondContact O-N 3.24Å; S892-Q894 VanDerWaalsContact O-N 3.12Å | ||
| 893 | A | 24.9 | Very low | 24.9 | Very low | 92 Ų | 92 | 149.5 Ų | 149.5 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | trans | -4.3 | 103.9 | 153.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q891 N895 | Q891-A893 PolarHBondContact O-N 2.97Å; Q891-A893 VanDerWaalsContact O-N 3.15Å; A893-N895 PolarHBondContact O-N 3.01Å; A893-N895 VanDerWaalsContact O-N 3.15Å | ||
| 894 | Q | 23.8 | Very low | 25 | Very low | 172.25 Ų | 172.25 | 145.8 Ų | 145.8 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | trans | -10.4 | 111.2 | 151.5 | -68 | 180 | -22 | 0 | 0 | 115.6 | S892 | S892-Q894 PolarHBondContact O-N 3.24Å; S892-Q894 VanDerWaalsContact O-N 3.12Å | ||
| 895 | N | 24.8 | Very low | 25.1 | Very low | 150.75 Ų | 150.75 | 145.6 Ų | 145.6 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | trans | -168 | 100.6 | 144.9 | -90.6 | -39.3 | 0 | 0 | 0 | 113 | A893 K897 | A893-N895 PolarHBondContact O-N 3.01Å; A893-N895 VanDerWaalsContact O-N 3.15Å; N895-K897 PolarHBondContact O-N 3.34Å | ||
| 896 | R | 24 | Very low | 25.1 | Very low | 232 Ų | 232 | 145 Ų | 145 | 88% | 0.875 | 75% | 0.754 | S | S | * | * | trans | -85 | 118.1 | 160.5 | -79.1 | 169.8 | -179 | -176.9 | -0.7 | 109.9 | ||||
| 897 | K | 25.8 | Very low | 25.1 | Very low | 177.75 Ų | 177.75 | 146.6 Ų | 146.6 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | -144.5 | 103.1 | 106.5 | -89.7 | -165.2 | 175.5 | -171.1 | 0 | 108.8 | N895 Y899 | N895-K897 PolarHBondContact O-N 3.34Å; K897-Y899 VanDerWaalsContact C-N 3.34Å; K897-Y899 HydrophobicContact CB-CD2 4.17Å; K897-Y899 HydrophobicContact CB-CE2 4.09Å; K897-Y899 HydrophobicContact CD-CE2 4.39Å; K897-Y899 PolarHBondContact O-N 3.1Å | |||
| 898 | T | 23.6 | Very low | 25.2 | Very low | 113.5 Ų | 113.5 | 144.7 Ų | 144.7 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | trans | -2.4 | 123.5 | 148.8 | 44.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 899 | Y | 23.9 | Very low | 25.3 | Very low | 197.5 Ų | 197.5 | 144.7 Ų | 144.7 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | trans | -8.2 | 116.3 | 150.6 | -79.3 | -82.5 | 0 | 0 | 0 | 113.3 | K897 N901 | K897-Y899 VanDerWaalsContact C-N 3.34Å; K897-Y899 HydrophobicContact CB-CD2 4.17Å; K897-Y899 HydrophobicContact CB-CE2 4.09Å; K897-Y899 HydrophobicContact CD-CE2 4.39Å; K897-Y899 PolarHBondContact O-N 3.1Å; Y899-N901 VanDerWaalsContact C-N 3.31Å; Y899-N901 PolarHBondContact O-N 3.02Å | ||
| 900 | E | 25.7 | Very low | 25.5 | Very low | 154.25 Ų | 154.25 | 144.2 Ų | 144.2 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | trans | -124.8 | 135.4 | 147.7 | -91.9 | 174.4 | 159.4 | 0 | 0 | 112.7 | N902 | E900-N902 VanDerWaalsContact C-N 3.31Å; E900-N902 PolarHBondContact O-N 3.34Å; E900-N902 VanDerWaalsContact O-N 3.1Å | ||
| 901 | N | 25.5 | Very low | 25.8 | Very low | 135 Ų | 135 | 144.9 Ų | 144.9 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | 8.5 | 98.6 | 159.5 | -65.7 | -18.2 | 0 | 0 | 0 | 113.1 | Y899 D903 | Y899-N901 VanDerWaalsContact C-N 3.31Å; Y899-N901 PolarHBondContact O-N 3.02Å; N901-D903 VanDerWaalsContact C-N 3.3Å; N901-D903 PolarHBondContact O-N 3.07Å; N901-D903 VanDerWaalsContact O-N 3.11Å | ||
| 902 | N | 27.5 | Very low | 26.1 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | 15.5 | 128.5 | 134.5 | -72.7 | -7.5 | 0 | 0 | 0 | 111.5 | E900 S904 | E900-N902 VanDerWaalsContact C-N 3.31Å; E900-N902 PolarHBondContact O-N 3.34Å; E900-N902 VanDerWaalsContact O-N 3.1Å; N902-S904 VanDerWaalsContact C-N 3.29Å; N902-S904 PolarHBondContact O-N 2.82Å | ||
| 903 | D | 26 | Very low | 26.3 | Very low | 147.25 Ų | 147.25 | 145.3 Ų | 145.3 | 79% | 0.787 | 76% | 0.762 | S | S | * | * | -108.6 | 145.9 | 86 | -94.6 | -41.8 | 0 | 0 | 0 | 111.9 | N901 T905 | N901-D903 VanDerWaalsContact C-N 3.3Å; N901-D903 PolarHBondContact O-N 3.07Å; N901-D903 VanDerWaalsContact O-N 3.11Å; D903-T905 PolarHBondContact O-N 2.68Å | |||
| 904 | S | 25.3 | Very low | 26.5 | Very low | 101.75 Ų | 101.75 | 146.2 Ų | 146.2 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | trans | -169.3 | 122.7 | 175.1 | 52.9 | 0 | 0 | 0 | 0 | 113.4 | N902 D906 | N902-S904 VanDerWaalsContact C-N 3.29Å; N902-S904 PolarHBondContact O-N 2.82Å; S904-D906 VanDerWaalsContact C-N 3.35Å; S904-D906 PolarHBondContact O-N 3.09Å | ||
| 905 | T | 28.1 | Very low | 26.7 | Very low | 119.75 Ų | 119.75 | 145.7 Ų | 145.7 | 74% | 0.735 | 77% | 0.765 | S | S | * | * | trans | -113 | 133.3 | 143.3 | 36.4 | 0 | 0 | 0 | 0 | 112.5 | D903 I907 | D903-T905 PolarHBondContact O-N 2.68Å; T905-I907 PolarHBondContact O-N 3.05Å | ||
| 906 | D | 24.9 | Very low | 27 | Very low | 151.75 Ų | 151.75 | 147 Ų | 147 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | trans | -68.2 | 120.7 | 153.3 | -89.3 | -33.5 | 0 | 0 | 0 | 112.3 | S904 S908 | S904-D906 VanDerWaalsContact C-N 3.35Å; S904-D906 PolarHBondContact O-N 3.09Å; D906-S908 PolarHBondContact O-N 3.18Å | ||
| 907 | I | 28.1 | Very low | 27.2 | Very low | 144.75 Ų | 144.75 | 144.4 Ų | 144.4 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | trans | -85.3 | 103.5 | 162.1 | -58.6 | 172.9 | 0 | 0 | 0 | 110.4 | T905 L909 | T905-I907 PolarHBondContact O-N 3.05Å; I907-L909 HydrophobicContact CG2-CD2 3.76Å; I907-L909 VanDerWaalsContact CG2-CD2 3.44Å; I907-L909 HydrophobicContact CG2-CG 3.73Å; I907-L909 PolarHBondContact O-N 2.78Å; I907-L909 VanDerWaalsContact O-N 3.14Å | ||
| 908 | S | 25.9 | Very low | 27.2 | Very low | 106.5 Ų | 106.5 | 145.1 Ų | 145.1 | 75% | 0.745 | 77% | 0.767 | S | S | * | * | trans | -76.5 | 125.4 | 163.7 | -109.2 | 0 | 0 | 0 | 0 | 108.7 | D906 N910 | D906-S908 PolarHBondContact O-N 3.18Å; S908-N910 VanDerWaalsContact C-N 3.3Å; S908-N910 PolarHBondContact O-N 3.16Å | ||
| 909 | L | 28.9 | Very low | 27.6 | Very low | 138.75 Ų | 138.75 | 146.8 Ų | 146.8 | 73% | 0.726 | 77% | 0.772 | S | S | * | * | trans | -107.3 | 117.1 | 167.2 | -78.3 | 173.5 | 0 | 0 | 0 | 109.6 | I907 L911 | I907-L909 HydrophobicContact CG2-CD2 3.76Å; I907-L909 VanDerWaalsContact CG2-CD2 3.44Å; I907-L909 HydrophobicContact CG2-CG 3.73Å; I907-L909 PolarHBondContact O-N 2.78Å; I907-L909 VanDerWaalsContact O-N 3.14Å; L909-L911 PolarHBondContact O-N 3.03Å | ||
| 910 | N | 28.5 | Very low | 27.7 | Very low | 139 Ų | 139 | 141 Ų | 141 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | -68.1 | 127.5 | 169.7 | -75.5 | 6.4 | 0 | 0 | 0 | 109.5 | S908 D912 | S908-N910 VanDerWaalsContact C-N 3.3Å; S908-N910 PolarHBondContact O-N 3.16Å; N910-D912 VanDerWaalsContact C-N 3.26Å; N910-D912 WeakPolarHBondContact CB-OD2 3.49Å; N910-D912 PolarHBondContact ND2-OD2 3.35Å; N910-D912 PolarHBondContact O-N 2.96Å; N910-D912 VanDerWaalsContact O-N 3.16Å | ||
| 911 | L | 31.2 | Very low | 27.9 | Very low | 152.25 Ų | 152.25 | 138.7 Ų | 138.7 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -121.3 | 79.9 | 157.9 | -80.6 | 165.6 | 0 | 0 | 0 | 110 | L909 D913 | L909-L911 PolarHBondContact O-N 3.03Å; L911-D913 PolarHBondContact O-N 3.33Å | ||
| 912 | D | 28.1 | Very low | 27.9 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | trans | -96.7 | 86.8 | 173 | -66 | -49.1 | 0 | 0 | 0 | 110.6 | N910 S914 | N910-D912 VanDerWaalsContact C-N 3.26Å; N910-D912 WeakPolarHBondContact CB-OD2 3.49Å; N910-D912 PolarHBondContact ND2-OD2 3.35Å; N910-D912 PolarHBondContact O-N 2.96Å; N910-D912 VanDerWaalsContact O-N 3.16Å; D912-S914 PolarHBondContact O-N 3.42Å | ||
| 913 | D | 28.8 | Very low | 27.9 | Very low | 152.5 Ų | 152.5 | 139.2 Ų | 139.2 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | trans | -165.6 | 96.2 | 166 | -94 | -18.9 | 0 | 0 | 0 | 112.3 | L911 | L911-D913 PolarHBondContact O-N 3.33Š| ||
| 914 | S | 29.2 | Very low | 27.8 | Very low | 111.5 Ų | 111.5 | 136.5 Ų | 136.5 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | 84.9 | 89.8 | 161.1 | -59.4 | 0 | 0 | 0 | 0 | 116.7 | D912 E916 | D912-S914 PolarHBondContact O-N 3.42Å; S914-E916 PolarHBondContact O-N 3.5Å | ||
| 915 | L | 27.4 | Very low | 27.8 | Very low | 160.5 Ų | 160.5 | 140.6 Ų | 140.6 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | trans | -140.9 | 91.8 | 151.1 | -86.4 | 171.4 | 0 | 0 | 0 | 112.7 | E917 | L915-E917 PolarHBondContact O-N 3.02Š| ||
| 916 | E | 29.8 | Very low | 27.7 | Very low | 179.5 Ų | 179.5 | 140.9 Ų | 140.9 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | -64.3 | 115.7 | 159.5 | -71.7 | -179.1 | 153.2 | 0 | 0 | 113 | S914 F918 | S914-E916 PolarHBondContact O-N 3.5Å; E916-F918 PolarHBondContact O-N 2.86Å | ||
| 917 | E | 28.6 | Very low | 27.7 | Very low | 176.75 Ų | 176.75 | 140.8 Ų | 140.8 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -22.4 | 114.8 | 145.9 | -118.6 | 173.3 | -167.8 | 0 | 0 | 113.7 | L915 | L915-E917 PolarHBondContact O-N 3.02Š| ||
| 918 | F | 27.2 | Very low | 27.5 | Very low | 192 Ų | 192 | 139.4 Ų | 139.4 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | trans | -120.8 | 115.2 | 160.1 | -105.5 | -80.5 | 0 | 0 | 0 | 111.9 | E916 G920 | E916-F918 PolarHBondContact O-N 2.86Å; F918-G920 PolarHBondContact O-N 3.21Å | ||
| 919 | D | 30.4 | Very low | 27.5 | Very low | 149.5 Ų | 149.5 | 139.8 Ų | 139.8 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | -48 | 115.7 | 171.9 | -72 | -43.8 | 0 | 0 | 0 | 113.4 | S921 | D919-S921 PolarHBondContact O-N 3.41Å; D919-S921 PolarHBondContact O-OG 3.11Å | ||
| 920 | G | 27.2 | Very low | 27.3 | Very low | 75.75 Ų | 75.75 | 137.9 Ų | 137.9 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | trans | -106 | 91.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | F918 D922 | F918-G920 PolarHBondContact O-N 3.21Å; G920-D922 PolarHBondContact O-N 2.93Å | ||
| 921 | S | 29.4 | Very low | 27.1 | Very low | 105.5 Ų | 105.5 | 137.9 Ų | 137.9 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | -74.6 | 124.4 | 176.4 | 53.8 | 0 | 0 | 0 | 0 | 113 | D919 T923 | D919-S921 PolarHBondContact O-N 3.41Å; D919-S921 PolarHBondContact O-OG 3.11Å; S921-T923 PolarHBondContact O-N 2.94Å; S921-T923 PolarHBondContact O-OG1 3.47Å | ||
| 922 | D | 25.4 | Very low | 26.8 | Very low | 152 Ų | 152 | 137.5 Ų | 137.5 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | -59.2 | 116.2 | 162.2 | -85.5 | -31.3 | 0 | 0 | 0 | 111.6 | G920 S924 | G920-D922 PolarHBondContact O-N 2.93Å; D922-S924 PolarHBondContact O-N 3.34Å | ||
| 923 | T | 27.9 | Very low | 26.6 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -125.4 | 103.9 | 133.9 | 42.1 | 0 | 0 | 0 | 0 | 109.3 | S921 F925 | S921-T923 PolarHBondContact O-N 2.94Å; S921-T923 PolarHBondContact O-OG1 3.47Å; T923-F925 PolarHBondContact O-N 3.09Å; T923-F925 VanDerWaalsContact O-N 3.1Å | ||
| 924 | S | 24.6 | Very low | 26.4 | Very low | 90 Ų | 90 | 133.5 Ų | 133.5 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | trans | -79.3 | 137.2 | 164.8 | 111.7 | 0 | 0 | 0 | 0 | 108.5 | D922 D926 | D922-S924 PolarHBondContact O-N 3.34Å; S924-D926 VanDerWaalsContact CB-OD1 3.32Å; S924-D926 WeakPolarHBondContact CB-OD1 3.24Å; S924-D926 PolarHBondContact O-N 2.66Å; S924-D926 PolarHBondContact OG-OD1 2.89Å | ||
| 925 | F | 25 | Very low | 26.2 | Very low | 189.25 Ų | 189.25 | 136.2 Ų | 136.2 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | trans | -125.1 | 108.8 | 173.8 | -104.5 | -85.5 | 0 | 0 | 0 | 109.9 | T923 L927 | T923-F925 PolarHBondContact O-N 3.09Å; T923-F925 VanDerWaalsContact O-N 3.1Å; F925-L927 PolarHBondContact O-N 2.83Å | ||
| 926 | D | 24.8 | Very low | 26.2 | Very low | 124.5 Ų | 124.5 | 136.7 Ų | 136.7 | 67% | 0.666 | 74% | 0.737 | S | S | * | * | trans | -84.4 | 123.8 | -177.4 | -83.6 | -19.7 | 0 | 0 | 0 | 109 | S924 T928 | S924-D926 VanDerWaalsContact CB-OD1 3.32Å; S924-D926 WeakPolarHBondContact CB-OD1 3.24Å; S924-D926 PolarHBondContact O-N 2.66Å; S924-D926 PolarHBondContact OG-OD1 2.89Å; D926-T928 PolarHBondContact O-N 3.33Å | ||
| 927 | L | 25.4 | Very low | 25.9 | Very low | 149.5 Ų | 149.5 | 131.6 Ų | 131.6 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | trans | -135.2 | 102.1 | 147.8 | -81.8 | 169.5 | 0 | 0 | 0 | 109.4 | F925 T929 | F925-L927 PolarHBondContact O-N 2.83Å; L927-T929 PolarHBondContact O-N 3.07Å | ||
| 928 | T | 24.1 | Very low | 25.8 | Very low | 115.75 Ų | 115.75 | 127.2 Ų | 127.2 | 71% | 0.71 | 73% | 0.727 | S | S | * | * | trans | -118.1 | 104.6 | 154.6 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | D926 | D926-T928 PolarHBondContact O-N 3.33Š| ||
| 929 | T | 26 | Very low | 25.6 | Very low | 116.25 Ų | 116.25 | 127.1 Ų | 127.1 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | -137.8 | 115.9 | 126 | 24.7 | 0 | 0 | 0 | 0 | 109.6 | L927 I931 | L927-T929 PolarHBondContact O-N 3.07Å; T929-I931 VanDerWaalsContact C-N 3.3Å; T929-I931 PolarHBondContact O-N 3.25Å; T929-I931 VanDerWaalsContact O-N 3.15Å | |||
| 930 | S | 23.5 | Very low | 25.3 | Very low | 98.75 Ų | 98.75 | 129.3 Ų | 129.3 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | trans | -83 | 118.5 | 178.9 | -57.2 | 0 | 0 | 0 | 0 | 109.6 | E932 | S930-E932 PolarHBondContact O-N 3.01Å; S930-E932 VanDerWaalsContact O-N 3.09Å | ||
| 931 | I | 25 | Very low | 25.1 | Very low | 138.25 Ų | 138.25 | 134.1 Ų | 134.1 | 71% | 0.709 | 72% | 0.72 | S | S | * | * | trans | -91.4 | 105.6 | 165.7 | -69.1 | 174.2 | 0 | 0 | 0 | 110.1 | T929 V933 L1791 | T929-I931 VanDerWaalsContact C-N 3.3Å; T929-I931 PolarHBondContact O-N 3.25Å; T929-I931 VanDerWaalsContact O-N 3.15Å; I931-V933 PolarHBondContact O-N 3.09Å; I931-L1791 HydrophobicContact CB-CD1 4.02Å; I931-L1791 HydrophobicContact CG1-CB 4.43Å; I931-L1791 HydrophobicContact CG1-CD1 4.07Å; I931-L1791 HydrophobicContact CG2-CB 3.84Å; I931-L1791 HydrophobicContact CG2-CD1 3.85Å; I931-L1791 HydrophobicContact CG2-CG 4.49Å | ||
| 932 | E | 24 | Very low | 24.9 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 67% | 0.668 | 72% | 0.723 | S | S | * | * | trans | -93.2 | 131.1 | 166.9 | -110.8 | -174.7 | 143.5 | 0 | 0 | 111.8 | S930 N934 K1202 I1206 L1791 | S930-E932 PolarHBondContact O-N 3.01Å; S930-E932 VanDerWaalsContact O-N 3.09Å; E932-N934 PolarHBondContact O-N 3.34Å; E932-N934 PolarHBondContact OE1-ND2 2.99Å; E932-K1202 HydrophobicContact CG-CD 4.05Å; E932-K1202 HydrophobicContact CG-CG 4.17Å; E932-K1202 WeakPolarHBondContact OE1-CB 3.17Å; E932-K1202 WeakPolarHBondContact OE1-CD 3.28Å; E932-K1202 WeakPolarHBondContact OE1-CG 3.22Å; E932-I1206 VanDerWaalsContact OE1-CD1 3.31Å; E932-I1206 WeakPolarHBondContact OE1-CD1 3.22Å; E932-I1206 WeakPolarHBondContact OE1-CG1 3.48Å; E932-I1206 WeakPolarHBondContact OE2-CG1 3.33Å; E932-L1791 VanDerWaalsContact O-CD1 3.29Å; E932-L1791 WeakPolarHBondContact O-CD1 3.16Å | ||
| 933 | V | 25.4 | Very low | 24.9 | Very low | 100.5 Ų | 100.5 | 134.3 Ų | 134.3 | 61% | 0.609 | 71% | 0.713 | S | S | * | * | trans | -95 | 103.9 | 156.3 | 178.7 | 0 | 0 | 0 | 0 | 113.5 | I931 K935 K1202 H1790 L1791 | I931-V933 PolarHBondContact O-N 3.09Å; V933-K935 HydrophobicContact CG1-CG 4.31Å; V933-K935 PolarHBondContact O-N 3.31Å; V933-K1202 PolarHBondContact O-NZ 2.95Å; V933-H1790 HydrophobicContact CB-CB 4Å; V933-H1790 VanDerWaalsContact CB-O 3.29Å; V933-H1790 WeakPolarHBondContact CB-O 3.2Å; V933-H1790 HydrophobicContact CG1-CB 3.97Å; V933-H1790 VanDerWaalsContact CG1-CD2 3.42Å; V933-H1790 WeakPolarHBondContact CG1-CD2 3.35Å; V933-H1790 HydrophobicContact CG2-CB 4.22Å; V933-H1790 WeakPolarHBondContact CG2-O 3.12Å; V933-L1791 HydrophobicContact CG2-CD1 3.77Å; V933-L1791 HydrophobicContact CG2-CD2 4.41Å; V933-L1791 HydrophobicContact CG2-CG 3.6Å | ||
| 934 | N | 25.1 | Very low | 25 | Very low | 108.25 Ų | 108.25 | 133.5 Ų | 133.5 | 58% | 0.579 | 71% | 0.711 | S | S | * | * | trans | -63.6 | 123.2 | 156.8 | -123.7 | -42.7 | 0 | 0 | 0 | 114.4 | E932 K936 | E932-N934 PolarHBondContact O-N 3.34Å; E932-N934 PolarHBondContact OE1-ND2 2.99Å; N934-K936 PolarHBondContact O-N 3.15Å | ||
| 935 | K | 24.7 | Very low | 25 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 74% | 0.735 | 72% | 0.715 | S | S | * | * | trans | -99.8 | 105 | 158.8 | -80 | 177.4 | -178.2 | 169.6 | 0 | 113.9 | V933 H1790 | V933-K935 HydrophobicContact CG1-CG 4.31Å; V933-K935 PolarHBondContact O-N 3.31Å; K935-H1790 VanDerWaalsContact CE-NE2 3.32Å; K935-H1790 WeakPolarHBondContact CE-NE2 3.25Å; K935-H1790 PolarHBondContact NZ-NE2 2.9Å | ||
| 936 | K | 27.1 | Very low | 25.1 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 74% | 0.739 | 71% | 0.705 | S | S | * | * | trans | -138.2 | 131.7 | 156.3 | -76.9 | 173 | 179.1 | -177.3 | 0 | 111.3 | N934 I1255 D1259 | N934-K936 PolarHBondContact O-N 3.15Å; K936-I1255 HydrophobicContact CD-CG1 4.21Å; K936-D1259 IonicContact NZ-OD2 2.7Å; K936-D1259 PolarHBondContact NZ-OD2 3.5Å | ||
| 937 | G | 23.9 | Very low | 25.2 | Very low | 72.75 Ų | 72.75 | 134.9 Ų | 134.9 | 75% | 0.75 | 70% | 0.704 | S | S | * | * | trans | -149 | 134.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 938 | A | 25.5 | Very low | 25.2 | Very low | 85.5 Ų | 85.5 | 134.4 Ų | 134.4 | 71% | 0.707 | 70% | 0.698 | S | S | * | * | trans | 84.9 | 107.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y940 | A938-Y940 HydrophobicContact CB-CD2 4.34Å; A938-Y940 HydrophobicContact CB-CE2 3.96Å; A938-Y940 PolarHBondContact O-N 3.39Å | ||
| 939 | F | 23.1 | Very low | 25.3 | Very low | 189.5 Ų | 189.5 | 139 Ų | 139 | 83% | 0.831 | 70% | 0.702 | S | S | * | * | trans | -35 | 106 | 135 | -83.2 | -70.1 | 0 | 0 | 0 | 114.5 | Y941 R1049 | F939-Y941 PolarHBondContact O-N 3.29Å; F939-R1049 PolarHBondContact O-NE 2.83Å | ||
| 940 | Y | 24.9 | Very low | 25.3 | Very low | 196 Ų | 196 | 138.6 Ų | 138.6 | 77% | 0.769 | 70% | 0.699 | S | S | * | * | trans | -98.6 | 122.2 | 154 | -87.3 | -88.9 | 0 | 0 | 0 | 112.5 | A938 V942 R1049 | A938-Y940 HydrophobicContact CB-CD2 4.34Å; A938-Y940 HydrophobicContact CB-CE2 3.96Å; A938-Y940 PolarHBondContact O-N 3.39Å; Y940-V942 PolarHBondContact O-N 2.95Å; Y940-R1049 VanDerWaalsContact O-CA 3.29Å; Y940-R1049 WeakPolarHBondContact O-CA 3.29Å; Y940-R1049 WeakPolarHBondContact O-CB 3.46Å; Y940-R1049 VanDerWaalsContact O-CG 3.24Å; Y940-R1049 WeakPolarHBondContact O-CG 3.26Å | ||
| 941 | Y | 23.1 | Very low | 25.4 | Very low | 175 Ų | 175 | 140.7 Ų | 140.7 | 69% | 0.686 | 70% | 0.702 | S | S | * | * | trans | -62.8 | 127.7 | 162.1 | -115.8 | -109 | 0 | 0 | 0 | 114.4 | F939 Q943 R1049 T1050 E1051 | F939-Y941 PolarHBondContact O-N 3.29Å; Y941-Q943 HydrophobicContact CD1-CG 4.44Å; Y941-Q943 PolarHBondContact O-N 3.47Å; Y941-R1049 CarbonylContact O-C 3.6Å; Y941-R1049 VanDerWaalsContact O-C 3.27Å; Y941-R1049 WeakPolarHBondContact O-CA 3.22Å; Y941-T1050 VanDerWaalsContact CB-C 3.47Å; Y941-T1050 VanDerWaalsContact CB-N 3.25Å; Y941-T1050 PolarHBondContact O-N 3.06Å; Y941-E1051 VanDerWaalsContact CB-N 3.25Å; Y941-E1051 HydrophobicContact CD1-CB 3.46Å; Y941-E1051 VanDerWaalsContact CD1-CB 3.46Å; Y941-E1051 HydrophobicContact CD1-CG 4.29Å; Y941-E1051 HydrophobicContact CD2-CB 3.34Å; Y941-E1051 VanDerWaalsContact CD2-CD 3.43Å; Y941-E1051 HydrophobicContact CD2-CG 3.2Å; Y941-E1051 WeakPolarHBondContact CD2-OE1 2.88Å; Y941-E1051 HydrophobicContact CE1-CB 3.72Å; Y941-E1051 HydrophobicContact CE2-CB 3.61Å; Y941-E1051 HydrophobicContact CE2-CG 3.6Å; Y941-E1051 WeakPolarHBondContact CE2-OE1 3.32Å; Y941-E1051 HydrophobicContact CG-CB 3.24Å; Y941-E1051 HydrophobicContact CG-CG 3.58Å | ||
| 942 | V | 24.1 | Very low | 25.4 | Very low | 130 Ų | 130 | 140.1 Ų | 140.1 | 79% | 0.788 | 70% | 0.701 | S | S | * | * | trans | -121.2 | 126.4 | 161.2 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | Y940 T1050 E1051 S1052 | Y940-V942 PolarHBondContact O-N 2.95Å; V942-T1050 CarbonylContact C-O 3.54Å; V942-T1050 VanDerWaalsContact CA-C 3.47Å; V942-T1050 WeakPolarHBondContact CA-O 3.49Å; V942-T1050 PolarHBondContact N-O 2.93Å; V942-E1051 CarbonylContact O-C 3.59Å; V942-E1051 WeakPolarHBondContact O-CA 3.38Å; V942-S1052 PolarHBondContact O-N 2.82Å | ||
| 943 | Q | 26 | Very low | 25.5 | Very low | 131.75 Ų | 131.75 | 139.2 Ų | 139.2 | 62% | 0.616 | 71% | 0.705 | S | S | * | * | trans | -94.2 | 147.5 | -175.6 | -82.7 | -146 | -3.7 | 0 | 0 | 112.6 | Y941 R945 T1050 E1051 S1052 | Y941-Q943 HydrophobicContact CD1-CG 4.44Å; Y941-Q943 PolarHBondContact O-N 3.47Å; Q943-R945 PolarHBondContact O-N 3.41Å; Q943-T1050 WeakPolarHBondContact CB-O 3.18Å; Q943-T1050 PolarHBondContact N-O 2.83Å; Q943-E1051 WeakPolarHBondContact CB-O 3.36Å; Q943-E1051 WeakPolarHBondContact CG-O 3.5Å; Q943-S1052 PolarHBondContact NE2-OG 3.04Å | ||
| 944 | P | 30.3 | Very low | 25.5 | Very low | 110.25 Ų | 110.25 | 139.2 Ų | 139.2 | 72% | 0.716 | 71% | 0.709 | S | S | * | * | trans | -97.7 | 109.4 | 178.7 | 14.3 | 1 | 0 | 0 | 0 | 113.4 | D946 | P944-D946 VanDerWaalsContact C-N 3.32Å; P944-D946 PolarHBondContact O-N 2.9Å | ||
| 945 | R | 24.8 | Very low | 25.5 | Very low | 192.5 Ų | 192.5 | 142.1 Ų | 142.1 | 73% | 0.726 | 72% | 0.724 | S | S | * | * | trans | -116.6 | 120.2 | 171.5 | -77.3 | -167.5 | -177.8 | -165.4 | 2.7 | 112.5 | Q943 I947 Q948 N1042 K1046 | Q943-R945 PolarHBondContact O-N 3.41Å; R945-I947 VanDerWaalsContact C-N 3.34Å; R945-I947 PolarHBondContact O-N 3.36Å; R945-Q948 PolarHBondContact O-N 2.91Å; R945-N1042 PolarHBondContact NH1-O 3.16Å; R945-K1046 WeakPolarHBondContact O-CD 3.47Å; R945-K1046 PolarHBondContact O-NZ 3.2Å; R945-K1046 VanDerWaalsContact O-NZ 3.14Å | ||
| 946 | D | 26.1 | Very low | 25.5 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | trans | 17.2 | 120.4 | 133 | -67.3 | -41.9 | 0 | 0 | 0 | 116.4 | P944 Q948 L1043 | P944-D946 VanDerWaalsContact C-N 3.32Å; P944-D946 PolarHBondContact O-N 2.9Å; D946-Q948 VanDerWaalsContact C-N 3.33Å; D946-L1043 HydrophobicContact CB-CD2 3.92Å; D946-L1043 WeakPolarHBondContact OD2-CD1 3.28Å | ||
| 947 | I | 27 | Very low | 25.5 | Very low | 125.25 Ų | 125.25 | 136.2 Ų | 136.2 | 64% | 0.642 | 73% | 0.725 | S | S | * | * | trans | 168.7 | 108.4 | 141 | -78.1 | 160.6 | 0 | 0 | 0 | 111.5 | R945 R949 K1046 N1047 | R945-I947 VanDerWaalsContact C-N 3.34Å; R945-I947 PolarHBondContact O-N 3.36Å; I947-R949 VanDerWaalsContact C-N 3.28Å; I947-R949 PolarHBondContact O-N 3.25Å; I947-K1046 WeakPolarHBondContact CD1-O 3.35Å; I947-N1047 WeakPolarHBondContact CG2-ND2 3.16Å | ||
| 948 | Q | 25.3 | Very low | 25.7 | Very low | 139.5 Ų | 139.5 | 138.8 Ų | 138.8 | 65% | 0.652 | 73% | 0.729 | S | S | * | * | -97.6 | 125.4 | 129.2 | -119.5 | 134.6 | 11.1 | 0 | 0 | 114.1 | R945 D946 | R945-Q948 PolarHBondContact O-N 2.91Å; D946-Q948 VanDerWaalsContact C-N 3.33Å | |||
| 949 | R | 26.3 | Very low | 25.6 | Very low | 211.75 Ų | 211.75 | 139.9 Ų | 139.9 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | trans | -144.7 | 111.7 | 138.1 | -94.9 | -174.1 | -163.3 | 169.1 | -2.5 | 113.5 | I947 | I947-R949 VanDerWaalsContact C-N 3.28Å; I947-R949 PolarHBondContact O-N 3.25Å | ||
| 950 | T | 25.4 | Very low | 25.7 | Very low | 107.5 Ų | 107.5 | 136.1 Ų | 136.1 | 66% | 0.66 | 73% | 0.729 | S | S | * | * | 23.5 | 111.1 | 120.3 | 18.6 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 951 | L | 25.5 | Very low | 25.7 | Very low | 142.75 Ų | 142.75 | 133.9 Ų | 133.9 | 75% | 0.747 | 73% | 0.729 | S | S | * | * | trans | 51.2 | 137.8 | 143.7 | -70.7 | 150.1 | 0 | 0 | 0 | 115.3 | T953 | L951-T953 PolarHBondContact O-N 2.92Š| ||
| 952 | D | 25 | Very low | 25.8 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 68% | 0.679 | 74% | 0.736 | S | S | * | * | cis | -153.9 | 130.9 | 1.6 | -94.4 | -26.7 | 0 | 0 | 0 | 108.1 | ||||
| 953 | T | 27.1 | Very low | 25.8 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | trans | -167.6 | 139.1 | 137.9 | 24.9 | 0 | 0 | 0 | 0 | 113 | L951 | L951-T953 PolarHBondContact O-N 2.92Š| ||
| 954 | S | 24.6 | Very low | 25.8 | Very low | 100.5 Ų | 100.5 | 136.9 Ų | 136.9 | 70% | 0.703 | 74% | 0.738 | S | S | * | * | trans | 16.6 | 123.4 | 164.9 | 58.1 | 0 | 0 | 0 | 0 | 115.9 | S956 | S954-S956 PolarHBondContact O-N 3.02Š| ||
| 955 | L | 25.7 | Very low | 25.7 | Very low | 170 Ų | 170 | 138.5 Ų | 138.5 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | -86.5 | 115.4 | 128.6 | -74 | 155.7 | 0 | 0 | 0 | 113.6 | |||||
| 956 | S | 25.2 | Very low | 25.7 | Very low | 106.75 Ų | 106.75 | 137.3 Ų | 137.3 | 75% | 0.747 | 75% | 0.748 | S | S | * | * | trans | -113.6 | 134.6 | 152.3 | 54.1 | 0 | 0 | 0 | 0 | 111.3 | S954 | S954-S956 PolarHBondContact O-N 3.02Š| ||
| 957 | S | 26.4 | Very low | 25.7 | Very low | 107.75 Ų | 107.75 | 136.9 Ų | 136.9 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | trans | -38.5 | 147.1 | 152.2 | -46.5 | 0 | 0 | 0 | 0 | 112.9 | S959 | S957-S959 PolarHBondContact O-N 3.17Š| ||
| 958 | P | 28.3 | Very low | 25.6 | Very low | 127.25 Ų | 127.25 | 138.5 Ų | 138.5 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | trans | -107 | 141.5 | 131 | 34.1 | -26.9 | 0 | 0 | 0 | 113.1 | ||||
| 959 | S | 23.8 | Very low | 25.7 | Very low | 108.25 Ų | 108.25 | 140.3 Ų | 140.3 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | trans | -73.7 | 136.2 | 164.4 | 54.4 | 0 | 0 | 0 | 0 | 114.2 | S957 I961 | S957-S959 PolarHBondContact O-N 3.17Å; S959-I961 PolarHBondContact O-N 3.48Å | ||
| 960 | S | 25.1 | Very low | 25.8 | Very low | 110.75 Ų | 110.75 | 139.3 Ų | 139.3 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | trans | 101.6 | 123.4 | 139.2 | -172.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 961 | I | 24.9 | Very low | 25.9 | Very low | 150.25 Ų | 150.25 | 142 Ų | 142 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | trans | -130.7 | 125.2 | 149.1 | -70 | 158.7 | 0 | 0 | 0 | 108.5 | S959 | S959-I961 PolarHBondContact O-N 3.48Š| ||
| 962 | R | 24.4 | Very low | 26 | Very low | 224 Ų | 224 | 139.2 Ų | 139.2 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | -114.2 | 161.9 | 60.6 | -106 | -179.5 | -175.1 | 146.7 | -0.5 | 111.6 | |||||
| 963 | T | 24.1 | Very low | 26.2 | Very low | 108.5 Ų | 108.5 | 140.6 Ų | 140.6 | 67% | 0.666 | 79% | 0.791 | S | S | * | * | 34.8 | 138.8 | 91.3 | 59.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 964 | E | 26.1 | Very low | 26.2 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | 94 | 139.1 | 150.5 | -68.3 | 143 | -154.5 | 0 | 0 | 112.1 | L966 | E964-L966 PolarHBondContact O-N 3.42Š| ||
| 965 | D | 28 | Very low | 26.3 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | cis | -119.5 | 140.6 | 36.6 | -75.1 | -54.1 | 0 | 0 | 0 | 110.7 | ||||
| 966 | L | 24.8 | Very low | 26.4 | Very low | 166.5 Ų | 166.5 | 142.1 Ų | 142.1 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -112.5 | 94.9 | 145.4 | -77.8 | 172.9 | 0 | 0 | 0 | 110.7 | E964 L968 | E964-L966 PolarHBondContact O-N 3.42Å; L966-L968 PolarHBondContact O-N 2.94Å | ||
| 967 | S | 26.7 | Very low | 26.4 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -122.5 | 117.7 | 165.4 | -36.4 | 0 | 0 | 0 | 0 | 109 | E969 | S967-E969 PolarHBondContact O-N 3.4Š| ||
| 968 | L | 26 | Very low | 26.5 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | -15.6 | 123.2 | 120.9 | -70.8 | 153 | 0 | 0 | 0 | 112.5 | L966 | L966-L968 PolarHBondContact O-N 2.94Š| |||
| 969 | E | 27.3 | Very low | 26.4 | Very low | 176.25 Ų | 176.25 | 146 Ų | 146 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | -66.9 | 128.2 | 118 | -62 | -166.4 | 148.4 | 0 | 0 | 110.9 | S967 | S967-E969 PolarHBondContact O-N 3.4Š| |||
| 970 | E | 27.8 | Very low | 26.5 | Very low | 191 Ų | 191 | 148.5 Ų | 148.5 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | -88.8 | 125.8 | 144 | -74.6 | -171.2 | 140.8 | 0 | 0 | 110.3 | A972 | E970-A972 PolarHBondContact O-N 3.09Š| ||
| 971 | D | 27.7 | Very low | 26.6 | Very low | 163.5 Ų | 163.5 | 150.9 Ų | 150.9 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -82.5 | 133.8 | 167.4 | -90.1 | -31.2 | 0 | 0 | 0 | 112.5 | ||||
| 972 | A | 28.3 | Very low | 26.6 | Very low | 84 Ų | 84 | 153.1 Ų | 153.1 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | trans | -153.8 | 130.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E970 | E970-A972 PolarHBondContact O-N 3.09Š| ||
| 973 | D | 27.5 | Very low | 26.7 | Very low | 156.5 Ų | 156.5 | 150.9 Ų | 150.9 | 84% | 0.837 | 78% | 0.78 | S | S | * | * | trans | 35.6 | 105.7 | 148.5 | -61.3 | -34 | 0 | 0 | 0 | 119.6 | ||||
| 974 | D | 27.3 | Very low | 26.7 | Very low | 142.75 Ų | 142.75 | 149.3 Ų | 149.3 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | 133.7 | 143.6 | 112.8 | -147.9 | 8.1 | 0 | 0 | 0 | 118.5 | K976 | D974-K976 IonicContact OD2-NZ 3.51Š| |||
| 975 | V | 27.3 | Very low | 26.7 | Very low | 105 Ų | 105 | 150.6 Ų | 150.6 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | trans | 47.1 | 102.4 | 161 | -172.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 976 | K | 26.9 | Very low | 26.5 | Very low | 178.25 Ų | 178.25 | 150.4 Ų | 150.4 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | trans | 58.6 | 118.1 | 141.3 | -72.8 | 161.2 | -169.5 | 138.7 | 0 | 116.2 | D974 | D974-K976 IonicContact OD2-NZ 3.51Š| ||
| 977 | S | 26.8 | Very low | 26.6 | Very low | 96 Ų | 96 | 150.2 Ų | 150.2 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | 169.7 | 149 | 91.5 | 52.3 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 978 | K | 27.9 | Very low | 26.5 | Very low | 189.5 Ų | 189.5 | 151 Ų | 151 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | 47.8 | 121.3 | 145.5 | -75.4 | 176.8 | -178.8 | -178.2 | 0 | 117.4 | ||||
| 979 | N | 25.2 | Very low | 26.4 | Very low | 137.75 Ų | 137.75 | 146.4 Ų | 146.4 | 74% | 0.737 | 78% | 0.776 | S | S | * | * | -113.6 | 149.4 | 116.6 | -85.2 | -6.5 | 0 | 0 | 0 | 110 | |||||
| 980 | E | 27 | Very low | 26.3 | Very low | 161.75 Ų | 161.75 | 145.2 Ų | 145.2 | 76% | 0.756 | 78% | 0.781 | S | S | * | * | 129.1 | 131.7 | 97.2 | -98.3 | 164.1 | -132.9 | 0 | 0 | 114.3 | |||||
| 981 | H | 26.9 | Very low | 26.2 | Very low | 159.5 Ų | 159.5 | 139.8 Ų | 139.8 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | 80.3 | 100.6 | 122.2 | -102.4 | 62.5 | 0 | 0 | 0 | 116.5 | Q983 | H981-Q983 PolarHBondContact O-N 3.09Š| |||
| 982 | F | 24 | Very low | 26.2 | Very low | 197.25 Ų | 197.25 | 137.3 Ų | 137.3 | 87% | 0.865 | 77% | 0.772 | S | S | * | * | trans | -52.6 | 121.3 | 145.4 | -91.8 | -95.3 | 0 | 0 | 0 | 113.7 | ||||
| 983 | Q | 26.5 | Very low | 26.1 | Very low | 177.75 Ų | 177.75 | 141.5 Ų | 141.5 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | trans | 149.2 | 120.5 | 132.8 | -81.6 | -166.5 | 10.7 | 0 | 0 | 113.7 | H981 K985 | H981-Q983 PolarHBondContact O-N 3.09Å; Q983-K985 PolarHBondContact O-N 2.89Å | ||
| 984 | G | 24.6 | Very low | 26.1 | Very low | 76 Ų | 76 | 138.4 Ų | 138.4 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | trans | -118.1 | 114.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 985 | K | 26.4 | Very low | 26.1 | Very low | 191.75 Ų | 191.75 | 140.8 Ų | 140.8 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | -153.6 | 119.8 | 156.6 | -83.4 | -176.6 | 175.9 | 178.4 | 0 | 114.9 | Q983 I987 | Q983-K985 PolarHBondContact O-N 2.89Å; K985-I987 PolarHBondContact O-N 2.96Å | ||
| 986 | I | 23.3 | Very low | 26.2 | Very low | 141.75 Ų | 141.75 | 143.2 Ų | 143.2 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -5.3 | 119.6 | 142.6 | -60.1 | 163.9 | 0 | 0 | 0 | 111.8 | T988 | I986-T988 HydrophobicContact CG2-CG2 3.8Å; I986-T988 PolarHBondContact O-N 2.9Å | ||
| 987 | I | 26.9 | Very low | 26.3 | Very low | 162.25 Ų | 162.25 | 142.6 Ų | 142.6 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -114.2 | 106.2 | 145.8 | -64.8 | 173.2 | 0 | 0 | 0 | 107.1 | K985 | K985-I987 PolarHBondContact O-N 2.96Š| ||
| 988 | T | 25.8 | Very low | 26.5 | Very low | 121.75 Ų | 121.75 | 145.7 Ų | 145.7 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | trans | -93.4 | 119.5 | 145.1 | 45.2 | 0 | 0 | 0 | 0 | 112 | I986 | I986-T988 HydrophobicContact CG2-CG2 3.8Å; I986-T988 PolarHBondContact O-N 2.9Å | ||
| 989 | G | 23.9 | Very low | 26.4 | Very low | 63.75 Ų | 63.75 | 147.2 Ų | 147.2 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | trans | 107.5 | 130.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 990 | T | 25 | Very low | 26.5 | Very low | 152.25 Ų | 152.25 | 147.8 Ų | 147.8 | 93% | 0.934 | 79% | 0.791 | S | S | * | * | 86.3 | 118.8 | 111.1 | 64.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 991 | G | 25.5 | Very low | 26.6 | Very low | 76.25 Ų | 76.25 | 146.7 Ų | 146.7 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -168.9 | 68.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 992 | S | 27.1 | Very low | 26.6 | Very low | 112.5 Ų | 112.5 | 146.4 Ų | 146.4 | 79% | 0.787 | 79% | 0.793 | S | S | * | * | trans | -64.2 | 111.2 | 165.2 | 53.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 993 | L | 26.1 | Very low | 26.7 | Very low | 171 Ų | 171 | 144.8 Ų | 144.8 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | trans | -170 | 87.3 | 163 | -99.1 | 159 | 0 | 0 | 0 | 111.8 | ||||
| 994 | A | 28.6 | Very low | 26.6 | Very low | 90.75 Ų | 90.75 | 141.3 Ų | 141.3 | 75% | 0.75 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -142.4 | 108.3 | 159.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 995 | K | 26.8 | Very low | 26.7 | Very low | 195 Ų | 195 | 145.1 Ų | 145.1 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -155.8 | 93.6 | 168.7 | -96.9 | 176.6 | -178.9 | -177.7 | 0 | 115 | ||||
| 996 | I | 29.6 | Very low | 26.8 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 80% | 0.795 | 79% | 0.786 | S | S | * | * | trans | -108.7 | 96.5 | 161.3 | -59.1 | 177.8 | 0 | 0 | 0 | 110 | K998 Y999 | I996-K998 PolarHBondContact O-N 3.36Å; I996-Y999 PolarHBondContact O-N 3.2Å | ||
| 997 | E | 29 | Very low | 26.9 | Very low | 164.5 Ų | 164.5 | 141 Ų | 141 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -121.3 | 97.6 | -158.5 | -118.9 | 176.4 | 163.4 | 0 | 0 | 113.5 | ||||
| 998 | K | 30 | Very low | 27 | Very low | 161.75 Ų | 161.75 | 140.2 Ų | 140.2 | 70% | 0.703 | 78% | 0.782 | S | S | * | * | trans | -54.2 | 59.3 | 167.3 | -103.9 | 178.5 | 175.9 | 173.5 | 0 | 117.5 | I996 E1000 | I996-K998 PolarHBondContact O-N 3.36Å; K998-E1000 HydrophobicContact CB-CB 4.4Å; K998-E1000 HydrophobicContact CB-CG 4.36Å; K998-E1000 HydrophobicContact CD-CB 4.21Å; K998-E1000 WeakPolarHBondContact CD-OE2 3.3Å; K998-E1000 WeakPolarHBondContact CE-OE1 3.26Å; K998-E1000 HydrophobicContact CG-CG 4.37Å; K998-E1000 IonicContact NZ-OE1 2.7Å; K998-E1000 PolarHBondContact NZ-OE1 2.83Å; K998-E1000 IonicContact NZ-OE2 2.76Å; K998-E1000 PolarHBondContact NZ-OE2 2.97Å | ||
| 999 | Y | 26.9 | Very low | 27.1 | Very low | 221.75 Ų | 221.75 | 143.3 Ų | 143.3 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -116.9 | 68.3 | 150.2 | -84.1 | -76.2 | 0 | 0 | 0 | 111.4 | I996 | I996-Y999 PolarHBondContact O-N 3.2Š|
| 1000 | E | 27.2 | Very low | 27.1 | Very low | 149.5 Ų | 149.5 | 145.4 Ų | 145.4 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -101 | 55.5 | 158.2 | -85.7 | -161.9 | 154.4 | 0 | 0 | 112.6 | K998 L1002 | K998-E1000 HydrophobicContact CB-CB 4.4Å; K998-E1000 HydrophobicContact CB-CG 4.36Å; K998-E1000 HydrophobicContact CD-CB 4.21Å; K998-E1000 WeakPolarHBondContact CD-OE2 3.3Å; K998-E1000 WeakPolarHBondContact CE-OE1 3.26Å; K998-E1000 HydrophobicContact CG-CG 4.37Å; K998-E1000 IonicContact NZ-OE1 2.7Å; K998-E1000 PolarHBondContact NZ-OE1 2.83Å; K998-E1000 IonicContact NZ-OE2 2.76Å; K998-E1000 PolarHBondContact NZ-OE2 2.97Å; E1000-L1002 PolarHBondContact O-N 3.45Å |
| 1001 | N | 28 | Very low | 27.1 | Very low | 139.6 Ų | 139.6 | 143.4 Ų | 143.4 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | trans | -136.6 | 96.1 | 176.9 | -84.4 | -32.7 | 0 | 0 | 0 | 113.5 | ||||
| 1002 | L | 27.1 | Very low | 27.2 | Very low | 152.4 Ų | 152.4 | 146.2 Ų | 146.2 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | trans | -176.7 | 69.6 | 162.3 | -87.2 | 159.8 | 0 | 0 | 0 | 114.8 | E1000 | E1000-L1002 PolarHBondContact O-N 3.45Š| ||
| 1003 | L | 25.7 | Very low | 27.1 | Very low | 162.8 Ų | 162.8 | 146.5 Ų | 146.5 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | trans | -123.5 | 77.6 | 151.1 | -93.8 | 156.4 | 0 | 0 | 0 | 112.3 | ||||
| 1004 | T | 25.9 | Very low | 26.9 | Very low | 105.2 Ų | 105.2 | 144.2 Ų | 144.2 | 65% | 0.645 | 77% | 0.774 | S | S | * | * | trans | -141.6 | 118.8 | 160.7 | 56.8 | 0 | 0 | 0 | 0 | 112 | I1006 | T1004-I1006 HydrophobicContact CG2-CD1 4.44Š| ||
| 1005 | N | 26.8 | Very low | 26.8 | Very low | 156.2 Ų | 156.2 | 148.3 Ų | 148.3 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | 116.8 | 109.4 | 165 | -65.3 | -29.3 | 0 | 0 | 0 | 111.9 | ||||
| 1006 | I | 27.6 | Very low | 26.6 | Very low | 162 Ų | 162 | 147.6 Ų | 147.6 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | -128.2 | 112 | 107.1 | -65 | 166.4 | 0 | 0 | 0 | 107.8 | T1004 | T1004-I1006 HydrophobicContact CG2-CD1 4.44Š| |||
| 1007 | A | 25.6 | Very low | 26.3 | Very low | 85.6 Ų | 85.6 | 146.1 Ų | 146.1 | 71% | 0.707 | 78% | 0.779 | S | S | * | * | trans | -112.5 | 134.3 | 142.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1008 | D | 27.9 | Very low | 26.2 | Very low | 143.8 Ų | 143.8 | 143.3 Ų | 143.3 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -161.2 | 118.8 | 154.1 | -101.9 | -23.5 | 0 | 0 | 0 | 112.2 | ||||
| 1009 | K | 27.8 | Very low | 26 | Very low | 188 Ų | 188 | 144.9 Ų | 144.9 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | trans | -160 | 119.7 | 152.1 | -81.1 | 171.4 | -174.8 | 158.1 | 0 | 114.4 | ||||
| 1010 | S | 24.6 | Very low | 25.9 | Very low | 107.4 Ų | 107.4 | 140.2 Ų | 140.2 | 75% | 0.751 | 77% | 0.773 | S | S | * | * | trans | -110.8 | 152.7 | 151 | 53 | 0 | 0 | 0 | 0 | 113.4 | V1012 | S1010-V1012 PolarHBondContact O-N 3.21Š| ||
| 1011 | S | 26 | Very low | 25.9 | Very low | 110.2 Ų | 110.2 | 141.1 Ų | 141.1 | 77% | 0.771 | 77% | 0.774 | S | S | * | * | trans | 119.6 | 133.3 | 148.8 | 59.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 1012 | V | 25.9 | Very low | 25.9 | Very low | 134.2 Ų | 134.2 | 141.8 Ų | 141.8 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | -159.9 | 129 | 145.7 | 166.3 | 0 | 0 | 0 | 0 | 109.8 | S1010 | S1010-V1012 PolarHBondContact O-N 3.21Š| ||
| 1013 | T | 25.7 | Very low | 25.8 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | -69.2 | 139.6 | 167.1 | 36.8 | 0 | 0 | 0 | 0 | 113.8 | E1015 | T1013-E1015 PolarHBondContact O-N 2.82Š| ||
| 1014 | V | 23.3 | Very low | 25.9 | Very low | 121.8 Ų | 121.8 | 138 Ų | 138 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | 21.9 | 115.1 | 125.8 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | E1016 | V1014-E1016 HydrophobicContact CG1-CG 3.77Š| |||
| 1015 | E | 24.9 | Very low | 25.9 | Very low | 177.4 Ų | 177.4 | 143.3 Ų | 143.3 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | -138.6 | 145.2 | 115.5 | -109.2 | 169.3 | -171.1 | 0 | 0 | 113.5 | T1013 C1017 | T1013-E1015 PolarHBondContact O-N 2.82Å; E1015-C1017 PolarHBondContact O-N 2.85Å | |||
| 1016 | E | 24 | Very low | 25.8 | Very low | 179.6 Ų | 179.6 | 142.5 Ų | 142.5 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -70.6 | 133.3 | 166.7 | -70.1 | -180 | 152.3 | 0 | 0 | 115.5 | V1014 | V1014-E1016 HydrophobicContact CG1-CG 3.77Š| ||
| 1017 | C | 22 | Very low | 25.8 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | trans | -144.8 | 137.7 | 149 | -89 | 0 | 0 | 0 | 0 | 110.5 | E1015 Y1019 | E1015-C1017 PolarHBondContact O-N 2.85Å; C1017-Y1019 PolarHBondContact O-N 2.62Å | ||
| 1018 | P | 27.6 | Very low | 25.7 | Very low | 105.6 Ų | 105.6 | 146.8 Ų | 146.8 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | trans | -112.1 | 151 | -169.4 | 33 | -21.7 | 0 | 0 | 0 | 114.5 | ||||
| 1019 | Y | 24.7 | Very low | 25.6 | Very low | 194.4 Ų | 194.4 | 145.9 Ų | 145.9 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | -67.3 | 130.8 | 162.1 | -75.9 | -90 | 0 | 0 | 0 | 114.7 | C1017 K1021 S1073 D1074 | C1017-Y1019 PolarHBondContact O-N 2.62Å; Y1019-K1021 HydrophobicContact CD1-CG 4.1Å; Y1019-S1073 WeakPolarHBondContact CD2-OG 3.48Å; Y1019-S1073 WeakPolarHBondContact CE2-O 3.49Å; Y1019-S1073 VanDerWaalsContact CZ-C 3.47Å; Y1019-S1073 PolarHBondContact OH-O 3.31Å; Y1019-S1073 VanDerWaalsContact OH-O 3.13Å; Y1019-D1074 HydrophobicContact CD1-CB 4.12Å; Y1019-D1074 WeakPolarHBondContact CD1-OD2 3.2Å; Y1019-D1074 HydrophobicContact CE1-CB 3.48Å; Y1019-D1074 VanDerWaalsContact CE1-CB 3.48Å; Y1019-D1074 WeakPolarHBondContact CE1-OD2 3.2Å; Y1019-D1074 PolarHBondContact OH-N 2.97Å | ||
| 1020 | T | 26.4 | Very low | 25.6 | Very low | 124.4 Ų | 124.4 | 143.4 Ų | 143.4 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | -155.1 | 137.5 | 113.4 | 36.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1021 | K | 27.2 | Very low | 25.6 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 73% | 0.726 | 77% | 0.774 | S | S | * | * | trans | 44.2 | 128.5 | 167.5 | -64.6 | 172.5 | 176.8 | 171.2 | 0 | 115.3 | Y1019 S1023 D1074 | Y1019-K1021 HydrophobicContact CD1-CG 4.1Å; K1021-S1023 PolarHBondContact O-N 2.95Å; K1021-D1074 VanDerWaalsContact CE-CG 3.47Å; K1021-D1074 WeakPolarHBondContact CE-OD1 3.28Å; K1021-D1074 WeakPolarHBondContact CE-OD2 3.4Å; K1021-D1074 IonicContact NZ-OD1 3.65Å; K1021-D1074 PolarHBondContact NZ-OD1 3.17Å; K1021-D1074 IonicContact NZ-OD2 2.89Å | ||
| 1022 | N | 26.9 | Very low | 25.6 | Very low | 155.6 Ų | 155.6 | 149.5 Ų | 149.5 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | -158.2 | 128.5 | 129.9 | -90.2 | -5.5 | 0 | 0 | 0 | 111.2 | D1024 | N1022-D1024 VanDerWaalsContact C-N 3.31Å; N1022-D1024 PolarHBondContact O-N 3.04Å | |||
| 1023 | S | 26.3 | Very low | 25.5 | Very low | 98.2 Ų | 98.2 | 152.7 Ų | 152.7 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | trans | -87.7 | 120.8 | 164.5 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | K1021 | K1021-S1023 PolarHBondContact O-N 2.95Š| ||
| 1024 | D | 27.3 | Very low | 25.4 | Very low | 135.6 Ų | 135.6 | 151.8 Ų | 151.8 | 73% | 0.725 | 78% | 0.778 | S | S | * | * | trans | 160.5 | 98.8 | 152.7 | -77.9 | -32.5 | 0 | 0 | 0 | 114.7 | N1022 | N1022-D1024 VanDerWaalsContact C-N 3.31Å; N1022-D1024 PolarHBondContact O-N 3.04Å | ||
| 1025 | Y | 25.1 | Very low | 25.4 | Very low | 217.6 Ų | 217.6 | 152.4 Ų | 152.4 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | 163.5 | 103.5 | 137.9 | -105.7 | -78.5 | 0 | 0 | 0 | 116.4 | ||||
| 1026 | N | 24.6 | Very low | 25.3 | Very low | 138.2 Ų | 138.2 | 148.9 Ų | 148.9 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | trans | -72.6 | 120.8 | 158.5 | -75.6 | -36.5 | 0 | 0 | 0 | 115.8 | ||||
| 1027 | Q | 27.4 | Very low | 25.3 | Very low | 176.8 Ų | 176.8 | 146.4 Ų | 146.4 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | trans | -174.2 | 129.1 | 133.5 | -95.2 | 179.2 | 4.4 | 0 | 0 | 111.7 | ||||
| 1028 | L | 24.9 | Very low | 25.3 | Very low | 162.6 Ų | 162.6 | 148.2 Ų | 148.2 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | -149.8 | 115.4 | 156.2 | -106.2 | 118.6 | 0 | 0 | 0 | 109.3 | ||||
| 1029 | V | 26 | Very low | 25.1 | Very low | 124.8 Ų | 124.8 | 151.5 Ų | 151.5 | 76% | 0.756 | 77% | 0.769 | S | S | * | * | trans | -145.1 | 120.7 | 163.7 | 175.8 | 0 | 0 | 0 | 0 | 109.8 | K1031 | V1029-K1031 PolarHBondContact O-N 2.87Š| ||
| 1030 | D | 25.9 | Very low | 25 | Very low | 135.6 Ų | 135.6 | 150.9 Ų | 150.9 | 73% | 0.725 | 77% | 0.77 | S | S | * | * | trans | -88.2 | 133.8 | 148.7 | -96.2 | -14.9 | 0 | 0 | 0 | 113.8 | ||||
| 1031 | K | 26.2 | Very low | 24.9 | Very low | 172.8 Ų | 172.8 | 149 Ų | 149 | 75% | 0.751 | 77% | 0.768 | S | S | * | * | trans | -128.6 | 126.4 | 175.3 | -84.7 | 177.1 | -175.2 | 134.9 | 0 | 111 | V1029 | V1029-K1031 PolarHBondContact O-N 2.87Š| ||
| 1032 | E | 25.4 | Very low | 24.7 | Very low | 172.2 Ų | 172.2 | 147.9 Ų | 147.9 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | trans | 143.9 | 139 | 148.9 | -84.8 | 164.8 | -168 | 0 | 0 | 115 | ||||
| 1033 | F | 23.9 | Very low | 24.6 | Very low | 200.8 Ų | 200.8 | 147.4 Ų | 147.4 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | trans | -78.7 | 99.9 | 163.4 | -80.9 | -92.7 | 0 | 0 | 0 | 115.1 | ||||
| 1034 | S | 22.9 | Very low | 24.5 | Very low | 102.2 Ų | 102.2 | 149.7 Ų | 149.7 | 72% | 0.715 | 77% | 0.77 | S | S | * | * | trans | -129.1 | 120.7 | 154.4 | -132.1 | 0 | 0 | 0 | 0 | 110.8 | T1036 | S1034-T1036 VanDerWaalsContact C-N 3.28Å; S1034-T1036 PolarHBondContact O-N 2.76Å | ||
| 1035 | T | 23.7 | Very low | 24.4 | Very low | 133 Ų | 133 | 149.6 Ų | 149.6 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | trans | -91.4 | 82.6 | 175.7 | 13.2 | 0 | 0 | 0 | 0 | 110.9 | V1037 | T1035-V1037 HydrophobicContact CG2-CG2 4.49Å; T1035-V1037 PolarHBondContact O-N 3.18Å | ||
| 1036 | T | 23.1 | Very low | 24.3 | Very low | 105.8 Ų | 105.8 | 147 Ų | 147 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | trans | -91.2 | 109.1 | 166.8 | -28.3 | 0 | 0 | 0 | 0 | 110.2 | S1034 H1038 | S1034-T1036 VanDerWaalsContact C-N 3.28Å; S1034-T1036 PolarHBondContact O-N 2.76Å; T1036-H1038 PolarHBondContact O-N 3.1Å; T1036-H1038 VanDerWaalsContact O-N 3.13Å | ||
| 1037 | V | 23.2 | Very low | 24.4 | Very low | 127.2 Ų | 127.2 | 147 Ų | 147 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | trans | -81.6 | 99.8 | 169.6 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | T1035 F1039 | T1035-V1037 HydrophobicContact CG2-CG2 4.49Å; T1035-V1037 PolarHBondContact O-N 3.18Å; V1037-F1039 HydrophobicContact CG1-CD2 4.03Å; V1037-F1039 HydrophobicContact CG1-CE2 4.31Å; V1037-F1039 PolarHBondContact O-N 3.03Å; V1037-F1039 VanDerWaalsContact O-N 3.12Å | ||
| 1038 | H | 23.2 | Very low | 24.3 | Very low | 162.2 Ų | 162.2 | 148.1 Ų | 148.1 | 75% | 0.751 | 77% | 0.765 | S | S | * | * | trans | -74.5 | 111.3 | 174.2 | -103 | -80.1 | 0 | 0 | 0 | 110.7 | T1036 K1040 | T1036-H1038 PolarHBondContact O-N 3.1Å; T1036-H1038 VanDerWaalsContact O-N 3.13Å; H1038-K1040 VanDerWaalsContact C-N 3.34Å; H1038-K1040 PolarHBondContact O-N 2.9Å | ||
| 1039 | F | 22.7 | Very low | 24.3 | Very low | 175.2 Ų | 175.2 | 150.6 Ų | 150.6 | 77% | 0.768 | 76% | 0.763 | S | S | * | * | trans | -78.3 | 108.2 | 154.9 | -95.8 | -86.8 | 0 | 0 | 0 | 110 | V1037 A1041 K1090 Y1091 | V1037-F1039 HydrophobicContact CG1-CD2 4.03Å; V1037-F1039 HydrophobicContact CG1-CE2 4.31Å; V1037-F1039 PolarHBondContact O-N 3.03Å; V1037-F1039 VanDerWaalsContact O-N 3.12Å; F1039-A1041 PolarHBondContact O-N 3.11Å; F1039-K1090 HydrophobicContact CB-CB 4.12Å; F1039-K1090 HydrophobicContact CB-CD 3.78Å; F1039-K1090 HydrophobicContact CB-CG 3.66Å; F1039-K1090 VanDerWaalsContact CB-NZ 3.28Å; F1039-K1090 HydrophobicContact CD1-CB 3.4Å; F1039-K1090 HydrophobicContact CD1-CD 4.23Å; F1039-K1090 HydrophobicContact CD1-CG 3.93Å; F1039-K1090 HydrophobicContact CD2-CB 3.72Å; F1039-K1090 HydrophobicContact CD2-CG 3.93Å; F1039-K1090 HydrophobicContact CE1-CB 3.46Å; F1039-K1090 VanDerWaalsContact CE1-CB 3.46Å; F1039-K1090 HydrophobicContact CE1-CG 4.45Å; F1039-K1090 HydrophobicContact CE2-CB 3.77Å; F1039-K1090 HydrophobicContact CE2-CG 4.45Å; F1039-K1090 HydrophobicContact CG-CB 3.52Å; F1039-K1090 HydrophobicContact CG-CD 4.14Å; F1039-K1090 HydrophobicContact CG-CG 3.63Å; F1039-K1090 HydrophobicContact CZ-CB 3.64Å; F1039-K1090 PolarHBondContact O-NZ 2.74Å; F1039-Y1091 HydrophobicContact CE1-CD2 4.42Å; F1039-Y1091 HydrophobicContact CE1-CE1 4.22Å; F1039-Y1091 AromaticContact CE1-CE2 3.9Å; F1039-Y1091 HydrophobicContact CE1-CE2 3.9Å; F1039-Y1091 AromaticContact CE1-CZ 3.78Å; F1039-Y1091 HydrophobicContact CZ-CD2 4.04Å; F1039-Y1091 AromaticContact CZ-CE2 3.59Å; F1039-Y1091 HydrophobicContact CZ-CE2 3.59Å; F1039-Y1091 AromaticContact CZ-CZ 3.96Å | ||
| 1040 | K | 23.7 | Very low | 24.2 | Very low | 181.4 Ų | 181.4 | 150.2 Ų | 150.2 | 79% | 0.789 | 76% | 0.76 | S | S | * | * | trans | -87.7 | 103.5 | 175 | -165.1 | 174.7 | -175 | 176.3 | 0 | 111.1 | H1038 N1042 | H1038-K1040 VanDerWaalsContact C-N 3.34Å; H1038-K1040 PolarHBondContact O-N 2.9Å; K1040-N1042 VanDerWaalsContact C-N 3.35Å; K1040-N1042 PolarHBondContact O-N 3.16Å; K1040-N1042 VanDerWaalsContact O-N 3.12Å | ||
| 1041 | A | 22.8 | Very low | 24.1 | Very low | 85.2 Ų | 85.2 | 151.2 Ų | 151.2 | 70% | 0.704 | 76% | 0.761 | S | S | * | * | trans | -71.1 | 113.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | F1039 L1043 | F1039-A1041 PolarHBondContact O-N 3.11Å; A1041-L1043 HydrophobicContact CB-CB 4.33Å; A1041-L1043 HydrophobicContact CB-CD1 4.5Å; A1041-L1043 PolarHBondContact O-N 3.47Å | ||
| 1042 | N | 23.8 | Very low | 24 | Very low | 143.6 Ų | 143.6 | 147.4 Ų | 147.4 | 77% | 0.768 | 76% | 0.756 | S | S | * | * | trans | -100.9 | 95.2 | 165.2 | -98.4 | -9.6 | 0 | 0 | 0 | 109.2 | R945 K1040 L1044 | R945-N1042 PolarHBondContact NH1-O 3.16Å; K1040-N1042 VanDerWaalsContact C-N 3.35Å; K1040-N1042 PolarHBondContact O-N 3.16Å; K1040-N1042 VanDerWaalsContact O-N 3.12Å; N1042-L1044 PolarHBondContact O-N 2.94Å; N1042-L1044 VanDerWaalsContact O-N 3.09Å | ||
| 1043 | L | 23.9 | Very low | 23.9 | Very low | 144.2 Ų | 144.2 | 146.3 Ų | 146.3 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | -112.7 | 104.4 | 167.1 | -143.4 | 113.5 | 0 | 0 | 0 | 109.8 | D946 A1041 | D946-L1043 HydrophobicContact CB-CD2 3.92Å; D946-L1043 WeakPolarHBondContact OD2-CD1 3.28Å; A1041-L1043 HydrophobicContact CB-CB 4.33Å; A1041-L1043 HydrophobicContact CB-CD1 4.5Å; A1041-L1043 PolarHBondContact O-N 3.47Å | ||
| 1044 | L | 24.7 | Very low | 23.8 | Very low | 145.8 Ų | 145.8 | 142 Ų | 142 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | trans | -144.4 | 111.5 | 164.1 | -118.6 | 133.4 | 0 | 0 | 0 | 114.3 | N1042 K1046 | N1042-L1044 PolarHBondContact O-N 2.94Å; N1042-L1044 VanDerWaalsContact O-N 3.09Å; L1044-K1046 HydrophobicContact CD2-CB 4.19Å; L1044-K1046 HydrophobicContact CD2-CG 4.49Å; L1044-K1046 PolarHBondContact O-N 3.18Å | ||
| 1045 | N | 24.5 | Very low | 23.9 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | trans | 34.6 | 93.7 | 150.4 | -96.6 | -19.1 | 0 | 0 | 0 | 116.5 | ||||
| 1046 | K | 24.7 | Very low | 23.9 | Very low | 162.2 Ų | 162.2 | 143.5 Ų | 143.5 | 71% | 0.705 | 75% | 0.754 | S | S | * | * | trans | -54.8 | 110.3 | 138.5 | -73.9 | -178.1 | 178.4 | 175.2 | 0 | 113 | R945 I947 L1044 | R945-K1046 WeakPolarHBondContact O-CD 3.47Å; R945-K1046 PolarHBondContact O-NZ 3.2Å; R945-K1046 VanDerWaalsContact O-NZ 3.14Å; I947-K1046 WeakPolarHBondContact CD1-O 3.35Å; L1044-K1046 HydrophobicContact CD2-CB 4.19Å; L1044-K1046 HydrophobicContact CD2-CG 4.49Å; L1044-K1046 PolarHBondContact O-N 3.18Å | ||
| 1047 | N | 25.9 | Very low | 23.9 | Very low | 139.2 Ų | 139.2 | 141.7 Ų | 141.7 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | trans | 154.8 | 109.8 | 139.3 | -85.5 | -32 | 0 | 0 | 0 | 115.2 | I947 | I947-N1047 WeakPolarHBondContact CG2-ND2 3.16Š| ||
| 1048 | K | 25.4 | Very low | 23.9 | Very low | 199.6 Ų | 199.6 | 145.8 Ų | 145.8 | 87% | 0.868 | 76% | 0.76 | S | S | * | * | trans | 36.6 | 127.8 | 152.7 | -72.5 | 169 | -179 | 177.7 | 0 | 115.3 | ||||
| 1049 | R | 24.4 | Very low | 23.9 | Very low | 215.2 Ų | 215.2 | 145.4 Ų | 145.4 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | -120.5 | 137 | 126.2 | -91.2 | 176.8 | 174.6 | 166 | -3 | 112.7 | F939 Y940 Y941 | F939-R1049 PolarHBondContact O-NE 2.83Å; Y940-R1049 VanDerWaalsContact O-CA 3.29Å; Y940-R1049 WeakPolarHBondContact O-CA 3.29Å; Y940-R1049 WeakPolarHBondContact O-CB 3.46Å; Y940-R1049 VanDerWaalsContact O-CG 3.24Å; Y940-R1049 WeakPolarHBondContact O-CG 3.26Å; Y941-R1049 CarbonylContact O-C 3.6Å; Y941-R1049 VanDerWaalsContact O-C 3.27Å; Y941-R1049 WeakPolarHBondContact O-CA 3.22Å | |||
| 1050 | T | 24 | Very low | 23.9 | Very low | 115.4 Ų | 115.4 | 143.8 Ų | 143.8 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | -158.2 | 124.2 | 118 | 31.9 | 0 | 0 | 0 | 0 | 115.6 | Y941 V942 Q943 | Y941-T1050 VanDerWaalsContact CB-C 3.47Å; Y941-T1050 VanDerWaalsContact CB-N 3.25Å; Y941-T1050 PolarHBondContact O-N 3.06Å; V942-T1050 CarbonylContact C-O 3.54Å; V942-T1050 VanDerWaalsContact CA-C 3.47Å; V942-T1050 WeakPolarHBondContact CA-O 3.49Å; V942-T1050 PolarHBondContact N-O 2.93Å; Q943-T1050 WeakPolarHBondContact CB-O 3.18Å; Q943-T1050 PolarHBondContact N-O 2.83Å | |||
| 1051 | E | 24.4 | Very low | 23.9 | Very low | 156.2 Ų | 156.2 | 141.1 Ų | 141.1 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | trans | -118.9 | 130.6 | 170.1 | -90.2 | 155.8 | -147.5 | 0 | 0 | 113.4 | Y941 V942 Q943 | Y941-E1051 VanDerWaalsContact CB-N 3.25Å; Y941-E1051 HydrophobicContact CD1-CB 3.46Å; Y941-E1051 VanDerWaalsContact CD1-CB 3.46Å; Y941-E1051 HydrophobicContact CD1-CG 4.29Å; Y941-E1051 HydrophobicContact CD2-CB 3.34Å; Y941-E1051 VanDerWaalsContact CD2-CD 3.43Å; Y941-E1051 HydrophobicContact CD2-CG 3.2Å; Y941-E1051 WeakPolarHBondContact CD2-OE1 2.88Å; Y941-E1051 HydrophobicContact CE1-CB 3.72Å; Y941-E1051 HydrophobicContact CE2-CB 3.61Å; Y941-E1051 HydrophobicContact CE2-CG 3.6Å; Y941-E1051 WeakPolarHBondContact CE2-OE1 3.32Å; Y941-E1051 HydrophobicContact CG-CB 3.24Å; Y941-E1051 HydrophobicContact CG-CG 3.58Å; V942-E1051 CarbonylContact O-C 3.59Å; V942-E1051 WeakPolarHBondContact O-CA 3.38Å; Q943-E1051 WeakPolarHBondContact CB-O 3.36Å; Q943-E1051 WeakPolarHBondContact CG-O 3.5Å | ||
| 1052 | S | 23.4 | Very low | 23.9 | Very low | 94.2 Ų | 94.2 | 142 Ų | 142 | 66% | 0.659 | 76% | 0.763 | S | S | * | * | 135.9 | 139.1 | 83.1 | 58.3 | 0 | 0 | 0 | 0 | 114.8 | V942 Q943 S1054 | V942-S1052 PolarHBondContact O-N 2.82Å; Q943-S1052 PolarHBondContact NE2-OG 3.04Å; S1052-S1054 PolarHBondContact O-N 3.27Å; S1052-S1054 VanDerWaalsContact O-N 3.09Å | |||
| 1053 | N | 23.1 | Very low | 23.9 | Very low | 148.8 Ų | 148.8 | 141.2 Ų | 141.2 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | 12.5 | 129.3 | 163 | -62.6 | -18.1 | 0 | 0 | 0 | 118.9 | S1055 | N1053-S1055 VanDerWaalsContact C-N 3.33Å; N1053-S1055 PolarHBondContact O-N 3.04Å | ||
| 1054 | S | 23.4 | Very low | 24 | Very low | 110.8 Ų | 110.8 | 141.6 Ų | 141.6 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | 58.2 | 128.1 | 148.5 | 66.8 | 0 | 0 | 0 | 0 | 117.8 | S1052 N1056 | S1052-S1054 PolarHBondContact O-N 3.27Å; S1052-S1054 VanDerWaalsContact O-N 3.09Å; S1054-N1056 PolarHBondContact O-N 2.78Å | ||
| 1055 | S | 23.8 | Very low | 24.1 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | 81.8 | 142.3 | 124.8 | 69.2 | 0 | 0 | 0 | 0 | 114.2 | N1053 G1057 | N1053-S1055 VanDerWaalsContact C-N 3.33Å; N1053-S1055 PolarHBondContact O-N 3.04Å; S1055-G1057 PolarHBondContact O-N 3.01Å | |||
| 1056 | N | 24.2 | Very low | 24.2 | Very low | 159.2 Ų | 159.2 | 141.2 Ų | 141.2 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | -66.1 | 117.1 | 169.7 | -74.1 | -21 | 0 | 0 | 0 | 110.5 | S1054 Y1058 | S1054-N1056 PolarHBondContact O-N 2.78Å; N1056-Y1058 PolarHBondContact O-N 3.38Å | ||
| 1057 | G | 23 | Very low | 24.3 | Very low | 67.8 Ų | 67.8 | 141.9 Ų | 141.9 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | -114 | 126.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1055 L1059 | S1055-G1057 PolarHBondContact O-N 3.01Å; G1057-L1059 VanDerWaalsContact C-N 3.31Å; G1057-L1059 PolarHBondContact O-N 2.74Å | ||
| 1058 | Y | 22.7 | Very low | 24.2 | Very low | 212.8 Ų | 212.8 | 138.6 Ų | 138.6 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | -78.3 | 125 | 167.2 | -76.7 | -92.7 | 0 | 0 | 0 | 110.3 | N1056 I1060 K1086 D1885 | N1056-Y1058 PolarHBondContact O-N 3.38Å; Y1058-I1060 PolarHBondContact O-N 2.8Å; Y1058-K1086 PolarHBondContact O-NZ 2.85Å; Y1058-D1885 VanDerWaalsContact CE1-OD2 3.26Å; Y1058-D1885 WeakPolarHBondContact CE1-OD2 3.45Å; Y1058-D1885 PolarHBondContact OH-OD2 3.01Å | ||
| 1059 | L | 24 | Very low | 24.1 | Very low | 152.8 Ų | 152.8 | 138.7 Ų | 138.7 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | -101.2 | 106.9 | 154.2 | -80.5 | 167.6 | 0 | 0 | 0 | 110.3 | G1057 P1061 I1084 | G1057-L1059 VanDerWaalsContact C-N 3.31Å; G1057-L1059 PolarHBondContact O-N 2.74Å; L1059-P1061 WeakPolarHBondContact O-CD 3.45Å; L1059-I1084 HydrophobicContact CD1-CD1 4.12Å; L1059-I1084 HydrophobicContact CD2-CG2 4.13Å | ||
| 1060 | I | 22.4 | Very low | 24.2 | Very low | 142.6 Ų | 142.6 | 135.2 Ų | 135.2 | 73% | 0.731 | 76% | 0.761 | S | S | * | * | trans | -67.9 | 131.5 | 159.6 | -60.4 | 170.6 | 0 | 0 | 0 | 108.9 | Y1058 S1062 | Y1058-I1060 PolarHBondContact O-N 2.8Å; I1060-S1062 PolarHBondContact O-N 3.04Å; I1060-S1062 PolarHBondContact O-OG 2.8Å | ||
| 1061 | P | 23.2 | Very low | 24.2 | Very low | 125.2 Ų | 125.2 | 136 Ų | 136 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | -82.3 | 119.1 | 165.7 | 30 | -29.8 | 0 | 0 | 0 | 110.2 | L1059 T1063 | L1059-P1061 WeakPolarHBondContact O-CD 3.45Å; P1061-T1063 PolarHBondContact O-N 2.99Å | ||
| 1062 | S | 22.8 | Very low | 24.2 | Very low | 104.4 Ų | 104.4 | 133.2 Ų | 133.2 | 73% | 0.73 | 76% | 0.759 | S | S | * | * | trans | -106.9 | 121.7 | 170.9 | 38.1 | 0 | 0 | 0 | 0 | 109.2 | I1060 D1064 | I1060-S1062 PolarHBondContact O-N 3.04Å; I1060-S1062 PolarHBondContact O-OG 2.8Å; S1062-D1064 PolarHBondContact O-N 2.98Å | ||
| 1063 | T | 24.5 | Very low | 24.2 | Very low | 125.8 Ų | 125.8 | 132.7 Ų | 132.7 | 77% | 0.772 | 76% | 0.755 | S | S | * | * | trans | -98.2 | 122.3 | 169.2 | 45.7 | 0 | 0 | 0 | 0 | 109.4 | P1061 D1065 | P1061-T1063 PolarHBondContact O-N 2.99Å; T1063-D1065 PolarHBondContact O-N 3.34Å; T1063-D1065 VanDerWaalsContact O-N 3.13Å | ||
| 1064 | D | 25.9 | Very low | 24.4 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -37.9 | 120.6 | 154 | -66.4 | -40.4 | 0 | 0 | 0 | 112.4 | S1062 | S1062-D1064 PolarHBondContact O-N 2.98Š| ||
| 1065 | D | 26.1 | Very low | 24.5 | Very low | 139.2 Ų | 139.2 | 132.6 Ų | 132.6 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | trans | -128.8 | 136.6 | 149.5 | -81 | -41.6 | 0 | 0 | 0 | 111.7 | T1063 | T1063-D1065 PolarHBondContact O-N 3.34Å; T1063-D1065 VanDerWaalsContact O-N 3.13Å | ||
| 1066 | N | 26 | Very low | 24.6 | Very low | 133.2 Ų | 133.2 | 134.4 Ų | 134.4 | 71% | 0.712 | 75% | 0.747 | S | S | * | * | trans | 137.1 | 137.2 | 132 | -82.6 | -52.9 | 0 | 0 | 0 | 114.6 | ||||
| 1067 | E | 26.7 | Very low | 24.7 | Very low | 177.2 Ų | 177.2 | 131.4 Ų | 131.4 | 83% | 0.828 | 74% | 0.739 | S | S | * | * | trans | 61.5 | 120.8 | 138.9 | -60.7 | -172.2 | 167.1 | 0 | 0 | 118.6 | Y1069 | E1067-Y1069 HydrophobicContact CB-CD2 4.04Å; E1067-Y1069 HydrophobicContact CB-CE2 4.39Å; E1067-Y1069 VanDerWaalsContact CD-CE2 3.4Å; E1067-Y1069 HydrophobicContact CG-CD2 3.89Å; E1067-Y1069 HydrophobicContact CG-CE2 3.72Å; E1067-Y1069 WeakPolarHBondContact OE1-CE2 3.23Å | ||
| 1068 | G | 24.9 | Very low | 24.8 | Very low | 69 Ų | 69 | 137.4 Ų | 137.4 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | -157.6 | 113.5 | 126.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I1070 | G1068-I1070 PolarHBondContact O-N 3.06Š| |||
| 1069 | Y | 22.9 | Very low | 24.9 | Very low | 202 Ų | 202 | 134.9 Ų | 134.9 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | trans | -31.7 | 132 | 150.7 | -89.8 | -98.9 | 0 | 0 | 0 | 114.8 | E1067 | E1067-Y1069 HydrophobicContact CB-CD2 4.04Å; E1067-Y1069 HydrophobicContact CB-CE2 4.39Å; E1067-Y1069 VanDerWaalsContact CD-CE2 3.4Å; E1067-Y1069 HydrophobicContact CG-CD2 3.89Å; E1067-Y1069 HydrophobicContact CG-CE2 3.72Å; E1067-Y1069 WeakPolarHBondContact OE1-CE2 3.23Å | ||
| 1070 | I | 26.1 | Very low | 24.9 | Very low | 142.2 Ų | 142.2 | 134.9 Ų | 134.9 | 73% | 0.729 | 74% | 0.739 | S | S | * | * | 155.6 | 116.6 | 120.8 | -77.4 | 163.1 | 0 | 0 | 0 | 113.6 | G1068 | G1068-I1070 PolarHBondContact O-N 3.06Š| |||
| 1071 | N | 24 | Very low | 24.9 | Very low | 132 Ų | 132 | 137 Ų | 137 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | 26.4 | 132.3 | 145.9 | -51.7 | -18.6 | 0 | 0 | 0 | 118.7 | ||||
| 1072 | S | 25.7 | Very low | 24.9 | Very low | 97.4 Ų | 97.4 | 139.2 Ų | 139.2 | 68% | 0.681 | 74% | 0.739 | S | S | * | * | -160.4 | 134.8 | 97.7 | 43.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1073 | S | 23.8 | Very low | 24.9 | Very low | 83.8 Ų | 83.8 | 139.1 Ų | 139.1 | 59% | 0.586 | 74% | 0.738 | S | S | * | * | trans | 12.9 | 116.4 | 141.9 | 63.7 | 0 | 0 | 0 | 0 | 115.9 | Y1019 | Y1019-S1073 WeakPolarHBondContact CD2-OG 3.48Å; Y1019-S1073 WeakPolarHBondContact CE2-O 3.49Å; Y1019-S1073 VanDerWaalsContact CZ-C 3.47Å; Y1019-S1073 PolarHBondContact OH-O 3.31Å; Y1019-S1073 VanDerWaalsContact OH-O 3.13Å | ||
| 1074 | D | 26.3 | Very low | 24.9 | Very low | 126.6 Ų | 126.6 | 139.3 Ų | 139.3 | 68% | 0.677 | 73% | 0.733 | S | S | * | * | 163.8 | 118 | 129.8 | -78.8 | -22.8 | 0 | 0 | 0 | 114.8 | Y1019 K1021 N1076 | Y1019-D1074 HydrophobicContact CD1-CB 4.12Å; Y1019-D1074 WeakPolarHBondContact CD1-OD2 3.2Å; Y1019-D1074 HydrophobicContact CE1-CB 3.48Å; Y1019-D1074 VanDerWaalsContact CE1-CB 3.48Å; Y1019-D1074 WeakPolarHBondContact CE1-OD2 3.2Å; Y1019-D1074 PolarHBondContact OH-N 2.97Å; K1021-D1074 VanDerWaalsContact CE-CG 3.47Å; K1021-D1074 WeakPolarHBondContact CE-OD1 3.28Å; K1021-D1074 WeakPolarHBondContact CE-OD2 3.4Å; K1021-D1074 IonicContact NZ-OD1 3.65Å; K1021-D1074 PolarHBondContact NZ-OD1 3.17Å; K1021-D1074 IonicContact NZ-OD2 2.89Å; D1074-N1076 VanDerWaalsContact C-N 3.3Å; D1074-N1076 PolarHBondContact O-N 3.11Å | |||
| 1075 | D | 26 | Very low | 24.8 | Very low | 131.4 Ų | 131.4 | 138.9 Ų | 138.9 | 70% | 0.703 | 73% | 0.73 | S | S | * | * | trans | 40.4 | 115.3 | 148.1 | -113.8 | -9 | 0 | 0 | 0 | 115.4 | K1078 | D1075-K1078 IonicContact OD1-NZ 2.57Å; D1075-K1078 WeakPolarHBondContact OD2-CE 3.36Å; D1075-K1078 IonicContact OD2-NZ 3.86Å; D1075-K1078 PolarHBondContact OD2-NZ 3.17Å | ||
| 1076 | N | 24.7 | Very low | 24.9 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | trans | 164.8 | 96.1 | 147.5 | -100.8 | -49.7 | 0 | 0 | 0 | 116.7 | D1074 | D1074-N1076 VanDerWaalsContact C-N 3.3Å; D1074-N1076 PolarHBondContact O-N 3.11Å | ||
| 1077 | S | 26.5 | Very low | 24.9 | Very low | 96.6 Ų | 96.6 | 142.8 Ų | 142.8 | 68% | 0.676 | 73% | 0.734 | S | S | * | * | trans | 107.9 | 102.8 | 152.2 | 68.9 | 0 | 0 | 0 | 0 | 118.1 | I1079 | S1077-I1079 PolarHBondContact O-N 2.9Å; S1077-I1079 VanDerWaalsContact O-N 3.11Å | ||
| 1078 | K | 25.3 | Very low | 24.9 | Very low | 193.8 Ų | 193.8 | 142.9 Ų | 142.9 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | trans | -33 | 67.5 | 154.9 | -69.3 | 172.1 | 180 | 166.4 | 0 | 114.8 | D1075 K1080 | D1075-K1078 IonicContact OD1-NZ 2.57Å; D1075-K1078 WeakPolarHBondContact OD2-CE 3.36Å; D1075-K1078 IonicContact OD2-NZ 3.86Å; D1075-K1078 PolarHBondContact OD2-NZ 3.17Å; K1078-K1080 VanDerWaalsContact C-N 3.35Å; K1078-K1080 PolarHBondContact O-N 2.99Å | ||
| 1079 | I | 25.5 | Very low | 25 | Very low | 159.8 Ų | 159.8 | 143.5 Ų | 143.5 | 82% | 0.819 | 73% | 0.727 | S | S | * | * | trans | -91.3 | 121.7 | 154.3 | -63.9 | 178 | 0 | 0 | 0 | 107.8 | S1077 Q1081 | S1077-I1079 PolarHBondContact O-N 2.9Å; S1077-I1079 VanDerWaalsContact O-N 3.11Å; I1079-Q1081 PolarHBondContact O-N 3.16Å | ||
| 1080 | K | 24.4 | Very low | 25.3 | Very low | 153.4 Ų | 153.4 | 142.4 Ų | 142.4 | 67% | 0.667 | 73% | 0.727 | S | S | * | * | trans | -71.8 | 116.8 | -178.6 | -65.5 | 175.3 | -176.1 | 171.7 | 0 | 109.9 | K1078 Y1082 E1183 | K1078-K1080 VanDerWaalsContact C-N 3.35Å; K1078-K1080 PolarHBondContact O-N 2.99Å; K1080-Y1082 HydrophobicContact CB-CD2 4.23Å; K1080-Y1082 HydrophobicContact CB-CE2 4.14Å; K1080-Y1082 HydrophobicContact CD-CE2 4.22Å; K1080-Y1082 VanDerWaalsContact O-CD2 3.31Å; K1080-Y1082 WeakPolarHBondContact O-CD2 3.48Å; K1080-Y1082 PolarHBondContact O-N 3.08Å; K1080-Y1082 VanDerWaalsContact O-N 3.13Å; K1080-E1183 WeakPolarHBondContact CD-OE1 3.21Å; K1080-E1183 IonicContact NZ-OE1 3.27Å; K1080-E1183 PolarHBondContact NZ-OE1 3.39Å; K1080-E1183 IonicContact NZ-OE2 2.87Å; K1080-E1183 PolarHBondContact NZ-OE2 3.27Å | ||
| 1081 | Q | 22.5 | Very low | 25.4 | Very low | 186.2 Ų | 186.2 | 143.6 Ų | 143.6 | 87% | 0.87 | 72% | 0.723 | S | S | * | * | trans | -71.9 | 107.8 | 162.5 | -74.5 | -179.3 | -32.1 | 0 | 0 | 109.4 | I1079 S1083 | I1079-Q1081 PolarHBondContact O-N 3.16Å; Q1081-S1083 PolarHBondContact O-N 3.05Å; Q1081-S1083 VanDerWaalsContact O-N 3.14Å | ||
| 1082 | Y | 22.8 | Very low | 25.7 | Very low | 171.8 Ų | 171.8 | 142.7 Ų | 142.7 | 67% | 0.674 | 73% | 0.727 | S | S | * | * | trans | -83.4 | 91.4 | 167.9 | -77.1 | -86.8 | 0 | 0 | 0 | 109.3 | K1080 I1084 E1183 | K1080-Y1082 HydrophobicContact CB-CD2 4.23Å; K1080-Y1082 HydrophobicContact CB-CE2 4.14Å; K1080-Y1082 HydrophobicContact CD-CE2 4.22Å; K1080-Y1082 VanDerWaalsContact O-CD2 3.31Å; K1080-Y1082 WeakPolarHBondContact O-CD2 3.48Å; K1080-Y1082 PolarHBondContact O-N 3.08Å; K1080-Y1082 VanDerWaalsContact O-N 3.13Å; Y1082-I1084 PolarHBondContact O-N 3Å; Y1082-I1084 VanDerWaalsContact O-N 3.07Å; Y1082-E1183 HydrophobicContact CE2-CG 4.19Å; Y1082-E1183 PolarHBondContact OH-OE1 3.03Å | ||
| 1083 | S | 22.7 | Very low | 26 | Very low | 103.4 Ų | 103.4 | 142.3 Ų | 142.3 | 72% | 0.723 | 72% | 0.721 | S | S | * | * | trans | -73 | 91.4 | 169.8 | 45.1 | 0 | 0 | 0 | 0 | 110.3 | Q1081 L1085 | Q1081-S1083 PolarHBondContact O-N 3.05Å; Q1081-S1083 VanDerWaalsContact O-N 3.14Å; S1083-L1085 VanDerWaalsContact C-N 3.27Å; S1083-L1085 PolarHBondContact O-N 3.25Å | ||
| 1084 | I | 24.7 | Very low | 26.8 | Very low | 128.8 Ų | 128.8 | 142.6 Ų | 142.6 | 66% | 0.661 | 72% | 0.716 | S | S | * | * | trans | -73.2 | 83.7 | 173.5 | -55.8 | -179.1 | 0 | 0 | 0 | 108.9 | L1059 Y1082 K1086 L1181 | L1059-I1084 HydrophobicContact CD1-CD1 4.12Å; L1059-I1084 HydrophobicContact CD2-CG2 4.13Å; Y1082-I1084 PolarHBondContact O-N 3Å; Y1082-I1084 VanDerWaalsContact O-N 3.07Å; I1084-K1086 PolarHBondContact O-N 3Å; I1084-K1086 VanDerWaalsContact O-N 3.1Å; I1084-L1181 HydrophobicContact CD1-CD2 3.57Å | ||
| 1085 | L | 23.8 | Very low | 27.4 | Very low | 144.2 Ų | 144.2 | 139.4 Ų | 139.4 | 76% | 0.755 | 71% | 0.707 | S | S | * | * | trans | -77.8 | 99 | 176.4 | -110.9 | 135.1 | 0 | 0 | 0 | 110.4 | S1083 K1087 | S1083-L1085 VanDerWaalsContact C-N 3.27Å; S1083-L1085 PolarHBondContact O-N 3.25Å; L1085-K1087 HydrophobicContact CB-CB 4.25Å; L1085-K1087 HydrophobicContact CD2-CB 4.27Å; L1085-K1087 HydrophobicContact CD2-CD 3.9Å; L1085-K1087 HydrophobicContact CD2-CG 4.13Å; L1085-K1087 PolarHBondContact O-N 3.15Å; L1085-K1087 VanDerWaalsContact O-N 3.08Å | ||
| 1086 | K | 26.9 | Very low | 28.2 | Very low | 169.4 Ų | 169.4 | 138.7 Ų | 138.7 | 74% | 0.737 | 70% | 0.703 | S | S | * | * | trans | -66.8 | 100.4 | 167.9 | -83.9 | -178.3 | 175 | 178.1 | 0 | 110.3 | Y1058 I1084 H1088 S1089 | Y1058-K1086 PolarHBondContact O-NZ 2.85Å; I1084-K1086 PolarHBondContact O-N 3Å; I1084-K1086 VanDerWaalsContact O-N 3.1Å; K1086-H1088 PolarHBondContact O-N 3.19Å; K1086-S1089 PolarHBondContact O-N 3.26Å; K1086-S1089 VanDerWaalsContact O-N 3.13Å; K1086-S1089 PolarHBondContact O-OG 3.35Å | ||
| 1087 | K | 26.7 | Very low | 29.3 | Very low | 185.2 Ų | 185.2 | 133.4 Ų | 133.4 | 81% | 0.805 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | 31.8 | 175.2 | -78.2 | -170.2 | 173.9 | -178.9 | 0 | 114.6 | L1085 S1089 | L1085-K1087 HydrophobicContact CB-CB 4.25Å; L1085-K1087 HydrophobicContact CD2-CB 4.27Å; L1085-K1087 HydrophobicContact CD2-CD 3.9Å; L1085-K1087 HydrophobicContact CD2-CG 4.13Å; L1085-K1087 PolarHBondContact O-N 3.15Å; L1085-K1087 VanDerWaalsContact O-N 3.08Å; K1087-S1089 PolarHBondContact O-N 3.45Å |
| 1088 | H | 27.1 | Very low | 30.5 | Very low | 179 Ų | 179 | 131.6 Ų | 131.6 | 83% | 0.829 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.2 | 37.3 | 178.9 | -63.9 | -64.8 | 0 | 0 | 0 | 113.4 | K1086 K1090 | K1086-H1088 PolarHBondContact O-N 3.19Å; H1088-K1090 PolarHBondContact O-N 3.14Å |
| 1089 | S | 27.1 | Very low | 31.9 | Very low | 81.8 Ų | 81.8 | 124.9 Ų | 124.9 | 57% | 0.572 | 63% | 0.631 | S | S | * | * | trans | -73.6 | 108.4 | 164.8 | 68.1 | 0 | 0 | 0 | 0 | 110 | K1086 K1087 Y1091 | K1086-S1089 PolarHBondContact O-N 3.26Å; K1086-S1089 VanDerWaalsContact O-N 3.13Å; K1086-S1089 PolarHBondContact O-OG 3.35Å; K1087-S1089 PolarHBondContact O-N 3.45Å; S1089-Y1091 WeakPolarHBondContact CB-O 3.3Å; S1089-Y1091 PolarHBondContact O-N 3.1Å; S1089-Y1091 VanDerWaalsContact O-N 3.1Å; S1089-Y1091 PolarHBondContact OG-N 3.03Å; S1089-Y1091 VanDerWaalsContact OG-N 3.16Å; S1089-Y1091 PolarHBondContact OG-O 2.67Å | ||
| 1090 | K | 29.4 | Very low | 33.4 | Very low | 180.2 Ų | 180.2 | 119.6 Ų | 119.6 | 78% | 0.783 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -84.1 | 21.5 | 173.1 | -82.3 | -158 | 176.1 | 173.4 | 0 | 112.8 | F1039 H1088 S1092 | F1039-K1090 HydrophobicContact CB-CB 4.12Å; F1039-K1090 HydrophobicContact CB-CD 3.78Å; F1039-K1090 HydrophobicContact CB-CG 3.66Å; F1039-K1090 VanDerWaalsContact CB-NZ 3.28Å; F1039-K1090 HydrophobicContact CD1-CB 3.4Å; F1039-K1090 HydrophobicContact CD1-CD 4.23Å; F1039-K1090 HydrophobicContact CD1-CG 3.93Å; F1039-K1090 HydrophobicContact CD2-CB 3.72Å; F1039-K1090 HydrophobicContact CD2-CG 3.93Å; F1039-K1090 HydrophobicContact CE1-CB 3.46Å; F1039-K1090 VanDerWaalsContact CE1-CB 3.46Å; F1039-K1090 HydrophobicContact CE1-CG 4.45Å; F1039-K1090 HydrophobicContact CE2-CB 3.77Å; F1039-K1090 HydrophobicContact CE2-CG 4.45Å; F1039-K1090 HydrophobicContact CG-CB 3.52Å; F1039-K1090 HydrophobicContact CG-CD 4.14Å; F1039-K1090 HydrophobicContact CG-CG 3.63Å; F1039-K1090 HydrophobicContact CZ-CB 3.64Å; F1039-K1090 PolarHBondContact O-NZ 2.74Å; H1088-K1090 PolarHBondContact O-N 3.14Å; K1090-S1092 PolarHBondContact O-N 2.98Å |
| 1091 | Y | 28.7 | Very low | 35 | Very low | 167.4 Ų | 167.4 | 113.8 Ų | 113.8 | 66% | 0.656 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -102 | 109.5 | 170.5 | -66.8 | -78 | 0 | 0 | 0 | 108.3 | F1039 S1089 T1093 | F1039-Y1091 HydrophobicContact CE1-CD2 4.42Å; F1039-Y1091 HydrophobicContact CE1-CE1 4.22Å; F1039-Y1091 AromaticContact CE1-CE2 3.9Å; F1039-Y1091 HydrophobicContact CE1-CE2 3.9Å; F1039-Y1091 AromaticContact CE1-CZ 3.78Å; F1039-Y1091 HydrophobicContact CZ-CD2 4.04Å; F1039-Y1091 AromaticContact CZ-CE2 3.59Å; F1039-Y1091 HydrophobicContact CZ-CE2 3.59Å; F1039-Y1091 AromaticContact CZ-CZ 3.96Å; S1089-Y1091 WeakPolarHBondContact CB-O 3.3Å; S1089-Y1091 PolarHBondContact O-N 3.1Å; S1089-Y1091 VanDerWaalsContact O-N 3.1Å; S1089-Y1091 PolarHBondContact OG-N 3.03Å; S1089-Y1091 VanDerWaalsContact OG-N 3.16Å; S1089-Y1091 PolarHBondContact OG-O 2.67Å; Y1091-T1093 VanDerWaalsContact C-N 3.29Å; Y1091-T1093 HydrophobicContact CD1-CG2 4.31Å; Y1091-T1093 PolarHBondContact O-N 3.13Å |
| 1092 | S | 28.8 | Very low | 36.8 | Very low | 112.4 Ų | 112.4 | 105.5 Ų | 105.5 | 79% | 0.786 | 55% | 0.547 | S | S | * | . | trans | -77.4 | 70.6 | 171.8 | 144 | 0 | 0 | 0 | 0 | 109.8 | K1090 D1094 | K1090-S1092 PolarHBondContact O-N 2.98Å; S1092-D1094 VanDerWaalsContact C-N 3.32Å; S1092-D1094 PolarHBondContact O-N 3.25Å; S1092-D1094 VanDerWaalsContact OG-CB 3.32Å; S1092-D1094 WeakPolarHBondContact OG-CB 3.47Å | ||
| 1093 | T | 32.9 | Very low | 38.7 | Very low | 89.6 Ų | 89.6 | 101.1 Ų | 101.1 | 55% | 0.55 | 53% | 0.533 | S | S | . | . | trans | -74.8 | 94.5 | 173.6 | 45.1 | 0 | 0 | 0 | 0 | 108.8 | Y1091 A1095 | Y1091-T1093 VanDerWaalsContact C-N 3.29Å; Y1091-T1093 HydrophobicContact CD1-CG2 4.31Å; Y1091-T1093 PolarHBondContact O-N 3.13Å; T1093-A1095 VanDerWaalsContact C-N 3.33Å; T1093-A1095 PolarHBondContact O-N 3.2Å | ||
| 1094 | D | 39.2 | Very low | 40.5 | Very low | 88.8 Ų | 88.8 | 100.9 Ų | 100.9 | 48% | 0.475 | 52% | 0.521 | S | S | . | . | trans | -67.4 | 88.4 | 166.3 | -171.7 | 15.9 | 0 | 0 | 0 | 110.1 | S1092 N1096 S1097 H1098 | S1092-D1094 VanDerWaalsContact C-N 3.32Å; S1092-D1094 PolarHBondContact O-N 3.25Å; S1092-D1094 VanDerWaalsContact OG-CB 3.32Å; S1092-D1094 WeakPolarHBondContact OG-CB 3.47Å; D1094-N1096 PolarHBondContact O-N 3.16Å; D1094-N1096 VanDerWaalsContact O-N 3.14Å; D1094-N1096 VanDerWaalsContact OD1-CB 3.28Å; D1094-N1096 WeakPolarHBondContact OD1-CB 3.44Å; D1094-N1096 PolarHBondContact OD1-N 3.05Å; D1094-N1096 PolarHBondContact OD1-ND2 2.77Å; D1094-S1097 WeakPolarHBondContact CB-OG 3.42Å; D1094-S1097 VanDerWaalsContact CG-CB 3.46Å; D1094-S1097 WeakPolarHBondContact O-CA 3.32Å; D1094-S1097 VanDerWaalsContact O-CB 3.32Å; D1094-S1097 WeakPolarHBondContact O-CB 3.41Å; D1094-S1097 PolarHBondContact O-N 2.96Å; D1094-S1097 PolarHBondContact O-OG 3.19Å; D1094-S1097 WeakPolarHBondContact OD2-CB 3.45Å; D1094-S1097 PolarHBondContact OD2-OG 2.92Å; D1094-H1098 PolarHBondContact O-CD2 3.14Å; D1094-H1098 PolarHBondContact O-N 3.28Å | ||
| 1095 | A | 40.9 | Very low | 42.3 | Very low | 59.2 Ų | 59.2 | 95.3 Ų | 95.3 | 49% | 0.489 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.1 | -33.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1093 S1097 H1098 L1099 | T1093-A1095 VanDerWaalsContact C-N 3.33Å; T1093-A1095 PolarHBondContact O-N 3.2Å; A1095-S1097 VanDerWaalsContact C-N 3.29Å; A1095-S1097 PolarHBondContact O-N 3.28Å; A1095-H1098 PolarHBondContact O-N 2.9Å; A1095-L1099 VanDerWaalsContact O-CB 3.27Å; A1095-L1099 WeakPolarHBondContact O-CB 3.37Å; A1095-L1099 PolarHBondContact O-N 3.16Å; A1095-L1099 VanDerWaalsContact O-N 3.12Å |
| 1096 | N | 42 | Very low | 44.1 | Very low | 118 Ų | 118 | 89.1 Ų | 89.1 | 63% | 0.631 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.2 | -32.7 | 177.3 | -63 | -36.2 | 0 | 0 | 0 | 112.7 | D1094 L1099 S1100 | D1094-N1096 PolarHBondContact O-N 3.16Å; D1094-N1096 VanDerWaalsContact O-N 3.14Å; D1094-N1096 VanDerWaalsContact OD1-CB 3.28Å; D1094-N1096 WeakPolarHBondContact OD1-CB 3.44Å; D1094-N1096 PolarHBondContact OD1-N 3.05Å; D1094-N1096 PolarHBondContact OD1-ND2 2.77Å; N1096-L1099 PolarHBondContact O-N 3.15Å; N1096-S1100 VanDerWaalsContact O-CB 3.29Å; N1096-S1100 WeakPolarHBondContact O-CB 3.36Å; N1096-S1100 PolarHBondContact O-N 3.08Å; N1096-S1100 PolarHBondContact O-OG 3.3Å |
| 1097 | S | 48.3 | Very low | 45.8 | Very low | 31.4 Ų | 31.4 | 85.3 Ų | 85.3 | 22% | 0.22 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -75.5 | -33.3 | 178.8 | 75 | 0 | 0 | 0 | 0 | 112.7 | D1094 A1095 S1100 T1101 R1122 | D1094-S1097 WeakPolarHBondContact CB-OG 3.42Å; D1094-S1097 VanDerWaalsContact CG-CB 3.46Å; D1094-S1097 WeakPolarHBondContact O-CA 3.32Å; D1094-S1097 VanDerWaalsContact O-CB 3.32Å; D1094-S1097 WeakPolarHBondContact O-CB 3.41Å; D1094-S1097 PolarHBondContact O-N 2.96Å; D1094-S1097 PolarHBondContact O-OG 3.19Å; D1094-S1097 WeakPolarHBondContact OD2-CB 3.45Å; D1094-S1097 PolarHBondContact OD2-OG 2.92Å; A1095-S1097 VanDerWaalsContact C-N 3.29Å; A1095-S1097 PolarHBondContact O-N 3.28Å; S1097-S1100 WeakPolarHBondContact CA-OG 3.25Å; S1097-S1100 PolarHBondContact O-N 2.98Å; S1097-S1100 PolarHBondContact O-OG 3.11Å; S1097-T1101 PolarHBondContact O-N 3.02Å; S1097-T1101 PolarHBondContact O-OG1 3.26Å; S1097-R1122 PolarHBondContact O-NH1 3.31Å; S1097-R1122 PolarHBondContact OG-NH1 2.92Å; S1097-R1122 PolarHBondContact OG-NH2 3.09Å |
| 1098 | H | 50.4 | Low | 47.5 | Very low | 59.8 Ų | 59.8 | 79.3 Ų | 79.3 | 28% | 0.277 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -73.5 | -38.2 | 170.7 | -68.8 | -79.2 | 0 | 0 | 0 | 111.6 | D1094 A1095 S1100 T1101 L1102 R1122 E1125 L1126 | D1094-H1098 PolarHBondContact O-CD2 3.14Å; D1094-H1098 PolarHBondContact O-N 3.28Å; A1095-H1098 PolarHBondContact O-N 2.9Å; H1098-S1100 VanDerWaalsContact C-N 3.33Å; H1098-S1100 PolarHBondContact O-N 2.92Å; H1098-T1101 WeakPolarHBondContact O-CB 3.46Å; H1098-T1101 PolarHBondContact O-N 3.31Å; H1098-L1102 VanDerWaalsContact O-CB 3.27Å; H1098-L1102 WeakPolarHBondContact O-CB 3.32Å; H1098-L1102 WeakPolarHBondContact O-CG 3.4Å; H1098-L1102 PolarHBondContact O-N 3.32Å; H1098-R1122 PolarHBondContact CD2-NH1 2.82Å; H1098-R1122 VanDerWaalsContact CE1-CZ 3.42Å; H1098-R1122 PolarHBondContact CE1-NH1 2.89Å; H1098-R1122 VanDerWaalsContact NE2-CZ 3.27Å; H1098-R1122 PolarHBondContact NE2-NH1 3.02Å; H1098-R1122 VanDerWaalsContact NE2-NH1 3.16Å; H1098-R1122 PolarHBondContact NE2-NH2 3.35Å; H1098-E1125 IonicContact CE1-OE2 3.29Å; H1098-E1125 PolarHBondContact CE1-OE2 3.19Å; H1098-E1125 VanDerWaalsContact CE1-OE2 3.29Å; H1098-E1125 IonicContact NE2-OE2 3.32Å; H1098-L1126 HydrophobicContact CB-CD1 4.24Å; H1098-L1126 HydrophobicContact CB-CD2 4.1Å; H1098-L1126 HydrophobicContact CB-CG 4.21Å |
| 1099 | L | 54.9 | Low | 49.2 | Very low | 54 Ų | 54 | 73 Ų | 73 | 28% | 0.283 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 177.5 | -164.8 | 70.4 | 0 | 0 | 0 | 111.7 | L794 S796 A1095 N1096 T1101 L1102 Q1103 L1176 L1181 V1182 | L794-L1099 HydrophobicContact CD2-CD1 3.7Å; L794-L1099 HydrophobicContact CG-CD1 4.35Å; S796-L1099 WeakPolarHBondContact OG-CG 3.17Å; A1095-L1099 VanDerWaalsContact O-CB 3.27Å; A1095-L1099 WeakPolarHBondContact O-CB 3.37Å; A1095-L1099 PolarHBondContact O-N 3.16Å; A1095-L1099 VanDerWaalsContact O-N 3.12Å; N1096-L1099 PolarHBondContact O-N 3.15Å; L1099-T1101 VanDerWaalsContact C-N 3.33Å; L1099-T1101 PolarHBondContact O-N 3.06Å; L1099-L1102 HydrophobicContact CD1-CD1 4.19Å; L1099-L1102 CarbonylContact O-C 3.59Å; L1099-L1102 WeakPolarHBondContact O-CB 3.2Å; L1099-L1102 PolarHBondContact O-N 3.12Å; L1099-L1102 VanDerWaalsContact O-N 3.16Å; L1099-Q1103 VanDerWaalsContact O-CB 3.27Å; L1099-Q1103 WeakPolarHBondContact O-CB 3.35Å; L1099-Q1103 WeakPolarHBondContact O-CG 3.31Å; L1099-Q1103 PolarHBondContact O-N 3.01Å; L1099-L1176 HydrophobicContact CD1-CD2 3.9Å; L1099-L1181 HydrophobicContact CD1-CB 3.94Å; L1099-L1181 WeakPolarHBondContact CD1-O 3.34Å; L1099-L1181 VanDerWaalsContact CD2-O 3.3Å; L1099-L1181 WeakPolarHBondContact CD2-O 3.48Å; L1099-V1182 HydrophobicContact CD1-CG2 3.86Å; L1099-V1182 HydrophobicContact CD2-CG2 4.34Å; L1099-V1182 HydrophobicContact CG-CG2 4.28Å |
| 1100 | S | 56.9 | Low | 51.1 | Low | 47.2 Ų | 47.2 | 70.4 Ų | 70.4 | 33% | 0.33 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 174.8 | 79.9 | 0 | 0 | 0 | 0 | 112.5 | S797 N1096 S1097 H1098 L1102 Q1103 Q1104 | S797-S1100 WeakPolarHBondContact OG-CA 3.36Å; N1096-S1100 VanDerWaalsContact O-CB 3.29Å; N1096-S1100 WeakPolarHBondContact O-CB 3.36Å; N1096-S1100 PolarHBondContact O-N 3.08Å; N1096-S1100 PolarHBondContact O-OG 3.3Å; S1097-S1100 WeakPolarHBondContact CA-OG 3.25Å; S1097-S1100 PolarHBondContact O-N 2.98Å; S1097-S1100 PolarHBondContact O-OG 3.11Å; H1098-S1100 VanDerWaalsContact C-N 3.33Å; H1098-S1100 PolarHBondContact O-N 2.92Å; S1100-L1102 VanDerWaalsContact C-N 3.32Å; S1100-L1102 PolarHBondContact O-N 3.48Å; S1100-Q1103 WeakPolarHBondContact O-CB 3.29Å; S1100-Q1103 PolarHBondContact O-N 3.18Å; S1100-Q1104 WeakPolarHBondContact O-CB 3.14Å; S1100-Q1104 WeakPolarHBondContact O-CG 3.32Å; S1100-Q1104 PolarHBondContact O-N 3.03Å; S1100-Q1104 VanDerWaalsContact O-N 3.08Å |
| 1101 | T | 58.9 | Low | 53.2 | Low | 31.8 Ų | 31.8 | 61.9 Ų | 61.9 | 20% | 0.195 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 175.4 | -51 | 0 | 0 | 0 | 0 | 111.6 | S1097 H1098 L1099 Q1103 Q1104 L1105 V1119 R1122 | S1097-T1101 PolarHBondContact O-N 3.02Å; S1097-T1101 PolarHBondContact O-OG1 3.26Å; H1098-T1101 WeakPolarHBondContact O-CB 3.46Å; H1098-T1101 PolarHBondContact O-N 3.31Å; L1099-T1101 VanDerWaalsContact C-N 3.33Å; L1099-T1101 PolarHBondContact O-N 3.06Å; T1101-Q1103 VanDerWaalsContact C-N 3.33Å; T1101-Q1103 PolarHBondContact O-N 2.94Å; T1101-Q1104 WeakPolarHBondContact O-CB 3.32Å; T1101-Q1104 PolarHBondContact O-N 3.06Å; T1101-L1105 HydrophobicContact CG2-CD1 4.23Å; T1101-L1105 WeakPolarHBondContact O-CD1 3.46Å; T1101-L1105 WeakPolarHBondContact O-CG 3.39Å; T1101-L1105 PolarHBondContact O-N 3.24Å; T1101-L1105 VanDerWaalsContact O-N 3.12Å; T1101-V1119 HydrophobicContact CG2-CB 4.25Å; T1101-V1119 HydrophobicContact CG2-CG1 3.92Å; T1101-V1119 HydrophobicContact CG2-CG2 4Å; T1101-R1122 HydrophobicContact CG2-CB 4.05Å; T1101-R1122 HydrophobicContact CG2-CG 4Å; T1101-R1122 WeakPolarHBondContact OG1-CD 3.46Å; T1101-R1122 PolarHBondContact OG1-NH1 3.49Å |
| 1102 | L | 59.6 | Low | 55.4 | Low | 11.4 Ų | 11.4 | 56.4 Ų | 56.4 | 6% | 0.06 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 173.2 | -86.8 | 161.8 | 0 | 0 | 0 | 112.4 | H1098 L1099 S1100 Q1104 L1105 T1106 V1119 R1122 L1126 L1142 I1172 Y1173 L1176 | H1098-L1102 VanDerWaalsContact O-CB 3.27Å; H1098-L1102 WeakPolarHBondContact O-CB 3.32Å; H1098-L1102 WeakPolarHBondContact O-CG 3.4Å; H1098-L1102 PolarHBondContact O-N 3.32Å; L1099-L1102 HydrophobicContact CD1-CD1 4.19Å; L1099-L1102 CarbonylContact O-C 3.59Å; L1099-L1102 WeakPolarHBondContact O-CB 3.2Å; L1099-L1102 PolarHBondContact O-N 3.12Å; L1099-L1102 VanDerWaalsContact O-N 3.16Å; S1100-L1102 VanDerWaalsContact C-N 3.32Å; S1100-L1102 PolarHBondContact O-N 3.48Å; L1102-Q1104 VanDerWaalsContact C-N 3.31Å; L1102-Q1104 PolarHBondContact O-N 2.76Å; L1102-L1105 HydrophobicContact CD2-CD1 4.18Å; L1102-L1105 CarbonylContact O-C 3.55Å; L1102-L1105 WeakPolarHBondContact O-CA 3.4Å; L1102-L1105 WeakPolarHBondContact O-CB 3.35Å; L1102-L1105 PolarHBondContact O-N 2.98Å; L1102-L1105 VanDerWaalsContact O-N 3.14Å; L1102-T1106 WeakPolarHBondContact O-CB 3.41Å; L1102-T1106 WeakPolarHBondContact O-CG2 3.23Å; L1102-T1106 PolarHBondContact O-N 2.95Å; L1102-T1106 VanDerWaalsContact O-N 3.1Å; L1102-T1106 PolarHBondContact O-OG1 3.06Å; L1102-V1119 HydrophobicContact CD2-CB 4.39Å; L1102-V1119 HydrophobicContact CD2-CG1 3.94Å; L1102-V1119 HydrophobicContact CD2-CG2 4.01Å; L1102-R1122 HydrophobicContact CD1-CB 4.08Å; L1102-R1122 HydrophobicContact CD1-CG 3.92Å; L1102-L1126 HydrophobicContact CD1-CD1 3.67Å; L1102-L1126 HydrophobicContact CD1-CD2 4.09Å; L1102-L1126 HydrophobicContact CD1-CG 4.46Å; L1102-L1126 HydrophobicContact CD2-CD1 4Å; L1102-L1126 HydrophobicContact CG-CD1 3.74Å; L1102-L1142 HydrophobicContact CD2-CD1 3.97Å; L1102-L1142 HydrophobicContact CD2-CD2 3.78Å; L1102-L1142 HydrophobicContact CD2-CG 4.44Å; L1102-I1172 HydrophobicContact CD2-CG2 4.25Å; L1102-Y1173 HydrophobicContact CD2-CD2 4.14Å; L1102-L1176 HydrophobicContact CB-CD1 4.24Å; L1102-L1176 HydrophobicContact CB-CD2 4.3Å; L1102-L1176 HydrophobicContact CD1-CB 4.03Å; L1102-L1176 HydrophobicContact CD1-CD2 4.08Å; L1102-L1176 HydrophobicContact CD2-CB 3.95Å; L1102-L1176 HydrophobicContact CD2-CD1 3.86Å; L1102-L1176 VanDerWaalsContact CD2-CD1 3.49Å; L1102-L1176 HydrophobicContact CD2-CD2 4.33Å; L1102-L1176 HydrophobicContact CD2-CG 4.3Å; L1102-L1176 HydrophobicContact CG-CB 4.11Å; L1102-L1176 HydrophobicContact CG-CD1 3.7Å; L1102-L1176 HydrophobicContact CG-CG 4.41Å |
| 1103 | Q | 62.3 | Low | 57.6 | Low | 79.2 Ų | 79.2 | 52.1 Ų | 52.1 | 37% | 0.37 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.9 | -35.5 | 177 | -150.3 | 162.5 | 2.7 | 0 | 0 | 112.1 | I795 S796 S797 L1099 S1100 T1101 L1105 T1106 T1107 | I795-Q1103 HydrophobicContact CG2-CB 4.32Å; I795-Q1103 HydrophobicContact CG2-CG 4.44Å; I795-Q1103 VanDerWaalsContact CG2-OE1 3.23Å; I795-Q1103 PolarHBondContact O-NE2 2.96Å; I795-Q1103 PolarHBondContact O-OE1 3.37Å; S796-Q1103 VanDerWaalsContact C-CD 3.48Å; S796-Q1103 VanDerWaalsContact CA-OE1 3.24Å; S796-Q1103 VanDerWaalsContact O-CD 3.22Å; S796-Q1103 PolarHBondContact O-NE2 3.49Å; S796-Q1103 PolarHBondContact O-OE1 3.27Å; S796-Q1103 PolarHBondContact OG-OE1 3.41Å; S797-Q1103 WeakPolarHBondContact O-CG 3.27Å; S797-Q1103 PolarHBondContact O-NE2 2.82Å; S797-Q1103 PolarHBondContact O-OE1 3.5Å; S797-Q1103 VanDerWaalsContact OG-CB 3.31Å; S797-Q1103 WeakPolarHBondContact OG-CB 3.45Å; S797-Q1103 PolarHBondContact OG-OE1 3.42Å; L1099-Q1103 VanDerWaalsContact O-CB 3.27Å; L1099-Q1103 WeakPolarHBondContact O-CB 3.35Å; L1099-Q1103 WeakPolarHBondContact O-CG 3.31Å; L1099-Q1103 PolarHBondContact O-N 3.01Å; S1100-Q1103 WeakPolarHBondContact O-CB 3.29Å; S1100-Q1103 PolarHBondContact O-N 3.18Å; T1101-Q1103 VanDerWaalsContact C-N 3.33Å; T1101-Q1103 PolarHBondContact O-N 2.94Å; Q1103-L1105 VanDerWaalsContact C-N 3.31Å; Q1103-L1105 PolarHBondContact O-N 3.35Å; Q1103-T1106 WeakPolarHBondContact CA-OG1 3.36Å; Q1103-T1106 PolarHBondContact O-N 3.11Å; Q1103-T1106 PolarHBondContact O-OG1 3.29Å; Q1103-T1106 VanDerWaalsContact O-OG1 3.1Å; Q1103-T1107 HydrophobicContact CG-CG2 4.45Å; Q1103-T1107 WeakPolarHBondContact O-CB 3.03Å; Q1103-T1107 WeakPolarHBondContact O-CG2 3.32Å; Q1103-T1107 PolarHBondContact O-N 3.28Å; Q1103-T1107 VanDerWaalsContact O-N 3.16Å; Q1103-T1107 PolarHBondContact O-OG1 3.11Å |
| 1104 | Q | 62 | Low | 59.5 | Low | 101 Ų | 101 | 54.3 Ų | 54.3 | 47% | 0.472 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 169.1 | -74.1 | 176.4 | -11.9 | 0 | 0 | 110.7 | S1100 T1101 L1102 T1106 T1107 L1108 | S1100-Q1104 WeakPolarHBondContact O-CB 3.14Å; S1100-Q1104 WeakPolarHBondContact O-CG 3.32Å; S1100-Q1104 PolarHBondContact O-N 3.03Å; S1100-Q1104 VanDerWaalsContact O-N 3.08Å; T1101-Q1104 WeakPolarHBondContact O-CB 3.32Å; T1101-Q1104 PolarHBondContact O-N 3.06Å; L1102-Q1104 VanDerWaalsContact C-N 3.31Å; L1102-Q1104 PolarHBondContact O-N 2.76Å; Q1104-T1106 VanDerWaalsContact C-N 3.34Å; Q1104-T1106 PolarHBondContact O-N 3.46Å; Q1104-T1107 WeakPolarHBondContact CA-OG1 3.35Å; Q1104-T1107 PolarHBondContact O-N 3.17Å; Q1104-T1107 VanDerWaalsContact O-N 3.14Å; Q1104-T1107 PolarHBondContact O-OG1 3.04Å; Q1104-T1107 VanDerWaalsContact O-OG1 3.07Å; Q1104-L1108 HydrophobicContact CB-CD1 4.15Å; Q1104-L1108 VanDerWaalsContact O-CB 3.24Å; Q1104-L1108 WeakPolarHBondContact O-CB 3.33Å; Q1104-L1108 WeakPolarHBondContact O-CD1 3.39Å; Q1104-L1108 VanDerWaalsContact O-CG 3.26Å; Q1104-L1108 WeakPolarHBondContact O-CG 3.32Å; Q1104-L1108 PolarHBondContact O-N 3.24Å; Q1104-L1108 VanDerWaalsContact O-N 3.15Å |
| 1105 | L | 62.1 | Low | 61.3 | Low | 9.4 Ų | 9.4 | 52.1 Ų | 52.1 | 5% | 0.049 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.7 | -31.6 | 177.8 | -70.9 | 165.7 | 0 | 0 | 0 | 113.9 | T1101 L1102 Q1103 T1107 L1108 L1111 N1115 L1118 V1119 I1123 L1142 M1149 L1164 R1169 I1172 | T1101-L1105 HydrophobicContact CG2-CD1 4.23Å; T1101-L1105 WeakPolarHBondContact O-CD1 3.46Å; T1101-L1105 WeakPolarHBondContact O-CG 3.39Å; T1101-L1105 PolarHBondContact O-N 3.24Å; T1101-L1105 VanDerWaalsContact O-N 3.12Å; L1102-L1105 HydrophobicContact CD2-CD1 4.18Å; L1102-L1105 CarbonylContact O-C 3.55Å; L1102-L1105 WeakPolarHBondContact O-CA 3.4Å; L1102-L1105 WeakPolarHBondContact O-CB 3.35Å; L1102-L1105 PolarHBondContact O-N 2.98Å; L1102-L1105 VanDerWaalsContact O-N 3.14Å; Q1103-L1105 VanDerWaalsContact C-N 3.31Å; Q1103-L1105 PolarHBondContact O-N 3.35Å; L1105-T1107 VanDerWaalsContact C-N 3.28Å; L1105-T1107 PolarHBondContact O-N 3.12Å; L1105-L1108 HydrophobicContact CD2-CD1 3.69Å; L1105-L1108 PolarHBondContact O-N 2.82Å; L1105-L1111 HydrophobicContact CD2-CD1 3.89Å; L1105-L1111 HydrophobicContact CD2-CD2 4.3Å; L1105-N1115 HydrophobicContact CD2-CB 4.02Å; L1105-L1118 HydrophobicContact CD1-CB 4.36Å; L1105-V1119 HydrophobicContact CB-CG2 4.14Å; L1105-V1119 HydrophobicContact CD1-CB 4.35Å; L1105-V1119 HydrophobicContact CD1-CG1 3.88Å; L1105-V1119 HydrophobicContact CD1-CG2 3.54Å; L1105-V1119 VanDerWaalsContact CD1-CG2 3.49Å; L1105-V1119 HydrophobicContact CD2-CB 4.4Å; L1105-V1119 HydrophobicContact CD2-CG1 3.98Å; L1105-V1119 HydrophobicContact CD2-CG2 3.89Å; L1105-V1119 HydrophobicContact CG-CG1 4.15Å; L1105-V1119 HydrophobicContact CG-CG2 4.18Å; L1105-I1123 HydrophobicContact CD1-CD1 3.77Å; L1105-I1123 HydrophobicContact CD1-CG1 4.11Å; L1105-I1123 HydrophobicContact CD2-CD1 4.44Å; L1105-L1142 HydrophobicContact CD1-CD2 4.25Å; L1105-M1149 HydrophobicContact CD2-CE 3.99Å; L1105-L1164 HydrophobicContact CD2-CD1 3.75Å; L1105-R1169 WeakPolarHBondContact O-CG 3.36Å; L1105-I1172 HydrophobicContact CB-CD1 3.91Å; L1105-I1172 HydrophobicContact CB-CG2 4.36Å; L1105-I1172 HydrophobicContact CD1-CG2 4.02Å; L1105-I1172 HydrophobicContact CD2-CD1 4.43Å |
| 1106 | T | 62.2 | Low | 63 | Low | 14.8 Ų | 14.8 | 49.3 Ų | 49.3 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73 | -21.5 | 175.2 | 55 | 0 | 0 | 0 | 0 | 113.2 | I795 L1102 Q1103 Q1104 L1108 R1169 I1172 Y1173 L1176 P1190 | I795-T1106 HydrophobicContact CD1-CG2 4.19Å; I795-T1106 WeakPolarHBondContact CD1-OG1 3.39Å; L1102-T1106 WeakPolarHBondContact O-CB 3.41Å; L1102-T1106 WeakPolarHBondContact O-CG2 3.23Å; L1102-T1106 PolarHBondContact O-N 2.95Å; L1102-T1106 VanDerWaalsContact O-N 3.1Å; L1102-T1106 PolarHBondContact O-OG1 3.06Å; Q1103-T1106 WeakPolarHBondContact CA-OG1 3.36Å; Q1103-T1106 PolarHBondContact O-N 3.11Å; Q1103-T1106 PolarHBondContact O-OG1 3.29Å; Q1103-T1106 VanDerWaalsContact O-OG1 3.1Å; Q1104-T1106 VanDerWaalsContact C-N 3.34Å; Q1104-T1106 PolarHBondContact O-N 3.46Å; T1106-L1108 VanDerWaalsContact C-N 3.35Å; T1106-R1169 WeakPolarHBondContact O-CD 3.3Å; T1106-R1169 PolarHBondContact O-NH1 3.17Å; T1106-I1172 HydrophobicContact CG2-CB 4.12Å; T1106-I1172 HydrophobicContact CG2-CG2 3.68Å; T1106-I1172 VanDerWaalsContact CG2-CG2 3.49Å; T1106-Y1173 HydrophobicContact CG2-CD2 4.16Å; T1106-L1176 HydrophobicContact CG2-CD1 4.17Å; T1106-P1190 WeakPolarHBondContact O-CB 3.28Å |
| 1107 | T | 61.3 | Low | 64.7 | Low | 90 Ų | 90 | 49.8 Ų | 49.8 | 55% | 0.552 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -87 | -35.1 | 176.9 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | Q1103 Q1104 L1105 S1109 R1169 | Q1103-T1107 HydrophobicContact CG-CG2 4.45Å; Q1103-T1107 WeakPolarHBondContact O-CB 3.03Å; Q1103-T1107 WeakPolarHBondContact O-CG2 3.32Å; Q1103-T1107 PolarHBondContact O-N 3.28Å; Q1103-T1107 VanDerWaalsContact O-N 3.16Å; Q1103-T1107 PolarHBondContact O-OG1 3.11Å; Q1104-T1107 WeakPolarHBondContact CA-OG1 3.35Å; Q1104-T1107 PolarHBondContact O-N 3.17Å; Q1104-T1107 VanDerWaalsContact O-N 3.14Å; Q1104-T1107 PolarHBondContact O-OG1 3.04Å; Q1104-T1107 VanDerWaalsContact O-OG1 3.07Å; L1105-T1107 VanDerWaalsContact C-N 3.28Å; L1105-T1107 PolarHBondContact O-N 3.12Å; T1107-S1109 PolarHBondContact O-N 3.02Å; T1107-R1169 PolarHBondContact O-NH1 2.95Å |
| 1108 | L | 63.5 | Low | 66 | Low | 58.8 Ų | 58.8 | 53.8 Ų | 53.8 | 31% | 0.308 | 29% | 0.288 | S | S | . | . | trans | -73.6 | 121.4 | -179 | -64.1 | 175.7 | 0 | 0 | 0 | 111.9 | Q1104 L1105 T1106 C1110 L1111 N1115 L1164 R1169 | Q1104-L1108 HydrophobicContact CB-CD1 4.15Å; Q1104-L1108 VanDerWaalsContact O-CB 3.24Å; Q1104-L1108 WeakPolarHBondContact O-CB 3.33Å; Q1104-L1108 WeakPolarHBondContact O-CD1 3.39Å; Q1104-L1108 VanDerWaalsContact O-CG 3.26Å; Q1104-L1108 WeakPolarHBondContact O-CG 3.32Å; Q1104-L1108 PolarHBondContact O-N 3.24Å; Q1104-L1108 VanDerWaalsContact O-N 3.15Å; L1105-L1108 HydrophobicContact CD2-CD1 3.69Å; L1105-L1108 PolarHBondContact O-N 2.82Å; T1106-L1108 VanDerWaalsContact C-N 3.35Å; L1108-C1110 VanDerWaalsContact C-N 3.31Å; L1108-C1110 WeakPolarHBondContact CB-O 3.39Å; L1108-C1110 PolarHBondContact O-N 3.14Å; L1108-L1111 HydrophobicContact CB-CD2 4.15Å; L1108-L1111 HydrophobicContact CD1-CD2 4Å; L1108-N1115 WeakPolarHBondContact CD1-ND2 3.49Å; L1108-L1164 WeakPolarHBondContact O-CD1 3.17Å; L1108-R1169 WeakPolarHBondContact O-CD 3.39Å | ||
| 1109 | S | 61.7 | Low | 67.1 | Low | 45.8 Ų | 45.8 | 51.2 Ų | 51.2 | 32% | 0.32 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -74.9 | -15.9 | 172.3 | 50.4 | 0 | 0 | 0 | 0 | 114.1 | T1107 L1164 S1263 Q1266 | T1107-S1109 PolarHBondContact O-N 3.02Å; S1109-L1164 PolarHBondContact O-N 3.1Å; S1109-L1164 VanDerWaalsContact O-N 3.07Å; S1109-S1263 WeakPolarHBondContact CB-O 3.41Å; S1109-S1263 PolarHBondContact OG-O 2.76Å; S1109-Q1266 PolarHBondContact O-NE2 2.86Å; S1109-Q1266 WeakPolarHBondContact OG-CG 3.35Å; S1109-Q1266 PolarHBondContact OG-NE2 3.49Å; S1109-Q1266 PolarHBondContact OG-O 3.14Å |
| 1110 | C | 67.3 | Low | 68.3 | Low | 28.2 Ų | 28.2 | 50 Ų | 50 | 19% | 0.191 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 150.5 | 176.7 | 75.8 | 0 | 0 | 0 | 0 | 111.1 | L1108 M1161 L1162 L1163 Q1266 | L1108-C1110 VanDerWaalsContact C-N 3.31Å; L1108-C1110 WeakPolarHBondContact CB-O 3.39Å; L1108-C1110 PolarHBondContact O-N 3.14Å; C1110-M1161 HydrophobicContact CB-CB 4.48Å; C1110-M1161 HydrophobicContact CB-CE 3.81Å; C1110-M1161 HydrophobicContact CB-SD 4.21Å; C1110-M1161 VanDerWaalsContact SG-CE 3.55Å; C1110-L1162 CarbonylContact C-O 3.45Å; C1110-L1162 VanDerWaalsContact CA-O 3.27Å; C1110-L1162 WeakPolarHBondContact CA-O 3.35Å; C1110-L1162 WeakPolarHBondContact CB-O 3.34Å; C1110-L1162 VanDerWaalsContact SG-C 3.57Å; C1110-L1162 PolarHBondContact SG-O 2.85Å; C1110-L1163 HydrophobicContact CB-CD1 4.19Å; C1110-L1163 HydrophobicContact CB-CD2 4.02Å; C1110-L1163 HydrophobicContact CB-CG 4.24Å; C1110-Q1266 VanDerWaalsContact C-CD 3.48Å; C1110-Q1266 HydrophobicContact CB-CB 4.06Å; C1110-Q1266 HydrophobicContact CB-CG 3.64Å; C1110-Q1266 WeakPolarHBondContact CB-O 3.47Å; C1110-Q1266 VanDerWaalsContact N-NE2 3.12Å; C1110-Q1266 PolarHBondContact N-O 3.46Å; C1110-Q1266 VanDerWaalsContact O-CD 3.24Å; C1110-Q1266 PolarHBondContact O-NE2 2.98Å; C1110-Q1266 PolarHBondContact O-OE1 3.45Å; C1110-Q1266 PolarHBondContact SG-O 3.43Å; C1110-Q1266 PolarHBondContact SG-OE1 3.07Å |
| 1111 | L | 73.3 | Confident | 69.3 | Low | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 124.6 | 172.6 | -56.2 | 159.8 | 0 | 0 | 0 | 109.6 | L1105 L1108 N1115 I1116 V1119 M1149 M1161 L1162 L1164 | L1105-L1111 HydrophobicContact CD2-CD1 3.89Å; L1105-L1111 HydrophobicContact CD2-CD2 4.3Å; L1108-L1111 HydrophobicContact CB-CD2 4.15Å; L1108-L1111 HydrophobicContact CD1-CD2 4Å; L1111-N1115 HydrophobicContact CB-CB 4.13Å; L1111-N1115 HydrophobicContact CD2-CB 3.99Å; L1111-N1115 HydrophobicContact CG-CB 4.27Å; L1111-I1116 HydrophobicContact CB-CD1 4.23Å; L1111-I1116 HydrophobicContact CB-CG1 3.62Å; L1111-I1116 VanDerWaalsContact CB-CG1 3.49Å; L1111-I1116 HydrophobicContact CD1-CG1 4.28Å; L1111-I1116 HydrophobicContact CD2-CG1 4.43Å; L1111-I1116 HydrophobicContact CG-CG1 4.5Å; L1111-V1119 HydrophobicContact CD2-CB 3.91Å; L1111-V1119 HydrophobicContact CD2-CG1 4.21Å; L1111-V1119 HydrophobicContact CD2-CG2 3.8Å; L1111-M1149 HydrophobicContact CD1-CE 3.72Å; L1111-M1149 HydrophobicContact CD2-CE 3.7Å; L1111-M1149 HydrophobicContact CG-CE 4.36Å; L1111-M1161 CarbonylContact O-C 3.56Å; L1111-M1161 WeakPolarHBondContact O-CA 3.33Å; L1111-L1162 HydrophobicContact CB-CB 4.46Å; L1111-L1162 HydrophobicContact CD1-CD2 3.99Å; L1111-L1162 PolarHBondContact N-O 3.16Å; L1111-L1162 PolarHBondContact O-N 3.08Å; L1111-L1164 HydrophobicContact CD1-CD1 3.76Å; L1111-L1164 HydrophobicContact CD1-CG 4.22Å; L1111-L1164 HydrophobicContact CG-CD1 4.13Å |
| 1112 | N | 75.5 | Confident | 69.9 | Low | 50.6 Ų | 50.6 | 53.1 Ų | 53.1 | 27% | 0.271 | 28% | 0.28 | S | S | . | . | trans | -77.2 | 172.8 | 166.8 | 67.6 | 0.3 | 0 | 0 | 0 | 110.5 | E1114 N1115 I1116 M1161 | N1112-E1114 PolarHBondContact O-N 3.12Å; N1112-E1114 VanDerWaalsContact O-N 3.14Å; N1112-E1114 PolarHBondContact OD1-N 3.21Å; N1112-N1115 PolarHBondContact O-N 3.23Å; N1112-N1115 VanDerWaalsContact O-N 3.15Å; N1112-N1115 VanDerWaalsContact OD1-CB 3.28Å; N1112-N1115 WeakPolarHBondContact OD1-CB 3.4Å; N1112-N1115 PolarHBondContact OD1-N 3.12Å; N1112-N1115 PolarHBondContact OD1-ND2 3.2Å; N1112-N1115 PolarHBondContact OD1-OD1 3.18Å; N1112-I1116 VanDerWaalsContact O-CG1 3.26Å; N1112-I1116 WeakPolarHBondContact O-CG1 3.35Å; N1112-I1116 PolarHBondContact O-N 3.03Å; N1112-I1116 VanDerWaalsContact O-N 3.08Å; N1112-M1161 HydrophobicContact CB-CE 4.32Å; N1112-M1161 HydrophobicContact CB-CG 3.97Å; N1112-M1161 HydrophobicContact CB-SD 4.03Å | ||
| 1113 | A | 73.9 | Confident | 70.8 | Confident | 23.8 Ų | 23.8 | 52.6 Ų | 52.6 | 20% | 0.197 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.8 | -33.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1116 Q1117 | A1113-I1116 PolarHBondContact O-N 2.78Å; A1113-Q1117 VanDerWaalsContact O-CG 3.27Å; A1113-Q1117 WeakPolarHBondContact O-CG 3.37Å; A1113-Q1117 PolarHBondContact O-N 3.14Å |
| 1114 | E | 74.2 | Confident | 71.7 | Confident | 135.2 Ų | 135.2 | 51.6 Ų | 51.6 | 63% | 0.632 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -70.4 | -48.3 | 179.1 | -171.4 | 172.2 | -148.9 | 0 | 0 | 112.1 | N1112 I1116 Q1117 L1118 | N1112-E1114 PolarHBondContact O-N 3.12Å; N1112-E1114 VanDerWaalsContact O-N 3.14Å; N1112-E1114 PolarHBondContact OD1-N 3.21Å; E1114-I1116 VanDerWaalsContact C-N 3.3Å; E1114-I1116 PolarHBondContact O-N 3.26Å; E1114-Q1117 PolarHBondContact O-N 3.2Å; E1114-Q1117 VanDerWaalsContact O-N 3.1Å; E1114-L1118 PolarHBondContact O-N 3.33Å; E1114-L1118 VanDerWaalsContact O-N 3.1Å |
| 1115 | N | 75.1 | Confident | 72.1 | Confident | 43 Ų | 43 | 50.6 Ų | 50.6 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60 | -38 | 173 | -69 | -11 | 0 | 0 | 0 | 111.4 | L1105 L1108 L1111 N1112 L1118 V1119 | L1105-N1115 HydrophobicContact CD2-CB 4.02Å; L1108-N1115 WeakPolarHBondContact CD1-ND2 3.49Å; L1111-N1115 HydrophobicContact CB-CB 4.13Å; L1111-N1115 HydrophobicContact CD2-CB 3.99Å; L1111-N1115 HydrophobicContact CG-CB 4.27Å; N1112-N1115 PolarHBondContact O-N 3.23Å; N1112-N1115 VanDerWaalsContact O-N 3.15Å; N1112-N1115 VanDerWaalsContact OD1-CB 3.28Å; N1112-N1115 WeakPolarHBondContact OD1-CB 3.4Å; N1112-N1115 PolarHBondContact OD1-N 3.12Å; N1112-N1115 PolarHBondContact OD1-ND2 3.2Å; N1112-N1115 PolarHBondContact OD1-OD1 3.18Å; N1115-L1118 PolarHBondContact O-N 3.14Å; N1115-V1119 VanDerWaalsContact O-CB 3.31Å; N1115-V1119 WeakPolarHBondContact O-CB 3.41Å; N1115-V1119 VanDerWaalsContact O-CG2 3.27Å; N1115-V1119 WeakPolarHBondContact O-CG2 3.33Å; N1115-V1119 PolarHBondContact O-N 3.12Å; N1115-V1119 VanDerWaalsContact O-N 3.1Å |
| 1116 | I | 78.1 | Confident | 72.6 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.5 | -41 | 175.9 | -64.7 | 169.2 | 0 | 0 | 0 | 111 | L1111 N1112 A1113 E1114 L1118 V1119 M1120 M1149 V1152 V1153 L1162 | L1111-I1116 HydrophobicContact CB-CD1 4.23Å; L1111-I1116 HydrophobicContact CB-CG1 3.62Å; L1111-I1116 VanDerWaalsContact CB-CG1 3.49Å; L1111-I1116 HydrophobicContact CD1-CG1 4.28Å; L1111-I1116 HydrophobicContact CD2-CG1 4.43Å; L1111-I1116 HydrophobicContact CG-CG1 4.5Å; N1112-I1116 VanDerWaalsContact O-CG1 3.26Å; N1112-I1116 WeakPolarHBondContact O-CG1 3.35Å; N1112-I1116 PolarHBondContact O-N 3.03Å; N1112-I1116 VanDerWaalsContact O-N 3.08Å; A1113-I1116 PolarHBondContact O-N 2.78Å; E1114-I1116 VanDerWaalsContact C-N 3.3Å; E1114-I1116 PolarHBondContact O-N 3.26Å; I1116-L1118 VanDerWaalsContact C-N 3.31Å; I1116-L1118 PolarHBondContact O-N 3.16Å; I1116-V1119 PolarHBondContact O-N 3.21Å; I1116-V1119 VanDerWaalsContact O-N 3.16Å; I1116-M1120 HydrophobicContact CG2-CB 4.14Å; I1116-M1120 HydrophobicContact CG2-CE 4.18Å; I1116-M1120 HydrophobicContact CG2-CG 3.84Å; I1116-M1120 HydrophobicContact CG2-SD 4.35Å; I1116-M1120 VanDerWaalsContact O-CB 3.26Å; I1116-M1120 WeakPolarHBondContact O-CB 3.31Å; I1116-M1120 VanDerWaalsContact O-CG 3.32Å; I1116-M1120 WeakPolarHBondContact O-CG 3.16Å; I1116-M1120 PolarHBondContact O-N 3.31Å; I1116-M1149 HydrophobicContact CB-CE 4.3Å; I1116-M1149 HydrophobicContact CD1-CG 4.46Å; I1116-M1149 HydrophobicContact CG1-CE 4.1Å; I1116-M1149 HydrophobicContact CG1-CG 4.35Å; I1116-M1149 HydrophobicContact CG2-CB 3.68Å; I1116-M1149 HydrophobicContact CG2-CE 3.94Å; I1116-M1149 HydrophobicContact CG2-CG 3.97Å; I1116-M1149 HydrophobicContact CG2-SD 4.26Å; I1116-V1152 HydrophobicContact CD1-CB 3.79Å; I1116-V1152 HydrophobicContact CD1-CG1 3.53Å; I1116-V1152 VanDerWaalsContact CD1-CG1 3.47Å; I1116-V1152 HydrophobicContact CD1-CG2 4.34Å; I1116-V1153 HydrophobicContact CB-CG2 4.15Å; I1116-V1153 HydrophobicContact CG2-CG2 3.49Å; I1116-V1153 VanDerWaalsContact CG2-CG2 3.46Å; I1116-L1162 HydrophobicContact CD1-CB 3.87Å; I1116-L1162 HydrophobicContact CD1-CD2 4.38Å |
| 1117 | Q | 77.2 | Confident | 73.2 | Confident | 128.2 Ų | 128.2 | 51.1 Ų | 51.1 | 60% | 0.599 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -62.8 | -34.3 | 176.2 | -77.7 | 179.8 | 13.4 | 0 | 0 | 112.8 | A1113 E1114 V1119 P1121 V1153 | A1113-Q1117 VanDerWaalsContact O-CG 3.27Å; A1113-Q1117 WeakPolarHBondContact O-CG 3.37Å; A1113-Q1117 PolarHBondContact O-N 3.14Å; E1114-Q1117 PolarHBondContact O-N 3.2Å; E1114-Q1117 VanDerWaalsContact O-N 3.1Å; Q1117-V1119 VanDerWaalsContact C-N 3.34Å; Q1117-P1121 VanDerWaalsContact O-CD 3.28Å; Q1117-P1121 WeakPolarHBondContact O-CD 3.24Å; Q1117-P1121 WeakPolarHBondContact O-CG 3.42Å; Q1117-V1153 HydrophobicContact CG-CG1 4.22Å; Q1117-V1153 HydrophobicContact CG-CG2 4.31Å |
| 1118 | L | 74.9 | Confident | 73.8 | Confident | 116 Ų | 116 | 53.3 Ų | 53.3 | 61% | 0.607 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -69.2 | -39.3 | 173.8 | -76.3 | 165.7 | 0 | 0 | 0 | 113 | L1105 E1114 N1115 I1116 | L1105-L1118 HydrophobicContact CD1-CB 4.36Å; E1114-L1118 PolarHBondContact O-N 3.33Å; E1114-L1118 VanDerWaalsContact O-N 3.1Å; N1115-L1118 PolarHBondContact O-N 3.14Å; I1116-L1118 VanDerWaalsContact C-N 3.31Å; I1116-L1118 PolarHBondContact O-N 3.16Å |
| 1119 | V | 74.3 | Confident | 73.9 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.03 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -88.2 | -35 | -173.1 | 172.6 | 0 | 0 | 0 | 0 | 113.1 | T1101 L1102 L1105 L1111 N1115 I1116 Q1117 P1121 R1122 I1123 M1149 | T1101-V1119 HydrophobicContact CG2-CB 4.25Å; T1101-V1119 HydrophobicContact CG2-CG1 3.92Å; T1101-V1119 HydrophobicContact CG2-CG2 4Å; L1102-V1119 HydrophobicContact CD2-CB 4.39Å; L1102-V1119 HydrophobicContact CD2-CG1 3.94Å; L1102-V1119 HydrophobicContact CD2-CG2 4.01Å; L1105-V1119 HydrophobicContact CB-CG2 4.14Å; L1105-V1119 HydrophobicContact CD1-CB 4.35Å; L1105-V1119 HydrophobicContact CD1-CG1 3.88Å; L1105-V1119 HydrophobicContact CD1-CG2 3.54Å; L1105-V1119 VanDerWaalsContact CD1-CG2 3.49Å; L1105-V1119 HydrophobicContact CD2-CB 4.4Å; L1105-V1119 HydrophobicContact CD2-CG1 3.98Å; L1105-V1119 HydrophobicContact CD2-CG2 3.89Å; L1105-V1119 HydrophobicContact CG-CG1 4.15Å; L1105-V1119 HydrophobicContact CG-CG2 4.18Å; L1111-V1119 HydrophobicContact CD2-CB 3.91Å; L1111-V1119 HydrophobicContact CD2-CG1 4.21Å; L1111-V1119 HydrophobicContact CD2-CG2 3.8Å; N1115-V1119 VanDerWaalsContact O-CB 3.31Å; N1115-V1119 WeakPolarHBondContact O-CB 3.41Å; N1115-V1119 VanDerWaalsContact O-CG2 3.27Å; N1115-V1119 WeakPolarHBondContact O-CG2 3.33Å; N1115-V1119 PolarHBondContact O-N 3.12Å; N1115-V1119 VanDerWaalsContact O-N 3.1Å; I1116-V1119 PolarHBondContact O-N 3.21Å; I1116-V1119 VanDerWaalsContact O-N 3.16Å; Q1117-V1119 VanDerWaalsContact C-N 3.34Å; V1119-P1121 VanDerWaalsContact C-CD 3.45Å; V1119-P1121 VanDerWaalsContact C-N 3.31Å; V1119-P1121 VanDerWaalsContact O-N 3.17Å; V1119-R1122 WeakPolarHBondContact O-CB 3.38Å; V1119-R1122 PolarHBondContact O-N 3.23Å; V1119-R1122 VanDerWaalsContact O-N 3.16Å; V1119-I1123 HydrophobicContact CG1-CD1 3.61Å; V1119-I1123 VanDerWaalsContact CG1-CD1 3.49Å; V1119-I1123 HydrophobicContact CG1-CG1 3.88Å; V1119-I1123 PolarHBondContact O-N 3.32Å; V1119-I1123 VanDerWaalsContact O-N 3.13Å; V1119-M1149 HydrophobicContact CB-CE 4.13Å; V1119-M1149 HydrophobicContact CG1-CE 3.98Å |
| 1120 | M | 80.8 | Confident | 73.8 | Confident | 27.6 Ų | 27.6 | 55 Ų | 55 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55 | -39.2 | -173.9 | -145.1 | -154.8 | 73.2 | 0 | 0 | 114.5 | I1116 R1122 I1123 N1124 H1146 M1149 Q1150 V1153 | I1116-M1120 HydrophobicContact CG2-CB 4.14Å; I1116-M1120 HydrophobicContact CG2-CE 4.18Å; I1116-M1120 HydrophobicContact CG2-CG 3.84Å; I1116-M1120 HydrophobicContact CG2-SD 4.35Å; I1116-M1120 VanDerWaalsContact O-CB 3.26Å; I1116-M1120 WeakPolarHBondContact O-CB 3.31Å; I1116-M1120 VanDerWaalsContact O-CG 3.32Å; I1116-M1120 WeakPolarHBondContact O-CG 3.16Å; I1116-M1120 PolarHBondContact O-N 3.31Å; M1120-R1122 VanDerWaalsContact C-N 3.3Å; M1120-R1122 PolarHBondContact O-N 3.21Å; M1120-I1123 PolarHBondContact O-N 3.34Å; M1120-N1124 WeakPolarHBondContact CG-ND2 3.38Å; M1120-N1124 WeakPolarHBondContact O-CB 3.35Å; M1120-N1124 PolarHBondContact O-N 3.06Å; M1120-N1124 PolarHBondContact O-ND2 3.17Å; M1120-N1124 VanDerWaalsContact O-ND2 3.12Å; M1120-N1124 PolarHBondContact SD-ND2 3.25Å; M1120-N1124 VanDerWaalsContact SD-ND2 3.39Å; M1120-H1146 VanDerWaalsContact CE-NE2 3.3Å; M1120-H1146 WeakPolarHBondContact CE-NE2 3.21Å; M1120-H1146 VanDerWaalsContact CE-O 3.31Å; M1120-H1146 WeakPolarHBondContact CE-O 3.36Å; M1120-H1146 PolarHBondContact SD-CD2 2.91Å; M1120-H1146 PolarHBondContact SD-NE2 3.04Å; M1120-H1146 VanDerWaalsContact SD-NE2 3.35Å; M1120-M1149 HydrophobicContact CB-SD 4.01Å; M1120-M1149 HydrophobicContact CE-CB 3.76Å; M1120-M1149 HydrophobicContact CG-CB 4.47Å; M1120-M1149 HydrophobicContact CG-SD 4.3Å; M1120-M1149 HydrophobicContact SD-CB 3.81Å; M1120-Q1150 HydrophobicContact CE-CB 4.1Å; M1120-Q1150 HydrophobicContact CE-CG 4.17Å; M1120-Q1150 HydrophobicContact SD-CG 3.86Å; M1120-V1153 HydrophobicContact CE-CB 4.39Å; M1120-V1153 HydrophobicContact CE-CG1 4.49Å; M1120-V1153 HydrophobicContact CE-CG2 4.12Å |
| 1121 | P | 77.4 | Confident | 73.3 | Confident | 78.4 Ų | 78.4 | 56.4 Ų | 56.4 | 51% | 0.509 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 175.3 | -25.3 | 35.4 | 0 | 0 | 0 | 112.9 | Q1117 V1119 I1123 N1124 E1125 | Q1117-P1121 VanDerWaalsContact O-CD 3.28Å; Q1117-P1121 WeakPolarHBondContact O-CD 3.24Å; Q1117-P1121 WeakPolarHBondContact O-CG 3.42Å; V1119-P1121 VanDerWaalsContact C-CD 3.45Å; V1119-P1121 VanDerWaalsContact C-N 3.31Å; V1119-P1121 VanDerWaalsContact O-N 3.17Å; P1121-I1123 PolarHBondContact O-N 2.78Å; P1121-N1124 VanDerWaalsContact O-CB 3.31Å; P1121-N1124 WeakPolarHBondContact O-CB 3.21Å; P1121-N1124 PolarHBondContact O-N 3.26Å; P1121-E1125 PolarHBondContact O-N 3.15Å; P1121-E1125 VanDerWaalsContact O-N 3.12Å |
| 1122 | R | 71.7 | Confident | 72.7 | Confident | 66 Ų | 66 | 56.4 Ų | 56.4 | 25% | 0.249 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.8 | -33.1 | -179.3 | -99.7 | -4.5 | -179.4 | 166.3 | 7.2 | 112.5 | S1097 H1098 T1101 L1102 V1119 M1120 N1124 E1125 L1126 L1176 E1183 | S1097-R1122 PolarHBondContact O-NH1 3.31Å; S1097-R1122 PolarHBondContact OG-NH1 2.92Å; S1097-R1122 PolarHBondContact OG-NH2 3.09Å; H1098-R1122 PolarHBondContact CD2-NH1 2.82Å; H1098-R1122 VanDerWaalsContact CE1-CZ 3.42Å; H1098-R1122 PolarHBondContact CE1-NH1 2.89Å; H1098-R1122 VanDerWaalsContact NE2-CZ 3.27Å; H1098-R1122 PolarHBondContact NE2-NH1 3.02Å; H1098-R1122 VanDerWaalsContact NE2-NH1 3.16Å; H1098-R1122 PolarHBondContact NE2-NH2 3.35Å; T1101-R1122 HydrophobicContact CG2-CB 4.05Å; T1101-R1122 HydrophobicContact CG2-CG 4Å; T1101-R1122 WeakPolarHBondContact OG1-CD 3.46Å; T1101-R1122 PolarHBondContact OG1-NH1 3.49Å; L1102-R1122 HydrophobicContact CD1-CB 4.08Å; L1102-R1122 HydrophobicContact CD1-CG 3.92Å; V1119-R1122 WeakPolarHBondContact O-CB 3.38Å; V1119-R1122 PolarHBondContact O-N 3.23Å; V1119-R1122 VanDerWaalsContact O-N 3.16Å; M1120-R1122 VanDerWaalsContact C-N 3.3Å; M1120-R1122 PolarHBondContact O-N 3.21Å; R1122-N1124 VanDerWaalsContact C-N 3.33Å; R1122-E1125 WeakPolarHBondContact CD-OE2 3.17Å; R1122-E1125 IonicContact CZ-OE1 3.83Å; R1122-E1125 IonicContact CZ-OE2 3.28Å; R1122-E1125 VanDerWaalsContact CZ-OE2 3.32Å; R1122-E1125 IonicContact NE-OE2 3.19Å; R1122-E1125 IonicContact NH1-OE1 3.16Å; R1122-E1125 PolarHBondContact NH1-OE1 2.92Å; R1122-E1125 IonicContact NH1-OE2 3.6Å; R1122-E1125 PolarHBondContact NH1-OE2 2.93Å; R1122-E1125 IonicContact NH2-OE1 2.77Å; R1122-E1125 WeakPolarHBondContact O-CB 3.49Å; R1122-E1125 PolarHBondContact O-N 2.96Å; R1122-L1126 WeakPolarHBondContact O-CB 3.39Å; R1122-L1126 WeakPolarHBondContact O-CD1 3.38Å; R1122-L1126 VanDerWaalsContact O-CG 3.24Å; R1122-L1126 WeakPolarHBondContact O-CG 3.36Å; R1122-L1126 PolarHBondContact O-N 2.97Å; R1122-L1176 HydrophobicContact CG-CD2 4.08Å; R1122-E1183 IonicContact CZ-OE1 2.75Å; R1122-E1183 IonicContact NH1-OE1 2.98Å; R1122-E1183 PolarHBondContact NH1-OE1 2.93Å; R1122-E1183 IonicContact NH2-OE1 3.66Å; R1122-E1183 PolarHBondContact NH2-OE1 3.21Å; R1122-E1183 IonicContact NH2-OE2 3.62Å; R1122-E1183 PolarHBondContact NH2-OE2 2.94Å |
| 1123 | I | 77.8 | Confident | 72.2 | Confident | 1.2 Ų | 1.2 | 61.1 Ų | 61.1 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.6 | -36.2 | 170.9 | -63.7 | -178.6 | 0 | 0 | 0 | 111.4 | L1105 V1119 M1120 P1121 E1125 L1126 L1127 L1142 I1145 H1146 M1149 | L1105-I1123 HydrophobicContact CD1-CD1 3.77Å; L1105-I1123 HydrophobicContact CD1-CG1 4.11Å; L1105-I1123 HydrophobicContact CD2-CD1 4.44Å; V1119-I1123 HydrophobicContact CG1-CD1 3.61Å; V1119-I1123 VanDerWaalsContact CG1-CD1 3.49Å; V1119-I1123 HydrophobicContact CG1-CG1 3.88Å; V1119-I1123 PolarHBondContact O-N 3.32Å; V1119-I1123 VanDerWaalsContact O-N 3.13Å; M1120-I1123 PolarHBondContact O-N 3.34Å; P1121-I1123 PolarHBondContact O-N 2.78Å; I1123-E1125 VanDerWaalsContact C-N 3.3Å; I1123-E1125 PolarHBondContact O-N 3.1Å; I1123-L1126 HydrophobicContact CB-CD1 4.39Å; I1123-L1126 HydrophobicContact CG1-CD1 4.09Å; I1123-L1126 WeakPolarHBondContact O-CB 3.41Å; I1123-L1126 PolarHBondContact O-N 2.97Å; I1123-L1127 HydrophobicContact CG2-CD1 4.08Å; I1123-L1127 HydrophobicContact CG2-CG 4.05Å; I1123-L1127 WeakPolarHBondContact O-CB 3.23Å; I1123-L1127 WeakPolarHBondContact O-CG 3.44Å; I1123-L1127 PolarHBondContact O-N 3.1Å; I1123-L1127 VanDerWaalsContact O-N 3.08Å; I1123-L1142 HydrophobicContact CD1-CD1 4.42Å; I1123-L1142 HydrophobicContact CG2-CD1 4.08Å; I1123-L1142 HydrophobicContact CG2-CD2 4.41Å; I1123-L1142 HydrophobicContact CG2-CG 4.16Å; I1123-I1145 HydrophobicContact CD1-CG2 4.46Å; I1123-H1146 HydrophobicContact CG2-CB 3.92Å; I1123-M1149 HydrophobicContact CD1-CE 3.75Å; I1123-M1149 VanDerWaalsContact CD1-CE 3.42Å; I1123-M1149 HydrophobicContact CD1-SD 3.64Å; I1123-M1149 VanDerWaalsContact CD1-SD 3.51Å |
| 1124 | N | 80.8 | Confident | 71.6 | Confident | 58.8 Ų | 58.8 | 64.6 Ų | 64.6 | 31% | 0.314 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 172.9 | -90.5 | -65.3 | 0 | 0 | 0 | 112.3 | M1120 P1121 R1122 L1127 Q1128 H1146 | M1120-N1124 WeakPolarHBondContact CG-ND2 3.38Å; M1120-N1124 WeakPolarHBondContact O-CB 3.35Å; M1120-N1124 PolarHBondContact O-N 3.06Å; M1120-N1124 PolarHBondContact O-ND2 3.17Å; M1120-N1124 VanDerWaalsContact O-ND2 3.12Å; M1120-N1124 PolarHBondContact SD-ND2 3.25Å; M1120-N1124 VanDerWaalsContact SD-ND2 3.39Å; P1121-N1124 VanDerWaalsContact O-CB 3.31Å; P1121-N1124 WeakPolarHBondContact O-CB 3.21Å; P1121-N1124 PolarHBondContact O-N 3.26Å; R1122-N1124 VanDerWaalsContact C-N 3.33Å; N1124-L1127 PolarHBondContact O-N 3.18Å; N1124-Q1128 WeakPolarHBondContact O-CB 3.41Å; N1124-Q1128 VanDerWaalsContact O-CG 3.3Å; N1124-Q1128 WeakPolarHBondContact O-CG 3.25Å; N1124-Q1128 PolarHBondContact O-N 2.95Å; N1124-Q1128 VanDerWaalsContact O-N 3.12Å; N1124-Q1128 PolarHBondContact O-NE2 3.11Å; N1124-Q1128 VanDerWaalsContact O-NE2 3.09Å; N1124-H1146 VanDerWaalsContact CG-NE2 3.3Å; N1124-H1146 PolarHBondContact ND2-NE2 3Å; N1124-H1146 VanDerWaalsContact ND2-NE2 3.16Å; N1124-H1146 PolarHBondContact OD1-CE1 3.1Å; N1124-H1146 PolarHBondContact OD1-NE2 3.28Å; N1124-H1146 VanDerWaalsContact OD1-NE2 3.1Å |
| 1125 | E | 71.9 | Confident | 71.4 | Confident | 79.8 Ų | 79.8 | 60.5 Ų | 60.5 | 37% | 0.373 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.4 | -44.8 | 174.3 | -131.7 | 176.5 | 165.7 | 0 | 0 | 111.6 | H1098 P1121 R1122 I1123 L1127 Q1128 T1129 | H1098-E1125 IonicContact CE1-OE2 3.29Å; H1098-E1125 PolarHBondContact CE1-OE2 3.19Å; H1098-E1125 VanDerWaalsContact CE1-OE2 3.29Å; H1098-E1125 IonicContact NE2-OE2 3.32Å; P1121-E1125 PolarHBondContact O-N 3.15Å; P1121-E1125 VanDerWaalsContact O-N 3.12Å; R1122-E1125 WeakPolarHBondContact CD-OE2 3.17Å; R1122-E1125 IonicContact CZ-OE1 3.83Å; R1122-E1125 IonicContact CZ-OE2 3.28Å; R1122-E1125 VanDerWaalsContact CZ-OE2 3.32Å; R1122-E1125 IonicContact NE-OE2 3.19Å; R1122-E1125 IonicContact NH1-OE1 3.16Å; R1122-E1125 PolarHBondContact NH1-OE1 2.92Å; R1122-E1125 IonicContact NH1-OE2 3.6Å; R1122-E1125 PolarHBondContact NH1-OE2 2.93Å; R1122-E1125 IonicContact NH2-OE1 2.77Å; R1122-E1125 WeakPolarHBondContact O-CB 3.49Å; R1122-E1125 PolarHBondContact O-N 2.96Å; I1123-E1125 VanDerWaalsContact C-N 3.3Å; I1123-E1125 PolarHBondContact O-N 3.1Å; E1125-L1127 VanDerWaalsContact C-N 3.31Å; E1125-L1127 PolarHBondContact O-N 3.17Å; E1125-Q1128 WeakPolarHBondContact O-CA 3.33Å; E1125-Q1128 WeakPolarHBondContact O-CB 3.44Å; E1125-Q1128 PolarHBondContact O-N 3.16Å; E1125-T1129 PolarHBondContact O-N 3.1Å; E1125-T1129 VanDerWaalsContact O-N 3.11Å; E1125-T1129 PolarHBondContact O-OG1 3.03Å |
| 1126 | L | 70.7 | Confident | 71.3 | Confident | 6.4 Ų | 6.4 | 64.3 Ų | 64.3 | 3% | 0.034 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -54 | -47.5 | 172.4 | -81.1 | 158.5 | 0 | 0 | 0 | 112.2 | H1098 L1102 R1122 I1123 Q1128 T1129 L1132 L1142 G1175 L1176 I1179 | H1098-L1126 HydrophobicContact CB-CD1 4.24Å; H1098-L1126 HydrophobicContact CB-CD2 4.1Å; H1098-L1126 HydrophobicContact CB-CG 4.21Å; L1102-L1126 HydrophobicContact CD1-CD1 3.67Å; L1102-L1126 HydrophobicContact CD1-CD2 4.09Å; L1102-L1126 HydrophobicContact CD1-CG 4.46Å; L1102-L1126 HydrophobicContact CD2-CD1 4Å; L1102-L1126 HydrophobicContact CG-CD1 3.74Å; R1122-L1126 WeakPolarHBondContact O-CB 3.39Å; R1122-L1126 WeakPolarHBondContact O-CD1 3.38Å; R1122-L1126 VanDerWaalsContact O-CG 3.24Å; R1122-L1126 WeakPolarHBondContact O-CG 3.36Å; R1122-L1126 PolarHBondContact O-N 2.97Å; I1123-L1126 HydrophobicContact CB-CD1 4.39Å; I1123-L1126 HydrophobicContact CG1-CD1 4.09Å; I1123-L1126 WeakPolarHBondContact O-CB 3.41Å; I1123-L1126 PolarHBondContact O-N 2.97Å; L1126-Q1128 PolarHBondContact O-N 3.21Å; L1126-T1129 PolarHBondContact O-N 2.99Å; L1126-T1129 VanDerWaalsContact O-N 3.13Å; L1126-T1129 PolarHBondContact O-OG1 3Å; L1126-L1132 HydrophobicContact CB-CD1 3.9Å; L1126-L1132 HydrophobicContact CD2-CD1 3.77Å; L1126-L1132 HydrophobicContact CD2-CG 4.4Å; L1126-L1132 HydrophobicContact CG-CD1 4.4Å; L1126-L1132 VanDerWaalsContact O-CD1 3.24Å; L1126-L1132 WeakPolarHBondContact O-CD1 3.34Å; L1126-L1142 HydrophobicContact CB-CD1 4.38Å; L1126-L1142 HydrophobicContact CB-CD2 3.59Å; L1126-L1142 HydrophobicContact CD1-CD2 4.14Å; L1126-L1142 HydrophobicContact CD2-CD1 4.19Å; L1126-L1142 HydrophobicContact CG-CD2 4.32Å; L1126-G1175 VanDerWaalsContact CD2-C 3.49Å; L1126-G1175 WeakPolarHBondContact CD2-O 3.44Å; L1126-L1176 HydrophobicContact CD1-CD1 4.29Å; L1126-L1176 HydrophobicContact CD1-CD2 3.89Å; L1126-L1176 HydrophobicContact CD1-CG 4.09Å; L1126-L1176 HydrophobicContact CD2-CD2 3.93Å; L1126-L1176 HydrophobicContact CD2-CG 3.91Å; L1126-L1176 HydrophobicContact CG-CD2 4.01Å; L1126-L1176 HydrophobicContact CG-CG 4.35Å; L1126-I1179 HydrophobicContact CB-CD1 4.31Å; L1126-I1179 HydrophobicContact CD2-CB 4.28Å; L1126-I1179 HydrophobicContact CD2-CD1 3.41Å; L1126-I1179 VanDerWaalsContact CD2-CD1 3.43Å; L1126-I1179 HydrophobicContact CD2-CG1 3.83Å; L1126-I1179 HydrophobicContact CG-CD1 3.72Å; L1126-I1179 VanDerWaalsContact CG-CD1 3.48Å; L1126-I1179 HydrophobicContact CG-CG1 4.39Å |
| 1127 | L | 76.3 | Confident | 71.1 | Confident | 27.8 Ų | 27.8 | 70.9 Ų | 70.9 | 15% | 0.146 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69 | -13.7 | 178.1 | -69.7 | 173.5 | 0 | 0 | 0 | 113.9 | I1123 N1124 E1125 F1139 L1142 K1143 H1146 | I1123-L1127 HydrophobicContact CG2-CD1 4.08Å; I1123-L1127 HydrophobicContact CG2-CG 4.05Å; I1123-L1127 WeakPolarHBondContact O-CB 3.23Å; I1123-L1127 WeakPolarHBondContact O-CG 3.44Å; I1123-L1127 PolarHBondContact O-N 3.1Å; I1123-L1127 VanDerWaalsContact O-N 3.08Å; N1124-L1127 PolarHBondContact O-N 3.18Å; E1125-L1127 VanDerWaalsContact C-N 3.31Å; E1125-L1127 PolarHBondContact O-N 3.17Å; L1127-F1139 HydrophobicContact CB-CE2 4.46Å; L1127-F1139 HydrophobicContact CD2-CD2 3.99Å; L1127-F1139 HydrophobicContact CD2-CE2 3.79Å; L1127-F1139 HydrophobicContact CD2-CG 4.49Å; L1127-F1139 HydrophobicContact CD2-CZ 4.28Å; L1127-F1139 WeakPolarHBondContact O-CE2 3.47Å; L1127-L1142 HydrophobicContact CD2-CB 4.22Å; L1127-L1142 HydrophobicContact CD2-CD2 4.13Å; L1127-L1142 HydrophobicContact CD2-CG 4.32Å; L1127-L1142 HydrophobicContact CG-CD2 4.34Å; L1127-K1143 HydrophobicContact CD1-CB 4.44Å; L1127-K1143 HydrophobicContact CD2-CB 4Å; L1127-H1146 HydrophobicContact CD1-CB 3.82Å; L1127-H1146 VanDerWaalsContact CD1-CG 3.46Å |
| 1128 | Q | 72.6 | Confident | 71.2 | Confident | 137.6 Ų | 137.6 | 65.3 Ų | 65.3 | 64% | 0.643 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -12.3 | 172.4 | -72.4 | 176.8 | 44.9 | 0 | 0 | 113.4 | N1124 E1125 L1126 D1130 | N1124-Q1128 WeakPolarHBondContact O-CB 3.41Å; N1124-Q1128 VanDerWaalsContact O-CG 3.3Å; N1124-Q1128 WeakPolarHBondContact O-CG 3.25Å; N1124-Q1128 PolarHBondContact O-N 2.95Å; N1124-Q1128 VanDerWaalsContact O-N 3.12Å; N1124-Q1128 PolarHBondContact O-NE2 3.11Å; N1124-Q1128 VanDerWaalsContact O-NE2 3.09Å; E1125-Q1128 WeakPolarHBondContact O-CA 3.33Å; E1125-Q1128 WeakPolarHBondContact O-CB 3.44Å; E1125-Q1128 PolarHBondContact O-N 3.16Å; L1126-Q1128 PolarHBondContact O-N 3.21Å; Q1128-D1130 PolarHBondContact O-N 3.24Å |
| 1129 | T | 66.7 | Low | 71.5 | Confident | 35.2 Ų | 35.2 | 61.3 Ų | 61.3 | 22% | 0.216 | 31% | 0.312 | C | S | . | . | trans | -79.5 | 124.6 | 178 | 38.7 | 0 | 0 | 0 | 0 | 112.4 | E1125 L1126 V1131 L1132 I1179 | E1125-T1129 PolarHBondContact O-N 3.1Å; E1125-T1129 VanDerWaalsContact O-N 3.11Å; E1125-T1129 PolarHBondContact O-OG1 3.03Å; L1126-T1129 PolarHBondContact O-N 2.99Å; L1126-T1129 VanDerWaalsContact O-N 3.13Å; L1126-T1129 PolarHBondContact O-OG1 3Å; T1129-V1131 HydrophobicContact CG2-CB 4.38Å; T1129-V1131 HydrophobicContact CG2-CG2 4.32Å; T1129-V1131 PolarHBondContact O-N 3.18Å; T1129-V1131 VanDerWaalsContact O-N 3.14Å; T1129-L1132 PolarHBondContact O-N 3.13Å; T1129-I1179 HydrophobicContact CG2-CD1 3.93Å; T1129-I1179 HydrophobicContact CG2-CG1 4.26Å; T1129-I1179 WeakPolarHBondContact OG1-CD1 3.5Å | ||
| 1130 | D | 60.2 | Low | 71.8 | Confident | 104.2 Ų | 104.2 | 64.8 Ų | 64.8 | 56% | 0.557 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62 | -19.1 | 176.6 | -76.7 | -44.2 | 0 | 0 | 0 | 113.5 | Q1128 L1132 R1133 S1134 | Q1128-D1130 PolarHBondContact O-N 3.24Å; D1130-L1132 VanDerWaalsContact C-N 3.3Å; D1130-L1132 PolarHBondContact O-N 2.82Å; D1130-R1133 WeakPolarHBondContact O-CB 3.39Å; D1130-R1133 PolarHBondContact O-N 3.16Å; D1130-R1133 WeakPolarHBondContact OD1-CD 3.36Å; D1130-R1133 IonicContact OD1-CZ 2.87Å; D1130-R1133 IonicContact OD1-NE 3.41Å; D1130-R1133 IonicContact OD1-NH1 3Å; D1130-R1133 PolarHBondContact OD1-NH1 3.26Å; D1130-S1134 PolarHBondContact O-N 2.89Å |
| 1131 | V | 56.8 | Low | 71.9 | Confident | 57 Ų | 57 | 66.9 Ų | 66.9 | 35% | 0.345 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 176 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | T1129 R1133 S1134 T1178 I1179 V1182 | T1129-V1131 HydrophobicContact CG2-CB 4.38Å; T1129-V1131 HydrophobicContact CG2-CG2 4.32Å; T1129-V1131 PolarHBondContact O-N 3.18Å; T1129-V1131 VanDerWaalsContact O-N 3.14Å; V1131-R1133 VanDerWaalsContact C-N 3.3Å; V1131-R1133 PolarHBondContact O-N 3.07Å; V1131-S1134 WeakPolarHBondContact O-CB 3.32Å; V1131-S1134 PolarHBondContact O-N 3.09Å; V1131-S1134 VanDerWaalsContact O-N 3.15Å; V1131-S1134 PolarHBondContact O-OG 3.23Å; V1131-T1178 HydrophobicContact CG1-CG2 3.89Å; V1131-I1179 HydrophobicContact CG1-CG2 4.15Å; V1131-V1182 HydrophobicContact CB-CG2 4Å; V1131-V1182 HydrophobicContact CG1-CB 3.83Å; V1131-V1182 HydrophobicContact CG1-CG1 4.21Å; V1131-V1182 HydrophobicContact CG1-CG2 3.87Å; V1131-V1182 HydrophobicContact CG2-CB 3.96Å; V1131-V1182 HydrophobicContact CG2-CG1 3.63Å; V1131-V1182 HydrophobicContact CG2-CG2 3.73Å |
| 1132 | L | 59.8 | Low | 72.2 | Confident | 1.8 Ų | 1.8 | 63.2 Ų | 63.2 | 1% | 0.009 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.1 | -27.9 | 178.6 | -72.2 | -175.6 | 0 | 0 | 0 | 112.8 | L1126 T1129 D1130 S1134 N1135 L1138 F1139 L1142 T1178 I1179 | L1126-L1132 HydrophobicContact CB-CD1 3.9Å; L1126-L1132 HydrophobicContact CD2-CD1 3.77Å; L1126-L1132 HydrophobicContact CD2-CG 4.4Å; L1126-L1132 HydrophobicContact CG-CD1 4.4Å; L1126-L1132 VanDerWaalsContact O-CD1 3.24Å; L1126-L1132 WeakPolarHBondContact O-CD1 3.34Å; T1129-L1132 PolarHBondContact O-N 3.13Å; D1130-L1132 VanDerWaalsContact C-N 3.3Å; D1130-L1132 PolarHBondContact O-N 2.82Å; L1132-S1134 PolarHBondContact O-N 3.06Å; L1132-N1135 CarbonylContact O-C 3.31Å; L1132-N1135 VanDerWaalsContact O-C 3.27Å; L1132-N1135 WeakPolarHBondContact O-CA 3.2Å; L1132-N1135 PolarHBondContact O-N 3.17Å; L1132-L1138 HydrophobicContact CD1-CD2 4.22Å; L1132-L1138 HydrophobicContact CD2-CD1 4.46Å; L1132-L1138 HydrophobicContact CD2-CD2 3.74Å; L1132-L1138 HydrophobicContact CD2-CG 4.29Å; L1132-F1139 HydrophobicContact CB-CD2 4.23Å; L1132-L1142 HydrophobicContact CD1-CD1 3.61Å; L1132-L1142 VanDerWaalsContact CD1-CD1 3.42Å; L1132-L1142 HydrophobicContact CD1-CD2 3.95Å; L1132-T1178 HydrophobicContact CD2-CG2 3.94Å; L1132-T1178 HydrophobicContact CG-CG2 4.17Å; L1132-I1179 HydrophobicContact CD1-CG1 4.45Å; L1132-I1179 HydrophobicContact CD2-CD1 4.09Å; L1132-I1179 HydrophobicContact CD2-CG1 4.17Å; L1132-I1179 HydrophobicContact CG-CG1 4.46Å |
| 1133 | R | 64.4 | Low | 72.8 | Confident | 150.6 Ų | 150.6 | 64 Ų | 64 | 57% | 0.568 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.4 | -17.8 | 174.9 | -110.4 | 177.9 | -152.3 | 156.4 | -5.3 | 113.3 | D1130 V1131 N1135 F1139 | D1130-R1133 WeakPolarHBondContact O-CB 3.39Å; D1130-R1133 PolarHBondContact O-N 3.16Å; D1130-R1133 WeakPolarHBondContact OD1-CD 3.36Å; D1130-R1133 IonicContact OD1-CZ 2.87Å; D1130-R1133 IonicContact OD1-NE 3.41Å; D1130-R1133 IonicContact OD1-NH1 3Å; D1130-R1133 PolarHBondContact OD1-NH1 3.26Å; V1131-R1133 VanDerWaalsContact C-N 3.3Å; V1131-R1133 PolarHBondContact O-N 3.07Å; R1133-N1135 VanDerWaalsContact C-N 3.29Å; R1133-F1139 HydrophobicContact CG-CD2 4.33Å; R1133-F1139 HydrophobicContact CG-CE2 4.32Å |
| 1134 | S | 62 | Low | 73.1 | Confident | 96.8 Ų | 96.8 | 67.4 Ų | 67.4 | 68% | 0.677 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -69.8 | -27.9 | 170.9 | 59.6 | 0 | 0 | 0 | 0 | 113 | D1130 V1131 L1132 I1136 | D1130-S1134 PolarHBondContact O-N 2.89Å; V1131-S1134 WeakPolarHBondContact O-CB 3.32Å; V1131-S1134 PolarHBondContact O-N 3.09Å; V1131-S1134 VanDerWaalsContact O-N 3.15Å; V1131-S1134 PolarHBondContact O-OG 3.23Å; L1132-S1134 PolarHBondContact O-N 3.06Å; S1134-I1136 PolarHBondContact O-N 3.2Å |
| 1135 | N | 70.8 | Confident | 73.3 | Confident | 49.2 Ų | 49.2 | 64.7 Ų | 64.7 | 26% | 0.263 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -109.4 | 87 | 176 | -172.1 | -20.4 | 0 | 0 | 0 | 110 | L1132 R1133 E1137 L1138 F1139 G1175 I1179 | L1132-N1135 CarbonylContact O-C 3.31Å; L1132-N1135 VanDerWaalsContact O-C 3.27Å; L1132-N1135 WeakPolarHBondContact O-CA 3.2Å; L1132-N1135 PolarHBondContact O-N 3.17Å; R1133-N1135 VanDerWaalsContact C-N 3.29Å; N1135-E1137 VanDerWaalsContact C-N 3.27Å; N1135-E1137 PolarHBondContact O-N 3.29Å; N1135-E1137 VanDerWaalsContact O-N 3.09Å; N1135-E1137 WeakPolarHBondContact OD1-CB 3.44Å; N1135-E1137 PolarHBondContact OD1-N 3.01Å; N1135-L1138 HydrophobicContact CB-CB 4.2Å; N1135-L1138 VanDerWaalsContact CG-CB 3.48Å; N1135-L1138 WeakPolarHBondContact ND2-CB 3.29Å; N1135-L1138 PolarHBondContact O-N 3.06Å; N1135-L1138 PolarHBondContact OD1-N 3Å; N1135-L1138 VanDerWaalsContact OD1-N 3.14Å; N1135-F1139 VanDerWaalsContact O-CB 3.3Å; N1135-F1139 WeakPolarHBondContact O-CB 3.29Å; N1135-F1139 PolarHBondContact O-N 2.99Å; N1135-F1139 VanDerWaalsContact O-N 3.11Å; N1135-G1175 WeakPolarHBondContact ND2-CA 3.16Å; N1135-G1175 PolarHBondContact ND2-O 2.65Å; N1135-I1179 HydrophobicContact CB-CD1 3.78Å; N1135-I1179 HydrophobicContact CB-CG1 3.9Å |
| 1136 | I | 73.2 | Confident | 74 | Confident | 122 Ų | 122 | 61.6 Ų | 61.6 | 63% | 0.626 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -57.1 | -38.5 | -175 | -61.9 | 172 | 0 | 0 | 0 | 112.1 | S1134 F1139 E1140 | S1134-I1136 PolarHBondContact O-N 3.2Å; I1136-F1139 PolarHBondContact O-N 2.89Å; I1136-E1140 HydrophobicContact CG2-CG 4.43Å; I1136-E1140 WeakPolarHBondContact O-CB 3.17Å; I1136-E1140 WeakPolarHBondContact O-CG 3.31Å; I1136-E1140 PolarHBondContact O-N 3.28Å |
| 1137 | E | 73.7 | Confident | 74.7 | Confident | 139 Ų | 139 | 64.2 Ų | 64.2 | 65% | 0.65 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67.8 | -47.3 | -178.2 | -156.9 | 168.5 | 176.8 | 0 | 0 | 111.6 | N1135 F1139 E1140 R1141 | N1135-E1137 VanDerWaalsContact C-N 3.27Å; N1135-E1137 PolarHBondContact O-N 3.29Å; N1135-E1137 VanDerWaalsContact O-N 3.09Å; N1135-E1137 WeakPolarHBondContact OD1-CB 3.44Å; N1135-E1137 PolarHBondContact OD1-N 3.01Å; E1137-F1139 VanDerWaalsContact C-N 3.31Å; E1137-F1139 PolarHBondContact O-N 3.18Å; E1137-E1140 PolarHBondContact O-N 3.23Å; E1137-R1141 VanDerWaalsContact O-CB 3.3Å; E1137-R1141 WeakPolarHBondContact O-CB 3.34Å; E1137-R1141 PolarHBondContact O-N 3.17Å |
| 1138 | L | 77.8 | Confident | 75.1 | Confident | 11 Ų | 11 | 66.5 Ų | 66.5 | 6% | 0.058 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.5 | -41 | 175.6 | -173 | 123.4 | 0 | 0 | 0 | 111.3 | L1132 N1135 R1141 L1142 T1171 I1172 D1174 I1179 | L1132-L1138 HydrophobicContact CD1-CD2 4.22Å; L1132-L1138 HydrophobicContact CD2-CD1 4.46Å; L1132-L1138 HydrophobicContact CD2-CD2 3.74Å; L1132-L1138 HydrophobicContact CD2-CG 4.29Å; N1135-L1138 HydrophobicContact CB-CB 4.2Å; N1135-L1138 VanDerWaalsContact CG-CB 3.48Å; N1135-L1138 WeakPolarHBondContact ND2-CB 3.29Å; N1135-L1138 PolarHBondContact O-N 3.06Å; N1135-L1138 PolarHBondContact OD1-N 3Å; N1135-L1138 VanDerWaalsContact OD1-N 3.14Å; L1138-R1141 PolarHBondContact O-N 3.24Å; L1138-L1142 HydrophobicContact CD1-CD1 3.98Å; L1138-L1142 HydrophobicContact CD1-CG 4.19Å; L1138-L1142 HydrophobicContact CD2-CB 4.49Å; L1138-L1142 HydrophobicContact CD2-CD1 3.56Å; L1138-L1142 HydrophobicContact CD2-CG 4.07Å; L1138-L1142 HydrophobicContact CG-CD1 3.96Å; L1138-L1142 VanDerWaalsContact O-CB 3.27Å; L1138-L1142 WeakPolarHBondContact O-CB 3.42Å; L1138-L1142 VanDerWaalsContact O-CG 3.29Å; L1138-L1142 WeakPolarHBondContact O-CG 3.22Å; L1138-L1142 PolarHBondContact O-N 2.92Å; L1138-T1171 HydrophobicContact CD2-CG2 4.36Å; L1138-T1171 HydrophobicContact CG-CG2 4.28Å; L1138-I1172 HydrophobicContact CD1-CB 4.27Å; L1138-I1172 HydrophobicContact CD1-CG1 4.19Å; L1138-I1172 HydrophobicContact CD1-CG2 4.34Å; L1138-D1174 HydrophobicContact CD1-CB 3.85Å; L1138-I1179 HydrophobicContact CD2-CD1 3.51Å; L1138-I1179 VanDerWaalsContact CD2-CD1 3.49Å |
| 1139 | F | 81.4 | Confident | 75.7 | Confident | 31.6 Ų | 31.6 | 60 Ų | 60 | 14% | 0.139 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62 | -50.7 | 178.4 | -179.3 | -93.6 | 0 | 0 | 0 | 112.5 | L1127 L1132 R1133 N1135 I1136 E1137 R1141 L1142 K1143 | L1127-F1139 HydrophobicContact CB-CE2 4.46Å; L1127-F1139 HydrophobicContact CD2-CD2 3.99Å; L1127-F1139 HydrophobicContact CD2-CE2 3.79Å; L1127-F1139 HydrophobicContact CD2-CG 4.49Å; L1127-F1139 HydrophobicContact CD2-CZ 4.28Å; L1127-F1139 WeakPolarHBondContact O-CE2 3.47Å; L1132-F1139 HydrophobicContact CB-CD2 4.23Å; R1133-F1139 HydrophobicContact CG-CD2 4.33Å; R1133-F1139 HydrophobicContact CG-CE2 4.32Å; N1135-F1139 VanDerWaalsContact O-CB 3.3Å; N1135-F1139 WeakPolarHBondContact O-CB 3.29Å; N1135-F1139 PolarHBondContact O-N 2.99Å; N1135-F1139 VanDerWaalsContact O-N 3.11Å; I1136-F1139 PolarHBondContact O-N 2.89Å; E1137-F1139 VanDerWaalsContact C-N 3.31Å; E1137-F1139 PolarHBondContact O-N 3.18Å; F1139-R1141 VanDerWaalsContact C-N 3.33Å; F1139-R1141 PolarHBondContact O-N 3.13Å; F1139-L1142 PolarHBondContact O-N 3.12Å; F1139-K1143 HydrophobicContact CD1-CD 4.47Å; F1139-K1143 HydrophobicContact CE1-CD 4Å; F1139-K1143 HydrophobicContact CZ-CD 4.44Å; F1139-K1143 VanDerWaalsContact O-CB 3.28Å; F1139-K1143 WeakPolarHBondContact O-CB 3.3Å; F1139-K1143 PolarHBondContact O-N 3.01Å |
| 1140 | E | 81 | Confident | 76.5 | Confident | 79.8 Ų | 79.8 | 62.9 Ų | 62.9 | 37% | 0.373 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.3 | -32.5 | 179.6 | -73.5 | -62.2 | 142 | 0 | 0 | 112.3 | I1136 E1137 K1143 T1144 | I1136-E1140 HydrophobicContact CG2-CG 4.43Å; I1136-E1140 WeakPolarHBondContact O-CB 3.17Å; I1136-E1140 WeakPolarHBondContact O-CG 3.31Å; I1136-E1140 PolarHBondContact O-N 3.28Å; E1137-E1140 PolarHBondContact O-N 3.23Å; E1140-K1143 PolarHBondContact O-N 3.32Å; E1140-K1143 WeakPolarHBondContact OE1-CD 3.47Å; E1140-K1143 IonicContact OE1-NZ 3.51Å; E1140-K1143 PolarHBondContact OE1-NZ 2.96Å; E1140-K1143 IonicContact OE2-NZ 3.24Å; E1140-K1143 PolarHBondContact OE2-NZ 3.06Å; E1140-T1144 WeakPolarHBondContact O-CB 3.3Å; E1140-T1144 PolarHBondContact O-N 3.1Å; E1140-T1144 PolarHBondContact O-OG1 3.08Å |
| 1141 | R | 82.4 | Confident | 77.5 | Confident | 70.4 Ų | 70.4 | 64.4 Ų | 64.4 | 27% | 0.266 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.4 | -45.6 | 174.1 | -164.2 | 109.3 | 178.3 | 150.5 | 3.4 | 111.9 | E1137 L1138 F1139 K1143 T1144 I1145 N1167 D1168 T1171 E1322 Q1326 | E1137-R1141 VanDerWaalsContact O-CB 3.3Å; E1137-R1141 WeakPolarHBondContact O-CB 3.34Å; E1137-R1141 PolarHBondContact O-N 3.17Å; L1138-R1141 PolarHBondContact O-N 3.24Å; F1139-R1141 VanDerWaalsContact C-N 3.33Å; F1139-R1141 PolarHBondContact O-N 3.13Å; R1141-K1143 VanDerWaalsContact C-N 3.32Å; R1141-K1143 PolarHBondContact O-N 3.26Å; R1141-T1144 WeakPolarHBondContact O-CB 3.37Å; R1141-T1144 PolarHBondContact O-N 3.1Å; R1141-I1145 HydrophobicContact CG-CD1 4.3Å; R1141-I1145 WeakPolarHBondContact O-CG1 3.37Å; R1141-I1145 PolarHBondContact O-N 3.02Å; R1141-I1145 VanDerWaalsContact O-N 3.08Å; R1141-N1167 VanDerWaalsContact CZ-ND2 3.31Å; R1141-N1167 PolarHBondContact NE-ND2 2.71Å; R1141-N1167 PolarHBondContact NH1-ND2 2.82Å; R1141-N1167 PolarHBondContact NH2-ND2 2.89Å; R1141-D1168 IonicContact CZ-OD1 2.94Å; R1141-D1168 IonicContact CZ-OD2 3.99Å; R1141-D1168 IonicContact NE-OD1 3.04Å; R1141-D1168 PolarHBondContact NE-OD1 2.97Å; R1141-D1168 IonicContact NH1-OD1 3.89Å; R1141-D1168 PolarHBondContact NH1-OD1 3.22Å; R1141-D1168 IonicContact NH2-OD1 3.25Å; R1141-D1168 PolarHBondContact NH2-OD1 2.99Å; R1141-D1168 IonicContact NH2-OD2 2.98Å; R1141-D1168 PolarHBondContact NH2-OD2 3.23Å; R1141-T1171 HydrophobicContact CB-CG2 3.91Å; R1141-T1171 WeakPolarHBondContact CD-OG1 3.39Å; R1141-T1171 HydrophobicContact CG-CG2 3.84Å; R1141-T1171 WeakPolarHBondContact CG-OG1 3.34Å; R1141-T1171 PolarHBondContact NE-OG1 3.5Å; R1141-T1171 VanDerWaalsContact NE-OG1 3.08Å; R1141-E1322 IonicContact NH2-OE2 3.33Å; R1141-Q1326 VanDerWaalsContact CZ-CD 3.48Å; R1141-Q1326 VanDerWaalsContact NH2-NE2 3.14Å |
| 1142 | L | 84 | Confident | 78.4 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 174.8 | -110.8 | 136.2 | 0 | 0 | 0 | 112.1 | L1102 L1105 I1123 L1126 L1127 L1132 L1138 F1139 T1144 I1145 H1146 T1171 I1172 | L1102-L1142 HydrophobicContact CD2-CD1 3.97Å; L1102-L1142 HydrophobicContact CD2-CD2 3.78Å; L1102-L1142 HydrophobicContact CD2-CG 4.44Å; L1105-L1142 HydrophobicContact CD1-CD2 4.25Å; I1123-L1142 HydrophobicContact CD1-CD1 4.42Å; I1123-L1142 HydrophobicContact CG2-CD1 4.08Å; I1123-L1142 HydrophobicContact CG2-CD2 4.41Å; I1123-L1142 HydrophobicContact CG2-CG 4.16Å; L1126-L1142 HydrophobicContact CB-CD1 4.38Å; L1126-L1142 HydrophobicContact CB-CD2 3.59Å; L1126-L1142 HydrophobicContact CD1-CD2 4.14Å; L1126-L1142 HydrophobicContact CD2-CD1 4.19Å; L1126-L1142 HydrophobicContact CG-CD2 4.32Å; L1127-L1142 HydrophobicContact CD2-CB 4.22Å; L1127-L1142 HydrophobicContact CD2-CD2 4.13Å; L1127-L1142 HydrophobicContact CD2-CG 4.32Å; L1127-L1142 HydrophobicContact CG-CD2 4.34Å; L1132-L1142 HydrophobicContact CD1-CD1 3.61Å; L1132-L1142 VanDerWaalsContact CD1-CD1 3.42Å; L1132-L1142 HydrophobicContact CD1-CD2 3.95Å; L1138-L1142 HydrophobicContact CD1-CD1 3.98Å; L1138-L1142 HydrophobicContact CD1-CG 4.19Å; L1138-L1142 HydrophobicContact CD2-CB 4.49Å; L1138-L1142 HydrophobicContact CD2-CD1 3.56Å; L1138-L1142 HydrophobicContact CD2-CG 4.07Å; L1138-L1142 HydrophobicContact CG-CD1 3.96Å; L1138-L1142 VanDerWaalsContact O-CB 3.27Å; L1138-L1142 WeakPolarHBondContact O-CB 3.42Å; L1138-L1142 VanDerWaalsContact O-CG 3.29Å; L1138-L1142 WeakPolarHBondContact O-CG 3.22Å; L1138-L1142 PolarHBondContact O-N 2.92Å; F1139-L1142 PolarHBondContact O-N 3.12Å; L1142-T1144 VanDerWaalsContact C-N 3.32Å; L1142-T1144 PolarHBondContact O-N 2.85Å; L1142-I1145 WeakPolarHBondContact O-CB 3.35Å; L1142-I1145 PolarHBondContact O-N 3.05Å; L1142-H1146 VanDerWaalsContact O-CB 3.26Å; L1142-H1146 WeakPolarHBondContact O-CB 3.4Å; L1142-H1146 PolarHBondContact O-N 2.96Å; L1142-T1171 HydrophobicContact CB-CG2 4.35Å; L1142-T1171 HydrophobicContact CD2-CG2 4.04Å; L1142-T1171 HydrophobicContact CG-CG2 4.03Å; L1142-I1172 HydrophobicContact CD1-CG1 4.26Å; L1142-I1172 HydrophobicContact CD2-CD1 4.05Å; L1142-I1172 HydrophobicContact CD2-CG1 4.27Å |
| 1143 | K | 85.2 | Confident | 79.3 | Confident | 84.6 Ų | 84.6 | 64.4 Ų | 64.4 | 37% | 0.368 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.5 | -36.6 | 174.9 | 177.7 | 176.3 | 163 | -135.1 | 0 | 112.5 | L1127 F1139 E1140 R1141 H1146 S1147 | L1127-K1143 HydrophobicContact CD1-CB 4.44Å; L1127-K1143 HydrophobicContact CD2-CB 4Å; F1139-K1143 HydrophobicContact CD1-CD 4.47Å; F1139-K1143 HydrophobicContact CE1-CD 4Å; F1139-K1143 HydrophobicContact CZ-CD 4.44Å; F1139-K1143 VanDerWaalsContact O-CB 3.28Å; F1139-K1143 WeakPolarHBondContact O-CB 3.3Å; F1139-K1143 PolarHBondContact O-N 3.01Å; E1140-K1143 PolarHBondContact O-N 3.32Å; E1140-K1143 WeakPolarHBondContact OE1-CD 3.47Å; E1140-K1143 IonicContact OE1-NZ 3.51Å; E1140-K1143 PolarHBondContact OE1-NZ 2.96Å; E1140-K1143 IonicContact OE2-NZ 3.24Å; E1140-K1143 PolarHBondContact OE2-NZ 3.06Å; R1141-K1143 VanDerWaalsContact C-N 3.32Å; R1141-K1143 PolarHBondContact O-N 3.26Å; K1143-H1146 WeakPolarHBondContact O-CB 3.38Å; K1143-H1146 PolarHBondContact O-N 2.91Å; K1143-S1147 WeakPolarHBondContact O-CB 3.32Å; K1143-S1147 PolarHBondContact O-N 3.08Å; K1143-S1147 VanDerWaalsContact O-N 3.12Å; K1143-S1147 PolarHBondContact O-OG 3.32Å |
| 1144 | T | 84.1 | Confident | 80 | Confident | 71.8 Ų | 71.8 | 61.4 Ų | 61.4 | 44% | 0.44 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.6 | -44.8 | 173 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | E1140 R1141 L1142 H1146 S1147 R1148 | E1140-T1144 WeakPolarHBondContact O-CB 3.3Å; E1140-T1144 PolarHBondContact O-N 3.1Å; E1140-T1144 PolarHBondContact O-OG1 3.08Å; R1141-T1144 WeakPolarHBondContact O-CB 3.37Å; R1141-T1144 PolarHBondContact O-N 3.1Å; L1142-T1144 VanDerWaalsContact C-N 3.32Å; L1142-T1144 PolarHBondContact O-N 2.85Å; T1144-H1146 VanDerWaalsContact C-N 3.33Å; T1144-H1146 PolarHBondContact O-N 3.34Å; T1144-S1147 WeakPolarHBondContact O-CB 3.33Å; T1144-S1147 PolarHBondContact O-N 3.1Å; T1144-S1147 VanDerWaalsContact O-N 3.17Å; T1144-R1148 WeakPolarHBondContact O-CG 3.32Å; T1144-R1148 PolarHBondContact O-N 3.14Å; T1144-R1148 VanDerWaalsContact O-N 3.14Å |
| 1145 | I | 83.8 | Confident | 80.6 | Confident | 1.4 Ų | 1.4 | 59 Ų | 59 | 1% | 0.007 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 175.3 | -67.7 | 165 | 0 | 0 | 0 | 110.7 | I1123 R1141 L1142 S1147 R1148 M1149 L1162 L1164 D1168 T1171 I1172 | I1123-I1145 HydrophobicContact CD1-CG2 4.46Å; R1141-I1145 HydrophobicContact CG-CD1 4.3Å; R1141-I1145 WeakPolarHBondContact O-CG1 3.37Å; R1141-I1145 PolarHBondContact O-N 3.02Å; R1141-I1145 VanDerWaalsContact O-N 3.08Å; L1142-I1145 WeakPolarHBondContact O-CB 3.35Å; L1142-I1145 PolarHBondContact O-N 3.05Å; I1145-S1147 VanDerWaalsContact C-N 3.33Å; I1145-S1147 PolarHBondContact O-N 3.11Å; I1145-R1148 PolarHBondContact O-N 3.22Å; I1145-M1149 HydrophobicContact CG2-CE 3.77Å; I1145-M1149 HydrophobicContact CG2-CG 4.45Å; I1145-M1149 HydrophobicContact CG2-SD 4.07Å; I1145-M1149 WeakPolarHBondContact O-CG 3.31Å; I1145-M1149 PolarHBondContact O-N 3.19Å; I1145-L1162 HydrophobicContact CG2-CD2 4.24Å; I1145-L1164 HydrophobicContact CB-CD2 4.44Å; I1145-L1164 HydrophobicContact CD1-CD2 3.83Å; I1145-L1164 HydrophobicContact CG1-CD2 3.84Å; I1145-L1164 HydrophobicContact CG2-CD2 4.11Å; I1145-D1168 HydrophobicContact CD1-CB 3.91Å; I1145-D1168 WeakPolarHBondContact CD1-OD1 3.28Å; I1145-D1168 HydrophobicContact CG1-CB 4.12Å; I1145-D1168 WeakPolarHBondContact CG1-OD1 3.42Å; I1145-T1171 HydrophobicContact CD1-CG2 4.23Å; I1145-I1172 HydrophobicContact CD1-CD1 3.7Å; I1145-I1172 HydrophobicContact CD1-CG1 4.29Å; I1145-I1172 HydrophobicContact CG2-CD1 4.13Å; I1145-I1172 HydrophobicContact CG2-CG1 4.39Å |
| 1146 | H | 87.6 | Confident | 80.4 | Confident | 16.4 Ų | 16.4 | 63.4 Ų | 63.4 | 8% | 0.076 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.6 | -42.4 | 176.4 | 178.9 | -94.9 | 0 | 0 | 0 | 112.6 | M1120 I1123 N1124 L1127 L1142 K1143 T1144 R1148 M1149 Q1150 | M1120-H1146 VanDerWaalsContact CE-NE2 3.3Å; M1120-H1146 WeakPolarHBondContact CE-NE2 3.21Å; M1120-H1146 VanDerWaalsContact CE-O 3.31Å; M1120-H1146 WeakPolarHBondContact CE-O 3.36Å; M1120-H1146 PolarHBondContact SD-CD2 2.91Å; M1120-H1146 PolarHBondContact SD-NE2 3.04Å; M1120-H1146 VanDerWaalsContact SD-NE2 3.35Å; I1123-H1146 HydrophobicContact CG2-CB 3.92Å; N1124-H1146 VanDerWaalsContact CG-NE2 3.3Å; N1124-H1146 PolarHBondContact ND2-NE2 3Å; N1124-H1146 VanDerWaalsContact ND2-NE2 3.16Å; N1124-H1146 PolarHBondContact OD1-CE1 3.1Å; N1124-H1146 PolarHBondContact OD1-NE2 3.28Å; N1124-H1146 VanDerWaalsContact OD1-NE2 3.1Å; L1127-H1146 HydrophobicContact CD1-CB 3.82Å; L1127-H1146 VanDerWaalsContact CD1-CG 3.46Å; L1142-H1146 VanDerWaalsContact O-CB 3.26Å; L1142-H1146 WeakPolarHBondContact O-CB 3.4Å; L1142-H1146 PolarHBondContact O-N 2.96Å; K1143-H1146 WeakPolarHBondContact O-CB 3.38Å; K1143-H1146 PolarHBondContact O-N 2.91Å; T1144-H1146 VanDerWaalsContact C-N 3.33Å; T1144-H1146 PolarHBondContact O-N 3.34Å; H1146-R1148 PolarHBondContact O-N 2.88Å; H1146-M1149 WeakPolarHBondContact O-CB 3.36Å; H1146-M1149 PolarHBondContact O-N 2.97Å; H1146-M1149 VanDerWaalsContact O-N 3.14Å; H1146-Q1150 PolarHBondContact CE1-NE2 3.19Å; H1146-Q1150 VanDerWaalsContact CE1-NE2 3.35Å; H1146-Q1150 WeakPolarHBondContact O-CB 3.41Å; H1146-Q1150 WeakPolarHBondContact O-CG 3.38Å; H1146-Q1150 PolarHBondContact O-N 3.12Å; H1146-Q1150 VanDerWaalsContact O-N 3.07Å |
| 1147 | S | 85.4 | Confident | 80.2 | Confident | 60.4 Ų | 60.4 | 60.7 Ų | 60.7 | 42% | 0.422 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 175.8 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | K1143 T1144 I1145 M1149 Q1150 E1151 | K1143-S1147 WeakPolarHBondContact O-CB 3.32Å; K1143-S1147 PolarHBondContact O-N 3.08Å; K1143-S1147 VanDerWaalsContact O-N 3.12Å; K1143-S1147 PolarHBondContact O-OG 3.32Å; T1144-S1147 WeakPolarHBondContact O-CB 3.33Å; T1144-S1147 PolarHBondContact O-N 3.1Å; T1144-S1147 VanDerWaalsContact O-N 3.17Å; I1145-S1147 VanDerWaalsContact C-N 3.33Å; I1145-S1147 PolarHBondContact O-N 3.11Å; S1147-M1149 VanDerWaalsContact C-N 3.29Å; S1147-M1149 PolarHBondContact O-N 2.79Å; S1147-Q1150 WeakPolarHBondContact O-CB 3.26Å; S1147-Q1150 PolarHBondContact O-N 3.02Å; S1147-Q1150 VanDerWaalsContact O-N 3.14Å; S1147-E1151 WeakPolarHBondContact O-CG 3.26Å; S1147-E1151 PolarHBondContact O-N 3.2Å |
| 1148 | R | 84.5 | Confident | 79.5 | Confident | 76 Ų | 76 | 58.8 Ų | 58.8 | 29% | 0.287 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.2 | -35.1 | 175.9 | -64.4 | 169.4 | 68.6 | -158.6 | -1.3 | 112.3 | T1144 I1145 H1146 Q1150 E1151 V1152 L1162 L1163 D1168 E1322 | T1144-R1148 WeakPolarHBondContact O-CG 3.32Å; T1144-R1148 PolarHBondContact O-N 3.14Å; T1144-R1148 VanDerWaalsContact O-N 3.14Å; I1145-R1148 PolarHBondContact O-N 3.22Å; H1146-R1148 PolarHBondContact O-N 2.88Å; R1148-Q1150 VanDerWaalsContact C-N 3.32Å; R1148-Q1150 PolarHBondContact O-N 2.94Å; R1148-E1151 PolarHBondContact O-N 3.18Å; R1148-V1152 WeakPolarHBondContact O-CG2 3.42Å; R1148-V1152 PolarHBondContact O-N 2.98Å; R1148-V1152 VanDerWaalsContact O-N 3.12Å; R1148-L1162 HydrophobicContact CB-CD1 3.64Å; R1148-L1162 HydrophobicContact CB-CD2 4.38Å; R1148-L1162 VanDerWaalsContact NH2-CD1 3.34Å; R1148-L1163 PolarHBondContact NH2-O 3.05Å; R1148-D1168 IonicContact CZ-OD2 2.84Å; R1148-D1168 IonicContact NH1-OD1 2.74Å; R1148-D1168 IonicContact NH1-OD2 3.16Å; R1148-D1168 PolarHBondContact NH1-OD2 2.97Å; R1148-D1168 IonicContact NH2-OD2 2.79Å; R1148-E1322 IonicContact CZ-OE1 2.71Å; R1148-E1322 IonicContact CZ-OE2 2.68Å; R1148-E1322 VanDerWaalsContact NH1-CD 3.35Å; R1148-E1322 IonicContact NH1-OE1 2.8Å; R1148-E1322 PolarHBondContact NH1-OE1 3.1Å; R1148-E1322 IonicContact NH1-OE2 2.99Å; R1148-E1322 PolarHBondContact NH1-OE2 3.38Å; R1148-E1322 IonicContact NH2-OE1 3.14Å; R1148-E1322 PolarHBondContact NH2-OE1 3.22Å; R1148-E1322 IonicContact NH2-OE2 3.99Å |
| 1149 | M | 84.2 | Confident | 78.9 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63 | -41.9 | 172 | -75.7 | 178 | 146.5 | 0 | 0 | 111.7 | L1105 L1111 I1116 V1119 M1120 I1123 I1145 H1146 S1147 E1151 V1152 V1153 L1162 I1172 | L1105-M1149 HydrophobicContact CD2-CE 3.99Å; L1111-M1149 HydrophobicContact CD1-CE 3.72Å; L1111-M1149 HydrophobicContact CD2-CE 3.7Å; L1111-M1149 HydrophobicContact CG-CE 4.36Å; I1116-M1149 HydrophobicContact CB-CE 4.3Å; I1116-M1149 HydrophobicContact CD1-CG 4.46Å; I1116-M1149 HydrophobicContact CG1-CE 4.1Å; I1116-M1149 HydrophobicContact CG1-CG 4.35Å; I1116-M1149 HydrophobicContact CG2-CB 3.68Å; I1116-M1149 HydrophobicContact CG2-CE 3.94Å; I1116-M1149 HydrophobicContact CG2-CG 3.97Å; I1116-M1149 HydrophobicContact CG2-SD 4.26Å; V1119-M1149 HydrophobicContact CB-CE 4.13Å; V1119-M1149 HydrophobicContact CG1-CE 3.98Å; M1120-M1149 HydrophobicContact CB-SD 4.01Å; M1120-M1149 HydrophobicContact CE-CB 3.76Å; M1120-M1149 HydrophobicContact CG-CB 4.47Å; M1120-M1149 HydrophobicContact CG-SD 4.3Å; M1120-M1149 HydrophobicContact SD-CB 3.81Å; I1123-M1149 HydrophobicContact CD1-CE 3.75Å; I1123-M1149 VanDerWaalsContact CD1-CE 3.42Å; I1123-M1149 HydrophobicContact CD1-SD 3.64Å; I1123-M1149 VanDerWaalsContact CD1-SD 3.51Å; I1145-M1149 HydrophobicContact CG2-CE 3.77Å; I1145-M1149 HydrophobicContact CG2-CG 4.45Å; I1145-M1149 HydrophobicContact CG2-SD 4.07Å; I1145-M1149 WeakPolarHBondContact O-CG 3.31Å; I1145-M1149 PolarHBondContact O-N 3.19Å; H1146-M1149 WeakPolarHBondContact O-CB 3.36Å; H1146-M1149 PolarHBondContact O-N 2.97Å; H1146-M1149 VanDerWaalsContact O-N 3.14Å; S1147-M1149 VanDerWaalsContact C-N 3.29Å; S1147-M1149 PolarHBondContact O-N 2.79Å; M1149-E1151 VanDerWaalsContact C-N 3.34Å; M1149-E1151 PolarHBondContact O-N 3.15Å; M1149-V1152 PolarHBondContact O-N 3.14Å; M1149-V1153 WeakPolarHBondContact O-CG2 3.28Å; M1149-V1153 PolarHBondContact O-N 3.16Å; M1149-V1153 VanDerWaalsContact O-N 3.11Å; M1149-L1162 HydrophobicContact CB-CD2 4.35Å; M1149-L1162 HydrophobicContact CE-CD2 4.2Å; M1149-L1162 HydrophobicContact CG-CD2 3.37Å; M1149-L1162 VanDerWaalsContact CG-CD2 3.47Å; M1149-L1162 HydrophobicContact SD-CD2 4.38Å; M1149-I1172 HydrophobicContact CE-CD1 4.4Å |
| 1150 | Q | 84.1 | Confident | 78.1 | Confident | 96.2 Ų | 96.2 | 66.8 Ų | 66.8 | 45% | 0.45 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.1 | -37.5 | 176.7 | -107.9 | -179.4 | -9.1 | 0 | 0 | 112.1 | M1120 H1146 S1147 R1148 V1153 S1154 | M1120-Q1150 HydrophobicContact CE-CB 4.1Å; M1120-Q1150 HydrophobicContact CE-CG 4.17Å; M1120-Q1150 HydrophobicContact SD-CG 3.86Å; H1146-Q1150 PolarHBondContact CE1-NE2 3.19Å; H1146-Q1150 VanDerWaalsContact CE1-NE2 3.35Å; H1146-Q1150 WeakPolarHBondContact O-CB 3.41Å; H1146-Q1150 WeakPolarHBondContact O-CG 3.38Å; H1146-Q1150 PolarHBondContact O-N 3.12Å; H1146-Q1150 VanDerWaalsContact O-N 3.07Å; S1147-Q1150 WeakPolarHBondContact O-CB 3.26Å; S1147-Q1150 PolarHBondContact O-N 3.02Å; S1147-Q1150 VanDerWaalsContact O-N 3.14Å; R1148-Q1150 VanDerWaalsContact C-N 3.32Å; R1148-Q1150 PolarHBondContact O-N 2.94Å; Q1150-V1153 PolarHBondContact O-N 2.96Å; Q1150-S1154 VanDerWaalsContact O-CB 3.25Å; Q1150-S1154 WeakPolarHBondContact O-CB 3.37Å; Q1150-S1154 PolarHBondContact O-N 3.11Å; Q1150-S1154 PolarHBondContact O-OG 3.28Å |
| 1151 | E | 80.3 | Confident | 77.5 | Confident | 135.8 Ų | 135.8 | 67.3 Ų | 67.3 | 64% | 0.635 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.2 | -45.1 | 173.2 | -86.1 | 179.6 | 163.5 | 0 | 0 | 112.1 | S1147 R1148 M1149 V1153 S1154 S1155 | S1147-E1151 WeakPolarHBondContact O-CG 3.26Å; S1147-E1151 PolarHBondContact O-N 3.2Å; R1148-E1151 PolarHBondContact O-N 3.18Å; M1149-E1151 VanDerWaalsContact C-N 3.34Å; M1149-E1151 PolarHBondContact O-N 3.15Å; E1151-V1153 PolarHBondContact O-N 3.21Å; E1151-S1154 PolarHBondContact O-N 2.88Å; E1151-S1154 PolarHBondContact O-OG 3Å; E1151-S1155 WeakPolarHBondContact O-CB 3.37Å; E1151-S1155 PolarHBondContact O-N 2.98Å; E1151-S1155 VanDerWaalsContact O-N 3.11Å |
| 1152 | V | 76.7 | Confident | 77 | Confident | 14.6 Ų | 14.6 | 64.3 Ų | 64.3 | 9% | 0.088 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 177.7 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | I1116 R1148 M1149 S1154 S1155 H1160 L1162 | I1116-V1152 HydrophobicContact CD1-CB 3.79Å; I1116-V1152 HydrophobicContact CD1-CG1 3.53Å; I1116-V1152 VanDerWaalsContact CD1-CG1 3.47Å; I1116-V1152 HydrophobicContact CD1-CG2 4.34Å; R1148-V1152 WeakPolarHBondContact O-CG2 3.42Å; R1148-V1152 PolarHBondContact O-N 2.98Å; R1148-V1152 VanDerWaalsContact O-N 3.12Å; M1149-V1152 PolarHBondContact O-N 3.14Å; V1152-S1154 VanDerWaalsContact C-N 3.33Å; V1152-S1154 PolarHBondContact O-N 3.27Å; V1152-S1155 WeakPolarHBondContact O-CB 3.42Å; V1152-S1155 PolarHBondContact O-N 3.22Å; V1152-S1155 PolarHBondContact O-OG 3.17Å; V1152-H1160 HydrophobicContact CG1-CB 4.14Å; V1152-H1160 WeakPolarHBondContact CG1-O 3.47Å; V1152-H1160 WeakPolarHBondContact CG2-ND1 3.29Å; V1152-L1162 HydrophobicContact CG2-CB 4.09Å; V1152-L1162 HydrophobicContact CG2-CD1 4.13Å |
| 1153 | V | 79.1 | Confident | 76.3 | Confident | 44.4 Ų | 44.4 | 68.8 Ų | 68.8 | 27% | 0.269 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 177.5 | 174.2 | 0 | 0 | 0 | 0 | 111.7 | I1116 Q1117 M1120 M1149 Q1150 E1151 S1155 N1156 | I1116-V1153 HydrophobicContact CB-CG2 4.15Å; I1116-V1153 HydrophobicContact CG2-CG2 3.49Å; I1116-V1153 VanDerWaalsContact CG2-CG2 3.46Å; Q1117-V1153 HydrophobicContact CG-CG1 4.22Å; Q1117-V1153 HydrophobicContact CG-CG2 4.31Å; M1120-V1153 HydrophobicContact CE-CB 4.39Å; M1120-V1153 HydrophobicContact CE-CG1 4.49Å; M1120-V1153 HydrophobicContact CE-CG2 4.12Å; M1149-V1153 WeakPolarHBondContact O-CG2 3.28Å; M1149-V1153 PolarHBondContact O-N 3.16Å; M1149-V1153 VanDerWaalsContact O-N 3.11Å; Q1150-V1153 PolarHBondContact O-N 2.96Å; E1151-V1153 PolarHBondContact O-N 3.21Å; V1153-S1155 VanDerWaalsContact C-N 3.29Å; V1153-S1155 PolarHBondContact O-N 3.11Å; V1153-N1156 PolarHBondContact O-N 3.33Å |
| 1154 | S | 79.6 | Confident | 75.6 | Confident | 87.6 Ų | 87.6 | 65.1 Ų | 65.1 | 61% | 0.613 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -70.4 | -18.6 | 179.6 | -42.9 | 0 | 0 | 0 | 0 | 113.6 | Q1150 E1151 V1152 N1156 | Q1150-S1154 VanDerWaalsContact O-CB 3.25Å; Q1150-S1154 WeakPolarHBondContact O-CB 3.37Å; Q1150-S1154 PolarHBondContact O-N 3.11Å; Q1150-S1154 PolarHBondContact O-OG 3.28Å; E1151-S1154 PolarHBondContact O-N 2.88Å; E1151-S1154 PolarHBondContact O-OG 3Å; V1152-S1154 VanDerWaalsContact C-N 3.33Å; V1152-S1154 PolarHBondContact O-N 3.27Å; S1154-N1156 VanDerWaalsContact C-N 3.27Å; S1154-N1156 PolarHBondContact O-N 3.2Å |
| 1155 | S | 74 | Confident | 75 | Confident | 46.2 Ų | 46.2 | 63.2 Ų | 63.2 | 32% | 0.323 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -14.6 | -179.8 | 76.4 | 0 | 0 | 0 | 0 | 114.3 | E1151 V1152 V1153 N1157 H1160 | E1151-S1155 WeakPolarHBondContact O-CB 3.37Å; E1151-S1155 PolarHBondContact O-N 2.98Å; E1151-S1155 VanDerWaalsContact O-N 3.11Å; V1152-S1155 WeakPolarHBondContact O-CB 3.42Å; V1152-S1155 PolarHBondContact O-N 3.22Å; V1152-S1155 PolarHBondContact O-OG 3.17Å; V1153-S1155 VanDerWaalsContact C-N 3.29Å; V1153-S1155 PolarHBondContact O-N 3.11Å; S1155-N1157 PolarHBondContact O-N 3.16Å; S1155-N1157 PolarHBondContact OG-N 3.28Å; S1155-H1160 VanDerWaalsContact CB-ND1 3.33Å; S1155-H1160 WeakPolarHBondContact CB-ND1 3.31Å; S1155-H1160 PolarHBondContact OG-ND1 3.13Å |
| 1156 | N | 66 | Low | 74.1 | Confident | 142 Ų | 142 | 67.4 Ų | 67.4 | 76% | 0.759 | 37% | 0.366 | S | S | * | . | trans | 52.7 | 11.7 | -176.1 | -73.2 | -28.9 | 0 | 0 | 0 | 115.6 | V1153 S1154 | V1153-N1156 PolarHBondContact O-N 3.33Å; S1154-N1156 VanDerWaalsContact C-N 3.27Å; S1154-N1156 PolarHBondContact O-N 3.2Å | ||
| 1157 | N | 68.5 | Low | 73.3 | Confident | 64.6 Ų | 64.6 | 69.8 Ų | 69.8 | 35% | 0.345 | 38% | 0.379 | S | S | . | . | trans | -97.2 | 114.3 | 179.6 | -174.8 | -6.6 | 0 | 0 | 0 | 109.6 | S1155 N1159 H1160 | S1155-N1157 PolarHBondContact O-N 3.16Å; S1155-N1157 PolarHBondContact OG-N 3.28Å; N1157-N1159 PolarHBondContact O-N 3.05Å; N1157-N1159 VanDerWaalsContact O-N 3.13Å; N1157-N1159 WeakPolarHBondContact OD1-CB 3.37Å; N1157-N1159 PolarHBondContact OD1-N 3.38Å; N1157-N1159 VanDerWaalsContact OD1-N 3.08Å; N1157-H1160 HydrophobicContact CB-CB 4.35Å; N1157-H1160 PolarHBondContact ND2-CD2 3.43Å; N1157-H1160 VanDerWaalsContact ND2-CD2 3.34Å; N1157-H1160 PolarHBondContact ND2-NE2 3.08Å; N1157-H1160 WeakPolarHBondContact O-CB 3.36Å; N1157-H1160 PolarHBondContact O-N 3.05Å; N1157-H1160 VanDerWaalsContact O-N 3.08Å | ||
| 1158 | P | 60.5 | Low | 72.8 | Confident | 100.8 Ų | 100.8 | 67.2 Ų | 67.2 | 66% | 0.655 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20.2 | -179.6 | 26.6 | -34.7 | 0 | 0 | 0 | 113.1 | H1160 | P1158-H1160 VanDerWaalsContact C-N 3.33Š|
| 1159 | N | 63.8 | Low | 72.2 | Confident | 128.6 Ų | 128.6 | 65.9 Ų | 65.9 | 69% | 0.688 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -4.4 | 178.3 | -59.3 | -5.2 | 0 | 0 | 0 | 113 | N1157 M1161 | N1157-N1159 PolarHBondContact O-N 3.05Å; N1157-N1159 VanDerWaalsContact O-N 3.13Å; N1157-N1159 WeakPolarHBondContact OD1-CB 3.37Å; N1157-N1159 PolarHBondContact OD1-N 3.38Å; N1157-N1159 VanDerWaalsContact OD1-N 3.08Å; N1159-M1161 PolarHBondContact O-N 3.15Å |
| 1160 | H | 65.5 | Low | 71.6 | Confident | 81.4 Ų | 81.4 | 69.2 Ų | 69.2 | 38% | 0.377 | 37% | 0.371 | S | S | . | . | trans | -79.6 | 124.1 | 174.3 | -101.7 | -175.4 | 0 | 0 | 0 | 110.4 | V1152 S1155 N1157 P1158 | V1152-H1160 HydrophobicContact CG1-CB 4.14Å; V1152-H1160 WeakPolarHBondContact CG1-O 3.47Å; V1152-H1160 WeakPolarHBondContact CG2-ND1 3.29Å; S1155-H1160 VanDerWaalsContact CB-ND1 3.33Å; S1155-H1160 WeakPolarHBondContact CB-ND1 3.31Å; S1155-H1160 PolarHBondContact OG-ND1 3.13Å; N1157-H1160 HydrophobicContact CB-CB 4.35Å; N1157-H1160 PolarHBondContact ND2-CD2 3.43Å; N1157-H1160 VanDerWaalsContact ND2-CD2 3.34Å; N1157-H1160 PolarHBondContact ND2-NE2 3.08Å; N1157-H1160 WeakPolarHBondContact O-CB 3.36Å; N1157-H1160 PolarHBondContact O-N 3.05Å; N1157-H1160 VanDerWaalsContact O-N 3.08Å; P1158-H1160 VanDerWaalsContact C-N 3.33Å | ||
| 1161 | M | 68.7 | Low | 71.2 | Confident | 89.6 Ų | 89.6 | 65.4 Ų | 65.4 | 44% | 0.441 | 35% | 0.354 | S | S | . | . | trans | -120.1 | 137.5 | 179.6 | -74 | 177.5 | -8.3 | 0 | 0 | 110.4 | C1110 L1111 N1112 N1159 L1163 Q1266 D1267 | C1110-M1161 HydrophobicContact CB-CB 4.48Å; C1110-M1161 HydrophobicContact CB-CE 3.81Å; C1110-M1161 HydrophobicContact CB-SD 4.21Å; C1110-M1161 VanDerWaalsContact SG-CE 3.55Å; L1111-M1161 CarbonylContact O-C 3.56Å; L1111-M1161 WeakPolarHBondContact O-CA 3.33Å; N1112-M1161 HydrophobicContact CB-CE 4.32Å; N1112-M1161 HydrophobicContact CB-CG 3.97Å; N1112-M1161 HydrophobicContact CB-SD 4.03Å; N1159-M1161 PolarHBondContact O-N 3.15Å; M1161-L1163 HydrophobicContact CB-CD2 4.4Å; M1161-L1163 PolarHBondContact O-N 3.31Å; M1161-Q1266 HydrophobicContact CE-CB 3.77Å; M1161-D1267 WeakPolarHBondContact CE-OD2 3.18Å; M1161-D1267 HydrophobicContact SD-CB 4.28Å | ||
| 1162 | L | 72 | Confident | 70.9 | Confident | 7.6 Ų | 7.6 | 59.1 Ų | 59.1 | 4% | 0.04 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 115.9 | 171.1 | -176.8 | 67.6 | 0 | 0 | 0 | 109.8 | C1110 L1111 I1116 I1145 R1148 M1149 V1152 L1164 | C1110-L1162 CarbonylContact C-O 3.45Å; C1110-L1162 VanDerWaalsContact CA-O 3.27Å; C1110-L1162 WeakPolarHBondContact CA-O 3.35Å; C1110-L1162 WeakPolarHBondContact CB-O 3.34Å; C1110-L1162 VanDerWaalsContact SG-C 3.57Å; C1110-L1162 PolarHBondContact SG-O 2.85Å; L1111-L1162 HydrophobicContact CB-CB 4.46Å; L1111-L1162 HydrophobicContact CD1-CD2 3.99Å; L1111-L1162 PolarHBondContact N-O 3.16Å; L1111-L1162 PolarHBondContact O-N 3.08Å; I1116-L1162 HydrophobicContact CD1-CB 3.87Å; I1116-L1162 HydrophobicContact CD1-CD2 4.38Å; I1145-L1162 HydrophobicContact CG2-CD2 4.24Å; R1148-L1162 HydrophobicContact CB-CD1 3.64Å; R1148-L1162 HydrophobicContact CB-CD2 4.38Å; R1148-L1162 VanDerWaalsContact NH2-CD1 3.34Å; M1149-L1162 HydrophobicContact CB-CD2 4.35Å; M1149-L1162 HydrophobicContact CE-CD2 4.2Å; M1149-L1162 HydrophobicContact CG-CD2 3.37Å; M1149-L1162 VanDerWaalsContact CG-CD2 3.47Å; M1149-L1162 HydrophobicContact SD-CD2 4.38Å; V1152-L1162 HydrophobicContact CG2-CB 4.09Å; V1152-L1162 HydrophobicContact CG2-CD1 4.13Å; L1162-L1164 HydrophobicContact CD2-CD2 3.98Å; L1162-L1164 HydrophobicContact CD2-CG 4.41Å; L1162-L1164 HydrophobicContact CG-CD2 4.12Å; L1162-L1164 PolarHBondContact O-N 3.4Å |
| 1163 | L | 68.1 | Low | 70.8 | Confident | 95.2 Ų | 95.2 | 60.7 Ų | 60.7 | 50% | 0.498 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 121.1 | 172.6 | -94.4 | 132.9 | 0 | 0 | 0 | 110.2 | C1110 R1148 M1161 Q1266 L1315 | C1110-L1163 HydrophobicContact CB-CD1 4.19Å; C1110-L1163 HydrophobicContact CB-CD2 4.02Å; C1110-L1163 HydrophobicContact CB-CG 4.24Å; R1148-L1163 PolarHBondContact NH2-O 3.05Å; M1161-L1163 HydrophobicContact CB-CD2 4.4Å; M1161-L1163 PolarHBondContact O-N 3.31Å; L1163-Q1266 HydrophobicContact CD2-CB 3.91Å; L1163-L1315 HydrophobicContact CD1-CD2 3.61Å; L1163-L1315 VanDerWaalsContact CD1-CD2 3.44Å; L1163-L1315 HydrophobicContact CD2-CD2 3.6Å; L1163-L1315 HydrophobicContact CG-CD2 4.16Å |
| 1164 | L | 70.3 | Confident | 70.4 | Confident | 7.2 Ų | 7.2 | 61.6 Ų | 61.6 | 4% | 0.038 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -97.1 | 125.5 | 175.2 | -67.7 | 176.8 | 0 | 0 | 0 | 109.4 | L1105 L1108 S1109 L1111 I1145 L1162 D1168 R1169 I1172 Q1266 | L1105-L1164 HydrophobicContact CD2-CD1 3.75Å; L1108-L1164 WeakPolarHBondContact O-CD1 3.17Å; S1109-L1164 PolarHBondContact O-N 3.1Å; S1109-L1164 VanDerWaalsContact O-N 3.07Å; L1111-L1164 HydrophobicContact CD1-CD1 3.76Å; L1111-L1164 HydrophobicContact CD1-CG 4.22Å; L1111-L1164 HydrophobicContact CG-CD1 4.13Å; I1145-L1164 HydrophobicContact CB-CD2 4.44Å; I1145-L1164 HydrophobicContact CD1-CD2 3.83Å; I1145-L1164 HydrophobicContact CG1-CD2 3.84Å; I1145-L1164 HydrophobicContact CG2-CD2 4.11Å; L1162-L1164 HydrophobicContact CD2-CD2 3.98Å; L1162-L1164 HydrophobicContact CD2-CG 4.41Å; L1162-L1164 HydrophobicContact CG-CD2 4.12Å; L1162-L1164 PolarHBondContact O-N 3.4Å; L1164-D1168 HydrophobicContact CB-CB 4.34Å; L1164-D1168 HydrophobicContact CD2-CB 4.11Å; L1164-R1169 HydrophobicContact CB-CG 4.02Å; L1164-R1169 HydrophobicContact CD1-CG 4.02Å; L1164-I1172 HydrophobicContact CD1-CD1 3.89Å; L1164-I1172 HydrophobicContact CD2-CD1 4.39Å; L1164-Q1266 PolarHBondContact O-NE2 2.84Å |
| 1165 | S | 71.3 | Confident | 70 | Confident | 31.4 Ų | 31.4 | 57.5 Ų | 57.5 | 22% | 0.22 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 166.7 | 173.9 | 70.5 | 0 | 0 | 0 | 0 | 111.1 | N1167 D1168 R1169 E1322 | S1165-N1167 VanDerWaalsContact C-N 3.26Å; S1165-N1167 PolarHBondContact O-N 3.2Å; S1165-N1167 PolarHBondContact OG-N 3Å; S1165-D1168 WeakPolarHBondContact CB-OD2 3.39Å; S1165-D1168 PolarHBondContact N-OD2 3.11Å; S1165-D1168 VanDerWaalsContact N-OD2 3.14Å; S1165-D1168 PolarHBondContact O-N 3.03Å; S1165-D1168 VanDerWaalsContact O-N 3.15Å; S1165-D1168 PolarHBondContact OG-N 3.14Å; S1165-D1168 VanDerWaalsContact OG-N 3.12Å; S1165-D1168 PolarHBondContact OG-OD1 3.04Å; S1165-D1168 PolarHBondContact OG-OD2 3.16Å; S1165-R1169 WeakPolarHBondContact O-CG 3.41Å; S1165-R1169 PolarHBondContact O-N 3.06Å; S1165-R1169 VanDerWaalsContact O-N 3.11Å; S1165-R1169 PolarHBondContact O-NE 3.16Å; S1165-E1322 WeakPolarHBondContact CB-OE2 3.34Å; S1165-E1322 PolarHBondContact OG-OE2 2.71Å |
| 1166 | I | 66.1 | Low | 69.8 | Low | 88.6 Ų | 88.6 | 55.7 Ų | 55.7 | 45% | 0.454 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -55.2 | -43.3 | 171.1 | -64.3 | 173.3 | 0 | 0 | 0 | 110 | D1168 R1169 Q1170 L1192 I1194 F1264 | I1166-D1168 VanDerWaalsContact C-N 3.32Å; I1166-D1168 PolarHBondContact O-N 3.08Å; I1166-R1169 WeakPolarHBondContact O-CB 3.36Å; I1166-R1169 PolarHBondContact O-N 2.91Å; I1166-R1169 VanDerWaalsContact O-N 3.14Å; I1166-Q1170 WeakPolarHBondContact O-CB 3.32Å; I1166-Q1170 PolarHBondContact O-N 3.07Å; I1166-Q1170 VanDerWaalsContact O-N 3.07Å; I1166-L1192 HydrophobicContact CD1-CD2 4.41Å; I1166-L1192 HydrophobicContact CG2-CD2 3.52Å; I1166-L1192 HydrophobicContact CG2-CG 4.12Å; I1166-I1194 HydrophobicContact CD1-CG1 4.12Å; I1166-F1264 HydrophobicContact CD1-CD2 4.01Å; I1166-F1264 HydrophobicContact CD1-CE2 3.89Å; I1166-F1264 HydrophobicContact CD1-CZ 3.74Å; I1166-F1264 HydrophobicContact CG1-CE2 3.54Å; I1166-F1264 HydrophobicContact CG1-CZ 3.69Å |
| 1167 | N | 69.9 | Low | 69.8 | Low | 67.2 Ų | 67.2 | 52 Ų | 52 | 36% | 0.359 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.2 | -34.3 | -179.2 | -140.4 | 50 | 0 | 0 | 0 | 112.9 | R1141 S1165 R1169 Q1170 T1171 Q1326 | R1141-N1167 VanDerWaalsContact CZ-ND2 3.31Å; R1141-N1167 PolarHBondContact NE-ND2 2.71Å; R1141-N1167 PolarHBondContact NH1-ND2 2.82Å; R1141-N1167 PolarHBondContact NH2-ND2 2.89Å; S1165-N1167 VanDerWaalsContact C-N 3.26Å; S1165-N1167 PolarHBondContact O-N 3.2Å; S1165-N1167 PolarHBondContact OG-N 3Å; N1167-R1169 VanDerWaalsContact C-N 3.34Å; N1167-R1169 PolarHBondContact O-N 2.95Å; N1167-Q1170 CarbonylContact O-C 3.34Å; N1167-Q1170 WeakPolarHBondContact O-CB 3.26Å; N1167-Q1170 PolarHBondContact O-N 3.12Å; N1167-T1171 WeakPolarHBondContact O-CB 3.24Å; N1167-T1171 WeakPolarHBondContact O-CG2 3.47Å; N1167-T1171 PolarHBondContact O-N 3.16Å; N1167-T1171 PolarHBondContact O-OG1 3.02Å; N1167-Q1326 VanDerWaalsContact ND2-CD 3.28Å; N1167-Q1326 PolarHBondContact ND2-OE1 3.31Å |
| 1168 | D | 75.5 | Confident | 69.6 | Low | 6.6 Ų | 6.6 | 52 Ų | 52 | 4% | 0.035 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 174.8 | -65.3 | -40.6 | 0 | 0 | 0 | 110.9 | R1141 I1145 R1148 L1164 S1165 I1166 Q1170 T1171 I1172 | R1141-D1168 IonicContact CZ-OD1 2.94Å; R1141-D1168 IonicContact CZ-OD2 3.99Å; R1141-D1168 IonicContact NE-OD1 3.04Å; R1141-D1168 PolarHBondContact NE-OD1 2.97Å; R1141-D1168 IonicContact NH1-OD1 3.89Å; R1141-D1168 PolarHBondContact NH1-OD1 3.22Å; R1141-D1168 IonicContact NH2-OD1 3.25Å; R1141-D1168 PolarHBondContact NH2-OD1 2.99Å; R1141-D1168 IonicContact NH2-OD2 2.98Å; R1141-D1168 PolarHBondContact NH2-OD2 3.23Å; I1145-D1168 HydrophobicContact CD1-CB 3.91Å; I1145-D1168 WeakPolarHBondContact CD1-OD1 3.28Å; I1145-D1168 HydrophobicContact CG1-CB 4.12Å; I1145-D1168 WeakPolarHBondContact CG1-OD1 3.42Å; R1148-D1168 IonicContact CZ-OD2 2.84Å; R1148-D1168 IonicContact NH1-OD1 2.74Å; R1148-D1168 IonicContact NH1-OD2 3.16Å; R1148-D1168 PolarHBondContact NH1-OD2 2.97Å; R1148-D1168 IonicContact NH2-OD2 2.79Å; L1164-D1168 HydrophobicContact CB-CB 4.34Å; L1164-D1168 HydrophobicContact CD2-CB 4.11Å; S1165-D1168 WeakPolarHBondContact CB-OD2 3.39Å; S1165-D1168 PolarHBondContact N-OD2 3.11Å; S1165-D1168 VanDerWaalsContact N-OD2 3.14Å; S1165-D1168 PolarHBondContact O-N 3.03Å; S1165-D1168 VanDerWaalsContact O-N 3.15Å; S1165-D1168 PolarHBondContact OG-N 3.14Å; S1165-D1168 VanDerWaalsContact OG-N 3.12Å; S1165-D1168 PolarHBondContact OG-OD1 3.04Å; S1165-D1168 PolarHBondContact OG-OD2 3.16Å; I1166-D1168 VanDerWaalsContact C-N 3.32Å; I1166-D1168 PolarHBondContact O-N 3.08Å; D1168-Q1170 VanDerWaalsContact C-N 3.34Å; D1168-Q1170 PolarHBondContact O-N 3.44Å; D1168-T1171 WeakPolarHBondContact O-CB 3.48Å; D1168-T1171 PolarHBondContact O-N 3.14Å; D1168-T1171 PolarHBondContact O-OG1 3.17Å; D1168-I1172 WeakPolarHBondContact O-CB 3.39Å; D1168-I1172 VanDerWaalsContact O-CG1 3.28Å; D1168-I1172 WeakPolarHBondContact O-CG1 3.38Å; D1168-I1172 PolarHBondContact O-N 3.14Å |
| 1169 | R | 72.7 | Confident | 69.6 | Low | 47.6 Ų | 47.6 | 48.2 Ų | 48.2 | 18% | 0.18 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.1 | -40.1 | 176.5 | -65.1 | -175.3 | -68.3 | 150.8 | -0.9 | 111.9 | L1105 T1106 T1107 L1108 L1164 S1165 I1166 N1167 T1171 I1172 Y1173 S1263 | L1105-R1169 WeakPolarHBondContact O-CG 3.36Å; T1106-R1169 WeakPolarHBondContact O-CD 3.3Å; T1106-R1169 PolarHBondContact O-NH1 3.17Å; T1107-R1169 PolarHBondContact O-NH1 2.95Å; L1108-R1169 WeakPolarHBondContact O-CD 3.39Å; L1164-R1169 HydrophobicContact CB-CG 4.02Å; L1164-R1169 HydrophobicContact CD1-CG 4.02Å; S1165-R1169 WeakPolarHBondContact O-CG 3.41Å; S1165-R1169 PolarHBondContact O-N 3.06Å; S1165-R1169 VanDerWaalsContact O-N 3.11Å; S1165-R1169 PolarHBondContact O-NE 3.16Å; I1166-R1169 WeakPolarHBondContact O-CB 3.36Å; I1166-R1169 PolarHBondContact O-N 2.91Å; I1166-R1169 VanDerWaalsContact O-N 3.14Å; N1167-R1169 VanDerWaalsContact C-N 3.34Å; N1167-R1169 PolarHBondContact O-N 2.95Å; R1169-T1171 VanDerWaalsContact C-N 3.32Å; R1169-T1171 PolarHBondContact O-N 3.31Å; R1169-I1172 PolarHBondContact O-N 3.2Å; R1169-Y1173 WeakPolarHBondContact O-CB 3.41Å; R1169-Y1173 PolarHBondContact O-N 3.09Å; R1169-Y1173 VanDerWaalsContact O-N 3.08Å; R1169-S1263 PolarHBondContact NH1-OG 3.37Å |
| 1170 | Q | 71.1 | Confident | 69.2 | Low | 70.6 Ų | 70.6 | 45.3 Ų | 45.3 | 33% | 0.33 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.2 | -47.6 | 174.6 | -161.7 | 69 | 38.4 | 0 | 0 | 111.3 | I1166 N1167 D1168 I1172 Y1173 D1174 | I1166-Q1170 WeakPolarHBondContact O-CB 3.32Å; I1166-Q1170 PolarHBondContact O-N 3.07Å; I1166-Q1170 VanDerWaalsContact O-N 3.07Å; N1167-Q1170 CarbonylContact O-C 3.34Å; N1167-Q1170 WeakPolarHBondContact O-CB 3.26Å; N1167-Q1170 PolarHBondContact O-N 3.12Å; D1168-Q1170 VanDerWaalsContact C-N 3.34Å; D1168-Q1170 PolarHBondContact O-N 3.44Å; Q1170-I1172 VanDerWaalsContact C-N 3.32Å; Q1170-I1172 PolarHBondContact O-N 3.14Å; Q1170-Y1173 CarbonylContact O-C 3.53Å; Q1170-Y1173 WeakPolarHBondContact O-CA 3.17Å; Q1170-Y1173 WeakPolarHBondContact O-CB 3.25Å; Q1170-Y1173 PolarHBondContact O-N 3.19Å; Q1170-Y1173 VanDerWaalsContact O-N 3.11Å; Q1170-D1174 WeakPolarHBondContact CG-OD2 3.48Å; Q1170-D1174 VanDerWaalsContact NE2-CG 3.26Å; Q1170-D1174 PolarHBondContact NE2-OD1 2.95Å; Q1170-D1174 PolarHBondContact NE2-OD2 3.1Å; Q1170-D1174 WeakPolarHBondContact O-CB 3.13Å; Q1170-D1174 VanDerWaalsContact O-CG 3.26Å; Q1170-D1174 PolarHBondContact O-N 3.08Å |
| 1171 | T | 75 | Confident | 68.6 | Low | 15.8 Ų | 15.8 | 45.3 Ų | 45.3 | 10% | 0.097 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.8 | -36.2 | 178.1 | -20 | 0 | 0 | 0 | 0 | 112.7 | L1138 R1141 L1142 I1145 N1167 D1168 R1169 Y1173 G1175 | L1138-T1171 HydrophobicContact CD2-CG2 4.36Å; L1138-T1171 HydrophobicContact CG-CG2 4.28Å; R1141-T1171 HydrophobicContact CB-CG2 3.91Å; R1141-T1171 WeakPolarHBondContact CD-OG1 3.39Å; R1141-T1171 HydrophobicContact CG-CG2 3.84Å; R1141-T1171 WeakPolarHBondContact CG-OG1 3.34Å; R1141-T1171 PolarHBondContact NE-OG1 3.5Å; R1141-T1171 VanDerWaalsContact NE-OG1 3.08Å; L1142-T1171 HydrophobicContact CB-CG2 4.35Å; L1142-T1171 HydrophobicContact CD2-CG2 4.04Å; L1142-T1171 HydrophobicContact CG-CG2 4.03Å; I1145-T1171 HydrophobicContact CD1-CG2 4.23Å; N1167-T1171 WeakPolarHBondContact O-CB 3.24Å; N1167-T1171 WeakPolarHBondContact O-CG2 3.47Å; N1167-T1171 PolarHBondContact O-N 3.16Å; N1167-T1171 PolarHBondContact O-OG1 3.02Å; D1168-T1171 WeakPolarHBondContact O-CB 3.48Å; D1168-T1171 PolarHBondContact O-N 3.14Å; D1168-T1171 PolarHBondContact O-OG1 3.17Å; R1169-T1171 VanDerWaalsContact C-N 3.32Å; R1169-T1171 PolarHBondContact O-N 3.31Å; T1171-Y1173 VanDerWaalsContact C-N 3.32Å; T1171-G1175 WeakPolarHBondContact O-CA 3.29Å; T1171-G1175 PolarHBondContact O-N 3.05Å; T1171-G1175 VanDerWaalsContact O-N 3.11Å |
| 1172 | I | 74.5 | Confident | 67.8 | Low | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.5 | -46 | 172.6 | -66.3 | 165.9 | 0 | 0 | 0 | 110.4 | L1102 L1105 T1106 L1138 L1142 I1145 M1149 L1164 D1168 R1169 Q1170 G1175 L1176 | L1102-I1172 HydrophobicContact CD2-CG2 4.25Å; L1105-I1172 HydrophobicContact CB-CD1 3.91Å; L1105-I1172 HydrophobicContact CB-CG2 4.36Å; L1105-I1172 HydrophobicContact CD1-CG2 4.02Å; L1105-I1172 HydrophobicContact CD2-CD1 4.43Å; T1106-I1172 HydrophobicContact CG2-CB 4.12Å; T1106-I1172 HydrophobicContact CG2-CG2 3.68Å; T1106-I1172 VanDerWaalsContact CG2-CG2 3.49Å; L1138-I1172 HydrophobicContact CD1-CB 4.27Å; L1138-I1172 HydrophobicContact CD1-CG1 4.19Å; L1138-I1172 HydrophobicContact CD1-CG2 4.34Å; L1142-I1172 HydrophobicContact CD1-CG1 4.26Å; L1142-I1172 HydrophobicContact CD2-CD1 4.05Å; L1142-I1172 HydrophobicContact CD2-CG1 4.27Å; I1145-I1172 HydrophobicContact CD1-CD1 3.7Å; I1145-I1172 HydrophobicContact CD1-CG1 4.29Å; I1145-I1172 HydrophobicContact CG2-CD1 4.13Å; I1145-I1172 HydrophobicContact CG2-CG1 4.39Å; M1149-I1172 HydrophobicContact CE-CD1 4.4Å; L1164-I1172 HydrophobicContact CD1-CD1 3.89Å; L1164-I1172 HydrophobicContact CD2-CD1 4.39Å; D1168-I1172 WeakPolarHBondContact O-CB 3.39Å; D1168-I1172 VanDerWaalsContact O-CG1 3.28Å; D1168-I1172 WeakPolarHBondContact O-CG1 3.38Å; D1168-I1172 PolarHBondContact O-N 3.14Å; R1169-I1172 PolarHBondContact O-N 3.2Å; Q1170-I1172 VanDerWaalsContact C-N 3.32Å; Q1170-I1172 PolarHBondContact O-N 3.14Å; I1172-G1175 PolarHBondContact O-N 3.14Å; I1172-L1176 HydrophobicContact CG2-CD1 3.93Å; I1172-L1176 HydrophobicContact CG2-CG 4.4Å; I1172-L1176 WeakPolarHBondContact O-CB 3.35Å; I1172-L1176 WeakPolarHBondContact O-CD1 3.21Å; I1172-L1176 VanDerWaalsContact O-CG 3.27Å; I1172-L1176 WeakPolarHBondContact O-CG 3.2Å; I1172-L1176 PolarHBondContact O-N 3.25Å; I1172-L1176 VanDerWaalsContact O-N 3.11Å |
| 1173 | Y | 73.8 | Confident | 66.5 | Low | 49.2 Ų | 49.2 | 46.9 Ų | 46.9 | 19% | 0.193 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -49.6 | 179.2 | -179.1 | -92.4 | 0 | 0 | 0 | 112.5 | L794 L1102 T1106 R1169 Q1170 T1171 G1175 L1176 L1177 S1187 Q1188 T1189 P1190 | L794-Y1173 HydrophobicContact CD2-CE2 3.85Å; L1102-Y1173 HydrophobicContact CD2-CD2 4.14Å; T1106-Y1173 HydrophobicContact CG2-CD2 4.16Å; R1169-Y1173 WeakPolarHBondContact O-CB 3.41Å; R1169-Y1173 PolarHBondContact O-N 3.09Å; R1169-Y1173 VanDerWaalsContact O-N 3.08Å; Q1170-Y1173 CarbonylContact O-C 3.53Å; Q1170-Y1173 WeakPolarHBondContact O-CA 3.17Å; Q1170-Y1173 WeakPolarHBondContact O-CB 3.25Å; Q1170-Y1173 PolarHBondContact O-N 3.19Å; Q1170-Y1173 VanDerWaalsContact O-N 3.11Å; T1171-Y1173 VanDerWaalsContact C-N 3.32Å; Y1173-G1175 VanDerWaalsContact C-N 3.28Å; Y1173-G1175 PolarHBondContact O-N 3.25Å; Y1173-L1176 WeakPolarHBondContact O-CB 3.39Å; Y1173-L1176 PolarHBondContact O-N 2.87Å; Y1173-L1176 VanDerWaalsContact O-N 3.16Å; Y1173-L1177 HydrophobicContact CD1-CD1 4.2Å; Y1173-L1177 HydrophobicContact CE1-CD1 3.71Å; Y1173-L1177 HydrophobicContact CE1-CD2 4.34Å; Y1173-L1177 HydrophobicContact CE1-CG 4.28Å; Y1173-L1177 VanDerWaalsContact O-CB 3.31Å; Y1173-L1177 WeakPolarHBondContact O-CB 3.35Å; Y1173-L1177 PolarHBondContact O-N 3.22Å; Y1173-S1187 PolarHBondContact OH-O 3.08Å; Y1173-S1187 PolarHBondContact OH-OG 2.99Å; Y1173-S1187 VanDerWaalsContact OH-OG 3.12Å; Y1173-Q1188 WeakPolarHBondContact CE2-O 3.37Å; Y1173-T1189 HydrophobicContact CD1-CG2 4.33Å; Y1173-T1189 HydrophobicContact CE1-CG2 3.54Å; Y1173-T1189 VanDerWaalsContact CE1-CG2 3.47Å; Y1173-T1189 PolarHBondContact OH-N 3Å; Y1173-P1190 HydrophobicContact CD1-CG 4.4Å; Y1173-P1190 VanDerWaalsContact CD2-CD 3.44Å; Y1173-P1190 HydrophobicContact CD2-CG 4.33Å; Y1173-P1190 VanDerWaalsContact CG-CD 3.41Å; Y1173-P1190 HydrophobicContact CG-CG 4.03Å |
| 1174 | D | 71.5 | Confident | 65.3 | Low | 62.4 Ų | 62.4 | 49.8 Ų | 49.8 | 33% | 0.334 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.4 | -36.5 | 179.7 | -64.8 | -25.6 | 0 | 0 | 0 | 111.2 | L1138 Q1170 L1177 T1178 | L1138-D1174 HydrophobicContact CD1-CB 3.85Å; Q1170-D1174 WeakPolarHBondContact CG-OD2 3.48Å; Q1170-D1174 VanDerWaalsContact NE2-CG 3.26Å; Q1170-D1174 PolarHBondContact NE2-OD1 2.95Å; Q1170-D1174 PolarHBondContact NE2-OD2 3.1Å; Q1170-D1174 WeakPolarHBondContact O-CB 3.13Å; Q1170-D1174 VanDerWaalsContact O-CG 3.26Å; Q1170-D1174 PolarHBondContact O-N 3.08Å; D1174-L1177 PolarHBondContact O-N 3.38Å; D1174-T1178 VanDerWaalsContact O-CB 3.28Å; D1174-T1178 WeakPolarHBondContact O-CB 3.33Å; D1174-T1178 PolarHBondContact O-N 2.86Å; D1174-T1178 PolarHBondContact O-OG1 3.21Å |
| 1175 | G | 71.1 | Confident | 63.6 | Low | 1.8 Ų | 1.8 | 56.6 Ų | 56.6 | 2% | 0.019 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1126 N1135 T1171 I1172 Y1173 L1177 T1178 I1179 | L1126-G1175 VanDerWaalsContact CD2-C 3.49Å; L1126-G1175 WeakPolarHBondContact CD2-O 3.44Å; N1135-G1175 WeakPolarHBondContact ND2-CA 3.16Å; N1135-G1175 PolarHBondContact ND2-O 2.65Å; T1171-G1175 WeakPolarHBondContact O-CA 3.29Å; T1171-G1175 PolarHBondContact O-N 3.05Å; T1171-G1175 VanDerWaalsContact O-N 3.11Å; I1172-G1175 PolarHBondContact O-N 3.14Å; Y1173-G1175 VanDerWaalsContact C-N 3.28Å; Y1173-G1175 PolarHBondContact O-N 3.25Å; G1175-L1177 VanDerWaalsContact C-N 3.32Å; G1175-L1177 PolarHBondContact O-N 2.72Å; G1175-T1178 WeakPolarHBondContact O-CB 3.33Å; G1175-T1178 PolarHBondContact O-N 3.08Å; G1175-T1178 VanDerWaalsContact O-N 3.17Å; G1175-I1179 WeakPolarHBondContact O-CD1 3.43Å; G1175-I1179 VanDerWaalsContact O-CG1 3.29Å; G1175-I1179 WeakPolarHBondContact O-CG1 3.21Å; G1175-I1179 PolarHBondContact O-N 3.15Å; G1175-I1179 VanDerWaalsContact O-N 3.13Å |
| 1176 | L | 69.5 | Low | 61.9 | Low | 9.4 Ų | 9.4 | 60.9 Ų | 60.9 | 5% | 0.049 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 176.4 | -76 | 165.6 | 0 | 0 | 0 | 112.1 | L1099 L1102 T1106 R1122 L1126 I1172 Y1173 T1178 I1179 S1180 L1181 V1182 | L1099-L1176 HydrophobicContact CD1-CD2 3.9Å; L1102-L1176 HydrophobicContact CB-CD1 4.24Å; L1102-L1176 HydrophobicContact CB-CD2 4.3Å; L1102-L1176 HydrophobicContact CD1-CB 4.03Å; L1102-L1176 HydrophobicContact CD1-CD2 4.08Å; L1102-L1176 HydrophobicContact CD2-CB 3.95Å; L1102-L1176 HydrophobicContact CD2-CD1 3.86Å; L1102-L1176 VanDerWaalsContact CD2-CD1 3.49Å; L1102-L1176 HydrophobicContact CD2-CD2 4.33Å; L1102-L1176 HydrophobicContact CD2-CG 4.3Å; L1102-L1176 HydrophobicContact CG-CB 4.11Å; L1102-L1176 HydrophobicContact CG-CD1 3.7Å; L1102-L1176 HydrophobicContact CG-CG 4.41Å; T1106-L1176 HydrophobicContact CG2-CD1 4.17Å; R1122-L1176 HydrophobicContact CG-CD2 4.08Å; L1126-L1176 HydrophobicContact CD1-CD1 4.29Å; L1126-L1176 HydrophobicContact CD1-CD2 3.89Å; L1126-L1176 HydrophobicContact CD1-CG 4.09Å; L1126-L1176 HydrophobicContact CD2-CD2 3.93Å; L1126-L1176 HydrophobicContact CD2-CG 3.91Å; L1126-L1176 HydrophobicContact CG-CD2 4.01Å; L1126-L1176 HydrophobicContact CG-CG 4.35Å; I1172-L1176 HydrophobicContact CG2-CD1 3.93Å; I1172-L1176 HydrophobicContact CG2-CG 4.4Å; I1172-L1176 WeakPolarHBondContact O-CB 3.35Å; I1172-L1176 WeakPolarHBondContact O-CD1 3.21Å; I1172-L1176 VanDerWaalsContact O-CG 3.27Å; I1172-L1176 WeakPolarHBondContact O-CG 3.2Å; I1172-L1176 PolarHBondContact O-N 3.25Å; I1172-L1176 VanDerWaalsContact O-N 3.11Å; Y1173-L1176 WeakPolarHBondContact O-CB 3.39Å; Y1173-L1176 PolarHBondContact O-N 2.87Å; Y1173-L1176 VanDerWaalsContact O-N 3.16Å; L1176-T1178 VanDerWaalsContact C-N 3.31Å; L1176-T1178 PolarHBondContact O-N 3.33Å; L1176-I1179 PolarHBondContact O-N 3.2Å; L1176-S1180 WeakPolarHBondContact O-CB 3.42Å; L1176-S1180 PolarHBondContact O-N 3.11Å; L1176-S1180 PolarHBondContact O-OG 2.96Å; L1176-S1180 VanDerWaalsContact O-OG 3.07Å; L1176-L1181 HydrophobicContact CD2-CB 4.08Å; L1176-L1181 HydrophobicContact CD2-CD1 4.06Å; L1176-L1181 PolarHBondContact O-N 2.83Å; L1176-L1181 VanDerWaalsContact O-N 3.15Å; L1176-V1182 HydrophobicContact CB-CG2 3.88Å; L1176-V1182 HydrophobicContact CD1-CG2 4.23Å; L1176-V1182 HydrophobicContact CD2-CG2 4.29Å; L1176-V1182 HydrophobicContact CG-CG2 4.39Å |
| 1177 | L | 67.3 | Low | 60.4 | Low | 63.2 Ų | 63.2 | 59.3 Ų | 59.3 | 33% | 0.331 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 175.3 | -151.1 | 110 | 0 | 0 | 0 | 111.1 | Y1173 D1174 G1175 I1179 S1180 L1181 K1184 | Y1173-L1177 HydrophobicContact CD1-CD1 4.2Å; Y1173-L1177 HydrophobicContact CE1-CD1 3.71Å; Y1173-L1177 HydrophobicContact CE1-CD2 4.34Å; Y1173-L1177 HydrophobicContact CE1-CG 4.28Å; Y1173-L1177 VanDerWaalsContact O-CB 3.31Å; Y1173-L1177 WeakPolarHBondContact O-CB 3.35Å; Y1173-L1177 PolarHBondContact O-N 3.22Å; D1174-L1177 PolarHBondContact O-N 3.38Å; G1175-L1177 VanDerWaalsContact C-N 3.32Å; G1175-L1177 PolarHBondContact O-N 2.72Å; L1177-I1179 VanDerWaalsContact C-N 3.34Å; L1177-I1179 PolarHBondContact O-N 3.14Å; L1177-S1180 CarbonylContact O-C 3.58Å; L1177-S1180 WeakPolarHBondContact O-CA 3.46Å; L1177-S1180 PolarHBondContact O-N 3.05Å; L1177-S1180 VanDerWaalsContact O-N 3.15Å; L1177-L1181 HydrophobicContact CG-CD1 4.2Å; L1177-L1181 VanDerWaalsContact O-CG 3.28Å; L1177-L1181 WeakPolarHBondContact O-CG 3.31Å; L1177-L1181 PolarHBondContact O-N 3.17Å; L1177-K1184 HydrophobicContact CD1-CG 4.32Å; L1177-K1184 HydrophobicContact CD2-CB 3.74Å; L1177-K1184 HydrophobicContact CD2-CD 4.32Å; L1177-K1184 HydrophobicContact CD2-CG 4.06Å |
| 1178 | T | 64 | Low | 58.6 | Low | 64.4 Ų | 64.4 | 63.5 Ų | 63.5 | 40% | 0.395 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.2 | -36.4 | 178 | -55.1 | 0 | 0 | 0 | 0 | 112.2 | V1131 L1132 D1174 G1175 L1176 S1180 L1181 V1182 | V1131-T1178 HydrophobicContact CG1-CG2 3.89Å; L1132-T1178 HydrophobicContact CD2-CG2 3.94Å; L1132-T1178 HydrophobicContact CG-CG2 4.17Å; D1174-T1178 VanDerWaalsContact O-CB 3.28Å; D1174-T1178 WeakPolarHBondContact O-CB 3.33Å; D1174-T1178 PolarHBondContact O-N 2.86Å; D1174-T1178 PolarHBondContact O-OG1 3.21Å; G1175-T1178 WeakPolarHBondContact O-CB 3.33Å; G1175-T1178 PolarHBondContact O-N 3.08Å; G1175-T1178 VanDerWaalsContact O-N 3.17Å; L1176-T1178 VanDerWaalsContact C-N 3.31Å; L1176-T1178 PolarHBondContact O-N 3.33Å; T1178-S1180 VanDerWaalsContact C-N 3.33Å; T1178-S1180 PolarHBondContact O-N 3.16Å; T1178-L1181 PolarHBondContact O-N 2.96Å; T1178-V1182 WeakPolarHBondContact O-CG2 3.34Å; T1178-V1182 PolarHBondContact O-N 3.11Å |
| 1179 | I | 60.4 | Low | 56.6 | Low | 22.4 Ų | 22.4 | 68 Ų | 68 | 12% | 0.115 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -73.9 | -27.6 | 173.1 | -67.6 | 175.8 | 0 | 0 | 0 | 111.5 | L1126 T1129 V1131 L1132 N1135 L1138 G1175 L1176 L1177 L1181 V1182 E1183 | L1126-I1179 HydrophobicContact CB-CD1 4.31Å; L1126-I1179 HydrophobicContact CD2-CB 4.28Å; L1126-I1179 HydrophobicContact CD2-CD1 3.41Å; L1126-I1179 VanDerWaalsContact CD2-CD1 3.43Å; L1126-I1179 HydrophobicContact CD2-CG1 3.83Å; L1126-I1179 HydrophobicContact CG-CD1 3.72Å; L1126-I1179 VanDerWaalsContact CG-CD1 3.48Å; L1126-I1179 HydrophobicContact CG-CG1 4.39Å; T1129-I1179 HydrophobicContact CG2-CD1 3.93Å; T1129-I1179 HydrophobicContact CG2-CG1 4.26Å; T1129-I1179 WeakPolarHBondContact OG1-CD1 3.5Å; V1131-I1179 HydrophobicContact CG1-CG2 4.15Å; L1132-I1179 HydrophobicContact CD1-CG1 4.45Å; L1132-I1179 HydrophobicContact CD2-CD1 4.09Å; L1132-I1179 HydrophobicContact CD2-CG1 4.17Å; L1132-I1179 HydrophobicContact CG-CG1 4.46Å; N1135-I1179 HydrophobicContact CB-CD1 3.78Å; N1135-I1179 HydrophobicContact CB-CG1 3.9Å; L1138-I1179 HydrophobicContact CD2-CD1 3.51Å; L1138-I1179 VanDerWaalsContact CD2-CD1 3.49Å; G1175-I1179 WeakPolarHBondContact O-CD1 3.43Å; G1175-I1179 VanDerWaalsContact O-CG1 3.29Å; G1175-I1179 WeakPolarHBondContact O-CG1 3.21Å; G1175-I1179 PolarHBondContact O-N 3.15Å; G1175-I1179 VanDerWaalsContact O-N 3.13Å; L1176-I1179 PolarHBondContact O-N 3.2Å; L1177-I1179 VanDerWaalsContact C-N 3.34Å; L1177-I1179 PolarHBondContact O-N 3.14Å; I1179-L1181 HydrophobicContact CB-CD1 4.06Å; I1179-L1181 HydrophobicContact CB-CG 4.19Å; I1179-L1181 HydrophobicContact CD1-CD1 4.4Å; I1179-L1181 HydrophobicContact CG2-CD1 3.8Å; I1179-L1181 HydrophobicContact CG2-CG 3.89Å; I1179-L1181 PolarHBondContact O-N 3.2Å; I1179-L1181 VanDerWaalsContact O-N 3.17Å; I1179-V1182 CarbonylContact O-C 3.57Å; I1179-V1182 WeakPolarHBondContact O-CA 3.09Å; I1179-V1182 PolarHBondContact O-N 3.12Å; I1179-E1183 HydrophobicContact CG2-CG 4.21Å; I1179-E1183 PolarHBondContact O-N 3.24Å; I1179-E1183 VanDerWaalsContact O-N 3.08Å |
| 1180 | S | 55.2 | Low | 54.6 | Low | 66.2 Ų | 66.2 | 69.1 Ų | 69.1 | 46% | 0.463 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -21.5 | -2.3 | -177.3 | -54 | 0 | 0 | 0 | 0 | 113 | L1176 L1177 T1178 V1182 K1184 | L1176-S1180 WeakPolarHBondContact O-CB 3.42Å; L1176-S1180 PolarHBondContact O-N 3.11Å; L1176-S1180 PolarHBondContact O-OG 2.96Å; L1176-S1180 VanDerWaalsContact O-OG 3.07Å; L1177-S1180 CarbonylContact O-C 3.58Å; L1177-S1180 WeakPolarHBondContact O-CA 3.46Å; L1177-S1180 PolarHBondContact O-N 3.05Å; L1177-S1180 VanDerWaalsContact O-N 3.15Å; T1178-S1180 VanDerWaalsContact C-N 3.33Å; T1178-S1180 PolarHBondContact O-N 3.16Å; S1180-V1182 VanDerWaalsContact C-N 3.31Å; S1180-K1184 WeakPolarHBondContact O-CG 3.23Å |
| 1181 | L | 52.9 | Low | 52.7 | Low | 82.4 Ų | 82.4 | 70 Ų | 70 | 43% | 0.431 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -77.7 | -34 | 170.8 | -72.8 | 167.7 | 0 | 0 | 0 | 111.8 | I1084 L1099 L1176 L1177 T1178 I1179 E1183 K1184 E1185 | I1084-L1181 HydrophobicContact CD1-CD2 3.57Å; L1099-L1181 HydrophobicContact CD1-CB 3.94Å; L1099-L1181 WeakPolarHBondContact CD1-O 3.34Å; L1099-L1181 VanDerWaalsContact CD2-O 3.3Å; L1099-L1181 WeakPolarHBondContact CD2-O 3.48Å; L1176-L1181 HydrophobicContact CD2-CB 4.08Å; L1176-L1181 HydrophobicContact CD2-CD1 4.06Å; L1176-L1181 PolarHBondContact O-N 2.83Å; L1176-L1181 VanDerWaalsContact O-N 3.15Å; L1177-L1181 HydrophobicContact CG-CD1 4.2Å; L1177-L1181 VanDerWaalsContact O-CG 3.28Å; L1177-L1181 WeakPolarHBondContact O-CG 3.31Å; L1177-L1181 PolarHBondContact O-N 3.17Å; T1178-L1181 PolarHBondContact O-N 2.96Å; I1179-L1181 HydrophobicContact CB-CD1 4.06Å; I1179-L1181 HydrophobicContact CB-CG 4.19Å; I1179-L1181 HydrophobicContact CD1-CD1 4.4Å; I1179-L1181 HydrophobicContact CG2-CD1 3.8Å; I1179-L1181 HydrophobicContact CG2-CG 3.89Å; I1179-L1181 PolarHBondContact O-N 3.2Å; I1179-L1181 VanDerWaalsContact O-N 3.17Å; L1181-E1183 VanDerWaalsContact C-N 3.34Å; L1181-E1183 PolarHBondContact O-N 3.15Å; L1181-K1184 CarbonylContact O-C 3.57Å; L1181-K1184 VanDerWaalsContact O-CA 3.24Å; L1181-K1184 WeakPolarHBondContact O-CA 3.15Å; L1181-K1184 VanDerWaalsContact O-CB 3.32Å; L1181-K1184 WeakPolarHBondContact O-CB 3.23Å; L1181-K1184 PolarHBondContact O-N 3.1Å; L1181-E1185 VanDerWaalsContact O-CG 3.26Å; L1181-E1185 WeakPolarHBondContact O-CG 3.38Å; L1181-E1185 PolarHBondContact O-N 3.12Å |
| 1182 | V | 51.6 | Low | 50.5 | Low | 31 Ų | 31 | 73.3 Ų | 73.3 | 19% | 0.188 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -96.7 | -10.6 | -177.4 | 179 | 0 | 0 | 0 | 0 | 111.5 | L1099 V1131 L1176 T1178 I1179 S1180 K1184 E1185 T1186 S1187 | L1099-V1182 HydrophobicContact CD1-CG2 3.86Å; L1099-V1182 HydrophobicContact CD2-CG2 4.34Å; L1099-V1182 HydrophobicContact CG-CG2 4.28Å; V1131-V1182 HydrophobicContact CB-CG2 4Å; V1131-V1182 HydrophobicContact CG1-CB 3.83Å; V1131-V1182 HydrophobicContact CG1-CG1 4.21Å; V1131-V1182 HydrophobicContact CG1-CG2 3.87Å; V1131-V1182 HydrophobicContact CG2-CB 3.96Å; V1131-V1182 HydrophobicContact CG2-CG1 3.63Å; V1131-V1182 HydrophobicContact CG2-CG2 3.73Å; L1176-V1182 HydrophobicContact CB-CG2 3.88Å; L1176-V1182 HydrophobicContact CD1-CG2 4.23Å; L1176-V1182 HydrophobicContact CD2-CG2 4.29Å; L1176-V1182 HydrophobicContact CG-CG2 4.39Å; T1178-V1182 WeakPolarHBondContact O-CG2 3.34Å; T1178-V1182 PolarHBondContact O-N 3.11Å; I1179-V1182 CarbonylContact O-C 3.57Å; I1179-V1182 WeakPolarHBondContact O-CA 3.09Å; I1179-V1182 PolarHBondContact O-N 3.12Å; S1180-V1182 VanDerWaalsContact C-N 3.31Å; V1182-K1184 VanDerWaalsContact C-N 3.26Å; V1182-K1184 PolarHBondContact O-N 2.78Å; V1182-K1184 VanDerWaalsContact O-N 3.12Å; V1182-E1185 HydrophobicContact CG1-CG 4.5Å; V1182-E1185 CarbonylContact O-C 3.54Å; V1182-E1185 WeakPolarHBondContact O-CB 3.27Å; V1182-E1185 PolarHBondContact O-N 3.15Å; V1182-E1185 VanDerWaalsContact O-N 3.12Å; V1182-T1186 PolarHBondContact O-N 3.5Å; V1182-T1186 PolarHBondContact O-OG1 2.78Å; V1182-S1187 WeakPolarHBondContact CG1-OG 3.23Å |
| 1183 | E | 43.9 | Very low | 48.4 | Very low | 99.6 Ų | 99.6 | 78.6 Ų | 78.6 | 47% | 0.465 | 42% | 0.42 | S | S | . | . | trans | -71.3 | 10.7 | 174 | -72.5 | -174.2 | 145.5 | 0 | 0 | 112 | K1080 Y1082 R1122 I1179 L1181 E1185 T1186 S1187 | K1080-E1183 WeakPolarHBondContact CD-OE1 3.21Å; K1080-E1183 IonicContact NZ-OE1 3.27Å; K1080-E1183 PolarHBondContact NZ-OE1 3.39Å; K1080-E1183 IonicContact NZ-OE2 2.87Å; K1080-E1183 PolarHBondContact NZ-OE2 3.27Å; Y1082-E1183 HydrophobicContact CE2-CG 4.19Å; Y1082-E1183 PolarHBondContact OH-OE1 3.03Å; R1122-E1183 IonicContact CZ-OE1 2.75Å; R1122-E1183 IonicContact NH1-OE1 2.98Å; R1122-E1183 PolarHBondContact NH1-OE1 2.93Å; R1122-E1183 IonicContact NH2-OE1 3.66Å; R1122-E1183 PolarHBondContact NH2-OE1 3.21Å; R1122-E1183 IonicContact NH2-OE2 3.62Å; R1122-E1183 PolarHBondContact NH2-OE2 2.94Å; I1179-E1183 HydrophobicContact CG2-CG 4.21Å; I1179-E1183 PolarHBondContact O-N 3.24Å; I1179-E1183 VanDerWaalsContact O-N 3.08Å; L1181-E1183 VanDerWaalsContact C-N 3.34Å; L1181-E1183 PolarHBondContact O-N 3.15Å; E1183-E1185 VanDerWaalsContact C-N 3.34Å; E1183-E1185 PolarHBondContact O-N 3.41Å; E1183-T1186 WeakPolarHBondContact CA-OG1 3.37Å; E1183-T1186 WeakPolarHBondContact CB-OG1 3.48Å; E1183-T1186 PolarHBondContact O-N 3.15Å; E1183-T1186 VanDerWaalsContact O-N 3.12Å; E1183-T1186 PolarHBondContact O-OG1 3.1Å; E1183-S1187 PolarHBondContact O-N 2.99Å; E1183-S1187 PolarHBondContact O-OG 3.32Å | ||
| 1184 | K | 43.1 | Very low | 46.4 | Very low | 155.8 Ų | 155.8 | 79.2 Ų | 79.2 | 68% | 0.677 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -18.2 | 176.1 | -106.2 | -177.3 | 179.2 | -176.9 | 0 | 114.1 | L1177 S1180 L1181 V1182 T1186 S1187 Q1188 | L1177-K1184 HydrophobicContact CD1-CG 4.32Å; L1177-K1184 HydrophobicContact CD2-CB 3.74Å; L1177-K1184 HydrophobicContact CD2-CD 4.32Å; L1177-K1184 HydrophobicContact CD2-CG 4.06Å; S1180-K1184 WeakPolarHBondContact O-CG 3.23Å; L1181-K1184 CarbonylContact O-C 3.57Å; L1181-K1184 VanDerWaalsContact O-CA 3.24Å; L1181-K1184 WeakPolarHBondContact O-CA 3.15Å; L1181-K1184 VanDerWaalsContact O-CB 3.32Å; L1181-K1184 WeakPolarHBondContact O-CB 3.23Å; L1181-K1184 PolarHBondContact O-N 3.1Å; V1182-K1184 VanDerWaalsContact C-N 3.26Å; V1182-K1184 PolarHBondContact O-N 2.78Å; V1182-K1184 VanDerWaalsContact O-N 3.12Å; K1184-T1186 VanDerWaalsContact C-N 3.27Å; K1184-T1186 PolarHBondContact O-N 3.28Å; K1184-S1187 WeakPolarHBondContact CA-OG 3.44Å; K1184-S1187 CarbonylContact O-C 3.6Å; K1184-S1187 VanDerWaalsContact O-CA 3.3Å; K1184-S1187 WeakPolarHBondContact O-CA 3.26Å; K1184-S1187 PolarHBondContact O-N 2.99Å; K1184-S1187 PolarHBondContact O-OG 3.13Å; K1184-S1187 VanDerWaalsContact O-OG 3.13Å; K1184-Q1188 PolarHBondContact O-N 2.95Å |
| 1185 | E | 36.2 | Very low | 44.8 | Very low | 150.2 Ų | 150.2 | 78.1 Ų | 78.1 | 70% | 0.702 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -19.4 | 179.9 | -64.5 | -171.5 | 157.5 | 0 | 0 | 113.4 | L1181 V1182 E1183 S1187 Q1188 | L1181-E1185 VanDerWaalsContact O-CG 3.26Å; L1181-E1185 WeakPolarHBondContact O-CG 3.38Å; L1181-E1185 PolarHBondContact O-N 3.12Å; V1182-E1185 HydrophobicContact CG1-CG 4.5Å; V1182-E1185 CarbonylContact O-C 3.54Å; V1182-E1185 WeakPolarHBondContact O-CB 3.27Å; V1182-E1185 PolarHBondContact O-N 3.15Å; V1182-E1185 VanDerWaalsContact O-N 3.12Å; E1183-E1185 VanDerWaalsContact C-N 3.34Å; E1183-E1185 PolarHBondContact O-N 3.41Å; E1185-S1187 PolarHBondContact O-N 2.91Å; E1185-S1187 VanDerWaalsContact O-N 3.12Å; E1185-Q1188 HydrophobicContact CB-CG 4.35Å; E1185-Q1188 HydrophobicContact CG-CG 4.42Å; E1185-Q1188 WeakPolarHBondContact O-CB 3.38Å; E1185-Q1188 PolarHBondContact O-N 3.23Å; E1185-Q1188 PolarHBondContact OE1-NE2 3.43Å |
| 1186 | T | 34.6 | Very low | 43.4 | Very low | 122 Ų | 122 | 80.7 Ų | 80.7 | 75% | 0.748 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -7.4 | 176.6 | 56.6 | 0 | 0 | 0 | 0 | 113.9 | V1182 E1183 K1184 | V1182-T1186 PolarHBondContact O-N 3.5Å; V1182-T1186 PolarHBondContact O-OG1 2.78Å; E1183-T1186 WeakPolarHBondContact CA-OG1 3.37Å; E1183-T1186 WeakPolarHBondContact CB-OG1 3.48Å; E1183-T1186 PolarHBondContact O-N 3.15Å; E1183-T1186 VanDerWaalsContact O-N 3.12Å; E1183-T1186 PolarHBondContact O-OG1 3.1Å; K1184-T1186 VanDerWaalsContact C-N 3.27Å; K1184-T1186 PolarHBondContact O-N 3.28Å |
| 1187 | S | 34.1 | Very low | 42.3 | Very low | 55.4 Ų | 55.4 | 82 Ų | 82 | 39% | 0.387 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -105.7 | 110.3 | 171 | 59.1 | 0 | 0 | 0 | 0 | 111.6 | Y1173 V1182 E1183 K1184 E1185 T1189 | Y1173-S1187 PolarHBondContact OH-O 3.08Å; Y1173-S1187 PolarHBondContact OH-OG 2.99Å; Y1173-S1187 VanDerWaalsContact OH-OG 3.12Å; V1182-S1187 WeakPolarHBondContact CG1-OG 3.23Å; E1183-S1187 PolarHBondContact O-N 2.99Å; E1183-S1187 PolarHBondContact O-OG 3.32Å; K1184-S1187 WeakPolarHBondContact CA-OG 3.44Å; K1184-S1187 CarbonylContact O-C 3.6Å; K1184-S1187 VanDerWaalsContact O-CA 3.3Å; K1184-S1187 WeakPolarHBondContact O-CA 3.26Å; K1184-S1187 PolarHBondContact O-N 2.99Å; K1184-S1187 PolarHBondContact O-OG 3.13Å; K1184-S1187 VanDerWaalsContact O-OG 3.13Å; E1185-S1187 PolarHBondContact O-N 2.91Å; E1185-S1187 VanDerWaalsContact O-N 3.12Å; S1187-T1189 PolarHBondContact O-N 3.1Å |
| 1188 | Q | 33.6 | Very low | 41.4 | Very low | 153.6 Ų | 153.6 | 82.1 Ų | 82.1 | 72% | 0.718 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -46.9 | 128.4 | 167.8 | -75.3 | 175.9 | -22.5 | 0 | 0 | 110.8 | Y1173 K1184 E1185 P1190 | Y1173-Q1188 WeakPolarHBondContact CE2-O 3.37Å; K1184-Q1188 PolarHBondContact O-N 2.95Å; E1185-Q1188 HydrophobicContact CB-CG 4.35Å; E1185-Q1188 HydrophobicContact CG-CG 4.42Å; E1185-Q1188 WeakPolarHBondContact O-CB 3.38Å; E1185-Q1188 PolarHBondContact O-N 3.23Å; E1185-Q1188 PolarHBondContact OE1-NE2 3.43Å; Q1188-P1190 WeakPolarHBondContact O-CA 3.45Å; Q1188-P1190 WeakPolarHBondContact O-CD 3.32Å |
| 1189 | T | 31.5 | Very low | 40.9 | Very low | 101.4 Ų | 101.4 | 83.8 Ų | 83.8 | 62% | 0.622 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -42.8 | 127.3 | 158.7 | 34 | 0 | 0 | 0 | 0 | 109.1 | Y1173 S1187 V1191 | Y1173-T1189 HydrophobicContact CD1-CG2 4.33Å; Y1173-T1189 HydrophobicContact CE1-CG2 3.54Å; Y1173-T1189 VanDerWaalsContact CE1-CG2 3.47Å; Y1173-T1189 PolarHBondContact OH-N 3Å; S1187-T1189 PolarHBondContact O-N 3.1Å; T1189-V1191 VanDerWaalsContact C-N 3.34Å; T1189-V1191 PolarHBondContact O-N 2.84Å |
| 1190 | P | 31.5 | Very low | 40.6 | Very low | 71.4 Ų | 71.4 | 83.6 Ų | 83.6 | 46% | 0.464 | 45% | 0.449 | S | S | . | . | trans | -61 | 110.5 | -172.9 | 23.8 | -33.6 | 0 | 0 | 0 | 108.6 | T1106 Y1173 Q1188 L1192 K1261 | T1106-P1190 WeakPolarHBondContact O-CB 3.28Å; Y1173-P1190 HydrophobicContact CD1-CG 4.4Å; Y1173-P1190 VanDerWaalsContact CD2-CD 3.44Å; Y1173-P1190 HydrophobicContact CD2-CG 4.33Å; Y1173-P1190 VanDerWaalsContact CG-CD 3.41Å; Y1173-P1190 HydrophobicContact CG-CG 4.03Å; Q1188-P1190 WeakPolarHBondContact O-CA 3.45Å; Q1188-P1190 WeakPolarHBondContact O-CD 3.32Å; P1190-L1192 VanDerWaalsContact C-N 3.34Å; P1190-L1192 PolarHBondContact O-N 3.11Å; P1190-L1192 VanDerWaalsContact O-N 3.07Å; P1190-K1261 HydrophobicContact CB-CD 3.89Å; P1190-K1261 HydrophobicContact CG-CD 3.68Å; P1190-K1261 PolarHBondContact O-NZ 3.09Å | ||
| 1191 | V | 30.8 | Very low | 40.5 | Very low | 89.8 Ų | 89.8 | 82.6 Ų | 82.6 | 54% | 0.544 | 44% | 0.44 | S | S | . | . | trans | -64.7 | 114.8 | -179.3 | -178.9 | 0 | 0 | 0 | 0 | 107 | T1189 H1193 K1261 | T1189-V1191 VanDerWaalsContact C-N 3.34Å; T1189-V1191 PolarHBondContact O-N 2.84Å; V1191-H1193 HydrophobicContact CG1-CB 4.29Å; V1191-H1193 VanDerWaalsContact CG1-CD2 3.45Å; V1191-H1193 WeakPolarHBondContact CG1-CD2 3.36Å; V1191-H1193 PolarHBondContact O-N 3.15Å; V1191-K1261 VanDerWaalsContact O-CE 3.28Å; V1191-K1261 WeakPolarHBondContact O-CE 3.45Å; V1191-K1261 PolarHBondContact O-NZ 2.84Å | ||
| 1192 | L | 28.8 | Very low | 40.6 | Very low | 84.8 Ų | 84.8 | 84.4 Ų | 84.4 | 44% | 0.444 | 44% | 0.444 | S | S | . | . | trans | -62.3 | 87.9 | 173.4 | -99.1 | 145 | 0 | 0 | 0 | 109.3 | I1166 P1190 I1194 K1261 | I1166-L1192 HydrophobicContact CD1-CD2 4.41Å; I1166-L1192 HydrophobicContact CG2-CD2 3.52Å; I1166-L1192 HydrophobicContact CG2-CG 4.12Å; P1190-L1192 VanDerWaalsContact C-N 3.34Å; P1190-L1192 PolarHBondContact O-N 3.11Å; P1190-L1192 VanDerWaalsContact O-N 3.07Å; L1192-I1194 HydrophobicContact CB-CD1 4.39Å; L1192-I1194 HydrophobicContact CB-CG1 3.95Å; L1192-I1194 HydrophobicContact CD2-CD1 4.47Å; L1192-I1194 HydrophobicContact CD2-CG1 3.94Å; L1192-I1194 PolarHBondContact O-N 3.08Å; L1192-K1261 VanDerWaalsContact CA-NZ 3.28Å | ||
| 1193 | H | 30.3 | Very low | 40.8 | Very low | 113.2 Ų | 113.2 | 83.8 Ų | 83.8 | 52% | 0.524 | 44% | 0.441 | S | S | . | . | trans | -77.3 | 69.6 | 164 | -110.7 | -64.1 | 0 | 0 | 0 | 108.9 | V1191 W1195 K1261 | V1191-H1193 HydrophobicContact CG1-CB 4.29Å; V1191-H1193 VanDerWaalsContact CG1-CD2 3.45Å; V1191-H1193 WeakPolarHBondContact CG1-CD2 3.36Å; V1191-H1193 PolarHBondContact O-N 3.15Å; H1193-W1195 PolarHBondContact O-N 3Å; H1193-K1261 HydrophobicContact CB-CB 4.15Å; H1193-K1261 WeakPolarHBondContact CB-O 3.17Å; H1193-K1261 WeakPolarHBondContact CD2-CG 3.34Å; H1193-K1261 WeakPolarHBondContact NE2-CD 3.38Å; H1193-K1261 PolarHBondContact NE2-NZ 2.95Å | ||
| 1194 | I | 33.6 | Very low | 41.5 | Very low | 63.8 Ų | 63.8 | 79.4 Ų | 79.4 | 33% | 0.327 | 42% | 0.42 | S | S | . | . | trans | -50.5 | 125.6 | 157 | -56 | 169.5 | 0 | 0 | 0 | 105.8 | I1166 L1192 S1196 | I1166-I1194 HydrophobicContact CD1-CG1 4.12Å; L1192-I1194 HydrophobicContact CB-CD1 4.39Å; L1192-I1194 HydrophobicContact CB-CG1 3.95Å; L1192-I1194 HydrophobicContact CD2-CD1 4.47Å; L1192-I1194 HydrophobicContact CD2-CG1 3.94Å; L1192-I1194 PolarHBondContact O-N 3.08Å; I1194-S1196 VanDerWaalsContact C-N 3.32Å; I1194-S1196 PolarHBondContact O-N 3.08Å | ||
| 1195 | W | 38 | Very low | 42.3 | Very low | 39.2 Ų | 39.2 | 75.8 Ų | 75.8 | 15% | 0.148 | 41% | 0.408 | C | S | . | . | trans | -61.1 | 106.6 | 166.9 | -103.8 | 40.1 | 0 | 0 | 0 | 106.6 | H1193 D1197 K1199 L1200 T1203 E1251 I1255 I1256 D1259 T1262 F1265 | H1193-W1195 PolarHBondContact O-N 3Å; W1195-D1197 VanDerWaalsContact O-CA 3.28Å; W1195-D1197 WeakPolarHBondContact O-CA 3.48Å; W1195-D1197 PolarHBondContact O-N 3.08Å; W1195-D1197 VanDerWaalsContact O-N 3.08Å; W1195-K1199 HydrophobicContact CD2-CB 3.95Å; W1195-K1199 HydrophobicContact CD2-CD 3.74Å; W1195-K1199 HydrophobicContact CE3-CB 3.96Å; W1195-K1199 HydrophobicContact CE3-CD 4.28Å; W1195-K1199 HydrophobicContact CG-CD 4.19Å; W1195-K1199 HydrophobicContact CH2-CB 4.21Å; W1195-K1199 HydrophobicContact CH2-CD 4.18Å; W1195-K1199 HydrophobicContact CZ2-CB 4.43Å; W1195-K1199 HydrophobicContact CZ2-CD 3.62Å; W1195-K1199 HydrophobicContact CZ3-CB 4.16Å; W1195-K1199 HydrophobicContact CZ3-CD 4.5Å; W1195-L1200 HydrophobicContact CB-CB 4.26Å; W1195-L1200 HydrophobicContact CD2-CD1 4.29Å; W1195-L1200 HydrophobicContact CE3-CB 3.92Å; W1195-L1200 HydrophobicContact CE3-CD1 3.84Å; W1195-L1200 HydrophobicContact CE3-CD2 4.43Å; W1195-L1200 HydrophobicContact CE3-CG 4.24Å; W1195-L1200 HydrophobicContact CH2-CD1 4.3Å; W1195-L1200 HydrophobicContact CZ3-CB 4.15Å; W1195-L1200 HydrophobicContact CZ3-CD1 3.69Å; W1195-L1200 HydrophobicContact CZ3-CG 4.38Å; W1195-T1203 HydrophobicContact CZ3-CG2 4.44Å; W1195-E1251 HydrophobicContact CH2-CB 4.48Å; W1195-E1251 HydrophobicContact CZ2-CB 4.29Å; W1195-E1251 WeakPolarHBondContact CZ2-OE2 3.18Å; W1195-I1255 HydrophobicContact CD2-CD1 3.6Å; W1195-I1255 HydrophobicContact CE3-CD1 3.95Å; W1195-I1255 HydrophobicContact CG-CD1 4.27Å; W1195-I1255 HydrophobicContact CH2-CD1 3.6Å; W1195-I1255 HydrophobicContact CH2-CG2 4.14Å; W1195-I1255 HydrophobicContact CZ2-CD1 3.19Å; W1195-I1255 HydrophobicContact CZ2-CG1 4.45Å; W1195-I1255 HydrophobicContact CZ2-CG2 3.64Å; W1195-I1255 HydrophobicContact CZ3-CD1 3.94Å; W1195-I1256 HydrophobicContact CH2-CG1 4Å; W1195-I1256 HydrophobicContact CZ2-CG1 3.89Å; W1195-D1259 PolarHBondContact NE1-OD2 2.82Å; W1195-T1262 HydrophobicContact CH2-CG2 4.31Å; W1195-T1262 HydrophobicContact CZ2-CG2 3.47Å; W1195-T1262 VanDerWaalsContact NE1-CG2 3.31Å; W1195-F1265 HydrophobicContact CE3-CE2 4.39Å; W1195-F1265 HydrophobicContact CH2-CD2 4.09Å; W1195-F1265 AromaticContact CH2-CE2 3.7Å; W1195-F1265 HydrophobicContact CH2-CE2 3.7Å; W1195-F1265 HydrophobicContact CH2-CZ 4.17Å; W1195-F1265 HydrophobicContact CZ2-CD2 4.11Å; W1195-F1265 HydrophobicContact CZ2-CE2 4.26Å; W1195-F1265 AromaticContact CZ3-CE2 3.76Å; W1195-F1265 HydrophobicContact CZ3-CE2 3.76Å; W1195-F1265 AromaticContact CZ3-CZ 3.72Å; W1195-F1265 HydrophobicContact CZ3-CZ 3.72Å | ||
| 1196 | S | 41 | Very low | 43.4 | Very low | 56 Ų | 56 | 71.8 Ų | 71.8 | 39% | 0.392 | 39% | 0.391 | S | S | . | . | trans | -47 | 121.5 | 179.9 | 59.2 | 0 | 0 | 0 | 0 | 108.5 | I1194 S1198 K1199 | I1194-S1196 VanDerWaalsContact C-N 3.32Å; I1194-S1196 PolarHBondContact O-N 3.08Å; S1196-S1198 CarbonylContact O-C 3.29Å; S1196-S1198 WeakPolarHBondContact O-CA 3.09Å; S1196-S1198 PolarHBondContact O-N 3.11Å; S1196-S1198 PolarHBondContact OG-OG 3.37Å; S1196-K1199 WeakPolarHBondContact O-CB 3.43Å; S1196-K1199 PolarHBondContact O-N 3.16Å | ||
| 1197 | D | 46.4 | Very low | 44.5 | Very low | 37 Ų | 37 | 66.2 Ų | 66.2 | 20% | 0.198 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -48.1 | -35.5 | -166 | -67.5 | -47.8 | 0 | 0 | 0 | 112.1 | W1195 K1199 L1200 T1201 D1346 T1349 | W1195-D1197 VanDerWaalsContact O-CA 3.28Å; W1195-D1197 WeakPolarHBondContact O-CA 3.48Å; W1195-D1197 PolarHBondContact O-N 3.08Å; W1195-D1197 VanDerWaalsContact O-N 3.08Å; D1197-K1199 VanDerWaalsContact C-N 3.25Å; D1197-K1199 PolarHBondContact O-N 3.01Å; D1197-K1199 VanDerWaalsContact O-N 3.12Å; D1197-L1200 PolarHBondContact O-N 2.99Å; D1197-L1200 VanDerWaalsContact O-N 3.15Å; D1197-T1201 VanDerWaalsContact O-CB 3.27Å; D1197-T1201 WeakPolarHBondContact O-CB 3.34Å; D1197-T1201 PolarHBondContact O-N 3.16Å; D1197-T1201 PolarHBondContact O-OG1 2.94Å; D1197-T1201 VanDerWaalsContact O-OG1 3.06Å; D1197-D1346 WeakPolarHBondContact OD2-CA 3.19Å; D1197-T1349 HydrophobicContact CB-CG2 4.39Å; D1197-T1349 VanDerWaalsContact OD1-CG2 3.28Å; D1197-T1349 WeakPolarHBondContact OD1-CG2 3.41Å; D1197-T1349 PolarHBondContact OD1-OG1 3.2Å; D1197-T1349 VanDerWaalsContact OD2-CB 3.31Å; D1197-T1349 WeakPolarHBondContact OD2-CB 3.27Å; D1197-T1349 WeakPolarHBondContact OD2-CG2 3.19Å; D1197-T1349 PolarHBondContact OD2-OG1 3.05Å |
| 1198 | S | 48.6 | Very low | 45.8 | Very low | 64.4 Ų | 64.4 | 65.7 Ų | 65.7 | 45% | 0.45 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -49 | -26.1 | 172 | 82 | 0 | 0 | 0 | 0 | 116.2 | S1196 K1202 | S1196-S1198 CarbonylContact O-C 3.29Å; S1196-S1198 WeakPolarHBondContact O-CA 3.09Å; S1196-S1198 PolarHBondContact O-N 3.11Å; S1196-S1198 PolarHBondContact OG-OG 3.37Å; S1198-K1202 VanDerWaalsContact O-CB 3.29Å; S1198-K1202 WeakPolarHBondContact O-CB 3.39Å; S1198-K1202 WeakPolarHBondContact O-CD 3.3Å; S1198-K1202 VanDerWaalsContact O-CE 3.25Å; S1198-K1202 WeakPolarHBondContact O-CE 3.3Å; S1198-K1202 WeakPolarHBondContact O-CG 3.31Å; S1198-K1202 PolarHBondContact O-N 3.25Å; S1198-K1202 PolarHBondContact O-NZ 2.93Å; S1198-K1202 PolarHBondContact OG-NZ 3.22Å |
| 1199 | K | 52.6 | Low | 47.2 | Very low | 99.8 Ų | 99.8 | 63.5 Ų | 63.5 | 43% | 0.434 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -86.4 | -48.8 | 177 | -77 | -173.8 | 177.2 | -177.5 | 0 | 111.8 | W1195 S1196 D1197 T1201 K1202 T1203 E1251 | W1195-K1199 HydrophobicContact CD2-CB 3.95Å; W1195-K1199 HydrophobicContact CD2-CD 3.74Å; W1195-K1199 HydrophobicContact CE3-CB 3.96Å; W1195-K1199 HydrophobicContact CE3-CD 4.28Å; W1195-K1199 HydrophobicContact CG-CD 4.19Å; W1195-K1199 HydrophobicContact CH2-CB 4.21Å; W1195-K1199 HydrophobicContact CH2-CD 4.18Å; W1195-K1199 HydrophobicContact CZ2-CB 4.43Å; W1195-K1199 HydrophobicContact CZ2-CD 3.62Å; W1195-K1199 HydrophobicContact CZ3-CB 4.16Å; W1195-K1199 HydrophobicContact CZ3-CD 4.5Å; S1196-K1199 WeakPolarHBondContact O-CB 3.43Å; S1196-K1199 PolarHBondContact O-N 3.16Å; D1197-K1199 VanDerWaalsContact C-N 3.25Å; D1197-K1199 PolarHBondContact O-N 3.01Å; D1197-K1199 VanDerWaalsContact O-N 3.12Å; K1199-T1201 VanDerWaalsContact C-N 3.32Å; K1199-T1201 PolarHBondContact O-N 2.97Å; K1199-K1202 PolarHBondContact O-N 2.82Å; K1199-T1203 WeakPolarHBondContact O-CB 3.26Å; K1199-T1203 PolarHBondContact O-N 3.14Å; K1199-T1203 PolarHBondContact O-OG1 3.23Å; K1199-T1203 VanDerWaalsContact O-OG1 3.07Å; K1199-E1251 IonicContact NZ-OE2 3.69Å |
| 1200 | L | 54 | Low | 48.4 | Very low | 17.8 Ų | 17.8 | 59.2 Ų | 59.2 | 9% | 0.093 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 179.3 | -155 | 73.7 | 0 | 0 | 0 | 110.9 | W1195 D1197 K1202 T1203 L1204 F1265 N1312 L1315 I1316 | W1195-L1200 HydrophobicContact CB-CB 4.26Å; W1195-L1200 HydrophobicContact CD2-CD1 4.29Å; W1195-L1200 HydrophobicContact CE3-CB 3.92Å; W1195-L1200 HydrophobicContact CE3-CD1 3.84Å; W1195-L1200 HydrophobicContact CE3-CD2 4.43Å; W1195-L1200 HydrophobicContact CE3-CG 4.24Å; W1195-L1200 HydrophobicContact CH2-CD1 4.3Å; W1195-L1200 HydrophobicContact CZ3-CB 4.15Å; W1195-L1200 HydrophobicContact CZ3-CD1 3.69Å; W1195-L1200 HydrophobicContact CZ3-CG 4.38Å; D1197-L1200 PolarHBondContact O-N 2.99Å; D1197-L1200 VanDerWaalsContact O-N 3.15Å; L1200-K1202 PolarHBondContact O-N 3.01Å; L1200-T1203 WeakPolarHBondContact O-CB 3.4Å; L1200-T1203 PolarHBondContact O-N 3.1Å; L1200-L1204 HydrophobicContact CD1-CD1 4.05Å; L1200-L1204 HydrophobicContact CD1-CG 4.45Å; L1200-L1204 HydrophobicContact CG-CD1 4.21Å; L1200-L1204 WeakPolarHBondContact O-CB 3.31Å; L1200-L1204 PolarHBondContact O-N 3.07Å; L1200-F1265 HydrophobicContact CD1-CE2 4.01Å; L1200-F1265 HydrophobicContact CD1-CZ 4.08Å; L1200-N1312 WeakPolarHBondContact CD1-OD1 3.09Å; L1200-N1312 PolarHBondContact O-ND2 2.96Å; L1200-L1315 HydrophobicContact CD1-CB 3.96Å; L1200-L1315 HydrophobicContact CD1-CD1 4.47Å; L1200-L1315 HydrophobicContact CD2-CB 4.31Å; L1200-L1315 HydrophobicContact CD2-CD1 4.34Å; L1200-I1316 HydrophobicContact CB-CD1 4.33Å; L1200-I1316 HydrophobicContact CB-CG1 4.34Å; L1200-I1316 HydrophobicContact CD2-CB 4.14Å; L1200-I1316 HydrophobicContact CD2-CD1 3.88Å; L1200-I1316 HydrophobicContact CD2-CG1 3.86Å; L1200-I1316 HydrophobicContact CG-CD1 4.17Å; L1200-I1316 HydrophobicContact CG-CG1 3.47Å; L1200-I1316 VanDerWaalsContact CG-CG1 3.47Å |
| 1201 | T | 53.2 | Low | 49.8 | Very low | 46 Ų | 46 | 58.2 Ų | 58.2 | 28% | 0.282 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 176 | -44.1 | 0 | 0 | 0 | 0 | 111.8 | D1197 K1199 T1203 L1204 N1205 | D1197-T1201 VanDerWaalsContact O-CB 3.27Å; D1197-T1201 WeakPolarHBondContact O-CB 3.34Å; D1197-T1201 PolarHBondContact O-N 3.16Å; D1197-T1201 PolarHBondContact O-OG1 2.94Å; D1197-T1201 VanDerWaalsContact O-OG1 3.06Å; K1199-T1201 VanDerWaalsContact C-N 3.32Å; K1199-T1201 PolarHBondContact O-N 2.97Å; T1201-T1203 VanDerWaalsContact C-N 3.33Å; T1201-T1203 PolarHBondContact O-N 2.96Å; T1201-L1204 WeakPolarHBondContact O-CB 3.47Å; T1201-L1204 PolarHBondContact O-N 3.05Å; T1201-N1205 VanDerWaalsContact O-CB 3.26Å; T1201-N1205 WeakPolarHBondContact O-CB 3.42Å; T1201-N1205 VanDerWaalsContact O-CG 3.26Å; T1201-N1205 PolarHBondContact O-N 3.1Å; T1201-N1205 PolarHBondContact O-ND2 3.42Å; T1201-N1205 PolarHBondContact O-OD1 2.99Å; T1201-N1205 VanDerWaalsContact O-OD1 3.07Å |
| 1202 | K | 56.3 | Low | 51.2 | Low | 120.6 Ų | 120.6 | 57.1 Ų | 57.1 | 52% | 0.524 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 172.1 | -82.2 | 179.3 | -170.1 | 166.1 | 0 | 112 | E932 V933 S1198 K1199 L1200 L1204 N1205 I1206 | E932-K1202 HydrophobicContact CG-CD 4.05Å; E932-K1202 HydrophobicContact CG-CG 4.17Å; E932-K1202 WeakPolarHBondContact OE1-CB 3.17Å; E932-K1202 WeakPolarHBondContact OE1-CD 3.28Å; E932-K1202 WeakPolarHBondContact OE1-CG 3.22Å; V933-K1202 PolarHBondContact O-NZ 2.95Å; S1198-K1202 VanDerWaalsContact O-CB 3.29Å; S1198-K1202 WeakPolarHBondContact O-CB 3.39Å; S1198-K1202 WeakPolarHBondContact O-CD 3.3Å; S1198-K1202 VanDerWaalsContact O-CE 3.25Å; S1198-K1202 WeakPolarHBondContact O-CE 3.3Å; S1198-K1202 WeakPolarHBondContact O-CG 3.31Å; S1198-K1202 PolarHBondContact O-N 3.25Å; S1198-K1202 PolarHBondContact O-NZ 2.93Å; S1198-K1202 PolarHBondContact OG-NZ 3.22Å; K1199-K1202 PolarHBondContact O-N 2.82Å; L1200-K1202 PolarHBondContact O-N 3.01Å; K1202-L1204 VanDerWaalsContact C-N 3.28Å; K1202-L1204 PolarHBondContact O-N 3.18Å; K1202-N1205 PolarHBondContact O-N 2.93Å; K1202-N1205 VanDerWaalsContact O-N 3.14Å; K1202-I1206 WeakPolarHBondContact O-CB 3.42Å; K1202-I1206 WeakPolarHBondContact O-CD1 3.4Å; K1202-I1206 VanDerWaalsContact O-CG1 3.26Å; K1202-I1206 WeakPolarHBondContact O-CG1 3.37Å; K1202-I1206 PolarHBondContact O-N 3.14Å |
| 1203 | T | 54.2 | Low | 52.7 | Low | 18.2 Ų | 18.2 | 56.1 Ų | 56.1 | 11% | 0.112 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 177.3 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | W1195 K1199 L1200 T1201 I1206 L1207 T1248 I1252 | W1195-T1203 HydrophobicContact CZ3-CG2 4.44Å; K1199-T1203 WeakPolarHBondContact O-CB 3.26Å; K1199-T1203 PolarHBondContact O-N 3.14Å; K1199-T1203 PolarHBondContact O-OG1 3.23Å; K1199-T1203 VanDerWaalsContact O-OG1 3.07Å; L1200-T1203 WeakPolarHBondContact O-CB 3.4Å; L1200-T1203 PolarHBondContact O-N 3.1Å; T1201-T1203 VanDerWaalsContact C-N 3.33Å; T1201-T1203 PolarHBondContact O-N 2.96Å; T1203-I1206 PolarHBondContact O-N 3.2Å; T1203-L1207 HydrophobicContact CG2-CD1 4.18Å; T1203-L1207 WeakPolarHBondContact O-CD1 3.28Å; T1203-L1207 VanDerWaalsContact O-CG 3.31Å; T1203-L1207 WeakPolarHBondContact O-CG 3.33Å; T1203-L1207 PolarHBondContact O-N 2.98Å; T1203-L1207 VanDerWaalsContact O-N 3.08Å; T1203-T1248 HydrophobicContact CG2-CG2 3.59Å; T1203-T1248 VanDerWaalsContact OG1-CG2 3.31Å; T1203-T1248 WeakPolarHBondContact OG1-CG2 3.4Å; T1203-I1252 HydrophobicContact CG2-CD1 3.86Å; T1203-I1252 HydrophobicContact CG2-CG1 4.04Å; T1203-I1252 HydrophobicContact CG2-CG2 4.17Å |
| 1204 | L | 58.3 | Low | 53.9 | Low | 6.2 Ų | 6.2 | 51 Ų | 51 | 3% | 0.032 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 175 | -117.4 | 130.4 | 0 | 0 | 0 | 112 | L1200 T1201 K1202 I1206 L1207 Q1208 I1309 N1312 H1313 I1316 L1353 | L1200-L1204 HydrophobicContact CD1-CD1 4.05Å; L1200-L1204 HydrophobicContact CD1-CG 4.45Å; L1200-L1204 HydrophobicContact CG-CD1 4.21Å; L1200-L1204 WeakPolarHBondContact O-CB 3.31Å; L1200-L1204 PolarHBondContact O-N 3.07Å; T1201-L1204 WeakPolarHBondContact O-CB 3.47Å; T1201-L1204 PolarHBondContact O-N 3.05Å; K1202-L1204 VanDerWaalsContact C-N 3.28Å; K1202-L1204 PolarHBondContact O-N 3.18Å; L1204-I1206 VanDerWaalsContact C-N 3.31Å; L1204-I1206 PolarHBondContact O-N 3.05Å; L1204-L1207 PolarHBondContact O-N 3.09Å; L1204-L1207 VanDerWaalsContact O-N 3.14Å; L1204-Q1208 HydrophobicContact CD1-CG 4.12Å; L1204-Q1208 HydrophobicContact CG-CG 4.41Å; L1204-Q1208 WeakPolarHBondContact O-CB 3.24Å; L1204-Q1208 VanDerWaalsContact O-CG 3.32Å; L1204-Q1208 WeakPolarHBondContact O-CG 3.37Å; L1204-Q1208 PolarHBondContact O-N 3.21Å; L1204-I1309 HydrophobicContact CD1-CG2 4.08Å; L1204-I1309 HydrophobicContact CD2-CG2 4.24Å; L1204-N1312 WeakPolarHBondContact CA-ND2 3.33Å; L1204-N1312 VanDerWaalsContact CB-ND2 3.34Å; L1204-N1312 WeakPolarHBondContact CB-ND2 3.45Å; L1204-N1312 HydrophobicContact CD1-CB 3.63Å; L1204-N1312 HydrophobicContact CD2-CB 3.94Å; L1204-N1312 PolarHBondContact N-ND2 3.15Å; L1204-H1313 VanDerWaalsContact CD1-CD2 3.46Å; L1204-H1313 WeakPolarHBondContact CD1-CD2 3.42Å; L1204-H1313 WeakPolarHBondContact CD1-NE2 3.46Å; L1204-I1316 HydrophobicContact CD1-CD1 3.96Å; L1204-I1316 HydrophobicContact CD2-CD1 3.99Å; L1204-L1353 HydrophobicContact CD2-CD2 3.82Å |
| 1205 | N | 60.9 | Low | 55 | Low | 80.6 Ų | 80.6 | 51.8 Ų | 51.8 | 43% | 0.431 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.5 | -35.8 | -180 | -67 | 5.8 | 0 | 0 | 0 | 112 | T1201 K1202 H1209 | T1201-N1205 VanDerWaalsContact O-CB 3.26Å; T1201-N1205 WeakPolarHBondContact O-CB 3.42Å; T1201-N1205 VanDerWaalsContact O-CG 3.26Å; T1201-N1205 PolarHBondContact O-N 3.1Å; T1201-N1205 PolarHBondContact O-ND2 3.42Å; T1201-N1205 PolarHBondContact O-OD1 2.99Å; T1201-N1205 VanDerWaalsContact O-OD1 3.07Å; K1202-N1205 PolarHBondContact O-N 2.93Å; K1202-N1205 VanDerWaalsContact O-N 3.14Å; N1205-H1209 VanDerWaalsContact O-CB 3.24Å; N1205-H1209 WeakPolarHBondContact O-CB 3.41Å; N1205-H1209 PolarHBondContact O-N 3.16Å |
| 1206 | I | 59.2 | Low | 55.8 | Low | 66 Ų | 66 | 52.7 Ų | 52.7 | 34% | 0.338 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.3 | -44.6 | 173.7 | -66.4 | 162.7 | 0 | 0 | 0 | 110.8 | E932 K1202 T1203 L1204 H1209 A1210 T1248 I1252 | E932-I1206 VanDerWaalsContact OE1-CD1 3.31Å; E932-I1206 WeakPolarHBondContact OE1-CD1 3.22Å; E932-I1206 WeakPolarHBondContact OE1-CG1 3.48Å; E932-I1206 WeakPolarHBondContact OE2-CG1 3.33Å; K1202-I1206 WeakPolarHBondContact O-CB 3.42Å; K1202-I1206 WeakPolarHBondContact O-CD1 3.4Å; K1202-I1206 VanDerWaalsContact O-CG1 3.26Å; K1202-I1206 WeakPolarHBondContact O-CG1 3.37Å; K1202-I1206 PolarHBondContact O-N 3.14Å; T1203-I1206 PolarHBondContact O-N 3.2Å; L1204-I1206 VanDerWaalsContact C-N 3.31Å; L1204-I1206 PolarHBondContact O-N 3.05Å; I1206-H1209 PolarHBondContact O-N 3.14Å; I1206-A1210 VanDerWaalsContact O-CB 3.24Å; I1206-A1210 WeakPolarHBondContact O-CB 3.31Å; I1206-A1210 PolarHBondContact O-N 3.08Å; I1206-T1248 HydrophobicContact CB-CG2 4.39Å; I1206-T1248 HydrophobicContact CD1-CG2 3.9Å; I1206-T1248 HydrophobicContact CG2-CG2 3.6Å; I1206-I1252 HydrophobicContact CB-CD1 4.16Å; I1206-I1252 HydrophobicContact CG2-CD1 3.9Å |
| 1207 | L | 57.4 | Low | 56.3 | Low | 4.8 Ų | 4.8 | 52 Ų | 52 | 3% | 0.025 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 177.8 | -71.9 | 167.9 | 0 | 0 | 0 | 112.2 | T1203 L1204 A1210 R1211 I1245 L1249 I1252 L1305 M1308 I1309 N1312 | T1203-L1207 HydrophobicContact CG2-CD1 4.18Å; T1203-L1207 WeakPolarHBondContact O-CD1 3.28Å; T1203-L1207 VanDerWaalsContact O-CG 3.31Å; T1203-L1207 WeakPolarHBondContact O-CG 3.33Å; T1203-L1207 PolarHBondContact O-N 2.98Å; T1203-L1207 VanDerWaalsContact O-N 3.08Å; L1204-L1207 PolarHBondContact O-N 3.09Å; L1204-L1207 VanDerWaalsContact O-N 3.14Å; L1207-A1210 PolarHBondContact O-N 2.86Å; L1207-R1211 VanDerWaalsContact O-CB 3.3Å; L1207-R1211 WeakPolarHBondContact O-CB 3.33Å; L1207-R1211 PolarHBondContact O-N 3.05Å; L1207-I1245 HydrophobicContact CD2-CG2 4.4Å; L1207-L1249 HydrophobicContact CD2-CD2 3.95Å; L1207-I1252 HydrophobicContact CD1-CD1 4.27Å; L1207-I1252 HydrophobicContact CD2-CD1 4.02Å; L1207-I1252 HydrophobicContact CG-CD1 4.03Å; L1207-L1305 HydrophobicContact CD2-CD2 4.01Å; L1207-M1308 HydrophobicContact CD1-CB 4.4Å; L1207-M1308 HydrophobicContact CD1-CE 3.9Å; L1207-M1308 HydrophobicContact CD1-SD 4.39Å; L1207-M1308 HydrophobicContact CD2-CB 4.39Å; L1207-M1308 HydrophobicContact CD2-CE 4.01Å; L1207-M1308 HydrophobicContact CD2-SD 4.35Å; L1207-M1308 HydrophobicContact CG-CE 4.4Å; L1207-I1309 HydrophobicContact CB-CD1 4.4Å; L1207-I1309 HydrophobicContact CB-CG1 4.09Å; L1207-N1312 HydrophobicContact CD1-CB 4.44Å |
| 1208 | Q | 62.1 | Low | 56.5 | Low | 44.8 Ų | 44.8 | 51.7 Ų | 51.7 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.3 | -50.5 | 173.3 | -72.1 | 174.4 | 1.2 | 0 | 0 | 110.8 | L1204 A1210 R1211 D1212 I1309 H1313 | L1204-Q1208 HydrophobicContact CD1-CG 4.12Å; L1204-Q1208 HydrophobicContact CG-CG 4.41Å; L1204-Q1208 WeakPolarHBondContact O-CB 3.24Å; L1204-Q1208 VanDerWaalsContact O-CG 3.32Å; L1204-Q1208 WeakPolarHBondContact O-CG 3.37Å; L1204-Q1208 PolarHBondContact O-N 3.21Å; Q1208-A1210 VanDerWaalsContact C-N 3.33Å; Q1208-A1210 PolarHBondContact O-N 3.05Å; Q1208-R1211 CarbonylContact O-C 3.56Å; Q1208-R1211 WeakPolarHBondContact O-CA 3.16Å; Q1208-R1211 WeakPolarHBondContact O-CB 3.31Å; Q1208-R1211 PolarHBondContact O-N 3.2Å; Q1208-R1211 VanDerWaalsContact O-N 3.07Å; Q1208-R1211 PolarHBondContact O-NE 3.01Å; Q1208-D1212 WeakPolarHBondContact O-CB 3.33Å; Q1208-D1212 VanDerWaalsContact O-CG 3.31Å; Q1208-D1212 PolarHBondContact O-N 3.08Å; Q1208-I1309 HydrophobicContact CB-CD1 4.49Å; Q1208-I1309 HydrophobicContact CG-CD1 4.01Å; Q1208-I1309 HydrophobicContact CG-CG1 4.36Å; Q1208-I1309 HydrophobicContact CG-CG2 4.11Å; Q1208-H1313 PolarHBondContact NE2-CE1 3.22Å; Q1208-H1313 VanDerWaalsContact NE2-CE1 3.32Å; Q1208-H1313 PolarHBondContact NE2-NE2 3.28Å |
| 1209 | H | 61.9 | Low | 56.5 | Low | 107 Ų | 107 | 53.1 Ų | 53.1 | 50% | 0.495 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.5 | -38.6 | 178.8 | -172.6 | 23.7 | 0 | 0 | 0 | 112.6 | N1205 I1206 D1212 N1213 | N1205-H1209 VanDerWaalsContact O-CB 3.24Å; N1205-H1209 WeakPolarHBondContact O-CB 3.41Å; N1205-H1209 PolarHBondContact O-N 3.16Å; I1206-H1209 PolarHBondContact O-N 3.14Å; H1209-D1212 PolarHBondContact O-N 3.15Å; H1209-N1213 PolarHBondContact CD2-ND2 3.16Å; H1209-N1213 PolarHBondContact CE1-ND2 2.99Å; H1209-N1213 VanDerWaalsContact CE1-ND2 3.27Å; H1209-N1213 PolarHBondContact CE1-OD1 3.08Å; H1209-N1213 PolarHBondContact ND1-ND2 2.87Å; H1209-N1213 PolarHBondContact ND1-OD1 2.66Å; H1209-N1213 PolarHBondContact NE2-ND2 3.2Å; H1209-N1213 VanDerWaalsContact NE2-ND2 3.13Å; H1209-N1213 VanDerWaalsContact O-CB 3.3Å; H1209-N1213 WeakPolarHBondContact O-CB 3.29Å; H1209-N1213 VanDerWaalsContact O-CG 3.25Å; H1209-N1213 PolarHBondContact O-N 3.2Å; H1209-N1213 PolarHBondContact O-ND2 3.22Å |
| 1210 | A | 56.7 | Low | 56.2 | Low | 11.8 Ų | 11.8 | 55.6 Ų | 55.6 | 10% | 0.098 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1206 L1207 Q1208 D1212 N1213 L1214 I1245 L1305 | I1206-A1210 VanDerWaalsContact O-CB 3.24Å; I1206-A1210 WeakPolarHBondContact O-CB 3.31Å; I1206-A1210 PolarHBondContact O-N 3.08Å; L1207-A1210 PolarHBondContact O-N 2.86Å; Q1208-A1210 VanDerWaalsContact C-N 3.33Å; Q1208-A1210 PolarHBondContact O-N 3.05Å; A1210-D1212 VanDerWaalsContact C-N 3.33Å; A1210-D1212 PolarHBondContact O-N 3Å; A1210-N1213 PolarHBondContact O-N 3.22Å; A1210-L1214 WeakPolarHBondContact O-CB 3.32Å; A1210-L1214 VanDerWaalsContact O-CG 3.31Å; A1210-L1214 WeakPolarHBondContact O-CG 3.33Å; A1210-L1214 PolarHBondContact O-N 2.99Å; A1210-L1214 VanDerWaalsContact O-N 3.09Å; A1210-I1245 HydrophobicContact CB-CD1 3.77Å; A1210-I1245 HydrophobicContact CB-CG1 3.88Å; A1210-L1305 HydrophobicContact CB-CD1 4.3Å |
| 1211 | R | 62.4 | Low | 55.5 | Low | 50.8 Ų | 50.8 | 61.7 Ų | 61.7 | 19% | 0.192 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 174.5 | 176.9 | -112.4 | -16.3 | -152.7 | 0.9 | 111.5 | L1207 Q1208 L1214 F1215 I1302 L1305 E1306 I1309 | L1207-R1211 VanDerWaalsContact O-CB 3.3Å; L1207-R1211 WeakPolarHBondContact O-CB 3.33Å; L1207-R1211 PolarHBondContact O-N 3.05Å; Q1208-R1211 CarbonylContact O-C 3.56Å; Q1208-R1211 WeakPolarHBondContact O-CA 3.16Å; Q1208-R1211 WeakPolarHBondContact O-CB 3.31Å; Q1208-R1211 PolarHBondContact O-N 3.2Å; Q1208-R1211 VanDerWaalsContact O-N 3.07Å; Q1208-R1211 PolarHBondContact O-NE 3.01Å; R1211-L1214 WeakPolarHBondContact O-CB 3.33Å; R1211-L1214 PolarHBondContact O-N 3.04Å; R1211-F1215 HydrophobicContact CG-CD2 4.04Å; R1211-F1215 HydrophobicContact CG-CE2 4.34Å; R1211-F1215 VanDerWaalsContact O-CB 3.3Å; R1211-F1215 WeakPolarHBondContact O-CB 3.34Å; R1211-F1215 PolarHBondContact O-N 3.09Å; R1211-I1302 HydrophobicContact CG-CG2 4.33Å; R1211-L1305 HydrophobicContact CB-CB 4.29Å; R1211-L1305 HydrophobicContact CB-CD1 4.31Å; R1211-L1305 HydrophobicContact CG-CB 4.23Å; R1211-E1306 WeakPolarHBondContact CD-OE1 3.24Å; R1211-E1306 HydrophobicContact CG-CG 4.26Å; R1211-E1306 IonicContact CZ-OE1 3.06Å; R1211-E1306 IonicContact NE-OE1 2.65Å; R1211-E1306 IonicContact NH1-OE1 3.33Å; R1211-E1306 PolarHBondContact NH1-OE1 3.34Å; R1211-E1306 IonicContact NH1-OE2 3.12Å; R1211-I1309 HydrophobicContact CB-CD1 4.08Å; R1211-I1309 HydrophobicContact CG-CD1 4.34Å |
| 1212 | D | 60.6 | Low | 54.8 | Low | 66.4 Ų | 66.4 | 66.7 Ų | 66.7 | 36% | 0.355 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -72.6 | -35.6 | -176.8 | -67.8 | -30.7 | 0 | 0 | 0 | 112.4 | Q1208 H1209 A1210 S1216 | Q1208-D1212 WeakPolarHBondContact O-CB 3.33Å; Q1208-D1212 VanDerWaalsContact O-CG 3.31Å; Q1208-D1212 PolarHBondContact O-N 3.08Å; H1209-D1212 PolarHBondContact O-N 3.15Å; A1210-D1212 VanDerWaalsContact C-N 3.33Å; A1210-D1212 PolarHBondContact O-N 3Å; D1212-S1216 WeakPolarHBondContact O-CB 3.45Å; D1212-S1216 PolarHBondContact O-N 3.17Å; D1212-S1216 PolarHBondContact O-OG 2.81Å |
| 1213 | N | 58.5 | Low | 53.6 | Low | 63.6 Ų | 63.6 | 66.3 Ų | 66.3 | 34% | 0.34 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.7 | -41.6 | 171.5 | -72.9 | -15.1 | 0 | 0 | 0 | 111.5 | H1209 A1210 S1216 S1217 | H1209-N1213 PolarHBondContact CD2-ND2 3.16Å; H1209-N1213 PolarHBondContact CE1-ND2 2.99Å; H1209-N1213 VanDerWaalsContact CE1-ND2 3.27Å; H1209-N1213 PolarHBondContact CE1-OD1 3.08Å; H1209-N1213 PolarHBondContact ND1-ND2 2.87Å; H1209-N1213 PolarHBondContact ND1-OD1 2.66Å; H1209-N1213 PolarHBondContact NE2-ND2 3.2Å; H1209-N1213 VanDerWaalsContact NE2-ND2 3.13Å; H1209-N1213 VanDerWaalsContact O-CB 3.3Å; H1209-N1213 WeakPolarHBondContact O-CB 3.29Å; H1209-N1213 VanDerWaalsContact O-CG 3.25Å; H1209-N1213 PolarHBondContact O-N 3.2Å; H1209-N1213 PolarHBondContact O-ND2 3.22Å; A1210-N1213 PolarHBondContact O-N 3.22Å; N1213-S1216 PolarHBondContact O-N 2.79Å; N1213-S1217 VanDerWaalsContact O-CB 3.28Å; N1213-S1217 WeakPolarHBondContact O-CB 3.33Å; N1213-S1217 PolarHBondContact O-N 3.01Å; N1213-S1217 PolarHBondContact O-OG 3.13Å |
| 1214 | L | 56.2 | Low | 52.6 | Low | 6 Ų | 6 | 70.5 Ų | 70.5 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.9 | -50.3 | 173.6 | -101.2 | 147.7 | 0 | 0 | 0 | 111.5 | A1210 R1211 S1216 S1217 V1218 I1237 I1245 I1301 I1302 L1305 | A1210-L1214 WeakPolarHBondContact O-CB 3.32Å; A1210-L1214 VanDerWaalsContact O-CG 3.31Å; A1210-L1214 WeakPolarHBondContact O-CG 3.33Å; A1210-L1214 PolarHBondContact O-N 2.99Å; A1210-L1214 VanDerWaalsContact O-N 3.09Å; R1211-L1214 WeakPolarHBondContact O-CB 3.33Å; R1211-L1214 PolarHBondContact O-N 3.04Å; L1214-S1216 VanDerWaalsContact C-N 3.33Å; L1214-S1216 PolarHBondContact O-N 3.33Å; L1214-S1217 WeakPolarHBondContact O-CB 3.49Å; L1214-S1217 PolarHBondContact O-N 3.1Å; L1214-S1217 VanDerWaalsContact O-N 3.15Å; L1214-V1218 WeakPolarHBondContact O-CB 3.38Å; L1214-V1218 VanDerWaalsContact O-CG2 3.26Å; L1214-V1218 WeakPolarHBondContact O-CG2 3.33Å; L1214-V1218 PolarHBondContact O-N 3.14Å; L1214-I1237 HydrophobicContact CD1-CD1 4.12Å; L1214-I1237 HydrophobicContact CD1-CG1 3.9Å; L1214-I1237 HydrophobicContact CD2-CD1 3.89Å; L1214-I1237 VanDerWaalsContact CD2-CD1 3.47Å; L1214-I1237 HydrophobicContact CD2-CG1 4.07Å; L1214-I1237 HydrophobicContact CG-CG1 4.44Å; L1214-I1245 HydrophobicContact CD1-CD1 4.19Å; L1214-I1245 HydrophobicContact CD1-CG2 4.39Å; L1214-I1245 HydrophobicContact CD2-CD1 4.35Å; L1214-I1245 HydrophobicContact CG-CD1 4.11Å; L1214-I1301 HydrophobicContact CD1-CG2 3.84Å; L1214-I1301 HydrophobicContact CD2-CB 4.1Å; L1214-I1301 HydrophobicContact CD2-CG2 3.51Å; L1214-I1302 HydrophobicContact CB-CD1 4.31Å; L1214-I1302 HydrophobicContact CB-CG1 4.05Å; L1214-I1302 HydrophobicContact CD2-CD1 4.48Å; L1214-I1302 HydrophobicContact CD2-CG1 3.64Å; L1214-I1302 HydrophobicContact CG-CD1 4.32Å; L1214-I1302 HydrophobicContact CG-CG1 3.95Å; L1214-L1305 HydrophobicContact CD1-CD1 3.79Å; L1214-L1305 HydrophobicContact CD2-CD1 4Å |
| 1215 | F | 57.1 | Low | 51.4 | Low | 81.8 Ų | 81.8 | 77 Ų | 77 | 36% | 0.359 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.5 | -46.8 | 177.6 | -156.6 | -82.3 | 0 | 0 | 0 | 111.5 | R1211 S1217 V1218 H1219 I1302 Y1460 | R1211-F1215 HydrophobicContact CG-CD2 4.04Å; R1211-F1215 HydrophobicContact CG-CE2 4.34Å; R1211-F1215 VanDerWaalsContact O-CB 3.3Å; R1211-F1215 WeakPolarHBondContact O-CB 3.34Å; R1211-F1215 PolarHBondContact O-N 3.09Å; F1215-S1217 VanDerWaalsContact C-N 3.32Å; F1215-S1217 PolarHBondContact O-N 2.86Å; F1215-V1218 PolarHBondContact O-N 3.18Å; F1215-H1219 AromaticContact CD1-ND1 3.67Å; F1215-H1219 AromaticContact CD2-CE1 3.8Å; F1215-H1219 AromaticContact CD2-ND1 3.92Å; F1215-H1219 HydrophobicContact CE1-CB 4.38Å; F1215-H1219 AromaticContact CE1-CD2 3.45Å; F1215-H1219 VanDerWaalsContact CE1-CD2 3.45Å; F1215-H1219 WeakPolarHBondContact CE1-CD2 3.3Å; F1215-H1219 AromaticContact CE1-CE1 3.8Å; F1215-H1219 AromaticContact CE1-CG 3.81Å; F1215-H1219 AromaticContact CE1-ND1 3.54Å; F1215-H1219 AromaticContact CE2-CE1 3.37Å; F1215-H1219 VanDerWaalsContact CE2-CE1 3.44Å; F1215-H1219 WeakPolarHBondContact CE2-CE1 3.33Å; F1215-H1219 AromaticContact CE2-ND1 3.82Å; F1215-H1219 AromaticContact CE2-NE2 3.93Å; F1215-H1219 AromaticContact CG-ND1 3.85Å; F1215-H1219 AromaticContact CZ-CD2 3.56Å; F1215-H1219 AromaticContact CZ-CE1 3.36Å; F1215-H1219 VanDerWaalsContact CZ-CE1 3.41Å; F1215-H1219 WeakPolarHBondContact CZ-CE1 3.3Å; F1215-H1219 AromaticContact CZ-ND1 3.62Å; F1215-H1219 AromaticContact CZ-NE2 3.68Å; F1215-H1219 VanDerWaalsContact O-CB 3.31Å; F1215-H1219 WeakPolarHBondContact O-CB 3.31Å; F1215-H1219 PolarHBondContact O-N 3Å; F1215-H1219 VanDerWaalsContact O-N 3.1Å; F1215-H1219 PolarHBondContact O-ND1 3.04Å; F1215-I1302 HydrophobicContact CB-CD1 4.38Å; F1215-I1302 HydrophobicContact CD1-CD1 4.46Å; F1215-I1302 HydrophobicContact CD2-CD1 4.35Å; F1215-I1302 HydrophobicContact CD2-CG2 4.12Å; F1215-I1302 HydrophobicContact CE1-CD1 4.41Å; F1215-I1302 HydrophobicContact CE2-CD1 4.26Å; F1215-I1302 HydrophobicContact CE2-CG1 4.44Å; F1215-I1302 HydrophobicContact CE2-CG2 4.01Å; F1215-I1302 HydrophobicContact CG-CD1 4.41Å; F1215-I1302 HydrophobicContact CZ-CD1 4.31Å; F1215-I1302 HydrophobicContact CZ-CG2 3.86Å; F1215-Y1460 HydrophobicContact CE1-CE1 4.39Å; F1215-Y1460 AromaticContact CE1-CE2 3.91Å; F1215-Y1460 HydrophobicContact CE1-CE2 3.91Å; F1215-Y1460 AromaticContact CE1-CZ 3.71Å; F1215-Y1460 HydrophobicContact CZ-CE2 4.46Å |
| 1216 | S | 55 | Low | 50 | Low | 56.8 Ų | 56.8 | 80 Ų | 80 | 40% | 0.397 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.5 | -41.2 | 176.8 | -78.2 | 0 | 0 | 0 | 0 | 112.4 | D1212 N1213 L1214 V1218 H1219 K1220 | D1212-S1216 WeakPolarHBondContact O-CB 3.45Å; D1212-S1216 PolarHBondContact O-N 3.17Å; D1212-S1216 PolarHBondContact O-OG 2.81Å; N1213-S1216 PolarHBondContact O-N 2.79Å; L1214-S1216 VanDerWaalsContact C-N 3.33Å; L1214-S1216 PolarHBondContact O-N 3.33Å; S1216-V1218 VanDerWaalsContact C-N 3.29Å; S1216-V1218 PolarHBondContact O-N 3.17Å; S1216-H1219 PolarHBondContact O-N 3.12Å; S1216-K1220 VanDerWaalsContact O-CB 3.25Å; S1216-K1220 WeakPolarHBondContact O-CB 3.33Å; S1216-K1220 VanDerWaalsContact O-CG 3.24Å; S1216-K1220 WeakPolarHBondContact O-CG 3.29Å; S1216-K1220 PolarHBondContact O-N 3.13Å; S1216-K1220 VanDerWaalsContact O-N 3.13Å |
| 1217 | S | 51.1 | Low | 48.7 | Very low | 42 Ų | 42 | 83.3 Ų | 83.3 | 29% | 0.294 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.7 | -35 | 178.9 | -62.7 | 0 | 0 | 0 | 0 | 112.5 | N1213 L1214 F1215 H1219 Y1221 I1235 | N1213-S1217 VanDerWaalsContact O-CB 3.28Å; N1213-S1217 WeakPolarHBondContact O-CB 3.33Å; N1213-S1217 PolarHBondContact O-N 3.01Å; N1213-S1217 PolarHBondContact O-OG 3.13Å; L1214-S1217 WeakPolarHBondContact O-CB 3.49Å; L1214-S1217 PolarHBondContact O-N 3.1Å; L1214-S1217 VanDerWaalsContact O-N 3.15Å; F1215-S1217 VanDerWaalsContact C-N 3.32Å; F1215-S1217 PolarHBondContact O-N 2.86Å; S1217-H1219 VanDerWaalsContact C-N 3.35Å; S1217-H1219 PolarHBondContact O-N 3.47Å; S1217-Y1221 WeakPolarHBondContact O-CD2 3.27Å; S1217-I1235 VanDerWaalsContact O-CD1 3.24Å; S1217-I1235 WeakPolarHBondContact O-CD1 3.32Å; S1217-I1235 WeakPolarHBondContact O-CG1 3.46Å; S1217-I1235 WeakPolarHBondContact O-CG2 3.45Å |
| 1218 | V | 50.8 | Low | 47.5 | Very low | 30.2 Ų | 30.2 | 90.3 Ų | 90.3 | 18% | 0.183 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -71.9 | -35 | 173.7 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | L1214 F1215 S1216 I1235 N1298 I1302 | L1214-V1218 WeakPolarHBondContact O-CB 3.38Å; L1214-V1218 VanDerWaalsContact O-CG2 3.26Å; L1214-V1218 WeakPolarHBondContact O-CG2 3.33Å; L1214-V1218 PolarHBondContact O-N 3.14Å; F1215-V1218 PolarHBondContact O-N 3.18Å; S1216-V1218 VanDerWaalsContact C-N 3.29Å; S1216-V1218 PolarHBondContact O-N 3.17Å; V1218-I1235 HydrophobicContact CG2-CG2 4.23Å; V1218-N1298 HydrophobicContact CG2-CB 3.88Å; V1218-N1298 WeakPolarHBondContact CG2-ND2 3.33Å; V1218-I1302 HydrophobicContact CB-CD1 4.29Å; V1218-I1302 HydrophobicContact CG2-CD1 4.13Å |
| 1219 | H | 48.5 | Very low | 45.9 | Very low | 93.6 Ų | 93.6 | 95.1 Ų | 95.1 | 43% | 0.433 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -95.2 | -20.3 | -173.1 | -86.4 | 27.3 | 0 | 0 | 0 | 115.2 | F1215 S1216 S1217 Y1221 H1222 | F1215-H1219 AromaticContact CD1-ND1 3.67Å; F1215-H1219 AromaticContact CD2-CE1 3.8Å; F1215-H1219 AromaticContact CD2-ND1 3.92Å; F1215-H1219 HydrophobicContact CE1-CB 4.38Å; F1215-H1219 AromaticContact CE1-CD2 3.45Å; F1215-H1219 VanDerWaalsContact CE1-CD2 3.45Å; F1215-H1219 WeakPolarHBondContact CE1-CD2 3.3Å; F1215-H1219 AromaticContact CE1-CE1 3.8Å; F1215-H1219 AromaticContact CE1-CG 3.81Å; F1215-H1219 AromaticContact CE1-ND1 3.54Å; F1215-H1219 AromaticContact CE2-CE1 3.37Å; F1215-H1219 VanDerWaalsContact CE2-CE1 3.44Å; F1215-H1219 WeakPolarHBondContact CE2-CE1 3.33Å; F1215-H1219 AromaticContact CE2-ND1 3.82Å; F1215-H1219 AromaticContact CE2-NE2 3.93Å; F1215-H1219 AromaticContact CG-ND1 3.85Å; F1215-H1219 AromaticContact CZ-CD2 3.56Å; F1215-H1219 AromaticContact CZ-CE1 3.36Å; F1215-H1219 VanDerWaalsContact CZ-CE1 3.41Å; F1215-H1219 WeakPolarHBondContact CZ-CE1 3.3Å; F1215-H1219 AromaticContact CZ-ND1 3.62Å; F1215-H1219 AromaticContact CZ-NE2 3.68Å; F1215-H1219 VanDerWaalsContact O-CB 3.31Å; F1215-H1219 WeakPolarHBondContact O-CB 3.31Å; F1215-H1219 PolarHBondContact O-N 3Å; F1215-H1219 VanDerWaalsContact O-N 3.1Å; F1215-H1219 PolarHBondContact O-ND1 3.04Å; S1216-H1219 PolarHBondContact O-N 3.12Å; S1217-H1219 VanDerWaalsContact C-N 3.35Å; S1217-H1219 PolarHBondContact O-N 3.47Å; H1219-Y1221 PolarHBondContact O-N 3.05Å; H1219-H1222 PolarHBondContact O-N 2.96Å; H1219-H1222 VanDerWaalsContact O-N 3.11Å |
| 1220 | K | 44.9 | Very low | 44.3 | Very low | 153.2 Ų | 153.2 | 95.9 Ų | 95.9 | 67% | 0.666 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -21.3 | -178.1 | -117.1 | 175.1 | -179.7 | 172.7 | 0 | 115.4 | S1216 H1222 | S1216-K1220 VanDerWaalsContact O-CB 3.25Å; S1216-K1220 WeakPolarHBondContact O-CB 3.33Å; S1216-K1220 VanDerWaalsContact O-CG 3.24Å; S1216-K1220 WeakPolarHBondContact O-CG 3.29Å; S1216-K1220 PolarHBondContact O-N 3.13Å; S1216-K1220 VanDerWaalsContact O-N 3.13Å; K1220-H1222 PolarHBondContact O-N 3.49Å |
| 1221 | Y | 40.3 | Very low | 43.1 | Very low | 145.6 Ų | 145.6 | 102.3 Ų | 102.3 | 57% | 0.571 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 0.6 | 179.9 | -81 | -78.2 | 0 | 0 | 0 | 115 | S1217 H1219 T1223 N1233 A1234 I1235 | S1217-Y1221 WeakPolarHBondContact O-CD2 3.27Å; H1219-Y1221 PolarHBondContact O-N 3.05Å; Y1221-T1223 VanDerWaalsContact C-N 3.35Å; Y1221-N1233 HydrophobicContact CE1-CB 4.27Å; Y1221-N1233 WeakPolarHBondContact OH-CB 3.41Å; Y1221-A1234 HydrophobicContact CD2-CB 4.37Å; Y1221-A1234 HydrophobicContact CE2-CB 3.68Å; Y1221-A1234 HydrophobicContact CG-CB 4.44Å; Y1221-I1235 HydrophobicContact CD2-CD1 4.35Å; Y1221-I1235 HydrophobicContact CD2-CG1 3.96Å |
| 1222 | H | 37.4 | Very low | 41.6 | Very low | 151 Ų | 151 | 104 Ų | 104 | 70% | 0.699 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -92.9 | -6.3 | 179.9 | -95.8 | 45 | 0 | 0 | 0 | 114.7 | H1219 K1220 | H1219-H1222 PolarHBondContact O-N 2.96Å; H1219-H1222 VanDerWaalsContact O-N 3.11Å; K1220-H1222 PolarHBondContact O-N 3.49Å |
| 1223 | T | 33.1 | Very low | 40.2 | Very low | 112.4 Ų | 112.4 | 107.6 Ų | 107.6 | 69% | 0.69 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -108 | -5.7 | -178.5 | 48.5 | 0 | 0 | 0 | 0 | 115 | Y1221 I1225 | Y1221-T1223 VanDerWaalsContact C-N 3.35Å; T1223-I1225 PolarHBondContact O-N 3.04Å |
| 1224 | V | 32.3 | Very low | 39.1 | Very low | 105 Ų | 105 | 106.1 Ų | 106.1 | 64% | 0.636 | 57% | 0.573 | S | S | * | * | trans | -107.4 | 78.4 | 175 | -171.5 | 0 | 0 | 0 | 0 | 109.6 | D1226 | V1224-D1226 VanDerWaalsContact C-N 3.3Å; V1224-D1226 HydrophobicContact CG1-CB 4.31Å; V1224-D1226 PolarHBondContact O-N 3.15Å | ||
| 1225 | I | 32.7 | Very low | 38.4 | Very low | 143.2 Ų | 143.2 | 108.2 Ų | 108.2 | 73% | 0.734 | 58% | 0.584 | S | S | * | * | trans | -92.1 | 84.3 | 162.2 | -54.7 | 177.4 | 0 | 0 | 0 | 107 | T1223 | T1223-I1225 PolarHBondContact O-N 3.04Š| ||
| 1226 | D | 31.6 | Very low | 37.7 | Very low | 144.2 Ų | 144.2 | 110.2 Ų | 110.2 | 77% | 0.771 | 60% | 0.597 | S | S | * | * | trans | -111.6 | 123 | 159.7 | -108.3 | -30.6 | 0 | 0 | 0 | 108.2 | V1224 | V1224-D1226 VanDerWaalsContact C-N 3.3Å; V1224-D1226 HydrophobicContact CG1-CB 4.31Å; V1224-D1226 PolarHBondContact O-N 3.15Å | ||
| 1227 | D | 31.1 | Very low | 37.3 | Very low | 134.4 Ų | 134.4 | 108.8 Ų | 108.8 | 72% | 0.719 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -52.8 | 141 | -179.9 | -75.9 | -45.6 | 0 | 0 | 0 | 114 | ||
| 1228 | N | 32.7 | Very low | 37.3 | Very low | 152.6 Ų | 152.6 | 109.7 Ų | 109.7 | 82% | 0.816 | 59% | 0.586 | S | S | * | * | S | Bend | trans | 81.8 | 43.1 | 160.8 | -46.9 | -76.3 | 0 | 0 | 0 | 119.5 | ||
| 1229 | N | 29.6 | Very low | 37.4 | Very low | 145.8 Ų | 145.8 | 112.1 Ų | 112.1 | 78% | 0.78 | 60% | 0.602 | S | S | * | * | trans | -155.2 | 88.3 | 161.2 | -124.9 | -22.9 | 0 | 0 | 0 | 115.6 | N1231 | N1229-N1231 VanDerWaalsContact C-N 3.33Å; N1229-N1231 PolarHBondContact O-N 3.04Å | ||
| 1230 | C | 28 | Very low | 37.6 | Very low | 122.8 Ų | 122.8 | 114 Ų | 114 | 83% | 0.83 | 61% | 0.611 | S | S | * | * | trans | -90 | 66.5 | 173.3 | -74.9 | 0 | 0 | 0 | 0 | 112.9 | S1232 | C1230-S1232 VanDerWaalsContact C-N 3.26Å; C1230-S1232 PolarHBondContact O-N 2.79Å; C1230-S1232 PolarHBondContact SG-OG 3.45Å; C1230-S1232 VanDerWaalsContact SG-OG 3.34Å | ||
| 1231 | N | 30.8 | Very low | 38 | Very low | 146.8 Ų | 146.8 | 110.4 Ų | 110.4 | 79% | 0.785 | 60% | 0.597 | S | S | * | * | trans | -110.9 | 83.2 | 161.8 | -97.2 | -15.5 | 0 | 0 | 0 | 109.6 | N1229 N1233 | N1229-N1231 VanDerWaalsContact C-N 3.33Å; N1229-N1231 PolarHBondContact O-N 3.04Å; N1231-N1233 PolarHBondContact O-N 3.27Å | ||
| 1232 | S | 31 | Very low | 38.7 | Very low | 86.2 Ų | 86.2 | 105 Ų | 105 | 60% | 0.603 | 58% | 0.576 | S | S | * | * | trans | -89.1 | 93.8 | -177.1 | 54 | 0 | 0 | 0 | 0 | 112 | C1230 A1234 | C1230-S1232 VanDerWaalsContact C-N 3.26Å; C1230-S1232 PolarHBondContact O-N 2.79Å; C1230-S1232 PolarHBondContact SG-OG 3.45Å; C1230-S1232 VanDerWaalsContact SG-OG 3.34Å; S1232-A1234 PolarHBondContact O-N 3.12Å | ||
| 1233 | N | 31.3 | Very low | 39.7 | Very low | 141.4 Ų | 141.4 | 102.1 Ų | 102.1 | 76% | 0.756 | 57% | 0.566 | S | S | * | * | trans | -72.8 | 82.6 | 170.7 | -70.9 | -6 | 0 | 0 | 0 | 110.5 | Y1221 N1231 I1235 | Y1221-N1233 HydrophobicContact CE1-CB 4.27Å; Y1221-N1233 WeakPolarHBondContact OH-CB 3.41Å; N1231-N1233 PolarHBondContact O-N 3.27Å; N1233-I1235 HydrophobicContact CB-CD1 3.9Å; N1233-I1235 HydrophobicContact CB-CG1 4.31Å; N1233-I1235 PolarHBondContact O-N 3.18Å | ||
| 1234 | A | 36.3 | Very low | 40.9 | Very low | 33.2 Ų | 33.2 | 102.5 Ų | 102.5 | 27% | 0.274 | 56% | 0.56 | S | S | . | * | trans | -83.7 | 117.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y1221 S1232 I1236 N1291 | Y1221-A1234 HydrophobicContact CD2-CB 4.37Å; Y1221-A1234 HydrophobicContact CE2-CB 3.68Å; Y1221-A1234 HydrophobicContact CG-CB 4.44Å; S1232-A1234 PolarHBondContact O-N 3.12Å; A1234-I1236 HydrophobicContact CB-CG1 4.3Å; A1234-I1236 PolarHBondContact O-N 2.63Å; A1234-N1291 PolarHBondContact O-ND2 3.02Å | ||
| 1235 | I | 40.5 | Very low | 42.1 | Very low | 50.8 Ų | 50.8 | 98.5 Ų | 98.5 | 26% | 0.261 | 54% | 0.535 | S | S | . | . | trans | 41.8 | 90.8 | 173 | -45.8 | 165.8 | 0 | 0 | 0 | 111.5 | S1217 V1218 Y1221 N1233 I1237 P1287 N1298 | S1217-I1235 VanDerWaalsContact O-CD1 3.24Å; S1217-I1235 WeakPolarHBondContact O-CD1 3.32Å; S1217-I1235 WeakPolarHBondContact O-CG1 3.46Å; S1217-I1235 WeakPolarHBondContact O-CG2 3.45Å; V1218-I1235 HydrophobicContact CG2-CG2 4.23Å; Y1221-I1235 HydrophobicContact CD2-CD1 4.35Å; Y1221-I1235 HydrophobicContact CD2-CG1 3.96Å; N1233-I1235 HydrophobicContact CB-CD1 3.9Å; N1233-I1235 HydrophobicContact CB-CG1 4.31Å; N1233-I1235 PolarHBondContact O-N 3.18Å; I1235-I1237 PolarHBondContact O-N 3.4Å; I1235-P1287 HydrophobicContact CD1-CB 4.42Å; I1235-P1287 WeakPolarHBondContact CD1-O 3.31Å; I1235-P1287 HydrophobicContact CG2-CB 3.81Å; I1235-N1298 WeakPolarHBondContact CG2-ND2 3.21Å | ||
| 1236 | I | 42.3 | Very low | 43.5 | Very low | 122.6 Ų | 122.6 | 93.7 Ų | 93.7 | 63% | 0.629 | 51% | 0.508 | S | S | * | . | trans | -103.6 | 102.3 | 157.3 | -59.1 | 170.1 | 0 | 0 | 0 | 107.2 | A1234 N1238 | A1234-I1236 HydrophobicContact CB-CG1 4.3Å; A1234-I1236 PolarHBondContact O-N 2.63Å; I1236-N1238 HydrophobicContact CG2-CB 4.44Å; I1236-N1238 PolarHBondContact O-N 3.01Å | ||
| 1237 | I | 46.7 | Very low | 45 | Very low | 27 Ų | 27 | 90.5 Ų | 90.5 | 14% | 0.138 | 50% | 0.495 | C | S | . | . | trans | -61.4 | 130.4 | 152.4 | -57.2 | 168.4 | 0 | 0 | 0 | 105.5 | L1214 I1235 P1239 E1241 F1242 L1282 I1285 N1298 | L1214-I1237 HydrophobicContact CD1-CD1 4.12Å; L1214-I1237 HydrophobicContact CD1-CG1 3.9Å; L1214-I1237 HydrophobicContact CD2-CD1 3.89Å; L1214-I1237 VanDerWaalsContact CD2-CD1 3.47Å; L1214-I1237 HydrophobicContact CD2-CG1 4.07Å; L1214-I1237 HydrophobicContact CG-CG1 4.44Å; I1235-I1237 PolarHBondContact O-N 3.4Å; I1237-P1239 WeakPolarHBondContact O-CD 3.39Å; I1237-P1239 VanDerWaalsContact O-N 3.16Å; I1237-E1241 HydrophobicContact CG2-CB 4.23Å; I1237-F1242 HydrophobicContact CB-CD2 4.3Å; I1237-F1242 HydrophobicContact CD1-CD2 4.29Å; I1237-F1242 HydrophobicContact CD1-CE2 4.27Å; I1237-F1242 HydrophobicContact CG2-CB 4.24Å; I1237-F1242 HydrophobicContact CG2-CD2 4.04Å; I1237-L1282 HydrophobicContact CD1-CD2 3.89Å; I1237-I1285 HydrophobicContact CD1-CD1 3.97Å; I1237-N1298 WeakPolarHBondContact CD1-OD1 3.23Å | ||
| 1238 | N | 52.1 | Low | 46.3 | Very low | 61.4 Ų | 61.4 | 86 Ų | 86 | 33% | 0.328 | 47% | 0.472 | S | S | . | . | trans | -58.5 | 127.3 | 179.3 | 176 | 2.5 | 0 | 0 | 0 | 108.5 | I1236 Q1240 E1241 F1242 | I1236-N1238 HydrophobicContact CG2-CB 4.44Å; I1236-N1238 PolarHBondContact O-N 3.01Å; N1238-Q1240 PolarHBondContact ND2-OE1 2.98Å; N1238-Q1240 VanDerWaalsContact ND2-OE1 3.16Å; N1238-Q1240 PolarHBondContact O-N 2.94Å; N1238-Q1240 WeakPolarHBondContact OD1-CB 3.4Å; N1238-Q1240 PolarHBondContact OD1-N 3.16Å; N1238-Q1240 VanDerWaalsContact OD1-N 3.12Å; N1238-E1241 HydrophobicContact CB-CB 4.23Å; N1238-E1241 HydrophobicContact CB-CG 3.94Å; N1238-E1241 WeakPolarHBondContact CB-OE1 3.34Å; N1238-E1241 VanDerWaalsContact CB-OE2 3.32Å; N1238-E1241 WeakPolarHBondContact CB-OE2 3.35Å; N1238-E1241 PolarHBondContact N-OE2 3.03Å; N1238-E1241 PolarHBondContact ND2-OE1 3.04Å; N1238-E1241 WeakPolarHBondContact O-CA 3.3Å; N1238-E1241 WeakPolarHBondContact O-CB 3.4Å; N1238-E1241 PolarHBondContact O-N 3.06Å; N1238-F1242 PolarHBondContact O-N 3.03Å | ||
| 1239 | P | 51.2 | Low | 47.6 | Very low | 80.8 Ų | 80.8 | 78.8 Ų | 78.8 | 53% | 0.525 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -51.1 | -29.3 | 178 | -30.5 | 36.8 | 0 | 0 | 0 | 113.6 | I1237 F1242 D1243 | I1237-P1239 WeakPolarHBondContact O-CD 3.39Å; I1237-P1239 VanDerWaalsContact O-N 3.16Å; P1239-F1242 WeakPolarHBondContact O-CB 3.39Å; P1239-F1242 PolarHBondContact O-N 3.11Å; P1239-D1243 WeakPolarHBondContact O-CB 3.38Å; P1239-D1243 VanDerWaalsContact O-CG 3.31Å; P1239-D1243 PolarHBondContact O-N 3.02Å |
| 1240 | Q | 53.7 | Low | 49.3 | Very low | 132.8 Ų | 132.8 | 75.5 Ų | 75.5 | 62% | 0.621 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -71 | -37.4 | 174.4 | -74.2 | 177.7 | -36.3 | 0 | 0 | 113.8 | N1238 F1242 Q1244 | N1238-Q1240 PolarHBondContact ND2-OE1 2.98Å; N1238-Q1240 VanDerWaalsContact ND2-OE1 3.16Å; N1238-Q1240 PolarHBondContact O-N 2.94Å; N1238-Q1240 WeakPolarHBondContact OD1-CB 3.4Å; N1238-Q1240 PolarHBondContact OD1-N 3.16Å; N1238-Q1240 VanDerWaalsContact OD1-N 3.12Å; Q1240-F1242 VanDerWaalsContact C-N 3.28Å; Q1240-F1242 PolarHBondContact O-N 3.14Å; Q1240-Q1244 WeakPolarHBondContact O-CB 3.37Å; Q1240-Q1244 VanDerWaalsContact O-CG 3.28Å; Q1240-Q1244 WeakPolarHBondContact O-CG 3.29Å; Q1240-Q1244 PolarHBondContact O-N 3.06Å; Q1240-Q1244 VanDerWaalsContact O-N 3.12Å; Q1240-Q1244 PolarHBondContact O-NE2 3.15Å |
| 1241 | E | 52.4 | Low | 50.9 | Low | 78.4 Ų | 78.4 | 75 Ų | 75 | 37% | 0.366 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.6 | -38.5 | 172.6 | -68.7 | 167.7 | 172.3 | 0 | 0 | 110.1 | I1237 N1238 Q1244 I1245 | I1237-E1241 HydrophobicContact CG2-CB 4.23Å; N1238-E1241 HydrophobicContact CB-CB 4.23Å; N1238-E1241 HydrophobicContact CB-CG 3.94Å; N1238-E1241 WeakPolarHBondContact CB-OE1 3.34Å; N1238-E1241 VanDerWaalsContact CB-OE2 3.32Å; N1238-E1241 WeakPolarHBondContact CB-OE2 3.35Å; N1238-E1241 PolarHBondContact N-OE2 3.03Å; N1238-E1241 PolarHBondContact ND2-OE1 3.04Å; N1238-E1241 WeakPolarHBondContact O-CA 3.3Å; N1238-E1241 WeakPolarHBondContact O-CB 3.4Å; N1238-E1241 PolarHBondContact O-N 3.06Å; E1241-Q1244 WeakPolarHBondContact O-CB 3.38Å; E1241-Q1244 PolarHBondContact O-N 3.28Å; E1241-I1245 WeakPolarHBondContact O-CB 3.41Å; E1241-I1245 WeakPolarHBondContact O-CD1 3.34Å; E1241-I1245 VanDerWaalsContact O-CG1 3.29Å; E1241-I1245 WeakPolarHBondContact O-CG1 3.42Å; E1241-I1245 PolarHBondContact O-N 3.1Å |
| 1242 | F | 55.8 | Low | 52.1 | Low | 33 Ų | 33 | 68.4 Ų | 68.4 | 15% | 0.145 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.7 | -48.8 | 176 | -167.3 | -101.6 | 0 | 0 | 0 | 112 | I1237 N1238 P1239 Q1240 Q1244 I1245 K1246 L1282 I1285 | I1237-F1242 HydrophobicContact CB-CD2 4.3Å; I1237-F1242 HydrophobicContact CD1-CD2 4.29Å; I1237-F1242 HydrophobicContact CD1-CE2 4.27Å; I1237-F1242 HydrophobicContact CG2-CB 4.24Å; I1237-F1242 HydrophobicContact CG2-CD2 4.04Å; N1238-F1242 PolarHBondContact O-N 3.03Å; P1239-F1242 WeakPolarHBondContact O-CB 3.39Å; P1239-F1242 PolarHBondContact O-N 3.11Å; Q1240-F1242 VanDerWaalsContact C-N 3.28Å; Q1240-F1242 PolarHBondContact O-N 3.14Å; F1242-Q1244 VanDerWaalsContact C-N 3.32Å; F1242-Q1244 PolarHBondContact O-N 3.18Å; F1242-I1245 PolarHBondContact O-N 3.13Å; F1242-K1246 HydrophobicContact CD2-CB 4.43Å; F1242-K1246 HydrophobicContact CE1-CD 4.32Å; F1242-K1246 HydrophobicContact CE2-CB 4.05Å; F1242-K1246 HydrophobicContact CE2-CD 4.14Å; F1242-K1246 HydrophobicContact CE2-CG 4.42Å; F1242-K1246 HydrophobicContact CZ-CB 4.49Å; F1242-K1246 HydrophobicContact CZ-CD 3.76Å; F1242-K1246 VanDerWaalsContact O-CB 3.29Å; F1242-K1246 WeakPolarHBondContact O-CB 3.31Å; F1242-K1246 PolarHBondContact O-N 3.2Å; F1242-L1282 HydrophobicContact CD2-CB 4.27Å; F1242-L1282 HydrophobicContact CD2-CD1 4.19Å; F1242-L1282 HydrophobicContact CD2-CD2 4.11Å; F1242-L1282 HydrophobicContact CD2-CG 4.38Å; F1242-L1282 HydrophobicContact CE1-CB 3.79Å; F1242-L1282 HydrophobicContact CE1-CD2 4.05Å; F1242-L1282 HydrophobicContact CE1-CG 4.46Å; F1242-L1282 VanDerWaalsContact CE1-O 3.3Å; F1242-L1282 WeakPolarHBondContact CE1-O 3.46Å; F1242-L1282 HydrophobicContact CE2-CB 3.8Å; F1242-L1282 HydrophobicContact CE2-CD1 3.9Å; F1242-L1282 HydrophobicContact CE2-CD2 3.67Å; F1242-L1282 VanDerWaalsContact CE2-CD2 3.45Å; F1242-L1282 HydrophobicContact CE2-CG 4.26Å; F1242-L1282 WeakPolarHBondContact CE2-O 3.42Å; F1242-L1282 VanDerWaalsContact CZ-C 3.46Å; F1242-L1282 HydrophobicContact CZ-CB 3.76Å; F1242-L1282 HydrophobicContact CZ-CD2 3.37Å; F1242-L1282 VanDerWaalsContact CZ-CD2 3.43Å; F1242-L1282 HydrophobicContact CZ-CG 4.13Å; F1242-L1282 VanDerWaalsContact CZ-O 3.23Å; F1242-L1282 WeakPolarHBondContact CZ-O 3.38Å; F1242-I1285 HydrophobicContact CE2-CB 4.29Å; F1242-I1285 HydrophobicContact CE2-CD1 3.9Å; F1242-I1285 HydrophobicContact CE2-CG1 4.46Å; F1242-I1285 HydrophobicContact CE2-CG2 4.33Å; F1242-I1285 HydrophobicContact CZ-CB 3.8Å; F1242-I1285 HydrophobicContact CZ-CD1 3.82Å; F1242-I1285 HydrophobicContact CZ-CG1 4.1Å; F1242-I1285 HydrophobicContact CZ-CG2 4.33Å |
| 1243 | D | 58.8 | Low | 53.5 | Low | 90 Ų | 90 | 64.8 Ų | 64.8 | 48% | 0.481 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.3 | -34.6 | 174.7 | -81.8 | -30.5 | 0 | 0 | 0 | 112.1 | P1239 K1246 T1247 | P1239-D1243 WeakPolarHBondContact O-CB 3.38Å; P1239-D1243 VanDerWaalsContact O-CG 3.31Å; P1239-D1243 PolarHBondContact O-N 3.02Å; D1243-K1246 PolarHBondContact O-N 2.93Å; D1243-T1247 VanDerWaalsContact O-CB 3.22Å; D1243-T1247 WeakPolarHBondContact O-CB 3.29Å; D1243-T1247 VanDerWaalsContact O-CG2 3.25Å; D1243-T1247 WeakPolarHBondContact O-CG2 3.35Å; D1243-T1247 PolarHBondContact O-N 3.24Å; D1243-T1247 PolarHBondContact O-OG1 2.85Å |
| 1244 | Q | 58 | Low | 55 | Low | 119.6 Ų | 119.6 | 64.8 Ų | 64.8 | 56% | 0.559 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64.4 | -48.2 | 172.7 | -80.3 | 175.8 | 5.1 | 0 | 0 | 112.2 | Q1240 E1241 F1242 K1246 T1247 T1248 | Q1240-Q1244 WeakPolarHBondContact O-CB 3.37Å; Q1240-Q1244 VanDerWaalsContact O-CG 3.28Å; Q1240-Q1244 WeakPolarHBondContact O-CG 3.29Å; Q1240-Q1244 PolarHBondContact O-N 3.06Å; Q1240-Q1244 VanDerWaalsContact O-N 3.12Å; Q1240-Q1244 PolarHBondContact O-NE2 3.15Å; E1241-Q1244 WeakPolarHBondContact O-CB 3.38Å; E1241-Q1244 PolarHBondContact O-N 3.28Å; F1242-Q1244 VanDerWaalsContact C-N 3.32Å; F1242-Q1244 PolarHBondContact O-N 3.18Å; Q1244-K1246 VanDerWaalsContact C-N 3.31Å; Q1244-K1246 PolarHBondContact O-N 3.11Å; Q1244-T1247 WeakPolarHBondContact CA-OG1 3.4Å; Q1244-T1247 PolarHBondContact O-N 3.23Å; Q1244-T1247 VanDerWaalsContact O-N 3.09Å; Q1244-T1247 PolarHBondContact O-OG1 2.92Å; Q1244-T1247 VanDerWaalsContact O-OG1 3.05Å; Q1244-T1248 VanDerWaalsContact O-CB 3.27Å; Q1244-T1248 WeakPolarHBondContact O-CB 3.39Å; Q1244-T1248 PolarHBondContact O-N 3Å; Q1244-T1248 PolarHBondContact O-OG1 3.13Å |
| 1245 | I | 57.2 | Low | 55.8 | Low | 21.2 Ų | 21.2 | 65.8 Ų | 65.8 | 11% | 0.109 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.3 | -48.8 | 175.8 | -68.7 | 164.8 | 0 | 0 | 0 | 109.7 | L1207 A1210 L1214 E1241 F1242 T1247 T1248 L1249 L1282 | L1207-I1245 HydrophobicContact CD2-CG2 4.4Å; A1210-I1245 HydrophobicContact CB-CD1 3.77Å; A1210-I1245 HydrophobicContact CB-CG1 3.88Å; L1214-I1245 HydrophobicContact CD1-CD1 4.19Å; L1214-I1245 HydrophobicContact CD1-CG2 4.39Å; L1214-I1245 HydrophobicContact CD2-CD1 4.35Å; L1214-I1245 HydrophobicContact CG-CD1 4.11Å; E1241-I1245 WeakPolarHBondContact O-CB 3.41Å; E1241-I1245 WeakPolarHBondContact O-CD1 3.34Å; E1241-I1245 VanDerWaalsContact O-CG1 3.29Å; E1241-I1245 WeakPolarHBondContact O-CG1 3.42Å; E1241-I1245 PolarHBondContact O-N 3.1Å; F1242-I1245 PolarHBondContact O-N 3.13Å; I1245-T1247 VanDerWaalsContact C-N 3.32Å; I1245-T1247 PolarHBondContact O-N 3.35Å; I1245-T1248 CarbonylContact O-C 3.06Å; I1245-T1248 WeakPolarHBondContact O-CA 3.41Å; I1245-T1248 WeakPolarHBondContact O-CB 3.44Å; I1245-T1248 PolarHBondContact O-N 2.99Å; I1245-L1249 HydrophobicContact CG2-CD1 3.94Å; I1245-L1249 HydrophobicContact CG2-CD2 4.41Å; I1245-L1249 HydrophobicContact CG2-CG 4.3Å; I1245-L1249 WeakPolarHBondContact O-CB 3.22Å; I1245-L1249 VanDerWaalsContact O-CG 3.27Å; I1245-L1249 WeakPolarHBondContact O-CG 3.38Å; I1245-L1249 PolarHBondContact O-N 2.88Å; I1245-L1282 HydrophobicContact CG2-CD1 4.3Å |
| 1246 | K | 63.3 | Low | 56.3 | Low | 42 Ų | 42 | 63.6 Ų | 63.6 | 18% | 0.183 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 178.9 | -173.5 | -177.8 | -178 | -179 | 0 | 112.9 | F1242 D1243 Q1244 T1248 L1249 L1250 I1279 E1283 | F1242-K1246 HydrophobicContact CD2-CB 4.43Å; F1242-K1246 HydrophobicContact CE1-CD 4.32Å; F1242-K1246 HydrophobicContact CE2-CB 4.05Å; F1242-K1246 HydrophobicContact CE2-CD 4.14Å; F1242-K1246 HydrophobicContact CE2-CG 4.42Å; F1242-K1246 HydrophobicContact CZ-CB 4.49Å; F1242-K1246 HydrophobicContact CZ-CD 3.76Å; F1242-K1246 VanDerWaalsContact O-CB 3.29Å; F1242-K1246 WeakPolarHBondContact O-CB 3.31Å; F1242-K1246 PolarHBondContact O-N 3.2Å; D1243-K1246 PolarHBondContact O-N 2.93Å; Q1244-K1246 VanDerWaalsContact C-N 3.31Å; Q1244-K1246 PolarHBondContact O-N 3.11Å; K1246-T1248 VanDerWaalsContact C-N 3.34Å; K1246-T1248 PolarHBondContact O-N 3.44Å; K1246-L1249 PolarHBondContact O-N 3.27Å; K1246-L1250 HydrophobicContact CG-CD1 4.21Å; K1246-L1250 WeakPolarHBondContact O-CB 3.31Å; K1246-L1250 VanDerWaalsContact O-CG 3.27Å; K1246-L1250 WeakPolarHBondContact O-CG 3.41Å; K1246-L1250 PolarHBondContact O-N 3.16Å; K1246-I1279 HydrophobicContact CG-CG2 4.45Å; K1246-E1283 WeakPolarHBondContact CE-OE1 3.35Å; K1246-E1283 VanDerWaalsContact NZ-CG 3.34Å; K1246-E1283 IonicContact NZ-OE1 2.84Å; K1246-E1283 PolarHBondContact NZ-OE1 3.2Å |
| 1247 | T | 62.8 | Low | 56.9 | Low | 78.2 Ų | 78.2 | 63.1 Ų | 63.1 | 48% | 0.48 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 176.9 | 7.5 | 0 | 0 | 0 | 0 | 111.5 | D1243 Q1244 I1245 L1249 L1250 E1251 | D1243-T1247 VanDerWaalsContact O-CB 3.22Å; D1243-T1247 WeakPolarHBondContact O-CB 3.29Å; D1243-T1247 VanDerWaalsContact O-CG2 3.25Å; D1243-T1247 WeakPolarHBondContact O-CG2 3.35Å; D1243-T1247 PolarHBondContact O-N 3.24Å; D1243-T1247 PolarHBondContact O-OG1 2.85Å; Q1244-T1247 WeakPolarHBondContact CA-OG1 3.4Å; Q1244-T1247 PolarHBondContact O-N 3.23Å; Q1244-T1247 VanDerWaalsContact O-N 3.09Å; Q1244-T1247 PolarHBondContact O-OG1 2.92Å; Q1244-T1247 VanDerWaalsContact O-OG1 3.05Å; I1245-T1247 VanDerWaalsContact C-N 3.32Å; I1245-T1247 PolarHBondContact O-N 3.35Å; T1247-L1249 PolarHBondContact O-N 3.32Å; T1247-L1250 CarbonylContact O-C 3.57Å; T1247-L1250 WeakPolarHBondContact O-CB 3.45Å; T1247-L1250 PolarHBondContact O-N 3.01Å; T1247-E1251 WeakPolarHBondContact O-CG 3.42Å; T1247-E1251 PolarHBondContact O-N 3.1Å |
| 1248 | T | 57.2 | Low | 57 | Low | 38.4 Ų | 38.4 | 66.8 Ų | 66.8 | 24% | 0.236 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 176.3 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | T1203 I1206 Q1244 I1245 K1246 L1250 E1251 I1252 | T1203-T1248 HydrophobicContact CG2-CG2 3.59Å; T1203-T1248 VanDerWaalsContact OG1-CG2 3.31Å; T1203-T1248 WeakPolarHBondContact OG1-CG2 3.4Å; I1206-T1248 HydrophobicContact CB-CG2 4.39Å; I1206-T1248 HydrophobicContact CD1-CG2 3.9Å; I1206-T1248 HydrophobicContact CG2-CG2 3.6Å; Q1244-T1248 VanDerWaalsContact O-CB 3.27Å; Q1244-T1248 WeakPolarHBondContact O-CB 3.39Å; Q1244-T1248 PolarHBondContact O-N 3Å; Q1244-T1248 PolarHBondContact O-OG1 3.13Å; I1245-T1248 CarbonylContact O-C 3.06Å; I1245-T1248 WeakPolarHBondContact O-CA 3.41Å; I1245-T1248 WeakPolarHBondContact O-CB 3.44Å; I1245-T1248 PolarHBondContact O-N 2.99Å; K1246-T1248 VanDerWaalsContact C-N 3.34Å; K1246-T1248 PolarHBondContact O-N 3.44Å; T1248-L1250 VanDerWaalsContact C-N 3.32Å; T1248-L1250 PolarHBondContact O-N 3.13Å; T1248-E1251 PolarHBondContact O-N 3.22Å; T1248-I1252 HydrophobicContact CG2-CD1 4.07Å; T1248-I1252 HydrophobicContact CG2-CG1 4.42Å; T1248-I1252 WeakPolarHBondContact O-CB 3.47Å; T1248-I1252 WeakPolarHBondContact O-CD1 3.31Å; T1248-I1252 VanDerWaalsContact O-CG1 3.28Å; T1248-I1252 WeakPolarHBondContact O-CG1 3.27Å; T1248-I1252 PolarHBondContact O-N 2.99Å |
| 1249 | L | 60.3 | Low | 56.6 | Low | 3 Ų | 3 | 66.1 Ų | 66.1 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.6 | -40 | 173.7 | -72.1 | 176 | 0 | 0 | 0 | 112.2 | L1207 I1245 K1246 T1247 I1252 T1253 I1275 V1278 I1279 L1282 L1305 M1308 | L1207-L1249 HydrophobicContact CD2-CD2 3.95Å; I1245-L1249 HydrophobicContact CG2-CD1 3.94Å; I1245-L1249 HydrophobicContact CG2-CD2 4.41Å; I1245-L1249 HydrophobicContact CG2-CG 4.3Å; I1245-L1249 WeakPolarHBondContact O-CB 3.22Å; I1245-L1249 VanDerWaalsContact O-CG 3.27Å; I1245-L1249 WeakPolarHBondContact O-CG 3.38Å; I1245-L1249 PolarHBondContact O-N 2.88Å; K1246-L1249 PolarHBondContact O-N 3.27Å; T1247-L1249 PolarHBondContact O-N 3.32Å; L1249-I1252 HydrophobicContact CD2-CD1 4.4Å; L1249-I1252 PolarHBondContact O-N 3.23Å; L1249-T1253 VanDerWaalsContact O-CB 3.31Å; L1249-T1253 WeakPolarHBondContact O-CB 3.33Å; L1249-T1253 PolarHBondContact O-N 3.23Å; L1249-T1253 PolarHBondContact O-OG1 3.14Å; L1249-I1275 HydrophobicContact CB-CG2 3.81Å; L1249-I1275 HydrophobicContact CD1-CG2 4.45Å; L1249-I1275 HydrophobicContact CD2-CG1 4.35Å; L1249-I1275 HydrophobicContact CD2-CG2 4.06Å; L1249-I1275 HydrophobicContact CG-CG2 4.39Å; L1249-V1278 HydrophobicContact CD1-CB 4.29Å; L1249-V1278 HydrophobicContact CD1-CG1 3.7Å; L1249-I1279 HydrophobicContact CB-CD1 4.11Å; L1249-I1279 HydrophobicContact CB-CG1 4.19Å; L1249-I1279 HydrophobicContact CD1-CG1 4.22Å; L1249-I1279 HydrophobicContact CG-CG1 4.47Å; L1249-L1282 HydrophobicContact CD1-CD1 3.91Å; L1249-L1305 HydrophobicContact CD2-CD2 4.35Å; L1249-M1308 HydrophobicContact CD1-SD 4.43Å; L1249-M1308 HydrophobicContact CD2-CE 3.57Å; L1249-M1308 HydrophobicContact CD2-SD 3.49Å; L1249-M1308 VanDerWaalsContact CD2-SD 3.57Å; L1249-M1308 WeakPolarHBondContact CD2-SD 3.47Å |
| 1250 | L | 65.5 | Low | 56.1 | Low | 75.4 Ų | 75.4 | 70.5 Ų | 70.5 | 40% | 0.395 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.3 | -34.4 | 174.9 | -75.3 | 167.5 | 0 | 0 | 0 | 112.9 | K1246 T1247 T1248 T1253 K1254 I1279 | K1246-L1250 HydrophobicContact CG-CD1 4.21Å; K1246-L1250 WeakPolarHBondContact O-CB 3.31Å; K1246-L1250 VanDerWaalsContact O-CG 3.27Å; K1246-L1250 WeakPolarHBondContact O-CG 3.41Å; K1246-L1250 PolarHBondContact O-N 3.16Å; T1247-L1250 CarbonylContact O-C 3.57Å; T1247-L1250 WeakPolarHBondContact O-CB 3.45Å; T1247-L1250 PolarHBondContact O-N 3.01Å; T1248-L1250 VanDerWaalsContact C-N 3.32Å; T1248-L1250 PolarHBondContact O-N 3.13Å; L1250-T1253 PolarHBondContact O-N 3.01Å; L1250-K1254 WeakPolarHBondContact O-CB 3.26Å; L1250-K1254 WeakPolarHBondContact O-CD 3.34Å; L1250-K1254 VanDerWaalsContact O-CG 3.29Å; L1250-K1254 WeakPolarHBondContact O-CG 3.31Å; L1250-K1254 PolarHBondContact O-N 3.13Å; L1250-K1254 VanDerWaalsContact O-N 3.13Å; L1250-I1279 HydrophobicContact CD2-CD1 3.78Å; L1250-I1279 HydrophobicContact CG-CD1 3.91Å |
| 1251 | E | 61.5 | Low | 55.5 | Low | 112.6 Ų | 112.6 | 68.7 Ų | 68.7 | 53% | 0.526 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.4 | -45.7 | 171.2 | -75 | -157.8 | 149.3 | 0 | 0 | 111.7 | W1195 K1199 T1247 T1248 T1253 K1254 I1255 | W1195-E1251 HydrophobicContact CH2-CB 4.48Å; W1195-E1251 HydrophobicContact CZ2-CB 4.29Å; W1195-E1251 WeakPolarHBondContact CZ2-OE2 3.18Å; K1199-E1251 IonicContact NZ-OE2 3.69Å; T1247-E1251 WeakPolarHBondContact O-CG 3.42Å; T1247-E1251 PolarHBondContact O-N 3.1Å; T1248-E1251 PolarHBondContact O-N 3.22Å; E1251-T1253 VanDerWaalsContact C-N 3.33Å; E1251-T1253 PolarHBondContact O-N 3.14Å; E1251-K1254 CarbonylContact O-C 3.55Å; E1251-K1254 WeakPolarHBondContact O-CB 3.34Å; E1251-K1254 PolarHBondContact O-N 3.11Å; E1251-K1254 VanDerWaalsContact O-N 3.15Å; E1251-I1255 WeakPolarHBondContact O-CB 3.41Å; E1251-I1255 WeakPolarHBondContact O-CD1 3.19Å; E1251-I1255 VanDerWaalsContact O-CG1 3.29Å; E1251-I1255 WeakPolarHBondContact O-CG1 3.27Å; E1251-I1255 PolarHBondContact O-N 3.12Å; E1251-I1255 VanDerWaalsContact O-N 3.09Å |
| 1252 | I | 55.7 | Low | 54.9 | Low | 8.6 Ų | 8.6 | 65.3 Ų | 65.3 | 4% | 0.044 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.1 | -47.5 | 174.3 | -67.1 | 166 | 0 | 0 | 0 | 110.2 | T1203 I1206 L1207 T1248 L1249 K1254 I1255 I1256 I1275 M1308 | T1203-I1252 HydrophobicContact CG2-CD1 3.86Å; T1203-I1252 HydrophobicContact CG2-CG1 4.04Å; T1203-I1252 HydrophobicContact CG2-CG2 4.17Å; I1206-I1252 HydrophobicContact CB-CD1 4.16Å; I1206-I1252 HydrophobicContact CG2-CD1 3.9Å; L1207-I1252 HydrophobicContact CD1-CD1 4.27Å; L1207-I1252 HydrophobicContact CD2-CD1 4.02Å; L1207-I1252 HydrophobicContact CG-CD1 4.03Å; T1248-I1252 HydrophobicContact CG2-CD1 4.07Å; T1248-I1252 HydrophobicContact CG2-CG1 4.42Å; T1248-I1252 WeakPolarHBondContact O-CB 3.47Å; T1248-I1252 WeakPolarHBondContact O-CD1 3.31Å; T1248-I1252 VanDerWaalsContact O-CG1 3.28Å; T1248-I1252 WeakPolarHBondContact O-CG1 3.27Å; T1248-I1252 PolarHBondContact O-N 2.99Å; L1249-I1252 HydrophobicContact CD2-CD1 4.4Å; L1249-I1252 PolarHBondContact O-N 3.23Å; I1252-K1254 VanDerWaalsContact C-N 3.32Å; I1252-K1254 PolarHBondContact O-N 3.22Å; I1252-I1255 WeakPolarHBondContact O-CB 3.4Å; I1252-I1255 PolarHBondContact O-N 3.04Å; I1252-I1255 VanDerWaalsContact O-N 3.16Å; I1252-I1256 HydrophobicContact CG2-CD1 3.69Å; I1252-I1256 HydrophobicContact CG2-CG1 4.42Å; I1252-I1256 WeakPolarHBondContact O-CB 3.21Å; I1252-I1256 WeakPolarHBondContact O-CD1 3.46Å; I1252-I1256 VanDerWaalsContact O-CG1 3.27Å; I1252-I1256 WeakPolarHBondContact O-CG1 3.37Å; I1252-I1256 PolarHBondContact O-N 3.06Å; I1252-I1275 HydrophobicContact CG2-CD1 3.91Å; I1252-M1308 HydrophobicContact CD1-CE 3.79Å |
| 1253 | T | 60.6 | Low | 54.1 | Low | 10.8 Ų | 10.8 | 66.6 Ų | 66.6 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.8 | -40.3 | 177.6 | -54.2 | 0 | 0 | 0 | 0 | 111.9 | L1249 L1250 E1251 I1255 I1256 K1257 I1275 | L1249-T1253 VanDerWaalsContact O-CB 3.31Å; L1249-T1253 WeakPolarHBondContact O-CB 3.33Å; L1249-T1253 PolarHBondContact O-N 3.23Å; L1249-T1253 PolarHBondContact O-OG1 3.14Å; L1250-T1253 PolarHBondContact O-N 3.01Å; E1251-T1253 VanDerWaalsContact C-N 3.33Å; E1251-T1253 PolarHBondContact O-N 3.14Å; T1253-I1255 PolarHBondContact O-N 2.93Å; T1253-I1256 PolarHBondContact O-N 3.06Å; T1253-K1257 HydrophobicContact CG2-CD 3.92Å; T1253-K1257 HydrophobicContact CG2-CG 4.39Å; T1253-K1257 VanDerWaalsContact O-CB 3.31Å; T1253-K1257 WeakPolarHBondContact O-CB 3.37Å; T1253-K1257 VanDerWaalsContact O-CG 3.3Å; T1253-K1257 WeakPolarHBondContact O-CG 3.32Å; T1253-K1257 PolarHBondContact O-N 3.2Å; T1253-K1257 VanDerWaalsContact O-N 3.12Å; T1253-I1275 WeakPolarHBondContact OG1-CG2 3.41Å |
| 1254 | K | 62.4 | Low | 53.1 | Low | 140.6 Ų | 140.6 | 66.5 Ų | 66.5 | 61% | 0.611 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62 | -46.9 | 173.2 | -82.3 | 173.3 | 179.7 | 174.2 | 0 | 111.5 | L1250 E1251 I1252 I1256 K1257 T1258 | L1250-K1254 WeakPolarHBondContact O-CB 3.26Å; L1250-K1254 WeakPolarHBondContact O-CD 3.34Å; L1250-K1254 VanDerWaalsContact O-CG 3.29Å; L1250-K1254 WeakPolarHBondContact O-CG 3.31Å; L1250-K1254 PolarHBondContact O-N 3.13Å; L1250-K1254 VanDerWaalsContact O-N 3.13Å; E1251-K1254 CarbonylContact O-C 3.55Å; E1251-K1254 WeakPolarHBondContact O-CB 3.34Å; E1251-K1254 PolarHBondContact O-N 3.11Å; E1251-K1254 VanDerWaalsContact O-N 3.15Å; I1252-K1254 VanDerWaalsContact C-N 3.32Å; I1252-K1254 PolarHBondContact O-N 3.22Å; K1254-I1256 VanDerWaalsContact C-N 3.31Å; K1254-I1256 PolarHBondContact O-N 3.34Å; K1254-K1257 CarbonylContact O-C 3.23Å; K1254-K1257 PolarHBondContact O-N 3.1Å; K1254-T1258 VanDerWaalsContact O-CB 3.27Å; K1254-T1258 WeakPolarHBondContact O-CB 3.36Å; K1254-T1258 VanDerWaalsContact O-CG2 3.27Å; K1254-T1258 WeakPolarHBondContact O-CG2 3.38Å; K1254-T1258 PolarHBondContact O-N 3.17Å; K1254-T1258 PolarHBondContact O-OG1 3.04Å; K1254-T1258 VanDerWaalsContact O-OG1 3.09Å |
| 1255 | I | 53.1 | Low | 52.3 | Low | 55 Ų | 55 | 61.7 Ų | 61.7 | 28% | 0.282 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.6 | -45.2 | -179.5 | -67.7 | 159.5 | 0 | 0 | 0 | 110.6 | K936 W1195 E1251 I1252 T1253 K1257 T1258 D1259 T1262 | K936-I1255 HydrophobicContact CD-CG1 4.21Å; W1195-I1255 HydrophobicContact CD2-CD1 3.6Å; W1195-I1255 HydrophobicContact CE3-CD1 3.95Å; W1195-I1255 HydrophobicContact CG-CD1 4.27Å; W1195-I1255 HydrophobicContact CH2-CD1 3.6Å; W1195-I1255 HydrophobicContact CH2-CG2 4.14Å; W1195-I1255 HydrophobicContact CZ2-CD1 3.19Å; W1195-I1255 HydrophobicContact CZ2-CG1 4.45Å; W1195-I1255 HydrophobicContact CZ2-CG2 3.64Å; W1195-I1255 HydrophobicContact CZ3-CD1 3.94Å; E1251-I1255 WeakPolarHBondContact O-CB 3.41Å; E1251-I1255 WeakPolarHBondContact O-CD1 3.19Å; E1251-I1255 VanDerWaalsContact O-CG1 3.29Å; E1251-I1255 WeakPolarHBondContact O-CG1 3.27Å; E1251-I1255 PolarHBondContact O-N 3.12Å; E1251-I1255 VanDerWaalsContact O-N 3.09Å; I1252-I1255 WeakPolarHBondContact O-CB 3.4Å; I1252-I1255 PolarHBondContact O-N 3.04Å; I1252-I1255 VanDerWaalsContact O-N 3.16Å; T1253-I1255 PolarHBondContact O-N 2.93Å; I1255-K1257 VanDerWaalsContact C-N 3.34Å; I1255-K1257 PolarHBondContact O-N 3.2Å; I1255-T1258 WeakPolarHBondContact CA-OG1 3.16Å; I1255-T1258 PolarHBondContact O-N 3.28Å; I1255-T1258 PolarHBondContact O-OG1 2.87Å; I1255-D1259 HydrophobicContact CG2-CB 4.11Å; I1255-D1259 VanDerWaalsContact O-CB 3.23Å; I1255-D1259 WeakPolarHBondContact O-CB 3.3Å; I1255-D1259 PolarHBondContact O-N 2.96Å; I1255-D1259 VanDerWaalsContact O-N 3.12Å; I1255-T1262 HydrophobicContact CG2-CG2 3.89Å; I1255-T1262 WeakPolarHBondContact O-CG2 3.42Å; I1255-T1262 PolarHBondContact O-OG1 3.35Å |
| 1256 | I | 51.8 | Low | 51.6 | Low | 4.2 Ų | 4.2 | 64.8 Ų | 64.8 | 2% | 0.022 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 175.2 | -64.1 | 164.1 | 0 | 0 | 0 | 111.3 | W1195 I1252 T1253 K1254 T1262 F1265 K1268 L1271 I1275 L1311 | W1195-I1256 HydrophobicContact CH2-CG1 4Å; W1195-I1256 HydrophobicContact CZ2-CG1 3.89Å; I1252-I1256 HydrophobicContact CG2-CD1 3.69Å; I1252-I1256 HydrophobicContact CG2-CG1 4.42Å; I1252-I1256 WeakPolarHBondContact O-CB 3.21Å; I1252-I1256 WeakPolarHBondContact O-CD1 3.46Å; I1252-I1256 VanDerWaalsContact O-CG1 3.27Å; I1252-I1256 WeakPolarHBondContact O-CG1 3.37Å; I1252-I1256 PolarHBondContact O-N 3.06Å; T1253-I1256 PolarHBondContact O-N 3.06Å; K1254-I1256 VanDerWaalsContact C-N 3.31Å; K1254-I1256 PolarHBondContact O-N 3.34Å; I1256-T1262 PolarHBondContact O-OG1 3.09Å; I1256-F1265 HydrophobicContact CD1-CD2 4.31Å; I1256-F1265 HydrophobicContact CD1-CE2 4.15Å; I1256-F1265 HydrophobicContact CG1-CD2 3.82Å; I1256-F1265 HydrophobicContact CG1-CE2 3.76Å; I1256-K1268 HydrophobicContact CG2-CB 4.26Å; I1256-K1268 HydrophobicContact CG2-CD 4.25Å; I1256-K1268 HydrophobicContact CG2-CG 4.03Å; I1256-K1268 WeakPolarHBondContact O-CD 3.31Å; I1256-K1268 VanDerWaalsContact O-CE 3.28Å; I1256-K1268 WeakPolarHBondContact O-CE 3.25Å; I1256-K1268 PolarHBondContact O-NZ 3.02Å; I1256-L1271 HydrophobicContact CD1-CB 4.41Å; I1256-L1271 HydrophobicContact CD1-CD2 3.68Å; I1256-L1271 VanDerWaalsContact CD1-CD2 3.41Å; I1256-L1271 HydrophobicContact CD1-CG 3.7Å; I1256-L1271 HydrophobicContact CG1-CD2 4.13Å; I1256-L1271 HydrophobicContact CG2-CB 4.49Å; I1256-I1275 HydrophobicContact CD1-CD1 3.92Å; I1256-L1311 HydrophobicContact CD1-CD2 4.29Å |
| 1257 | K | 54.2 | Low | 50.8 | Low | 111.4 Ų | 111.4 | 65.3 Ų | 65.3 | 48% | 0.484 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -74.2 | -31.4 | -179.6 | -72 | 178.8 | -177.5 | 175.3 | 0 | 113.4 | T1253 K1254 I1255 S1272 E1276 | T1253-K1257 HydrophobicContact CG2-CD 3.92Å; T1253-K1257 HydrophobicContact CG2-CG 4.39Å; T1253-K1257 VanDerWaalsContact O-CB 3.31Å; T1253-K1257 WeakPolarHBondContact O-CB 3.37Å; T1253-K1257 VanDerWaalsContact O-CG 3.3Å; T1253-K1257 WeakPolarHBondContact O-CG 3.32Å; T1253-K1257 PolarHBondContact O-N 3.2Å; T1253-K1257 VanDerWaalsContact O-N 3.12Å; K1254-K1257 CarbonylContact O-C 3.23Å; K1254-K1257 PolarHBondContact O-N 3.1Å; I1255-K1257 VanDerWaalsContact C-N 3.34Å; I1255-K1257 PolarHBondContact O-N 3.2Å; K1257-S1272 VanDerWaalsContact CE-CB 3.41Å; K1257-S1272 WeakPolarHBondContact CE-OG 3.3Å; K1257-S1272 PolarHBondContact NZ-OG 3.19Å; K1257-E1276 IonicContact NZ-OE2 2.85Å; K1257-E1276 PolarHBondContact NZ-OE2 3.33Å |
| 1258 | T | 49.2 | Very low | 50.1 | Low | 106.2 Ų | 106.2 | 64.4 Ų | 64.4 | 65% | 0.652 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -94.9 | -30 | -172.7 | 56.1 | 0 | 0 | 0 | 0 | 116.1 | K1254 I1255 E1260 | K1254-T1258 VanDerWaalsContact O-CB 3.27Å; K1254-T1258 WeakPolarHBondContact O-CB 3.36Å; K1254-T1258 VanDerWaalsContact O-CG2 3.27Å; K1254-T1258 WeakPolarHBondContact O-CG2 3.38Å; K1254-T1258 PolarHBondContact O-N 3.17Å; K1254-T1258 PolarHBondContact O-OG1 3.04Å; K1254-T1258 VanDerWaalsContact O-OG1 3.09Å; I1255-T1258 WeakPolarHBondContact CA-OG1 3.16Å; I1255-T1258 PolarHBondContact O-N 3.28Å; I1255-T1258 PolarHBondContact O-OG1 2.87Å; T1258-E1260 PolarHBondContact O-N 3.11Å |
| 1259 | D | 44.2 | Very low | 49.7 | Very low | 46.6 Ų | 46.6 | 68.5 Ų | 68.5 | 25% | 0.249 | 33% | 0.334 | C | S | . | . | trans | -87.5 | 112.5 | -177.1 | -153.7 | -19.2 | 0 | 0 | 0 | 110.5 | K936 W1195 I1255 K1261 T1262 K1268 | K936-D1259 IonicContact NZ-OD2 2.7Å; K936-D1259 PolarHBondContact NZ-OD2 3.5Å; W1195-D1259 PolarHBondContact NE1-OD2 2.82Å; I1255-D1259 HydrophobicContact CG2-CB 4.11Å; I1255-D1259 VanDerWaalsContact O-CB 3.23Å; I1255-D1259 WeakPolarHBondContact O-CB 3.3Å; I1255-D1259 PolarHBondContact O-N 2.96Å; I1255-D1259 VanDerWaalsContact O-N 3.12Å; D1259-K1261 PolarHBondContact O-N 3.31Å; D1259-K1261 VanDerWaalsContact O-N 3.15Å; D1259-K1261 VanDerWaalsContact OD1-CB 3.29Å; D1259-K1261 WeakPolarHBondContact OD1-CB 3.37Å; D1259-K1261 WeakPolarHBondContact OD1-CD 3.47Å; D1259-K1261 VanDerWaalsContact OD1-CG 3.23Å; D1259-K1261 WeakPolarHBondContact OD1-CG 3.39Å; D1259-K1261 PolarHBondContact OD1-N 3.13Å; D1259-T1262 HydrophobicContact CB-CG2 3.81Å; D1259-T1262 PolarHBondContact O-N 3.05Å; D1259-T1262 VanDerWaalsContact O-N 3.13Å; D1259-T1262 PolarHBondContact O-OG1 2.96Å; D1259-T1262 WeakPolarHBondContact OD2-CG2 3.46Å; D1259-K1268 WeakPolarHBondContact O-CE 3.2Å; D1259-K1268 PolarHBondContact O-NZ 3.15Å | ||
| 1260 | E | 41 | Very low | 49 | Very low | 173.2 Ų | 173.2 | 72.6 Ų | 72.6 | 81% | 0.809 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -56.5 | -29.4 | 173.3 | -68.5 | -173.8 | 139.3 | 0 | 0 | 111.8 | T1258 T1262 S1263 | T1258-E1260 PolarHBondContact O-N 3.11Å; E1260-T1262 VanDerWaalsContact C-N 3.3Å; E1260-T1262 PolarHBondContact O-N 3.2Å; E1260-S1263 VanDerWaalsContact O-CB 3.24Å; E1260-S1263 WeakPolarHBondContact O-CB 3.39Å; E1260-S1263 PolarHBondContact O-N 3.07Å; E1260-S1263 PolarHBondContact O-OG 2.91Å |
| 1261 | K | 39.8 | Very low | 48.3 | Very low | 95.2 Ų | 95.2 | 69.6 Ų | 69.6 | 41% | 0.414 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -73.6 | -14.2 | -178.8 | -64 | -178 | -172.9 | -163.1 | 0 | 114.3 | P1190 V1191 L1192 H1193 D1259 S1263 F1264 | P1190-K1261 HydrophobicContact CB-CD 3.89Å; P1190-K1261 HydrophobicContact CG-CD 3.68Å; P1190-K1261 PolarHBondContact O-NZ 3.09Å; V1191-K1261 VanDerWaalsContact O-CE 3.28Å; V1191-K1261 WeakPolarHBondContact O-CE 3.45Å; V1191-K1261 PolarHBondContact O-NZ 2.84Å; L1192-K1261 VanDerWaalsContact CA-NZ 3.28Å; H1193-K1261 HydrophobicContact CB-CB 4.15Å; H1193-K1261 WeakPolarHBondContact CB-O 3.17Å; H1193-K1261 WeakPolarHBondContact CD2-CG 3.34Å; H1193-K1261 WeakPolarHBondContact NE2-CD 3.38Å; H1193-K1261 PolarHBondContact NE2-NZ 2.95Å; D1259-K1261 PolarHBondContact O-N 3.31Å; D1259-K1261 VanDerWaalsContact O-N 3.15Å; D1259-K1261 VanDerWaalsContact OD1-CB 3.29Å; D1259-K1261 WeakPolarHBondContact OD1-CB 3.37Å; D1259-K1261 WeakPolarHBondContact OD1-CD 3.47Å; D1259-K1261 VanDerWaalsContact OD1-CG 3.23Å; D1259-K1261 WeakPolarHBondContact OD1-CG 3.39Å; D1259-K1261 PolarHBondContact OD1-N 3.13Å; K1261-S1263 VanDerWaalsContact C-N 3.32Å; K1261-S1263 PolarHBondContact O-N 2.97Å; K1261-S1263 VanDerWaalsContact O-N 3.09Å; K1261-F1264 WeakPolarHBondContact O-CD1 3.2Å; K1261-F1264 WeakPolarHBondContact O-CE1 3.31Å |
| 1262 | T | 39.8 | Very low | 48.1 | Very low | 6 Ų | 6 | 64.5 Ų | 64.5 | 4% | 0.037 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -77.6 | 14.5 | 172.1 | 54.7 | 0 | 0 | 0 | 0 | 113.4 | W1195 I1255 I1256 D1259 E1260 F1264 F1265 K1268 | W1195-T1262 HydrophobicContact CH2-CG2 4.31Å; W1195-T1262 HydrophobicContact CZ2-CG2 3.47Å; W1195-T1262 VanDerWaalsContact NE1-CG2 3.31Å; I1255-T1262 HydrophobicContact CG2-CG2 3.89Å; I1255-T1262 WeakPolarHBondContact O-CG2 3.42Å; I1255-T1262 PolarHBondContact O-OG1 3.35Å; I1256-T1262 PolarHBondContact O-OG1 3.09Å; D1259-T1262 HydrophobicContact CB-CG2 3.81Å; D1259-T1262 PolarHBondContact O-N 3.05Å; D1259-T1262 VanDerWaalsContact O-N 3.13Å; D1259-T1262 PolarHBondContact O-OG1 2.96Å; D1259-T1262 WeakPolarHBondContact OD2-CG2 3.46Å; E1260-T1262 VanDerWaalsContact C-N 3.3Å; E1260-T1262 PolarHBondContact O-N 3.2Å; T1262-F1264 PolarHBondContact O-N 3.12Å; T1262-F1264 VanDerWaalsContact O-N 3.13Å; T1262-F1265 HydrophobicContact CG2-CE2 4.42Å; T1262-F1265 WeakPolarHBondContact O-CD2 3.39Å; T1262-F1265 PolarHBondContact O-N 3.31Å; T1262-F1265 VanDerWaalsContact O-N 3.17Å; T1262-K1268 WeakPolarHBondContact O-CE 3.37Å; T1262-K1268 VanDerWaalsContact OG1-CE 3.26Å; T1262-K1268 WeakPolarHBondContact OG1-CE 3.38Å; T1262-K1268 PolarHBondContact OG1-NZ 3.24Å |
| 1263 | S | 39.1 | Very low | 47.9 | Very low | 60.4 Ų | 60.4 | 67.5 Ų | 67.5 | 42% | 0.422 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -58.2 | -14.8 | 177.6 | 57.6 | 0 | 0 | 0 | 0 | 115.4 | S1109 R1169 E1260 K1261 F1265 | S1109-S1263 WeakPolarHBondContact CB-O 3.41Å; S1109-S1263 PolarHBondContact OG-O 2.76Å; R1169-S1263 PolarHBondContact NH1-OG 3.37Å; E1260-S1263 VanDerWaalsContact O-CB 3.24Å; E1260-S1263 WeakPolarHBondContact O-CB 3.39Å; E1260-S1263 PolarHBondContact O-N 3.07Å; E1260-S1263 PolarHBondContact O-OG 2.91Å; K1261-S1263 VanDerWaalsContact C-N 3.32Å; K1261-S1263 PolarHBondContact O-N 2.97Å; K1261-S1263 VanDerWaalsContact O-N 3.09Å; S1263-F1265 VanDerWaalsContact C-N 3.32Å; S1263-F1265 PolarHBondContact O-N 3.19Å |
| 1264 | F | 37.8 | Very low | 47.5 | Very low | 87.2 Ų | 87.2 | 67.6 Ų | 67.6 | 38% | 0.382 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -68.6 | -26.8 | 177 | -148.5 | -94.1 | 0 | 0 | 0 | 113.7 | I1166 K1261 T1262 Q1266 N1318 H1319 | I1166-F1264 HydrophobicContact CD1-CD2 4.01Å; I1166-F1264 HydrophobicContact CD1-CE2 3.89Å; I1166-F1264 HydrophobicContact CD1-CZ 3.74Å; I1166-F1264 HydrophobicContact CG1-CE2 3.54Å; I1166-F1264 HydrophobicContact CG1-CZ 3.69Å; K1261-F1264 WeakPolarHBondContact O-CD1 3.2Å; K1261-F1264 WeakPolarHBondContact O-CE1 3.31Å; T1262-F1264 PolarHBondContact O-N 3.12Å; T1262-F1264 VanDerWaalsContact O-N 3.13Å; F1264-Q1266 PolarHBondContact O-N 3.02Å; F1264-Q1266 VanDerWaalsContact O-N 3.14Å; F1264-N1318 WeakPolarHBondContact CD2-ND2 3.43Å; F1264-N1318 WeakPolarHBondContact CE1-ND2 3.41Å; F1264-N1318 HydrophobicContact CE2-CB 4.25Å; F1264-N1318 WeakPolarHBondContact CE2-ND2 3.46Å; F1264-N1318 HydrophobicContact CZ-CB 4.42Å; F1264-N1318 WeakPolarHBondContact CZ-ND2 3.49Å; F1264-H1319 AromaticContact CE1-CD2 3.91Å; F1264-H1319 AromaticContact CE1-CE1 3.33Å; F1264-H1319 WeakPolarHBondContact CE1-CE1 3.21Å; F1264-H1319 AromaticContact CE1-ND1 3.75Å; F1264-H1319 AromaticContact CE1-NE2 3.43Å; F1264-H1319 WeakPolarHBondContact CE1-NE2 3.48Å; F1264-H1319 AromaticContact CE2-CE1 3.61Å; F1264-H1319 AromaticContact CE2-ND1 3.96Å; F1264-H1319 AromaticContact CE2-NE2 3.75Å; F1264-H1319 AromaticContact CZ-CD2 3.92Å; F1264-H1319 AromaticContact CZ-CE1 3.67Å; F1264-H1319 VanDerWaalsContact CZ-CE1 3.49Å; F1264-H1319 WeakPolarHBondContact CZ-CE1 3.45Å; F1264-H1319 AromaticContact CZ-CG 3.87Å; F1264-H1319 AromaticContact CZ-ND1 3.4Å; F1264-H1319 WeakPolarHBondContact CZ-ND1 3.39Å; F1264-H1319 AromaticContact CZ-NE2 3.45Å; F1264-H1319 WeakPolarHBondContact CZ-NE2 3.2Å |
| 1265 | F | 41.2 | Very low | 47.2 | Very low | 19.4 Ų | 19.4 | 61 Ų | 61 | 9% | 0.085 | 30% | 0.3 | C | S | . | . | trans | -74.1 | 103.6 | 169.1 | -70.4 | -70.9 | 0 | 0 | 0 | 108.9 | W1195 L1200 I1256 T1262 S1263 D1267 K1268 L1271 L1311 N1312 L1315 N1318 | W1195-F1265 HydrophobicContact CE3-CE2 4.39Å; W1195-F1265 HydrophobicContact CH2-CD2 4.09Å; W1195-F1265 AromaticContact CH2-CE2 3.7Å; W1195-F1265 HydrophobicContact CH2-CE2 3.7Å; W1195-F1265 HydrophobicContact CH2-CZ 4.17Å; W1195-F1265 HydrophobicContact CZ2-CD2 4.11Å; W1195-F1265 HydrophobicContact CZ2-CE2 4.26Å; W1195-F1265 AromaticContact CZ3-CE2 3.76Å; W1195-F1265 HydrophobicContact CZ3-CE2 3.76Å; W1195-F1265 AromaticContact CZ3-CZ 3.72Å; W1195-F1265 HydrophobicContact CZ3-CZ 3.72Å; L1200-F1265 HydrophobicContact CD1-CE2 4.01Å; L1200-F1265 HydrophobicContact CD1-CZ 4.08Å; I1256-F1265 HydrophobicContact CD1-CD2 4.31Å; I1256-F1265 HydrophobicContact CD1-CE2 4.15Å; I1256-F1265 HydrophobicContact CG1-CD2 3.82Å; I1256-F1265 HydrophobicContact CG1-CE2 3.76Å; T1262-F1265 HydrophobicContact CG2-CE2 4.42Å; T1262-F1265 WeakPolarHBondContact O-CD2 3.39Å; T1262-F1265 PolarHBondContact O-N 3.31Å; T1262-F1265 VanDerWaalsContact O-N 3.17Å; S1263-F1265 VanDerWaalsContact C-N 3.32Å; S1263-F1265 PolarHBondContact O-N 3.19Å; F1265-D1267 HydrophobicContact CB-CB 4.31Å; F1265-D1267 HydrophobicContact CD1-CB 4.37Å; F1265-D1267 PolarHBondContact O-N 3.14Å; F1265-D1267 VanDerWaalsContact O-N 3.11Å; F1265-K1268 HydrophobicContact CB-CG 4.27Å; F1265-K1268 WeakPolarHBondContact O-CB 3.21Å; F1265-K1268 WeakPolarHBondContact O-CG 3.47Å; F1265-K1268 PolarHBondContact O-N 3.09Å; F1265-K1268 VanDerWaalsContact O-N 3.12Å; F1265-L1271 HydrophobicContact CB-CD1 3.7Å; F1265-L1271 HydrophobicContact CD1-CD1 3.88Å; F1265-L1271 HydrophobicContact CD1-CD2 3.94Å; F1265-L1271 HydrophobicContact CD1-CG 4.43Å; F1265-L1271 HydrophobicContact CD2-CD1 4.3Å; F1265-L1271 HydrophobicContact CD2-CD2 4.44Å; F1265-L1271 HydrophobicContact CE1-CD1 4.39Å; F1265-L1271 HydrophobicContact CE1-CD2 3.82Å; F1265-L1271 HydrophobicContact CE2-CD2 4.48Å; F1265-L1271 HydrophobicContact CG-CD1 3.61Å; F1265-L1271 HydrophobicContact CG-CD2 4.21Å; F1265-L1271 HydrophobicContact CZ-CD2 4.23Å; F1265-L1311 HydrophobicContact CD1-CD1 4.46Å; F1265-L1311 HydrophobicContact CE1-CD1 4.15Å; F1265-L1311 HydrophobicContact CZ-CD1 4.44Å; F1265-N1312 HydrophobicContact CE1-CB 4.43Å; F1265-N1312 WeakPolarHBondContact CE1-OD1 3.36Å; F1265-L1315 HydrophobicContact CD1-CD1 3.87Å; F1265-L1315 HydrophobicContact CD2-CD2 4.02Å; F1265-L1315 HydrophobicContact CE1-CD1 3.74Å; F1265-L1315 HydrophobicContact CE2-CD2 3.42Å; F1265-L1315 VanDerWaalsContact CE2-CD2 3.47Å; F1265-L1315 HydrophobicContact CE2-CG 4.14Å; F1265-L1315 HydrophobicContact CZ-CD2 3.65Å; F1265-L1315 HydrophobicContact CZ-CG 3.86Å; F1265-N1318 HydrophobicContact CZ-CB 4.33Å; F1265-N1318 WeakPolarHBondContact CZ-ND2 3.44Å | ||
| 1266 | Q | 42.6 | Very low | 47.7 | Very low | 85.4 Ų | 85.4 | 62.5 Ų | 62.5 | 40% | 0.399 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -25.9 | 177.8 | -71.5 | -172.6 | -32.9 | 0 | 0 | 112.6 | S1109 C1110 M1161 L1163 L1164 F1264 K1268 L1315 | S1109-Q1266 PolarHBondContact O-NE2 2.86Å; S1109-Q1266 WeakPolarHBondContact OG-CG 3.35Å; S1109-Q1266 PolarHBondContact OG-NE2 3.49Å; S1109-Q1266 PolarHBondContact OG-O 3.14Å; C1110-Q1266 VanDerWaalsContact C-CD 3.48Å; C1110-Q1266 HydrophobicContact CB-CB 4.06Å; C1110-Q1266 HydrophobicContact CB-CG 3.64Å; C1110-Q1266 WeakPolarHBondContact CB-O 3.47Å; C1110-Q1266 VanDerWaalsContact N-NE2 3.12Å; C1110-Q1266 PolarHBondContact N-O 3.46Å; C1110-Q1266 VanDerWaalsContact O-CD 3.24Å; C1110-Q1266 PolarHBondContact O-NE2 2.98Å; C1110-Q1266 PolarHBondContact O-OE1 3.45Å; C1110-Q1266 PolarHBondContact SG-O 3.43Å; C1110-Q1266 PolarHBondContact SG-OE1 3.07Å; M1161-Q1266 HydrophobicContact CE-CB 3.77Å; L1163-Q1266 HydrophobicContact CD2-CB 3.91Å; L1164-Q1266 PolarHBondContact O-NE2 2.84Å; F1264-Q1266 PolarHBondContact O-N 3.02Å; F1264-Q1266 VanDerWaalsContact O-N 3.14Å; Q1266-K1268 PolarHBondContact O-N 3.04Å; Q1266-K1268 VanDerWaalsContact O-N 3.11Å; Q1266-L1315 HydrophobicContact CB-CD1 4.12Å; Q1266-L1315 HydrophobicContact CG-CD1 3.95Å; Q1266-L1315 VanDerWaalsContact OE1-CD1 3.25Å |
| 1267 | D | 47 | Very low | 47.9 | Very low | 53.4 Ų | 53.4 | 67.3 Ų | 67.3 | 29% | 0.286 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 50.9 | 170 | -91.6 | -44.3 | 0 | 0 | 0 | 112.3 | M1161 F1265 Q1269 Y1270 L1271 | M1161-D1267 WeakPolarHBondContact CE-OD2 3.18Å; M1161-D1267 HydrophobicContact SD-CB 4.28Å; F1265-D1267 HydrophobicContact CB-CB 4.31Å; F1265-D1267 HydrophobicContact CD1-CB 4.37Å; F1265-D1267 PolarHBondContact O-N 3.14Å; F1265-D1267 VanDerWaalsContact O-N 3.11Å; D1267-Q1269 CarbonylContact O-C 3.54Å; D1267-Q1269 PolarHBondContact O-N 3.11Å; D1267-Q1269 VanDerWaalsContact O-N 3.1Å; D1267-Q1269 VanDerWaalsContact OD1-CA 3.26Å; D1267-Q1269 WeakPolarHBondContact OD1-CA 3.41Å; D1267-Q1269 VanDerWaalsContact OD1-CB 3.24Å; D1267-Q1269 WeakPolarHBondContact OD1-CB 3.49Å; D1267-Q1269 PolarHBondContact OD1-N 3.04Å; D1267-Q1269 VanDerWaalsContact OD1-N 3.14Å; D1267-Y1270 HydrophobicContact CB-CD1 4.39Å; D1267-Y1270 HydrophobicContact CB-CG 4.48Å; D1267-Y1270 CarbonylContact O-C 3.43Å; D1267-Y1270 WeakPolarHBondContact O-CB 3.4Å; D1267-Y1270 PolarHBondContact O-N 3.04Å; D1267-Y1270 VanDerWaalsContact O-N 3.14Å; D1267-Y1270 PolarHBondContact OD1-N 2.77Å; D1267-Y1270 VanDerWaalsContact OD2-CB 3.28Å; D1267-Y1270 WeakPolarHBondContact OD2-CB 3.3Å; D1267-Y1270 PolarHBondContact OD2-N 3.01Å; D1267-L1271 HydrophobicContact CB-CD1 3.68Å; D1267-L1271 WeakPolarHBondContact O-CA 3.44Å; D1267-L1271 VanDerWaalsContact O-CB 3.29Å; D1267-L1271 WeakPolarHBondContact O-CB 3.31Å; D1267-L1271 WeakPolarHBondContact O-CG 3.32Å; D1267-L1271 PolarHBondContact O-N 3.18Å |
| 1268 | K | 48.5 | Very low | 48 | Very low | 59.6 Ų | 59.6 | 62.2 Ų | 62.2 | 26% | 0.259 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -51.7 | -34.1 | 170.2 | -93.5 | -156.7 | -178.2 | -164.1 | 0 | 112.2 | I1256 D1259 T1262 F1265 Q1266 S1272 | I1256-K1268 HydrophobicContact CG2-CB 4.26Å; I1256-K1268 HydrophobicContact CG2-CD 4.25Å; I1256-K1268 HydrophobicContact CG2-CG 4.03Å; I1256-K1268 WeakPolarHBondContact O-CD 3.31Å; I1256-K1268 VanDerWaalsContact O-CE 3.28Å; I1256-K1268 WeakPolarHBondContact O-CE 3.25Å; I1256-K1268 PolarHBondContact O-NZ 3.02Å; D1259-K1268 WeakPolarHBondContact O-CE 3.2Å; D1259-K1268 PolarHBondContact O-NZ 3.15Å; T1262-K1268 WeakPolarHBondContact O-CE 3.37Å; T1262-K1268 VanDerWaalsContact OG1-CE 3.26Å; T1262-K1268 WeakPolarHBondContact OG1-CE 3.38Å; T1262-K1268 PolarHBondContact OG1-NZ 3.24Å; F1265-K1268 HydrophobicContact CB-CG 4.27Å; F1265-K1268 WeakPolarHBondContact O-CB 3.21Å; F1265-K1268 WeakPolarHBondContact O-CG 3.47Å; F1265-K1268 PolarHBondContact O-N 3.09Å; F1265-K1268 VanDerWaalsContact O-N 3.12Å; Q1266-K1268 PolarHBondContact O-N 3.04Å; Q1266-K1268 VanDerWaalsContact O-N 3.11Å; K1268-S1272 WeakPolarHBondContact O-CB 3.32Å; K1268-S1272 PolarHBondContact O-N 3.17Å; K1268-S1272 VanDerWaalsContact O-N 3.17Å |
| 1269 | Q | 48.1 | Very low | 48.5 | Very low | 124.6 Ų | 124.6 | 57.8 Ų | 57.8 | 58% | 0.582 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -72.1 | -57 | 176.6 | -161.6 | 63.3 | 48.8 | 0 | 0 | 109.9 | D1267 L1271 S1272 D1273 | D1267-Q1269 CarbonylContact O-C 3.54Å; D1267-Q1269 PolarHBondContact O-N 3.11Å; D1267-Q1269 VanDerWaalsContact O-N 3.1Å; D1267-Q1269 VanDerWaalsContact OD1-CA 3.26Å; D1267-Q1269 WeakPolarHBondContact OD1-CA 3.41Å; D1267-Q1269 VanDerWaalsContact OD1-CB 3.24Å; D1267-Q1269 WeakPolarHBondContact OD1-CB 3.49Å; D1267-Q1269 PolarHBondContact OD1-N 3.04Å; D1267-Q1269 VanDerWaalsContact OD1-N 3.14Å; Q1269-L1271 VanDerWaalsContact C-N 3.3Å; Q1269-L1271 PolarHBondContact O-N 3.14Å; Q1269-S1272 CarbonylContact O-C 3.56Å; Q1269-S1272 WeakPolarHBondContact O-CA 3.47Å; Q1269-S1272 VanDerWaalsContact O-CB 3.28Å; Q1269-S1272 WeakPolarHBondContact O-CB 3.34Å; Q1269-S1272 PolarHBondContact O-N 3.04Å; Q1269-S1272 VanDerWaalsContact O-N 3.08Å; Q1269-D1273 WeakPolarHBondContact CG-OD2 3.32Å; Q1269-D1273 PolarHBondContact NE2-OD1 3.01Å; Q1269-D1273 PolarHBondContact NE2-OD2 2.9Å; Q1269-D1273 WeakPolarHBondContact O-CB 3.43Å; Q1269-D1273 PolarHBondContact O-N 3.14Å |
| 1270 | Y | 46.6 | Very low | 49.4 | Very low | 89.4 Ų | 89.4 | 59.1 Ų | 59.1 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.9 | -36.3 | 178.7 | -179.3 | -99.1 | 0 | 0 | 0 | 113.9 | D1267 D1273 S1274 L1311 L1434 | D1267-Y1270 HydrophobicContact CB-CD1 4.39Å; D1267-Y1270 HydrophobicContact CB-CG 4.48Å; D1267-Y1270 CarbonylContact O-C 3.43Å; D1267-Y1270 WeakPolarHBondContact O-CB 3.4Å; D1267-Y1270 PolarHBondContact O-N 3.04Å; D1267-Y1270 VanDerWaalsContact O-N 3.14Å; D1267-Y1270 PolarHBondContact OD1-N 2.77Å; D1267-Y1270 VanDerWaalsContact OD2-CB 3.28Å; D1267-Y1270 WeakPolarHBondContact OD2-CB 3.3Å; D1267-Y1270 PolarHBondContact OD2-N 3.01Å; Y1270-D1273 PolarHBondContact O-N 2.83Å; Y1270-S1274 VanDerWaalsContact CE1-OG 3.29Å; Y1270-S1274 WeakPolarHBondContact CE1-OG 3.4Å; Y1270-S1274 WeakPolarHBondContact O-CB 3.4Å; Y1270-S1274 PolarHBondContact O-N 3.19Å; Y1270-S1274 PolarHBondContact O-OG 2.98Å; Y1270-L1311 HydrophobicContact CD1-CD2 4.24Å; Y1270-L1311 HydrophobicContact CE1-CD1 4.26Å; Y1270-L1311 HydrophobicContact CE1-CD2 4.5Å; Y1270-L1434 HydrophobicContact CD1-CD1 4.49Å; Y1270-L1434 HydrophobicContact CD2-CD2 4.42Å; Y1270-L1434 HydrophobicContact CE1-CD1 3.65Å; Y1270-L1434 HydrophobicContact CE1-CG 4.3Å; Y1270-L1434 HydrophobicContact CE2-CD1 4.23Å; Y1270-L1434 HydrophobicContact CE2-CD2 4.05Å; Y1270-L1434 HydrophobicContact CE2-CG 3.97Å; Y1270-L1434 VanDerWaalsContact CZ-CD1 3.5Å; Y1270-L1434 WeakPolarHBondContact OH-CD1 3.42Å |
| 1271 | L | 51.1 | Low | 50.2 | Low | 12.6 Ų | 12.6 | 51.8 Ų | 51.8 | 7% | 0.066 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.8 | -40.9 | 174 | -120.7 | 95.6 | 0 | 0 | 0 | 111.8 | I1256 F1265 D1267 Q1269 I1275 M1308 L1311 L1315 | I1256-L1271 HydrophobicContact CD1-CB 4.41Å; I1256-L1271 HydrophobicContact CD1-CD2 3.68Å; I1256-L1271 VanDerWaalsContact CD1-CD2 3.41Å; I1256-L1271 HydrophobicContact CD1-CG 3.7Å; I1256-L1271 HydrophobicContact CG1-CD2 4.13Å; I1256-L1271 HydrophobicContact CG2-CB 4.49Å; F1265-L1271 HydrophobicContact CB-CD1 3.7Å; F1265-L1271 HydrophobicContact CD1-CD1 3.88Å; F1265-L1271 HydrophobicContact CD1-CD2 3.94Å; F1265-L1271 HydrophobicContact CD1-CG 4.43Å; F1265-L1271 HydrophobicContact CD2-CD1 4.3Å; F1265-L1271 HydrophobicContact CD2-CD2 4.44Å; F1265-L1271 HydrophobicContact CE1-CD1 4.39Å; F1265-L1271 HydrophobicContact CE1-CD2 3.82Å; F1265-L1271 HydrophobicContact CE2-CD2 4.48Å; F1265-L1271 HydrophobicContact CG-CD1 3.61Å; F1265-L1271 HydrophobicContact CG-CD2 4.21Å; F1265-L1271 HydrophobicContact CZ-CD2 4.23Å; D1267-L1271 HydrophobicContact CB-CD1 3.68Å; D1267-L1271 WeakPolarHBondContact O-CA 3.44Å; D1267-L1271 VanDerWaalsContact O-CB 3.29Å; D1267-L1271 WeakPolarHBondContact O-CB 3.31Å; D1267-L1271 WeakPolarHBondContact O-CG 3.32Å; D1267-L1271 PolarHBondContact O-N 3.18Å; Q1269-L1271 VanDerWaalsContact C-N 3.3Å; Q1269-L1271 PolarHBondContact O-N 3.14Å; L1271-I1275 HydrophobicContact CD1-CD1 3.83Å; L1271-I1275 HydrophobicContact CD1-CG1 4.09Å; L1271-I1275 HydrophobicContact CD2-CD1 4.49Å; L1271-I1275 HydrophobicContact CG-CD1 4.08Å; L1271-I1275 WeakPolarHBondContact O-CB 3.42Å; L1271-I1275 WeakPolarHBondContact O-CD1 3.38Å; L1271-I1275 WeakPolarHBondContact O-CG1 3.38Å; L1271-I1275 PolarHBondContact O-N 3.21Å; L1271-I1275 VanDerWaalsContact O-N 3.1Å; L1271-M1308 HydrophobicContact CD1-CE 4.16Å; L1271-M1308 HydrophobicContact CD1-CG 4.31Å; L1271-M1308 HydrophobicContact CD2-CE 3.78Å; L1271-M1308 HydrophobicContact CG-CE 3.95Å; L1271-M1308 HydrophobicContact CG-CG 4.24Å; L1271-M1308 HydrophobicContact CG-SD 4Å; L1271-L1311 HydrophobicContact CB-CD2 3.91Å; L1271-L1311 HydrophobicContact CD1-CD1 3.92Å; L1271-L1311 HydrophobicContact CD1-CD2 3.98Å; L1271-L1311 HydrophobicContact CD2-CD1 3.72Å; L1271-L1311 HydrophobicContact CD2-CD2 4.15Å; L1271-L1311 HydrophobicContact CD2-CG 4.44Å; L1271-L1311 HydrophobicContact CG-CD1 4.44Å; L1271-L1311 HydrophobicContact CG-CD2 4.26Å; L1271-L1315 HydrophobicContact CD2-CD1 4.31Å |
| 1272 | S | 55.3 | Low | 51 | Low | 4.4 Ų | 4.4 | 47.4 Ų | 47.4 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.8 | -53 | 170.5 | 165.2 | 0 | 0 | 0 | 0 | 110.3 | K1257 K1268 Q1269 S1274 I1275 E1276 | K1257-S1272 VanDerWaalsContact CE-CB 3.41Å; K1257-S1272 WeakPolarHBondContact CE-OG 3.3Å; K1257-S1272 PolarHBondContact NZ-OG 3.19Å; K1268-S1272 WeakPolarHBondContact O-CB 3.32Å; K1268-S1272 PolarHBondContact O-N 3.17Å; K1268-S1272 VanDerWaalsContact O-N 3.17Å; Q1269-S1272 CarbonylContact O-C 3.56Å; Q1269-S1272 WeakPolarHBondContact O-CA 3.47Å; Q1269-S1272 VanDerWaalsContact O-CB 3.28Å; Q1269-S1272 WeakPolarHBondContact O-CB 3.34Å; Q1269-S1272 PolarHBondContact O-N 3.04Å; Q1269-S1272 VanDerWaalsContact O-N 3.08Å; S1272-S1274 VanDerWaalsContact C-N 3.32Å; S1272-S1274 PolarHBondContact O-N 2.83Å; S1272-I1275 CarbonylContact O-C 3.57Å; S1272-I1275 PolarHBondContact O-N 3.02Å; S1272-I1275 VanDerWaalsContact O-N 3.11Å; S1272-E1276 VanDerWaalsContact O-CB 3.25Å; S1272-E1276 WeakPolarHBondContact O-CB 3.34Å; S1272-E1276 PolarHBondContact O-N 3.09Å |
| 1273 | D | 53 | Low | 52.1 | Low | 72.6 Ų | 72.6 | 52.6 Ų | 52.6 | 39% | 0.388 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69.2 | -34.9 | -171.7 | -59.5 | -11 | 0 | 0 | 0 | 110.8 | Q1269 Y1270 I1275 E1276 E1277 | Q1269-D1273 WeakPolarHBondContact CG-OD2 3.32Å; Q1269-D1273 PolarHBondContact NE2-OD1 3.01Å; Q1269-D1273 PolarHBondContact NE2-OD2 2.9Å; Q1269-D1273 WeakPolarHBondContact O-CB 3.43Å; Q1269-D1273 PolarHBondContact O-N 3.14Å; Y1270-D1273 PolarHBondContact O-N 2.83Å; D1273-I1275 PolarHBondContact O-N 2.87Å; D1273-E1276 PolarHBondContact O-N 3.12Å; D1273-E1277 VanDerWaalsContact O-CB 3.26Å; D1273-E1277 WeakPolarHBondContact O-CB 3.38Å; D1273-E1277 PolarHBondContact O-N 3.09Å |
| 1274 | S | 51.8 | Low | 53.2 | Low | 12.4 Ų | 12.4 | 56.2 Ų | 56.2 | 9% | 0.087 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 170.7 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | Y1270 S1272 E1276 E1277 V1278 | Y1270-S1274 VanDerWaalsContact CE1-OG 3.29Å; Y1270-S1274 WeakPolarHBondContact CE1-OG 3.4Å; Y1270-S1274 WeakPolarHBondContact O-CB 3.4Å; Y1270-S1274 PolarHBondContact O-N 3.19Å; Y1270-S1274 PolarHBondContact O-OG 2.98Å; S1272-S1274 VanDerWaalsContact C-N 3.32Å; S1272-S1274 PolarHBondContact O-N 2.83Å; S1274-E1276 VanDerWaalsContact C-N 3.34Å; S1274-E1277 PolarHBondContact O-N 3.14Å; S1274-V1278 WeakPolarHBondContact O-CB 3.37Å; S1274-V1278 VanDerWaalsContact O-CG2 3.31Å; S1274-V1278 WeakPolarHBondContact O-CG2 3.35Å; S1274-V1278 PolarHBondContact O-N 3.18Å |
| 1275 | I | 57 | Low | 54 | Low | 1.2 Ų | 1.2 | 53.7 Ų | 53.7 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.3 | -38.7 | 176.4 | -63 | 163 | 0 | 0 | 0 | 110.3 | L1249 I1252 T1253 I1256 L1271 S1272 D1273 E1277 V1278 I1279 M1308 L1311 | L1249-I1275 HydrophobicContact CB-CG2 3.81Å; L1249-I1275 HydrophobicContact CD1-CG2 4.45Å; L1249-I1275 HydrophobicContact CD2-CG1 4.35Å; L1249-I1275 HydrophobicContact CD2-CG2 4.06Å; L1249-I1275 HydrophobicContact CG-CG2 4.39Å; I1252-I1275 HydrophobicContact CG2-CD1 3.91Å; T1253-I1275 WeakPolarHBondContact OG1-CG2 3.41Å; I1256-I1275 HydrophobicContact CD1-CD1 3.92Å; L1271-I1275 HydrophobicContact CD1-CD1 3.83Å; L1271-I1275 HydrophobicContact CD1-CG1 4.09Å; L1271-I1275 HydrophobicContact CD2-CD1 4.49Å; L1271-I1275 HydrophobicContact CG-CD1 4.08Å; L1271-I1275 WeakPolarHBondContact O-CB 3.42Å; L1271-I1275 WeakPolarHBondContact O-CD1 3.38Å; L1271-I1275 WeakPolarHBondContact O-CG1 3.38Å; L1271-I1275 PolarHBondContact O-N 3.21Å; L1271-I1275 VanDerWaalsContact O-N 3.1Å; S1272-I1275 CarbonylContact O-C 3.57Å; S1272-I1275 PolarHBondContact O-N 3.02Å; S1272-I1275 VanDerWaalsContact O-N 3.11Å; D1273-I1275 PolarHBondContact O-N 2.87Å; I1275-E1277 VanDerWaalsContact C-N 3.33Å; I1275-E1277 PolarHBondContact O-N 3.43Å; I1275-V1278 CarbonylContact O-C 3.59Å; I1275-V1278 PolarHBondContact O-N 3.14Å; I1275-I1279 HydrophobicContact CG2-CD1 3.8Å; I1275-I1279 HydrophobicContact CG2-CG1 4.31Å; I1275-I1279 WeakPolarHBondContact O-CB 3.35Å; I1275-I1279 WeakPolarHBondContact O-CD1 3.15Å; I1275-I1279 VanDerWaalsContact O-CG1 3.26Å; I1275-I1279 WeakPolarHBondContact O-CG1 3.33Å; I1275-I1279 PolarHBondContact O-N 3.26Å; I1275-M1308 HydrophobicContact CB-CE 4.45Å; I1275-M1308 HydrophobicContact CB-SD 4.46Å; I1275-M1308 HydrophobicContact CD1-CE 3.75Å; I1275-M1308 HydrophobicContact CD1-SD 4.23Å; I1275-M1308 HydrophobicContact CG1-CE 3.61Å; I1275-M1308 VanDerWaalsContact CG1-CE 3.49Å; I1275-M1308 HydrophobicContact CG1-SD 3.86Å; I1275-M1308 HydrophobicContact CG2-CE 4.09Å; I1275-M1308 HydrophobicContact CG2-SD 4.17Å; I1275-L1311 HydrophobicContact CD1-CD2 4.33Å |
| 1276 | E | 61.8 | Low | 54.6 | Low | 88 Ų | 88 | 55.9 Ų | 55.9 | 41% | 0.411 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.9 | -34.8 | 178.9 | -157.6 | 158.3 | 147.2 | 0 | 0 | 110.7 | K1257 S1272 D1273 S1274 I1279 N1280 | K1257-E1276 IonicContact NZ-OE2 2.85Å; K1257-E1276 PolarHBondContact NZ-OE2 3.33Å; S1272-E1276 VanDerWaalsContact O-CB 3.25Å; S1272-E1276 WeakPolarHBondContact O-CB 3.34Å; S1272-E1276 PolarHBondContact O-N 3.09Å; D1273-E1276 PolarHBondContact O-N 3.12Å; S1274-E1276 VanDerWaalsContact C-N 3.34Å; E1276-I1279 PolarHBondContact O-N 2.94Å; E1276-N1280 VanDerWaalsContact O-CB 3.24Å; E1276-N1280 WeakPolarHBondContact O-CB 3.42Å; E1276-N1280 VanDerWaalsContact O-CG 3.28Å; E1276-N1280 PolarHBondContact O-N 3.24Å; E1276-N1280 PolarHBondContact O-ND2 3.23Å |
| 1277 | E | 57.5 | Low | 54.9 | Low | 104.6 Ų | 104.6 | 55.7 Ų | 55.7 | 49% | 0.489 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68 | -40.3 | 169.6 | -174.7 | 165.8 | -125.6 | 0 | 0 | 112.2 | D1273 S1274 I1275 I1279 N1280 S1281 H1304 | D1273-E1277 VanDerWaalsContact O-CB 3.26Å; D1273-E1277 WeakPolarHBondContact O-CB 3.38Å; D1273-E1277 PolarHBondContact O-N 3.09Å; S1274-E1277 PolarHBondContact O-N 3.14Å; I1275-E1277 VanDerWaalsContact C-N 3.33Å; I1275-E1277 PolarHBondContact O-N 3.43Å; E1277-I1279 PolarHBondContact O-N 2.93Å; E1277-N1280 CarbonylContact O-C 3.59Å; E1277-N1280 PolarHBondContact O-N 3.18Å; E1277-S1281 VanDerWaalsContact O-CB 3.26Å; E1277-S1281 WeakPolarHBondContact O-CB 3.36Å; E1277-S1281 PolarHBondContact O-N 3.34Å; E1277-S1281 PolarHBondContact O-OG 3.09Å; E1277-H1304 IonicContact OE2-CE1 3.47Å; E1277-H1304 PolarHBondContact OE2-CE1 3.21Å; E1277-H1304 VanDerWaalsContact OE2-CE1 3.27Å; E1277-H1304 IonicContact OE2-ND1 3.3Å |
| 1278 | V | 55 | Low | 54.9 | Low | 4.2 Ų | 4.2 | 60 Ų | 60 | 3% | 0.025 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 170.6 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | L1249 S1274 I1275 S1281 L1282 I1301 H1304 M1308 | L1249-V1278 HydrophobicContact CD1-CB 4.29Å; L1249-V1278 HydrophobicContact CD1-CG1 3.7Å; S1274-V1278 WeakPolarHBondContact O-CB 3.37Å; S1274-V1278 VanDerWaalsContact O-CG2 3.31Å; S1274-V1278 WeakPolarHBondContact O-CG2 3.35Å; S1274-V1278 PolarHBondContact O-N 3.18Å; I1275-V1278 CarbonylContact O-C 3.59Å; I1275-V1278 PolarHBondContact O-N 3.14Å; V1278-S1281 CarbonylContact O-C 3.6Å; V1278-S1281 PolarHBondContact O-N 2.93Å; V1278-S1281 VanDerWaalsContact O-N 3.12Å; V1278-L1282 HydrophobicContact CG1-CD1 3.85Å; V1278-L1282 HydrophobicContact CG1-CG 4.36Å; V1278-L1282 VanDerWaalsContact O-CB 3.28Å; V1278-L1282 WeakPolarHBondContact O-CB 3.43Å; V1278-L1282 WeakPolarHBondContact O-CD1 3.38Å; V1278-L1282 VanDerWaalsContact O-CG 3.27Å; V1278-L1282 WeakPolarHBondContact O-CG 3.46Å; V1278-L1282 PolarHBondContact O-N 2.98Å; V1278-I1301 HydrophobicContact CG1-CG1 4.41Å; V1278-I1301 HydrophobicContact CG1-CG2 3.99Å; V1278-I1301 HydrophobicContact CG2-CG1 4.44Å; V1278-I1301 HydrophobicContact CG2-CG2 4.35Å; V1278-H1304 HydrophobicContact CB-CB 4.47Å; V1278-H1304 HydrophobicContact CG1-CB 4.16Å; V1278-H1304 HydrophobicContact CG2-CB 3.61Å; V1278-H1304 VanDerWaalsContact CG2-CB 3.49Å; V1278-M1308 HydrophobicContact CG2-CG 4.39Å; V1278-M1308 HydrophobicContact CG2-SD 4.17Å |
| 1279 | I | 60.4 | Low | 54.8 | Low | 14.4 Ų | 14.4 | 60.1 Ų | 60.1 | 7% | 0.074 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 177 | -69.6 | 163.6 | 0 | 0 | 0 | 110.7 | K1246 L1249 L1250 I1275 E1276 E1277 S1281 L1282 E1283 | K1246-I1279 HydrophobicContact CG-CG2 4.45Å; L1249-I1279 HydrophobicContact CB-CD1 4.11Å; L1249-I1279 HydrophobicContact CB-CG1 4.19Å; L1249-I1279 HydrophobicContact CD1-CG1 4.22Å; L1249-I1279 HydrophobicContact CG-CG1 4.47Å; L1250-I1279 HydrophobicContact CD2-CD1 3.78Å; L1250-I1279 HydrophobicContact CG-CD1 3.91Å; I1275-I1279 HydrophobicContact CG2-CD1 3.8Å; I1275-I1279 HydrophobicContact CG2-CG1 4.31Å; I1275-I1279 WeakPolarHBondContact O-CB 3.35Å; I1275-I1279 WeakPolarHBondContact O-CD1 3.15Å; I1275-I1279 VanDerWaalsContact O-CG1 3.26Å; I1275-I1279 WeakPolarHBondContact O-CG1 3.33Å; I1275-I1279 PolarHBondContact O-N 3.26Å; E1276-I1279 PolarHBondContact O-N 2.94Å; E1277-I1279 PolarHBondContact O-N 2.93Å; I1279-S1281 VanDerWaalsContact C-N 3.32Å; I1279-S1281 PolarHBondContact O-N 3Å; I1279-L1282 WeakPolarHBondContact O-CB 3.48Å; I1279-L1282 PolarHBondContact O-N 3.04Å; I1279-E1283 HydrophobicContact CG2-CG 4.47Å; I1279-E1283 WeakPolarHBondContact O-CB 3.42Å; I1279-E1283 WeakPolarHBondContact O-CG 3.37Å; I1279-E1283 PolarHBondContact O-N 3.18Å |
| 1280 | N | 62.9 | Low | 54.7 | Low | 72.4 Ų | 72.4 | 57.6 Ų | 57.6 | 39% | 0.387 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.3 | -25.6 | 176.4 | -80.5 | -58.5 | 0 | 0 | 0 | 112.9 | E1276 E1277 K1284 | E1276-N1280 VanDerWaalsContact O-CB 3.24Å; E1276-N1280 WeakPolarHBondContact O-CB 3.42Å; E1276-N1280 VanDerWaalsContact O-CG 3.28Å; E1276-N1280 PolarHBondContact O-N 3.24Å; E1276-N1280 PolarHBondContact O-ND2 3.23Å; E1277-N1280 CarbonylContact O-C 3.59Å; E1277-N1280 PolarHBondContact O-N 3.18Å; N1280-K1284 WeakPolarHBondContact O-CD 3.43Å; N1280-K1284 WeakPolarHBondContact O-CE 3.38Å; N1280-K1284 VanDerWaalsContact O-CG 3.27Å; N1280-K1284 WeakPolarHBondContact O-CG 3.4Å; N1280-K1284 PolarHBondContact O-N 3.47Å; N1280-K1284 PolarHBondContact O-NZ 3.22Å |
| 1281 | S | 57.9 | Low | 54.9 | Low | 19.4 Ų | 19.4 | 58 Ų | 58 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -84.1 | -38 | 176.2 | -62.1 | 0 | 0 | 0 | 0 | 111.5 | E1277 V1278 I1279 E1283 K1284 I1297 | E1277-S1281 VanDerWaalsContact O-CB 3.26Å; E1277-S1281 WeakPolarHBondContact O-CB 3.36Å; E1277-S1281 PolarHBondContact O-N 3.34Å; E1277-S1281 PolarHBondContact O-OG 3.09Å; V1278-S1281 CarbonylContact O-C 3.6Å; V1278-S1281 PolarHBondContact O-N 2.93Å; V1278-S1281 VanDerWaalsContact O-N 3.12Å; I1279-S1281 VanDerWaalsContact C-N 3.32Å; I1279-S1281 PolarHBondContact O-N 3Å; S1281-E1283 PolarHBondContact O-N 3.07Å; S1281-K1284 PolarHBondContact O-N 3.14Å; S1281-K1284 VanDerWaalsContact O-N 3.14Å; S1281-K1284 PolarHBondContact OG-NZ 3.23Å; S1281-I1297 WeakPolarHBondContact O-CG2 3.35Å |
| 1282 | L | 56.8 | Low | 54.8 | Low | 3.4 Ų | 3.4 | 65 Ų | 65 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 167.9 | -72.7 | 165.7 | 0 | 0 | 0 | 111.1 | I1237 F1242 I1245 L1249 V1278 I1279 K1284 I1285 I1301 | I1237-L1282 HydrophobicContact CD1-CD2 3.89Å; F1242-L1282 HydrophobicContact CD2-CB 4.27Å; F1242-L1282 HydrophobicContact CD2-CD1 4.19Å; F1242-L1282 HydrophobicContact CD2-CD2 4.11Å; F1242-L1282 HydrophobicContact CD2-CG 4.38Å; F1242-L1282 HydrophobicContact CE1-CB 3.79Å; F1242-L1282 HydrophobicContact CE1-CD2 4.05Å; F1242-L1282 HydrophobicContact CE1-CG 4.46Å; F1242-L1282 VanDerWaalsContact CE1-O 3.3Å; F1242-L1282 WeakPolarHBondContact CE1-O 3.46Å; F1242-L1282 HydrophobicContact CE2-CB 3.8Å; F1242-L1282 HydrophobicContact CE2-CD1 3.9Å; F1242-L1282 HydrophobicContact CE2-CD2 3.67Å; F1242-L1282 VanDerWaalsContact CE2-CD2 3.45Å; F1242-L1282 HydrophobicContact CE2-CG 4.26Å; F1242-L1282 WeakPolarHBondContact CE2-O 3.42Å; F1242-L1282 VanDerWaalsContact CZ-C 3.46Å; F1242-L1282 HydrophobicContact CZ-CB 3.76Å; F1242-L1282 HydrophobicContact CZ-CD2 3.37Å; F1242-L1282 VanDerWaalsContact CZ-CD2 3.43Å; F1242-L1282 HydrophobicContact CZ-CG 4.13Å; F1242-L1282 VanDerWaalsContact CZ-O 3.23Å; F1242-L1282 WeakPolarHBondContact CZ-O 3.38Å; I1245-L1282 HydrophobicContact CG2-CD1 4.3Å; L1249-L1282 HydrophobicContact CD1-CD1 3.91Å; V1278-L1282 HydrophobicContact CG1-CD1 3.85Å; V1278-L1282 HydrophobicContact CG1-CG 4.36Å; V1278-L1282 VanDerWaalsContact O-CB 3.28Å; V1278-L1282 WeakPolarHBondContact O-CB 3.43Å; V1278-L1282 WeakPolarHBondContact O-CD1 3.38Å; V1278-L1282 VanDerWaalsContact O-CG 3.27Å; V1278-L1282 WeakPolarHBondContact O-CG 3.46Å; V1278-L1282 PolarHBondContact O-N 2.98Å; I1279-L1282 WeakPolarHBondContact O-CB 3.48Å; I1279-L1282 PolarHBondContact O-N 3.04Å; L1282-K1284 PolarHBondContact O-N 3.3Å; L1282-K1284 VanDerWaalsContact O-N 3.12Å; L1282-I1285 HydrophobicContact CD2-CD1 4.19Å; L1282-I1285 WeakPolarHBondContact O-CB 3.3Å; L1282-I1285 VanDerWaalsContact O-CG1 3.28Å; L1282-I1285 WeakPolarHBondContact O-CG1 3.22Å; L1282-I1285 PolarHBondContact O-N 3.07Å; L1282-I1285 VanDerWaalsContact O-N 3.08Å; L1282-I1301 HydrophobicContact CD2-CD1 3.86Å; L1282-I1301 HydrophobicContact CD2-CG1 4.42Å; L1282-I1301 HydrophobicContact CD2-CG2 4.2Å; L1282-I1301 HydrophobicContact CG-CD1 3.94Å; L1282-I1301 HydrophobicContact CG-CG1 4.41Å; L1282-I1301 HydrophobicContact CG-CG2 4.27Å |
| 1283 | E | 63.1 | Low | 54.6 | Low | 115 Ų | 115 | 70 Ų | 70 | 54% | 0.537 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -14.9 | 179 | -88.9 | -175.8 | -175.8 | 0 | 0 | 114.4 | K1246 I1279 S1281 I1285 | K1246-E1283 WeakPolarHBondContact CE-OE1 3.35Å; K1246-E1283 VanDerWaalsContact NZ-CG 3.34Å; K1246-E1283 IonicContact NZ-OE1 2.84Å; K1246-E1283 PolarHBondContact NZ-OE1 3.2Å; I1279-E1283 HydrophobicContact CG2-CG 4.47Å; I1279-E1283 WeakPolarHBondContact O-CB 3.42Å; I1279-E1283 WeakPolarHBondContact O-CG 3.37Å; I1279-E1283 PolarHBondContact O-N 3.18Å; S1281-E1283 PolarHBondContact O-N 3.07Å; E1283-I1285 VanDerWaalsContact C-N 3.35Å |
| 1284 | K | 61.9 | Low | 54.6 | Low | 135.8 Ų | 135.8 | 67.2 Ų | 67.2 | 59% | 0.59 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -4.5 | 174.2 | -69.4 | 163.1 | -162.6 | 152.6 | 0 | 113.8 | N1280 S1281 L1282 D1286 | N1280-K1284 WeakPolarHBondContact O-CD 3.43Å; N1280-K1284 WeakPolarHBondContact O-CE 3.38Å; N1280-K1284 VanDerWaalsContact O-CG 3.27Å; N1280-K1284 WeakPolarHBondContact O-CG 3.4Å; N1280-K1284 PolarHBondContact O-N 3.47Å; N1280-K1284 PolarHBondContact O-NZ 3.22Å; S1281-K1284 PolarHBondContact O-N 3.14Å; S1281-K1284 VanDerWaalsContact O-N 3.14Å; S1281-K1284 PolarHBondContact OG-NZ 3.23Å; L1282-K1284 PolarHBondContact O-N 3.3Å; L1282-K1284 VanDerWaalsContact O-N 3.12Å; K1284-D1286 VanDerWaalsContact C-N 3.35Å; K1284-D1286 PolarHBondContact O-N 3.21Å |
| 1285 | I | 55.1 | Low | 54.7 | Low | 35.4 Ų | 35.4 | 69.2 Ų | 69.2 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | trans | -76.7 | 88.4 | 177.1 | -58.1 | -179.7 | 0 | 0 | 0 | 109.4 | I1237 F1242 L1282 E1283 P1287 N1294 I1297 N1298 I1301 | I1237-I1285 HydrophobicContact CD1-CD1 3.97Å; F1242-I1285 HydrophobicContact CE2-CB 4.29Å; F1242-I1285 HydrophobicContact CE2-CD1 3.9Å; F1242-I1285 HydrophobicContact CE2-CG1 4.46Å; F1242-I1285 HydrophobicContact CE2-CG2 4.33Å; F1242-I1285 HydrophobicContact CZ-CB 3.8Å; F1242-I1285 HydrophobicContact CZ-CD1 3.82Å; F1242-I1285 HydrophobicContact CZ-CG1 4.1Å; F1242-I1285 HydrophobicContact CZ-CG2 4.33Å; L1282-I1285 HydrophobicContact CD2-CD1 4.19Å; L1282-I1285 WeakPolarHBondContact O-CB 3.3Å; L1282-I1285 VanDerWaalsContact O-CG1 3.28Å; L1282-I1285 WeakPolarHBondContact O-CG1 3.22Å; L1282-I1285 PolarHBondContact O-N 3.07Å; L1282-I1285 VanDerWaalsContact O-N 3.08Å; E1283-I1285 VanDerWaalsContact C-N 3.35Å; I1285-P1287 WeakPolarHBondContact O-CD 3.21Å; I1285-N1294 HydrophobicContact CG2-CB 4.41Å; I1285-I1297 HydrophobicContact CD1-CB 4.22Å; I1285-I1297 HydrophobicContact CD1-CG2 3.83Å; I1285-I1297 HydrophobicContact CG1-CB 4.24Å; I1285-I1297 HydrophobicContact CG1-CD1 4.31Å; I1285-I1297 HydrophobicContact CG1-CG2 3.87Å; I1285-N1298 VanDerWaalsContact CD1-OD1 3.25Å; I1285-N1298 WeakPolarHBondContact CD1-OD1 3.26Å; I1285-I1301 HydrophobicContact CD1-CD1 3.94Å; I1285-I1301 HydrophobicContact CG1-CD1 4.2Å | ||
| 1286 | D | 52.3 | Low | 54.7 | Low | 66.2 Ų | 66.2 | 73.5 Ų | 73.5 | 35% | 0.354 | 38% | 0.378 | S | S | . | . | trans | -74.6 | 120.8 | 165.1 | -179.4 | -8.2 | 0 | 0 | 0 | 109.1 | K1284 N1288 I1289 N1294 | K1284-D1286 VanDerWaalsContact C-N 3.35Å; K1284-D1286 PolarHBondContact O-N 3.21Å; D1286-N1288 PolarHBondContact O-N 3.19Å; D1286-N1288 VanDerWaalsContact OD1-CB 3.3Å; D1286-N1288 WeakPolarHBondContact OD1-CB 3.36Å; D1286-N1288 PolarHBondContact OD1-N 3.11Å; D1286-N1288 PolarHBondContact OD1-ND2 3.19Å; D1286-I1289 HydrophobicContact CB-CB 4.23Å; D1286-I1289 HydrophobicContact CB-CD1 3.73Å; D1286-I1289 HydrophobicContact CB-CG1 3.8Å; D1286-I1289 WeakPolarHBondContact O-CB 3.39Å; D1286-I1289 WeakPolarHBondContact O-CD1 3.4Å; D1286-I1289 VanDerWaalsContact O-CG1 3.23Å; D1286-I1289 WeakPolarHBondContact O-CG1 3.46Å; D1286-I1289 PolarHBondContact O-N 3.07Å; D1286-I1289 VanDerWaalsContact O-N 3.12Å; D1286-N1294 PolarHBondContact O-ND2 3.17Å | ||
| 1287 | P | 49.6 | Very low | 54.4 | Low | 81.6 Ų | 81.6 | 70.7 Ų | 70.7 | 53% | 0.53 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -9.4 | 178.4 | 26.9 | -35.5 | 0 | 0 | 0 | 114.1 | I1235 I1285 I1289 | I1235-P1287 HydrophobicContact CD1-CB 4.42Å; I1235-P1287 WeakPolarHBondContact CD1-O 3.31Å; I1235-P1287 HydrophobicContact CG2-CB 3.81Å; I1285-P1287 WeakPolarHBondContact O-CD 3.21Å; P1287-I1289 VanDerWaalsContact C-N 3.33Å |
| 1288 | N | 46.8 | Very low | 54.4 | Low | 143.4 Ų | 143.4 | 66.2 Ų | 66.2 | 77% | 0.767 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -4.1 | 177.2 | -53.9 | -83.7 | 0 | 0 | 0 | 113.8 | D1286 | D1286-N1288 PolarHBondContact O-N 3.19Å; D1286-N1288 VanDerWaalsContact OD1-CB 3.3Å; D1286-N1288 WeakPolarHBondContact OD1-CB 3.36Å; D1286-N1288 PolarHBondContact OD1-N 3.11Å; D1286-N1288 PolarHBondContact OD1-ND2 3.19Å |
| 1289 | I | 45.8 | Very low | 54.6 | Low | 61.8 Ų | 61.8 | 69 Ų | 69 | 32% | 0.317 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -87.4 | 149.7 | -177.3 | -69.9 | -179.9 | 0 | 0 | 0 | 111.8 | D1286 P1287 Q1293 N1294 I1297 | D1286-I1289 HydrophobicContact CB-CB 4.23Å; D1286-I1289 HydrophobicContact CB-CD1 3.73Å; D1286-I1289 HydrophobicContact CB-CG1 3.8Å; D1286-I1289 WeakPolarHBondContact O-CB 3.39Å; D1286-I1289 WeakPolarHBondContact O-CD1 3.4Å; D1286-I1289 VanDerWaalsContact O-CG1 3.23Å; D1286-I1289 WeakPolarHBondContact O-CG1 3.46Å; D1286-I1289 PolarHBondContact O-N 3.07Å; D1286-I1289 VanDerWaalsContact O-N 3.12Å; P1287-I1289 VanDerWaalsContact C-N 3.33Å; I1289-Q1293 HydrophobicContact CG2-CB 3.92Å; I1289-Q1293 VanDerWaalsContact CG2-CB 3.46Å; I1289-Q1293 HydrophobicContact CG2-CG 4.01Å; I1289-N1294 WeakPolarHBondContact CB-OD1 3.14Å; I1289-N1294 WeakPolarHBondContact CG2-OD1 3.47Å; I1289-N1294 PolarHBondContact O-ND2 3.11Å; I1289-N1294 VanDerWaalsContact O-ND2 3.08Å; I1289-N1294 PolarHBondContact O-OD1 3.16Å; I1289-I1297 HydrophobicContact CD1-CD1 3.86Å; I1289-I1297 HydrophobicContact CG2-CD1 4.19Å |
| 1290 | S | 47.3 | Very low | 54.5 | Low | 70.8 Ų | 70.8 | 72.5 Ų | 72.5 | 50% | 0.495 | 38% | 0.38 | S | S | . | . | trans | -60.1 | 141 | -169 | 87.7 | 0 | 0 | 0 | 0 | 114.2 | K1292 Q1293 N1294 | S1290-K1292 VanDerWaalsContact C-N 3.28Å; S1290-K1292 PolarHBondContact O-N 3.16Å; S1290-Q1293 CarbonylContact O-C 3.27Å; S1290-Q1293 WeakPolarHBondContact O-CA 3.43Å; S1290-Q1293 WeakPolarHBondContact O-CB 3.12Å; S1290-Q1293 PolarHBondContact O-N 2.9Å; S1290-Q1293 VanDerWaalsContact O-N 3.11Å; S1290-Q1293 WeakPolarHBondContact OG-CB 3.1Å; S1290-Q1293 PolarHBondContact OG-OE1 3.27Å; S1290-N1294 PolarHBondContact O-N 3.06Å; S1290-N1294 VanDerWaalsContact O-N 3.11Å | ||
| 1291 | N | 50.4 | Low | 54.3 | Low | 98.6 Ų | 98.6 | 69.1 Ų | 69.1 | 53% | 0.527 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -49.4 | -29.8 | -175.1 | -59.7 | 26.7 | 0 | 0 | 0 | 114.7 | A1234 S1295 | A1234-N1291 PolarHBondContact O-ND2 3.02Å; N1291-S1295 VanDerWaalsContact O-CB 3.24Å; N1291-S1295 WeakPolarHBondContact O-CB 3.45Å; N1291-S1295 PolarHBondContact O-N 3.12Å; N1291-S1295 VanDerWaalsContact O-N 3.11Å; N1291-S1295 PolarHBondContact O-OG 2.91Å |
| 1292 | K | 48.5 | Very low | 54.5 | Low | 159 Ų | 159 | 69 Ų | 69 | 69% | 0.691 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.5 | -44.2 | 177.3 | -102.3 | -170.1 | 174.7 | -169.7 | 0 | 112.7 | S1290 S1295 Q1296 | S1290-K1292 VanDerWaalsContact C-N 3.28Å; S1290-K1292 PolarHBondContact O-N 3.16Å; K1292-S1295 WeakPolarHBondContact CA-OG 3.32Å; K1292-S1295 PolarHBondContact O-N 3.14Å; K1292-S1295 PolarHBondContact O-OG 3.23Å; K1292-Q1296 WeakPolarHBondContact O-CB 3.5Å; K1292-Q1296 PolarHBondContact O-N 3.13Å |
| 1293 | Q | 52.1 | Low | 54.8 | Low | 109.6 Ų | 109.6 | 72.5 Ų | 72.5 | 51% | 0.512 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.9 | -43.5 | 179.6 | -87.5 | 177.9 | -68.1 | 0 | 0 | 110.3 | I1289 S1290 S1295 Q1296 I1297 | I1289-Q1293 HydrophobicContact CG2-CB 3.92Å; I1289-Q1293 VanDerWaalsContact CG2-CB 3.46Å; I1289-Q1293 HydrophobicContact CG2-CG 4.01Å; S1290-Q1293 CarbonylContact O-C 3.27Å; S1290-Q1293 WeakPolarHBondContact O-CA 3.43Å; S1290-Q1293 WeakPolarHBondContact O-CB 3.12Å; S1290-Q1293 PolarHBondContact O-N 2.9Å; S1290-Q1293 VanDerWaalsContact O-N 3.11Å; S1290-Q1293 WeakPolarHBondContact OG-CB 3.1Å; S1290-Q1293 PolarHBondContact OG-OE1 3.27Å; Q1293-S1295 VanDerWaalsContact C-N 3.29Å; Q1293-S1295 PolarHBondContact O-N 3.08Å; Q1293-Q1296 PolarHBondContact O-N 3.05Å; Q1293-Q1296 VanDerWaalsContact O-N 3.08Å; Q1293-I1297 WeakPolarHBondContact O-CB 3.46Å; Q1293-I1297 WeakPolarHBondContact O-CD1 3.49Å; Q1293-I1297 VanDerWaalsContact O-CG1 3.28Å; Q1293-I1297 WeakPolarHBondContact O-CG1 3.36Å; Q1293-I1297 PolarHBondContact O-N 3.07Å |
| 1294 | N | 51.4 | Low | 54.6 | Low | 13.8 Ų | 13.8 | 69.3 Ų | 69.3 | 7% | 0.074 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62 | -36.6 | 175.2 | -66.3 | -4.3 | 0 | 0 | 0 | 112 | I1285 D1286 I1289 S1290 Q1296 N1298 | I1285-N1294 HydrophobicContact CG2-CB 4.41Å; D1286-N1294 PolarHBondContact O-ND2 3.17Å; I1289-N1294 WeakPolarHBondContact CB-OD1 3.14Å; I1289-N1294 WeakPolarHBondContact CG2-OD1 3.47Å; I1289-N1294 PolarHBondContact O-ND2 3.11Å; I1289-N1294 VanDerWaalsContact O-ND2 3.08Å; I1289-N1294 PolarHBondContact O-OD1 3.16Å; S1290-N1294 PolarHBondContact O-N 3.06Å; S1290-N1294 VanDerWaalsContact O-N 3.11Å; N1294-Q1296 VanDerWaalsContact C-N 3.33Å; N1294-Q1296 PolarHBondContact O-N 3.18Å; N1294-N1298 VanDerWaalsContact O-CB 3.28Å; N1294-N1298 WeakPolarHBondContact O-CB 3.3Å; N1294-N1298 PolarHBondContact O-N 3.08Å; N1294-N1298 PolarHBondContact O-ND2 3.1Å; N1294-N1298 VanDerWaalsContact O-ND2 3.17Å |
| 1295 | S | 55 | Low | 54.5 | Low | 55.2 Ų | 55.2 | 63 Ų | 63 | 39% | 0.386 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.6 | -35.6 | 174 | 84.4 | 0 | 0 | 0 | 0 | 113.4 | N1291 K1292 Q1293 S1299 | N1291-S1295 VanDerWaalsContact O-CB 3.24Å; N1291-S1295 WeakPolarHBondContact O-CB 3.45Å; N1291-S1295 PolarHBondContact O-N 3.12Å; N1291-S1295 VanDerWaalsContact O-N 3.11Å; N1291-S1295 PolarHBondContact O-OG 2.91Å; K1292-S1295 WeakPolarHBondContact CA-OG 3.32Å; K1292-S1295 PolarHBondContact O-N 3.14Å; K1292-S1295 PolarHBondContact O-OG 3.23Å; Q1293-S1295 VanDerWaalsContact C-N 3.29Å; Q1293-S1295 PolarHBondContact O-N 3.08Å; S1295-S1299 WeakPolarHBondContact O-CB 3.4Å; S1295-S1299 PolarHBondContact O-N 3.16Å; S1295-S1299 VanDerWaalsContact O-N 3.12Å; S1295-S1299 PolarHBondContact O-OG 2.91Å |
| 1296 | Q | 56.9 | Low | 55 | Low | 91.2 Ų | 91.2 | 64.5 Ų | 64.5 | 43% | 0.426 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -73.7 | -47.4 | 178.6 | -155.8 | 173.2 | -30 | 0 | 0 | 111 | K1292 Q1293 N1294 N1298 S1299 E1300 | K1292-Q1296 WeakPolarHBondContact O-CB 3.5Å; K1292-Q1296 PolarHBondContact O-N 3.13Å; Q1293-Q1296 PolarHBondContact O-N 3.05Å; Q1293-Q1296 VanDerWaalsContact O-N 3.08Å; N1294-Q1296 VanDerWaalsContact C-N 3.33Å; N1294-Q1296 PolarHBondContact O-N 3.18Å; Q1296-N1298 VanDerWaalsContact C-N 3.31Å; Q1296-N1298 PolarHBondContact O-N 3.13Å; Q1296-S1299 CarbonylContact O-C 3.59Å; Q1296-S1299 WeakPolarHBondContact O-CA 3.46Å; Q1296-S1299 WeakPolarHBondContact O-CB 3.13Å; Q1296-S1299 PolarHBondContact O-N 3.01Å; Q1296-S1299 VanDerWaalsContact O-N 3.14Å; Q1296-S1299 PolarHBondContact O-OG 3.06Å; Q1296-E1300 VanDerWaalsContact CG-OE1 3.3Å; Q1296-E1300 WeakPolarHBondContact CG-OE1 3.19Å; Q1296-E1300 PolarHBondContact NE2-OE1 2.87Å; Q1296-E1300 WeakPolarHBondContact O-CB 3.32Å; Q1296-E1300 WeakPolarHBondContact O-CG 3.49Å; Q1296-E1300 PolarHBondContact O-N 3.36Å |
| 1297 | I | 56.3 | Low | 55.4 | Low | 29.6 Ų | 29.6 | 62.7 Ų | 62.7 | 15% | 0.152 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.6 | -43 | 175.4 | -64.6 | 164.9 | 0 | 0 | 0 | 110.6 | S1281 I1285 I1289 Q1293 S1299 E1300 I1301 | S1281-I1297 WeakPolarHBondContact O-CG2 3.35Å; I1285-I1297 HydrophobicContact CD1-CB 4.22Å; I1285-I1297 HydrophobicContact CD1-CG2 3.83Å; I1285-I1297 HydrophobicContact CG1-CB 4.24Å; I1285-I1297 HydrophobicContact CG1-CD1 4.31Å; I1285-I1297 HydrophobicContact CG1-CG2 3.87Å; I1289-I1297 HydrophobicContact CD1-CD1 3.86Å; I1289-I1297 HydrophobicContact CG2-CD1 4.19Å; Q1293-I1297 WeakPolarHBondContact O-CB 3.46Å; Q1293-I1297 WeakPolarHBondContact O-CD1 3.49Å; Q1293-I1297 VanDerWaalsContact O-CG1 3.28Å; Q1293-I1297 WeakPolarHBondContact O-CG1 3.36Å; Q1293-I1297 PolarHBondContact O-N 3.07Å; I1297-S1299 VanDerWaalsContact C-N 3.32Å; I1297-S1299 PolarHBondContact O-N 3.07Å; I1297-E1300 WeakPolarHBondContact O-CB 3.43Å; I1297-E1300 PolarHBondContact O-N 3.06Å; I1297-I1301 HydrophobicContact CG2-CD1 3.72Å; I1297-I1301 HydrophobicContact CG2-CG1 4.43Å; I1297-I1301 WeakPolarHBondContact O-CD1 3.26Å; I1297-I1301 VanDerWaalsContact O-CG1 3.27Å; I1297-I1301 WeakPolarHBondContact O-CG1 3.28Å; I1297-I1301 PolarHBondContact O-N 3.27Å |
| 1298 | N | 57.1 | Low | 55.9 | Low | 10.2 Ų | 10.2 | 59.3 Ų | 59.3 | 6% | 0.055 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.8 | -36.8 | 175 | -74 | -21.9 | 0 | 0 | 0 | 112.6 | V1218 I1235 I1237 I1285 N1294 Q1296 E1300 I1302 | V1218-N1298 HydrophobicContact CG2-CB 3.88Å; V1218-N1298 WeakPolarHBondContact CG2-ND2 3.33Å; I1235-N1298 WeakPolarHBondContact CG2-ND2 3.21Å; I1237-N1298 WeakPolarHBondContact CD1-OD1 3.23Å; I1285-N1298 VanDerWaalsContact CD1-OD1 3.25Å; I1285-N1298 WeakPolarHBondContact CD1-OD1 3.26Å; N1294-N1298 VanDerWaalsContact O-CB 3.28Å; N1294-N1298 WeakPolarHBondContact O-CB 3.3Å; N1294-N1298 PolarHBondContact O-N 3.08Å; N1294-N1298 PolarHBondContact O-ND2 3.1Å; N1294-N1298 VanDerWaalsContact O-ND2 3.17Å; Q1296-N1298 VanDerWaalsContact C-N 3.31Å; Q1296-N1298 PolarHBondContact O-N 3.13Å; N1298-E1300 VanDerWaalsContact C-N 3.32Å; N1298-I1302 WeakPolarHBondContact O-CB 3.35Å; N1298-I1302 WeakPolarHBondContact O-CD1 3.31Å; N1298-I1302 VanDerWaalsContact O-CG1 3.26Å; N1298-I1302 WeakPolarHBondContact O-CG1 3.35Å; N1298-I1302 PolarHBondContact O-N 3.13Å; N1298-I1302 VanDerWaalsContact O-N 3.08Å |
| 1299 | S | 59.7 | Low | 56.8 | Low | 62.4 Ų | 62.4 | 52.7 Ų | 52.7 | 44% | 0.436 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -69.2 | -35.1 | 175.6 | 82.1 | 0 | 0 | 0 | 0 | 112.9 | S1295 Q1296 I1297 I1302 Q1303 | S1295-S1299 WeakPolarHBondContact O-CB 3.4Å; S1295-S1299 PolarHBondContact O-N 3.16Å; S1295-S1299 VanDerWaalsContact O-N 3.12Å; S1295-S1299 PolarHBondContact O-OG 2.91Å; Q1296-S1299 CarbonylContact O-C 3.59Å; Q1296-S1299 WeakPolarHBondContact O-CA 3.46Å; Q1296-S1299 WeakPolarHBondContact O-CB 3.13Å; Q1296-S1299 PolarHBondContact O-N 3.01Å; Q1296-S1299 VanDerWaalsContact O-N 3.14Å; Q1296-S1299 PolarHBondContact O-OG 3.06Å; I1297-S1299 VanDerWaalsContact C-N 3.32Å; I1297-S1299 PolarHBondContact O-N 3.07Å; S1299-I1302 PolarHBondContact O-N 2.95Å; S1299-Q1303 VanDerWaalsContact O-CB 3.3Å; S1299-Q1303 WeakPolarHBondContact O-CB 3.39Å; S1299-Q1303 PolarHBondContact O-N 3.13Å; S1299-Q1303 VanDerWaalsContact O-N 3.09Å |
| 1300 | E | 58.1 | Low | 57.8 | Low | 86.8 Ų | 86.8 | 51.2 Ų | 51.2 | 41% | 0.406 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.5 | -48.1 | 173.7 | -84.6 | 165.7 | -179.1 | 0 | 0 | 110.3 | Q1296 I1297 N1298 I1302 Q1303 H1304 | Q1296-E1300 VanDerWaalsContact CG-OE1 3.3Å; Q1296-E1300 WeakPolarHBondContact CG-OE1 3.19Å; Q1296-E1300 PolarHBondContact NE2-OE1 2.87Å; Q1296-E1300 WeakPolarHBondContact O-CB 3.32Å; Q1296-E1300 WeakPolarHBondContact O-CG 3.49Å; Q1296-E1300 PolarHBondContact O-N 3.36Å; I1297-E1300 WeakPolarHBondContact O-CB 3.43Å; I1297-E1300 PolarHBondContact O-N 3.06Å; N1298-E1300 VanDerWaalsContact C-N 3.32Å; E1300-I1302 PolarHBondContact O-N 3.18Å; E1300-Q1303 WeakPolarHBondContact O-CB 3.43Å; E1300-Q1303 PolarHBondContact O-N 3.08Å; E1300-Q1303 VanDerWaalsContact O-N 3.11Å; E1300-H1304 WeakPolarHBondContact CG-NE2 3.23Å; E1300-H1304 PolarHBondContact O-CD2 3.04Å; E1300-H1304 VanDerWaalsContact O-CD2 3.28Å; E1300-H1304 PolarHBondContact O-N 3.21Å |
| 1301 | I | 58.5 | Low | 58.5 | Low | 2.2 Ų | 2.2 | 49.4 Ų | 49.4 | 1% | 0.011 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.8 | -45.4 | 175.5 | -67.4 | 160.1 | 0 | 0 | 0 | 111.7 | L1214 V1278 L1282 I1285 I1297 Q1303 H1304 L1305 | L1214-I1301 HydrophobicContact CD1-CG2 3.84Å; L1214-I1301 HydrophobicContact CD2-CB 4.1Å; L1214-I1301 HydrophobicContact CD2-CG2 3.51Å; V1278-I1301 HydrophobicContact CG1-CG1 4.41Å; V1278-I1301 HydrophobicContact CG1-CG2 3.99Å; V1278-I1301 HydrophobicContact CG2-CG1 4.44Å; V1278-I1301 HydrophobicContact CG2-CG2 4.35Å; L1282-I1301 HydrophobicContact CD2-CD1 3.86Å; L1282-I1301 HydrophobicContact CD2-CG1 4.42Å; L1282-I1301 HydrophobicContact CD2-CG2 4.2Å; L1282-I1301 HydrophobicContact CG-CD1 3.94Å; L1282-I1301 HydrophobicContact CG-CG1 4.41Å; L1282-I1301 HydrophobicContact CG-CG2 4.27Å; I1285-I1301 HydrophobicContact CD1-CD1 3.94Å; I1285-I1301 HydrophobicContact CG1-CD1 4.2Å; I1297-I1301 HydrophobicContact CG2-CD1 3.72Å; I1297-I1301 HydrophobicContact CG2-CG1 4.43Å; I1297-I1301 WeakPolarHBondContact O-CD1 3.26Å; I1297-I1301 VanDerWaalsContact O-CG1 3.27Å; I1297-I1301 WeakPolarHBondContact O-CG1 3.28Å; I1297-I1301 PolarHBondContact O-N 3.27Å; I1301-Q1303 VanDerWaalsContact C-N 3.33Å; I1301-Q1303 PolarHBondContact O-N 3.08Å; I1301-H1304 PolarHBondContact O-N 3.27Å; I1301-L1305 HydrophobicContact CG2-CD1 3.99Å; I1301-L1305 HydrophobicContact CG2-CG 4.36Å; I1301-L1305 WeakPolarHBondContact O-CB 3.33Å; I1301-L1305 VanDerWaalsContact O-CG 3.3Å; I1301-L1305 WeakPolarHBondContact O-CG 3.37Å; I1301-L1305 PolarHBondContact O-N 2.83Å; I1301-L1305 VanDerWaalsContact O-N 3.09Å |
| 1302 | I | 61.5 | Low | 59.2 | Low | 18 Ų | 18 | 45 Ų | 45 | 9% | 0.092 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.9 | -45.3 | 175.9 | -73.2 | 165.3 | 0 | 0 | 0 | 110.4 | R1211 L1214 F1215 V1218 N1298 S1299 E1300 H1304 L1305 E1306 | R1211-I1302 HydrophobicContact CG-CG2 4.33Å; L1214-I1302 HydrophobicContact CB-CD1 4.31Å; L1214-I1302 HydrophobicContact CB-CG1 4.05Å; L1214-I1302 HydrophobicContact CD2-CD1 4.48Å; L1214-I1302 HydrophobicContact CD2-CG1 3.64Å; L1214-I1302 HydrophobicContact CG-CD1 4.32Å; L1214-I1302 HydrophobicContact CG-CG1 3.95Å; F1215-I1302 HydrophobicContact CB-CD1 4.38Å; F1215-I1302 HydrophobicContact CD1-CD1 4.46Å; F1215-I1302 HydrophobicContact CD2-CD1 4.35Å; F1215-I1302 HydrophobicContact CD2-CG2 4.12Å; F1215-I1302 HydrophobicContact CE1-CD1 4.41Å; F1215-I1302 HydrophobicContact CE2-CD1 4.26Å; F1215-I1302 HydrophobicContact CE2-CG1 4.44Å; F1215-I1302 HydrophobicContact CE2-CG2 4.01Å; F1215-I1302 HydrophobicContact CG-CD1 4.41Å; F1215-I1302 HydrophobicContact CZ-CD1 4.31Å; F1215-I1302 HydrophobicContact CZ-CG2 3.86Å; V1218-I1302 HydrophobicContact CB-CD1 4.29Å; V1218-I1302 HydrophobicContact CG2-CD1 4.13Å; N1298-I1302 WeakPolarHBondContact O-CB 3.35Å; N1298-I1302 WeakPolarHBondContact O-CD1 3.31Å; N1298-I1302 VanDerWaalsContact O-CG1 3.26Å; N1298-I1302 WeakPolarHBondContact O-CG1 3.35Å; N1298-I1302 PolarHBondContact O-N 3.13Å; N1298-I1302 VanDerWaalsContact O-N 3.08Å; S1299-I1302 PolarHBondContact O-N 2.95Å; E1300-I1302 PolarHBondContact O-N 3.18Å; I1302-H1304 PolarHBondContact O-N 3.23Å; I1302-L1305 PolarHBondContact O-N 3.34Å; I1302-E1306 VanDerWaalsContact O-CB 3.26Å; I1302-E1306 WeakPolarHBondContact O-CB 3.49Å; I1302-E1306 WeakPolarHBondContact O-CG 3.28Å; I1302-E1306 PolarHBondContact O-N 3.11Å |
| 1303 | Q | 62.5 | Low | 60.2 | Low | 76.8 Ų | 76.8 | 38.5 Ų | 38.5 | 36% | 0.359 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.8 | -38.2 | -179.6 | -172.4 | 65.1 | 93.6 | 0 | 0 | 112.6 | S1299 E1300 I1301 E1306 N1307 | S1299-Q1303 VanDerWaalsContact O-CB 3.3Å; S1299-Q1303 WeakPolarHBondContact O-CB 3.39Å; S1299-Q1303 PolarHBondContact O-N 3.13Å; S1299-Q1303 VanDerWaalsContact O-N 3.09Å; E1300-Q1303 WeakPolarHBondContact O-CB 3.43Å; E1300-Q1303 PolarHBondContact O-N 3.08Å; E1300-Q1303 VanDerWaalsContact O-N 3.11Å; I1301-Q1303 VanDerWaalsContact C-N 3.33Å; I1301-Q1303 PolarHBondContact O-N 3.08Å; Q1303-E1306 PolarHBondContact NE2-OE2 3.03Å; Q1303-E1306 PolarHBondContact O-N 2.96Å; Q1303-N1307 PolarHBondContact NE2-OD1 3.01Å; Q1303-N1307 WeakPolarHBondContact O-CB 3.38Å; Q1303-N1307 PolarHBondContact O-N 3.09Å; Q1303-N1307 PolarHBondContact O-ND2 3.18Å; Q1303-N1307 PolarHBondContact O-OD1 3.19Å |
| 1304 | H | 58.8 | Low | 60.9 | Low | 47 Ų | 47 | 33.4 Ų | 33.4 | 22% | 0.218 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.1 | -42.4 | 174.1 | -78.6 | -90 | 0 | 0 | 0 | 112 | E1277 V1278 E1300 I1301 I1302 E1306 N1307 M1308 | E1277-H1304 IonicContact OE2-CE1 3.47Å; E1277-H1304 PolarHBondContact OE2-CE1 3.21Å; E1277-H1304 VanDerWaalsContact OE2-CE1 3.27Å; E1277-H1304 IonicContact OE2-ND1 3.3Å; V1278-H1304 HydrophobicContact CB-CB 4.47Å; V1278-H1304 HydrophobicContact CG1-CB 4.16Å; V1278-H1304 HydrophobicContact CG2-CB 3.61Å; V1278-H1304 VanDerWaalsContact CG2-CB 3.49Å; E1300-H1304 WeakPolarHBondContact CG-NE2 3.23Å; E1300-H1304 PolarHBondContact O-CD2 3.04Å; E1300-H1304 VanDerWaalsContact O-CD2 3.28Å; E1300-H1304 PolarHBondContact O-N 3.21Å; I1301-H1304 PolarHBondContact O-N 3.27Å; I1302-H1304 PolarHBondContact O-N 3.23Å; H1304-E1306 VanDerWaalsContact C-N 3.34Å; H1304-E1306 PolarHBondContact O-N 2.99Å; H1304-N1307 PolarHBondContact O-N 3.11Å; H1304-M1308 VanDerWaalsContact O-CB 3.29Å; H1304-M1308 WeakPolarHBondContact O-CB 3.38Å; H1304-M1308 WeakPolarHBondContact O-CG 3.48Å; H1304-M1308 PolarHBondContact O-N 3.01Å |
| 1305 | L | 61.3 | Low | 61.5 | Low | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 174.5 | -73 | 170.8 | 0 | 0 | 0 | 111.7 | L1207 A1210 R1211 L1214 L1249 I1301 I1302 M1308 I1309 | L1207-L1305 HydrophobicContact CD2-CD2 4.01Å; A1210-L1305 HydrophobicContact CB-CD1 4.3Å; R1211-L1305 HydrophobicContact CB-CB 4.29Å; R1211-L1305 HydrophobicContact CB-CD1 4.31Å; R1211-L1305 HydrophobicContact CG-CB 4.23Å; L1214-L1305 HydrophobicContact CD1-CD1 3.79Å; L1214-L1305 HydrophobicContact CD2-CD1 4Å; L1249-L1305 HydrophobicContact CD2-CD2 4.35Å; I1301-L1305 HydrophobicContact CG2-CD1 3.99Å; I1301-L1305 HydrophobicContact CG2-CG 4.36Å; I1301-L1305 WeakPolarHBondContact O-CB 3.33Å; I1301-L1305 VanDerWaalsContact O-CG 3.3Å; I1301-L1305 WeakPolarHBondContact O-CG 3.37Å; I1301-L1305 PolarHBondContact O-N 2.83Å; I1301-L1305 VanDerWaalsContact O-N 3.09Å; I1302-L1305 PolarHBondContact O-N 3.34Å; L1305-M1308 WeakPolarHBondContact O-CB 3.43Å; L1305-M1308 PolarHBondContact O-N 3.02Å; L1305-I1309 WeakPolarHBondContact O-CB 3.4Å; L1305-I1309 WeakPolarHBondContact O-CD1 3.4Å; L1305-I1309 VanDerWaalsContact O-CG1 3.26Å; L1305-I1309 WeakPolarHBondContact O-CG1 3.36Å; L1305-I1309 PolarHBondContact O-N 3.31Å |
| 1306 | E | 65 | Low | 62.1 | Low | 68 Ų | 68 | 31.7 Ų | 31.7 | 32% | 0.318 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64.8 | -41 | 176.1 | -112.4 | -170.5 | -162.2 | 0 | 0 | 112.6 | R1211 I1302 Q1303 H1304 M1308 I1309 S1310 | R1211-E1306 WeakPolarHBondContact CD-OE1 3.24Å; R1211-E1306 HydrophobicContact CG-CG 4.26Å; R1211-E1306 IonicContact CZ-OE1 3.06Å; R1211-E1306 IonicContact NE-OE1 2.65Å; R1211-E1306 IonicContact NH1-OE1 3.33Å; R1211-E1306 PolarHBondContact NH1-OE1 3.34Å; R1211-E1306 IonicContact NH1-OE2 3.12Å; I1302-E1306 VanDerWaalsContact O-CB 3.26Å; I1302-E1306 WeakPolarHBondContact O-CB 3.49Å; I1302-E1306 WeakPolarHBondContact O-CG 3.28Å; I1302-E1306 PolarHBondContact O-N 3.11Å; Q1303-E1306 PolarHBondContact NE2-OE2 3.03Å; Q1303-E1306 PolarHBondContact O-N 2.96Å; H1304-E1306 VanDerWaalsContact C-N 3.34Å; H1304-E1306 PolarHBondContact O-N 2.99Å; E1306-M1308 VanDerWaalsContact C-N 3.32Å; E1306-M1308 PolarHBondContact O-N 3.32Å; E1306-I1309 PolarHBondContact O-N 3.12Å; E1306-S1310 VanDerWaalsContact O-CB 3.25Å; E1306-S1310 WeakPolarHBondContact O-CB 3.38Å; E1306-S1310 PolarHBondContact O-N 3.25Å; E1306-S1310 PolarHBondContact O-OG 3.37Å |
| 1307 | N | 60.7 | Low | 62.8 | Low | 28 Ų | 28 | 27.3 Ų | 27.3 | 15% | 0.15 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61 | -43.1 | 172.2 | -74 | -22 | 0 | 0 | 0 | 111.1 | Q1303 H1304 S1310 L1311 L1430 S1433 | Q1303-N1307 PolarHBondContact NE2-OD1 3.01Å; Q1303-N1307 WeakPolarHBondContact O-CB 3.38Å; Q1303-N1307 PolarHBondContact O-N 3.09Å; Q1303-N1307 PolarHBondContact O-ND2 3.18Å; Q1303-N1307 PolarHBondContact O-OD1 3.19Å; H1304-N1307 PolarHBondContact O-N 3.11Å; N1307-S1310 PolarHBondContact O-N 3Å; N1307-L1311 VanDerWaalsContact O-CB 3.32Å; N1307-L1311 WeakPolarHBondContact O-CB 3.26Å; N1307-L1311 PolarHBondContact O-N 3.07Å; N1307-L1430 HydrophobicContact CB-CD2 4.36Å; N1307-S1433 WeakPolarHBondContact OD1-CB 3.4Å; N1307-S1433 PolarHBondContact OD1-OG 3.27Å |
| 1308 | M | 60.5 | Low | 63.7 | Low | 9.2 Ų | 9.2 | 27.4 Ų | 27.4 | 5% | 0.045 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.3 | -41.4 | 178.3 | -121.1 | -165.2 | 104.1 | 0 | 0 | 113.1 | L1207 L1249 I1252 L1271 I1275 V1278 H1304 L1305 E1306 S1310 L1311 N1312 | L1207-M1308 HydrophobicContact CD1-CB 4.4Å; L1207-M1308 HydrophobicContact CD1-CE 3.9Å; L1207-M1308 HydrophobicContact CD1-SD 4.39Å; L1207-M1308 HydrophobicContact CD2-CB 4.39Å; L1207-M1308 HydrophobicContact CD2-CE 4.01Å; L1207-M1308 HydrophobicContact CD2-SD 4.35Å; L1207-M1308 HydrophobicContact CG-CE 4.4Å; L1249-M1308 HydrophobicContact CD1-SD 4.43Å; L1249-M1308 HydrophobicContact CD2-CE 3.57Å; L1249-M1308 HydrophobicContact CD2-SD 3.49Å; L1249-M1308 VanDerWaalsContact CD2-SD 3.57Å; L1249-M1308 WeakPolarHBondContact CD2-SD 3.47Å; I1252-M1308 HydrophobicContact CD1-CE 3.79Å; L1271-M1308 HydrophobicContact CD1-CE 4.16Å; L1271-M1308 HydrophobicContact CD1-CG 4.31Å; L1271-M1308 HydrophobicContact CD2-CE 3.78Å; L1271-M1308 HydrophobicContact CG-CE 3.95Å; L1271-M1308 HydrophobicContact CG-CG 4.24Å; L1271-M1308 HydrophobicContact CG-SD 4Å; I1275-M1308 HydrophobicContact CB-CE 4.45Å; I1275-M1308 HydrophobicContact CB-SD 4.46Å; I1275-M1308 HydrophobicContact CD1-CE 3.75Å; I1275-M1308 HydrophobicContact CD1-SD 4.23Å; I1275-M1308 HydrophobicContact CG1-CE 3.61Å; I1275-M1308 VanDerWaalsContact CG1-CE 3.49Å; I1275-M1308 HydrophobicContact CG1-SD 3.86Å; I1275-M1308 HydrophobicContact CG2-CE 4.09Å; I1275-M1308 HydrophobicContact CG2-SD 4.17Å; V1278-M1308 HydrophobicContact CG2-CG 4.39Å; V1278-M1308 HydrophobicContact CG2-SD 4.17Å; H1304-M1308 VanDerWaalsContact O-CB 3.29Å; H1304-M1308 WeakPolarHBondContact O-CB 3.38Å; H1304-M1308 WeakPolarHBondContact O-CG 3.48Å; H1304-M1308 PolarHBondContact O-N 3.01Å; L1305-M1308 WeakPolarHBondContact O-CB 3.43Å; L1305-M1308 PolarHBondContact O-N 3.02Å; E1306-M1308 VanDerWaalsContact C-N 3.32Å; E1306-M1308 PolarHBondContact O-N 3.32Å; M1308-S1310 VanDerWaalsContact C-N 3.34Å; M1308-S1310 PolarHBondContact O-N 2.94Å; M1308-L1311 PolarHBondContact O-N 3.13Å; M1308-N1312 WeakPolarHBondContact O-CB 3.33Å; M1308-N1312 PolarHBondContact O-N 3.17Å; M1308-N1312 PolarHBondContact O-ND2 3.07Å; M1308-N1312 PolarHBondContact O-OD1 2.89Å |
| 1309 | I | 64.7 | Low | 64.2 | Low | 6.4 Ų | 6.4 | 28.6 Ų | 28.6 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.1 | -47.4 | 174.1 | -69.3 | 161.2 | 0 | 0 | 0 | 109.7 | L1204 L1207 Q1208 R1211 L1305 E1306 L1311 N1312 H1313 | L1204-I1309 HydrophobicContact CD1-CG2 4.08Å; L1204-I1309 HydrophobicContact CD2-CG2 4.24Å; L1207-I1309 HydrophobicContact CB-CD1 4.4Å; L1207-I1309 HydrophobicContact CB-CG1 4.09Å; Q1208-I1309 HydrophobicContact CB-CD1 4.49Å; Q1208-I1309 HydrophobicContact CG-CD1 4.01Å; Q1208-I1309 HydrophobicContact CG-CG1 4.36Å; Q1208-I1309 HydrophobicContact CG-CG2 4.11Å; R1211-I1309 HydrophobicContact CB-CD1 4.08Å; R1211-I1309 HydrophobicContact CG-CD1 4.34Å; L1305-I1309 WeakPolarHBondContact O-CB 3.4Å; L1305-I1309 WeakPolarHBondContact O-CD1 3.4Å; L1305-I1309 VanDerWaalsContact O-CG1 3.26Å; L1305-I1309 WeakPolarHBondContact O-CG1 3.36Å; L1305-I1309 PolarHBondContact O-N 3.31Å; E1306-I1309 PolarHBondContact O-N 3.12Å; I1309-L1311 VanDerWaalsContact C-N 3.33Å; I1309-L1311 PolarHBondContact O-N 3.21Å; I1309-N1312 PolarHBondContact O-N 3.11Å; I1309-N1312 VanDerWaalsContact O-N 3.15Å; I1309-H1313 WeakPolarHBondContact CG2-NE2 3.36Å; I1309-H1313 PolarHBondContact O-CD2 3.19Å; I1309-H1313 PolarHBondContact O-N 3.09Å |
| 1310 | S | 66.7 | Low | 64.8 | Low | 29.4 Ų | 29.4 | 25.6 Ų | 25.6 | 21% | 0.206 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.3 | -43.4 | 178 | -59.6 | 0 | 0 | 0 | 0 | 112.4 | E1306 N1307 M1308 N1312 H1313 G1314 I1426 | E1306-S1310 VanDerWaalsContact O-CB 3.25Å; E1306-S1310 WeakPolarHBondContact O-CB 3.38Å; E1306-S1310 PolarHBondContact O-N 3.25Å; E1306-S1310 PolarHBondContact O-OG 3.37Å; N1307-S1310 PolarHBondContact O-N 3Å; M1308-S1310 VanDerWaalsContact C-N 3.34Å; M1308-S1310 PolarHBondContact O-N 2.94Å; S1310-N1312 VanDerWaalsContact C-N 3.34Å; S1310-N1312 PolarHBondContact O-N 2.83Å; S1310-H1313 PolarHBondContact O-N 3.13Å; S1310-G1314 PolarHBondContact O-N 3.18Å; S1310-I1426 WeakPolarHBondContact O-CG2 3.3Å |
| 1311 | L | 63.5 | Low | 65.6 | Low | 33.2 Ų | 33.2 | 21.9 Ų | 21.9 | 17% | 0.174 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 176.7 | -168.1 | 101.2 | 0 | 0 | 0 | 111 | I1256 F1265 Y1270 L1271 I1275 N1307 M1308 I1309 H1313 G1314 L1315 L1430 | I1256-L1311 HydrophobicContact CD1-CD2 4.29Å; F1265-L1311 HydrophobicContact CD1-CD1 4.46Å; F1265-L1311 HydrophobicContact CE1-CD1 4.15Å; F1265-L1311 HydrophobicContact CZ-CD1 4.44Å; Y1270-L1311 HydrophobicContact CD1-CD2 4.24Å; Y1270-L1311 HydrophobicContact CE1-CD1 4.26Å; Y1270-L1311 HydrophobicContact CE1-CD2 4.5Å; L1271-L1311 HydrophobicContact CB-CD2 3.91Å; L1271-L1311 HydrophobicContact CD1-CD1 3.92Å; L1271-L1311 HydrophobicContact CD1-CD2 3.98Å; L1271-L1311 HydrophobicContact CD2-CD1 3.72Å; L1271-L1311 HydrophobicContact CD2-CD2 4.15Å; L1271-L1311 HydrophobicContact CD2-CG 4.44Å; L1271-L1311 HydrophobicContact CG-CD1 4.44Å; L1271-L1311 HydrophobicContact CG-CD2 4.26Å; I1275-L1311 HydrophobicContact CD1-CD2 4.33Å; N1307-L1311 VanDerWaalsContact O-CB 3.32Å; N1307-L1311 WeakPolarHBondContact O-CB 3.26Å; N1307-L1311 PolarHBondContact O-N 3.07Å; M1308-L1311 PolarHBondContact O-N 3.13Å; I1309-L1311 VanDerWaalsContact C-N 3.33Å; I1309-L1311 PolarHBondContact O-N 3.21Å; L1311-H1313 PolarHBondContact O-N 3.06Å; L1311-G1314 WeakPolarHBondContact O-CA 3.42Å; L1311-G1314 PolarHBondContact O-N 3.28Å; L1311-G1314 VanDerWaalsContact O-N 3.11Å; L1311-L1315 HydrophobicContact CD2-CD1 4.01Å; L1311-L1315 HydrophobicContact CD2-CD2 4.09Å; L1311-L1315 HydrophobicContact CD2-CG 4.12Å; L1311-L1315 HydrophobicContact CG-CD1 4.27Å; L1311-L1315 WeakPolarHBondContact O-CB 3.47Å; L1311-L1315 WeakPolarHBondContact O-CG 3.41Å; L1311-L1315 PolarHBondContact O-N 3.13Å; L1311-L1430 HydrophobicContact CB-CD1 4.36Å; L1311-L1430 HydrophobicContact CB-CD2 4.48Å; L1311-L1430 HydrophobicContact CD1-CD1 4.47Å |
| 1312 | N | 63.8 | Low | 66.3 | Low | 6.6 Ų | 6.6 | 23.7 Ų | 23.7 | 4% | 0.035 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.5 | -39.8 | 177.2 | -89 | -40 | 0 | 0 | 0 | 112.8 | L1200 L1204 L1207 F1265 M1308 I1309 S1310 G1314 L1315 I1316 | L1200-N1312 WeakPolarHBondContact CD1-OD1 3.09Å; L1200-N1312 PolarHBondContact O-ND2 2.96Å; L1204-N1312 WeakPolarHBondContact CA-ND2 3.33Å; L1204-N1312 VanDerWaalsContact CB-ND2 3.34Å; L1204-N1312 WeakPolarHBondContact CB-ND2 3.45Å; L1204-N1312 HydrophobicContact CD1-CB 3.63Å; L1204-N1312 HydrophobicContact CD2-CB 3.94Å; L1204-N1312 PolarHBondContact N-ND2 3.15Å; L1207-N1312 HydrophobicContact CD1-CB 4.44Å; F1265-N1312 HydrophobicContact CE1-CB 4.43Å; F1265-N1312 WeakPolarHBondContact CE1-OD1 3.36Å; M1308-N1312 WeakPolarHBondContact O-CB 3.33Å; M1308-N1312 PolarHBondContact O-N 3.17Å; M1308-N1312 PolarHBondContact O-ND2 3.07Å; M1308-N1312 PolarHBondContact O-OD1 2.89Å; I1309-N1312 PolarHBondContact O-N 3.11Å; I1309-N1312 VanDerWaalsContact O-N 3.15Å; S1310-N1312 VanDerWaalsContact C-N 3.34Å; S1310-N1312 PolarHBondContact O-N 2.83Å; N1312-G1314 VanDerWaalsContact C-N 3.32Å; N1312-G1314 PolarHBondContact O-N 3.23Å; N1312-L1315 WeakPolarHBondContact O-CB 3.32Å; N1312-L1315 PolarHBondContact O-N 3.17Å; N1312-L1315 VanDerWaalsContact O-N 3.12Å; N1312-I1316 WeakPolarHBondContact O-CD1 3.32Å; N1312-I1316 VanDerWaalsContact O-CG1 3.31Å; N1312-I1316 WeakPolarHBondContact O-CG1 3.39Å; N1312-I1316 PolarHBondContact O-N 3.29Å; N1312-I1316 VanDerWaalsContact O-N 3.12Å |
| 1313 | H | 69.5 | Low | 66.8 | Low | 21.8 Ų | 21.8 | 23.1 Ų | 23.1 | 10% | 0.101 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.6 | -46.5 | 171.6 | -71.1 | -165.5 | 0 | 0 | 0 | 110.8 | L1204 Q1208 I1309 S1310 L1311 L1315 I1316 I1317 L1353 I1426 | L1204-H1313 VanDerWaalsContact CD1-CD2 3.46Å; L1204-H1313 WeakPolarHBondContact CD1-CD2 3.42Å; L1204-H1313 WeakPolarHBondContact CD1-NE2 3.46Å; Q1208-H1313 PolarHBondContact NE2-CE1 3.22Å; Q1208-H1313 VanDerWaalsContact NE2-CE1 3.32Å; Q1208-H1313 PolarHBondContact NE2-NE2 3.28Å; I1309-H1313 WeakPolarHBondContact CG2-NE2 3.36Å; I1309-H1313 PolarHBondContact O-CD2 3.19Å; I1309-H1313 PolarHBondContact O-N 3.09Å; S1310-H1313 PolarHBondContact O-N 3.13Å; L1311-H1313 PolarHBondContact O-N 3.06Å; H1313-L1315 VanDerWaalsContact C-N 3.31Å; H1313-L1315 PolarHBondContact O-N 3.28Å; H1313-I1316 PolarHBondContact O-N 3.13Å; H1313-I1316 VanDerWaalsContact O-N 3.07Å; H1313-I1317 HydrophobicContact CB-CD1 4.36Å; H1313-I1317 WeakPolarHBondContact O-CB 3.39Å; H1313-I1317 VanDerWaalsContact O-CD1 3.27Å; H1313-I1317 WeakPolarHBondContact O-CD1 3.36Å; H1313-I1317 VanDerWaalsContact O-CG1 3.28Å; H1313-I1317 WeakPolarHBondContact O-CG1 3.4Å; H1313-I1317 PolarHBondContact O-N 3.1Å; H1313-L1353 HydrophobicContact CB-CD1 4.27Å; H1313-I1426 HydrophobicContact CB-CD1 3.96Å |
| 1314 | G | 67.8 | Low | 67.4 | Low | 3.4 Ų | 3.4 | 20.2 Ų | 20.2 | 4% | 0.035 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.9 | -37.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1310 L1311 N1312 N1318 F1423 | S1310-G1314 PolarHBondContact O-N 3.18Å; L1311-G1314 WeakPolarHBondContact O-CA 3.42Å; L1311-G1314 PolarHBondContact O-N 3.28Å; L1311-G1314 VanDerWaalsContact O-N 3.11Å; N1312-G1314 VanDerWaalsContact C-N 3.32Å; N1312-G1314 PolarHBondContact O-N 3.23Å; G1314-N1318 VanDerWaalsContact O-CB 3.28Å; G1314-N1318 WeakPolarHBondContact O-CB 3.41Å; G1314-N1318 PolarHBondContact O-N 3.08Å; G1314-F1423 WeakPolarHBondContact O-CD2 3.33Å; G1314-F1423 WeakPolarHBondContact O-CE2 3.27Å |
| 1315 | L | 64.5 | Low | 68.3 | Low | 17.8 Ų | 17.8 | 23.7 Ų | 23.7 | 9% | 0.093 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64 | -44.1 | 175.1 | -73.9 | 173.7 | 0 | 0 | 0 | 112.7 | L1163 L1200 F1265 Q1266 L1271 L1311 N1312 H1313 N1318 H1319 | L1163-L1315 HydrophobicContact CD1-CD2 3.61Å; L1163-L1315 VanDerWaalsContact CD1-CD2 3.44Å; L1163-L1315 HydrophobicContact CD2-CD2 3.6Å; L1163-L1315 HydrophobicContact CG-CD2 4.16Å; L1200-L1315 HydrophobicContact CD1-CB 3.96Å; L1200-L1315 HydrophobicContact CD1-CD1 4.47Å; L1200-L1315 HydrophobicContact CD2-CB 4.31Å; L1200-L1315 HydrophobicContact CD2-CD1 4.34Å; F1265-L1315 HydrophobicContact CD1-CD1 3.87Å; F1265-L1315 HydrophobicContact CD2-CD2 4.02Å; F1265-L1315 HydrophobicContact CE1-CD1 3.74Å; F1265-L1315 HydrophobicContact CE2-CD2 3.42Å; F1265-L1315 VanDerWaalsContact CE2-CD2 3.47Å; F1265-L1315 HydrophobicContact CE2-CG 4.14Å; F1265-L1315 HydrophobicContact CZ-CD2 3.65Å; F1265-L1315 HydrophobicContact CZ-CG 3.86Å; Q1266-L1315 HydrophobicContact CB-CD1 4.12Å; Q1266-L1315 HydrophobicContact CG-CD1 3.95Å; Q1266-L1315 VanDerWaalsContact OE1-CD1 3.25Å; L1271-L1315 HydrophobicContact CD2-CD1 4.31Å; L1311-L1315 HydrophobicContact CD2-CD1 4.01Å; L1311-L1315 HydrophobicContact CD2-CD2 4.09Å; L1311-L1315 HydrophobicContact CD2-CG 4.12Å; L1311-L1315 HydrophobicContact CG-CD1 4.27Å; L1311-L1315 WeakPolarHBondContact O-CB 3.47Å; L1311-L1315 WeakPolarHBondContact O-CG 3.41Å; L1311-L1315 PolarHBondContact O-N 3.13Å; N1312-L1315 WeakPolarHBondContact O-CB 3.32Å; N1312-L1315 PolarHBondContact O-N 3.17Å; N1312-L1315 VanDerWaalsContact O-N 3.12Å; H1313-L1315 VanDerWaalsContact C-N 3.31Å; H1313-L1315 PolarHBondContact O-N 3.28Å; L1315-N1318 PolarHBondContact O-N 2.81Å; L1315-H1319 PolarHBondContact O-N 3.06Å; L1315-H1319 PolarHBondContact O-ND1 3.25Å |
| 1316 | I | 67.3 | Low | 68.4 | Low | 13.8 Ų | 13.8 | 26.7 Ų | 26.7 | 7% | 0.071 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.8 | -44.4 | -179.4 | -63.5 | 162.3 | 0 | 0 | 0 | 110 | L1200 L1204 N1312 H1313 N1318 H1319 G1320 T1349 A1350 L1353 | L1200-I1316 HydrophobicContact CB-CD1 4.33Å; L1200-I1316 HydrophobicContact CB-CG1 4.34Å; L1200-I1316 HydrophobicContact CD2-CB 4.14Å; L1200-I1316 HydrophobicContact CD2-CD1 3.88Å; L1200-I1316 HydrophobicContact CD2-CG1 3.86Å; L1200-I1316 HydrophobicContact CG-CD1 4.17Å; L1200-I1316 HydrophobicContact CG-CG1 3.47Å; L1200-I1316 VanDerWaalsContact CG-CG1 3.47Å; L1204-I1316 HydrophobicContact CD1-CD1 3.96Å; L1204-I1316 HydrophobicContact CD2-CD1 3.99Å; N1312-I1316 WeakPolarHBondContact O-CD1 3.32Å; N1312-I1316 VanDerWaalsContact O-CG1 3.31Å; N1312-I1316 WeakPolarHBondContact O-CG1 3.39Å; N1312-I1316 PolarHBondContact O-N 3.29Å; N1312-I1316 VanDerWaalsContact O-N 3.12Å; H1313-I1316 PolarHBondContact O-N 3.13Å; H1313-I1316 VanDerWaalsContact O-N 3.07Å; I1316-N1318 VanDerWaalsContact C-N 3.32Å; I1316-N1318 PolarHBondContact O-N 3.17Å; I1316-H1319 WeakPolarHBondContact O-CB 3.41Å; I1316-H1319 PolarHBondContact O-N 3.24Å; I1316-H1319 VanDerWaalsContact O-N 3.09Å; I1316-G1320 PolarHBondContact O-N 3.11Å; I1316-T1349 HydrophobicContact CG2-CG2 4Å; I1316-A1350 HydrophobicContact CG2-CB 4.39Å; I1316-L1353 HydrophobicContact CB-CD1 3.69Å; I1316-L1353 HydrophobicContact CD1-CD1 3.8Å; I1316-L1353 HydrophobicContact CG1-CD1 4.35Å; I1316-L1353 HydrophobicContact CG2-CD1 3.62Å; I1316-L1353 HydrophobicContact CG2-CG 4.46Å |
| 1317 | I | 71.6 | Confident | 68.5 | Low | 0.6 Ų | 0.6 | 24.1 Ų | 24.1 | 0% | 0.003 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 177.1 | -66.6 | 161 | 0 | 0 | 0 | 111 | H1313 H1319 G1320 I1321 L1353 L1419 H1422 F1423 I1426 | H1313-I1317 HydrophobicContact CB-CD1 4.36Å; H1313-I1317 WeakPolarHBondContact O-CB 3.39Å; H1313-I1317 VanDerWaalsContact O-CD1 3.27Å; H1313-I1317 WeakPolarHBondContact O-CD1 3.36Å; H1313-I1317 VanDerWaalsContact O-CG1 3.28Å; H1313-I1317 WeakPolarHBondContact O-CG1 3.4Å; H1313-I1317 PolarHBondContact O-N 3.1Å; I1317-H1319 VanDerWaalsContact C-N 3.31Å; I1317-H1319 PolarHBondContact O-N 3.07Å; I1317-G1320 WeakPolarHBondContact O-CA 3.36Å; I1317-G1320 PolarHBondContact O-N 3.21Å; I1317-G1320 VanDerWaalsContact O-N 3.11Å; I1317-I1321 HydrophobicContact CG2-CD1 4.1Å; I1317-I1321 WeakPolarHBondContact O-CG1 3.4Å; I1317-I1321 PolarHBondContact O-N 3.03Å; I1317-L1353 HydrophobicContact CG1-CD1 4.48Å; I1317-L1419 HydrophobicContact CG1-CD2 4.49Å; I1317-L1419 HydrophobicContact CG2-CB 4.09Å; I1317-L1419 HydrophobicContact CG2-CD2 4.02Å; I1317-L1419 VanDerWaalsContact CG2-O 3.28Å; I1317-L1419 WeakPolarHBondContact CG2-O 3.37Å; I1317-H1422 HydrophobicContact CD1-CB 4.38Å; I1317-H1422 WeakPolarHBondContact CD1-CD2 3.48Å; I1317-F1423 HydrophobicContact CG2-CB 3.87Å; I1317-F1423 HydrophobicContact CG2-CD2 4.47Å; I1317-I1426 HydrophobicContact CD1-CD1 3.5Å; I1317-I1426 VanDerWaalsContact CD1-CD1 3.48Å |
| 1318 | N | 73.7 | Confident | 68.1 | Low | 31.2 Ų | 31.2 | 28.5 Ų | 28.5 | 17% | 0.167 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.6 | -33.9 | 175.5 | -156.2 | 63.5 | 0 | 0 | 0 | 112.9 | F1264 F1265 G1314 L1315 I1316 G1320 I1321 E1322 F1423 | F1264-N1318 WeakPolarHBondContact CD2-ND2 3.43Å; F1264-N1318 WeakPolarHBondContact CE1-ND2 3.41Å; F1264-N1318 HydrophobicContact CE2-CB 4.25Å; F1264-N1318 WeakPolarHBondContact CE2-ND2 3.46Å; F1264-N1318 HydrophobicContact CZ-CB 4.42Å; F1264-N1318 WeakPolarHBondContact CZ-ND2 3.49Å; F1265-N1318 HydrophobicContact CZ-CB 4.33Å; F1265-N1318 WeakPolarHBondContact CZ-ND2 3.44Å; G1314-N1318 VanDerWaalsContact O-CB 3.28Å; G1314-N1318 WeakPolarHBondContact O-CB 3.41Å; G1314-N1318 PolarHBondContact O-N 3.08Å; L1315-N1318 PolarHBondContact O-N 2.81Å; I1316-N1318 VanDerWaalsContact C-N 3.32Å; I1316-N1318 PolarHBondContact O-N 3.17Å; N1318-G1320 VanDerWaalsContact C-N 3.33Å; N1318-G1320 PolarHBondContact O-N 3.2Å; N1318-I1321 PolarHBondContact O-N 3.32Å; N1318-E1322 PolarHBondContact ND2-OE1 3.16Å; N1318-E1322 PolarHBondContact ND2-OE2 3.06Å; N1318-E1322 WeakPolarHBondContact O-CB 3.24Å; N1318-E1322 WeakPolarHBondContact O-CG 3.38Å; N1318-E1322 PolarHBondContact O-N 2.95Å; N1318-F1423 HydrophobicContact CB-CD2 4.15Å; N1318-F1423 HydrophobicContact CB-CE2 3.85Å; N1318-F1423 HydrophobicContact CB-CZ 4.42Å |
| 1319 | H | 68 | Low | 67.6 | Low | 34.6 Ų | 34.6 | 35.6 Ų | 35.6 | 16% | 0.16 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 171.1 | -85.5 | 84.5 | 0 | 0 | 0 | 111.5 | F1264 L1315 I1316 I1317 I1321 E1322 A1323 | F1264-H1319 AromaticContact CE1-CD2 3.91Å; F1264-H1319 AromaticContact CE1-CE1 3.33Å; F1264-H1319 WeakPolarHBondContact CE1-CE1 3.21Å; F1264-H1319 AromaticContact CE1-ND1 3.75Å; F1264-H1319 AromaticContact CE1-NE2 3.43Å; F1264-H1319 WeakPolarHBondContact CE1-NE2 3.48Å; F1264-H1319 AromaticContact CE2-CE1 3.61Å; F1264-H1319 AromaticContact CE2-ND1 3.96Å; F1264-H1319 AromaticContact CE2-NE2 3.75Å; F1264-H1319 AromaticContact CZ-CD2 3.92Å; F1264-H1319 AromaticContact CZ-CE1 3.67Å; F1264-H1319 VanDerWaalsContact CZ-CE1 3.49Å; F1264-H1319 WeakPolarHBondContact CZ-CE1 3.45Å; F1264-H1319 AromaticContact CZ-CG 3.87Å; F1264-H1319 AromaticContact CZ-ND1 3.4Å; F1264-H1319 WeakPolarHBondContact CZ-ND1 3.39Å; F1264-H1319 AromaticContact CZ-NE2 3.45Å; F1264-H1319 WeakPolarHBondContact CZ-NE2 3.2Å; L1315-H1319 PolarHBondContact O-N 3.06Å; L1315-H1319 PolarHBondContact O-ND1 3.25Å; I1316-H1319 WeakPolarHBondContact O-CB 3.41Å; I1316-H1319 PolarHBondContact O-N 3.24Å; I1316-H1319 VanDerWaalsContact O-N 3.09Å; I1317-H1319 VanDerWaalsContact C-N 3.31Å; I1317-H1319 PolarHBondContact O-N 3.07Å; H1319-I1321 VanDerWaalsContact C-N 3.34Å; H1319-I1321 PolarHBondContact O-N 2.95Å; H1319-E1322 PolarHBondContact O-N 2.92Å; H1319-A1323 VanDerWaalsContact O-CB 3.24Å; H1319-A1323 WeakPolarHBondContact O-CB 3.38Å; H1319-A1323 PolarHBondContact O-N 3.18Å |
| 1320 | G | 72 | Confident | 66.8 | Low | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.8 | -44.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1316 I1317 N1318 A1323 I1324 | I1316-G1320 PolarHBondContact O-N 3.11Å; I1317-G1320 WeakPolarHBondContact O-CA 3.36Å; I1317-G1320 PolarHBondContact O-N 3.21Å; I1317-G1320 VanDerWaalsContact O-N 3.11Å; N1318-G1320 VanDerWaalsContact C-N 3.33Å; N1318-G1320 PolarHBondContact O-N 3.2Å; G1320-A1323 PolarHBondContact O-N 3.06Å; G1320-I1324 WeakPolarHBondContact O-CG1 3.39Å; G1320-I1324 PolarHBondContact O-N 3.11Å; G1320-I1324 VanDerWaalsContact O-N 3.1Å |
| 1321 | I | 76.3 | Confident | 65.9 | Low | 8.2 Ų | 8.2 | 42.2 Ų | 42.2 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.7 | -46.8 | 176.9 | -65.2 | 166.2 | 0 | 0 | 0 | 111.5 | I1317 N1318 H1319 A1323 I1324 K1325 L1419 F1423 | I1317-I1321 HydrophobicContact CG2-CD1 4.1Å; I1317-I1321 WeakPolarHBondContact O-CG1 3.4Å; I1317-I1321 PolarHBondContact O-N 3.03Å; N1318-I1321 PolarHBondContact O-N 3.32Å; H1319-I1321 VanDerWaalsContact C-N 3.34Å; H1319-I1321 PolarHBondContact O-N 2.95Å; I1321-A1323 VanDerWaalsContact C-N 3.33Å; I1321-A1323 PolarHBondContact O-N 2.86Å; I1321-I1324 WeakPolarHBondContact O-CB 3.22Å; I1321-I1324 PolarHBondContact O-N 3.03Å; I1321-K1325 HydrophobicContact CG2-CD 4.14Å; I1321-K1325 VanDerWaalsContact CG2-CE 3.45Å; I1321-K1325 VanDerWaalsContact CG2-NZ 3.29Å; I1321-K1325 WeakPolarHBondContact O-CG 3.43Å; I1321-K1325 PolarHBondContact O-N 3.09Å; I1321-K1325 VanDerWaalsContact O-N 3.13Å; I1321-L1419 HydrophobicContact CD1-CB 4.03Å; I1321-L1419 HydrophobicContact CG1-CB 3.56Å; I1321-L1419 HydrophobicContact CG1-CD1 4.25Å; I1321-F1423 HydrophobicContact CD1-CB 4.08Å; I1321-F1423 HydrophobicContact CD1-CG 4.47Å |
| 1322 | E | 73.2 | Confident | 65.1 | Low | 40 Ų | 40 | 46.2 Ų | 46.2 | 19% | 0.187 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68 | -34.3 | 178.7 | -77 | -130.6 | 175.6 | 0 | 0 | 112.2 | R1141 R1148 S1165 N1318 H1319 I1324 K1325 Q1326 | R1141-E1322 IonicContact NH2-OE2 3.33Å; R1148-E1322 IonicContact CZ-OE1 2.71Å; R1148-E1322 IonicContact CZ-OE2 2.68Å; R1148-E1322 VanDerWaalsContact NH1-CD 3.35Å; R1148-E1322 IonicContact NH1-OE1 2.8Å; R1148-E1322 PolarHBondContact NH1-OE1 3.1Å; R1148-E1322 IonicContact NH1-OE2 2.99Å; R1148-E1322 PolarHBondContact NH1-OE2 3.38Å; R1148-E1322 IonicContact NH2-OE1 3.14Å; R1148-E1322 PolarHBondContact NH2-OE1 3.22Å; R1148-E1322 IonicContact NH2-OE2 3.99Å; S1165-E1322 WeakPolarHBondContact CB-OE2 3.34Å; S1165-E1322 PolarHBondContact OG-OE2 2.71Å; N1318-E1322 PolarHBondContact ND2-OE1 3.16Å; N1318-E1322 PolarHBondContact ND2-OE2 3.06Å; N1318-E1322 WeakPolarHBondContact O-CB 3.24Å; N1318-E1322 WeakPolarHBondContact O-CG 3.38Å; N1318-E1322 PolarHBondContact O-N 2.95Å; H1319-E1322 PolarHBondContact O-N 2.92Å; E1322-I1324 VanDerWaalsContact C-N 3.29Å; E1322-I1324 PolarHBondContact O-N 3.3Å; E1322-K1325 CarbonylContact O-C 3.59Å; E1322-K1325 PolarHBondContact O-N 3.15Å; E1322-K1325 WeakPolarHBondContact OE1-CD 3.44Å; E1322-K1325 IonicContact OE1-NZ 3.08Å; E1322-K1325 PolarHBondContact OE1-NZ 3.38Å; E1322-Q1326 WeakPolarHBondContact O-CB 3.34Å; E1322-Q1326 VanDerWaalsContact O-CG 3.27Å; E1322-Q1326 WeakPolarHBondContact O-CG 3.29Å; E1322-Q1326 PolarHBondContact O-N 3.21Å; E1322-Q1326 PolarHBondContact O-NE2 3.09Å; E1322-Q1326 PolarHBondContact OE2-NE2 3.01Å; E1322-Q1326 VanDerWaalsContact OE2-NE2 3.12Å |
| 1323 | A | 72.4 | Confident | 64.1 | Low | 6.8 Ų | 6.8 | 50.9 Ų | 50.9 | 6% | 0.056 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | H1319 G1320 I1321 K1325 Q1326 N1327 T1343 D1346 | H1319-A1323 VanDerWaalsContact O-CB 3.24Å; H1319-A1323 WeakPolarHBondContact O-CB 3.38Å; H1319-A1323 PolarHBondContact O-N 3.18Å; G1320-A1323 PolarHBondContact O-N 3.06Å; I1321-A1323 VanDerWaalsContact C-N 3.33Å; I1321-A1323 PolarHBondContact O-N 2.86Å; A1323-K1325 VanDerWaalsContact C-N 3.33Å; A1323-K1325 PolarHBondContact O-N 3.02Å; A1323-Q1326 PolarHBondContact O-N 2.92Å; A1323-Q1326 VanDerWaalsContact O-N 3.15Å; A1323-N1327 WeakPolarHBondContact O-CB 3.29Å; A1323-N1327 PolarHBondContact O-N 3.21Å; A1323-T1343 HydrophobicContact CB-CG2 3.91Å; A1323-T1343 VanDerWaalsContact O-CG2 3.27Å; A1323-T1343 WeakPolarHBondContact O-CG2 3.36Å; A1323-D1346 HydrophobicContact CB-CB 3.79Å; A1323-D1346 WeakPolarHBondContact CB-OD2 3.2Å |
| 1324 | I | 74.9 | Confident | 63.3 | Low | 15 Ų | 15 | 56.4 Ų | 56.4 | 8% | 0.077 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.2 | -51.5 | 171 | -69 | 166.2 | 0 | 0 | 0 | 110.4 | G1320 I1321 E1322 Q1326 N1327 I1347 I1412 V1415 E1416 L1419 | G1320-I1324 WeakPolarHBondContact O-CG1 3.39Å; G1320-I1324 PolarHBondContact O-N 3.11Å; G1320-I1324 VanDerWaalsContact O-N 3.1Å; I1321-I1324 WeakPolarHBondContact O-CB 3.22Å; I1321-I1324 PolarHBondContact O-N 3.03Å; E1322-I1324 VanDerWaalsContact C-N 3.29Å; E1322-I1324 PolarHBondContact O-N 3.3Å; I1324-Q1326 VanDerWaalsContact C-N 3.32Å; I1324-Q1326 PolarHBondContact O-N 3.11Å; I1324-Q1326 VanDerWaalsContact O-N 3.15Å; I1324-N1327 VanDerWaalsContact O-CB 3.29Å; I1324-N1327 WeakPolarHBondContact O-CB 3.33Å; I1324-N1327 PolarHBondContact O-N 3.19Å; I1324-N1327 VanDerWaalsContact O-N 3.12Å; I1324-I1347 HydrophobicContact CD1-CD1 4.3Å; I1324-I1347 HydrophobicContact CD1-CG1 4.23Å; I1324-I1347 HydrophobicContact CG1-CD1 3.5Å; I1324-I1347 VanDerWaalsContact CG1-CD1 3.48Å; I1324-I1347 HydrophobicContact CG1-CG1 3.77Å; I1324-I1412 HydrophobicContact CG1-CG2 4.35Å; I1324-I1412 HydrophobicContact CG2-CG2 3.69Å; I1324-V1415 HydrophobicContact CD1-CB 4.42Å; I1324-V1415 HydrophobicContact CD1-CG1 3.91Å; I1324-E1416 HydrophobicContact CD1-CB 4.1Å; I1324-E1416 HydrophobicContact CD1-CG 4.39Å; I1324-E1416 HydrophobicContact CG2-CB 4.27Å; I1324-E1416 HydrophobicContact CG2-CG 4.25Å; I1324-L1419 HydrophobicContact CD1-CD1 3.94Å |
| 1325 | K | 76.6 | Confident | 63 | Low | 121.4 Ų | 121.4 | 60.7 Ų | 60.7 | 53% | 0.528 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -14.6 | -178.8 | -67.3 | 172.4 | -171.4 | 164.9 | 0 | 114.4 | I1321 E1322 A1323 N1327 E1416 | I1321-K1325 HydrophobicContact CG2-CD 4.14Å; I1321-K1325 VanDerWaalsContact CG2-CE 3.45Å; I1321-K1325 VanDerWaalsContact CG2-NZ 3.29Å; I1321-K1325 WeakPolarHBondContact O-CG 3.43Å; I1321-K1325 PolarHBondContact O-N 3.09Å; I1321-K1325 VanDerWaalsContact O-N 3.13Å; E1322-K1325 CarbonylContact O-C 3.59Å; E1322-K1325 PolarHBondContact O-N 3.15Å; E1322-K1325 WeakPolarHBondContact OE1-CD 3.44Å; E1322-K1325 IonicContact OE1-NZ 3.08Å; E1322-K1325 PolarHBondContact OE1-NZ 3.38Å; A1323-K1325 VanDerWaalsContact C-N 3.33Å; A1323-K1325 PolarHBondContact O-N 3.02Å; K1325-N1327 VanDerWaalsContact C-N 3.3Å; K1325-E1416 WeakPolarHBondContact CE-OE1 3.31Å; K1325-E1416 IonicContact NZ-OE1 3.07Å; K1325-E1416 PolarHBondContact NZ-OE1 3.05Å |
| 1326 | Q | 64.8 | Low | 62.9 | Low | 66 Ų | 66 | 66.7 Ų | 66.7 | 31% | 0.308 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 0.6 | -177.6 | -70.7 | -174.3 | 20.6 | 0 | 0 | 113.5 | R1141 N1167 E1322 A1323 I1324 D1328 | R1141-Q1326 VanDerWaalsContact CZ-CD 3.48Å; R1141-Q1326 VanDerWaalsContact NH2-NE2 3.14Å; N1167-Q1326 VanDerWaalsContact ND2-CD 3.28Å; N1167-Q1326 PolarHBondContact ND2-OE1 3.31Å; E1322-Q1326 WeakPolarHBondContact O-CB 3.34Å; E1322-Q1326 VanDerWaalsContact O-CG 3.27Å; E1322-Q1326 WeakPolarHBondContact O-CG 3.29Å; E1322-Q1326 PolarHBondContact O-N 3.21Å; E1322-Q1326 PolarHBondContact O-NE2 3.09Å; E1322-Q1326 PolarHBondContact OE2-NE2 3.01Å; E1322-Q1326 VanDerWaalsContact OE2-NE2 3.12Å; A1323-Q1326 PolarHBondContact O-N 2.92Å; A1323-Q1326 VanDerWaalsContact O-N 3.15Å; I1324-Q1326 VanDerWaalsContact C-N 3.32Å; I1324-Q1326 PolarHBondContact O-N 3.11Å; I1324-Q1326 VanDerWaalsContact O-N 3.15Å; Q1326-D1328 PolarHBondContact O-N 3.28Å |
| 1327 | N | 66.5 | Low | 63 | Low | 12.8 Ų | 12.8 | 66.9 Ų | 66.9 | 7% | 0.068 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -79.8 | 112.8 | 161 | -106 | -12.9 | 0 | 0 | 0 | 108.6 | A1323 I1324 K1325 E1329 V1338 L1339 K1340 T1343 | A1323-N1327 WeakPolarHBondContact O-CB 3.29Å; A1323-N1327 PolarHBondContact O-N 3.21Å; I1324-N1327 VanDerWaalsContact O-CB 3.29Å; I1324-N1327 WeakPolarHBondContact O-CB 3.33Å; I1324-N1327 PolarHBondContact O-N 3.19Å; I1324-N1327 VanDerWaalsContact O-N 3.12Å; K1325-N1327 VanDerWaalsContact C-N 3.3Å; N1327-E1329 WeakPolarHBondContact O-CA 3.42Å; N1327-E1329 WeakPolarHBondContact O-CG 3.36Å; N1327-E1329 PolarHBondContact O-N 2.87Å; N1327-V1338 PolarHBondContact ND2-O 3.2Å; N1327-V1338 PolarHBondContact OD1-O 3.11Å; N1327-L1339 WeakPolarHBondContact ND2-CD2 3.37Å; N1327-L1339 WeakPolarHBondContact OD1-CA 3.43Å; N1327-K1340 PolarHBondContact OD1-N 3.01Å; N1327-T1343 HydrophobicContact CB-CG2 4.23Å; N1327-T1343 WeakPolarHBondContact ND2-CG2 3.36Å |
| 1328 | D | 52.3 | Low | 63 | Low | 119.8 Ų | 119.8 | 67.7 Ų | 67.7 | 64% | 0.641 | 34% | 0.341 | S | S | * | . | trans | -53.9 | 120.6 | 169.7 | -74.1 | -57.1 | 0 | 0 | 0 | 109.5 | Q1326 S1330 K1340 | Q1326-D1328 PolarHBondContact O-N 3.28Å; D1328-S1330 PolarHBondContact O-N 3.07Å; D1328-S1330 PolarHBondContact O-OG 2.87Å; D1328-K1340 WeakPolarHBondContact OD2-CE 3.46Å; D1328-K1340 IonicContact OD2-NZ 2.66Å; D1328-K1340 PolarHBondContact OD2-NZ 3.14Å | ||
| 1329 | E | 50.4 | Low | 63.1 | Low | 159.2 Ų | 159.2 | 66.2 Ų | 66.2 | 74% | 0.744 | 33% | 0.333 | S | S | * | . | trans | -70.2 | 71.8 | -175.5 | -71 | -168.5 | 128.3 | 0 | 0 | 111.9 | I786 N1327 E1331 | I786-E1329 HydrophobicContact CD1-CB 3.39Å; I786-E1329 HydrophobicContact CD1-CG 4.21Å; I786-E1329 WeakPolarHBondContact CD1-OE2 3.46Å; I786-E1329 HydrophobicContact CG1-CB 4.45Å; I786-E1329 WeakPolarHBondContact CG1-OE2 3.29Å; N1327-E1329 WeakPolarHBondContact O-CA 3.42Å; N1327-E1329 WeakPolarHBondContact O-CG 3.36Å; N1327-E1329 PolarHBondContact O-N 2.87Å; E1329-E1331 VanDerWaalsContact C-N 3.34Å; E1329-E1331 PolarHBondContact O-N 3.16Å; E1329-E1331 VanDerWaalsContact O-N 3.13Å | ||
| 1330 | S | 47.2 | Very low | 63.5 | Low | 67 Ų | 67 | 69.7 Ų | 69.7 | 47% | 0.469 | 35% | 0.347 | S | S | . | . | trans | -73.8 | 70.4 | 160.3 | 54 | 0 | 0 | 0 | 0 | 109.1 | D1328 F1332 | D1328-S1330 PolarHBondContact O-N 3.07Å; D1328-S1330 PolarHBondContact O-OG 2.87Å; S1330-F1332 WeakPolarHBondContact O-CD2 3.44Å; S1330-F1332 PolarHBondContact O-N 2.95Å | ||
| 1331 | E | 47.9 | Very low | 63.5 | Low | 107.4 Ų | 107.4 | 73.3 Ų | 73.3 | 50% | 0.502 | 36% | 0.361 | S | S | . | . | trans | -55.1 | 103.5 | 169.4 | -80.8 | -155.6 | 128.6 | 0 | 0 | 108.9 | H784 I786 E1329 S1409 | H784-E1331 WeakPolarHBondContact CA-OE1 3.34Å; H784-E1331 WeakPolarHBondContact CB-OE1 3.19Å; H784-E1331 VanDerWaalsContact CB-OE2 3.31Å; H784-E1331 WeakPolarHBondContact CB-OE2 3.45Å; H784-E1331 IonicContact CD2-OE2 3.93Å; H784-E1331 IonicContact CE1-OE1 3.29Å; H784-E1331 PolarHBondContact CE1-OE1 3.4Å; H784-E1331 IonicContact CG-OE1 2.73Å; H784-E1331 VanDerWaalsContact CG-OE1 3.23Å; H784-E1331 IonicContact CG-OE2 3.13Å; H784-E1331 IonicContact ND1-OE1 3.74Å; H784-E1331 PolarHBondContact ND1-OE1 3.08Å; H784-E1331 IonicContact ND1-OE2 2.62Å; I786-E1331 HydrophobicContact CD1-CB 4.48Å; I786-E1331 HydrophobicContact CD1-CG 3.48Å; I786-E1331 VanDerWaalsContact CD1-CG 3.48Å; I786-E1331 WeakPolarHBondContact CD1-OE1 3.22Å; E1329-E1331 VanDerWaalsContact C-N 3.34Å; E1329-E1331 PolarHBondContact O-N 3.16Å; E1329-E1331 VanDerWaalsContact O-N 3.13Å; E1331-S1409 WeakPolarHBondContact OE1-CB 3.34Å; E1331-S1409 PolarHBondContact OE1-OG 3.38Å; E1331-S1409 VanDerWaalsContact OE1-OG 3.09Å | ||
| 1332 | F | 45.6 | Very low | 63.2 | Low | 116 Ų | 116 | 76.2 Ų | 76.2 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | B | Isolated β-bridge | trans | -66.2 | 139.1 | 168.1 | -94.5 | -100.7 | 0 | 0 | 0 | 108 | S1330 N1334 N1335 R1336 V1338 R1941 | S1330-F1332 WeakPolarHBondContact O-CD2 3.44Å; S1330-F1332 PolarHBondContact O-N 2.95Å; F1332-N1334 PolarHBondContact O-N 3.34Å; F1332-N1334 VanDerWaalsContact O-N 3.13Å; F1332-N1335 PolarHBondContact O-N 3.01Å; F1332-R1336 HydrophobicContact CB-CB 4.32Å; F1332-R1336 PolarHBondContact N-O 3.12Å; F1332-R1336 VanDerWaalsContact N-O 3.14Å; F1332-R1336 PolarHBondContact O-N 3.35Å; F1332-V1338 HydrophobicContact CD2-CG2 3.72Å; F1332-V1338 HydrophobicContact CE2-CG2 3.92Å; F1332-V1338 HydrophobicContact CG-CG2 4.47Å; F1332-R1941 VanDerWaalsContact CE2-NH1 3.34Å |
| 1333 | P | 43.6 | Very low | 63.4 | Low | 106 Ų | 106 | 74.9 Ų | 74.9 | 69% | 0.688 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 133.7 | 174 | 22.1 | -32.7 | 0 | 0 | 0 | 109.4 | ||
| 1334 | N | 52 | Low | 63.7 | Low | 138.2 Ų | 138.2 | 74.5 Ų | 74.5 | 74% | 0.739 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | 46.3 | -167.9 | -41.8 | -67.1 | 0 | 0 | 0 | 116.1 | F1332 R1336 | F1332-N1334 PolarHBondContact O-N 3.34Å; F1332-N1334 VanDerWaalsContact O-N 3.13Å; N1334-R1336 VanDerWaalsContact C-N 3.32Å; N1334-R1336 WeakPolarHBondContact O-CG 3.36Å; N1334-R1336 PolarHBondContact O-N 3.13Å; N1334-R1336 VanDerWaalsContact O-N 3.12Å |
| 1335 | N | 62 | Low | 63.7 | Low | 93.2 Ų | 93.2 | 75.9 Ų | 75.9 | 50% | 0.498 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 36.7 | 163.4 | -59 | 16.7 | 0 | 0 | 0 | 115.5 | N781 H784 F1332 Q1408 S1409 | N781-N1335 PolarHBondContact OD1-ND2 3.41Å; H784-N1335 PolarHBondContact NE2-OD1 3.48Å; F1332-N1335 PolarHBondContact O-N 3.01Å; N1335-Q1408 WeakPolarHBondContact O-CA 3.29Å; N1335-S1409 WeakPolarHBondContact CB-OG 3.22Å; N1335-S1409 PolarHBondContact O-N 3.2Å; N1335-S1409 PolarHBondContact O-OG 3.07Å |
| 1336 | R | 62.9 | Low | 63.6 | Low | 143.4 Ų | 143.4 | 71.5 Ų | 71.5 | 54% | 0.541 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 124.9 | -179.6 | -73.6 | 175 | -174.6 | -163.8 | -0.4 | 111.4 | F1332 N1334 V1406 C1407 | F1332-R1336 HydrophobicContact CB-CB 4.32Å; F1332-R1336 PolarHBondContact N-O 3.12Å; F1332-R1336 VanDerWaalsContact N-O 3.14Å; F1332-R1336 PolarHBondContact O-N 3.35Å; N1334-R1336 VanDerWaalsContact C-N 3.32Å; N1334-R1336 WeakPolarHBondContact O-CG 3.36Å; N1334-R1336 PolarHBondContact O-N 3.13Å; N1334-R1336 VanDerWaalsContact O-N 3.12Å; R1336-V1406 HydrophobicContact CB-CG1 4.18Å; R1336-V1406 HydrophobicContact CG-CG1 4.25Å; R1336-C1407 CarbonylContact C-O 3.57Å; R1336-C1407 WeakPolarHBondContact CA-O 3.41Å |
| 1337 | C | 69.5 | Low | 64.3 | Low | 18.6 Ų | 18.6 | 68.3 Ų | 68.3 | 13% | 0.126 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 145.5 | 170.1 | -173.4 | 0 | 0 | 0 | 0 | 109.5 | C1407 I1412 | C1337-C1407 PolarHBondContact N-O 3.08Å; C1337-C1407 PolarHBondContact O-N 3.02Å; C1337-C1407 VanDerWaalsContact O-N 3.13Å; C1337-I1412 HydrophobicContact CB-CG1 4.11Å |
| 1338 | V | 71.6 | Confident | 65.2 | Low | 17 Ų | 17 | 68.1 Ų | 68.1 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 116.9 | -179.8 | 175.8 | 0 | 0 | 0 | 0 | 108.8 | N1327 F1332 N1404 I1405 R1941 | N1327-V1338 PolarHBondContact ND2-O 3.2Å; N1327-V1338 PolarHBondContact OD1-O 3.11Å; F1332-V1338 HydrophobicContact CD2-CG2 3.72Å; F1332-V1338 HydrophobicContact CE2-CG2 3.92Å; F1332-V1338 HydrophobicContact CG-CG2 4.47Å; V1338-N1404 HydrophobicContact CG1-CB 3.57Å; V1338-N1404 VanDerWaalsContact CG1-CB 3.45Å; V1338-N1404 VanDerWaalsContact CG1-CG 3.42Å; V1338-I1405 CarbonylContact C-O 3.4Å; V1338-I1405 WeakPolarHBondContact CA-O 3.33Å; V1338-R1941 VanDerWaalsContact CG1-NH2 3.29Å |
| 1339 | L | 74.4 | Confident | 66.4 | Low | 0.4 Ų | 0.4 | 63.8 Ų | 63.8 | 0% | 0.002 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 134.5 | 179.6 | -47.8 | 179.4 | 0 | 0 | 0 | 110.2 | N1327 T1343 A1344 I1347 I1388 N1404 I1405 I1412 | N1327-L1339 WeakPolarHBondContact ND2-CD2 3.37Å; N1327-L1339 WeakPolarHBondContact OD1-CA 3.43Å; L1339-T1343 HydrophobicContact CB-CG2 4.16Å; L1339-T1343 HydrophobicContact CD2-CG2 4.01Å; L1339-T1343 HydrophobicContact CG-CG2 4.5Å; L1339-A1344 HydrophobicContact CB-CB 4.19Å; L1339-A1344 HydrophobicContact CD1-CB 4.09Å; L1339-I1347 HydrophobicContact CD1-CD1 4.06Å; L1339-I1347 HydrophobicContact CD2-CD1 4.28Å; L1339-I1388 HydrophobicContact CD1-CD1 4.39Å; L1339-N1404 CarbonylContact O-C 3.48Å; L1339-N1404 WeakPolarHBondContact O-CA 3.33Å; L1339-I1405 HydrophobicContact CB-CB 4.32Å; L1339-I1405 HydrophobicContact CB-CG2 4.45Å; L1339-I1405 HydrophobicContact CD1-CG2 4.16Å; L1339-I1405 PolarHBondContact N-O 3Å; L1339-I1405 PolarHBondContact O-N 3.02Å; L1339-I1412 HydrophobicContact CD1-CD1 4.12Å; L1339-I1412 HydrophobicContact CD2-CD1 3.95Å; L1339-I1412 HydrophobicContact CD2-CG1 4.38Å; L1339-I1412 HydrophobicContact CG-CD1 4.46Å |
| 1340 | K | 76.4 | Confident | 67.8 | Low | 106.8 Ų | 106.8 | 56.2 Ų | 56.2 | 46% | 0.464 | 28% | 0.283 | S | S | . | . | trans | -62.4 | 151 | 162.3 | -66.8 | 170.2 | -175.3 | 164.9 | 0 | 109.5 | N1327 D1328 Q1342 T1343 A1344 | N1327-K1340 PolarHBondContact OD1-N 3.01Å; D1328-K1340 WeakPolarHBondContact OD2-CE 3.46Å; D1328-K1340 IonicContact OD2-NZ 2.66Å; D1328-K1340 PolarHBondContact OD2-NZ 3.14Å; K1340-Q1342 VanDerWaalsContact C-N 3.3Å; K1340-Q1342 PolarHBondContact O-N 3.17Å; K1340-Q1342 VanDerWaalsContact O-N 3.16Å; K1340-T1343 WeakPolarHBondContact O-CB 3.38Å; K1340-T1343 PolarHBondContact O-N 3.06Å; K1340-T1343 VanDerWaalsContact O-N 3.13Å; K1340-A1344 PolarHBondContact O-N 3.09Å | ||
| 1341 | R | 72.4 | Confident | 69.5 | Low | 76.6 Ų | 76.6 | 53.1 Ų | 53.1 | 29% | 0.289 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56 | -41.5 | -176.2 | -171.7 | -175.7 | -178.7 | 114.2 | 3.5 | 112.9 | A1344 I1345 L1392 S1395 | R1341-A1344 WeakPolarHBondContact O-CB 3.36Å; R1341-A1344 PolarHBondContact O-N 3.17Å; R1341-I1345 HydrophobicContact CG-CD1 4.35Å; R1341-I1345 WeakPolarHBondContact O-CG1 3.42Å; R1341-I1345 PolarHBondContact O-N 3.12Å; R1341-I1345 VanDerWaalsContact O-N 3.12Å; R1341-L1392 HydrophobicContact CG-CD2 3.93Å; R1341-L1392 PolarHBondContact NH1-O 3.27Å; R1341-L1392 PolarHBondContact NH2-O 3.15Å; R1341-S1395 VanDerWaalsContact CZ-O 3.31Å; R1341-S1395 PolarHBondContact NH1-O 3.01Å; R1341-S1395 PolarHBondContact NH1-OG 3.07Å; R1341-S1395 PolarHBondContact NH2-O 3.17Å; R1341-S1395 PolarHBondContact NH2-OG 3.22Å; R1341-S1395 VanDerWaalsContact NH2-OG 3.14Å |
| 1342 | Q | 71 | Confident | 71.2 | Confident | 68.8 Ų | 68.8 | 51.7 Ų | 51.7 | 32% | 0.321 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.4 | -49.4 | 177.8 | -171.7 | 58 | 44.4 | 0 | 0 | 111.4 | K1340 A1344 I1345 D1346 | K1340-Q1342 VanDerWaalsContact C-N 3.3Å; K1340-Q1342 PolarHBondContact O-N 3.17Å; K1340-Q1342 VanDerWaalsContact O-N 3.16Å; Q1342-A1344 PolarHBondContact O-N 3.26Å; Q1342-A1344 VanDerWaalsContact O-N 3.1Å; Q1342-I1345 CarbonylContact O-C 3.55Å; Q1342-I1345 WeakPolarHBondContact O-CA 3.43Å; Q1342-I1345 WeakPolarHBondContact O-CB 3.4Å; Q1342-I1345 PolarHBondContact O-N 3.17Å; Q1342-D1346 VanDerWaalsContact C-OD2 3.3Å; Q1342-D1346 PolarHBondContact NE2-OD1 3.03Å; Q1342-D1346 VanDerWaalsContact O-CG 3.26Å; Q1342-D1346 PolarHBondContact O-N 3.12Å |
| 1343 | T | 76 | Confident | 72.7 | Confident | 11.8 Ų | 11.8 | 47.2 Ų | 47.2 | 7% | 0.072 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -52.6 | -40.2 | 175.1 | -56 | 0 | 0 | 0 | 0 | 112.8 | A1323 N1327 L1339 K1340 I1345 D1346 I1347 | A1323-T1343 HydrophobicContact CB-CG2 3.91Å; A1323-T1343 VanDerWaalsContact O-CG2 3.27Å; A1323-T1343 WeakPolarHBondContact O-CG2 3.36Å; N1327-T1343 HydrophobicContact CB-CG2 4.23Å; N1327-T1343 WeakPolarHBondContact ND2-CG2 3.36Å; L1339-T1343 HydrophobicContact CB-CG2 4.16Å; L1339-T1343 HydrophobicContact CD2-CG2 4.01Å; L1339-T1343 HydrophobicContact CG-CG2 4.5Å; K1340-T1343 WeakPolarHBondContact O-CB 3.38Å; K1340-T1343 PolarHBondContact O-N 3.06Å; K1340-T1343 VanDerWaalsContact O-N 3.13Å; T1343-I1345 VanDerWaalsContact C-N 3.34Å; T1343-I1345 PolarHBondContact O-N 3.38Å; T1343-D1346 VanDerWaalsContact CA-OD2 3.3Å; T1343-D1346 WeakPolarHBondContact CA-OD2 3.16Å; T1343-D1346 PolarHBondContact N-OD2 2.6Å; T1343-D1346 PolarHBondContact O-N 3.11Å; T1343-I1347 HydrophobicContact CG2-CD1 3.73Å; T1343-I1347 HydrophobicContact CG2-CG1 4.47Å; T1343-I1347 WeakPolarHBondContact O-CB 3.39Å; T1343-I1347 VanDerWaalsContact O-CD1 3.32Å; T1343-I1347 WeakPolarHBondContact O-CD1 3.24Å; T1343-I1347 VanDerWaalsContact O-CG1 3.23Å; T1343-I1347 WeakPolarHBondContact O-CG1 3.4Å; T1343-I1347 PolarHBondContact O-N 3.09Å |
| 1344 | A | 78.6 | Confident | 74.3 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.3 | -31.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1339 K1340 R1341 Q1342 A1348 I1388 L1392 I1405 | L1339-A1344 HydrophobicContact CB-CB 4.19Å; L1339-A1344 HydrophobicContact CD1-CB 4.09Å; K1340-A1344 PolarHBondContact O-N 3.09Å; R1341-A1344 WeakPolarHBondContact O-CB 3.36Å; R1341-A1344 PolarHBondContact O-N 3.17Å; Q1342-A1344 PolarHBondContact O-N 3.26Å; Q1342-A1344 VanDerWaalsContact O-N 3.1Å; A1344-A1348 VanDerWaalsContact O-CB 3.31Å; A1344-A1348 WeakPolarHBondContact O-CB 3.37Å; A1344-A1348 PolarHBondContact O-N 2.98Å; A1344-A1348 VanDerWaalsContact O-N 3.08Å; A1344-I1388 HydrophobicContact CB-CG2 4Å; A1344-I1388 WeakPolarHBondContact O-CG2 3.37Å; A1344-L1392 HydrophobicContact CB-CD2 4.19Å; A1344-L1392 HydrophobicContact CB-CG 4.46Å; A1344-I1405 HydrophobicContact CB-CB 4.12Å; A1344-I1405 HydrophobicContact CB-CD1 3.67Å; A1344-I1405 HydrophobicContact CB-CG1 4.24Å; A1344-I1405 HydrophobicContact CB-CG2 4.13Å |
| 1345 | I | 76.5 | Confident | 75.6 | Confident | 43.8 Ų | 43.8 | 37.1 Ų | 37.1 | 23% | 0.225 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.6 | -51.6 | 171.1 | -64.7 | 164.8 | 0 | 0 | 0 | 109.6 | R1341 Q1342 T1343 I1347 A1348 T1349 L1392 | R1341-I1345 HydrophobicContact CG-CD1 4.35Å; R1341-I1345 WeakPolarHBondContact O-CG1 3.42Å; R1341-I1345 PolarHBondContact O-N 3.12Å; R1341-I1345 VanDerWaalsContact O-N 3.12Å; Q1342-I1345 CarbonylContact O-C 3.55Å; Q1342-I1345 WeakPolarHBondContact O-CA 3.43Å; Q1342-I1345 WeakPolarHBondContact O-CB 3.4Å; Q1342-I1345 PolarHBondContact O-N 3.17Å; T1343-I1345 VanDerWaalsContact C-N 3.34Å; T1343-I1345 PolarHBondContact O-N 3.38Å; I1345-I1347 VanDerWaalsContact C-N 3.27Å; I1345-I1347 PolarHBondContact O-N 3.03Å; I1345-I1347 VanDerWaalsContact O-N 3.17Å; I1345-A1348 WeakPolarHBondContact O-CA 3.45Å; I1345-A1348 PolarHBondContact O-N 3.25Å; I1345-T1349 HydrophobicContact CG2-CG2 4.32Å; I1345-T1349 PolarHBondContact O-N 3.26Å; I1345-T1349 PolarHBondContact O-OG1 3.03Å; I1345-T1349 VanDerWaalsContact O-OG1 3.14Å; I1345-L1392 HydrophobicContact CD1-CD2 4.37Å; I1345-L1392 HydrophobicContact CG1-CD1 3.96Å; I1345-L1392 HydrophobicContact CG1-CD2 3.72Å; I1345-L1392 HydrophobicContact CG1-CG 4.47Å |
| 1346 | D | 73.5 | Confident | 76.1 | Confident | 28.4 Ų | 28.4 | 35.8 Ų | 35.8 | 15% | 0.152 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.2 | -38.7 | -178.6 | -52.7 | -30.8 | 0 | 0 | 0 | 111.7 | D1197 A1323 Q1342 T1343 T1349 A1350 | D1197-D1346 WeakPolarHBondContact OD2-CA 3.19Å; A1323-D1346 HydrophobicContact CB-CB 3.79Å; A1323-D1346 WeakPolarHBondContact CB-OD2 3.2Å; Q1342-D1346 VanDerWaalsContact C-OD2 3.3Å; Q1342-D1346 PolarHBondContact NE2-OD1 3.03Å; Q1342-D1346 VanDerWaalsContact O-CG 3.26Å; Q1342-D1346 PolarHBondContact O-N 3.12Å; T1343-D1346 VanDerWaalsContact CA-OD2 3.3Å; T1343-D1346 WeakPolarHBondContact CA-OD2 3.16Å; T1343-D1346 PolarHBondContact N-OD2 2.6Å; T1343-D1346 PolarHBondContact O-N 3.11Å; D1346-T1349 PolarHBondContact O-OG1 3.45Å; D1346-A1350 VanDerWaalsContact O-CB 3.26Å; D1346-A1350 WeakPolarHBondContact O-CB 3.35Å; D1346-A1350 PolarHBondContact O-N 3Å; D1346-A1350 VanDerWaalsContact O-N 3.1Å |
| 1347 | I | 80.7 | Confident | 76.3 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.1 | -42.5 | 174.3 | -69.8 | 164.9 | 0 | 0 | 0 | 111.9 | I1324 L1339 T1343 I1345 A1350 L1351 I1388 V1415 | I1324-I1347 HydrophobicContact CD1-CD1 4.3Å; I1324-I1347 HydrophobicContact CD1-CG1 4.23Å; I1324-I1347 HydrophobicContact CG1-CD1 3.5Å; I1324-I1347 VanDerWaalsContact CG1-CD1 3.48Å; I1324-I1347 HydrophobicContact CG1-CG1 3.77Å; L1339-I1347 HydrophobicContact CD1-CD1 4.06Å; L1339-I1347 HydrophobicContact CD2-CD1 4.28Å; T1343-I1347 HydrophobicContact CG2-CD1 3.73Å; T1343-I1347 HydrophobicContact CG2-CG1 4.47Å; T1343-I1347 WeakPolarHBondContact O-CB 3.39Å; T1343-I1347 VanDerWaalsContact O-CD1 3.32Å; T1343-I1347 WeakPolarHBondContact O-CD1 3.24Å; T1343-I1347 VanDerWaalsContact O-CG1 3.23Å; T1343-I1347 WeakPolarHBondContact O-CG1 3.4Å; T1343-I1347 PolarHBondContact O-N 3.09Å; I1345-I1347 VanDerWaalsContact C-N 3.27Å; I1345-I1347 PolarHBondContact O-N 3.03Å; I1345-I1347 VanDerWaalsContact O-N 3.17Å; I1347-A1350 PolarHBondContact O-N 3.09Å; I1347-L1351 HydrophobicContact CG2-CD1 3.87Å; I1347-L1351 HydrophobicContact CG2-CG 4.44Å; I1347-L1351 WeakPolarHBondContact O-CB 3.38Å; I1347-L1351 VanDerWaalsContact O-CG 3.32Å; I1347-L1351 WeakPolarHBondContact O-CG 3.46Å; I1347-L1351 PolarHBondContact O-N 3.2Å; I1347-I1388 HydrophobicContact CG2-CD1 3.83Å; I1347-V1415 HydrophobicContact CG2-CG1 3.99Å |
| 1348 | A | 83.9 | Confident | 76.3 | Confident | 6.8 Ų | 6.8 | 34 Ų | 34 | 6% | 0.056 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.2 | -44.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | A1344 I1345 A1350 L1351 Q1352 I1388 L1392 | A1344-A1348 VanDerWaalsContact O-CB 3.31Å; A1344-A1348 WeakPolarHBondContact O-CB 3.37Å; A1344-A1348 PolarHBondContact O-N 2.98Å; A1344-A1348 VanDerWaalsContact O-N 3.08Å; I1345-A1348 WeakPolarHBondContact O-CA 3.45Å; I1345-A1348 PolarHBondContact O-N 3.25Å; A1348-A1350 VanDerWaalsContact C-N 3.29Å; A1348-A1350 PolarHBondContact O-N 3.03Å; A1348-L1351 PolarHBondContact O-N 3.14Å; A1348-L1351 VanDerWaalsContact O-N 3.14Å; A1348-Q1352 PolarHBondContact O-N 3.27Å; A1348-I1388 HydrophobicContact CB-CG2 4.21Å; A1348-L1392 HydrophobicContact CB-CD1 4.3Å |
| 1349 | T | 77.3 | Confident | 75.9 | Confident | 31 Ų | 31 | 36.8 Ų | 36.8 | 19% | 0.19 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.1 | -36.6 | 176.6 | -38.1 | 0 | 0 | 0 | 0 | 111.6 | D1197 I1316 I1345 D1346 Q1352 L1353 | D1197-T1349 HydrophobicContact CB-CG2 4.39Å; D1197-T1349 VanDerWaalsContact OD1-CG2 3.28Å; D1197-T1349 WeakPolarHBondContact OD1-CG2 3.41Å; D1197-T1349 PolarHBondContact OD1-OG1 3.2Å; D1197-T1349 VanDerWaalsContact OD2-CB 3.31Å; D1197-T1349 WeakPolarHBondContact OD2-CB 3.27Å; D1197-T1349 WeakPolarHBondContact OD2-CG2 3.19Å; D1197-T1349 PolarHBondContact OD2-OG1 3.05Å; I1316-T1349 HydrophobicContact CG2-CG2 4Å; I1345-T1349 HydrophobicContact CG2-CG2 4.32Å; I1345-T1349 PolarHBondContact O-N 3.26Å; I1345-T1349 PolarHBondContact O-OG1 3.03Å; I1345-T1349 VanDerWaalsContact O-OG1 3.14Å; D1346-T1349 PolarHBondContact O-OG1 3.45Å; T1349-Q1352 PolarHBondContact O-N 2.88Å; T1349-L1353 PolarHBondContact O-N 3.4Å |
| 1350 | A | 80 | Confident | 75.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -72.1 | -33.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I1316 D1346 I1347 A1348 I1354 L1419 | I1316-A1350 HydrophobicContact CG2-CB 4.39Å; D1346-A1350 VanDerWaalsContact O-CB 3.26Å; D1346-A1350 WeakPolarHBondContact O-CB 3.35Å; D1346-A1350 PolarHBondContact O-N 3Å; D1346-A1350 VanDerWaalsContact O-N 3.1Å; I1347-A1350 PolarHBondContact O-N 3.09Å; A1348-A1350 VanDerWaalsContact C-N 3.29Å; A1348-A1350 PolarHBondContact O-N 3.03Å; A1350-I1354 PolarHBondContact O-N 2.83Å; A1350-L1419 HydrophobicContact CB-CD1 4.33Å; A1350-L1419 HydrophobicContact CB-CD2 3.67Å |
| 1351 | L | 84.3 | Confident | 74 | Confident | 0.8 Ų | 0.8 | 39.4 Ų | 39.4 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.2 | -40.7 | 173.2 | -77.8 | 169.8 | 0 | 0 | 0 | 112.3 | I1347 A1348 L1353 I1354 E1355 L1381 I1384 H1385 I1388 V1415 | I1347-L1351 HydrophobicContact CG2-CD1 3.87Å; I1347-L1351 HydrophobicContact CG2-CG 4.44Å; I1347-L1351 WeakPolarHBondContact O-CB 3.38Å; I1347-L1351 VanDerWaalsContact O-CG 3.32Å; I1347-L1351 WeakPolarHBondContact O-CG 3.46Å; I1347-L1351 PolarHBondContact O-N 3.2Å; A1348-L1351 PolarHBondContact O-N 3.14Å; A1348-L1351 VanDerWaalsContact O-N 3.14Å; L1351-L1353 VanDerWaalsContact C-N 3.27Å; L1351-L1353 PolarHBondContact O-N 3.06Å; L1351-I1354 WeakPolarHBondContact O-CB 3.41Å; L1351-I1354 PolarHBondContact O-N 3.32Å; L1351-I1354 VanDerWaalsContact O-N 3.11Å; L1351-E1355 WeakPolarHBondContact O-CG 3.29Å; L1351-E1355 PolarHBondContact O-N 3.08Å; L1351-E1355 VanDerWaalsContact O-N 3.08Å; L1351-L1381 HydrophobicContact CD2-CB 4.4Å; L1351-L1381 HydrophobicContact CD2-CD2 3.91Å; L1351-I1384 HydrophobicContact CD1-CG2 4.37Å; L1351-H1385 HydrophobicContact CB-CB 4.05Å; L1351-H1385 HydrophobicContact CD1-CB 3.98Å; L1351-I1388 HydrophobicContact CD1-CD1 4.48Å; L1351-V1415 HydrophobicContact CD1-CG1 4.18Å; L1351-V1415 HydrophobicContact CD1-CG2 4.06Å; L1351-V1415 HydrophobicContact CD2-CG1 4.05Å; L1351-V1415 HydrophobicContact CD2-CG2 4.2Å; L1351-V1415 HydrophobicContact CG-CG1 4.19Å |
| 1352 | Q | 83.7 | Confident | 72.6 | Confident | 78.6 Ų | 78.6 | 38 Ų | 38 | 37% | 0.367 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -55.9 | -40.8 | 177 | -176.1 | 106.1 | 36 | 0 | 0 | 111.8 | A1348 T1349 I1354 E1355 D1356 H1385 | A1348-Q1352 PolarHBondContact O-N 3.27Å; T1349-Q1352 PolarHBondContact O-N 2.88Å; Q1352-I1354 VanDerWaalsContact C-N 3.32Å; Q1352-I1354 PolarHBondContact O-N 2.9Å; Q1352-E1355 WeakPolarHBondContact O-CB 3.25Å; Q1352-E1355 PolarHBondContact O-N 3.05Å; Q1352-E1355 VanDerWaalsContact O-N 3.14Å; Q1352-D1356 PolarHBondContact NE2-OD1 2.87Å; Q1352-D1356 PolarHBondContact NE2-OD2 3.11Å; Q1352-D1356 WeakPolarHBondContact O-CB 3.4Å; Q1352-D1356 VanDerWaalsContact O-CG 3.32Å; Q1352-D1356 PolarHBondContact O-N 2.89Å; Q1352-H1385 PolarHBondContact OE1-CE1 3.19Å |
| 1353 | L | 76.5 | Confident | 71.1 | Confident | 20.2 Ų | 20.2 | 39.1 Ų | 39.1 | 11% | 0.106 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.3 | -37.4 | 175.6 | -77.4 | 175.2 | 0 | 0 | 0 | 113.6 | L1204 H1313 I1316 I1317 T1349 L1351 D1356 E1357 | L1204-L1353 HydrophobicContact CD2-CD2 3.82Å; H1313-L1353 HydrophobicContact CB-CD1 4.27Å; I1316-L1353 HydrophobicContact CB-CD1 3.69Å; I1316-L1353 HydrophobicContact CD1-CD1 3.8Å; I1316-L1353 HydrophobicContact CG1-CD1 4.35Å; I1316-L1353 HydrophobicContact CG2-CD1 3.62Å; I1316-L1353 HydrophobicContact CG2-CG 4.46Å; I1317-L1353 HydrophobicContact CG1-CD1 4.48Å; T1349-L1353 PolarHBondContact O-N 3.4Å; L1351-L1353 VanDerWaalsContact C-N 3.27Å; L1351-L1353 PolarHBondContact O-N 3.06Å; L1353-D1356 PolarHBondContact O-N 2.88Å; L1353-E1357 VanDerWaalsContact O-CB 3.29Å; L1353-E1357 WeakPolarHBondContact O-CB 3.43Å; L1353-E1357 PolarHBondContact O-N 3.01Å; L1353-E1357 VanDerWaalsContact O-N 3.1Å |
| 1354 | I | 78.1 | Confident | 69.1 | Low | 11.4 Ų | 11.4 | 41.1 Ų | 41.1 | 6% | 0.058 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.4 | -39.2 | 176.2 | -68.1 | 179.1 | 0 | 0 | 0 | 110.2 | A1350 L1351 Q1352 E1357 Y1358 I1378 L1381 L1419 H1422 | A1350-I1354 PolarHBondContact O-N 2.83Å; L1351-I1354 WeakPolarHBondContact O-CB 3.41Å; L1351-I1354 PolarHBondContact O-N 3.32Å; L1351-I1354 VanDerWaalsContact O-N 3.11Å; Q1352-I1354 VanDerWaalsContact C-N 3.32Å; Q1352-I1354 PolarHBondContact O-N 2.9Å; I1354-E1357 PolarHBondContact O-N 2.9Å; I1354-Y1358 HydrophobicContact CG2-CD2 3.84Å; I1354-Y1358 HydrophobicContact CG2-CE2 4.1Å; I1354-Y1358 VanDerWaalsContact O-CB 3.24Å; I1354-Y1358 WeakPolarHBondContact O-CB 3.4Å; I1354-Y1358 WeakPolarHBondContact O-CD2 3.43Å; I1354-Y1358 PolarHBondContact O-N 3.05Å; I1354-I1378 HydrophobicContact CG2-CD1 4.09Å; I1354-L1381 HydrophobicContact CG2-CD1 4.36Å; I1354-L1419 HydrophobicContact CD1-CD2 3.83Å; I1354-L1419 HydrophobicContact CD1-CG 4.47Å; I1354-H1422 HydrophobicContact CD1-CB 3.91Å; I1354-H1422 HydrophobicContact CG1-CB 4.3Å; I1354-H1422 WeakPolarHBondContact CG1-CD2 3.47Å |
| 1355 | E | 79.2 | Confident | 66.9 | Low | 21.8 Ų | 21.8 | 43.1 Ų | 43.1 | 10% | 0.102 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.8 | -45.2 | 176.6 | -67.6 | 174.7 | -162.9 | 0 | 0 | 111.8 | L1351 Q1352 Y1358 D1359 K1382 H1385 | L1351-E1355 WeakPolarHBondContact O-CG 3.29Å; L1351-E1355 PolarHBondContact O-N 3.08Å; L1351-E1355 VanDerWaalsContact O-N 3.08Å; Q1352-E1355 WeakPolarHBondContact O-CB 3.25Å; Q1352-E1355 PolarHBondContact O-N 3.05Å; Q1352-E1355 VanDerWaalsContact O-N 3.14Å; E1355-Y1358 PolarHBondContact O-N 3.22Å; E1355-D1359 PolarHBondContact O-N 3.27Å; E1355-K1382 VanDerWaalsContact CD-CG 3.46Å; E1355-K1382 HydrophobicContact CG-CD 4.43Å; E1355-K1382 HydrophobicContact CG-CG 3.69Å; E1355-K1382 WeakPolarHBondContact OE1-CA 3.28Å; E1355-H1385 WeakPolarHBondContact OE1-CB 3.38Å; E1355-H1385 IonicContact OE1-CG 3.06Å; E1355-H1385 IonicContact OE1-ND1 3.43Å; E1355-H1385 PolarHBondContact OE1-ND1 3.03Å; E1355-H1385 VanDerWaalsContact OE1-ND1 3.1Å; E1355-H1385 IonicContact OE2-CE1 2.67Å; E1355-H1385 IonicContact OE2-CG 3.36Å; E1355-H1385 IonicContact OE2-ND1 3.41Å; E1355-H1385 PolarHBondContact OE2-ND1 3.23Å |
| 1356 | D | 71.7 | Confident | 64.8 | Low | 66 Ų | 66 | 48.2 Ų | 48.2 | 35% | 0.353 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 178.3 | -68.8 | -20.4 | 0 | 0 | 0 | 111.4 | Q1352 L1353 Y1358 N1360 | Q1352-D1356 PolarHBondContact NE2-OD1 2.87Å; Q1352-D1356 PolarHBondContact NE2-OD2 3.11Å; Q1352-D1356 WeakPolarHBondContact O-CB 3.4Å; Q1352-D1356 VanDerWaalsContact O-CG 3.32Å; Q1352-D1356 PolarHBondContact O-N 2.89Å; L1353-D1356 PolarHBondContact O-N 2.88Å; D1356-Y1358 VanDerWaalsContact C-N 3.33Å; D1356-Y1358 PolarHBondContact O-N 3.34Å; D1356-N1360 WeakPolarHBondContact O-CB 3.45Å; D1356-N1360 PolarHBondContact O-N 3.22Å; D1356-N1360 VanDerWaalsContact O-N 3.14Å; D1356-N1360 PolarHBondContact O-ND2 3.09Å |
| 1357 | E | 68 | Low | 62.9 | Low | 57 Ų | 57 | 52.8 Ų | 52.8 | 27% | 0.266 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.7 | -36.3 | 175.5 | -164.7 | -177.3 | 123 | 0 | 0 | 111.7 | L1353 I1354 N1360 S1361 H1422 K1425 Y1460 | L1353-E1357 VanDerWaalsContact O-CB 3.29Å; L1353-E1357 WeakPolarHBondContact O-CB 3.43Å; L1353-E1357 PolarHBondContact O-N 3.01Å; L1353-E1357 VanDerWaalsContact O-N 3.1Å; I1354-E1357 PolarHBondContact O-N 2.9Å; E1357-N1360 PolarHBondContact O-N 3.09Å; E1357-S1361 WeakPolarHBondContact O-CB 3.32Å; E1357-S1361 PolarHBondContact O-N 3.18Å; E1357-S1361 VanDerWaalsContact O-N 3.11Å; E1357-H1422 VanDerWaalsContact CD-NE2 3.35Å; E1357-H1422 IonicContact OE1-CE1 2.64Å; E1357-H1422 PolarHBondContact OE1-CE1 3.23Å; E1357-H1422 VanDerWaalsContact OE1-CE1 3.32Å; E1357-H1422 IonicContact OE1-NE2 3.33Å; E1357-H1422 IonicContact OE2-CD2 2.78Å; E1357-H1422 IonicContact OE2-CE1 3.37Å; E1357-H1422 PolarHBondContact OE2-CE1 3.28Å; E1357-H1422 IonicContact OE2-NE2 2.96Å; E1357-H1422 PolarHBondContact OE2-NE2 3.43Å; E1357-K1425 IonicContact OE1-NZ 3.64Å; E1357-K1425 PolarHBondContact OE1-NZ 3.11Å; E1357-Y1460 HydrophobicContact CG-CE1 4.23Å; E1357-Y1460 WeakPolarHBondContact OE1-CE1 3.34Å; E1357-Y1460 PolarHBondContact OE1-OH 2.6Å |
| 1358 | Y | 68.1 | Low | 60.5 | Low | 66.6 Ų | 66.6 | 55.7 Ų | 55.7 | 26% | 0.261 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.4 | -47.5 | 177.8 | -160.1 | -92.6 | 0 | 0 | 0 | 112.3 | I1354 E1355 D1356 N1360 S1361 V1362 I1375 I1378 L1464 | I1354-Y1358 HydrophobicContact CG2-CD2 3.84Å; I1354-Y1358 HydrophobicContact CG2-CE2 4.1Å; I1354-Y1358 VanDerWaalsContact O-CB 3.24Å; I1354-Y1358 WeakPolarHBondContact O-CB 3.4Å; I1354-Y1358 WeakPolarHBondContact O-CD2 3.43Å; I1354-Y1358 PolarHBondContact O-N 3.05Å; E1355-Y1358 PolarHBondContact O-N 3.22Å; D1356-Y1358 VanDerWaalsContact C-N 3.33Å; D1356-Y1358 PolarHBondContact O-N 3.34Å; Y1358-N1360 VanDerWaalsContact C-N 3.33Å; Y1358-N1360 PolarHBondContact O-N 3.2Å; Y1358-S1361 CarbonylContact O-C 3.5Å; Y1358-S1361 WeakPolarHBondContact O-CA 3.31Å; Y1358-S1361 WeakPolarHBondContact O-CB 3.27Å; Y1358-S1361 PolarHBondContact O-N 3.09Å; Y1358-S1361 PolarHBondContact O-OG 2.97Å; Y1358-V1362 HydrophobicContact CD1-CG2 3.84Å; Y1358-V1362 HydrophobicContact CE1-CB 4.34Å; Y1358-V1362 HydrophobicContact CE1-CG2 3.39Å; Y1358-V1362 VanDerWaalsContact CE1-CG2 3.45Å; Y1358-V1362 HydrophobicContact CE2-CG2 4.21Å; Y1358-V1362 HydrophobicContact CG-CG2 4.46Å; Y1358-V1362 WeakPolarHBondContact O-CG2 3.39Å; Y1358-V1362 PolarHBondContact O-N 3.2Å; Y1358-V1362 VanDerWaalsContact O-N 3.09Å; Y1358-V1362 WeakPolarHBondContact OH-CG2 3.48Å; Y1358-I1375 HydrophobicContact CE2-CD1 4.3Å; Y1358-I1375 VanDerWaalsContact OH-CD1 3.25Å; Y1358-I1375 WeakPolarHBondContact OH-CD1 3.35Å; Y1358-I1375 WeakPolarHBondContact OH-CG2 3.46Å; Y1358-I1378 HydrophobicContact CD1-CB 4.38Å; Y1358-I1378 HydrophobicContact CD1-CD1 4.31Å; Y1358-I1378 HydrophobicContact CD1-CG1 3.76Å; Y1358-I1378 HydrophobicContact CD1-CG2 4.36Å; Y1358-I1378 HydrophobicContact CD2-CB 4.39Å; Y1358-I1378 HydrophobicContact CD2-CD1 3.98Å; Y1358-I1378 HydrophobicContact CD2-CG1 4.07Å; Y1358-I1378 HydrophobicContact CE1-CB 4.36Å; Y1358-I1378 HydrophobicContact CE1-CD1 4.24Å; Y1358-I1378 HydrophobicContact CE1-CG1 4.06Å; Y1358-I1378 HydrophobicContact CE1-CG2 3.79Å; Y1358-I1378 HydrophobicContact CE2-CB 4.32Å; Y1358-I1378 HydrophobicContact CE2-CD1 4.14Å; Y1358-I1378 HydrophobicContact CE2-CG1 4.26Å; Y1358-I1378 HydrophobicContact CE2-CG2 4.35Å; Y1358-I1378 HydrophobicContact CG-CB 4.43Å; Y1358-I1378 HydrophobicContact CG-CD1 3.89Å; Y1358-I1378 HydrophobicContact CG-CG1 3.75Å; Y1358-L1464 HydrophobicContact CE2-CD1 4.25Å |
| 1359 | D | 64.3 | Low | 57.9 | Low | 75.4 Ų | 75.4 | 63.6 Ų | 63.6 | 40% | 0.403 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.7 | -33.5 | -177.6 | -73.7 | -8.1 | 0 | 0 | 0 | 111.9 | E1355 S1361 V1362 T1363 K1382 | E1355-D1359 PolarHBondContact O-N 3.27Å; D1359-S1361 VanDerWaalsContact C-N 3.33Å; D1359-S1361 PolarHBondContact O-N 3.2Å; D1359-V1362 PolarHBondContact O-N 3.25Å; D1359-T1363 WeakPolarHBondContact O-CB 3.41Å; D1359-T1363 WeakPolarHBondContact O-CG2 3.32Å; D1359-T1363 PolarHBondContact O-N 3.07Å; D1359-T1363 VanDerWaalsContact O-N 3.14Å; D1359-T1363 PolarHBondContact O-OG1 3.15Å; D1359-K1382 IonicContact OD1-NZ 3.22Å; D1359-K1382 PolarHBondContact OD1-NZ 3Å; D1359-K1382 IonicContact OD2-NZ 3.01Å; D1359-K1382 PolarHBondContact OD2-NZ 3.1Å |
| 1360 | N | 57.7 | Low | 55.6 | Low | 108.6 Ų | 108.6 | 68 Ų | 68 | 58% | 0.581 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.1 | -36.1 | 167 | -77.5 | -59.9 | 0 | 0 | 0 | 112.4 | D1356 E1357 Y1358 V1362 T1363 A1364 | D1356-N1360 WeakPolarHBondContact O-CB 3.45Å; D1356-N1360 PolarHBondContact O-N 3.22Å; D1356-N1360 VanDerWaalsContact O-N 3.14Å; D1356-N1360 PolarHBondContact O-ND2 3.09Å; E1357-N1360 PolarHBondContact O-N 3.09Å; Y1358-N1360 VanDerWaalsContact C-N 3.33Å; Y1358-N1360 PolarHBondContact O-N 3.2Å; N1360-V1362 VanDerWaalsContact C-N 3.33Å; N1360-V1362 PolarHBondContact O-N 2.69Å; N1360-T1363 WeakPolarHBondContact CA-OG1 3.28Å; N1360-T1363 PolarHBondContact O-N 3.2Å; N1360-T1363 PolarHBondContact O-OG1 3.15Å; N1360-T1363 VanDerWaalsContact O-OG1 3.08Å; N1360-A1364 WeakPolarHBondContact O-CB 3.49Å; N1360-A1364 PolarHBondContact O-N 3.07Å; N1360-A1364 VanDerWaalsContact O-N 3.14Å |
| 1361 | S | 52.3 | Low | 53.2 | Low | 54.2 Ų | 54.2 | 76.7 Ų | 76.7 | 38% | 0.379 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -72.3 | -34.1 | 177.1 | 81.8 | 0 | 0 | 0 | 0 | 113.3 | E1357 Y1358 D1359 A1364 S1365 | E1357-S1361 WeakPolarHBondContact O-CB 3.32Å; E1357-S1361 PolarHBondContact O-N 3.18Å; E1357-S1361 VanDerWaalsContact O-N 3.11Å; Y1358-S1361 CarbonylContact O-C 3.5Å; Y1358-S1361 WeakPolarHBondContact O-CA 3.31Å; Y1358-S1361 WeakPolarHBondContact O-CB 3.27Å; Y1358-S1361 PolarHBondContact O-N 3.09Å; Y1358-S1361 PolarHBondContact O-OG 2.97Å; D1359-S1361 VanDerWaalsContact C-N 3.33Å; D1359-S1361 PolarHBondContact O-N 3.2Å; S1361-A1364 PolarHBondContact O-N 3.21Å; S1361-S1365 WeakPolarHBondContact O-CB 3.34Å; S1361-S1365 PolarHBondContact O-N 3Å |
| 1362 | V | 43.4 | Very low | 50.8 | Low | 45.8 Ų | 45.8 | 81.6 Ų | 81.6 | 28% | 0.278 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70 | -44 | 177.5 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | Y1358 D1359 N1360 A1364 S1365 M1366 | Y1358-V1362 HydrophobicContact CD1-CG2 3.84Å; Y1358-V1362 HydrophobicContact CE1-CB 4.34Å; Y1358-V1362 HydrophobicContact CE1-CG2 3.39Å; Y1358-V1362 VanDerWaalsContact CE1-CG2 3.45Å; Y1358-V1362 HydrophobicContact CE2-CG2 4.21Å; Y1358-V1362 HydrophobicContact CG-CG2 4.46Å; Y1358-V1362 WeakPolarHBondContact O-CG2 3.39Å; Y1358-V1362 PolarHBondContact O-N 3.2Å; Y1358-V1362 VanDerWaalsContact O-N 3.09Å; Y1358-V1362 WeakPolarHBondContact OH-CG2 3.48Å; D1359-V1362 PolarHBondContact O-N 3.25Å; N1360-V1362 VanDerWaalsContact C-N 3.33Å; N1360-V1362 PolarHBondContact O-N 2.69Å; V1362-A1364 VanDerWaalsContact C-N 3.29Å; V1362-A1364 PolarHBondContact O-N 3.08Å; V1362-S1365 WeakPolarHBondContact CA-OG 3.38Å; V1362-S1365 WeakPolarHBondContact O-CB 3.38Å; V1362-S1365 PolarHBondContact O-N 3.18Å; V1362-S1365 VanDerWaalsContact O-N 3.09Å; V1362-S1365 PolarHBondContact O-OG 3.13Å; V1362-M1366 HydrophobicContact CG1-CE 4.02Å; V1362-M1366 HydrophobicContact CG1-CG 4.46Å; V1362-M1366 VanDerWaalsContact O-CG 3.31Å; V1362-M1366 WeakPolarHBondContact O-CG 3.35Å; V1362-M1366 PolarHBondContact O-N 3.19Å; V1362-M1366 VanDerWaalsContact O-N 3.1Å |
| 1363 | T | 39.2 | Very low | 48.4 | Very low | 92.4 Ų | 92.4 | 85.7 Ų | 85.7 | 57% | 0.567 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62 | -34.5 | 176.8 | 51 | 0 | 0 | 0 | 0 | 112.5 | D1359 N1360 S1365 | D1359-T1363 WeakPolarHBondContact O-CB 3.41Å; D1359-T1363 WeakPolarHBondContact O-CG2 3.32Å; D1359-T1363 PolarHBondContact O-N 3.07Å; D1359-T1363 VanDerWaalsContact O-N 3.14Å; D1359-T1363 PolarHBondContact O-OG1 3.15Å; N1360-T1363 WeakPolarHBondContact CA-OG1 3.28Å; N1360-T1363 PolarHBondContact O-N 3.2Å; N1360-T1363 PolarHBondContact O-OG1 3.15Å; N1360-T1363 VanDerWaalsContact O-OG1 3.08Å; T1363-S1365 VanDerWaalsContact C-N 3.26Å; T1363-S1365 PolarHBondContact O-N 3.5Å |
| 1364 | A | 34.7 | Very low | 46.4 | Very low | 54.4 Ų | 54.4 | 91.7 Ų | 91.7 | 45% | 0.45 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.3 | -38 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1360 S1361 V1362 M1366 T1367 | N1360-A1364 WeakPolarHBondContact O-CB 3.49Å; N1360-A1364 PolarHBondContact O-N 3.07Å; N1360-A1364 VanDerWaalsContact O-N 3.14Å; S1361-A1364 PolarHBondContact O-N 3.21Å; V1362-A1364 VanDerWaalsContact C-N 3.29Å; V1362-A1364 PolarHBondContact O-N 3.08Å; A1364-M1366 VanDerWaalsContact C-N 3.26Å; A1364-M1366 PolarHBondContact O-N 3.04Å; A1364-M1366 VanDerWaalsContact O-N 3.16Å; A1364-T1367 PolarHBondContact O-N 3.12Å; A1364-T1367 PolarHBondContact O-OG1 3.28Å; A1364-T1367 VanDerWaalsContact O-OG1 3.1Å |
| 1365 | S | 31.3 | Very low | 44.8 | Very low | 41.8 Ų | 41.8 | 95.5 Ų | 95.5 | 29% | 0.292 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.6 | -24.3 | -174.9 | 75.3 | 0 | 0 | 0 | 0 | 114.3 | S1361 V1362 T1363 T1367 S1368 | S1361-S1365 WeakPolarHBondContact O-CB 3.34Å; S1361-S1365 PolarHBondContact O-N 3Å; V1362-S1365 WeakPolarHBondContact CA-OG 3.38Å; V1362-S1365 WeakPolarHBondContact O-CB 3.38Å; V1362-S1365 PolarHBondContact O-N 3.18Å; V1362-S1365 VanDerWaalsContact O-N 3.09Å; V1362-S1365 PolarHBondContact O-OG 3.13Å; T1363-S1365 VanDerWaalsContact C-N 3.26Å; T1363-S1365 PolarHBondContact O-N 3.5Å; S1365-T1367 PolarHBondContact O-N 3.15Å; S1365-S1368 PolarHBondContact O-N 3.27Å; S1365-S1368 VanDerWaalsContact O-N 3.14Å; S1365-S1368 VanDerWaalsContact O-O 3.05Å; S1365-S1368 PolarHBondContact O-OG 3.11Å; S1365-S1368 VanDerWaalsContact O-OG 3.1Å |
| 1366 | M | 32.4 | Very low | 43.1 | Very low | 150.2 Ų | 150.2 | 99.3 Ų | 99.3 | 74% | 0.74 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -5.8 | 178.6 | -71.4 | -70.9 | 177.4 | 0 | 0 | 114.4 | V1362 A1364 S1368 | V1362-M1366 HydrophobicContact CG1-CE 4.02Å; V1362-M1366 HydrophobicContact CG1-CG 4.46Å; V1362-M1366 VanDerWaalsContact O-CG 3.31Å; V1362-M1366 WeakPolarHBondContact O-CG 3.35Å; V1362-M1366 PolarHBondContact O-N 3.19Å; V1362-M1366 VanDerWaalsContact O-N 3.1Å; A1364-M1366 VanDerWaalsContact C-N 3.26Å; A1364-M1366 PolarHBondContact O-N 3.04Å; A1364-M1366 VanDerWaalsContact O-N 3.16Å; M1366-S1368 VanDerWaalsContact C-N 3.29Å; M1366-S1368 PolarHBondContact O-N 3.15Å |
| 1367 | T | 35.2 | Very low | 42.8 | Very low | 126.2 Ų | 126.2 | 99.1 Ų | 99.1 | 77% | 0.774 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 6.4 | 175.2 | 57.4 | 0 | 0 | 0 | 0 | 114.6 | A1364 S1365 | A1364-T1367 PolarHBondContact O-N 3.12Å; A1364-T1367 PolarHBondContact O-OG1 3.28Å; A1364-T1367 VanDerWaalsContact O-OG1 3.1Å; S1365-T1367 PolarHBondContact O-N 3.15Å |
| 1368 | S | 30 | Very low | 43 | Very low | 61 Ų | 61 | 97.2 Ų | 97.2 | 43% | 0.427 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -144.6 | 128.9 | 179 | 64.9 | 0 | 0 | 0 | 0 | 113.5 | S1365 M1366 N1370 | S1365-S1368 PolarHBondContact O-N 3.27Å; S1365-S1368 VanDerWaalsContact O-N 3.14Å; S1365-S1368 VanDerWaalsContact O-O 3.05Å; S1365-S1368 PolarHBondContact O-OG 3.11Å; S1365-S1368 VanDerWaalsContact O-OG 3.1Å; M1366-S1368 VanDerWaalsContact C-N 3.29Å; M1366-S1368 PolarHBondContact O-N 3.15Å; S1368-N1370 VanDerWaalsContact C-N 3.32Å; S1368-N1370 PolarHBondContact O-N 3.26Å |
| 1369 | D | 28.3 | Very low | 43.3 | Very low | 171.6 Ų | 171.6 | 99.4 Ų | 99.4 | 92% | 0.918 | 55% | 0.552 | S | S | * | * | trans | -68.8 | 40.8 | -176 | -77.3 | -56.7 | 0 | 0 | 0 | 115.5 | K1371 | D1369-K1371 PolarHBondContact O-N 3.11Š| ||
| 1370 | N | 29.6 | Very low | 43.9 | Very low | 123 Ų | 123 | 99.1 Ų | 99.1 | 66% | 0.658 | 55% | 0.549 | S | S | * | . | trans | -98.2 | 107 | 176.5 | -82.5 | -41.6 | 0 | 0 | 0 | 111.4 | S1368 T1372 | S1368-N1370 VanDerWaalsContact C-N 3.32Å; S1368-N1370 PolarHBondContact O-N 3.26Å; N1370-T1372 PolarHBondContact O-N 3.11Å; N1370-T1372 VanDerWaalsContact O-N 3.13Å | ||
| 1371 | K | 28.8 | Very low | 45.1 | Very low | 184.6 Ų | 184.6 | 94.4 Ų | 94.4 | 80% | 0.803 | 52% | 0.523 | S | S | * | . | trans | -60.2 | 96.8 | -179.8 | -61.8 | 174.4 | -178.3 | 176.7 | 0 | 112.2 | D1369 Q1373 | D1369-K1371 PolarHBondContact O-N 3.11Å; K1371-Q1373 PolarHBondContact O-N 3.1Å; K1371-Q1373 VanDerWaalsContact O-N 3.07Å | ||
| 1372 | T | 34.7 | Very low | 46.7 | Very low | 102.6 Ų | 102.6 | 94.1 Ų | 94.1 | 63% | 0.629 | 52% | 0.515 | S | S | * | . | trans | -52.5 | 101.6 | 163.3 | 43.5 | 0 | 0 | 0 | 0 | 111.2 | N1370 N1374 | N1370-T1372 PolarHBondContact O-N 3.11Å; N1370-T1372 VanDerWaalsContact O-N 3.13Å; T1372-N1374 PolarHBondContact O-N 2.72Å | ||
| 1373 | Q | 32.6 | Very low | 48.6 | Very low | 164.2 Ų | 164.2 | 99.1 Ų | 99.1 | 77% | 0.767 | 53% | 0.53 | S | S | * | . | trans | -77.3 | 131.1 | 171.7 | -67.7 | -178.4 | -54 | 0 | 0 | 110 | K1371 I1375 | K1371-Q1373 PolarHBondContact O-N 3.1Å; K1371-Q1373 VanDerWaalsContact O-N 3.07Å; Q1373-I1375 PolarHBondContact O-N 3.12Å | ||
| 1374 | N | 34.9 | Very low | 50.7 | Low | 146.8 Ų | 146.8 | 94.9 Ų | 94.9 | 79% | 0.785 | 50% | 0.504 | S | S | * | . | trans | 19 | 89.8 | 172.6 | -60.6 | 2.9 | 0 | 0 | 0 | 115.4 | T1372 P1376 | T1372-N1374 PolarHBondContact O-N 2.72Å; N1374-P1376 HydrophobicContact CB-CG 4.45Å; N1374-P1376 VanDerWaalsContact O-CD 3.26Å; N1374-P1376 WeakPolarHBondContact O-CD 3.27Å | ||
| 1375 | I | 44.5 | Very low | 53.3 | Low | 91 Ų | 91 | 93.2 Ų | 93.2 | 47% | 0.467 | 49% | 0.487 | S | S | . | . | trans | -90.1 | 46.9 | 166.7 | -62.2 | 170.8 | 0 | 0 | 0 | 110.8 | Y1358 Q1373 N1377 I1378 L1464 | Y1358-I1375 HydrophobicContact CE2-CD1 4.3Å; Y1358-I1375 VanDerWaalsContact OH-CD1 3.25Å; Y1358-I1375 WeakPolarHBondContact OH-CD1 3.35Å; Y1358-I1375 WeakPolarHBondContact OH-CG2 3.46Å; Q1373-I1375 PolarHBondContact O-N 3.12Å; I1375-N1377 VanDerWaalsContact C-N 3.31Å; I1375-N1377 PolarHBondContact O-N 3.12Å; I1375-I1378 HydrophobicContact CG2-CB 4.43Å; I1375-I1378 WeakPolarHBondContact O-CG2 3.46Å; I1375-I1378 PolarHBondContact O-N 3.24Å; I1375-L1464 HydrophobicContact CD1-CD1 3.85Å; I1375-L1464 HydrophobicContact CG1-CD1 4.29Å; I1375-L1464 HydrophobicContact CG2-CD1 3.92Å; I1375-L1464 HydrophobicContact CG2-CD2 4.07Å; I1375-L1464 HydrophobicContact CG2-CG 4.48Å | ||
| 1376 | P | 43.7 | Very low | 55.9 | Low | 102.8 Ų | 102.8 | 98.7 Ų | 98.7 | 67% | 0.668 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -3.5 | -165.7 | 20.3 | -24.8 | 0 | 0 | 0 | 115.6 | N1374 | N1374-P1376 HydrophobicContact CB-CG 4.45Å; N1374-P1376 VanDerWaalsContact O-CD 3.26Å; N1374-P1376 WeakPolarHBondContact O-CD 3.27Å |
| 1377 | N | 64.1 | Low | 58.3 | Low | 61.4 Ų | 61.4 | 93.6 Ų | 93.6 | 33% | 0.328 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -88.1 | -25.3 | -178 | -104.9 | 0.5 | 0 | 0 | 0 | 113.5 | I1375 D1379 H1380 L1381 L1414 I1467 | I1375-N1377 VanDerWaalsContact C-N 3.31Å; I1375-N1377 PolarHBondContact O-N 3.12Å; N1377-D1379 VanDerWaalsContact C-N 3.34Å; N1377-D1379 PolarHBondContact O-N 3.16Å; N1377-H1380 PolarHBondContact O-N 3.13Å; N1377-H1380 VanDerWaalsContact O-N 3.1Å; N1377-L1381 HydrophobicContact CB-CD1 4.44Å; N1377-L1381 WeakPolarHBondContact O-CG 3.28Å; N1377-L1381 PolarHBondContact O-N 3.27Å; N1377-L1381 VanDerWaalsContact O-N 3.12Å; N1377-L1414 WeakPolarHBondContact ND2-CD2 3.46Å; N1377-I1467 VanDerWaalsContact ND2-CD1 3.33Å; N1377-I1467 WeakPolarHBondContact ND2-CD1 3.32Å; N1377-I1467 VanDerWaalsContact ND2-CG2 3.26Å; N1377-I1467 WeakPolarHBondContact ND2-CG2 3.35Å |
| 1378 | I | 73.2 | Confident | 60.6 | Low | 15.6 Ų | 15.6 | 87.6 Ų | 87.6 | 8% | 0.08 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -69.3 | -38.1 | -173.2 | -159.6 | 68.6 | 0 | 0 | 0 | 112.4 | I1354 Y1358 I1375 H1380 L1381 K1382 | I1354-I1378 HydrophobicContact CG2-CD1 4.09Å; Y1358-I1378 HydrophobicContact CD1-CB 4.38Å; Y1358-I1378 HydrophobicContact CD1-CD1 4.31Å; Y1358-I1378 HydrophobicContact CD1-CG1 3.76Å; Y1358-I1378 HydrophobicContact CD1-CG2 4.36Å; Y1358-I1378 HydrophobicContact CD2-CB 4.39Å; Y1358-I1378 HydrophobicContact CD2-CD1 3.98Å; Y1358-I1378 HydrophobicContact CD2-CG1 4.07Å; Y1358-I1378 HydrophobicContact CE1-CB 4.36Å; Y1358-I1378 HydrophobicContact CE1-CD1 4.24Å; Y1358-I1378 HydrophobicContact CE1-CG1 4.06Å; Y1358-I1378 HydrophobicContact CE1-CG2 3.79Å; Y1358-I1378 HydrophobicContact CE2-CB 4.32Å; Y1358-I1378 HydrophobicContact CE2-CD1 4.14Å; Y1358-I1378 HydrophobicContact CE2-CG1 4.26Å; Y1358-I1378 HydrophobicContact CE2-CG2 4.35Å; Y1358-I1378 HydrophobicContact CG-CB 4.43Å; Y1358-I1378 HydrophobicContact CG-CD1 3.89Å; Y1358-I1378 HydrophobicContact CG-CG1 3.75Å; I1375-I1378 HydrophobicContact CG2-CB 4.43Å; I1375-I1378 WeakPolarHBondContact O-CG2 3.46Å; I1375-I1378 PolarHBondContact O-N 3.24Å; I1378-H1380 VanDerWaalsContact C-N 3.3Å; I1378-H1380 PolarHBondContact O-N 3.17Å; I1378-L1381 HydrophobicContact CD1-CB 4.41Å; I1378-L1381 HydrophobicContact CD1-CD1 4.34Å; I1378-L1381 WeakPolarHBondContact O-CB 3.45Å; I1378-L1381 PolarHBondContact O-N 3.06Å; I1378-K1382 WeakPolarHBondContact O-CB 3.45Å; I1378-K1382 WeakPolarHBondContact O-CG 3.3Å; I1378-K1382 PolarHBondContact O-N 3.05Å |
| 1379 | D | 74 | Confident | 63.1 | Low | 113.2 Ų | 113.2 | 87.4 Ų | 87.4 | 61% | 0.605 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -67.6 | -31.2 | 175.4 | -64.6 | -46 | 0 | 0 | 0 | 111.9 | N1377 Y1383 | N1377-D1379 VanDerWaalsContact C-N 3.34Å; N1377-D1379 PolarHBondContact O-N 3.16Å; D1379-Y1383 WeakPolarHBondContact O-CB 3.32Å; D1379-Y1383 PolarHBondContact O-N 3.2Å |
| 1380 | H | 78.1 | Confident | 65.6 | Low | 70.2 Ų | 70.2 | 86.2 Ų | 86.2 | 33% | 0.325 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -72.7 | -39.3 | 174.4 | -159.2 | 85.5 | 0 | 0 | 0 | 111.5 | N1377 I1378 Y1383 I1384 D1411 | N1377-H1380 PolarHBondContact O-N 3.13Å; N1377-H1380 VanDerWaalsContact O-N 3.1Å; I1378-H1380 VanDerWaalsContact C-N 3.3Å; I1378-H1380 PolarHBondContact O-N 3.17Å; H1380-Y1383 WeakPolarHBondContact O-CB 3.31Å; H1380-Y1383 PolarHBondContact O-N 3.16Å; H1380-I1384 VanDerWaalsContact CD2-CD1 3.46Å; H1380-I1384 WeakPolarHBondContact CD2-CD1 3.26Å; H1380-I1384 WeakPolarHBondContact O-CD1 3.48Å; H1380-I1384 VanDerWaalsContact O-CG1 3.27Å; H1380-I1384 WeakPolarHBondContact O-CG1 3.38Å; H1380-I1384 PolarHBondContact O-N 3.12Å; H1380-D1411 IonicContact CD2-OD1 3.33Å; H1380-D1411 IonicContact CE1-OD1 2.96Å; H1380-D1411 IonicContact NE2-OD1 3.23Å; H1380-D1411 PolarHBondContact NE2-OD1 3.35Å |
| 1381 | L | 82.2 | Confident | 67.7 | Low | 9.2 Ų | 9.2 | 83 Ų | 83 | 5% | 0.048 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62 | -46.1 | 171.2 | -69.2 | 167.2 | 0 | 0 | 0 | 111.2 | L1351 I1354 N1377 I1378 Y1383 I1384 H1385 L1414 V1415 A1418 | L1351-L1381 HydrophobicContact CD2-CB 4.4Å; L1351-L1381 HydrophobicContact CD2-CD2 3.91Å; I1354-L1381 HydrophobicContact CG2-CD1 4.36Å; N1377-L1381 HydrophobicContact CB-CD1 4.44Å; N1377-L1381 WeakPolarHBondContact O-CG 3.28Å; N1377-L1381 PolarHBondContact O-N 3.27Å; N1377-L1381 VanDerWaalsContact O-N 3.12Å; I1378-L1381 HydrophobicContact CD1-CB 4.41Å; I1378-L1381 HydrophobicContact CD1-CD1 4.34Å; I1378-L1381 WeakPolarHBondContact O-CB 3.45Å; I1378-L1381 PolarHBondContact O-N 3.06Å; L1381-Y1383 VanDerWaalsContact C-N 3.27Å; L1381-Y1383 PolarHBondContact O-N 3.02Å; L1381-I1384 PolarHBondContact O-N 3.08Å; L1381-I1384 VanDerWaalsContact O-N 3.1Å; L1381-H1385 WeakPolarHBondContact O-CB 3.47Å; L1381-H1385 PolarHBondContact O-N 3.24Å; L1381-L1414 HydrophobicContact CD2-CD2 3.74Å; L1381-L1414 HydrophobicContact CG-CD2 4.08Å; L1381-V1415 HydrophobicContact CD2-CG2 3.96Å; L1381-A1418 HydrophobicContact CD1-CB 3.73Å; L1381-A1418 HydrophobicContact CD2-CB 3.9Å; L1381-A1418 HydrophobicContact CG-CB 4.45Å |
| 1382 | K | 85 | Confident | 69.9 | Low | 49 Ų | 49 | 75.2 Ų | 75.2 | 21% | 0.213 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.6 | -35.9 | 172.9 | -75.1 | -175.2 | 179.6 | -169.3 | 0 | 112.8 | E1355 D1359 I1378 K1386 | E1355-K1382 VanDerWaalsContact CD-CG 3.46Å; E1355-K1382 HydrophobicContact CG-CD 4.43Å; E1355-K1382 HydrophobicContact CG-CG 3.69Å; E1355-K1382 WeakPolarHBondContact OE1-CA 3.28Å; D1359-K1382 IonicContact OD1-NZ 3.22Å; D1359-K1382 PolarHBondContact OD1-NZ 3Å; D1359-K1382 IonicContact OD2-NZ 3.01Å; D1359-K1382 PolarHBondContact OD2-NZ 3.1Å; I1378-K1382 WeakPolarHBondContact O-CB 3.45Å; I1378-K1382 WeakPolarHBondContact O-CG 3.3Å; I1378-K1382 PolarHBondContact O-N 3.05Å; K1382-K1386 WeakPolarHBondContact O-CB 3.35Å; K1382-K1386 VanDerWaalsContact O-CG 3.27Å; K1382-K1386 WeakPolarHBondContact O-CG 3.24Å; K1382-K1386 PolarHBondContact O-N 2.96Å; K1382-K1386 VanDerWaalsContact O-N 3.11Å |
| 1383 | Y | 84 | Confident | 71.6 | Confident | 149 Ų | 149 | 73.9 Ų | 73.9 | 58% | 0.584 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.4 | -44.2 | 172.6 | 175.8 | -95.4 | 0 | 0 | 0 | 112.3 | D1379 H1380 L1381 K1386 S1387 | D1379-Y1383 WeakPolarHBondContact O-CB 3.32Å; D1379-Y1383 PolarHBondContact O-N 3.2Å; H1380-Y1383 WeakPolarHBondContact O-CB 3.31Å; H1380-Y1383 PolarHBondContact O-N 3.16Å; L1381-Y1383 VanDerWaalsContact C-N 3.27Å; L1381-Y1383 PolarHBondContact O-N 3.02Å; Y1383-K1386 PolarHBondContact O-N 3.25Å; Y1383-S1387 VanDerWaalsContact O-CB 3.31Å; Y1383-S1387 WeakPolarHBondContact O-CB 3.31Å; Y1383-S1387 PolarHBondContact O-N 3.18Å |
| 1384 | I | 83.9 | Confident | 72.8 | Confident | 4.2 Ų | 4.2 | 70.3 Ų | 70.3 | 2% | 0.022 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.4 | -50.3 | 178 | -66.8 | 163.4 | 0 | 0 | 0 | 110.8 | L1351 H1380 L1381 K1386 S1387 I1388 D1411 L1414 V1415 | L1351-I1384 HydrophobicContact CD1-CG2 4.37Å; H1380-I1384 VanDerWaalsContact CD2-CD1 3.46Å; H1380-I1384 WeakPolarHBondContact CD2-CD1 3.26Å; H1380-I1384 WeakPolarHBondContact O-CD1 3.48Å; H1380-I1384 VanDerWaalsContact O-CG1 3.27Å; H1380-I1384 WeakPolarHBondContact O-CG1 3.38Å; H1380-I1384 PolarHBondContact O-N 3.12Å; L1381-I1384 PolarHBondContact O-N 3.08Å; L1381-I1384 VanDerWaalsContact O-N 3.1Å; I1384-K1386 VanDerWaalsContact C-N 3.35Å; I1384-K1386 PolarHBondContact O-N 2.99Å; I1384-S1387 WeakPolarHBondContact O-CA 3.41Å; I1384-S1387 VanDerWaalsContact O-CB 3.3Å; I1384-S1387 WeakPolarHBondContact O-CB 3.34Å; I1384-S1387 PolarHBondContact O-N 3.16Å; I1384-S1387 VanDerWaalsContact O-N 3.13Å; I1384-I1388 HydrophobicContact CG2-CD1 3.84Å; I1384-I1388 HydrophobicContact CG2-CG1 4.42Å; I1384-I1388 WeakPolarHBondContact O-CG1 3.43Å; I1384-I1388 PolarHBondContact O-N 2.82Å; I1384-D1411 HydrophobicContact CD1-CB 3.67Å; I1384-D1411 HydrophobicContact CG1-CB 3.91Å; I1384-L1414 HydrophobicContact CD1-CD2 4.2Å; I1384-V1415 HydrophobicContact CB-CG2 4.48Å; I1384-V1415 HydrophobicContact CD1-CG2 4.12Å; I1384-V1415 HydrophobicContact CG2-CG2 3.8Å |
| 1385 | H | 88.6 | Confident | 73.3 | Confident | 18.6 Ų | 18.6 | 63.9 Ų | 63.9 | 9% | 0.086 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.2 | -51.7 | 176.1 | 173.2 | -149.4 | 0 | 0 | 0 | 111 | L1351 Q1352 E1355 L1381 S1387 I1388 T1389 | L1351-H1385 HydrophobicContact CB-CB 4.05Å; L1351-H1385 HydrophobicContact CD1-CB 3.98Å; Q1352-H1385 PolarHBondContact OE1-CE1 3.19Å; E1355-H1385 WeakPolarHBondContact OE1-CB 3.38Å; E1355-H1385 IonicContact OE1-CG 3.06Å; E1355-H1385 IonicContact OE1-ND1 3.43Å; E1355-H1385 PolarHBondContact OE1-ND1 3.03Å; E1355-H1385 VanDerWaalsContact OE1-ND1 3.1Å; E1355-H1385 IonicContact OE2-CE1 2.67Å; E1355-H1385 IonicContact OE2-CG 3.36Å; E1355-H1385 IonicContact OE2-ND1 3.41Å; E1355-H1385 PolarHBondContact OE2-ND1 3.23Å; L1381-H1385 WeakPolarHBondContact O-CB 3.47Å; L1381-H1385 PolarHBondContact O-N 3.24Å; H1385-S1387 VanDerWaalsContact C-N 3.25Å; H1385-S1387 PolarHBondContact O-N 3.29Å; H1385-I1388 PolarHBondContact O-N 3.1Å; H1385-I1388 VanDerWaalsContact O-N 3.1Å; H1385-T1389 PolarHBondContact CD2-OG1 3.21Å; H1385-T1389 PolarHBondContact NE2-OG1 3.19Å; H1385-T1389 VanDerWaalsContact NE2-OG1 3.1Å; H1385-T1389 WeakPolarHBondContact O-CB 3.43Å; H1385-T1389 PolarHBondContact O-N 3.3Å; H1385-T1389 PolarHBondContact O-OG1 3.21Å |
| 1386 | K | 86 | Confident | 73.2 | Confident | 158.4 Ų | 158.4 | 67.5 Ų | 67.5 | 69% | 0.689 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.4 | -30.4 | 177.5 | -153.4 | 171.1 | -171.1 | 167.8 | 0 | 113.2 | K1382 Y1383 I1384 K1390 | K1382-K1386 WeakPolarHBondContact O-CB 3.35Å; K1382-K1386 VanDerWaalsContact O-CG 3.27Å; K1382-K1386 WeakPolarHBondContact O-CG 3.24Å; K1382-K1386 PolarHBondContact O-N 2.96Å; K1382-K1386 VanDerWaalsContact O-N 3.11Å; Y1383-K1386 PolarHBondContact O-N 3.25Å; I1384-K1386 VanDerWaalsContact C-N 3.35Å; I1384-K1386 PolarHBondContact O-N 2.99Å; K1386-K1390 VanDerWaalsContact O-CB 3.24Å; K1386-K1390 WeakPolarHBondContact O-CB 3.39Å; K1386-K1390 PolarHBondContact O-N 3.15Å; K1386-K1390 VanDerWaalsContact O-N 3.14Å |
| 1387 | S | 82.5 | Confident | 73 | Confident | 42.6 Ų | 42.6 | 67.6 Ų | 67.6 | 30% | 0.298 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -71.1 | -45.2 | 173.7 | -171.2 | 0 | 0 | 0 | 0 | 112.2 | Y1383 I1384 H1385 K1390 Q1391 | Y1383-S1387 VanDerWaalsContact O-CB 3.31Å; Y1383-S1387 WeakPolarHBondContact O-CB 3.31Å; Y1383-S1387 PolarHBondContact O-N 3.18Å; I1384-S1387 WeakPolarHBondContact O-CA 3.41Å; I1384-S1387 VanDerWaalsContact O-CB 3.3Å; I1384-S1387 WeakPolarHBondContact O-CB 3.34Å; I1384-S1387 PolarHBondContact O-N 3.16Å; I1384-S1387 VanDerWaalsContact O-N 3.13Å; H1385-S1387 VanDerWaalsContact C-N 3.25Å; H1385-S1387 PolarHBondContact O-N 3.29Å; S1387-K1390 PolarHBondContact O-N 3.19Å; S1387-Q1391 WeakPolarHBondContact O-CG 3.4Å; S1387-Q1391 PolarHBondContact O-N 3.13Å; S1387-Q1391 VanDerWaalsContact O-N 3.16Å |
| 1388 | I | 83.4 | Confident | 71.5 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.4 | -51.2 | 177 | -66.5 | 170.8 | 0 | 0 | 0 | 110.4 | L1339 A1344 I1347 A1348 L1351 I1384 H1385 K1390 Q1391 L1392 | L1339-I1388 HydrophobicContact CD1-CD1 4.39Å; A1344-I1388 HydrophobicContact CB-CG2 4Å; A1344-I1388 WeakPolarHBondContact O-CG2 3.37Å; I1347-I1388 HydrophobicContact CG2-CD1 3.83Å; A1348-I1388 HydrophobicContact CB-CG2 4.21Å; L1351-I1388 HydrophobicContact CD1-CD1 4.48Å; I1384-I1388 HydrophobicContact CG2-CD1 3.84Å; I1384-I1388 HydrophobicContact CG2-CG1 4.42Å; I1384-I1388 WeakPolarHBondContact O-CG1 3.43Å; I1384-I1388 PolarHBondContact O-N 2.82Å; H1385-I1388 PolarHBondContact O-N 3.1Å; H1385-I1388 VanDerWaalsContact O-N 3.1Å; I1388-K1390 VanDerWaalsContact C-N 3.28Å; I1388-K1390 PolarHBondContact O-N 3.19Å; I1388-Q1391 CarbonylContact O-C 3.56Å; I1388-Q1391 WeakPolarHBondContact O-CA 3.34Å; I1388-Q1391 WeakPolarHBondContact O-CB 3.38Å; I1388-Q1391 PolarHBondContact O-N 3.1Å; I1388-Q1391 VanDerWaalsContact O-N 3.08Å; I1388-L1392 HydrophobicContact CG2-CD1 4.06Å; I1388-L1392 HydrophobicContact CG2-CG 4.44Å; I1388-L1392 WeakPolarHBondContact O-CG 3.35Å; I1388-L1392 PolarHBondContact O-N 3.16Å |
| 1389 | T | 82.4 | Confident | 69.5 | Low | 57.8 Ų | 57.8 | 73.4 Ų | 73.4 | 36% | 0.355 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.6 | -31.4 | -179.7 | -60 | 0 | 0 | 0 | 0 | 112.2 | H1385 L1392 S1393 | H1385-T1389 PolarHBondContact CD2-OG1 3.21Å; H1385-T1389 PolarHBondContact NE2-OG1 3.19Å; H1385-T1389 VanDerWaalsContact NE2-OG1 3.1Å; H1385-T1389 WeakPolarHBondContact O-CB 3.43Å; H1385-T1389 PolarHBondContact O-N 3.3Å; H1385-T1389 PolarHBondContact O-OG1 3.21Å; T1389-L1392 PolarHBondContact O-N 3.04Å; T1389-S1393 WeakPolarHBondContact O-CB 3.3Å; T1389-S1393 PolarHBondContact O-N 3.32Å; T1389-S1393 VanDerWaalsContact O-N 3.14Å; T1389-S1393 PolarHBondContact O-OG 3.16Å |
| 1390 | K | 80.3 | Confident | 67.5 | Low | 146 Ų | 146 | 76.8 Ų | 76.8 | 64% | 0.635 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.7 | -43.3 | 169.4 | -174.3 | 177.1 | -179.6 | -177.7 | 0 | 112.2 | K1386 S1387 I1388 L1392 S1393 T1394 | K1386-K1390 VanDerWaalsContact O-CB 3.24Å; K1386-K1390 WeakPolarHBondContact O-CB 3.39Å; K1386-K1390 PolarHBondContact O-N 3.15Å; K1386-K1390 VanDerWaalsContact O-N 3.14Å; S1387-K1390 PolarHBondContact O-N 3.19Å; I1388-K1390 VanDerWaalsContact C-N 3.28Å; I1388-K1390 PolarHBondContact O-N 3.19Å; K1390-L1392 VanDerWaalsContact C-N 3.31Å; K1390-L1392 PolarHBondContact O-N 2.97Å; K1390-S1393 WeakPolarHBondContact CA-OG 3.37Å; K1390-S1393 PolarHBondContact O-N 2.97Å; K1390-S1393 VanDerWaalsContact O-N 3.14Å; K1390-S1393 PolarHBondContact O-OG 3.08Å; K1390-S1393 VanDerWaalsContact O-OG 3.11Å; K1390-T1394 HydrophobicContact CG-CG2 4.17Å; K1390-T1394 VanDerWaalsContact O-CG2 3.3Å; K1390-T1394 WeakPolarHBondContact O-CG2 3.37Å; K1390-T1394 PolarHBondContact O-N 3.02Å; K1390-T1394 PolarHBondContact O-OG1 3.12Å |
| 1391 | Q | 74.9 | Confident | 65.7 | Low | 55 Ų | 55 | 77.7 Ų | 77.7 | 26% | 0.257 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 176.4 | -71.4 | -178.5 | 71.3 | 0 | 0 | 112 | S1387 I1388 S1393 T1394 I1405 V1406 | S1387-Q1391 WeakPolarHBondContact O-CG 3.4Å; S1387-Q1391 PolarHBondContact O-N 3.13Å; S1387-Q1391 VanDerWaalsContact O-N 3.16Å; I1388-Q1391 CarbonylContact O-C 3.56Å; I1388-Q1391 WeakPolarHBondContact O-CA 3.34Å; I1388-Q1391 WeakPolarHBondContact O-CB 3.38Å; I1388-Q1391 PolarHBondContact O-N 3.1Å; I1388-Q1391 VanDerWaalsContact O-N 3.08Å; Q1391-S1393 VanDerWaalsContact C-N 3.32Å; Q1391-S1393 PolarHBondContact O-N 3.36Å; Q1391-T1394 PolarHBondContact O-N 3.01Å; Q1391-T1394 PolarHBondContact O-OG1 3.1Å; Q1391-I1405 HydrophobicContact CB-CD1 3.91Å; Q1391-I1405 HydrophobicContact CB-CG1 4.01Å; Q1391-I1405 HydrophobicContact CB-CG2 4.11Å; Q1391-V1406 PolarHBondContact NE2-O 3.27Å; Q1391-V1406 PolarHBondContact OE1-O 3.12Å |
| 1392 | L | 74.3 | Confident | 63.9 | Low | 21 Ų | 21 | 83.9 Ų | 83.9 | 11% | 0.11 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 173.4 | -74.2 | 169.4 | 0 | 0 | 0 | 112 | R1341 A1344 I1345 A1348 I1388 T1389 K1390 T1394 S1395 I1405 | R1341-L1392 HydrophobicContact CG-CD2 3.93Å; R1341-L1392 PolarHBondContact NH1-O 3.27Å; R1341-L1392 PolarHBondContact NH2-O 3.15Å; A1344-L1392 HydrophobicContact CB-CD2 4.19Å; A1344-L1392 HydrophobicContact CB-CG 4.46Å; I1345-L1392 HydrophobicContact CD1-CD2 4.37Å; I1345-L1392 HydrophobicContact CG1-CD1 3.96Å; I1345-L1392 HydrophobicContact CG1-CD2 3.72Å; I1345-L1392 HydrophobicContact CG1-CG 4.47Å; A1348-L1392 HydrophobicContact CB-CD1 4.3Å; I1388-L1392 HydrophobicContact CG2-CD1 4.06Å; I1388-L1392 HydrophobicContact CG2-CG 4.44Å; I1388-L1392 WeakPolarHBondContact O-CG 3.35Å; I1388-L1392 PolarHBondContact O-N 3.16Å; T1389-L1392 PolarHBondContact O-N 3.04Å; K1390-L1392 VanDerWaalsContact C-N 3.31Å; K1390-L1392 PolarHBondContact O-N 2.97Å; L1392-T1394 VanDerWaalsContact C-N 3.34Å; L1392-T1394 PolarHBondContact O-N 3.13Å; L1392-T1394 VanDerWaalsContact O-N 3.11Å; L1392-S1395 PolarHBondContact O-N 3.25Å; L1392-S1395 PolarHBondContact O-OG 3.16Å; L1392-I1405 HydrophobicContact CB-CD1 4.42Å; L1392-I1405 HydrophobicContact CD2-CD1 3.63Å; L1392-I1405 VanDerWaalsContact CD2-CD1 3.46Å; L1392-I1405 HydrophobicContact CD2-CG1 4.2Å; L1392-I1405 HydrophobicContact CG-CD1 3.83Å |
| 1393 | S | 70.5 | Confident | 62.4 | Low | 75.2 Ų | 75.2 | 86.2 Ų | 86.2 | 53% | 0.526 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70 | -25.1 | -176.8 | 58.5 | 0 | 0 | 0 | 0 | 114.6 | T1389 K1390 Q1391 S1395 | T1389-S1393 WeakPolarHBondContact O-CB 3.3Å; T1389-S1393 PolarHBondContact O-N 3.32Å; T1389-S1393 VanDerWaalsContact O-N 3.14Å; T1389-S1393 PolarHBondContact O-OG 3.16Å; K1390-S1393 WeakPolarHBondContact CA-OG 3.37Å; K1390-S1393 PolarHBondContact O-N 2.97Å; K1390-S1393 VanDerWaalsContact O-N 3.14Å; K1390-S1393 PolarHBondContact O-OG 3.08Å; K1390-S1393 VanDerWaalsContact O-OG 3.11Å; Q1391-S1393 VanDerWaalsContact C-N 3.32Å; Q1391-S1393 PolarHBondContact O-N 3.36Å; S1393-S1395 VanDerWaalsContact C-N 3.27Å; S1393-S1395 PolarHBondContact O-N 3.16Å |
| 1394 | T | 58.4 | Low | 61.4 | Low | 90 Ų | 90 | 83.4 Ų | 83.4 | 55% | 0.552 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 22.4 | 178.7 | 51.7 | 0 | 0 | 0 | 0 | 114.5 | K1390 Q1391 L1392 | K1390-T1394 HydrophobicContact CG-CG2 4.17Å; K1390-T1394 VanDerWaalsContact O-CG2 3.3Å; K1390-T1394 WeakPolarHBondContact O-CG2 3.37Å; K1390-T1394 PolarHBondContact O-N 3.02Å; K1390-T1394 PolarHBondContact O-OG1 3.12Å; Q1391-T1394 PolarHBondContact O-N 3.01Å; Q1391-T1394 PolarHBondContact O-OG1 3.1Å; L1392-T1394 VanDerWaalsContact C-N 3.34Å; L1392-T1394 PolarHBondContact O-N 3.13Å; L1392-T1394 VanDerWaalsContact O-N 3.11Å |
| 1395 | S | 45.8 | Very low | 60.8 | Low | 11.8 Ų | 11.8 | 83.4 Ų | 83.4 | 8% | 0.083 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.9 | 4.3 | -168.5 | 72.4 | 0 | 0 | 0 | 0 | 116.8 | R1341 L1392 S1393 T1397 D1398 | R1341-S1395 VanDerWaalsContact CZ-O 3.31Å; R1341-S1395 PolarHBondContact NH1-O 3.01Å; R1341-S1395 PolarHBondContact NH1-OG 3.07Å; R1341-S1395 PolarHBondContact NH2-O 3.17Å; R1341-S1395 PolarHBondContact NH2-OG 3.22Å; R1341-S1395 VanDerWaalsContact NH2-OG 3.14Å; L1392-S1395 PolarHBondContact O-N 3.25Å; L1392-S1395 PolarHBondContact O-OG 3.16Å; S1393-S1395 VanDerWaalsContact C-N 3.27Å; S1393-S1395 PolarHBondContact O-N 3.16Å; S1395-T1397 PolarHBondContact O-N 3.21Å; S1395-T1397 VanDerWaalsContact O-N 3.1Å; S1395-D1398 PolarHBondContact O-N 2.99Å |
| 1396 | E | 42.1 | Very low | 60 | Low | 167.4 Ų | 167.4 | 85.2 Ų | 85.2 | 78% | 0.782 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -79.5 | -12.3 | -174.6 | -63 | -167.6 | 135.9 | 0 | 0 | 115.4 | ||
| 1397 | T | 40 | Very low | 59.5 | Low | 104 Ų | 104 | 78.3 Ų | 78.3 | 64% | 0.638 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -101.1 | -13 | -174.5 | 52.3 | 0 | 0 | 0 | 0 | 115.5 | S1395 C1399 K1635 | S1395-T1397 PolarHBondContact O-N 3.21Å; S1395-T1397 VanDerWaalsContact O-N 3.1Å; T1397-C1399 PolarHBondContact O-N 2.99Å; T1397-K1635 VanDerWaalsContact CB-CE 3.5Å; T1397-K1635 WeakPolarHBondContact OG1-CE 3.45Å |
| 1398 | D | 32.8 | Very low | 59.3 | Low | 80.8 Ų | 80.8 | 81.3 Ų | 81.3 | 43% | 0.432 | 43% | 0.434 | S | S | . | . | trans | -109.1 | 110.5 | -172.9 | -66.6 | -31.3 | 0 | 0 | 0 | 110.7 | S1395 F1400 V1401 K1403 E1634 K1635 | S1395-D1398 PolarHBondContact O-N 2.99Å; D1398-F1400 VanDerWaalsContact C-N 3.26Å; D1398-F1400 PolarHBondContact O-N 2.95Å; D1398-V1401 HydrophobicContact CB-CG2 4.48Å; D1398-K1403 WeakPolarHBondContact OD2-CE 3.39Å; D1398-K1403 IonicContact OD2-NZ 3.04Å; D1398-K1403 PolarHBondContact OD2-NZ 3.25Å; D1398-E1634 HydrophobicContact CB-CB 3.64Å; D1398-E1634 HydrophobicContact CB-CG 4.36Å; D1398-E1634 WeakPolarHBondContact OD1-CB 3.44Å; D1398-K1635 WeakPolarHBondContact OD1-CG 3.37Å; D1398-K1635 PolarHBondContact OD1-N 3.04Å | ||
| 1399 | C | 31.1 | Very low | 58.8 | Low | 118.6 Ų | 118.6 | 82.6 Ų | 82.6 | 80% | 0.801 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -74.3 | 32 | -172.2 | -51.5 | 0 | 0 | 0 | 0 | 115.1 | T1397 | T1397-C1399 PolarHBondContact O-N 2.99Š|
| 1400 | F | 31.6 | Very low | 58.6 | Low | 183.2 Ų | 183.2 | 82.7 Ų | 82.7 | 80% | 0.804 | 45% | 0.446 | S | S | * | . | trans | -137.3 | 73.1 | -175.6 | -72.4 | -81.1 | 0 | 0 | 0 | 113.6 | D1398 D1402 | D1398-F1400 VanDerWaalsContact C-N 3.26Å; D1398-F1400 PolarHBondContact O-N 2.95Å; F1400-D1402 VanDerWaalsContact C-N 3.27Å; F1400-D1402 PolarHBondContact O-N 3.26Å | ||
| 1401 | V | 39.7 | Very low | 58.7 | Low | 89.4 Ų | 89.4 | 76.6 Ų | 76.6 | 54% | 0.542 | 42% | 0.421 | S | S | . | . | trans | -94.8 | 82.8 | 179.8 | -170.7 | 0 | 0 | 0 | 0 | 110.6 | D1398 K1403 | D1398-V1401 HydrophobicContact CB-CG2 4.48Å; V1401-K1403 HydrophobicContact CB-CD 4.46Å; V1401-K1403 HydrophobicContact CB-CG 4.14Å; V1401-K1403 HydrophobicContact CG1-CD 4.39Å; V1401-K1403 HydrophobicContact CG1-CG 3.73Å; V1401-K1403 PolarHBondContact O-N 3.29Å | ||
| 1402 | D | 45.5 | Very low | 59.1 | Low | 140.2 Ų | 140.2 | 74.5 Ų | 74.5 | 75% | 0.75 | 41% | 0.411 | S | S | * | . | trans | -82.5 | 68.3 | 171.3 | -83.8 | -45.4 | 0 | 0 | 0 | 110.1 | F1400 N1404 | F1400-D1402 VanDerWaalsContact C-N 3.27Å; F1400-D1402 PolarHBondContact O-N 3.26Å; D1402-N1404 VanDerWaalsContact C-N 3.31Å; D1402-N1404 PolarHBondContact O-N 3.19Å | ||
| 1403 | K | 52.2 | Low | 59.3 | Low | 97.8 Ų | 97.8 | 81.8 Ų | 81.8 | 43% | 0.425 | 44% | 0.437 | S | S | . | . | trans | -73.1 | 76.5 | 174.8 | -78.3 | -177.3 | 177.8 | 173.2 | 0 | 110.8 | D1398 V1401 I1405 E1634 | D1398-K1403 WeakPolarHBondContact OD2-CE 3.39Å; D1398-K1403 IonicContact OD2-NZ 3.04Å; D1398-K1403 PolarHBondContact OD2-NZ 3.25Å; V1401-K1403 HydrophobicContact CB-CD 4.46Å; V1401-K1403 HydrophobicContact CB-CG 4.14Å; V1401-K1403 HydrophobicContact CG1-CD 4.39Å; V1401-K1403 HydrophobicContact CG1-CG 3.73Å; V1401-K1403 PolarHBondContact O-N 3.29Å; K1403-I1405 PolarHBondContact O-N 3.27Å; K1403-I1405 VanDerWaalsContact O-N 3.12Å; K1403-E1634 WeakPolarHBondContact CE-OE1 3.5Å; K1403-E1634 IonicContact NZ-OE1 3.33Å; K1403-E1634 PolarHBondContact NZ-OE1 3.03Å; K1403-E1634 IonicContact NZ-OE2 3.52Å; K1403-E1634 PolarHBondContact NZ-OE2 3.21Å | ||
| 1404 | N | 63.8 | Low | 59.9 | Low | 88.8 Ų | 88.8 | 80.5 Ų | 80.5 | 48% | 0.475 | 42% | 0.424 | S | S | . | . | trans | -61.5 | 121.1 | 173.5 | -82.9 | -9.5 | 0 | 0 | 0 | 111.3 | V1338 L1339 D1402 R1941 | V1338-N1404 HydrophobicContact CG1-CB 3.57Å; V1338-N1404 VanDerWaalsContact CG1-CB 3.45Å; V1338-N1404 VanDerWaalsContact CG1-CG 3.42Å; L1339-N1404 CarbonylContact O-C 3.48Å; L1339-N1404 WeakPolarHBondContact O-CA 3.33Å; D1402-N1404 VanDerWaalsContact C-N 3.31Å; D1402-N1404 PolarHBondContact O-N 3.19Å; N1404-R1941 PolarHBondContact O-NH2 3.45Å | ||
| 1405 | I | 71.6 | Confident | 61.1 | Low | 5.6 Ų | 5.6 | 76.2 Ų | 76.2 | 3% | 0.029 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 140.2 | 179 | -71.7 | -167.7 | 0 | 0 | 0 | 109.2 | V1338 L1339 A1344 Q1391 L1392 K1403 | V1338-I1405 CarbonylContact C-O 3.4Å; V1338-I1405 WeakPolarHBondContact CA-O 3.33Å; L1339-I1405 HydrophobicContact CB-CB 4.32Å; L1339-I1405 HydrophobicContact CB-CG2 4.45Å; L1339-I1405 HydrophobicContact CD1-CG2 4.16Å; L1339-I1405 PolarHBondContact N-O 3Å; L1339-I1405 PolarHBondContact O-N 3.02Å; A1344-I1405 HydrophobicContact CB-CB 4.12Å; A1344-I1405 HydrophobicContact CB-CD1 3.67Å; A1344-I1405 HydrophobicContact CB-CG1 4.24Å; A1344-I1405 HydrophobicContact CB-CG2 4.13Å; Q1391-I1405 HydrophobicContact CB-CD1 3.91Å; Q1391-I1405 HydrophobicContact CB-CG1 4.01Å; Q1391-I1405 HydrophobicContact CB-CG2 4.11Å; L1392-I1405 HydrophobicContact CB-CD1 4.42Å; L1392-I1405 HydrophobicContact CD2-CD1 3.63Å; L1392-I1405 VanDerWaalsContact CD2-CD1 3.46Å; L1392-I1405 HydrophobicContact CD2-CG1 4.2Å; L1392-I1405 HydrophobicContact CG-CD1 3.83Å; K1403-I1405 PolarHBondContact O-N 3.27Å; K1403-I1405 VanDerWaalsContact O-N 3.12Å |
| 1406 | V | 72 | Confident | 62.9 | Low | 56.6 Ų | 56.6 | 78.5 Ų | 78.5 | 34% | 0.343 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.1 | -172.7 | -174.7 | 0 | 0 | 0 | 0 | 110.6 | R1336 Q1391 R1941 | R1336-V1406 HydrophobicContact CB-CG1 4.18Å; R1336-V1406 HydrophobicContact CG-CG1 4.25Å; Q1391-V1406 PolarHBondContact NE2-O 3.27Å; Q1391-V1406 PolarHBondContact OE1-O 3.12Å; V1406-R1941 VanDerWaalsContact CG2-NH2 3.33Å |
| 1407 | C | 74.8 | Confident | 64.7 | Low | 11.6 Ų | 11.6 | 76 Ų | 76 | 8% | 0.078 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 164.6 | 176.3 | -64.5 | 0 | 0 | 0 | 0 | 110.3 | R1336 C1337 I1412 | R1336-C1407 CarbonylContact C-O 3.57Å; R1336-C1407 WeakPolarHBondContact CA-O 3.41Å; C1337-C1407 PolarHBondContact N-O 3.08Å; C1337-C1407 PolarHBondContact O-N 3.02Å; C1337-C1407 VanDerWaalsContact O-N 3.13Å; C1407-I1412 HydrophobicContact CB-CD1 3.74Å; C1407-I1412 HydrophobicContact CB-CG1 3.85Å |
| 1408 | Q | 77.7 | Confident | 66.6 | Low | 106.6 Ų | 106.6 | 71.9 Ų | 71.9 | 50% | 0.498 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 144.4 | 169.1 | -54.1 | -171.9 | 51.3 | 0 | 0 | 109.8 | N1335 S1410 D1411 I1412 | N1335-Q1408 WeakPolarHBondContact O-CA 3.29Å; Q1408-S1410 VanDerWaalsContact C-N 3.25Å; Q1408-S1410 WeakPolarHBondContact CB-OG 3.4Å; Q1408-S1410 PolarHBondContact O-N 3.15Å; Q1408-D1411 HydrophobicContact CB-CB 4.34Å; Q1408-D1411 VanDerWaalsContact CB-OD2 3.25Å; Q1408-D1411 WeakPolarHBondContact CB-OD2 3.38Å; Q1408-D1411 VanDerWaalsContact CG-OD2 3.31Å; Q1408-D1411 WeakPolarHBondContact CG-OD2 3.36Å; Q1408-D1411 PolarHBondContact NE2-OD2 3.11Å; Q1408-D1411 WeakPolarHBondContact O-CB 3.41Å; Q1408-D1411 PolarHBondContact O-N 3.08Å; Q1408-D1411 VanDerWaalsContact O-N 3.12Å; Q1408-I1412 PolarHBondContact O-N 3.14Å; Q1408-I1412 VanDerWaalsContact O-N 3.09Å |
| 1409 | S | 74.3 | Confident | 69 | Low | 26.2 Ų | 26.2 | 68 Ų | 68 | 18% | 0.183 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.9 | -29 | 176.4 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | E1331 N1335 I1412 R1413 | E1331-S1409 WeakPolarHBondContact OE1-CB 3.34Å; E1331-S1409 PolarHBondContact OE1-OG 3.38Å; E1331-S1409 VanDerWaalsContact OE1-OG 3.09Å; N1335-S1409 WeakPolarHBondContact CB-OG 3.22Å; N1335-S1409 PolarHBondContact O-N 3.2Å; N1335-S1409 PolarHBondContact O-OG 3.07Å; S1409-I1412 PolarHBondContact O-N 2.99Å; S1409-R1413 WeakPolarHBondContact O-CG 3.37Å; S1409-R1413 PolarHBondContact O-N 3.17Å; S1409-R1413 VanDerWaalsContact O-N 3.1Å |
| 1410 | S | 77.5 | Confident | 71.2 | Confident | 61.2 Ų | 61.2 | 64.5 Ų | 64.5 | 43% | 0.428 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 169.8 | 48.7 | 0 | 0 | 0 | 0 | 112.8 | Q1408 R1413 L1414 | Q1408-S1410 VanDerWaalsContact C-N 3.25Å; Q1408-S1410 WeakPolarHBondContact CB-OG 3.4Å; Q1408-S1410 PolarHBondContact O-N 3.15Å; S1410-R1413 PolarHBondContact O-N 3.05Å; S1410-L1414 WeakPolarHBondContact O-CB 3.2Å; S1410-L1414 WeakPolarHBondContact O-CG 3.41Å; S1410-L1414 PolarHBondContact O-N 3.05Å; S1410-L1414 VanDerWaalsContact O-N 3.13Å |
| 1411 | D | 82.6 | Confident | 73.3 | Confident | 18.4 Ų | 18.4 | 60 Ų | 60 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.9 | -42.5 | -177.7 | -63.8 | -23.4 | 0 | 0 | 0 | 110.5 | H1380 I1384 Q1408 R1413 L1414 V1415 | H1380-D1411 IonicContact CD2-OD1 3.33Å; H1380-D1411 IonicContact CE1-OD1 2.96Å; H1380-D1411 IonicContact NE2-OD1 3.23Å; H1380-D1411 PolarHBondContact NE2-OD1 3.35Å; I1384-D1411 HydrophobicContact CD1-CB 3.67Å; I1384-D1411 HydrophobicContact CG1-CB 3.91Å; Q1408-D1411 HydrophobicContact CB-CB 4.34Å; Q1408-D1411 VanDerWaalsContact CB-OD2 3.25Å; Q1408-D1411 WeakPolarHBondContact CB-OD2 3.38Å; Q1408-D1411 VanDerWaalsContact CG-OD2 3.31Å; Q1408-D1411 WeakPolarHBondContact CG-OD2 3.36Å; Q1408-D1411 PolarHBondContact NE2-OD2 3.11Å; Q1408-D1411 WeakPolarHBondContact O-CB 3.41Å; Q1408-D1411 PolarHBondContact O-N 3.08Å; Q1408-D1411 VanDerWaalsContact O-N 3.12Å; D1411-R1413 VanDerWaalsContact C-N 3.34Å; D1411-R1413 PolarHBondContact O-N 3.01Å; D1411-L1414 WeakPolarHBondContact O-CB 3.41Å; D1411-L1414 PolarHBondContact O-N 3.09Å; D1411-V1415 WeakPolarHBondContact O-CG2 3.33Å; D1411-V1415 PolarHBondContact O-N 3.2Å |
| 1412 | I | 82.1 | Confident | 75 | Confident | 9.8 Ų | 9.8 | 57 Ų | 57 | 5% | 0.05 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.9 | -40 | 177.2 | -62.8 | -57.9 | 0 | 0 | 0 | 112 | I1324 C1337 L1339 C1407 Q1408 S1409 L1414 V1415 E1416 | I1324-I1412 HydrophobicContact CG1-CG2 4.35Å; I1324-I1412 HydrophobicContact CG2-CG2 3.69Å; C1337-I1412 HydrophobicContact CB-CG1 4.11Å; L1339-I1412 HydrophobicContact CD1-CD1 4.12Å; L1339-I1412 HydrophobicContact CD2-CD1 3.95Å; L1339-I1412 HydrophobicContact CD2-CG1 4.38Å; L1339-I1412 HydrophobicContact CG-CD1 4.46Å; C1407-I1412 HydrophobicContact CB-CD1 3.74Å; C1407-I1412 HydrophobicContact CB-CG1 3.85Å; Q1408-I1412 PolarHBondContact O-N 3.14Å; Q1408-I1412 VanDerWaalsContact O-N 3.09Å; S1409-I1412 PolarHBondContact O-N 2.99Å; I1412-L1414 VanDerWaalsContact C-N 3.33Å; I1412-L1414 PolarHBondContact O-N 2.98Å; I1412-V1415 PolarHBondContact O-N 3.12Å; I1412-E1416 WeakPolarHBondContact O-CB 3.37Å; I1412-E1416 PolarHBondContact O-N 3.07Å |
| 1413 | R | 79.6 | Confident | 76.4 | Confident | 174.4 Ų | 174.4 | 52.6 Ų | 52.6 | 66% | 0.658 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -65.3 | -38.2 | 175 | -73.5 | -179.5 | 82.4 | -173.5 | -1 | 112.6 | S1409 S1410 D1411 V1415 E1416 E1417 | S1409-R1413 WeakPolarHBondContact O-CG 3.37Å; S1409-R1413 PolarHBondContact O-N 3.17Å; S1409-R1413 VanDerWaalsContact O-N 3.1Å; S1410-R1413 PolarHBondContact O-N 3.05Å; D1411-R1413 VanDerWaalsContact C-N 3.34Å; D1411-R1413 PolarHBondContact O-N 3.01Å; R1413-V1415 VanDerWaalsContact C-N 3.34Å; R1413-E1416 PolarHBondContact O-N 3.13Å; R1413-E1417 WeakPolarHBondContact O-CB 3.29Å; R1413-E1417 PolarHBondContact O-N 3.27Å |
| 1414 | L | 82.3 | Confident | 77.4 | Confident | 48.4 Ų | 48.4 | 52.2 Ų | 52.2 | 25% | 0.253 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 174.6 | -117.3 | 162.8 | 0 | 0 | 0 | 111.7 | N1377 L1381 I1384 S1410 D1411 I1412 A1418 | N1377-L1414 WeakPolarHBondContact ND2-CD2 3.46Å; L1381-L1414 HydrophobicContact CD2-CD2 3.74Å; L1381-L1414 HydrophobicContact CG-CD2 4.08Å; I1384-L1414 HydrophobicContact CD1-CD2 4.2Å; S1410-L1414 WeakPolarHBondContact O-CB 3.2Å; S1410-L1414 WeakPolarHBondContact O-CG 3.41Å; S1410-L1414 PolarHBondContact O-N 3.05Å; S1410-L1414 VanDerWaalsContact O-N 3.13Å; D1411-L1414 WeakPolarHBondContact O-CB 3.41Å; D1411-L1414 PolarHBondContact O-N 3.09Å; I1412-L1414 VanDerWaalsContact C-N 3.33Å; I1412-L1414 PolarHBondContact O-N 2.98Å; L1414-A1418 VanDerWaalsContact O-CB 3.3Å; L1414-A1418 WeakPolarHBondContact O-CB 3.36Å; L1414-A1418 PolarHBondContact O-N 3.12Å |
| 1415 | V | 84.1 | Confident | 77.7 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.4 | -44.9 | 173.1 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | I1324 I1347 L1351 L1381 I1384 D1411 I1412 R1413 E1417 A1418 L1419 | I1324-V1415 HydrophobicContact CD1-CB 4.42Å; I1324-V1415 HydrophobicContact CD1-CG1 3.91Å; I1347-V1415 HydrophobicContact CG2-CG1 3.99Å; L1351-V1415 HydrophobicContact CD1-CG1 4.18Å; L1351-V1415 HydrophobicContact CD1-CG2 4.06Å; L1351-V1415 HydrophobicContact CD2-CG1 4.05Å; L1351-V1415 HydrophobicContact CD2-CG2 4.2Å; L1351-V1415 HydrophobicContact CG-CG1 4.19Å; L1381-V1415 HydrophobicContact CD2-CG2 3.96Å; I1384-V1415 HydrophobicContact CB-CG2 4.48Å; I1384-V1415 HydrophobicContact CD1-CG2 4.12Å; I1384-V1415 HydrophobicContact CG2-CG2 3.8Å; D1411-V1415 WeakPolarHBondContact O-CG2 3.33Å; D1411-V1415 PolarHBondContact O-N 3.2Å; I1412-V1415 PolarHBondContact O-N 3.12Å; R1413-V1415 VanDerWaalsContact C-N 3.34Å; V1415-E1417 VanDerWaalsContact C-N 3.34Å; V1415-E1417 PolarHBondContact O-N 3.27Å; V1415-A1418 PolarHBondContact O-N 3.04Å; V1415-L1419 HydrophobicContact CG1-CD1 3.67Å; V1415-L1419 HydrophobicContact CG1-CG 4.1Å; V1415-L1419 WeakPolarHBondContact O-CB 3.22Å; V1415-L1419 VanDerWaalsContact O-CG 3.26Å; V1415-L1419 WeakPolarHBondContact O-CG 3.33Å; V1415-L1419 PolarHBondContact O-N 2.99Å |
| 1416 | E | 83.7 | Confident | 77.4 | Confident | 59.2 Ų | 59.2 | 52.6 Ų | 52.6 | 28% | 0.277 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60 | -44.5 | 177.9 | -167.7 | -169.4 | 177.8 | 0 | 0 | 111.8 | I1324 K1325 I1412 R1413 T1420 | I1324-E1416 HydrophobicContact CD1-CB 4.1Å; I1324-E1416 HydrophobicContact CD1-CG 4.39Å; I1324-E1416 HydrophobicContact CG2-CB 4.27Å; I1324-E1416 HydrophobicContact CG2-CG 4.25Å; K1325-E1416 WeakPolarHBondContact CE-OE1 3.31Å; K1325-E1416 IonicContact NZ-OE1 3.07Å; K1325-E1416 PolarHBondContact NZ-OE1 3.05Å; I1412-E1416 WeakPolarHBondContact O-CB 3.37Å; I1412-E1416 PolarHBondContact O-N 3.07Å; R1413-E1416 PolarHBondContact O-N 3.13Å; E1416-T1420 VanDerWaalsContact O-CB 3.26Å; E1416-T1420 WeakPolarHBondContact O-CB 3.36Å; E1416-T1420 PolarHBondContact O-N 2.98Å; E1416-T1420 PolarHBondContact O-OG1 3.29Å |
| 1417 | E | 80.5 | Confident | 76.9 | Confident | 114.8 Ų | 114.8 | 52.1 Ų | 52.1 | 54% | 0.536 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 176.8 | -174.6 | 174.8 | -173.8 | 0 | 0 | 111.6 | R1413 V1415 T1420 N1421 | R1413-E1417 WeakPolarHBondContact O-CB 3.29Å; R1413-E1417 PolarHBondContact O-N 3.27Å; V1415-E1417 VanDerWaalsContact C-N 3.34Å; V1415-E1417 PolarHBondContact O-N 3.27Å; E1417-T1420 PolarHBondContact O-N 3.12Å; E1417-N1421 WeakPolarHBondContact CG-ND2 3.46Å; E1417-N1421 WeakPolarHBondContact O-CB 3.36Å; E1417-N1421 VanDerWaalsContact O-CG 3.28Å; E1417-N1421 PolarHBondContact O-N 2.9Å; E1417-N1421 PolarHBondContact O-ND2 3.15Å |
| 1418 | A | 79.6 | Confident | 76 | Confident | 17.4 Ų | 17.4 | 59 Ų | 59 | 14% | 0.144 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.9 | -49.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1381 L1414 V1415 T1420 N1421 H1422 | L1381-A1418 HydrophobicContact CD1-CB 3.73Å; L1381-A1418 HydrophobicContact CD2-CB 3.9Å; L1381-A1418 HydrophobicContact CG-CB 4.45Å; L1414-A1418 VanDerWaalsContact O-CB 3.3Å; L1414-A1418 WeakPolarHBondContact O-CB 3.36Å; L1414-A1418 PolarHBondContact O-N 3.12Å; V1415-A1418 PolarHBondContact O-N 3.04Å; A1418-T1420 VanDerWaalsContact C-N 3.34Å; A1418-T1420 PolarHBondContact O-N 3.28Å; A1418-N1421 PolarHBondContact O-N 3.16Å; A1418-H1422 VanDerWaalsContact O-CB 3.32Å; A1418-H1422 WeakPolarHBondContact O-CB 3.36Å; A1418-H1422 PolarHBondContact O-N 3.06Å |
| 1419 | L | 82.1 | Confident | 74.8 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 177.1 | -69.7 | 172.7 | 0 | 0 | 0 | 111.3 | I1317 I1321 I1324 A1350 I1354 V1415 N1421 H1422 F1423 | I1317-L1419 HydrophobicContact CG1-CD2 4.49Å; I1317-L1419 HydrophobicContact CG2-CB 4.09Å; I1317-L1419 HydrophobicContact CG2-CD2 4.02Å; I1317-L1419 VanDerWaalsContact CG2-O 3.28Å; I1317-L1419 WeakPolarHBondContact CG2-O 3.37Å; I1321-L1419 HydrophobicContact CD1-CB 4.03Å; I1321-L1419 HydrophobicContact CG1-CB 3.56Å; I1321-L1419 HydrophobicContact CG1-CD1 4.25Å; I1324-L1419 HydrophobicContact CD1-CD1 3.94Å; A1350-L1419 HydrophobicContact CB-CD1 4.33Å; A1350-L1419 HydrophobicContact CB-CD2 3.67Å; I1354-L1419 HydrophobicContact CD1-CD2 3.83Å; I1354-L1419 HydrophobicContact CD1-CG 4.47Å; V1415-L1419 HydrophobicContact CG1-CD1 3.67Å; V1415-L1419 HydrophobicContact CG1-CG 4.1Å; V1415-L1419 WeakPolarHBondContact O-CB 3.22Å; V1415-L1419 VanDerWaalsContact O-CG 3.26Å; V1415-L1419 WeakPolarHBondContact O-CG 3.33Å; V1415-L1419 PolarHBondContact O-N 2.99Å; L1419-N1421 PolarHBondContact O-N 2.94Å; L1419-H1422 PolarHBondContact O-N 3.11Å; L1419-F1423 WeakPolarHBondContact O-CB 3.37Å; L1419-F1423 PolarHBondContact O-N 3.17Å |
| 1420 | T | 78.5 | Confident | 73.7 | Confident | 44.8 Ų | 44.8 | 56.9 Ų | 56.9 | 28% | 0.275 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | -179.8 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | E1416 E1417 A1418 H1422 F1423 N1424 | E1416-T1420 VanDerWaalsContact O-CB 3.26Å; E1416-T1420 WeakPolarHBondContact O-CB 3.36Å; E1416-T1420 PolarHBondContact O-N 2.98Å; E1416-T1420 PolarHBondContact O-OG1 3.29Å; E1417-T1420 PolarHBondContact O-N 3.12Å; A1418-T1420 VanDerWaalsContact C-N 3.34Å; A1418-T1420 PolarHBondContact O-N 3.28Å; T1420-H1422 VanDerWaalsContact C-N 3.31Å; T1420-H1422 PolarHBondContact O-N 3.14Å; T1420-F1423 PolarHBondContact O-N 3.14Å; T1420-N1424 WeakPolarHBondContact O-CB 3.42Å; T1420-N1424 VanDerWaalsContact O-CG 3.26Å; T1420-N1424 PolarHBondContact O-N 3.09Å; T1420-N1424 PolarHBondContact O-ND2 3.27Å; T1420-N1424 VanDerWaalsContact O-ND2 3.14Å |
| 1421 | N | 76.1 | Confident | 72.3 | Confident | 89 Ų | 89 | 59.3 Ų | 59.3 | 48% | 0.476 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 175.3 | -76.6 | -38.2 | 0 | 0 | 0 | 112 | E1417 A1418 L1419 N1424 K1425 | E1417-N1421 WeakPolarHBondContact CG-ND2 3.46Å; E1417-N1421 WeakPolarHBondContact O-CB 3.36Å; E1417-N1421 VanDerWaalsContact O-CG 3.28Å; E1417-N1421 PolarHBondContact O-N 2.9Å; E1417-N1421 PolarHBondContact O-ND2 3.15Å; A1418-N1421 PolarHBondContact O-N 3.16Å; L1419-N1421 PolarHBondContact O-N 2.94Å; N1421-N1424 PolarHBondContact O-N 3.09Å; N1421-K1425 PolarHBondContact O-N 2.99Å; N1421-K1425 VanDerWaalsContact O-N 3.1Å |
| 1422 | H | 75.1 | Confident | 70.3 | Confident | 27 Ų | 27 | 61.2 Ų | 61.2 | 13% | 0.125 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.8 | -38.6 | 178.4 | -148.5 | 48.5 | 0 | 0 | 0 | 112.7 | I1317 I1354 E1357 A1418 L1419 T1420 N1424 K1425 I1426 | I1317-H1422 HydrophobicContact CD1-CB 4.38Å; I1317-H1422 WeakPolarHBondContact CD1-CD2 3.48Å; I1354-H1422 HydrophobicContact CD1-CB 3.91Å; I1354-H1422 HydrophobicContact CG1-CB 4.3Å; I1354-H1422 WeakPolarHBondContact CG1-CD2 3.47Å; E1357-H1422 VanDerWaalsContact CD-NE2 3.35Å; E1357-H1422 IonicContact OE1-CE1 2.64Å; E1357-H1422 PolarHBondContact OE1-CE1 3.23Å; E1357-H1422 VanDerWaalsContact OE1-CE1 3.32Å; E1357-H1422 IonicContact OE1-NE2 3.33Å; E1357-H1422 IonicContact OE2-CD2 2.78Å; E1357-H1422 IonicContact OE2-CE1 3.37Å; E1357-H1422 PolarHBondContact OE2-CE1 3.28Å; E1357-H1422 IonicContact OE2-NE2 2.96Å; E1357-H1422 PolarHBondContact OE2-NE2 3.43Å; A1418-H1422 VanDerWaalsContact O-CB 3.32Å; A1418-H1422 WeakPolarHBondContact O-CB 3.36Å; A1418-H1422 PolarHBondContact O-N 3.06Å; L1419-H1422 PolarHBondContact O-N 3.11Å; T1420-H1422 VanDerWaalsContact C-N 3.31Å; T1420-H1422 PolarHBondContact O-N 3.14Å; H1422-N1424 VanDerWaalsContact C-N 3.34Å; H1422-N1424 PolarHBondContact O-N 3.26Å; H1422-K1425 WeakPolarHBondContact O-CB 3.44Å; H1422-K1425 PolarHBondContact O-N 3.03Å; H1422-I1426 WeakPolarHBondContact O-CG1 3.25Å; H1422-I1426 PolarHBondContact O-N 3.22Å; H1422-I1426 VanDerWaalsContact O-N 3.13Å |
| 1423 | F | 75.1 | Confident | 68.3 | Low | 47.6 Ų | 47.6 | 62.2 Ų | 62.2 | 21% | 0.209 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60 | -45.5 | 171.7 | -177 | -101.7 | 0 | 0 | 0 | 111.7 | G1314 I1317 N1318 I1321 L1419 T1420 K1425 I1426 N1427 | G1314-F1423 WeakPolarHBondContact O-CD2 3.33Å; G1314-F1423 WeakPolarHBondContact O-CE2 3.27Å; I1317-F1423 HydrophobicContact CG2-CB 3.87Å; I1317-F1423 HydrophobicContact CG2-CD2 4.47Å; N1318-F1423 HydrophobicContact CB-CD2 4.15Å; N1318-F1423 HydrophobicContact CB-CE2 3.85Å; N1318-F1423 HydrophobicContact CB-CZ 4.42Å; I1321-F1423 HydrophobicContact CD1-CB 4.08Å; I1321-F1423 HydrophobicContact CD1-CG 4.47Å; L1419-F1423 WeakPolarHBondContact O-CB 3.37Å; L1419-F1423 PolarHBondContact O-N 3.17Å; T1420-F1423 PolarHBondContact O-N 3.14Å; F1423-K1425 VanDerWaalsContact C-N 3.32Å; F1423-K1425 PolarHBondContact O-N 3.12Å; F1423-I1426 PolarHBondContact O-N 3.17Å; F1423-N1427 WeakPolarHBondContact CE1-ND2 3.33Å; F1423-N1427 WeakPolarHBondContact CZ-ND2 3.43Å; F1423-N1427 VanDerWaalsContact O-CB 3.26Å; F1423-N1427 WeakPolarHBondContact O-CB 3.34Å; F1423-N1427 PolarHBondContact O-N 3.11Å |
| 1424 | N | 71.5 | Confident | 66.3 | Low | 88.6 Ų | 88.6 | 58.9 Ų | 58.9 | 47% | 0.474 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 177.6 | -73.5 | -26.7 | 0 | 0 | 0 | 112.3 | T1420 N1421 H1422 N1427 Y1428 | T1420-N1424 WeakPolarHBondContact O-CB 3.42Å; T1420-N1424 VanDerWaalsContact O-CG 3.26Å; T1420-N1424 PolarHBondContact O-N 3.09Å; T1420-N1424 PolarHBondContact O-ND2 3.27Å; T1420-N1424 VanDerWaalsContact O-ND2 3.14Å; N1421-N1424 PolarHBondContact O-N 3.09Å; H1422-N1424 VanDerWaalsContact C-N 3.34Å; H1422-N1424 PolarHBondContact O-N 3.26Å; N1424-N1427 PolarHBondContact O-N 3.07Å; N1424-Y1428 WeakPolarHBondContact O-CB 3.36Å; N1424-Y1428 PolarHBondContact O-N 3.02Å |
| 1425 | K | 70.1 | Confident | 63.9 | Low | 89.2 Ų | 89.2 | 64.7 Ų | 64.7 | 39% | 0.388 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.7 | -50.1 | 173.5 | -179.2 | -168.4 | 176 | -166.9 | 0 | 111.6 | E1357 N1421 H1422 F1423 N1427 Y1428 C1429 Y1460 | E1357-K1425 IonicContact OE1-NZ 3.64Å; E1357-K1425 PolarHBondContact OE1-NZ 3.11Å; N1421-K1425 PolarHBondContact O-N 2.99Å; N1421-K1425 VanDerWaalsContact O-N 3.1Å; H1422-K1425 WeakPolarHBondContact O-CB 3.44Å; H1422-K1425 PolarHBondContact O-N 3.03Å; F1423-K1425 VanDerWaalsContact C-N 3.32Å; F1423-K1425 PolarHBondContact O-N 3.12Å; K1425-N1427 VanDerWaalsContact C-N 3.34Å; K1425-N1427 PolarHBondContact O-N 3.34Å; K1425-Y1428 WeakPolarHBondContact O-CB 3.48Å; K1425-Y1428 PolarHBondContact O-N 3.24Å; K1425-C1429 PolarHBondContact O-N 3.35Å; K1425-C1429 VanDerWaalsContact O-N 3.1Å; K1425-C1429 PolarHBondContact O-SG 3.01Å; K1425-C1429 VanDerWaalsContact O-SG 3.39Å; K1425-Y1460 VanDerWaalsContact NZ-CG 3.34Å |
| 1426 | I | 66.2 | Low | 61.3 | Low | 12.8 Ų | 12.8 | 71.9 Ų | 71.9 | 7% | 0.066 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62 | -45.2 | 178.8 | -69.3 | 166.9 | 0 | 0 | 0 | 111.2 | S1310 H1313 I1317 H1422 F1423 Y1428 C1429 L1430 | S1310-I1426 WeakPolarHBondContact O-CG2 3.3Å; H1313-I1426 HydrophobicContact CB-CD1 3.96Å; I1317-I1426 HydrophobicContact CD1-CD1 3.5Å; I1317-I1426 VanDerWaalsContact CD1-CD1 3.48Å; H1422-I1426 WeakPolarHBondContact O-CG1 3.25Å; H1422-I1426 PolarHBondContact O-N 3.22Å; H1422-I1426 VanDerWaalsContact O-N 3.13Å; F1423-I1426 PolarHBondContact O-N 3.17Å; I1426-Y1428 VanDerWaalsContact C-N 3.3Å; I1426-Y1428 PolarHBondContact O-N 3.22Å; I1426-C1429 WeakPolarHBondContact O-CB 3.35Å; I1426-C1429 PolarHBondContact O-N 3.2Å; I1426-C1429 VanDerWaalsContact O-N 3.17Å; I1426-L1430 HydrophobicContact CG2-CD1 4.09Å; I1426-L1430 WeakPolarHBondContact O-CG 3.38Å; I1426-L1430 PolarHBondContact O-N 3.23Å |
| 1427 | N | 61.5 | Low | 58.4 | Low | 48 Ų | 48 | 77.2 Ų | 77.2 | 26% | 0.257 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65 | -34.7 | -179.7 | -157.8 | -35.9 | 0 | 0 | 0 | 111.7 | F1423 N1424 K1425 L1430 K1431 | F1423-N1427 WeakPolarHBondContact CE1-ND2 3.33Å; F1423-N1427 WeakPolarHBondContact CZ-ND2 3.43Å; F1423-N1427 VanDerWaalsContact O-CB 3.26Å; F1423-N1427 WeakPolarHBondContact O-CB 3.34Å; F1423-N1427 PolarHBondContact O-N 3.11Å; N1424-N1427 PolarHBondContact O-N 3.07Å; K1425-N1427 VanDerWaalsContact C-N 3.34Å; K1425-N1427 PolarHBondContact O-N 3.34Å; N1427-L1430 PolarHBondContact O-N 2.76Å; N1427-K1431 WeakPolarHBondContact O-CB 3.37Å; N1427-K1431 WeakPolarHBondContact O-CD 3.43Å; N1427-K1431 WeakPolarHBondContact O-CG 3.39Å; N1427-K1431 PolarHBondContact O-N 3.22Å; N1427-K1431 VanDerWaalsContact O-N 3.16Å; N1427-K1431 VanDerWaalsContact OD1-CE 3.24Å; N1427-K1431 WeakPolarHBondContact OD1-CE 3.37Å; N1427-K1431 PolarHBondContact OD1-NZ 3.08Å |
| 1428 | Y | 55.6 | Low | 55.8 | Low | 156.6 Ų | 156.6 | 77.1 Ų | 77.1 | 61% | 0.614 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.7 | -46.2 | 171.3 | -176.6 | -93.2 | 0 | 0 | 0 | 112.2 | N1424 K1425 I1426 L1430 K1431 T1432 | N1424-Y1428 WeakPolarHBondContact O-CB 3.36Å; N1424-Y1428 PolarHBondContact O-N 3.02Å; K1425-Y1428 WeakPolarHBondContact O-CB 3.48Å; K1425-Y1428 PolarHBondContact O-N 3.24Å; I1426-Y1428 VanDerWaalsContact C-N 3.3Å; I1426-Y1428 PolarHBondContact O-N 3.22Å; Y1428-L1430 VanDerWaalsContact C-N 3.34Å; Y1428-L1430 PolarHBondContact O-N 3.1Å; Y1428-K1431 PolarHBondContact O-N 3.13Å; Y1428-K1431 VanDerWaalsContact O-N 3.15Å; Y1428-T1432 HydrophobicContact CD1-CG2 4.25Å; Y1428-T1432 HydrophobicContact CE1-CG2 3.74Å; Y1428-T1432 HydrophobicContact CE2-CG2 4.22Å; Y1428-T1432 PolarHBondContact O-N 3.04Å; Y1428-T1432 PolarHBondContact O-OG1 2.91Å |
| 1429 | C | 52.7 | Low | 53.2 | Low | 57.8 Ų | 57.8 | 82 Ų | 82 | 39% | 0.391 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -56.5 | -48.9 | 176.4 | -70.2 | 0 | 0 | 0 | 0 | 111.7 | K1425 I1426 K1431 T1432 S1433 | K1425-C1429 PolarHBondContact O-N 3.35Å; K1425-C1429 VanDerWaalsContact O-N 3.1Å; K1425-C1429 PolarHBondContact O-SG 3.01Å; K1425-C1429 VanDerWaalsContact O-SG 3.39Å; I1426-C1429 WeakPolarHBondContact O-CB 3.35Å; I1426-C1429 PolarHBondContact O-N 3.2Å; I1426-C1429 VanDerWaalsContact O-N 3.17Å; C1429-K1431 VanDerWaalsContact C-N 3.31Å; C1429-K1431 PolarHBondContact O-N 3.18Å; C1429-T1432 WeakPolarHBondContact CA-OG1 3.4Å; C1429-T1432 PolarHBondContact O-N 3.07Å; C1429-T1432 VanDerWaalsContact O-N 3.09Å; C1429-T1432 PolarHBondContact O-OG1 3.28Å; C1429-T1432 VanDerWaalsContact O-OG1 3.06Å; C1429-S1433 PolarHBondContact O-N 3.21Å; C1429-S1433 VanDerWaalsContact O-N 3.08Å; C1429-S1433 PolarHBondContact O-OG 3.08Å |
| 1430 | L | 51.3 | Low | 50.3 | Low | 29.8 Ų | 29.8 | 88.6 Ų | 88.6 | 16% | 0.156 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -58.9 | -41.5 | 176.6 | -71.4 | 167.9 | 0 | 0 | 0 | 112.4 | N1307 L1311 I1426 N1427 Y1428 T1432 S1433 L1434 | N1307-L1430 HydrophobicContact CB-CD2 4.36Å; L1311-L1430 HydrophobicContact CB-CD1 4.36Å; L1311-L1430 HydrophobicContact CB-CD2 4.48Å; L1311-L1430 HydrophobicContact CD1-CD1 4.47Å; I1426-L1430 HydrophobicContact CG2-CD1 4.09Å; I1426-L1430 WeakPolarHBondContact O-CG 3.38Å; I1426-L1430 PolarHBondContact O-N 3.23Å; N1427-L1430 PolarHBondContact O-N 2.76Å; Y1428-L1430 VanDerWaalsContact C-N 3.34Å; Y1428-L1430 PolarHBondContact O-N 3.1Å; L1430-T1432 VanDerWaalsContact C-N 3.34Å; L1430-T1432 PolarHBondContact O-N 3.16Å; L1430-S1433 WeakPolarHBondContact O-CB 3.44Å; L1430-S1433 PolarHBondContact O-N 3.14Å; L1430-S1433 VanDerWaalsContact O-N 3.12Å; L1430-S1433 PolarHBondContact O-OG 3.13Å; L1430-S1433 VanDerWaalsContact O-OG 3.13Å; L1430-L1434 WeakPolarHBondContact O-CB 3.42Å; L1430-L1434 WeakPolarHBondContact O-CD1 3.37Å; L1430-L1434 VanDerWaalsContact O-CG 3.28Å; L1430-L1434 WeakPolarHBondContact O-CG 3.33Å; L1430-L1434 PolarHBondContact O-N 3.13Å; L1430-L1434 VanDerWaalsContact O-N 3.13Å |
| 1431 | K | 47.2 | Very low | 47.8 | Very low | 112 Ų | 112 | 92 Ų | 92 | 49% | 0.487 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.9 | -32.4 | 176.2 | -76.1 | 174.1 | 178.4 | 166.6 | 0 | 113.2 | N1427 Y1428 C1429 L1434 Q1435 | N1427-K1431 WeakPolarHBondContact O-CB 3.37Å; N1427-K1431 WeakPolarHBondContact O-CD 3.43Å; N1427-K1431 WeakPolarHBondContact O-CG 3.39Å; N1427-K1431 PolarHBondContact O-N 3.22Å; N1427-K1431 VanDerWaalsContact O-N 3.16Å; N1427-K1431 VanDerWaalsContact OD1-CE 3.24Å; N1427-K1431 WeakPolarHBondContact OD1-CE 3.37Å; N1427-K1431 PolarHBondContact OD1-NZ 3.08Å; Y1428-K1431 PolarHBondContact O-N 3.13Å; Y1428-K1431 VanDerWaalsContact O-N 3.15Å; C1429-K1431 VanDerWaalsContact C-N 3.31Å; C1429-K1431 PolarHBondContact O-N 3.18Å; K1431-L1434 WeakPolarHBondContact O-CB 3.49Å; K1431-L1434 PolarHBondContact O-N 3.41Å; K1431-Q1435 WeakPolarHBondContact O-CB 3.22Å; K1431-Q1435 WeakPolarHBondContact O-CG 3.46Å; K1431-Q1435 PolarHBondContact O-N 2.92Å |
| 1432 | T | 41.5 | Very low | 45.3 | Very low | 57.2 Ų | 57.2 | 92.6 Ų | 92.6 | 35% | 0.351 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -79.9 | -27.5 | 177.2 | 50.9 | 0 | 0 | 0 | 0 | 114.1 | Y1428 C1429 L1430 L1434 Q1435 | Y1428-T1432 HydrophobicContact CD1-CG2 4.25Å; Y1428-T1432 HydrophobicContact CE1-CG2 3.74Å; Y1428-T1432 HydrophobicContact CE2-CG2 4.22Å; Y1428-T1432 PolarHBondContact O-N 3.04Å; Y1428-T1432 PolarHBondContact O-OG1 2.91Å; C1429-T1432 WeakPolarHBondContact CA-OG1 3.4Å; C1429-T1432 PolarHBondContact O-N 3.07Å; C1429-T1432 VanDerWaalsContact O-N 3.09Å; C1429-T1432 PolarHBondContact O-OG1 3.28Å; C1429-T1432 VanDerWaalsContact O-OG1 3.06Å; L1430-T1432 VanDerWaalsContact C-N 3.34Å; L1430-T1432 PolarHBondContact O-N 3.16Å; T1432-L1434 VanDerWaalsContact C-N 3.26Å; T1432-Q1435 PolarHBondContact O-N 3.33Å |
| 1433 | S | 40.3 | Very low | 42.8 | Very low | 32.2 Ų | 32.2 | 98.2 Ų | 98.2 | 23% | 0.225 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -70.4 | -37.4 | 170.5 | 42.3 | 0 | 0 | 0 | 0 | 111.6 | N1307 C1429 L1430 Q1435 K1436 | N1307-S1433 WeakPolarHBondContact OD1-CB 3.4Å; N1307-S1433 PolarHBondContact OD1-OG 3.27Å; C1429-S1433 PolarHBondContact O-N 3.21Å; C1429-S1433 VanDerWaalsContact O-N 3.08Å; C1429-S1433 PolarHBondContact O-OG 3.08Å; L1430-S1433 WeakPolarHBondContact O-CB 3.44Å; L1430-S1433 PolarHBondContact O-N 3.14Å; L1430-S1433 VanDerWaalsContact O-N 3.12Å; L1430-S1433 PolarHBondContact O-OG 3.13Å; L1430-S1433 VanDerWaalsContact O-OG 3.13Å; S1433-Q1435 VanDerWaalsContact C-N 3.3Å; S1433-Q1435 PolarHBondContact O-N 3.15Å; S1433-Q1435 VanDerWaalsContact O-N 3.16Å; S1433-K1436 PolarHBondContact O-N 3.46Å |
| 1434 | L | 36.9 | Very low | 40.4 | Very low | 105.4 Ų | 105.4 | 102.3 Ų | 102.3 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.6 | -18.2 | 176.7 | -85.8 | 144.7 | 0 | 0 | 0 | 115.3 | Y1270 L1430 K1431 T1432 K1436 | Y1270-L1434 HydrophobicContact CD1-CD1 4.49Å; Y1270-L1434 HydrophobicContact CD2-CD2 4.42Å; Y1270-L1434 HydrophobicContact CE1-CD1 3.65Å; Y1270-L1434 HydrophobicContact CE1-CG 4.3Å; Y1270-L1434 HydrophobicContact CE2-CD1 4.23Å; Y1270-L1434 HydrophobicContact CE2-CD2 4.05Å; Y1270-L1434 HydrophobicContact CE2-CG 3.97Å; Y1270-L1434 VanDerWaalsContact CZ-CD1 3.5Å; Y1270-L1434 WeakPolarHBondContact OH-CD1 3.42Å; L1430-L1434 WeakPolarHBondContact O-CB 3.42Å; L1430-L1434 WeakPolarHBondContact O-CD1 3.37Å; L1430-L1434 VanDerWaalsContact O-CG 3.28Å; L1430-L1434 WeakPolarHBondContact O-CG 3.33Å; L1430-L1434 PolarHBondContact O-N 3.13Å; L1430-L1434 VanDerWaalsContact O-N 3.13Å; K1431-L1434 WeakPolarHBondContact O-CB 3.49Å; K1431-L1434 PolarHBondContact O-N 3.41Å; T1432-L1434 VanDerWaalsContact C-N 3.26Å; L1434-K1436 VanDerWaalsContact C-N 3.29Å; L1434-K1436 PolarHBondContact O-N 3.23Å |
| 1435 | Q | 31.9 | Very low | 38 | Very low | 169 Ų | 169 | 101.4 Ų | 101.4 | 79% | 0.79 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 2.9 | -177.7 | -79.3 | -167.9 | -15.1 | 0 | 0 | 114.9 | K1431 T1432 S1433 E1437 | K1431-Q1435 WeakPolarHBondContact O-CB 3.22Å; K1431-Q1435 WeakPolarHBondContact O-CG 3.46Å; K1431-Q1435 PolarHBondContact O-N 2.92Å; T1432-Q1435 PolarHBondContact O-N 3.33Å; S1433-Q1435 VanDerWaalsContact C-N 3.3Å; S1433-Q1435 PolarHBondContact O-N 3.15Å; S1433-Q1435 VanDerWaalsContact O-N 3.16Å; Q1435-E1437 PolarHBondContact O-N 3.08Å |
| 1436 | K | 29.3 | Very low | 35.8 | Very low | 151.2 Ų | 151.2 | 106.1 Ų | 106.1 | 66% | 0.657 | 56% | 0.562 | S | S | * | * | trans | -90.4 | 110.6 | 172.8 | -73 | -177.1 | 179 | 175.4 | 0 | 110.3 | S1433 L1434 | S1433-K1436 PolarHBondContact O-N 3.46Å; L1434-K1436 VanDerWaalsContact C-N 3.29Å; L1434-K1436 PolarHBondContact O-N 3.23Å | ||
| 1437 | E | 24.6 | Very low | 33.7 | Very low | 171.4 Ų | 171.4 | 114.4 Ų | 114.4 | 80% | 0.801 | 60% | 0.598 | S | S | * | * | trans | -47.4 | 148.5 | 164.7 | -71.4 | -175.7 | 130.2 | 0 | 0 | 111.1 | Q1435 I1439 | Q1435-E1437 PolarHBondContact O-N 3.08Å; E1437-I1439 PolarHBondContact O-N 3.03Å; E1437-I1439 VanDerWaalsContact O-N 3.11Å | ||
| 1438 | P | 24.3 | Very low | 31.9 | Very low | 111.8 Ų | 111.8 | 119.7 Ų | 119.7 | 73% | 0.726 | 62% | 0.624 | S | S | * | * | trans | -56.1 | 118.4 | 179.7 | 23.2 | -33.8 | 0 | 0 | 0 | 110 | N1440 | P1438-N1440 VanDerWaalsContact C-N 3.33Å; P1438-N1440 PolarHBondContact O-N 3.15Å | ||
| 1439 | I | 25 | Very low | 30.3 | Very low | 121.2 Ų | 121.2 | 116.8 Ų | 116.8 | 62% | 0.622 | 63% | 0.627 | S | S | * | * | trans | -68.4 | 95.8 | -171.7 | -56.2 | 178.7 | 0 | 0 | 0 | 109 | E1437 L1441 | E1437-I1439 PolarHBondContact O-N 3.03Å; E1437-I1439 VanDerWaalsContact O-N 3.11Å; I1439-L1441 VanDerWaalsContact C-N 3.27Å; I1439-L1441 HydrophobicContact CB-CD1 4.33Å; I1439-L1441 HydrophobicContact CG2-CB 4.24Å; I1439-L1441 HydrophobicContact CG2-CD1 3.81Å; I1439-L1441 HydrophobicContact CG2-CG 3.92Å; I1439-L1441 VanDerWaalsContact CG2-CG 3.49Å; I1439-L1441 PolarHBondContact O-N 3.21Å | ||
| 1440 | N | 22.8 | Very low | 28.9 | Very low | 139 Ų | 139 | 122.3 Ų | 122.3 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | trans | -64.3 | 86.4 | 170.5 | -99.4 | -54.3 | 0 | 0 | 0 | 109.6 | P1438 V1442 | P1438-N1440 VanDerWaalsContact C-N 3.33Å; P1438-N1440 PolarHBondContact O-N 3.15Å; N1440-V1442 HydrophobicContact CB-CG2 4.28Å; N1440-V1442 PolarHBondContact O-N 3.23Å | ||
| 1441 | L | 24.3 | Very low | 27.6 | Very low | 115.4 Ų | 115.4 | 126.8 Ų | 126.8 | 60% | 0.604 | 68% | 0.675 | S | S | * | * | trans | -74.6 | 55.2 | 178.5 | -94.6 | 156.2 | 0 | 0 | 0 | 111.9 | I1439 N1443 | I1439-L1441 VanDerWaalsContact C-N 3.27Å; I1439-L1441 HydrophobicContact CB-CD1 4.33Å; I1439-L1441 HydrophobicContact CG2-CB 4.24Å; I1439-L1441 HydrophobicContact CG2-CD1 3.81Å; I1439-L1441 HydrophobicContact CG2-CG 3.92Å; I1439-L1441 VanDerWaalsContact CG2-CG 3.49Å; I1439-L1441 PolarHBondContact O-N 3.21Å; L1441-N1443 PolarHBondContact O-N 3.03Å | ||
| 1442 | V | 23.2 | Very low | 26.5 | Very low | 102.4 Ų | 102.4 | 126.9 Ų | 126.9 | 62% | 0.621 | 69% | 0.686 | S | S | * | * | trans | -93.8 | 100.3 | 174.9 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | N1440 T1444 | N1440-V1442 HydrophobicContact CB-CG2 4.28Å; N1440-V1442 PolarHBondContact O-N 3.23Å; V1442-T1444 PolarHBondContact O-N 3.33Å; V1442-T1444 VanDerWaalsContact O-N 3.14Å | ||
| 1443 | N | 23.5 | Very low | 25.8 | Very low | 142.6 Ų | 142.6 | 131.3 Ų | 131.3 | 76% | 0.763 | 70% | 0.702 | S | S | * | * | trans | 46.5 | 65.2 | 158 | -71.3 | -16.3 | 0 | 0 | 0 | 118.5 | L1441 | L1441-N1443 PolarHBondContact O-N 3.03Š| ||
| 1444 | T | 24.4 | Very low | 25 | Very low | 134 Ų | 134 | 132.3 Ų | 132.3 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | trans | -125.9 | 112.3 | 146.3 | 47.3 | 0 | 0 | 0 | 0 | 109.9 | V1442 F1446 | V1442-T1444 PolarHBondContact O-N 3.33Å; V1442-T1444 VanDerWaalsContact O-N 3.14Å; T1444-F1446 PolarHBondContact O-N 3.36Å | ||
| 1445 | G | 22.4 | Very low | 24.3 | Very low | 70.8 Ų | 70.8 | 133.2 Ų | 133.2 | 73% | 0.73 | 72% | 0.723 | S | S | * | * | trans | -83 | 138.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1447 | G1445-K1447 PolarHBondContact O-N 3.15Š| ||
| 1446 | F | 22.2 | Very low | 24 | Very low | 188.2 Ų | 188.2 | 130.1 Ų | 130.1 | 83% | 0.825 | 72% | 0.716 | S | S | * | * | trans | -46.6 | 106.3 | 166.6 | -98.6 | -92.4 | 0 | 0 | 0 | 114.8 | T1444 I1448 | T1444-F1446 PolarHBondContact O-N 3.36Å; F1446-I1448 HydrophobicContact CD1-CD1 4.44Å; F1446-I1448 HydrophobicContact CD1-CG1 4.49Å | ||
| 1447 | K | 22.7 | Very low | 23.8 | Very low | 187.2 Ų | 187.2 | 127.6 Ų | 127.6 | 81% | 0.814 | 71% | 0.713 | S | S | * | * | trans | -156.4 | 116.1 | 143.3 | -85.3 | 177 | -179 | 177.9 | 0 | 113.5 | G1445 S1449 | G1445-K1447 PolarHBondContact O-N 3.15Å; K1447-S1449 VanDerWaalsContact C-N 3.3Å; K1447-S1449 PolarHBondContact O-N 2.96Å; K1447-S1449 VanDerWaalsContact O-N 3.11Å; K1447-S1449 PolarHBondContact O-OG 3.47Å | ||
| 1448 | I | 23.9 | Very low | 23.9 | Very low | 159.4 Ų | 159.4 | 124 Ų | 124 | 82% | 0.817 | 70% | 0.703 | S | S | * | * | trans | -61.7 | 114 | 161.9 | -60.8 | 165.8 | 0 | 0 | 0 | 107.8 | F1446 Q1450 | F1446-I1448 HydrophobicContact CD1-CD1 4.44Å; F1446-I1448 HydrophobicContact CD1-CG1 4.49Å; I1448-Q1450 HydrophobicContact CG2-CG 4.14Å; I1448-Q1450 PolarHBondContact O-N 3.08Å | ||
| 1449 | S | 22.6 | Very low | 23.9 | Very low | 95.6 Ų | 95.6 | 128 Ų | 128 | 67% | 0.669 | 70% | 0.704 | S | S | * | * | trans | -117.3 | 114.3 | 164.9 | 7.1 | 0 | 0 | 0 | 0 | 108.9 | K1447 T1451 | K1447-S1449 VanDerWaalsContact C-N 3.3Å; K1447-S1449 PolarHBondContact O-N 2.96Å; K1447-S1449 VanDerWaalsContact O-N 3.11Å; K1447-S1449 PolarHBondContact O-OG 3.47Å; S1449-T1451 PolarHBondContact O-N 3.06Å; S1449-T1451 PolarHBondContact O-OG1 2.92Å | ||
| 1450 | Q | 23.7 | Very low | 23.9 | Very low | 172.2 Ų | 172.2 | 130.4 Ų | 130.4 | 81% | 0.805 | 71% | 0.706 | S | S | * | * | trans | -56 | 104 | 165.6 | -67.5 | 175.2 | -40.5 | 0 | 0 | 111.2 | I1448 T1452 | I1448-Q1450 HydrophobicContact CG2-CG 4.14Å; I1448-Q1450 PolarHBondContact O-N 3.08Å; Q1450-T1452 HydrophobicContact CB-CG2 4.47Å; Q1450-T1452 WeakPolarHBondContact O-CB 2.92Å; Q1450-T1452 WeakPolarHBondContact O-CG2 3.46Å; Q1450-T1452 PolarHBondContact O-N 3.09Å; Q1450-T1452 PolarHBondContact O-OG1 2.89Å | ||
| 1451 | T | 23.7 | Very low | 24 | Very low | 124.2 Ų | 124.2 | 129.2 Ų | 129.2 | 76% | 0.762 | 70% | 0.696 | S | S | * | * | trans | -91.7 | 90.3 | 169.4 | 49.7 | 0 | 0 | 0 | 0 | 110.2 | S1449 H1453 | S1449-T1451 PolarHBondContact O-N 3.06Å; S1449-T1451 PolarHBondContact O-OG1 2.92Å; T1451-H1453 PolarHBondContact O-N 3.48Å | ||
| 1452 | T | 24.4 | Very low | 24 | Very low | 114.6 Ų | 114.6 | 130.3 Ų | 130.3 | 70% | 0.703 | 70% | 0.703 | S | S | * | * | -106.7 | 117.3 | 106.6 | 28.8 | 0 | 0 | 0 | 0 | 112.2 | Q1450 G1454 N1455 | Q1450-T1452 HydrophobicContact CB-CG2 4.47Å; Q1450-T1452 WeakPolarHBondContact O-CB 2.92Å; Q1450-T1452 WeakPolarHBondContact O-CG2 3.46Å; Q1450-T1452 PolarHBondContact O-N 3.09Å; Q1450-T1452 PolarHBondContact O-OG1 2.89Å; T1452-G1454 PolarHBondContact O-N 3.13Å; T1452-N1455 PolarHBondContact O-N 3.18Å | |||
| 1453 | H | 25.4 | Very low | 24.2 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 69% | 0.69 | 71% | 0.706 | S | S | * | * | trans | -64.3 | 109.3 | 160.8 | -78.6 | -58.8 | 0 | 0 | 0 | 112.6 | T1451 N1455 T1456 V1457 | T1451-H1453 PolarHBondContact O-N 3.48Å; H1453-N1455 VanDerWaalsContact C-N 3.28Å; H1453-N1455 HydrophobicContact CB-CB 4.31Å; H1453-N1455 PolarHBondContact O-N 2.92Å; H1453-N1455 VanDerWaalsContact O-N 3.13Å; H1453-T1456 PolarHBondContact O-N 3.27Å; H1453-T1456 VanDerWaalsContact O-N 3.14Å; H1453-V1457 VanDerWaalsContact O-CG2 3.29Å; H1453-V1457 WeakPolarHBondContact O-CG2 3.27Å; H1453-V1457 PolarHBondContact O-N 3.24Å | ||
| 1454 | G | 22.9 | Very low | 24.3 | Very low | 54.6 Ų | 54.6 | 128 Ų | 128 | 56% | 0.563 | 70% | 0.698 | S | S | * | * | trans | -89.2 | 15.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114 | T1452 T1456 T1458 | T1452-G1454 PolarHBondContact O-N 3.13Å; G1454-T1456 VanDerWaalsContact C-N 3.32Å; G1454-T1456 PolarHBondContact O-N 2.88Å; G1454-T1456 PolarHBondContact O-OG1 3.24Å; G1454-T1458 WeakPolarHBondContact O-CB 3.43Å; G1454-T1458 PolarHBondContact O-N 3.15Å; G1454-T1458 PolarHBondContact O-OG1 3Å | ||
| 1455 | N | 24.1 | Very low | 24.2 | Very low | 122.4 Ų | 122.4 | 126.1 Ų | 126.1 | 66% | 0.655 | 69% | 0.686 | S | S | * | * | trans | -35 | 23.5 | 176.2 | -78.1 | -20.2 | 0 | 0 | 0 | 113.8 | T1452 H1453 V1457 T1458 R1459 | T1452-N1455 PolarHBondContact O-N 3.18Å; H1453-N1455 VanDerWaalsContact C-N 3.28Å; H1453-N1455 HydrophobicContact CB-CB 4.31Å; H1453-N1455 PolarHBondContact O-N 2.92Å; H1453-N1455 VanDerWaalsContact O-N 3.13Å; N1455-V1457 HydrophobicContact CB-CG2 4.43Å; N1455-V1457 PolarHBondContact O-N 3.05Å; N1455-V1457 WeakPolarHBondContact OD1-CG2 3.23Å; N1455-T1458 WeakPolarHBondContact CA-OG1 3.47Å; N1455-R1459 WeakPolarHBondContact O-CB 3.38Å; N1455-R1459 WeakPolarHBondContact O-CG 3.32Å; N1455-R1459 PolarHBondContact O-N 3.29Å | ||
| 1456 | T | 25.3 | Very low | 24.4 | Very low | 104.8 Ų | 104.8 | 127.8 Ų | 127.8 | 64% | 0.643 | 68% | 0.684 | S | S | * | * | trans | -84.3 | 42.9 | 154.1 | -8.4 | 0 | 0 | 0 | 0 | 110.1 | H1453 G1454 T1458 R1459 Y1460 | H1453-T1456 PolarHBondContact O-N 3.27Å; H1453-T1456 VanDerWaalsContact O-N 3.14Å; G1454-T1456 VanDerWaalsContact C-N 3.32Å; G1454-T1456 PolarHBondContact O-N 2.88Å; G1454-T1456 PolarHBondContact O-OG1 3.24Å; T1456-T1458 HydrophobicContact CG2-CG2 4.12Å; T1456-T1458 WeakPolarHBondContact CG2-OG1 3.28Å; T1456-T1458 PolarHBondContact O-N 3.34Å; T1456-T1458 PolarHBondContact O-OG1 3.26Å; T1456-R1459 PolarHBondContact O-N 3.24Å; T1456-R1459 VanDerWaalsContact O-N 3.12Å; T1456-Y1460 HydrophobicContact CG2-CD2 4.44Å; T1456-Y1460 HydrophobicContact CG2-CE2 4.2Å; T1456-Y1460 VanDerWaalsContact O-CD2 3.22Å; T1456-Y1460 WeakPolarHBondContact O-CD2 3.31Å; T1456-Y1460 PolarHBondContact O-N 3.22Å | ||
| 1457 | V | 25.1 | Very low | 24.5 | Very low | 99.4 Ų | 99.4 | 125.3 Ų | 125.3 | 60% | 0.602 | 68% | 0.678 | S | S | * | * | trans | -69.9 | 36.9 | 169.1 | -179.4 | 0 | 0 | 0 | 0 | 109.5 | H1453 N1455 R1459 Y1460 Q1461 | H1453-V1457 VanDerWaalsContact O-CG2 3.29Å; H1453-V1457 WeakPolarHBondContact O-CG2 3.27Å; H1453-V1457 PolarHBondContact O-N 3.24Å; N1455-V1457 HydrophobicContact CB-CG2 4.43Å; N1455-V1457 PolarHBondContact O-N 3.05Å; N1455-V1457 WeakPolarHBondContact OD1-CG2 3.23Å; V1457-R1459 VanDerWaalsContact C-N 3.29Å; V1457-R1459 HydrophobicContact CG1-CG 3.94Å; V1457-R1459 PolarHBondContact O-N 3.32Å; V1457-Y1460 PolarHBondContact O-N 3.35Å; V1457-Q1461 WeakPolarHBondContact O-CB 3.18Å; V1457-Q1461 PolarHBondContact O-N 3.2Å | ||
| 1458 | T | 25.5 | Very low | 24.6 | Very low | 96 Ų | 96 | 120.7 Ų | 120.7 | 59% | 0.589 | 67% | 0.67 | S | S | * | * | trans | -86.8 | 42.7 | 173.9 | 18.8 | 0 | 0 | 0 | 0 | 111.9 | G1454 N1455 T1456 Y1460 Q1461 N1462 | G1454-T1458 WeakPolarHBondContact O-CB 3.43Å; G1454-T1458 PolarHBondContact O-N 3.15Å; G1454-T1458 PolarHBondContact O-OG1 3Å; N1455-T1458 WeakPolarHBondContact CA-OG1 3.47Å; T1456-T1458 HydrophobicContact CG2-CG2 4.12Å; T1456-T1458 WeakPolarHBondContact CG2-OG1 3.28Å; T1456-T1458 PolarHBondContact O-N 3.34Å; T1456-T1458 PolarHBondContact O-OG1 3.26Å; T1458-Y1460 VanDerWaalsContact C-N 3.31Å; T1458-Y1460 PolarHBondContact O-N 3.25Å; T1458-Q1461 PolarHBondContact O-N 3.45Å; T1458-N1462 PolarHBondContact O-N 2.93Å | ||
| 1459 | R | 25.1 | Very low | 24.6 | Very low | 194.8 Ų | 194.8 | 120.6 Ų | 120.6 | 74% | 0.735 | 67% | 0.666 | S | S | * | * | trans | -27.8 | 62.5 | 163.5 | -71 | -178.7 | -176.1 | 175.5 | 2.1 | 114 | N1455 T1456 V1457 Q1461 | N1455-R1459 WeakPolarHBondContact O-CB 3.38Å; N1455-R1459 WeakPolarHBondContact O-CG 3.32Å; N1455-R1459 PolarHBondContact O-N 3.29Å; T1456-R1459 PolarHBondContact O-N 3.24Å; T1456-R1459 VanDerWaalsContact O-N 3.12Å; V1457-R1459 VanDerWaalsContact C-N 3.29Å; V1457-R1459 HydrophobicContact CG1-CG 3.94Å; V1457-R1459 PolarHBondContact O-N 3.32Å; R1459-Q1461 HydrophobicContact CB-CB 4.47Å; R1459-Q1461 PolarHBondContact O-N 3.13Å; R1459-Q1461 VanDerWaalsContact O-N 3.12Å | ||
| 1460 | Y | 25.8 | Very low | 24.7 | Very low | 171.8 Ų | 171.8 | 125.7 Ų | 125.7 | 67% | 0.674 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -60.6 | 63.6 | 155.9 | -76.4 | -98 | 0 | 0 | 0 | 111.5 | F1215 E1357 K1425 T1456 V1457 T1458 N1462 A1463 L1464 | F1215-Y1460 HydrophobicContact CE1-CE1 4.39Å; F1215-Y1460 AromaticContact CE1-CE2 3.91Å; F1215-Y1460 HydrophobicContact CE1-CE2 3.91Å; F1215-Y1460 AromaticContact CE1-CZ 3.71Å; F1215-Y1460 HydrophobicContact CZ-CE2 4.46Å; E1357-Y1460 HydrophobicContact CG-CE1 4.23Å; E1357-Y1460 WeakPolarHBondContact OE1-CE1 3.34Å; E1357-Y1460 PolarHBondContact OE1-OH 2.6Å; K1425-Y1460 VanDerWaalsContact NZ-CG 3.34Å; T1456-Y1460 HydrophobicContact CG2-CD2 4.44Å; T1456-Y1460 HydrophobicContact CG2-CE2 4.2Å; T1456-Y1460 VanDerWaalsContact O-CD2 3.22Å; T1456-Y1460 WeakPolarHBondContact O-CD2 3.31Å; T1456-Y1460 PolarHBondContact O-N 3.22Å; V1457-Y1460 PolarHBondContact O-N 3.35Å; T1458-Y1460 VanDerWaalsContact C-N 3.31Å; T1458-Y1460 PolarHBondContact O-N 3.25Å; Y1460-N1462 VanDerWaalsContact C-N 3.33Å; Y1460-N1462 PolarHBondContact O-N 3.18Å; Y1460-A1463 WeakPolarHBondContact O-CB 3.42Å; Y1460-A1463 PolarHBondContact O-N 3.2Å; Y1460-A1463 VanDerWaalsContact O-N 3.11Å; Y1460-L1464 WeakPolarHBondContact O-CB 3.49Å; Y1460-L1464 WeakPolarHBondContact O-CG 3.35Å; Y1460-L1464 PolarHBondContact O-N 2.91Å |
| 1461 | Q | 24.7 | Very low | 24.7 | Very low | 114.4 Ų | 114.4 | 123.2 Ų | 123.2 | 54% | 0.535 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -130.3 | -10.2 | 161.7 | -127.3 | 164.4 | 1.8 | 0 | 0 | 114.8 | V1457 T1458 R1459 A1463 L1464 T1465 N1488 | V1457-Q1461 WeakPolarHBondContact O-CB 3.18Å; V1457-Q1461 PolarHBondContact O-N 3.2Å; T1458-Q1461 PolarHBondContact O-N 3.45Å; R1459-Q1461 HydrophobicContact CB-CB 4.47Å; R1459-Q1461 PolarHBondContact O-N 3.13Å; R1459-Q1461 VanDerWaalsContact O-N 3.12Å; Q1461-A1463 VanDerWaalsContact C-N 3.33Å; Q1461-A1463 PolarHBondContact O-N 2.93Å; Q1461-L1464 CarbonylContact O-C 3.59Å; Q1461-L1464 PolarHBondContact O-N 2.89Å; Q1461-L1464 VanDerWaalsContact O-N 3.17Å; Q1461-T1465 PolarHBondContact O-N 3.19Å; Q1461-T1465 PolarHBondContact O-OG1 3.36Å; Q1461-N1488 VanDerWaalsContact CG-OD1 3.32Å; Q1461-N1488 WeakPolarHBondContact CG-OD1 3.37Å; Q1461-N1488 PolarHBondContact NE2-OD1 2.93Å |
| 1462 | N | 24.6 | Very low | 24.7 | Very low | 138.4 Ų | 138.4 | 123.4 Ų | 123.4 | 74% | 0.74 | 67% | 0.673 | S | S | * | * | trans | -103.1 | 44.6 | 171.9 | -72.6 | -25.3 | 0 | 0 | 0 | 114.8 | T1458 Y1460 L1464 T1465 | T1458-N1462 PolarHBondContact O-N 2.93Å; Y1460-N1462 VanDerWaalsContact C-N 3.33Å; Y1460-N1462 PolarHBondContact O-N 3.18Å; N1462-L1464 VanDerWaalsContact C-N 3.34Å; N1462-T1465 PolarHBondContact O-OG1 2.6Å | ||
| 1463 | A | 26 | Very low | 24.6 | Very low | 83.8 Ų | 83.8 | 123 Ų | 123 | 69% | 0.693 | 68% | 0.675 | S | S | * | * | trans | -125.7 | 22.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y1460 Q1461 T1465 | Y1460-A1463 WeakPolarHBondContact O-CB 3.42Å; Y1460-A1463 PolarHBondContact O-N 3.2Å; Y1460-A1463 VanDerWaalsContact O-N 3.11Å; Q1461-A1463 VanDerWaalsContact C-N 3.33Å; Q1461-A1463 PolarHBondContact O-N 2.93Å; A1463-T1465 PolarHBondContact O-N 3.35Å | ||
| 1464 | L | 25.2 | Very low | 24.5 | Very low | 111.8 Ų | 111.8 | 124.5 Ų | 124.5 | 59% | 0.585 | 68% | 0.683 | S | S | * | * | trans | -87.8 | 75.6 | 163.4 | -79.4 | 170.2 | 0 | 0 | 0 | 111.9 | Y1358 I1375 Y1460 Q1461 N1462 N1485 S1487 | Y1358-L1464 HydrophobicContact CE2-CD1 4.25Å; I1375-L1464 HydrophobicContact CD1-CD1 3.85Å; I1375-L1464 HydrophobicContact CG1-CD1 4.29Å; I1375-L1464 HydrophobicContact CG2-CD1 3.92Å; I1375-L1464 HydrophobicContact CG2-CD2 4.07Å; I1375-L1464 HydrophobicContact CG2-CG 4.48Å; Y1460-L1464 WeakPolarHBondContact O-CB 3.49Å; Y1460-L1464 WeakPolarHBondContact O-CG 3.35Å; Y1460-L1464 PolarHBondContact O-N 2.91Å; Q1461-L1464 CarbonylContact O-C 3.59Å; Q1461-L1464 PolarHBondContact O-N 2.89Å; Q1461-L1464 VanDerWaalsContact O-N 3.17Å; N1462-L1464 VanDerWaalsContact C-N 3.34Å; L1464-N1485 HydrophobicContact CD2-CB 4.05Å; L1464-S1487 VanDerWaalsContact CD1-N 3.34Å; L1464-S1487 VanDerWaalsContact CD1-O 3.27Å; L1464-S1487 WeakPolarHBondContact CD1-O 3.2Å | ||
| 1465 | T | 23.9 | Very low | 24.6 | Very low | 95.4 Ų | 95.4 | 128.3 Ų | 128.3 | 59% | 0.585 | 70% | 0.695 | S | S | * | * | trans | -27.6 | 136 | 163.4 | 21 | 0 | 0 | 0 | 0 | 112.1 | Q1461 N1462 A1463 I1467 | Q1461-T1465 PolarHBondContact O-N 3.19Å; Q1461-T1465 PolarHBondContact O-OG1 3.36Å; N1462-T1465 PolarHBondContact O-OG1 2.6Å; A1463-T1465 PolarHBondContact O-N 3.35Å; T1465-I1467 HydrophobicContact CG2-CD1 4.15Å; T1465-I1467 HydrophobicContact CG2-CG1 4.29Å; T1465-I1467 PolarHBondContact O-N 2.97Å | ||
| 1466 | P | 25 | Very low | 24.6 | Very low | 106.4 Ų | 106.4 | 127.7 Ų | 127.7 | 69% | 0.691 | 70% | 0.7 | S | S | * | * | -105.7 | 118.3 | 76.6 | 26.4 | -15.8 | 0 | 0 | 0 | 113.6 | S1468 | P1466-S1468 PolarHBondContact O-N 3.31Š| |||
| 1467 | I | 25.5 | Very low | 24.5 | Very low | 134.8 Ų | 134.8 | 127.9 Ų | 127.9 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | trans | -87 | 84.7 | 150.2 | -59.5 | 172.9 | 0 | 0 | 0 | 107.1 | N1377 T1465 | N1377-I1467 VanDerWaalsContact ND2-CD1 3.33Å; N1377-I1467 WeakPolarHBondContact ND2-CD1 3.32Å; N1377-I1467 VanDerWaalsContact ND2-CG2 3.26Å; N1377-I1467 WeakPolarHBondContact ND2-CG2 3.35Å; T1465-I1467 HydrophobicContact CG2-CD1 4.15Å; T1465-I1467 HydrophobicContact CG2-CG1 4.29Å; T1465-I1467 PolarHBondContact O-N 2.97Å | ||
| 1468 | S | 24.4 | Very low | 24.4 | Very low | 91.6 Ų | 91.6 | 133.7 Ų | 133.7 | 64% | 0.641 | 72% | 0.716 | S | S | * | * | trans | -114.5 | 107.4 | 168.1 | 58.3 | 0 | 0 | 0 | 0 | 112.9 | P1466 | P1466-S1468 PolarHBondContact O-N 3.31Š| ||
| 1469 | E | 24 | Very low | 24.4 | Very low | 157.4 Ų | 157.4 | 137.2 Ų | 137.2 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -128.1 | 116.3 | 170.6 | -60.2 | -172.4 | 144.2 | 0 | 0 | 115.6 | ||
| 1470 | Y | 23.7 | Very low | 24.4 | Very low | 201.8 Ų | 201.8 | 134.7 Ų | 134.7 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -136.1 | 49 | 173.2 | -76.1 | -71.4 | 0 | 0 | 0 | 116 | T1472 | Y1470-T1472 VanDerWaalsContact C-N 3.27Å; Y1470-T1472 PolarHBondContact O-N 2.81Å; Y1470-T1472 VanDerWaalsContact O-N 3.13Å |
| 1471 | C | 23.7 | Very low | 24.2 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 81% | 0.811 | 73% | 0.726 | S | S | * | * | trans | -121.6 | 96.1 | 139.4 | -78.8 | 0 | 0 | 0 | 0 | 111.3 | S1473 | C1471-S1473 PolarHBondContact O-N 2.94Š| ||
| 1472 | T | 23.9 | Very low | 24.2 | Very low | 127.2 Ų | 127.2 | 131.9 Ų | 131.9 | 78% | 0.78 | 73% | 0.734 | S | S | * | * | trans | -84.1 | 131.4 | 161.4 | 43.7 | 0 | 0 | 0 | 0 | 109.6 | Y1470 Q1474 | Y1470-T1472 VanDerWaalsContact C-N 3.27Å; Y1470-T1472 PolarHBondContact O-N 2.81Å; Y1470-T1472 VanDerWaalsContact O-N 3.13Å; T1472-Q1474 VanDerWaalsContact C-N 3.31Å; T1472-Q1474 PolarHBondContact O-N 3.37Å | ||
| 1473 | S | 23.6 | Very low | 24.2 | Very low | 107.4 Ų | 107.4 | 132.5 Ų | 132.5 | 75% | 0.751 | 74% | 0.735 | S | S | * | * | trans | -99.8 | 109.2 | -177.3 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | C1471 | C1471-S1473 PolarHBondContact O-N 2.94Š| ||
| 1474 | Q | 23.4 | Very low | 24.1 | Very low | 181 Ų | 181 | 133 Ų | 133 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | trans | 176 | 97.5 | 157.7 | -84.8 | 172.2 | 33.2 | 0 | 0 | 114 | T1472 S1476 | T1472-Q1474 VanDerWaalsContact C-N 3.31Å; T1472-Q1474 PolarHBondContact O-N 3.37Å; Q1474-S1476 PolarHBondContact O-N 3.42Å | ||
| 1475 | T | 25.2 | Very low | 24.1 | Very low | 134.2 Ų | 134.2 | 134.3 Ų | 134.3 | 82% | 0.823 | 74% | 0.741 | S | S | * | * | -168.8 | 108.3 | 129 | 47.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1476 | S | 22.6 | Very low | 24.1 | Very low | 109.8 Ų | 109.8 | 138.2 Ų | 138.2 | 77% | 0.768 | 75% | 0.753 | S | S | * | * | trans | -101.8 | 159.3 | 155.8 | 63.4 | 0 | 0 | 0 | 0 | 110.5 | Q1474 | Q1474-S1476 PolarHBondContact O-N 3.42Š| ||
| 1477 | P | 24.8 | Very low | 24 | Very low | 108.6 Ų | 108.6 | 137.2 Ų | 137.2 | 71% | 0.705 | 75% | 0.748 | S | S | * | * | -121.1 | 160.2 | 69.8 | 35.8 | -23.8 | 0 | 0 | 0 | 112.8 | |||||
| 1478 | Y | 23 | Very low | 23.9 | Very low | 221.8 Ų | 221.8 | 137.1 Ų | 137.1 | 87% | 0.87 | 75% | 0.749 | S | S | * | * | trans | -93.1 | 92.9 | 168.8 | -72.4 | -85.7 | 0 | 0 | 0 | 114 | I1480 | Y1478-I1480 HydrophobicContact CD1-CG1 4.41Š| ||
| 1479 | E | 24.5 | Very low | 24 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | -77.1 | 116.2 | 127.6 | -83.7 | -167.1 | 154.2 | 0 | 0 | 111.5 | |||||
| 1480 | I | 24.8 | Very low | 24 | Very low | 142.4 Ų | 142.4 | 139.9 Ų | 139.9 | 73% | 0.73 | 76% | 0.759 | S | S | * | * | trans | -138.7 | 105.2 | 139.9 | -70.4 | 170.7 | 0 | 0 | 0 | 107.8 | Y1478 S1482 | Y1478-I1480 HydrophobicContact CD1-CG1 4.41Å; I1480-S1482 VanDerWaalsContact C-N 3.25Å; I1480-S1482 PolarHBondContact O-N 3.03Å; I1480-S1482 VanDerWaalsContact O-N 3.11Å | ||
| 1481 | N | 23 | Very low | 24 | Very low | 128.8 Ų | 128.8 | 136.8 Ų | 136.8 | 69% | 0.689 | 76% | 0.756 | S | S | * | * | trans | -129.5 | 118.9 | 152.7 | -87.5 | -31.1 | 0 | 0 | 0 | 112.3 | T705 I1483 | T705-N1481 HydrophobicContact CG2-CB 3.92Å; N1481-I1483 VanDerWaalsContact C-N 3.34Å; N1481-I1483 PolarHBondContact O-N 2.77Å | ||
| 1482 | S | 24.7 | Very low | 23.9 | Very low | 98.8 Ų | 98.8 | 138.4 Ų | 138.4 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | trans | -129.5 | 123.8 | 142.7 | 58.2 | 0 | 0 | 0 | 0 | 113 | I1480 S1484 | I1480-S1482 VanDerWaalsContact C-N 3.25Å; I1480-S1482 PolarHBondContact O-N 3.03Å; I1480-S1482 VanDerWaalsContact O-N 3.11Å; S1482-S1484 PolarHBondContact O-N 2.89Å | ||
| 1483 | I | 23.7 | Very low | 23.9 | Very low | 150.2 Ų | 150.2 | 139.7 Ų | 139.7 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -118.2 | 131.4 | 162.6 | -64.5 | 171.5 | 0 | 0 | 0 | 111.2 | N1481 | N1481-I1483 VanDerWaalsContact C-N 3.34Å; N1481-I1483 PolarHBondContact O-N 2.77Å | ||
| 1484 | S | 24 | Very low | 23.9 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | trans | 145.7 | 137.8 | 160.8 | 62 | 0 | 0 | 0 | 0 | 115.1 | S1482 | S1482-S1484 PolarHBondContact O-N 2.89Š| ||
| 1485 | N | 24.4 | Very low | 23.9 | Very low | 138.8 Ų | 138.8 | 136.6 Ų | 136.6 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | -170.4 | 118.7 | 97.9 | -101.6 | -5.7 | 0 | 0 | 0 | 112 | L1464 | L1464-N1485 HydrophobicContact CD2-CB 4.05Š| |||
| 1486 | E | 24.2 | Very low | 23.9 | Very low | 176.2 Ų | 176.2 | 139.4 Ų | 139.4 | 82% | 0.823 | 75% | 0.751 | S | S | * | * | trans | -144.9 | 131.1 | 136 | -98.3 | -178.4 | 174.6 | 0 | 0 | 111.7 | ||||
| 1487 | S | 23.7 | Very low | 24 | Very low | 86.2 Ų | 86.2 | 143 Ų | 143 | 60% | 0.603 | 75% | 0.753 | S | S | * | * | trans | -166.4 | 131.1 | 150.6 | 67.7 | 0 | 0 | 0 | 0 | 112.6 | L1464 | L1464-S1487 VanDerWaalsContact CD1-N 3.34Å; L1464-S1487 VanDerWaalsContact CD1-O 3.27Å; L1464-S1487 WeakPolarHBondContact CD1-O 3.2Å | ||
| 1488 | N | 23.5 | Very low | 24 | Very low | 132.8 Ų | 132.8 | 146.1 Ų | 146.1 | 71% | 0.71 | 76% | 0.758 | S | S | * | * | trans | 153.8 | 126 | 131.4 | -70.6 | -54 | 0 | 0 | 0 | 112.6 | Q1461 K1490 | Q1461-N1488 VanDerWaalsContact CG-OD1 3.32Å; Q1461-N1488 WeakPolarHBondContact CG-OD1 3.37Å; Q1461-N1488 PolarHBondContact NE2-OD1 2.93Å; N1488-K1490 PolarHBondContact O-N 2.8Å | ||
| 1489 | V | 24.9 | Very low | 24 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | -121.3 | 145 | 71.4 | 163.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1490 | K | 24.2 | Very low | 24.2 | Very low | 174.8 Ų | 174.8 | 141.2 Ų | 141.2 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | trans | -79.1 | 141.2 | 176.9 | -73.3 | 170.6 | -177.4 | 172.6 | 0 | 116.2 | N1488 | N1488-K1490 PolarHBondContact O-N 2.8Š| ||
| 1491 | N | 23.7 | Very low | 24.2 | Very low | 136.4 Ų | 136.4 | 141.3 Ų | 141.3 | 73% | 0.729 | 75% | 0.754 | S | S | * | * | trans | 68.9 | 119.3 | 144.3 | -66.9 | -17.7 | 0 | 0 | 0 | 115.2 | L1493 | N1491-L1493 PolarHBondContact O-N 2.83Å; N1491-L1493 VanDerWaalsContact O-N 3.14Å | ||
| 1492 | N | 23.2 | Very low | 24.2 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | 149.2 | 125.6 | 119.3 | -83.2 | -22.5 | 0 | 0 | 0 | 111 | V1494 | N1492-V1494 PolarHBondContact O-N 3.4Š| |||
| 1493 | L | 23.1 | Very low | 24.1 | Very low | 153.6 Ų | 153.6 | 143.8 Ų | 143.8 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | -140.2 | 149.8 | 105.4 | -110 | 91.5 | 0 | 0 | 0 | 109.8 | N1491 | N1491-L1493 PolarHBondContact O-N 2.83Å; N1491-L1493 VanDerWaalsContact O-N 3.14Å | |||
| 1494 | V | 24.4 | Very low | 24 | Very low | 122.4 Ų | 122.4 | 143.9 Ų | 143.9 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | trans | 131.6 | 116.1 | 147.1 | 175.1 | 0 | 0 | 0 | 0 | 114.6 | N1492 | N1492-V1494 PolarHBondContact O-N 3.4Š| ||
| 1495 | S | 23 | Very low | 24 | Very low | 102.4 Ų | 102.4 | 145.7 Ų | 145.7 | 72% | 0.716 | 76% | 0.761 | S | S | * | * | trans | -62.5 | 142.6 | 153.7 | 62.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1496 | K | 25.3 | Very low | 23.9 | Very low | 192.2 Ų | 192.2 | 147 Ų | 147 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | -146.5 | 128.6 | 140.7 | -97 | 178.4 | 178.3 | 177 | 0 | 110.7 | ||||
| 1497 | K | 24.3 | Very low | 23.9 | Very low | 184.6 Ų | 184.6 | 145.9 Ų | 145.9 | 80% | 0.803 | 76% | 0.76 | S | S | * | * | trans | 34.9 | 124.9 | 141.3 | -74.6 | -174.4 | 173.3 | -172.1 | 0 | 115.7 | ||||
| 1498 | Q | 24.4 | Very low | 23.8 | Very low | 173.8 Ų | 173.8 | 148.3 Ų | 148.3 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | trans | 105.9 | 118.1 | 134.2 | -85 | 171.9 | -34.8 | 0 | 0 | 113.3 | ||||
| 1499 | Q | 23.5 | Very low | 23.9 | Very low | 185.4 Ų | 185.4 | 150.1 Ų | 150.1 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | -175.8 | 140.1 | 90.9 | -128.3 | -171.6 | -10.6 | 0 | 0 | 109.4 | |||||
| 1500 | P | 28.5 | Very low | 23.7 | Very low | 103.8 Ų | 103.8 | 149.2 Ų | 149.2 | 67% | 0.674 | 77% | 0.765 | S | S | * | * | trans | -110.1 | 175 | -145.7 | 37.1 | -27.6 | 0 | 0 | 0 | 111.6 | ||||
| 1501 | N | 23.8 | Very low | 23.7 | Very low | 143.2 Ų | 143.2 | 148 Ų | 148 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | trans | 141.6 | 140.9 | 154.9 | -86.8 | -14.3 | 0 | 0 | 0 | 115 | ||||
| 1502 | N | 22.8 | Very low | 23.7 | Very low | 132 Ų | 132 | 147 Ų | 147 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | 158.1 | 150.7 | 148.6 | -91 | -17.3 | 0 | 0 | 0 | 115.4 | ||||
| 1503 | I | 23.2 | Very low | 23.6 | Very low | 148.8 Ų | 148.8 | 145.3 Ų | 145.3 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | trans | 78 | 115.8 | 143.2 | -63.3 | 164 | 0 | 0 | 0 | 114.6 | ||||
| 1504 | L | 21.9 | Very low | 23.7 | Very low | 152.4 Ų | 152.4 | 146.6 Ų | 146.6 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | 166 | 133.3 | 94 | -166.5 | 72.7 | 0 | 0 | 0 | 112.2 | |||||
| 1505 | N | 23.1 | Very low | 23.6 | Very low | 132.2 Ų | 132.2 | 145 Ų | 145 | 71% | 0.707 | 76% | 0.755 | S | S | * | * | trans | 144.6 | 144.8 | 169.3 | -77.6 | -30.6 | 0 | 0 | 0 | 113.9 | ||||
| 1506 | Q | 23.4 | Very low | 23.7 | Very low | 167.6 Ų | 167.6 | 146.4 Ų | 146.4 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | 139.7 | 141.4 | 127.9 | -91.4 | 173.7 | 3.7 | 0 | 0 | 114.7 | |||||
| 1507 | M | 23.2 | Very low | 23.7 | Very low | 151.8 Ų | 151.8 | 144.9 Ų | 144.9 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | 159.3 | 150.6 | 120.3 | -77.4 | 173.5 | 179 | 0 | 0 | 114.1 | |||||
| 1508 | N | 23.1 | Very low | 23.7 | Very low | 137 Ų | 137 | 143.5 Ų | 143.5 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | 93.5 | 107.5 | 78.7 | -78.1 | -10 | 0 | 0 | 0 | 116.1 | |||||
| 1509 | Q | 24.5 | Very low | 23.8 | Very low | 170 Ų | 170 | 141.1 Ų | 141.1 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | 117.7 | 121 | 136.6 | -75.4 | 172.5 | 10.9 | 0 | 0 | 113.4 | ||||
| 1510 | T | 22 | Very low | 23.8 | Very low | 115.2 Ų | 115.2 | 139.2 Ų | 139.2 | 71% | 0.707 | 74% | 0.735 | S | S | * | * | 134.2 | 132.6 | 66.5 | 18.3 | 0 | 0 | 0 | 0 | 112.7 | T1512 | T1510-T1512 WeakPolarHBondContact CB-OG1 3.45Š| |||
| 1511 | I | 23.7 | Very low | 23.6 | Very low | 150.2 Ų | 150.2 | 137.8 Ų | 137.8 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | trans | 69.8 | 108.2 | 136.1 | -62.9 | 168.2 | 0 | 0 | 0 | 115.5 | ||||
| 1512 | T | 22.8 | Very low | 23.6 | Very low | 116.2 Ų | 116.2 | 137.9 Ų | 137.9 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | trans | 74 | 130 | 134.1 | -25.1 | 0 | 0 | 0 | 0 | 116.7 | T1510 | T1510-T1512 WeakPolarHBondContact CB-OG1 3.45Š| ||
| 1513 | V | 22.2 | Very low | 23.6 | Very low | 116.2 Ų | 116.2 | 139.1 Ų | 139.1 | 70% | 0.704 | 74% | 0.744 | S | S | * | * | 114.6 | 133 | 116.2 | 170.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1514 | H | 23.6 | Very low | 23.6 | Very low | 181.2 Ų | 181.2 | 138.2 Ų | 138.2 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | trans | -127.7 | 140.9 | 156.5 | -79 | -67.9 | 0 | 0 | 0 | 110.7 | ||||
| 1515 | S | 23.5 | Very low | 23.6 | Very low | 88.4 Ų | 88.4 | 134 Ų | 134 | 62% | 0.618 | 74% | 0.738 | S | S | * | * | 150.4 | 143.5 | 66.3 | 62.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1516 | N | 24.8 | Very low | 23.6 | Very low | 132.6 Ų | 132.6 | 137.4 Ų | 137.4 | 71% | 0.709 | 75% | 0.747 | S | S | * | * | trans | 121.5 | 136.8 | 148.4 | -79 | 23.6 | 0 | 0 | 0 | 116.1 | ||||
| 1517 | E | 25.6 | Very low | 23.6 | Very low | 160.6 Ų | 160.6 | 135.7 Ų | 135.7 | 75% | 0.75 | 74% | 0.743 | S | S | * | * | 90.3 | 129.8 | 124.4 | -82.2 | 164.3 | -148.9 | 0 | 0 | 116.3 | S838 | S838-E1517 CarbonylContact O-C 2.99Š| |||
| 1518 | E | 24 | Very low | 23.5 | Very low | 155.2 Ų | 155.2 | 134.9 Ų | 134.9 | 73% | 0.725 | 74% | 0.742 | S | S | * | * | -168.4 | 136.1 | 79.3 | -94.1 | -168.1 | 168 | 0 | 0 | 112.9 | S838 L839 | S838-E1518 CarbonylContact C-O 3.56Å; S838-E1518 CarbonylContact O-C 3.57Å; S838-E1518 WeakPolarHBondContact O-CA 3.39Å; S838-E1518 PolarHBondContact O-N 3.12Å; S838-E1518 VanDerWaalsContact O-O 3.1Å; L839-E1518 WeakPolarHBondContact CB-O 3.48Å; L839-E1518 WeakPolarHBondContact CG-O 3.49Å; L839-E1518 VanDerWaalsContact N-C 3.27Å; L839-E1518 PolarHBondContact N-O 2.62Å | |||
| 1519 | N | 25.8 | Very low | 23.5 | Very low | 123.2 Ų | 123.2 | 135.9 Ų | 135.9 | 66% | 0.659 | 75% | 0.745 | S | S | * | * | 141.6 | 145.8 | 113.1 | -96.6 | -48.9 | 0 | 0 | 0 | 116.3 | S838 L839 | S838-N1519 PolarHBondContact O-N 3.46Å; S838-N1519 VanDerWaalsContact OG-C 3.28Å; S838-N1519 PolarHBondContact OG-O 3.4Å; L839-N1519 VanDerWaalsContact CA-O 3.27Å; L839-N1519 WeakPolarHBondContact CA-O 3.48Å; L839-N1519 PolarHBondContact N-O 3.5Å | |||
| 1520 | L | 25.3 | Very low | 23.3 | Very low | 146.4 Ų | 146.4 | 133.7 Ų | 133.7 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | trans | 80.6 | 112.4 | 145.7 | -77.6 | 163.2 | 0 | 0 | 0 | 118.2 | L839 K840 I1522 | L839-L1520 HydrophobicContact CD2-CB 4.29Å; L839-L1520 HydrophobicContact CD2-CD1 3.64Å; L839-L1520 HydrophobicContact CD2-CG 3.97Å; K840-L1520 HydrophobicContact CB-CB 4.45Å; K840-L1520 HydrophobicContact CD-CB 3.81Å; K840-L1520 HydrophobicContact CD-CD1 4.18Å; K840-L1520 HydrophobicContact CG-CB 4.28Å; K840-L1520 PolarHBondContact NZ-O 3.08Å; L1520-I1522 HydrophobicContact CD2-CD1 4.25Å; L1520-I1522 HydrophobicContact CD2-CG1 4.23Å | ||
| 1521 | G | 23.5 | Very low | 23.4 | Very low | 73.2 Ų | 73.2 | 135.5 Ų | 135.5 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | 168.6 | 58.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | L1523 | G1521-L1523 PolarHBondContact O-N 3.18Š| ||
| 1522 | I | 22.7 | Very low | 23.4 | Very low | 145.4 Ų | 145.4 | 133.7 Ų | 133.7 | 75% | 0.746 | 75% | 0.746 | S | S | * | * | trans | -19.8 | 124.2 | 155.8 | -59.2 | 169.2 | 0 | 0 | 0 | 113.4 | L1520 V1524 | L1520-I1522 HydrophobicContact CD2-CD1 4.25Å; L1520-I1522 HydrophobicContact CD2-CG1 4.23Å; I1522-V1524 HydrophobicContact CG2-CG2 4.28Å | ||
| 1523 | L | 23.6 | Very low | 23.4 | Very low | 158.2 Ų | 158.2 | 134.5 Ų | 134.5 | 83% | 0.828 | 75% | 0.751 | S | S | * | * | -177.1 | 132.9 | 118.9 | -122 | 106.2 | 0 | 0 | 0 | 112.5 | G1521 | G1521-L1523 PolarHBondContact O-N 3.18Š| |||
| 1524 | V | 23.5 | Very low | 23.3 | Very low | 129.4 Ų | 129.4 | 132.1 Ų | 132.1 | 78% | 0.784 | 75% | 0.749 | S | S | * | * | trans | 54 | 124.1 | 140.3 | 174.7 | 0 | 0 | 0 | 0 | 115 | I1522 F1526 | I1522-V1524 HydrophobicContact CG2-CG2 4.28Å; V1524-F1526 HydrophobicContact CG1-CD2 4.39Å | ||
| 1525 | G | 22.4 | Very low | 23.3 | Very low | 63.2 Ų | 63.2 | 128.6 Ų | 128.6 | 65% | 0.652 | 75% | 0.745 | S | S | * | * | trans | 119.5 | 134.4 | 134.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1526 | F | 22.3 | Very low | 23.4 | Very low | 204.4 Ų | 204.4 | 132.6 Ų | 132.6 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | trans | -169.8 | 137.4 | 143.2 | -93.7 | -79.6 | 0 | 0 | 0 | 115 | V1524 | V1524-F1526 HydrophobicContact CG1-CD2 4.39Š| ||
| 1527 | D | 22.6 | Very low | 23.3 | Very low | 132.6 Ų | 132.6 | 134.2 Ų | 134.2 | 71% | 0.709 | 76% | 0.762 | S | S | * | * | trans | -44.7 | 134 | 165.6 | -74.4 | -47 | 0 | 0 | 0 | 116.6 | ||||
| 1528 | N | 22.1 | Very low | 23.2 | Very low | 134.8 Ų | 134.8 | 133.3 Ų | 133.3 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | trans | 60.3 | 106.3 | 140.5 | -62.9 | -42.5 | 0 | 0 | 0 | 119.8 | ||||
| 1529 | I | 22.8 | Very low | 23.2 | Very low | 157.2 Ų | 157.2 | 132.4 Ų | 132.4 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | trans | -174.2 | 127.3 | 131.8 | -66.8 | 168.9 | 0 | 0 | 0 | 111.4 | ||||
| 1530 | T | 21 | Very low | 23.1 | Very low | 124.8 Ų | 124.8 | 134.5 Ų | 134.5 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | trans | -48 | 128 | 154.9 | -6.8 | 0 | 0 | 0 | 0 | 114.7 | P1532 | T1530-P1532 WeakPolarHBondContact O-CD 3.4Å; T1530-P1532 VanDerWaalsContact O-N 3.16Å | ||
| 1531 | I | 22.9 | Very low | 22.9 | Very low | 151.2 Ų | 151.2 | 131.9 Ų | 131.9 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | -72 | 126.6 | 165.3 | -60.6 | 164.9 | 0 | 0 | 0 | 108.8 | T1533 | I1531-T1533 HydrophobicContact CG2-CG2 4.06Å; I1531-T1533 PolarHBondContact O-N 3.32Å; I1531-T1533 VanDerWaalsContact O-N 3.14Å | ||
| 1532 | P | 23.8 | Very low | 22.9 | Very low | 114.2 Ų | 114.2 | 134.1 Ų | 134.1 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | -94.1 | 116.7 | 162.3 | 19.1 | -7.6 | 0 | 0 | 0 | 110.6 | T1530 G1534 | T1530-P1532 WeakPolarHBondContact O-CD 3.4Å; T1530-P1532 VanDerWaalsContact O-N 3.16Å; P1532-G1534 VanDerWaalsContact C-N 3.34Å; P1532-G1534 PolarHBondContact O-N 3.16Å; P1532-G1534 VanDerWaalsContact O-N 3.1Å | ||
| 1533 | T | 22.6 | Very low | 23 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | trans | -70.5 | 120.9 | 163.7 | 44 | 0 | 0 | 0 | 0 | 111.4 | I1531 | I1531-T1533 HydrophobicContact CG2-CG2 4.06Å; I1531-T1533 PolarHBondContact O-N 3.32Å; I1531-T1533 VanDerWaalsContact O-N 3.14Å | ||
| 1534 | G | 21.9 | Very low | 22.9 | Very low | 65.2 Ų | 65.2 | 136.9 Ų | 136.9 | 67% | 0.672 | 77% | 0.766 | S | S | * | * | trans | 153.3 | 112 | 160.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | P1532 | P1532-G1534 VanDerWaalsContact C-N 3.34Å; P1532-G1534 PolarHBondContact O-N 3.16Å; P1532-G1534 VanDerWaalsContact O-N 3.1Å | ||
| 1535 | S | 23.5 | Very low | 23 | Very low | 106.8 Ų | 106.8 | 137.1 Ų | 137.1 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | trans | -99.3 | 136.9 | 134.7 | 47.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1536 | E | 24.6 | Very low | 23.1 | Very low | 173 Ų | 173 | 140.6 Ų | 140.6 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | -146.7 | 139.2 | 126.5 | -86 | 144.2 | -174.2 | 0 | 0 | 112.8 | L1538 | E1536-L1538 HydrophobicContact CG-CD1 4.28Å; E1536-L1538 PolarHBondContact O-N 3.4Å | |||
| 1537 | L | 22.7 | Very low | 23.3 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | -103.8 | 135.1 | 162.8 | -119.6 | 119.4 | 0 | 0 | 0 | 107.5 | ||||
| 1538 | L | 23.8 | Very low | 23.4 | Very low | 140.4 Ų | 140.4 | 138.9 Ų | 138.9 | 74% | 0.735 | 77% | 0.765 | S | S | * | * | trans | -148 | 142 | 177.9 | -109.3 | 120.8 | 0 | 0 | 0 | 110.7 | E1536 | E1536-L1538 HydrophobicContact CG-CD1 4.28Å; E1536-L1538 PolarHBondContact O-N 3.4Å | ||
| 1539 | D | 23.3 | Very low | 23.6 | Very low | 135.8 Ų | 135.8 | 137.4 Ų | 137.4 | 73% | 0.726 | 77% | 0.765 | S | S | * | * | trans | -32.5 | 128.1 | 159.7 | -113.8 | -26.8 | 0 | 0 | 0 | 115.6 | S1541 | D1539-S1541 PolarHBondContact O-N 3.39Å; D1539-S1541 VanDerWaalsContact O-N 3.16Å; D1539-S1541 VanDerWaalsContact OD1-CB 3.31Å; D1539-S1541 WeakPolarHBondContact OD1-CB 3.42Å; D1539-S1541 PolarHBondContact OD1-N 3.13Å | ||
| 1540 | L | 23.9 | Very low | 23.8 | Very low | 167.6 Ų | 167.6 | 138 Ų | 138 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | trans | -125.5 | 78 | 162.1 | -100.3 | 159.5 | 0 | 0 | 0 | 113.1 | T1542 | L1540-T1542 VanDerWaalsContact C-N 3.34Å; L1540-T1542 PolarHBondContact O-N 3.02Å | ||
| 1541 | S | 21.5 | Very low | 24.1 | Very low | 91.8 Ų | 91.8 | 140.5 Ų | 140.5 | 64% | 0.642 | 77% | 0.765 | S | S | * | * | trans | -114 | 130.6 | 161.8 | 63.3 | 0 | 0 | 0 | 0 | 112.6 | D1539 | D1539-S1541 PolarHBondContact O-N 3.39Å; D1539-S1541 VanDerWaalsContact O-N 3.16Å; D1539-S1541 VanDerWaalsContact OD1-CB 3.31Å; D1539-S1541 WeakPolarHBondContact OD1-CB 3.42Å; D1539-S1541 PolarHBondContact OD1-N 3.13Å | ||
| 1542 | T | 23.9 | Very low | 24.3 | Very low | 119.4 Ų | 119.4 | 139.5 Ų | 139.5 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | 157.3 | 130.9 | 143.8 | 51.3 | 0 | 0 | 0 | 0 | 114.2 | L1540 | L1540-T1542 VanDerWaalsContact C-N 3.34Å; L1540-T1542 PolarHBondContact O-N 3.02Å | ||
| 1543 | Y | 23.4 | Very low | 24.4 | Very low | 218 Ų | 218 | 141.6 Ų | 141.6 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | trans | 108.8 | 109.4 | 145.4 | -119 | -88 | 0 | 0 | 0 | 116.7 | D1545 | Y1543-D1545 HydrophobicContact CD1-CB 4.49Å; Y1543-D1545 HydrophobicContact CE1-CB 4.05Å | ||
| 1544 | I | 23.5 | Very low | 24.5 | Very low | 144.2 Ų | 144.2 | 142.4 Ų | 142.4 | 74% | 0.739 | 76% | 0.76 | S | S | * | * | trans | -133.4 | 123 | 161.4 | -63.5 | 174.8 | 0 | 0 | 0 | 109.2 | ||||
| 1545 | D | 23.8 | Very low | 24.6 | Very low | 135.2 Ų | 135.2 | 144.7 Ų | 144.7 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | trans | 175.7 | 148.3 | 145 | -113.7 | -18.6 | 0 | 0 | 0 | 114 | Y1543 | Y1543-D1545 HydrophobicContact CD1-CB 4.49Å; Y1543-D1545 HydrophobicContact CE1-CB 4.05Å | ||
| 1546 | D | 25.2 | Very low | 24.6 | Very low | 136.6 Ų | 136.6 | 146.1 Ų | 146.1 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | trans | 137.7 | 132.7 | 150.8 | -96.5 | -25.9 | 0 | 0 | 0 | 116.8 | ||||
| 1547 | T | 26 | Very low | 24.5 | Very low | 119.6 Ų | 119.6 | 145.2 Ų | 145.2 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | -156.1 | 136.4 | 145.5 | 43 | 0 | 0 | 0 | 0 | 116.6 | S1549 | T1547-S1549 PolarHBondContact O-N 3Š| ||
| 1548 | Q | 25.5 | Very low | 24.6 | Very low | 180.2 Ų | 180.2 | 142.3 Ų | 142.3 | 84% | 0.842 | 76% | 0.763 | S | S | * | * | trans | 13.6 | 138 | 146.7 | -71.1 | 173.5 | 18.3 | 0 | 0 | 117.1 | ||||
| 1549 | S | 26.9 | Very low | 24.6 | Very low | 104.6 Ų | 104.6 | 142.4 Ų | 142.4 | 73% | 0.731 | 76% | 0.764 | S | S | * | * | trans | 174.1 | 137.9 | 134.6 | 71.3 | 0 | 0 | 0 | 0 | 114.9 | T1547 H1551 | T1547-S1549 PolarHBondContact O-N 3Å; S1549-H1551 PolarHBondContact O-N 3.31Å | ||
| 1550 | K | 25.9 | Very low | 24.8 | Very low | 170.4 Ų | 170.4 | 140.5 Ų | 140.5 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | trans | 47.3 | 132.7 | 157.4 | -71 | 176.8 | 178.1 | -178.5 | 0 | 112.8 | ||||
| 1551 | H | 27.4 | Very low | 24.8 | Very low | 176.2 Ų | 176.2 | 139.4 Ų | 139.4 | 82% | 0.816 | 75% | 0.754 | S | S | * | * | -167.8 | 130.8 | 127.4 | -82.9 | -72.2 | 0 | 0 | 0 | 111.4 | S1549 | S1549-H1551 PolarHBondContact O-N 3.31Š| |||
| 1552 | D | 27.8 | Very low | 24.9 | Very low | 131.2 Ų | 131.2 | 142.7 Ų | 142.7 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | trans | -104.6 | 153.9 | 140.5 | -77.7 | -52.5 | 0 | 0 | 0 | 112.8 | ||||
| 1553 | E | 24.9 | Very low | 24.9 | Very low | 157.8 Ų | 157.8 | 141.9 Ų | 141.9 | 74% | 0.737 | 76% | 0.763 | S | S | * | * | trans | -32.7 | 127.5 | 149.8 | -66.3 | 176.9 | 165.4 | 0 | 0 | 116.2 | ||||
| 1554 | N | 25.2 | Very low | 24.9 | Very low | 150.2 Ų | 150.2 | 136.9 Ų | 136.9 | 80% | 0.803 | 76% | 0.759 | S | S | * | * | trans | 120.3 | 100.6 | 137.1 | -71.2 | -54.3 | 0 | 0 | 0 | 117.1 | ||||
| 1555 | S | 23.3 | Very low | 24.9 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | 170.2 | 124.3 | 147.4 | 66.2 | 0 | 0 | 0 | 0 | 114.6 | I1557 | S1555-I1557 PolarHBondContact O-N 3.06Š| ||
| 1556 | T | 24.6 | Very low | 24.9 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | -109.4 | 147.6 | 144.7 | 32.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1557 | I | 22.3 | Very low | 24.8 | Very low | 155.8 Ų | 155.8 | 136.8 Ų | 136.8 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | trans | -63.2 | 139.6 | 173.6 | -58.4 | 161.6 | 0 | 0 | 0 | 111.9 | S1555 | S1555-I1557 PolarHBondContact O-N 3.06Š| ||
| 1558 | S | 23.5 | Very low | 24.7 | Very low | 105.2 Ų | 105.2 | 135.6 Ų | 135.6 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | 165.5 | 104.5 | 156.3 | -63.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1559 | D | 24.3 | Very low | 24.7 | Very low | 143.2 Ų | 143.2 | 133.1 Ų | 133.1 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | 149.1 | 137.1 | 131.6 | -108.1 | -20.7 | 0 | 0 | 0 | 116.5 | N1561 L1562 | D1559-N1561 VanDerWaalsContact C-N 3.31Å; D1559-N1561 VanDerWaalsContact O-CA 3.32Å; D1559-N1561 WeakPolarHBondContact O-CA 3.18Å; D1559-N1561 PolarHBondContact O-N 3.07Å; D1559-L1562 HydrophobicContact CB-CB 3.79Å; D1559-L1562 PolarHBondContact O-N 2.85Å; D1559-L1562 VanDerWaalsContact O-N 3.07Å | ||
| 1560 | P | 27.1 | Very low | 24.5 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 62% | 0.623 | 75% | 0.754 | S | S | * | * | trans | -104.5 | 159.1 | -170.6 | 27.8 | -16.9 | 0 | 0 | 0 | 113.9 | ||||
| 1561 | N | 24.1 | Very low | 24.4 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | 131.6 | 91.7 | 167 | -62.8 | -42.6 | 0 | 0 | 0 | 116.4 | D1559 S1563 | D1559-N1561 VanDerWaalsContact C-N 3.31Å; D1559-N1561 VanDerWaalsContact O-CA 3.32Å; D1559-N1561 WeakPolarHBondContact O-CA 3.18Å; D1559-N1561 PolarHBondContact O-N 3.07Å; N1561-S1563 PolarHBondContact O-N 3.25Å | ||
| 1562 | L | 24.1 | Very low | 24.4 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | trans | -119.8 | 83.5 | 152.6 | -107 | 159 | 0 | 0 | 0 | 111.8 | D1559 C1564 | D1559-L1562 HydrophobicContact CB-CB 3.79Å; D1559-L1562 PolarHBondContact O-N 2.85Å; D1559-L1562 VanDerWaalsContact O-N 3.07Å; L1562-C1564 VanDerWaalsContact C-N 3.26Å; L1562-C1564 PolarHBondContact O-N 3.48Å | ||
| 1563 | S | 24.5 | Very low | 24.5 | Very low | 103.2 Ų | 103.2 | 137.4 Ų | 137.4 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | -75.4 | 115.5 | 165.9 | 57.5 | 0 | 0 | 0 | 0 | 113.1 | N1561 | N1561-S1563 PolarHBondContact O-N 3.25Š| ||
| 1564 | C | 22.1 | Very low | 25 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | trans | -67.1 | 123.8 | 157.7 | -74.8 | 0 | 0 | 0 | 0 | 114.1 | L1562 N1566 | L1562-C1564 VanDerWaalsContact C-N 3.26Å; L1562-C1564 PolarHBondContact O-N 3.48Å; C1564-N1566 VanDerWaalsContact C-N 3.29Å; C1564-N1566 PolarHBondContact O-N 2.81Å; C1564-N1566 VanDerWaalsContact O-N 3.09Å | ||
| 1565 | I | 24.4 | Very low | 25.8 | Very low | 155.8 Ų | 155.8 | 133.9 Ų | 133.9 | 80% | 0.799 | 74% | 0.742 | S | S | * | * | trans | -57.3 | 108.8 | 134.6 | -56.5 | 175.6 | 0 | 0 | 0 | 109.4 | V1567 | I1565-V1567 HydrophobicContact CG2-CG2 4.21Å; I1565-V1567 PolarHBondContact O-N 3.02Å | ||
| 1566 | N | 22.9 | Very low | 27 | Very low | 135.2 Ų | 135.2 | 130.3 Ų | 130.3 | 72% | 0.723 | 71% | 0.714 | S | S | * | * | trans | -121.9 | 115.2 | 158.8 | -86.4 | -8.3 | 0 | 0 | 0 | 110.3 | C1564 S1568 D1569 | C1564-N1566 VanDerWaalsContact C-N 3.29Å; C1564-N1566 PolarHBondContact O-N 2.81Å; C1564-N1566 VanDerWaalsContact O-N 3.09Å; N1566-S1568 PolarHBondContact O-N 3.27Å; N1566-S1568 VanDerWaalsContact O-N 3.11Å; N1566-D1569 PolarHBondContact ND2-OD2 3.38Å; N1566-D1569 PolarHBondContact OD1-OD2 2.83Å | ||
| 1567 | V | 24.3 | Very low | 28.4 | Very low | 123.6 Ų | 123.6 | 125.6 Ų | 125.6 | 75% | 0.749 | 68% | 0.683 | S | S | * | * | trans | -102.1 | 93.6 | 160.2 | 179.5 | 0 | 0 | 0 | 0 | 108.1 | I1565 D1569 H1570 F1571 | I1565-V1567 HydrophobicContact CG2-CG2 4.21Å; I1565-V1567 PolarHBondContact O-N 3.02Å; V1567-D1569 PolarHBondContact O-N 2.96Å; V1567-D1569 VanDerWaalsContact O-N 3.14Å; V1567-H1570 PolarHBondContact O-N 3.37Å; V1567-F1571 HydrophobicContact CG1-CD2 4.06Å; V1567-F1571 HydrophobicContact CG1-CE2 4.41Å; V1567-F1571 PolarHBondContact O-N 3.36Å | ||
| 1568 | S | 23.8 | Very low | 30.2 | Very low | 93 Ų | 93 | 124.1 Ų | 124.1 | 65% | 0.65 | 67% | 0.671 | S | S | * | * | trans | -104.2 | 110.7 | 170.1 | 17.2 | 0 | 0 | 0 | 0 | 110.2 | N1566 H1570 | N1566-S1568 PolarHBondContact O-N 3.27Å; N1566-S1568 VanDerWaalsContact O-N 3.11Å; S1568-H1570 PolarHBondContact O-N 3.43Å | ||
| 1569 | D | 24.3 | Very low | 32 | Very low | 128.8 Ų | 128.8 | 119.4 Ų | 119.4 | 69% | 0.689 | 64% | 0.638 | S | S | * | * | trans | 170.6 | 74.2 | 156.1 | -64 | -21.5 | 0 | 0 | 0 | 114.1 | N1566 V1567 F1571 | N1566-D1569 PolarHBondContact ND2-OD2 3.38Å; N1566-D1569 PolarHBondContact OD1-OD2 2.83Å; V1567-D1569 PolarHBondContact O-N 2.96Å; V1567-D1569 VanDerWaalsContact O-N 3.14Å; D1569-F1571 VanDerWaalsContact C-N 3.31Å; D1569-F1571 PolarHBondContact O-N 3.04Å; D1569-F1571 VanDerWaalsContact O-N 3.14Å | ||
| 1570 | H | 24.1 | Very low | 33.7 | Very low | 171.6 Ų | 171.6 | 116.3 Ų | 116.3 | 79% | 0.794 | 62% | 0.621 | S | S | * | * | trans | -94.3 | 55.8 | 170.8 | -78.3 | -23.7 | 0 | 0 | 0 | 114 | V1567 S1568 E1572 | V1567-H1570 PolarHBondContact O-N 3.37Å; S1568-H1570 PolarHBondContact O-N 3.43Å; H1570-E1572 VanDerWaalsContact C-N 3.33Å; H1570-E1572 PolarHBondContact O-N 3.3Å; H1570-E1572 VanDerWaalsContact O-N 3.11Å | ||
| 1571 | F | 24.2 | Very low | 35.2 | Very low | 181.6 Ų | 181.6 | 112.8 Ų | 112.8 | 80% | 0.796 | 60% | 0.599 | S | S | * | * | trans | -116.8 | 60.8 | 155.3 | -91 | -77.1 | 0 | 0 | 0 | 111.3 | V1567 D1569 L1573 | V1567-F1571 HydrophobicContact CG1-CD2 4.06Å; V1567-F1571 HydrophobicContact CG1-CE2 4.41Å; V1567-F1571 PolarHBondContact O-N 3.36Å; D1569-F1571 VanDerWaalsContact C-N 3.31Å; D1569-F1571 PolarHBondContact O-N 3.04Å; D1569-F1571 VanDerWaalsContact O-N 3.14Å; F1571-L1573 HydrophobicContact CD1-CB 4.4Å; F1571-L1573 HydrophobicContact CD1-CD1 4.21Å; F1571-L1573 HydrophobicContact CE1-CD1 3.85Å; F1571-L1573 PolarHBondContact O-N 3.32Å; F1571-L1573 VanDerWaalsContact O-N 3.11Å | ||
| 1572 | E | 26.7 | Very low | 36.8 | Very low | 177.2 Ų | 177.2 | 109.4 Ų | 109.4 | 83% | 0.828 | 59% | 0.587 | S | S | * | * | trans | -80.7 | 92.7 | 157.7 | -69.3 | -168.9 | 147.9 | 0 | 0 | 109.6 | H1570 E1574 | H1570-E1572 VanDerWaalsContact C-N 3.33Å; H1570-E1572 PolarHBondContact O-N 3.3Å; H1570-E1572 VanDerWaalsContact O-N 3.11Å; E1572-E1574 PolarHBondContact O-N 3.28Å; E1572-E1574 VanDerWaalsContact O-N 3.16Å | ||
| 1573 | L | 30.1 | Very low | 38.6 | Very low | 142 Ų | 142 | 102.6 Ų | 102.6 | 74% | 0.743 | 55% | 0.551 | S | S | * | * | trans | -69.6 | 91.6 | 174.1 | -86 | 130.6 | 0 | 0 | 0 | 110.7 | F1571 N1575 | F1571-L1573 HydrophobicContact CD1-CB 4.4Å; F1571-L1573 HydrophobicContact CD1-CD1 4.21Å; F1571-L1573 HydrophobicContact CE1-CD1 3.85Å; F1571-L1573 PolarHBondContact O-N 3.32Å; F1571-L1573 VanDerWaalsContact O-N 3.11Å; L1573-N1575 PolarHBondContact O-N 2.78Å; L1573-N1575 VanDerWaalsContact O-N 3.1Å; L1573-N1575 PolarHBondContact O-ND2 3.01Å | ||
| 1574 | E | 35.4 | Very low | 40.6 | Very low | 132.2 Ų | 132.2 | 97.7 Ų | 97.7 | 62% | 0.618 | 52% | 0.517 | S | S | * | . | trans | -50 | 92.5 | 172.7 | -70.6 | -168.1 | 130.4 | 0 | 0 | 111.5 | E1572 D1576 S1641 | E1572-E1574 PolarHBondContact O-N 3.28Å; E1572-E1574 VanDerWaalsContact O-N 3.16Å; E1574-D1576 VanDerWaalsContact C-N 3.26Å; E1574-D1576 HydrophobicContact CB-CB 4.5Å; E1574-D1576 PolarHBondContact O-N 3.13Å; E1574-S1641 WeakPolarHBondContact OE1-CB 3.07Å; E1574-S1641 PolarHBondContact OE1-OG 2.72Å; E1574-S1641 PolarHBondContact OE2-OG 2.94Å | ||
| 1575 | N | 42.7 | Very low | 42.7 | Very low | 103 Ų | 103 | 94.7 Ų | 94.7 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | trans | -85.5 | 69.1 | -174.9 | -78.4 | -41.1 | 0 | 0 | 0 | 111.3 | L1573 L1577 N1640 S1641 I1644 K1673 | L1573-N1575 PolarHBondContact O-N 2.78Å; L1573-N1575 VanDerWaalsContact O-N 3.1Å; L1573-N1575 PolarHBondContact O-ND2 3.01Å; N1575-L1577 PolarHBondContact O-N 3.23Å; N1575-L1577 VanDerWaalsContact O-N 3.1Å; N1575-N1640 CarbonylContact O-C 3.44Å; N1575-S1641 WeakPolarHBondContact O-CA 3.18Å; N1575-S1641 PolarHBondContact O-N 2.91Å; N1575-I1644 WeakPolarHBondContact O-CD1 3.21Å; N1575-K1673 PolarHBondContact OD1-NZ 3.3Å; N1575-K1673 VanDerWaalsContact OD1-NZ 3.09Å | ||
| 1576 | D | 46.6 | Very low | 44.4 | Very low | 36.2 Ų | 36.2 | 89 Ų | 89 | 19% | 0.194 | 47% | 0.473 | C | S | . | . | trans | -74.9 | 113 | 175.8 | -78.3 | -39.4 | 0 | 0 | 0 | 111.2 | E1574 F1578 R1638 L1639 N1640 K1673 | E1574-D1576 VanDerWaalsContact C-N 3.26Å; E1574-D1576 HydrophobicContact CB-CB 4.5Å; E1574-D1576 PolarHBondContact O-N 3.13Å; D1576-F1578 HydrophobicContact CB-CE2 4.36Å; D1576-R1638 HydrophobicContact CB-CG 4.15Å; D1576-R1638 VanDerWaalsContact OD1-CG 3.23Å; D1576-R1638 WeakPolarHBondContact OD1-CG 3.24Å; D1576-R1638 IonicContact OD1-CZ 3.64Å; D1576-R1638 IonicContact OD1-NE 3.29Å; D1576-R1638 PolarHBondContact OD1-NE 3.32Å; D1576-R1638 VanDerWaalsContact OD1-NE 3.11Å; D1576-R1638 IonicContact OD1-NH2 2.98Å; D1576-R1638 IonicContact OD2-CZ 3.1Å; D1576-R1638 VanDerWaalsContact OD2-CZ 3.28Å; D1576-R1638 IonicContact OD2-NE 3.27Å; D1576-R1638 PolarHBondContact OD2-NE 3.12Å; D1576-R1638 VanDerWaalsContact OD2-NE 3.12Å; D1576-R1638 IonicContact OD2-NH2 3.16Å; D1576-R1638 PolarHBondContact OD2-NH2 3.27Å; D1576-L1639 CarbonylContact C-O 3.57Å; D1576-L1639 VanDerWaalsContact CA-O 3.26Å; D1576-L1639 WeakPolarHBondContact CA-O 3.28Å; D1576-N1640 VanDerWaalsContact OD1-CA 3.26Å; D1576-N1640 WeakPolarHBondContact OD1-CA 3.45Å; D1576-N1640 WeakPolarHBondContact OD1-CB 3.39Å; D1576-K1673 PolarHBondContact O-NZ 2.91Å | ||
| 1577 | L | 55.4 | Low | 46.7 | Very low | 37.8 Ų | 37.8 | 82.8 Ų | 82.8 | 20% | 0.198 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 120.4 | 177.5 | -175.9 | 72.5 | 0 | 0 | 0 | 109.4 | N1575 V1579 L1639 I1644 L1666 C1669 L1670 K1673 | N1575-L1577 PolarHBondContact O-N 3.23Å; N1575-L1577 VanDerWaalsContact O-N 3.1Å; L1577-V1579 HydrophobicContact CB-CG2 4.43Å; L1577-V1579 HydrophobicContact CD2-CG2 3.58Å; L1577-V1579 VanDerWaalsContact CD2-CG2 3.47Å; L1577-V1579 HydrophobicContact CG-CG2 3.76Å; L1577-V1579 PolarHBondContact O-N 3.08Å; L1577-L1639 HydrophobicContact CB-CB 4.46Å; L1577-L1639 PolarHBondContact N-O 3.23Å; L1577-L1639 WeakPolarHBondContact O-CB 3.49Å; L1577-L1639 PolarHBondContact O-N 3.1Å; L1577-I1644 HydrophobicContact CB-CD1 3.7Å; L1577-I1644 HydrophobicContact CB-CG1 4.05Å; L1577-I1644 HydrophobicContact CD2-CD1 4.36Å; L1577-L1666 HydrophobicContact CD2-CD1 4.1Å; L1577-C1669 HydrophobicContact CD1-CB 4.22Å; L1577-C1669 WeakPolarHBondContact CD1-O 3.32Å; L1577-C1669 HydrophobicContact CD2-CB 4.15Å; L1577-L1670 HydrophobicContact CD1-CD2 4.38Å; L1577-L1670 HydrophobicContact CD2-CD2 3.83Å; L1577-L1670 HydrophobicContact CD2-CG 4.04Å; L1577-K1673 HydrophobicContact CD1-CD 4.06Å; L1577-K1673 HydrophobicContact CD1-CG 4.4Å |
| 1578 | F | 59.8 | Low | 49 | Very low | 123 Ų | 123 | 77.4 Ų | 77.4 | 54% | 0.539 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 114.7 | 171.2 | -72.4 | -88.9 | 0 | 0 | 0 | 109.3 | D1576 P1636 V1637 R1638 | D1576-F1578 HydrophobicContact CB-CE2 4.36Å; F1578-P1636 HydrophobicContact CB-CB 4.16Å; F1578-P1636 HydrophobicContact CB-CG 4.33Å; F1578-P1636 HydrophobicContact CD1-CG 4.39Å; F1578-V1637 CarbonylContact C-O 3.56Å; F1578-V1637 WeakPolarHBondContact CA-O 3.34Å; F1578-R1638 HydrophobicContact CD1-CB 4.18Å; F1578-R1638 HydrophobicContact CD1-CG 4.38Å; F1578-R1638 HydrophobicContact CE1-CB 3.78Å; F1578-R1638 HydrophobicContact CE1-CG 4.07Å; F1578-R1638 HydrophobicContact CE2-CG 4.25Å; F1578-R1638 HydrophobicContact CZ-CB 4.25Å; F1578-R1638 HydrophobicContact CZ-CG 4.02Å |
| 1579 | V | 60.9 | Low | 51.1 | Low | 8 Ų | 8 | 76.5 Ų | 76.5 | 5% | 0.048 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 129.5 | -176.9 | 177.2 | 0 | 0 | 0 | 0 | 110 | L1577 M1583 I1584 I1587 P1636 V1637 L1639 L1666 | L1577-V1579 HydrophobicContact CB-CG2 4.43Å; L1577-V1579 HydrophobicContact CD2-CG2 3.58Å; L1577-V1579 VanDerWaalsContact CD2-CG2 3.47Å; L1577-V1579 HydrophobicContact CG-CG2 3.76Å; L1577-V1579 PolarHBondContact O-N 3.08Å; V1579-M1583 HydrophobicContact CG1-CB 3.78Å; V1579-M1583 VanDerWaalsContact CG1-CB 3.43Å; V1579-M1583 HydrophobicContact CG1-CE 4.04Å; V1579-M1583 HydrophobicContact CG1-CG 4.14Å; V1579-M1583 HydrophobicContact CG1-SD 3.74Å; V1579-I1584 HydrophobicContact CB-CD1 4.01Å; V1579-I1584 HydrophobicContact CB-CG1 4.47Å; V1579-I1584 HydrophobicContact CG1-CD1 3.75Å; V1579-I1584 HydrophobicContact CG1-CG1 4.27Å; V1579-I1587 HydrophobicContact CG1-CD1 4.33Å; V1579-P1636 CarbonylContact O-C 3.41Å; V1579-P1636 VanDerWaalsContact O-CA 3.31Å; V1579-P1636 WeakPolarHBondContact O-CA 3.4Å; V1579-V1637 PolarHBondContact N-O 3.2Å; V1579-V1637 PolarHBondContact O-N 3.18Å; V1579-L1639 HydrophobicContact CB-CD1 4.22Å; V1579-L1639 HydrophobicContact CB-CG 4.34Å; V1579-L1639 HydrophobicContact CG2-CD1 3.6Å; V1579-L1639 VanDerWaalsContact CG2-CD1 3.49Å; V1579-L1639 HydrophobicContact CG2-CG 4.05Å; V1579-L1666 HydrophobicContact CG2-CD1 4.2Å |
| 1580 | D | 59.3 | Low | 53.5 | Low | 76.4 Ų | 76.4 | 70.8 Ų | 70.8 | 41% | 0.409 | 37% | 0.369 | S | S | . | . | trans | -60.7 | 143.2 | -178.3 | -133.9 | 10.7 | 0 | 0 | 0 | 112.5 | S1582 M1583 I1584 | D1580-S1582 PolarHBondContact O-N 3.18Å; D1580-S1582 VanDerWaalsContact O-N 3.11Å; D1580-S1582 VanDerWaalsContact OD2-CB 3.25Å; D1580-S1582 WeakPolarHBondContact OD2-CB 3.19Å; D1580-S1582 PolarHBondContact OD2-N 3.49Å; D1580-S1582 PolarHBondContact OD2-OG 3.2Å; D1580-M1583 WeakPolarHBondContact O-CB 3.37Å; D1580-M1583 PolarHBondContact O-N 3.22Å; D1580-I1584 PolarHBondContact O-N 3.11Å | ||
| 1581 | S | 59.3 | Low | 55.7 | Low | 23 Ų | 23 | 62.7 Ų | 62.7 | 16% | 0.161 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55.5 | -31.5 | -178.8 | 62.4 | 0 | 0 | 0 | 0 | 113.6 | M1583 I1584 A1585 L1629 S1633 | S1581-M1583 VanDerWaalsContact C-N 3.3Å; S1581-M1583 PolarHBondContact O-N 3.02Å; S1581-I1584 WeakPolarHBondContact O-CB 3.38Å; S1581-I1584 PolarHBondContact O-N 3.13Å; S1581-I1584 VanDerWaalsContact O-N 3.15Å; S1581-A1585 PolarHBondContact O-N 3.3Å; S1581-A1585 VanDerWaalsContact O-N 3.16Å; S1581-L1629 VanDerWaalsContact CB-CD2 3.45Å; S1581-S1633 WeakPolarHBondContact CB-O 3.44Å; S1581-S1633 PolarHBondContact OG-O 3.31Å |
| 1582 | S | 58.6 | Low | 58 | Low | 72.8 Ų | 72.8 | 59.2 Ų | 59.2 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.5 | -29.8 | 174.6 | 61.3 | 0 | 0 | 0 | 0 | 113.8 | D1580 P1586 | D1580-S1582 PolarHBondContact O-N 3.18Å; D1580-S1582 VanDerWaalsContact O-N 3.11Å; D1580-S1582 VanDerWaalsContact OD2-CB 3.25Å; D1580-S1582 WeakPolarHBondContact OD2-CB 3.19Å; D1580-S1582 PolarHBondContact OD2-N 3.49Å; D1580-S1582 PolarHBondContact OD2-OG 3.2Å; S1582-P1586 VanDerWaalsContact O-CD 3.23Å; S1582-P1586 WeakPolarHBondContact O-CD 3.41Å; S1582-P1586 WeakPolarHBondContact O-CG 3.35Å |
| 1583 | M | 60.9 | Low | 59.9 | Low | 18.6 Ų | 18.6 | 52.9 Ų | 52.9 | 9% | 0.092 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -87.4 | -27.5 | 176.8 | -140.5 | -142.6 | 152.1 | 0 | 0 | 112.4 | V1579 D1580 S1581 A1585 P1586 I1587 I1661 L1662 K1664 Q1665 L1666 L1668 C1669 | V1579-M1583 HydrophobicContact CG1-CB 3.78Å; V1579-M1583 VanDerWaalsContact CG1-CB 3.43Å; V1579-M1583 HydrophobicContact CG1-CE 4.04Å; V1579-M1583 HydrophobicContact CG1-CG 4.14Å; V1579-M1583 HydrophobicContact CG1-SD 3.74Å; D1580-M1583 WeakPolarHBondContact O-CB 3.37Å; D1580-M1583 PolarHBondContact O-N 3.22Å; S1581-M1583 VanDerWaalsContact C-N 3.3Å; S1581-M1583 PolarHBondContact O-N 3.02Å; M1583-A1585 PolarHBondContact O-N 3.46Å; M1583-P1586 VanDerWaalsContact O-CD 3.27Å; M1583-P1586 WeakPolarHBondContact O-CD 3.41Å; M1583-I1587 HydrophobicContact CB-CD1 4.47Å; M1583-I1587 HydrophobicContact CE-CD1 4.01Å; M1583-I1587 HydrophobicContact CE-CG1 4.41Å; M1583-I1587 HydrophobicContact CG-CD1 4.28Å; M1583-I1587 WeakPolarHBondContact O-CG1 3.44Å; M1583-I1587 PolarHBondContact O-N 2.99Å; M1583-I1661 HydrophobicContact SD-CG2 3.84Å; M1583-L1662 WeakPolarHBondContact CE-O 3.31Å; M1583-K1664 HydrophobicContact CE-CB 4.3Å; M1583-Q1665 HydrophobicContact CE-CB 3.9Å; M1583-Q1665 HydrophobicContact CE-CG 3.69Å; M1583-Q1665 HydrophobicContact CG-CB 4.37Å; M1583-Q1665 HydrophobicContact SD-CB 3.97Å; M1583-L1666 HydrophobicContact CE-CB 3.84Å; M1583-L1666 HydrophobicContact CE-CD1 3.86Å; M1583-L1666 HydrophobicContact CE-CG 4.42Å; M1583-L1668 HydrophobicContact CE-CD1 4.28Å; M1583-C1669 VanDerWaalsContact SD-SG 3.62Å |
| 1584 | I | 67.7 | Low | 61.6 | Low | 0.4 Ų | 0.4 | 47.7 Ų | 47.7 | 0% | 0.002 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.6 | -38.2 | -178 | -58.6 | -99.6 | 0 | 0 | 0 | 112.1 | V1579 D1580 S1581 I1587 I1588 L1625 L1629 V1637 L1639 | V1579-I1584 HydrophobicContact CB-CD1 4.01Å; V1579-I1584 HydrophobicContact CB-CG1 4.47Å; V1579-I1584 HydrophobicContact CG1-CD1 3.75Å; V1579-I1584 HydrophobicContact CG1-CG1 4.27Å; D1580-I1584 PolarHBondContact O-N 3.11Å; S1581-I1584 WeakPolarHBondContact O-CB 3.38Å; S1581-I1584 PolarHBondContact O-N 3.13Å; S1581-I1584 VanDerWaalsContact O-N 3.15Å; I1584-I1587 HydrophobicContact CD1-CD1 4.26Å; I1584-I1587 CarbonylContact O-C 3.58Å; I1584-I1587 WeakPolarHBondContact O-CA 3.4Å; I1584-I1587 WeakPolarHBondContact O-CB 3.34Å; I1584-I1587 PolarHBondContact O-N 3.14Å; I1584-I1587 VanDerWaalsContact O-N 3.1Å; I1584-I1588 HydrophobicContact CG2-CD1 3.7Å; I1584-I1588 HydrophobicContact CG2-CG1 4.12Å; I1584-I1588 WeakPolarHBondContact O-CB 3.31Å; I1584-I1588 WeakPolarHBondContact O-CG1 3.38Å; I1584-I1588 PolarHBondContact O-N 3.1Å; I1584-L1625 HydrophobicContact CD1-CD2 4.21Å; I1584-L1625 HydrophobicContact CG2-CB 3.93Å; I1584-L1625 HydrophobicContact CG2-CD1 4.42Å; I1584-L1625 HydrophobicContact CG2-CD2 4.03Å; I1584-L1625 HydrophobicContact CG2-CG 4.35Å; I1584-L1629 HydrophobicContact CB-CD1 3.92Å; I1584-L1629 HydrophobicContact CB-CD2 4.42Å; I1584-L1629 HydrophobicContact CB-CG 4.32Å; I1584-L1629 HydrophobicContact CG2-CD1 3.93Å; I1584-L1629 HydrophobicContact CG2-CD2 4.25Å; I1584-L1629 HydrophobicContact CG2-CG 4.15Å; I1584-V1637 HydrophobicContact CB-CG2 4.49Å; I1584-V1637 HydrophobicContact CD1-CB 4.09Å; I1584-V1637 HydrophobicContact CD1-CG1 4.3Å; I1584-V1637 HydrophobicContact CD1-CG2 3.2Å; I1584-V1637 HydrophobicContact CG1-CB 3.93Å; I1584-V1637 HydrophobicContact CG1-CG2 3.86Å; I1584-V1637 HydrophobicContact CG2-CG2 4.39Å; I1584-L1639 HydrophobicContact CD1-CD1 4.29Å; I1584-L1639 HydrophobicContact CD1-CD2 4.19Å |
| 1585 | A | 64.6 | Low | 63 | Low | 48.6 Ų | 48.6 | 43.4 Ų | 43.4 | 40% | 0.402 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62 | -44.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1581 M1583 I1587 I1588 S1589 L1629 | S1581-A1585 PolarHBondContact O-N 3.3Å; S1581-A1585 VanDerWaalsContact O-N 3.16Å; M1583-A1585 PolarHBondContact O-N 3.46Å; A1585-I1587 VanDerWaalsContact C-N 3.34Å; A1585-I1587 PolarHBondContact O-N 3.17Å; A1585-I1588 PolarHBondContact O-N 3.17Å; A1585-S1589 WeakPolarHBondContact O-CB 3.18Å; A1585-S1589 PolarHBondContact O-N 2.99Å; A1585-S1589 VanDerWaalsContact O-N 3.1Å; A1585-S1589 PolarHBondContact O-OG 2.95Å; A1585-L1629 HydrophobicContact CB-CD1 4.18Å |
| 1586 | P | 61.4 | Low | 63.9 | Low | 37 Ų | 37 | 44 Ų | 44 | 24% | 0.24 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -54.2 | -45.2 | 166.4 | -28.9 | 33.2 | 0 | 0 | 0 | 114.2 | S1582 M1583 I1588 S1589 Y1590 Y1658 L1662 | S1582-P1586 VanDerWaalsContact O-CD 3.23Å; S1582-P1586 WeakPolarHBondContact O-CD 3.41Å; S1582-P1586 WeakPolarHBondContact O-CG 3.35Å; M1583-P1586 VanDerWaalsContact O-CD 3.27Å; M1583-P1586 WeakPolarHBondContact O-CD 3.41Å; P1586-I1588 PolarHBondContact O-N 3.36Å; P1586-S1589 WeakPolarHBondContact O-CB 3.38Å; P1586-S1589 PolarHBondContact O-N 3.12Å; P1586-S1589 VanDerWaalsContact O-N 3.13Å; P1586-Y1590 PolarHBondContact O-N 3Å; P1586-Y1658 PolarHBondContact O-OH 2.82Å; P1586-L1662 HydrophobicContact CB-CD2 3.57Å |
| 1587 | I | 69.9 | Low | 64.2 | Low | 4.2 Ų | 4.2 | 46.6 Ų | 46.6 | 2% | 0.022 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 179.7 | -64.7 | 170.2 | 0 | 0 | 0 | 111.1 | V1579 M1583 I1584 A1585 S1589 Y1590 L1591 L1625 L1647 F1651 L1662 | V1579-I1587 HydrophobicContact CG1-CD1 4.33Å; M1583-I1587 HydrophobicContact CB-CD1 4.47Å; M1583-I1587 HydrophobicContact CE-CD1 4.01Å; M1583-I1587 HydrophobicContact CE-CG1 4.41Å; M1583-I1587 HydrophobicContact CG-CD1 4.28Å; M1583-I1587 WeakPolarHBondContact O-CG1 3.44Å; M1583-I1587 PolarHBondContact O-N 2.99Å; I1584-I1587 HydrophobicContact CD1-CD1 4.26Å; I1584-I1587 CarbonylContact O-C 3.58Å; I1584-I1587 WeakPolarHBondContact O-CA 3.4Å; I1584-I1587 WeakPolarHBondContact O-CB 3.34Å; I1584-I1587 PolarHBondContact O-N 3.14Å; I1584-I1587 VanDerWaalsContact O-N 3.1Å; A1585-I1587 VanDerWaalsContact C-N 3.34Å; A1585-I1587 PolarHBondContact O-N 3.17Å; I1587-S1589 VanDerWaalsContact C-N 3.31Å; I1587-S1589 PolarHBondContact O-N 3.16Å; I1587-Y1590 WeakPolarHBondContact O-CB 3.41Å; I1587-Y1590 PolarHBondContact O-N 3.34Å; I1587-L1591 HydrophobicContact CG2-CD1 3.97Å; I1587-L1591 HydrophobicContact CG2-CG 4.35Å; I1587-L1591 WeakPolarHBondContact O-CB 3.22Å; I1587-L1591 VanDerWaalsContact O-CG 3.3Å; I1587-L1591 WeakPolarHBondContact O-CG 3.41Å; I1587-L1591 PolarHBondContact O-N 3.01Å; I1587-L1625 HydrophobicContact CB-CD1 4.29Å; I1587-L1625 HydrophobicContact CG2-CD1 3.84Å; I1587-L1647 HydrophobicContact CD1-CD1 4.4Å; I1587-L1647 HydrophobicContact CG2-CD1 4.18Å; I1587-L1647 HydrophobicContact CG2-CD2 3.58Å; I1587-L1647 VanDerWaalsContact CG2-CD2 3.49Å; I1587-L1647 HydrophobicContact CG2-CG 4.46Å; I1587-F1651 HydrophobicContact CG1-CZ 4.26Å; I1587-F1651 HydrophobicContact CG2-CZ 4.29Å; I1587-L1662 HydrophobicContact CG1-CD2 4.4Å |
| 1588 | I | 72.8 | Confident | 64 | Low | 10.6 Ų | 10.6 | 48.1 Ų | 48.1 | 5% | 0.054 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 174.7 | -69.6 | 166.6 | 0 | 0 | 0 | 111.1 | I1584 A1585 P1586 Y1590 L1591 K1592 L1625 V1626 L1629 | I1584-I1588 HydrophobicContact CG2-CD1 3.7Å; I1584-I1588 HydrophobicContact CG2-CG1 4.12Å; I1584-I1588 WeakPolarHBondContact O-CB 3.31Å; I1584-I1588 WeakPolarHBondContact O-CG1 3.38Å; I1584-I1588 PolarHBondContact O-N 3.1Å; A1585-I1588 PolarHBondContact O-N 3.17Å; P1586-I1588 PolarHBondContact O-N 3.36Å; I1588-Y1590 VanDerWaalsContact C-N 3.32Å; I1588-Y1590 PolarHBondContact O-N 3.29Å; I1588-L1591 PolarHBondContact O-N 3.21Å; I1588-K1592 HydrophobicContact CG2-CD 3.93Å; I1588-K1592 VanDerWaalsContact CG2-CE 3.45Å; I1588-K1592 HydrophobicContact CG2-CG 4.33Å; I1588-K1592 VanDerWaalsContact O-CB 3.29Å; I1588-K1592 WeakPolarHBondContact O-CB 3.39Å; I1588-K1592 VanDerWaalsContact O-CG 3.27Å; I1588-K1592 WeakPolarHBondContact O-CG 3.42Å; I1588-K1592 PolarHBondContact O-N 3.26Å; I1588-L1625 VanDerWaalsContact CD1-C 3.45Å; I1588-L1625 HydrophobicContact CD1-CB 3.85Å; I1588-L1625 WeakPolarHBondContact CD1-O 3.41Å; I1588-L1625 HydrophobicContact CG1-CB 3.66Å; I1588-L1625 HydrophobicContact CG1-CD1 4.41Å; I1588-V1626 HydrophobicContact CD1-CB 4.45Å; I1588-V1626 HydrophobicContact CD1-CG2 3.88Å; I1588-V1626 HydrophobicContact CG1-CG2 4.28Å; I1588-V1626 HydrophobicContact CG2-CG2 3.72Å; I1588-L1629 HydrophobicContact CD1-CB 4.45Å; I1588-L1629 HydrophobicContact CD1-CD1 3.57Å; I1588-L1629 VanDerWaalsContact CD1-CD1 3.47Å; I1588-L1629 HydrophobicContact CD1-CG 4.06Å |
| 1589 | S | 69.5 | Low | 63.2 | Low | 72.6 Ų | 72.6 | 50.5 Ų | 50.5 | 51% | 0.508 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 177.8 | -127.1 | 0 | 0 | 0 | 0 | 111.3 | A1585 P1586 I1587 K1592 S1593 | A1585-S1589 WeakPolarHBondContact O-CB 3.18Å; A1585-S1589 PolarHBondContact O-N 2.99Å; A1585-S1589 VanDerWaalsContact O-N 3.1Å; A1585-S1589 PolarHBondContact O-OG 2.95Å; P1586-S1589 WeakPolarHBondContact O-CB 3.38Å; P1586-S1589 PolarHBondContact O-N 3.12Å; P1586-S1589 VanDerWaalsContact O-N 3.13Å; I1587-S1589 VanDerWaalsContact C-N 3.31Å; I1587-S1589 PolarHBondContact O-N 3.16Å; S1589-K1592 PolarHBondContact O-N 3.23Å; S1589-S1593 PolarHBondContact O-N 3.24Å |
| 1590 | Y | 73.1 | Confident | 62.1 | Low | 11 Ų | 11 | 54.2 Ų | 54.2 | 4% | 0.043 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.4 | -46.9 | 173.2 | 174.1 | -99.2 | 0 | 0 | 0 | 112.9 | P1586 I1587 I1588 K1592 S1593 K1594 L1650 F1651 D1654 A1657 Y1658 L1662 | P1586-Y1590 PolarHBondContact O-N 3Å; I1587-Y1590 WeakPolarHBondContact O-CB 3.41Å; I1587-Y1590 PolarHBondContact O-N 3.34Å; I1588-Y1590 VanDerWaalsContact C-N 3.32Å; I1588-Y1590 PolarHBondContact O-N 3.29Å; Y1590-K1592 VanDerWaalsContact C-N 3.29Å; Y1590-K1592 PolarHBondContact O-N 3.28Å; Y1590-S1593 WeakPolarHBondContact O-CB 3.38Å; Y1590-S1593 PolarHBondContact O-N 2.97Å; Y1590-S1593 VanDerWaalsContact O-N 3.13Å; Y1590-S1593 PolarHBondContact O-OG 3.17Å; Y1590-K1594 HydrophobicContact CD1-CG 4.46Å; Y1590-K1594 HydrophobicContact CD2-CG 4.48Å; Y1590-K1594 HydrophobicContact CE1-CG 4.15Å; Y1590-K1594 HydrophobicContact CE2-CD 4.41Å; Y1590-K1594 VanDerWaalsContact CE2-CE 3.45Å; Y1590-K1594 HydrophobicContact CE2-CG 4.15Å; Y1590-K1594 VanDerWaalsContact CZ-CE 3.5Å; Y1590-K1594 WeakPolarHBondContact O-CG 3.35Å; Y1590-K1594 PolarHBondContact O-N 3.18Å; Y1590-K1594 VanDerWaalsContact O-N 3.1Å; Y1590-K1594 VanDerWaalsContact OH-CE 3.28Å; Y1590-K1594 WeakPolarHBondContact OH-CE 3.44Å; Y1590-L1650 HydrophobicContact CE1-CB 4.1Å; Y1590-L1650 PolarHBondContact OH-O 3.19Å; Y1590-L1650 VanDerWaalsContact OH-O 3.06Å; Y1590-F1651 HydrophobicContact CD1-CD1 4.07Å; Y1590-F1651 AromaticContact CD1-CE1 3.67Å; Y1590-F1651 HydrophobicContact CD1-CE1 3.67Å; Y1590-F1651 AromaticContact CE1-CD1 3.62Å; Y1590-F1651 HydrophobicContact CE1-CD1 3.75Å; Y1590-F1651 AromaticContact CE1-CE1 3.69Å; Y1590-F1651 HydrophobicContact CE1-CE1 3.69Å; Y1590-F1651 HydrophobicContact CE2-CD1 4.36Å; Y1590-F1651 HydrophobicContact CG-CE1 4.17Å; Y1590-F1651 AromaticContact CZ-CD1 3.88Å; Y1590-D1654 HydrophobicContact CE2-CB 4.34Å; Y1590-D1654 VanDerWaalsContact OH-CB 3.25Å; Y1590-D1654 WeakPolarHBondContact OH-CB 3.35Å; Y1590-A1657 HydrophobicContact CD2-CB 4.08Å; Y1590-A1657 HydrophobicContact CE2-CB 4.06Å; Y1590-Y1658 HydrophobicContact CD2-CD1 4.23Å; Y1590-Y1658 HydrophobicContact CD2-CE1 4.45Å; Y1590-L1662 HydrophobicContact CD1-CD1 4.49Å; Y1590-L1662 HydrophobicContact CD2-CD1 4.3Å; Y1590-L1662 HydrophobicContact CG-CD1 3.92Å |
| 1591 | L | 71.6 | Confident | 61 | Low | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 176.9 | -68.6 | 170.1 | 0 | 0 | 0 | 111.4 | I1587 I1588 K1594 L1595 V1618 V1621 L1625 L1647 L1650 | I1587-L1591 HydrophobicContact CG2-CD1 3.97Å; I1587-L1591 HydrophobicContact CG2-CG 4.35Å; I1587-L1591 WeakPolarHBondContact O-CB 3.22Å; I1587-L1591 VanDerWaalsContact O-CG 3.3Å; I1587-L1591 WeakPolarHBondContact O-CG 3.41Å; I1587-L1591 PolarHBondContact O-N 3.01Å; I1588-L1591 PolarHBondContact O-N 3.21Å; L1591-K1594 PolarHBondContact O-N 3.1Å; L1591-L1595 WeakPolarHBondContact O-CB 3.39Å; L1591-L1595 WeakPolarHBondContact O-CD1 3.48Å; L1591-L1595 VanDerWaalsContact O-CG 3.28Å; L1591-L1595 WeakPolarHBondContact O-CG 3.41Å; L1591-L1595 PolarHBondContact O-N 3.12Å; L1591-V1618 HydrophobicContact CB-CG1 4.25Å; L1591-V1618 HydrophobicContact CD2-CG1 3.97Å; L1591-V1621 HydrophobicContact CD1-CG1 4.28Å; L1591-L1625 HydrophobicContact CD1-CD1 3.92Å; L1591-L1647 HydrophobicContact CD1-CD2 4.32Å; L1591-L1647 HydrophobicContact CD2-CD2 4.28Å; L1591-L1647 HydrophobicContact CG-CD2 4.42Å; L1591-L1650 HydrophobicContact CD2-CD1 3.62Å |
| 1592 | K | 71.6 | Confident | 59.8 | Low | 107.8 Ų | 107.8 | 60.1 Ų | 60.1 | 47% | 0.469 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 173.4 | -76.1 | 176.2 | 179.7 | 174.7 | 0 | 112.3 | I1588 S1589 Y1590 K1594 L1595 L1596 | I1588-K1592 HydrophobicContact CG2-CD 3.93Å; I1588-K1592 VanDerWaalsContact CG2-CE 3.45Å; I1588-K1592 HydrophobicContact CG2-CG 4.33Å; I1588-K1592 VanDerWaalsContact O-CB 3.29Å; I1588-K1592 WeakPolarHBondContact O-CB 3.39Å; I1588-K1592 VanDerWaalsContact O-CG 3.27Å; I1588-K1592 WeakPolarHBondContact O-CG 3.42Å; I1588-K1592 PolarHBondContact O-N 3.26Å; S1589-K1592 PolarHBondContact O-N 3.23Å; Y1590-K1592 VanDerWaalsContact C-N 3.29Å; Y1590-K1592 PolarHBondContact O-N 3.28Å; K1592-K1594 VanDerWaalsContact C-N 3.34Å; K1592-K1594 PolarHBondContact O-N 3.42Å; K1592-L1595 PolarHBondContact O-N 3.06Å; K1592-L1596 WeakPolarHBondContact O-CB 3.35Å; K1592-L1596 WeakPolarHBondContact O-CD1 3.21Å; K1592-L1596 VanDerWaalsContact O-CG 3.25Å; K1592-L1596 WeakPolarHBondContact O-CG 3.41Å; K1592-L1596 PolarHBondContact O-N 3.02Å |
| 1593 | S | 67.4 | Low | 58.5 | Low | 46.4 Ų | 46.4 | 62.9 Ų | 62.9 | 32% | 0.324 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 176 | 77.3 | 0 | 0 | 0 | 0 | 111.7 | S1589 Y1590 L1595 L1596 E1597 | S1589-S1593 PolarHBondContact O-N 3.24Å; Y1590-S1593 WeakPolarHBondContact O-CB 3.38Å; Y1590-S1593 PolarHBondContact O-N 2.97Å; Y1590-S1593 VanDerWaalsContact O-N 3.13Å; Y1590-S1593 PolarHBondContact O-OG 3.17Å; S1593-L1595 VanDerWaalsContact C-N 3.34Å; S1593-L1595 PolarHBondContact O-N 3.14Å; S1593-L1596 CarbonylContact O-C 3.53Å; S1593-L1596 WeakPolarHBondContact O-CA 3.28Å; S1593-L1596 WeakPolarHBondContact O-CB 3.28Å; S1593-L1596 PolarHBondContact O-N 3.08Å; S1593-E1597 WeakPolarHBondContact O-CG 3.34Å; S1593-E1597 PolarHBondContact O-N 3.11Å |
| 1594 | K | 64.4 | Low | 56.9 | Low | 32 Ų | 32 | 67.8 Ų | 67.8 | 14% | 0.139 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.5 | -34.7 | 174.8 | -67.4 | -64.2 | 163.3 | -162.6 | 0 | 113.2 | Y1590 L1591 K1592 L1596 E1597 N1598 V1600 D1654 | Y1590-K1594 HydrophobicContact CD1-CG 4.46Å; Y1590-K1594 HydrophobicContact CD2-CG 4.48Å; Y1590-K1594 HydrophobicContact CE1-CG 4.15Å; Y1590-K1594 HydrophobicContact CE2-CD 4.41Å; Y1590-K1594 VanDerWaalsContact CE2-CE 3.45Å; Y1590-K1594 HydrophobicContact CE2-CG 4.15Å; Y1590-K1594 VanDerWaalsContact CZ-CE 3.5Å; Y1590-K1594 WeakPolarHBondContact O-CG 3.35Å; Y1590-K1594 PolarHBondContact O-N 3.18Å; Y1590-K1594 VanDerWaalsContact O-N 3.1Å; Y1590-K1594 VanDerWaalsContact OH-CE 3.28Å; Y1590-K1594 WeakPolarHBondContact OH-CE 3.44Å; L1591-K1594 PolarHBondContact O-N 3.1Å; K1592-K1594 VanDerWaalsContact C-N 3.34Å; K1592-K1594 PolarHBondContact O-N 3.42Å; K1594-L1596 VanDerWaalsContact C-N 3.31Å; K1594-L1596 PolarHBondContact O-N 3.35Å; K1594-E1597 WeakPolarHBondContact CD-OE2 3.48Å; K1594-E1597 VanDerWaalsContact CE-OE2 3.3Å; K1594-E1597 WeakPolarHBondContact CE-OE2 3.32Å; K1594-E1597 IonicContact NZ-OE1 3.35Å; K1594-E1597 PolarHBondContact NZ-OE1 3.1Å; K1594-E1597 IonicContact NZ-OE2 3.57Å; K1594-E1597 PolarHBondContact NZ-OE2 3.38Å; K1594-E1597 PolarHBondContact O-N 2.99Å; K1594-N1598 WeakPolarHBondContact O-CB 3.37Å; K1594-N1598 PolarHBondContact O-N 3.2Å; K1594-N1598 VanDerWaalsContact O-N 3.13Å; K1594-N1598 PolarHBondContact O-ND2 2.99Å; K1594-V1600 HydrophobicContact CB-CG2 4.17Å; K1594-V1600 WeakPolarHBondContact O-CG2 3.39Å; K1594-D1654 VanDerWaalsContact CE-CG 3.48Å; K1594-D1654 VanDerWaalsContact CE-OD1 3.25Å; K1594-D1654 WeakPolarHBondContact CE-OD1 3.27Å; K1594-D1654 WeakPolarHBondContact CE-OD2 3.23Å; K1594-D1654 IonicContact NZ-OD1 2.84Å; K1594-D1654 PolarHBondContact NZ-OD1 3.18Å; K1594-D1654 IonicContact NZ-OD2 2.8Å; K1594-D1654 PolarHBondContact NZ-OD2 3.22Å |
| 1595 | L | 66.2 | Low | 55.1 | Low | 41.2 Ų | 41.2 | 75 Ų | 75 | 22% | 0.216 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.9 | -25.7 | 171.4 | -71.2 | 170.1 | 0 | 0 | 0 | 113 | L1591 K1592 S1593 R1599 I1615 V1618 K1619 | L1591-L1595 WeakPolarHBondContact O-CB 3.39Å; L1591-L1595 WeakPolarHBondContact O-CD1 3.48Å; L1591-L1595 VanDerWaalsContact O-CG 3.28Å; L1591-L1595 WeakPolarHBondContact O-CG 3.41Å; L1591-L1595 PolarHBondContact O-N 3.12Å; K1592-L1595 PolarHBondContact O-N 3.06Å; S1593-L1595 VanDerWaalsContact C-N 3.34Å; S1593-L1595 PolarHBondContact O-N 3.14Å; L1595-R1599 WeakPolarHBondContact O-CG 3.17Å; L1595-R1599 PolarHBondContact O-N 2.85Å; L1595-I1615 HydrophobicContact CD2-CG2 4.09Å; L1595-V1618 HydrophobicContact CD1-CG1 4.4Å; L1595-V1618 HydrophobicContact CD2-CB 4.27Å; L1595-V1618 HydrophobicContact CD2-CG1 4.03Å; L1595-V1618 HydrophobicContact CG-CG1 4.07Å; L1595-K1619 HydrophobicContact CD1-CG 4.13Å; L1595-K1619 HydrophobicContact CD2-CB 4.25Å; L1595-K1619 HydrophobicContact CD2-CG 3.69Å; L1595-K1619 HydrophobicContact CG-CG 4.41Å |
| 1596 | L | 60.3 | Low | 53.4 | Low | 116.8 Ų | 116.8 | 78.3 Ų | 78.3 | 61% | 0.612 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -81.3 | -41.6 | 174.3 | -74.1 | 165.1 | 0 | 0 | 0 | 112.5 | K1592 S1593 K1594 N1598 R1599 V1600 | K1592-L1596 WeakPolarHBondContact O-CB 3.35Å; K1592-L1596 WeakPolarHBondContact O-CD1 3.21Å; K1592-L1596 VanDerWaalsContact O-CG 3.25Å; K1592-L1596 WeakPolarHBondContact O-CG 3.41Å; K1592-L1596 PolarHBondContact O-N 3.02Å; S1593-L1596 CarbonylContact O-C 3.53Å; S1593-L1596 WeakPolarHBondContact O-CA 3.28Å; S1593-L1596 WeakPolarHBondContact O-CB 3.28Å; S1593-L1596 PolarHBondContact O-N 3.08Å; K1594-L1596 VanDerWaalsContact C-N 3.31Å; K1594-L1596 PolarHBondContact O-N 3.35Å; L1596-N1598 VanDerWaalsContact C-N 3.28Å; L1596-N1598 PolarHBondContact O-N 3.13Å; L1596-R1599 WeakPolarHBondContact O-CA 3.28Å; L1596-R1599 WeakPolarHBondContact O-CB 3.28Å; L1596-R1599 PolarHBondContact O-N 3.1Å; L1596-R1599 VanDerWaalsContact O-N 3.1Å; L1596-V1600 WeakPolarHBondContact O-CG2 3.34Å; L1596-V1600 PolarHBondContact O-N 2.88Å |
| 1597 | E | 54.5 | Low | 51.9 | Low | 89.8 Ų | 89.8 | 83.7 Ų | 83.7 | 42% | 0.42 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -57.6 | -36.4 | 176 | -77.4 | -179 | 174.2 | 0 | 0 | 112.1 | S1593 K1594 R1599 V1600 N1601 | S1593-E1597 WeakPolarHBondContact O-CG 3.34Å; S1593-E1597 PolarHBondContact O-N 3.11Å; K1594-E1597 WeakPolarHBondContact CD-OE2 3.48Å; K1594-E1597 VanDerWaalsContact CE-OE2 3.3Å; K1594-E1597 WeakPolarHBondContact CE-OE2 3.32Å; K1594-E1597 IonicContact NZ-OE1 3.35Å; K1594-E1597 PolarHBondContact NZ-OE1 3.1Å; K1594-E1597 IonicContact NZ-OE2 3.57Å; K1594-E1597 PolarHBondContact NZ-OE2 3.38Å; K1594-E1597 PolarHBondContact O-N 2.99Å; E1597-R1599 VanDerWaalsContact C-N 3.27Å; E1597-R1599 HydrophobicContact CB-CB 4.12Å; E1597-R1599 HydrophobicContact CB-CG 4.1Å; E1597-R1599 PolarHBondContact O-N 2.98Å; E1597-R1599 IonicContact OE1-CZ 2.87Å; E1597-R1599 IonicContact OE1-NE 3.44Å; E1597-R1599 IonicContact OE1-NH1 2.75Å; E1597-R1599 PolarHBondContact OE1-NH1 3.33Å; E1597-R1599 IonicContact OE2-NH1 2.86Å; E1597-V1600 WeakPolarHBondContact O-CA 3.17Å; E1597-V1600 WeakPolarHBondContact O-CB 3.41Å; E1597-V1600 PolarHBondContact O-N 3.03Å; E1597-V1600 VanDerWaalsContact O-N 3.09Å; E1597-N1601 PolarHBondContact O-N 3.19Å |
| 1598 | N | 49.5 | Very low | 49.9 | Very low | 69 Ų | 69 | 90.4 Ų | 90.4 | 37% | 0.369 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -54.8 | -14 | -179.8 | -83.9 | -43 | 0 | 0 | 0 | 114.4 | K1594 L1596 V1600 N1601 N1602 L1603 I1615 | K1594-N1598 WeakPolarHBondContact O-CB 3.37Å; K1594-N1598 PolarHBondContact O-N 3.2Å; K1594-N1598 VanDerWaalsContact O-N 3.13Å; K1594-N1598 PolarHBondContact O-ND2 2.99Å; L1596-N1598 VanDerWaalsContact C-N 3.28Å; L1596-N1598 PolarHBondContact O-N 3.13Å; N1598-V1600 VanDerWaalsContact C-N 3.26Å; N1598-V1600 PolarHBondContact O-N 3.41Å; N1598-N1601 PolarHBondContact O-N 3.46Å; N1598-N1602 WeakPolarHBondContact O-CB 3.49Å; N1598-N1602 PolarHBondContact O-N 2.99Å; N1598-N1602 PolarHBondContact O-ND2 3.1Å; N1598-L1603 WeakPolarHBondContact OD1-CD1 3.41Å; N1598-L1603 VanDerWaalsContact OD1-CG 3.31Å; N1598-L1603 WeakPolarHBondContact OD1-CG 3.37Å; N1598-I1615 HydrophobicContact CB-CD1 3.94Å; N1598-I1615 HydrophobicContact CB-CG1 4.03Å; N1598-I1615 VanDerWaalsContact ND2-CG1 3.34Å; N1598-I1615 WeakPolarHBondContact ND2-CG1 3.48Å |
| 1599 | R | 44.2 | Very low | 47.8 | Very low | 173.4 Ų | 173.4 | 100.3 Ų | 100.3 | 65% | 0.654 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.3 | -22.6 | 171.1 | -74.4 | -178.5 | 173.2 | -169.6 | -3.9 | 112.9 | L1595 L1596 E1597 | L1595-R1599 WeakPolarHBondContact O-CG 3.17Å; L1595-R1599 PolarHBondContact O-N 2.85Å; L1596-R1599 WeakPolarHBondContact O-CA 3.28Å; L1596-R1599 WeakPolarHBondContact O-CB 3.28Å; L1596-R1599 PolarHBondContact O-N 3.1Å; L1596-R1599 VanDerWaalsContact O-N 3.1Å; E1597-R1599 VanDerWaalsContact C-N 3.27Å; E1597-R1599 HydrophobicContact CB-CB 4.12Å; E1597-R1599 HydrophobicContact CB-CG 4.1Å; E1597-R1599 PolarHBondContact O-N 2.98Å; E1597-R1599 IonicContact OE1-CZ 2.87Å; E1597-R1599 IonicContact OE1-NE 3.44Å; E1597-R1599 IonicContact OE1-NH1 2.75Å; E1597-R1599 PolarHBondContact OE1-NH1 3.33Å; E1597-R1599 IonicContact OE2-NH1 2.86Å |
| 1600 | V | 37.4 | Very low | 46 | Very low | 86.2 Ų | 86.2 | 107 Ų | 107 | 52% | 0.522 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -76.7 | -35.3 | 173.5 | -173.6 | 0 | 0 | 0 | 0 | 110.4 | K1594 L1596 E1597 N1598 N1602 L1603 | K1594-V1600 HydrophobicContact CB-CG2 4.17Å; K1594-V1600 WeakPolarHBondContact O-CG2 3.39Å; L1596-V1600 WeakPolarHBondContact O-CG2 3.34Å; L1596-V1600 PolarHBondContact O-N 2.88Å; E1597-V1600 WeakPolarHBondContact O-CA 3.17Å; E1597-V1600 WeakPolarHBondContact O-CB 3.41Å; E1597-V1600 PolarHBondContact O-N 3.03Å; E1597-V1600 VanDerWaalsContact O-N 3.09Å; N1598-V1600 VanDerWaalsContact C-N 3.26Å; N1598-V1600 PolarHBondContact O-N 3.41Å; V1600-N1602 VanDerWaalsContact C-N 3.32Å; V1600-N1602 PolarHBondContact O-N 3.19Å; V1600-L1603 PolarHBondContact O-N 3.07Å |
| 1601 | N | 35.2 | Very low | 44.7 | Very low | 107.4 Ų | 107.4 | 110.2 Ų | 110.2 | 57% | 0.574 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66.3 | -20.6 | -176.3 | -71.3 | -24.5 | 0 | 0 | 0 | 114.1 | E1597 N1598 L1603 N1604 | E1597-N1601 PolarHBondContact O-N 3.19Å; N1598-N1601 PolarHBondContact O-N 3.46Å; N1601-L1603 PolarHBondContact O-N 3.19Å; N1601-L1603 VanDerWaalsContact O-N 3.09Å; N1601-N1604 CarbonylContact O-C 3.59Å; N1601-N1604 PolarHBondContact O-N 3.2Å; N1601-N1604 VanDerWaalsContact O-N 3.16Å |
| 1602 | N | 34.5 | Very low | 43.6 | Very low | 116.2 Ų | 116.2 | 116.3 Ų | 116.3 | 62% | 0.621 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | 7.6 | 173.1 | -81.8 | -45.2 | 0 | 0 | 0 | 114.9 | N1598 V1600 N1604 I1615 | N1598-N1602 WeakPolarHBondContact O-CB 3.49Å; N1598-N1602 PolarHBondContact O-N 2.99Å; N1598-N1602 PolarHBondContact O-ND2 3.1Å; V1600-N1602 VanDerWaalsContact C-N 3.32Å; V1600-N1602 PolarHBondContact O-N 3.19Å; N1602-N1604 HydrophobicContact CB-CB 4.1Å; N1602-N1604 PolarHBondContact O-N 2.78Å; N1602-N1604 PolarHBondContact OD1-ND2 3.12Å; N1602-I1615 WeakPolarHBondContact ND2-CD1 3.39Å |
| 1603 | L | 32.3 | Very low | 43 | Very low | 131.6 Ų | 131.6 | 114 Ų | 114 | 69% | 0.689 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -0.2 | 164.3 | -79 | 165.7 | 0 | 0 | 0 | 113.2 | N1598 V1600 N1601 I1605 I1615 | N1598-L1603 WeakPolarHBondContact OD1-CD1 3.41Å; N1598-L1603 VanDerWaalsContact OD1-CG 3.31Å; N1598-L1603 WeakPolarHBondContact OD1-CG 3.37Å; V1600-L1603 PolarHBondContact O-N 3.07Å; N1601-L1603 PolarHBondContact O-N 3.19Å; N1601-L1603 VanDerWaalsContact O-N 3.09Å; L1603-I1605 PolarHBondContact O-N 2.9Å; L1603-I1615 HydrophobicContact CD1-CD1 4.36Å |
| 1604 | N | 27.6 | Very low | 42.8 | Very low | 121 Ų | 121 | 115.3 Ų | 115.3 | 65% | 0.647 | 58% | 0.577 | S | S | * | * | trans | -117 | 94.8 | 179.4 | -81.1 | -38.8 | 0 | 0 | 0 | 111.5 | N1601 N1602 V1606 | N1601-N1604 CarbonylContact O-C 3.59Å; N1601-N1604 PolarHBondContact O-N 3.2Å; N1601-N1604 VanDerWaalsContact O-N 3.16Å; N1602-N1604 HydrophobicContact CB-CB 4.1Å; N1602-N1604 PolarHBondContact O-N 2.78Å; N1602-N1604 PolarHBondContact OD1-ND2 3.12Å; N1604-V1606 WeakPolarHBondContact O-CG2 3.28Å; N1604-V1606 PolarHBondContact O-N 3.04Å; N1604-V1606 VanDerWaalsContact O-N 3.07Å | ||
| 1605 | I | 28.5 | Very low | 42.8 | Very low | 151.4 Ų | 151.4 | 116.9 Ų | 116.9 | 78% | 0.776 | 59% | 0.586 | S | S | * | * | trans | -35.8 | 103.1 | 159.5 | -48.7 | 174.4 | 0 | 0 | 0 | 112.5 | L1603 | L1603-I1605 PolarHBondContact O-N 2.9Š| ||
| 1606 | V | 28.6 | Very low | 43 | Very low | 118.8 Ų | 118.8 | 119.8 Ų | 119.8 | 72% | 0.72 | 60% | 0.602 | S | S | * | * | trans | 155.7 | 79.6 | 152.1 | -176 | 0 | 0 | 0 | 0 | 112.5 | N1604 | N1604-V1606 WeakPolarHBondContact O-CG2 3.28Å; N1604-V1606 PolarHBondContact O-N 3.04Å; N1604-V1606 VanDerWaalsContact O-N 3.07Å | ||
| 1607 | N | 30.1 | Very low | 43.4 | Very low | 150 Ų | 150 | 116.5 Ų | 116.5 | 80% | 0.802 | 59% | 0.585 | S | S | * | * | trans | -163.1 | 102 | 141.8 | -95.6 | -40.3 | 0 | 0 | 0 | 111.3 | R1609 | N1607-R1609 PolarHBondContact O-N 3.06Š| ||
| 1608 | D | 27.9 | Very low | 44.2 | Very low | 145.4 Ų | 145.4 | 112.5 Ų | 112.5 | 78% | 0.778 | 57% | 0.567 | S | S | * | * | trans | -59.7 | 91.2 | 171 | -70.5 | -45.4 | 0 | 0 | 0 | 113.9 | Y1610 | D1608-Y1610 PolarHBondContact O-N 3.48Š| ||
| 1609 | R | 30.2 | Very low | 45.4 | Very low | 218.8 Ų | 218.8 | 114.1 Ų | 114.1 | 83% | 0.826 | 57% | 0.57 | S | S | * | * | trans | -164.4 | 107 | 157.4 | -76.9 | 161.3 | -164.5 | -139.2 | -0.6 | 112.8 | N1607 S1611 | N1607-R1609 PolarHBondContact O-N 3.06Å; R1609-S1611 PolarHBondContact O-N 3.32Å | ||
| 1610 | Y | 31.2 | Very low | 46.9 | Very low | 212 Ų | 212 | 111.9 Ų | 111.9 | 83% | 0.831 | 57% | 0.568 | S | S | * | * | trans | 28.8 | 75.7 | 167.4 | -61.2 | -79 | 0 | 0 | 0 | 114.1 | D1608 D1612 | D1608-Y1610 PolarHBondContact O-N 3.48Å; Y1610-D1612 PolarHBondContact O-N 3.29Å | ||
| 1611 | S | 45.2 | Very low | 48.7 | Very low | 79.4 Ų | 79.4 | 108.1 Ų | 108.1 | 56% | 0.555 | 55% | 0.545 | S | S | * | . | trans | -104.8 | 107.1 | 158.2 | 50.3 | 0 | 0 | 0 | 0 | 109.7 | R1609 Y1613 | R1609-S1611 PolarHBondContact O-N 3.32Å; S1611-Y1613 WeakPolarHBondContact CB-O 3.36Å; S1611-Y1613 PolarHBondContact O-N 3.04Å; S1611-Y1613 VanDerWaalsContact O-O 3.1Å; S1611-Y1613 PolarHBondContact OG-O 3.16Å | ||
| 1612 | D | 49.4 | Very low | 50.8 | Low | 127 Ų | 127 | 103.4 Ų | 103.4 | 68% | 0.679 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -81.4 | 22.4 | -173.3 | -62.8 | -30.9 | 0 | 0 | 0 | 113.3 | Y1610 K1649 | Y1610-D1612 PolarHBondContact O-N 3.29Å; D1612-K1649 HydrophobicContact CB-CD 4.25Å; D1612-K1649 WeakPolarHBondContact O-CD 3.36Å; D1612-K1649 WeakPolarHBondContact O-CE 3.22Å; D1612-K1649 PolarHBondContact O-NZ 3.12Å |
| 1613 | Y | 57.5 | Low | 52.9 | Low | 60.4 Ų | 60.4 | 101.2 Ų | 101.2 | 24% | 0.237 | 51% | 0.514 | C | S | . | . | S | Bend | trans | -148 | 149.3 | 176.9 | 50.5 | -86.7 | 0 | 0 | 0 | 110.5 | S1611 D1617 V1618 L1646 K1649 L1650 A1653 | S1611-Y1613 WeakPolarHBondContact CB-O 3.36Å; S1611-Y1613 PolarHBondContact O-N 3.04Å; S1611-Y1613 VanDerWaalsContact O-O 3.1Å; S1611-Y1613 PolarHBondContact OG-O 3.16Å; Y1613-D1617 WeakPolarHBondContact CA-OD2 3.36Å; Y1613-V1618 HydrophobicContact CD2-CG2 4.02Å; Y1613-V1618 HydrophobicContact CE2-CG2 4.26Å; Y1613-L1646 HydrophobicContact CD1-CD1 4.05Å; Y1613-L1646 HydrophobicContact CD2-CD1 4.16Å; Y1613-L1646 HydrophobicContact CE1-CD1 4.35Å; Y1613-L1646 HydrophobicContact CG-CD1 3.84Å; Y1613-K1649 HydrophobicContact CD1-CB 3.92Å; Y1613-K1649 HydrophobicContact CD1-CD 4.26Å; Y1613-K1649 HydrophobicContact CD2-CD 4.3Å; Y1613-K1649 HydrophobicContact CE1-CB 4.02Å; Y1613-K1649 HydrophobicContact CE2-CD 3.53Å; Y1613-K1649 PolarHBondContact OH-NZ 2.89Å; Y1613-L1650 HydrophobicContact CD1-CD2 4.23Å; Y1613-L1650 HydrophobicContact CD2-CD2 3.89Å; Y1613-L1650 HydrophobicContact CD2-CG 4.31Å; Y1613-L1650 HydrophobicContact CE1-CD2 4.37Å; Y1613-L1650 HydrophobicContact CE2-CD2 3.61Å; Y1613-L1650 VanDerWaalsContact CE2-CD2 3.5Å; Y1613-L1650 HydrophobicContact CE2-CG 4.38Å; Y1613-L1650 HydrophobicContact CG-CD2 3.73Å; Y1613-L1650 HydrophobicContact CG-CG 4.4Å; Y1613-A1653 HydrophobicContact CD1-CB 3.89Å; Y1613-A1653 HydrophobicContact CE1-CB 3.48Å; Y1613-A1653 VanDerWaalsContact CE1-CB 3.48Å |
| 1614 | T | 64.3 | Low | 55.2 | Low | 72.8 Ų | 72.8 | 98.3 Ų | 98.3 | 45% | 0.447 | 49% | 0.494 | S | S | . | . | trans | -106.2 | 163.3 | 178.6 | 81.9 | 0 | 0 | 0 | 0 | 111.9 | N1616 D1617 V1618 | T1614-N1616 PolarHBondContact O-N 3.17Å; T1614-N1616 VanDerWaalsContact O-N 3.15Å; T1614-N1616 WeakPolarHBondContact OG1-CB 3.37Å; T1614-N1616 PolarHBondContact OG1-N 3.03Å; T1614-N1616 VanDerWaalsContact OG1-N 3.07Å; T1614-D1617 WeakPolarHBondContact CA-OD2 3.12Å; T1614-D1617 WeakPolarHBondContact CB-OD1 3.47Å; T1614-D1617 WeakPolarHBondContact CB-OD2 3.34Å; T1614-D1617 PolarHBondContact N-OD2 2.95Å; T1614-D1617 WeakPolarHBondContact O-CB 3.34Å; T1614-D1617 PolarHBondContact O-N 3.12Å; T1614-D1617 VanDerWaalsContact O-N 3.14Å; T1614-D1617 VanDerWaalsContact OG1-CG 3.26Å; T1614-D1617 PolarHBondContact OG1-N 3.04Å; T1614-D1617 PolarHBondContact OG1-OD1 3.07Å; T1614-D1617 PolarHBondContact OG1-OD2 3.33Å; T1614-V1618 WeakPolarHBondContact O-CG2 3.4Å; T1614-V1618 PolarHBondContact O-N 3.08Å | ||
| 1615 | I | 64.7 | Low | 57.5 | Low | 66.4 Ų | 66.4 | 92.6 Ų | 92.6 | 34% | 0.341 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.5 | -25.7 | 171.4 | -67.7 | 170.4 | 0 | 0 | 0 | 111.6 | L1595 N1598 N1602 L1603 D1617 K1619 | L1595-I1615 HydrophobicContact CD2-CG2 4.09Å; N1598-I1615 HydrophobicContact CB-CD1 3.94Å; N1598-I1615 HydrophobicContact CB-CG1 4.03Å; N1598-I1615 VanDerWaalsContact ND2-CG1 3.34Å; N1598-I1615 WeakPolarHBondContact ND2-CG1 3.48Å; N1602-I1615 WeakPolarHBondContact ND2-CD1 3.39Å; L1603-I1615 HydrophobicContact CD1-CD1 4.36Å; I1615-D1617 VanDerWaalsContact C-N 3.35Å; I1615-K1619 HydrophobicContact CG2-CD 4.42Å; I1615-K1619 HydrophobicContact CG2-CG 4.47Å; I1615-K1619 WeakPolarHBondContact O-CB 3.47Å; I1615-K1619 VanDerWaalsContact O-CG 3.3Å; I1615-K1619 WeakPolarHBondContact O-CG 3.35Å; I1615-K1619 PolarHBondContact O-N 2.99Å; I1615-K1619 VanDerWaalsContact O-N 3.12Å |
| 1616 | N | 69.4 | Low | 59.8 | Low | 101.6 Ų | 101.6 | 87.4 Ų | 87.4 | 54% | 0.543 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -71.9 | -35.5 | 175.7 | -77.3 | -13.5 | 0 | 0 | 0 | 111.9 | T1614 K1619 Q1620 | T1614-N1616 PolarHBondContact O-N 3.17Å; T1614-N1616 VanDerWaalsContact O-N 3.15Å; T1614-N1616 WeakPolarHBondContact OG1-CB 3.37Å; T1614-N1616 PolarHBondContact OG1-N 3.03Å; T1614-N1616 VanDerWaalsContact OG1-N 3.07Å; N1616-K1619 CarbonylContact O-C 3.55Å; N1616-K1619 WeakPolarHBondContact O-CA 3.31Å; N1616-K1619 WeakPolarHBondContact O-CB 3.29Å; N1616-K1619 PolarHBondContact O-N 3.07Å; N1616-K1619 VanDerWaalsContact O-N 3.11Å; N1616-K1619 PolarHBondContact OD1-NZ 3.13Å; N1616-Q1620 WeakPolarHBondContact O-CB 3.35Å; N1616-Q1620 WeakPolarHBondContact O-CG 3.35Å; N1616-Q1620 PolarHBondContact O-N 3.26Å |
| 1617 | D | 68.6 | Low | 62 | Low | 47.4 Ų | 47.4 | 88.1 Ų | 88.1 | 25% | 0.253 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.1 | -44.4 | 177.5 | -47 | -20.2 | 0 | 0 | 0 | 110.1 | Y1613 T1614 I1615 K1619 Q1620 V1621 L1646 | Y1613-D1617 WeakPolarHBondContact CA-OD2 3.36Å; T1614-D1617 WeakPolarHBondContact CA-OD2 3.12Å; T1614-D1617 WeakPolarHBondContact CB-OD1 3.47Å; T1614-D1617 WeakPolarHBondContact CB-OD2 3.34Å; T1614-D1617 PolarHBondContact N-OD2 2.95Å; T1614-D1617 WeakPolarHBondContact O-CB 3.34Å; T1614-D1617 PolarHBondContact O-N 3.12Å; T1614-D1617 VanDerWaalsContact O-N 3.14Å; T1614-D1617 VanDerWaalsContact OG1-CG 3.26Å; T1614-D1617 PolarHBondContact OG1-N 3.04Å; T1614-D1617 PolarHBondContact OG1-OD1 3.07Å; T1614-D1617 PolarHBondContact OG1-OD2 3.33Å; I1615-D1617 VanDerWaalsContact C-N 3.35Å; D1617-K1619 VanDerWaalsContact C-N 3.3Å; D1617-K1619 PolarHBondContact O-N 3.07Å; D1617-Q1620 PolarHBondContact O-N 3.04Å; D1617-Q1620 VanDerWaalsContact O-N 3.14Å; D1617-V1621 WeakPolarHBondContact O-CG2 3.48Å; D1617-V1621 PolarHBondContact O-N 3.01Å; D1617-L1646 HydrophobicContact CB-CD1 4.27Å; D1617-L1646 HydrophobicContact CB-CD2 4.02Å; D1617-L1646 VanDerWaalsContact CB-CD2 3.47Å; D1617-L1646 VanDerWaalsContact CG-CD2 3.46Å; D1617-L1646 WeakPolarHBondContact OD1-CD2 2.93Å |
| 1618 | V | 71.4 | Confident | 63.8 | Low | 6.4 Ų | 6.4 | 82.3 Ų | 82.3 | 4% | 0.039 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.4 | -41.1 | 173.1 | -175 | 0 | 0 | 0 | 0 | 111.2 | L1591 L1595 Y1613 T1614 S1622 L1646 L1650 | L1591-V1618 HydrophobicContact CB-CG1 4.25Å; L1591-V1618 HydrophobicContact CD2-CG1 3.97Å; L1595-V1618 HydrophobicContact CD1-CG1 4.4Å; L1595-V1618 HydrophobicContact CD2-CB 4.27Å; L1595-V1618 HydrophobicContact CD2-CG1 4.03Å; L1595-V1618 HydrophobicContact CG-CG1 4.07Å; Y1613-V1618 HydrophobicContact CD2-CG2 4.02Å; Y1613-V1618 HydrophobicContact CE2-CG2 4.26Å; T1614-V1618 WeakPolarHBondContact O-CG2 3.4Å; T1614-V1618 PolarHBondContact O-N 3.08Å; V1618-S1622 VanDerWaalsContact O-CB 3.25Å; V1618-S1622 WeakPolarHBondContact O-CB 3.35Å; V1618-S1622 PolarHBondContact O-N 3.11Å; V1618-S1622 VanDerWaalsContact O-N 3.08Å; V1618-L1646 HydrophobicContact CG2-CD1 4.42Å; V1618-L1650 HydrophobicContact CG1-CD1 4.5Å; V1618-L1650 HydrophobicContact CG2-CD1 4.31Å; V1618-L1650 HydrophobicContact CG2-CD2 4.03Å |
| 1619 | K | 74.2 | Confident | 65.5 | Low | 101.6 Ų | 101.6 | 77.3 Ų | 77.3 | 44% | 0.442 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.5 | -41.8 | 175.6 | -88.7 | 176.9 | -175.3 | 171 | 0 | 112.3 | L1595 I1615 N1616 D1617 S1622 S1623 | L1595-K1619 HydrophobicContact CD1-CG 4.13Å; L1595-K1619 HydrophobicContact CD2-CB 4.25Å; L1595-K1619 HydrophobicContact CD2-CG 3.69Å; L1595-K1619 HydrophobicContact CG-CG 4.41Å; I1615-K1619 HydrophobicContact CG2-CD 4.42Å; I1615-K1619 HydrophobicContact CG2-CG 4.47Å; I1615-K1619 WeakPolarHBondContact O-CB 3.47Å; I1615-K1619 VanDerWaalsContact O-CG 3.3Å; I1615-K1619 WeakPolarHBondContact O-CG 3.35Å; I1615-K1619 PolarHBondContact O-N 2.99Å; I1615-K1619 VanDerWaalsContact O-N 3.12Å; N1616-K1619 CarbonylContact O-C 3.55Å; N1616-K1619 WeakPolarHBondContact O-CA 3.31Å; N1616-K1619 WeakPolarHBondContact O-CB 3.29Å; N1616-K1619 PolarHBondContact O-N 3.07Å; N1616-K1619 VanDerWaalsContact O-N 3.11Å; N1616-K1619 PolarHBondContact OD1-NZ 3.13Å; D1617-K1619 VanDerWaalsContact C-N 3.3Å; D1617-K1619 PolarHBondContact O-N 3.07Å; K1619-S1622 CarbonylContact O-C 3.51Å; K1619-S1622 PolarHBondContact O-N 3.16Å; K1619-S1623 VanDerWaalsContact O-CB 3.28Å; K1619-S1623 WeakPolarHBondContact O-CB 3.28Å; K1619-S1623 PolarHBondContact O-N 3.17Å; K1619-S1623 PolarHBondContact O-OG 3.17Å |
| 1620 | Q | 75.7 | Confident | 67.3 | Low | 127.4 Ų | 127.4 | 72.9 Ų | 72.9 | 60% | 0.595 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.6 | -51 | -179.6 | -95.4 | 176.9 | -20.5 | 0 | 0 | 110.6 | N1616 D1617 S1622 S1623 Y1624 | N1616-Q1620 WeakPolarHBondContact O-CB 3.35Å; N1616-Q1620 WeakPolarHBondContact O-CG 3.35Å; N1616-Q1620 PolarHBondContact O-N 3.26Å; D1617-Q1620 PolarHBondContact O-N 3.04Å; D1617-Q1620 VanDerWaalsContact O-N 3.14Å; Q1620-S1622 VanDerWaalsContact C-N 3.34Å; Q1620-S1622 PolarHBondContact O-N 3.17Å; Q1620-S1623 WeakPolarHBondContact O-CB 3.37Å; Q1620-S1623 PolarHBondContact O-N 3.31Å; Q1620-S1623 VanDerWaalsContact O-N 3.09Å; Q1620-Y1624 WeakPolarHBondContact O-CB 3.37Å; Q1620-Y1624 PolarHBondContact O-N 3.12Å |
| 1621 | V | 76.1 | Confident | 68.8 | Low | 7.4 Ų | 7.4 | 66.2 Ų | 66.2 | 5% | 0.045 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64 | -40.6 | 176.5 | 179.3 | 0 | 0 | 0 | 0 | 111.3 | L1591 D1617 S1623 Y1624 L1625 L1646 L1647 | L1591-V1621 HydrophobicContact CD1-CG1 4.28Å; D1617-V1621 WeakPolarHBondContact O-CG2 3.48Å; D1617-V1621 PolarHBondContact O-N 3.01Å; V1621-S1623 VanDerWaalsContact C-N 3.32Å; V1621-S1623 PolarHBondContact O-N 2.93Å; V1621-Y1624 PolarHBondContact O-N 3.18Å; V1621-L1625 HydrophobicContact CG1-CD1 3.99Å; V1621-L1625 HydrophobicContact CG1-CG 4.26Å; V1621-L1625 WeakPolarHBondContact O-CB 3.39Å; V1621-L1625 VanDerWaalsContact O-CG 3.26Å; V1621-L1625 WeakPolarHBondContact O-CG 3.19Å; V1621-L1625 PolarHBondContact O-N 3.19Å; V1621-L1646 HydrophobicContact CB-CD2 3.97Å; V1621-L1646 HydrophobicContact CG2-CB 3.47Å; V1621-L1646 VanDerWaalsContact CG2-CB 3.47Å; V1621-L1646 HydrophobicContact CG2-CD1 3.69Å; V1621-L1646 HydrophobicContact CG2-CD2 3.54Å; V1621-L1646 VanDerWaalsContact CG2-CD2 3.49Å; V1621-L1646 HydrophobicContact CG2-CG 4.2Å; V1621-L1647 HydrophobicContact CG1-CD1 4.38Å; V1621-L1647 HydrophobicContact CG1-CD2 3.82Å; V1621-L1647 HydrophobicContact CG1-CG 3.91Å |
| 1622 | S | 79.6 | Confident | 69.3 | Low | 8.8 Ų | 8.8 | 66.5 Ų | 66.5 | 6% | 0.062 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.2 | -36 | 175.6 | -173.1 | 0 | 0 | 0 | 0 | 113 | V1618 K1619 Q1620 V1626 | V1618-S1622 VanDerWaalsContact O-CB 3.25Å; V1618-S1622 WeakPolarHBondContact O-CB 3.35Å; V1618-S1622 PolarHBondContact O-N 3.11Å; V1618-S1622 VanDerWaalsContact O-N 3.08Å; K1619-S1622 CarbonylContact O-C 3.51Å; K1619-S1622 PolarHBondContact O-N 3.16Å; Q1620-S1622 VanDerWaalsContact C-N 3.34Å; Q1620-S1622 PolarHBondContact O-N 3.17Å; S1622-V1626 WeakPolarHBondContact O-CB 3.34Å; S1622-V1626 VanDerWaalsContact O-CG2 3.3Å; S1622-V1626 WeakPolarHBondContact O-CG2 3.3Å; S1622-V1626 PolarHBondContact O-N 2.98Å; S1622-V1626 VanDerWaalsContact O-N 3.11Å |
| 1623 | S | 78.8 | Confident | 69.4 | Low | 68.8 Ų | 68.8 | 63.9 Ų | 63.9 | 48% | 0.481 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -71.9 | -47.1 | 177 | -61.3 | 0 | 0 | 0 | 0 | 110.9 | K1619 Q1620 V1621 L1625 V1626 E1627 | K1619-S1623 VanDerWaalsContact O-CB 3.28Å; K1619-S1623 WeakPolarHBondContact O-CB 3.28Å; K1619-S1623 PolarHBondContact O-N 3.17Å; K1619-S1623 PolarHBondContact O-OG 3.17Å; Q1620-S1623 WeakPolarHBondContact O-CB 3.37Å; Q1620-S1623 PolarHBondContact O-N 3.31Å; Q1620-S1623 VanDerWaalsContact O-N 3.09Å; V1621-S1623 VanDerWaalsContact C-N 3.32Å; V1621-S1623 PolarHBondContact O-N 2.93Å; S1623-L1625 VanDerWaalsContact C-N 3.33Å; S1623-L1625 PolarHBondContact O-N 3.07Å; S1623-V1626 CarbonylContact O-C 3.59Å; S1623-V1626 WeakPolarHBondContact O-CB 3.3Å; S1623-V1626 PolarHBondContact O-N 3.06Å; S1623-E1627 WeakPolarHBondContact O-CB 3.28Å; S1623-E1627 WeakPolarHBondContact O-CG 3.37Å; S1623-E1627 PolarHBondContact O-N 3.13Å |
| 1624 | Y | 81.1 | Confident | 68.9 | Low | 71.4 Ų | 71.4 | 67.9 Ų | 67.9 | 28% | 0.28 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -56 | -48.5 | 176.3 | 174.1 | -103.5 | 0 | 0 | 0 | 112 | Q1620 V1621 V1626 E1627 C1628 V1637 R1638 L1639 H1643 | Q1620-Y1624 WeakPolarHBondContact O-CB 3.37Å; Q1620-Y1624 PolarHBondContact O-N 3.12Å; V1621-Y1624 PolarHBondContact O-N 3.18Å; Y1624-V1626 VanDerWaalsContact C-N 3.32Å; Y1624-V1626 PolarHBondContact O-N 3.33Å; Y1624-E1627 WeakPolarHBondContact O-CB 3.27Å; Y1624-E1627 PolarHBondContact O-N 3.2Å; Y1624-E1627 VanDerWaalsContact O-N 3.15Å; Y1624-C1628 VanDerWaalsContact CE2-SG 3.54Å; Y1624-C1628 VanDerWaalsContact CZ-SG 3.58Å; Y1624-C1628 WeakPolarHBondContact O-CB 3.28Å; Y1624-C1628 PolarHBondContact O-N 3.01Å; Y1624-C1628 PolarHBondContact O-SG 3.02Å; Y1624-C1628 VanDerWaalsContact O-SG 3.33Å; Y1624-V1637 HydrophobicContact CE1-CG1 4.16Å; Y1624-R1638 WeakPolarHBondContact CE1-O 3.22Å; Y1624-R1638 VanDerWaalsContact CZ-O 3.28Å; Y1624-R1638 PolarHBondContact OH-O 3.21Å; Y1624-R1638 VanDerWaalsContact OH-O 3.12Å; Y1624-L1639 HydrophobicContact CE1-CD2 4.37Å; Y1624-H1643 AromaticContact CD1-CD2 3.65Å; Y1624-H1643 AromaticContact CD1-CE1 3.5Å; Y1624-H1643 VanDerWaalsContact CD1-CE1 3.46Å; Y1624-H1643 WeakPolarHBondContact CD1-CE1 3.34Å; Y1624-H1643 AromaticContact CD1-CG 4Å; Y1624-H1643 AromaticContact CD1-ND1 3.9Å; Y1624-H1643 AromaticContact CD1-NE2 3.41Å; Y1624-H1643 WeakPolarHBondContact CD1-NE2 3.12Å; Y1624-H1643 AromaticContact CD2-CE1 3.8Å; Y1624-H1643 AromaticContact CD2-NE2 3.74Å; Y1624-H1643 AromaticContact CE1-CE1 3.47Å; Y1624-H1643 VanDerWaalsContact CE1-CE1 3.43Å; Y1624-H1643 WeakPolarHBondContact CE1-CE1 3.32Å; Y1624-H1643 AromaticContact CE1-ND1 3.68Å; Y1624-H1643 AromaticContact CE1-NE2 3.96Å; Y1624-H1643 AromaticContact CE2-CE1 3.84Å; Y1624-H1643 AromaticContact CG-CD2 3.93Å; Y1624-H1643 AromaticContact CG-CE1 3.68Å; Y1624-H1643 AromaticContact CG-NE2 3.28Å; Y1624-H1643 VanDerWaalsContact CG-NE2 3.28Å; Y1624-H1643 AromaticContact CZ-CE1 3.85Å |
| 1625 | L | 76.1 | Confident | 68.3 | Low | 0.4 Ų | 0.4 | 70 Ų | 70 | 0% | 0.002 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.9 | -36.8 | 178.6 | -69.6 | 179.7 | 0 | 0 | 0 | 112.7 | I1584 I1587 I1588 L1591 V1621 S1623 C1628 L1629 V1637 L1639 | I1584-L1625 HydrophobicContact CD1-CD2 4.21Å; I1584-L1625 HydrophobicContact CG2-CB 3.93Å; I1584-L1625 HydrophobicContact CG2-CD1 4.42Å; I1584-L1625 HydrophobicContact CG2-CD2 4.03Å; I1584-L1625 HydrophobicContact CG2-CG 4.35Å; I1587-L1625 HydrophobicContact CB-CD1 4.29Å; I1587-L1625 HydrophobicContact CG2-CD1 3.84Å; I1588-L1625 VanDerWaalsContact CD1-C 3.45Å; I1588-L1625 HydrophobicContact CD1-CB 3.85Å; I1588-L1625 WeakPolarHBondContact CD1-O 3.41Å; I1588-L1625 HydrophobicContact CG1-CB 3.66Å; I1588-L1625 HydrophobicContact CG1-CD1 4.41Å; L1591-L1625 HydrophobicContact CD1-CD1 3.92Å; V1621-L1625 HydrophobicContact CG1-CD1 3.99Å; V1621-L1625 HydrophobicContact CG1-CG 4.26Å; V1621-L1625 WeakPolarHBondContact O-CB 3.39Å; V1621-L1625 VanDerWaalsContact O-CG 3.26Å; V1621-L1625 WeakPolarHBondContact O-CG 3.19Å; V1621-L1625 PolarHBondContact O-N 3.19Å; S1623-L1625 VanDerWaalsContact C-N 3.33Å; S1623-L1625 PolarHBondContact O-N 3.07Å; L1625-C1628 PolarHBondContact O-N 3.3Å; L1625-L1629 WeakPolarHBondContact O-CB 3.34Å; L1625-L1629 WeakPolarHBondContact O-CG 3.47Å; L1625-L1629 PolarHBondContact O-N 3.26Å; L1625-L1629 VanDerWaalsContact O-N 3.13Å; L1625-V1637 HydrophobicContact CD2-CG1 3.93Å; L1625-L1639 HydrophobicContact CD2-CD2 3.63Å |
| 1626 | V | 75.5 | Confident | 67.8 | Low | 42.2 Ų | 42.2 | 69.9 Ų | 69.9 | 26% | 0.256 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.8 | -42.5 | 173.9 | 167.1 | 0 | 0 | 0 | 0 | 111.1 | I1588 S1622 S1623 Y1624 C1628 L1629 N1630 | I1588-V1626 HydrophobicContact CD1-CB 4.45Å; I1588-V1626 HydrophobicContact CD1-CG2 3.88Å; I1588-V1626 HydrophobicContact CG1-CG2 4.28Å; I1588-V1626 HydrophobicContact CG2-CG2 3.72Å; S1622-V1626 WeakPolarHBondContact O-CB 3.34Å; S1622-V1626 VanDerWaalsContact O-CG2 3.3Å; S1622-V1626 WeakPolarHBondContact O-CG2 3.3Å; S1622-V1626 PolarHBondContact O-N 2.98Å; S1622-V1626 VanDerWaalsContact O-N 3.11Å; S1623-V1626 CarbonylContact O-C 3.59Å; S1623-V1626 WeakPolarHBondContact O-CB 3.3Å; S1623-V1626 PolarHBondContact O-N 3.06Å; Y1624-V1626 VanDerWaalsContact C-N 3.32Å; Y1624-V1626 PolarHBondContact O-N 3.33Å; V1626-C1628 VanDerWaalsContact C-N 3.33Å; V1626-C1628 PolarHBondContact O-N 3.3Å; V1626-L1629 PolarHBondContact O-N 3Å; V1626-N1630 WeakPolarHBondContact CG1-ND2 3.45Å; V1626-N1630 VanDerWaalsContact O-CB 3.25Å; V1626-N1630 WeakPolarHBondContact O-CB 3.35Å; V1626-N1630 VanDerWaalsContact O-CG 3.24Å; V1626-N1630 PolarHBondContact O-N 3.17Å; V1626-N1630 PolarHBondContact O-ND2 3.08Å; V1626-N1630 PolarHBondContact O-OD1 3.21Å |
| 1627 | E | 75.3 | Confident | 67.8 | Low | 134.8 Ų | 134.8 | 65.4 Ų | 65.4 | 63% | 0.63 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.1 | -42.9 | 176.4 | -138.2 | 173.6 | -171.6 | 0 | 0 | 111.6 | S1623 Y1624 L1629 N1630 A1631 | S1623-E1627 WeakPolarHBondContact O-CB 3.28Å; S1623-E1627 WeakPolarHBondContact O-CG 3.37Å; S1623-E1627 PolarHBondContact O-N 3.13Å; Y1624-E1627 WeakPolarHBondContact O-CB 3.27Å; Y1624-E1627 PolarHBondContact O-N 3.2Å; Y1624-E1627 VanDerWaalsContact O-N 3.15Å; E1627-L1629 PolarHBondContact O-N 2.96Å; E1627-N1630 CarbonylContact O-C 3.59Å; E1627-N1630 PolarHBondContact O-N 3.19Å; E1627-A1631 VanDerWaalsContact O-CB 3.23Å; E1627-A1631 WeakPolarHBondContact O-CB 3.37Å; E1627-A1631 PolarHBondContact O-N 3.18Å |
| 1628 | C | 68.5 | Low | 67.9 | Low | 28.8 Ų | 28.8 | 69.2 Ų | 69.2 | 20% | 0.195 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 175.3 | -68.3 | 0 | 0 | 0 | 0 | 112.8 | Y1624 L1625 V1626 N1630 A1631 N1632 V1637 | Y1624-C1628 VanDerWaalsContact CE2-SG 3.54Å; Y1624-C1628 VanDerWaalsContact CZ-SG 3.58Å; Y1624-C1628 WeakPolarHBondContact O-CB 3.28Å; Y1624-C1628 PolarHBondContact O-N 3.01Å; Y1624-C1628 PolarHBondContact O-SG 3.02Å; Y1624-C1628 VanDerWaalsContact O-SG 3.33Å; L1625-C1628 PolarHBondContact O-N 3.3Å; V1626-C1628 VanDerWaalsContact C-N 3.33Å; V1626-C1628 PolarHBondContact O-N 3.3Å; C1628-N1630 VanDerWaalsContact C-N 3.29Å; C1628-N1630 PolarHBondContact O-N 2.88Å; C1628-A1631 PolarHBondContact O-N 3.11Å; C1628-A1631 VanDerWaalsContact O-N 3.16Å; C1628-N1632 PolarHBondContact O-N 3.04Å; C1628-V1637 HydrophobicContact CB-CB 4.32Å; C1628-V1637 HydrophobicContact CB-CG1 3.63Å; C1628-V1637 HydrophobicContact CB-CG2 3.73Å; C1628-V1637 VanDerWaalsContact CB-CG2 3.49Å; C1628-V1637 VanDerWaalsContact SG-CG1 3.58Å |
| 1629 | L | 63 | Low | 67.9 | Low | 38.8 Ų | 38.8 | 69 Ų | 69 | 20% | 0.203 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.7 | -35 | 175.9 | -90.6 | -178.3 | 0 | 0 | 0 | 112.5 | S1581 I1584 A1585 I1588 L1625 V1626 E1627 A1631 N1632 S1633 V1637 | S1581-L1629 VanDerWaalsContact CB-CD2 3.45Å; I1584-L1629 HydrophobicContact CB-CD1 3.92Å; I1584-L1629 HydrophobicContact CB-CD2 4.42Å; I1584-L1629 HydrophobicContact CB-CG 4.32Å; I1584-L1629 HydrophobicContact CG2-CD1 3.93Å; I1584-L1629 HydrophobicContact CG2-CD2 4.25Å; I1584-L1629 HydrophobicContact CG2-CG 4.15Å; A1585-L1629 HydrophobicContact CB-CD1 4.18Å; I1588-L1629 HydrophobicContact CD1-CB 4.45Å; I1588-L1629 HydrophobicContact CD1-CD1 3.57Å; I1588-L1629 VanDerWaalsContact CD1-CD1 3.47Å; I1588-L1629 HydrophobicContact CD1-CG 4.06Å; L1625-L1629 WeakPolarHBondContact O-CB 3.34Å; L1625-L1629 WeakPolarHBondContact O-CG 3.47Å; L1625-L1629 PolarHBondContact O-N 3.26Å; L1625-L1629 VanDerWaalsContact O-N 3.13Å; V1626-L1629 PolarHBondContact O-N 3Å; E1627-L1629 PolarHBondContact O-N 2.96Å; L1629-A1631 VanDerWaalsContact C-N 3.32Å; L1629-N1632 CarbonylContact O-C 3.58Å; L1629-S1633 VanDerWaalsContact O-CA 3.27Å; L1629-S1633 WeakPolarHBondContact O-CA 3.41Å; L1629-S1633 WeakPolarHBondContact O-CB 3.41Å; L1629-S1633 PolarHBondContact O-N 3.24Å; L1629-V1637 HydrophobicContact CD2-CG2 4.29Å |
| 1630 | N | 68.5 | Low | 67.9 | Low | 127 Ų | 127 | 66 Ų | 66 | 68% | 0.679 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -71.8 | -32.8 | 175.5 | -71.8 | -18.9 | 0 | 0 | 0 | 112.4 | V1626 E1627 C1628 | V1626-N1630 WeakPolarHBondContact CG1-ND2 3.45Å; V1626-N1630 VanDerWaalsContact O-CB 3.25Å; V1626-N1630 WeakPolarHBondContact O-CB 3.35Å; V1626-N1630 VanDerWaalsContact O-CG 3.24Å; V1626-N1630 PolarHBondContact O-N 3.17Å; V1626-N1630 PolarHBondContact O-ND2 3.08Å; V1626-N1630 PolarHBondContact O-OD1 3.21Å; E1627-N1630 CarbonylContact O-C 3.59Å; E1627-N1630 PolarHBondContact O-N 3.19Å; C1628-N1630 VanDerWaalsContact C-N 3.29Å; C1628-N1630 PolarHBondContact O-N 2.88Å |
| 1631 | A | 62 | Low | 67.4 | Low | 70.6 Ų | 70.6 | 61.9 Ų | 61.9 | 58% | 0.583 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -75.3 | -40 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | E1627 C1628 L1629 | E1627-A1631 VanDerWaalsContact O-CB 3.23Å; E1627-A1631 WeakPolarHBondContact O-CB 3.37Å; E1627-A1631 PolarHBondContact O-N 3.18Å; C1628-A1631 PolarHBondContact O-N 3.11Å; C1628-A1631 VanDerWaalsContact O-N 3.16Å; L1629-A1631 VanDerWaalsContact C-N 3.32Å |
| 1632 | N | 56.5 | Low | 67.1 | Low | 87.4 Ų | 87.4 | 65.2 Ų | 65.2 | 47% | 0.467 | 36% | 0.355 | S | S | . | . | trans | -160.7 | 102.6 | 170 | -84 | -87.5 | 0 | 0 | 0 | 110 | C1628 L1629 E1634 K1635 | C1628-N1632 PolarHBondContact O-N 3.04Å; L1629-N1632 CarbonylContact O-C 3.58Å; N1632-E1634 PolarHBondContact O-N 3.23Å; N1632-E1634 VanDerWaalsContact O-N 3.09Å; N1632-K1635 HydrophobicContact CB-CB 4.08Å; N1632-K1635 HydrophobicContact CB-CD 3.85Å; N1632-K1635 HydrophobicContact CB-CG 4Å; N1632-K1635 VanDerWaalsContact CG-NZ 3.31Å; N1632-K1635 PolarHBondContact ND2-NZ 3.15Å; N1632-K1635 PolarHBondContact O-N 2.99Å; N1632-K1635 VanDerWaalsContact OD1-CE 3.23Å; N1632-K1635 WeakPolarHBondContact OD1-CE 3.17Å; N1632-K1635 PolarHBondContact OD1-NZ 3.12Å | ||
| 1633 | S | 51.1 | Low | 67 | Low | 72.4 Ų | 72.4 | 65.9 Ų | 65.9 | 51% | 0.506 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -8.8 | -175.6 | 57.9 | 0 | 0 | 0 | 0 | 115.8 | S1581 L1629 | S1581-S1633 WeakPolarHBondContact CB-O 3.44Å; S1581-S1633 PolarHBondContact OG-O 3.31Å; L1629-S1633 VanDerWaalsContact O-CA 3.27Å; L1629-S1633 WeakPolarHBondContact O-CA 3.41Å; L1629-S1633 WeakPolarHBondContact O-CB 3.41Å; L1629-S1633 PolarHBondContact O-N 3.24Å |
| 1634 | E | 46.6 | Very low | 66.6 | Low | 144.4 Ų | 144.4 | 63.5 Ų | 63.5 | 68% | 0.675 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -6.3 | -176.7 | -66.9 | 172.6 | 162 | 0 | 0 | 113.5 | D1398 K1403 N1632 | D1398-E1634 HydrophobicContact CB-CB 3.64Å; D1398-E1634 HydrophobicContact CB-CG 4.36Å; D1398-E1634 WeakPolarHBondContact OD1-CB 3.44Å; K1403-E1634 WeakPolarHBondContact CE-OE1 3.5Å; K1403-E1634 IonicContact NZ-OE1 3.33Å; K1403-E1634 PolarHBondContact NZ-OE1 3.03Å; K1403-E1634 IonicContact NZ-OE2 3.52Å; K1403-E1634 PolarHBondContact NZ-OE2 3.21Å; N1632-E1634 PolarHBondContact O-N 3.23Å; N1632-E1634 VanDerWaalsContact O-N 3.09Å |
| 1635 | K | 51.4 | Low | 66.2 | Low | 116.6 Ų | 116.6 | 64.3 Ų | 64.3 | 51% | 0.507 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -95.1 | 142.8 | 178.2 | -69.4 | -178.2 | -176.7 | 161.5 | 0 | 110.8 | T1397 D1398 N1632 V1637 | T1397-K1635 VanDerWaalsContact CB-CE 3.5Å; T1397-K1635 WeakPolarHBondContact OG1-CE 3.45Å; D1398-K1635 WeakPolarHBondContact OD1-CG 3.37Å; D1398-K1635 PolarHBondContact OD1-N 3.04Å; N1632-K1635 HydrophobicContact CB-CB 4.08Å; N1632-K1635 HydrophobicContact CB-CD 3.85Å; N1632-K1635 HydrophobicContact CB-CG 4Å; N1632-K1635 VanDerWaalsContact CG-NZ 3.31Å; N1632-K1635 PolarHBondContact ND2-NZ 3.15Å; N1632-K1635 PolarHBondContact O-N 2.99Å; N1632-K1635 VanDerWaalsContact OD1-CE 3.23Å; N1632-K1635 WeakPolarHBondContact OD1-CE 3.17Å; N1632-K1635 PolarHBondContact OD1-NZ 3.12Å; K1635-V1637 PolarHBondContact O-N 3.21Å |
| 1636 | P | 55.5 | Low | 66.2 | Low | 63.2 Ų | 63.2 | 64.8 Ų | 64.8 | 41% | 0.41 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 139.2 | 174 | 29.2 | -34.7 | 0 | 0 | 0 | 110.3 | F1578 V1579 | F1578-P1636 HydrophobicContact CB-CB 4.16Å; F1578-P1636 HydrophobicContact CB-CG 4.33Å; F1578-P1636 HydrophobicContact CD1-CG 4.39Å; V1579-P1636 CarbonylContact O-C 3.41Å; V1579-P1636 VanDerWaalsContact O-CA 3.31Å; V1579-P1636 WeakPolarHBondContact O-CA 3.4Å |
| 1637 | V | 67.8 | Low | 66.3 | Low | 8 Ų | 8 | 62.9 Ų | 62.9 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 132.2 | -175.3 | 178 | 0 | 0 | 0 | 0 | 110 | F1578 V1579 I1584 Y1624 L1625 C1628 L1629 K1635 L1639 | F1578-V1637 CarbonylContact C-O 3.56Å; F1578-V1637 WeakPolarHBondContact CA-O 3.34Å; V1579-V1637 PolarHBondContact N-O 3.2Å; V1579-V1637 PolarHBondContact O-N 3.18Å; I1584-V1637 HydrophobicContact CB-CG2 4.49Å; I1584-V1637 HydrophobicContact CD1-CB 4.09Å; I1584-V1637 HydrophobicContact CD1-CG1 4.3Å; I1584-V1637 HydrophobicContact CD1-CG2 3.2Å; I1584-V1637 HydrophobicContact CG1-CB 3.93Å; I1584-V1637 HydrophobicContact CG1-CG2 3.86Å; I1584-V1637 HydrophobicContact CG2-CG2 4.39Å; Y1624-V1637 HydrophobicContact CE1-CG1 4.16Å; L1625-V1637 HydrophobicContact CD2-CG1 3.93Å; C1628-V1637 HydrophobicContact CB-CB 4.32Å; C1628-V1637 HydrophobicContact CB-CG1 3.63Å; C1628-V1637 HydrophobicContact CB-CG2 3.73Å; C1628-V1637 VanDerWaalsContact CB-CG2 3.49Å; C1628-V1637 VanDerWaalsContact SG-CG1 3.58Å; L1629-V1637 HydrophobicContact CD2-CG2 4.29Å; K1635-V1637 PolarHBondContact O-N 3.21Å; V1637-L1639 HydrophobicContact CG1-CD2 4.26Å; V1637-L1639 PolarHBondContact O-N 2.97Å |
| 1638 | R | 70.5 | Confident | 66.1 | Low | 127.8 Ų | 127.8 | 58.2 Ų | 58.2 | 48% | 0.482 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 114.7 | 178 | -174.4 | 177.2 | 178 | 171.2 | 2 | 110.1 | D1576 F1578 Y1624 | D1576-R1638 HydrophobicContact CB-CG 4.15Å; D1576-R1638 VanDerWaalsContact OD1-CG 3.23Å; D1576-R1638 WeakPolarHBondContact OD1-CG 3.24Å; D1576-R1638 IonicContact OD1-CZ 3.64Å; D1576-R1638 IonicContact OD1-NE 3.29Å; D1576-R1638 PolarHBondContact OD1-NE 3.32Å; D1576-R1638 VanDerWaalsContact OD1-NE 3.11Å; D1576-R1638 IonicContact OD1-NH2 2.98Å; D1576-R1638 IonicContact OD2-CZ 3.1Å; D1576-R1638 VanDerWaalsContact OD2-CZ 3.28Å; D1576-R1638 IonicContact OD2-NE 3.27Å; D1576-R1638 PolarHBondContact OD2-NE 3.12Å; D1576-R1638 VanDerWaalsContact OD2-NE 3.12Å; D1576-R1638 IonicContact OD2-NH2 3.16Å; D1576-R1638 PolarHBondContact OD2-NH2 3.27Å; F1578-R1638 HydrophobicContact CD1-CB 4.18Å; F1578-R1638 HydrophobicContact CD1-CG 4.38Å; F1578-R1638 HydrophobicContact CE1-CB 3.78Å; F1578-R1638 HydrophobicContact CE1-CG 4.07Å; F1578-R1638 HydrophobicContact CE2-CG 4.25Å; F1578-R1638 HydrophobicContact CZ-CB 4.25Å; F1578-R1638 HydrophobicContact CZ-CG 4.02Å; Y1624-R1638 WeakPolarHBondContact CE1-O 3.22Å; Y1624-R1638 VanDerWaalsContact CZ-O 3.28Å; Y1624-R1638 PolarHBondContact OH-O 3.21Å; Y1624-R1638 VanDerWaalsContact OH-O 3.12Å |
| 1639 | L | 72.3 | Confident | 66.3 | Low | 0.6 Ų | 0.6 | 61 Ų | 61 | 0% | 0.003 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 117.2 | 170 | -57.1 | -174.5 | 0 | 0 | 0 | 108.9 | D1576 L1577 V1579 I1584 Y1624 L1625 V1637 H1643 I1644 L1647 L1666 | D1576-L1639 CarbonylContact C-O 3.57Å; D1576-L1639 VanDerWaalsContact CA-O 3.26Å; D1576-L1639 WeakPolarHBondContact CA-O 3.28Å; L1577-L1639 HydrophobicContact CB-CB 4.46Å; L1577-L1639 PolarHBondContact N-O 3.23Å; L1577-L1639 WeakPolarHBondContact O-CB 3.49Å; L1577-L1639 PolarHBondContact O-N 3.1Å; V1579-L1639 HydrophobicContact CB-CD1 4.22Å; V1579-L1639 HydrophobicContact CB-CG 4.34Å; V1579-L1639 HydrophobicContact CG2-CD1 3.6Å; V1579-L1639 VanDerWaalsContact CG2-CD1 3.49Å; V1579-L1639 HydrophobicContact CG2-CG 4.05Å; I1584-L1639 HydrophobicContact CD1-CD1 4.29Å; I1584-L1639 HydrophobicContact CD1-CD2 4.19Å; Y1624-L1639 HydrophobicContact CE1-CD2 4.37Å; L1625-L1639 HydrophobicContact CD2-CD2 3.63Å; V1637-L1639 HydrophobicContact CG1-CD2 4.26Å; V1637-L1639 PolarHBondContact O-N 2.97Å; L1639-H1643 HydrophobicContact CB-CB 4.17Å; L1639-H1643 HydrophobicContact CD2-CB 4.23Å; L1639-H1643 HydrophobicContact CG-CB 4.48Å; L1639-I1644 HydrophobicContact CB-CD1 4.37Å; L1639-I1644 HydrophobicContact CB-CG1 4.05Å; L1639-I1644 HydrophobicContact CD1-CG1 4.44Å; L1639-I1644 WeakPolarHBondContact O-CD1 3.47Å; L1639-L1647 HydrophobicContact CD1-CD1 4.06Å; L1639-L1647 HydrophobicContact CD2-CD1 4.5Å; L1639-L1666 HydrophobicContact CD1-CD1 4.19Å |
| 1640 | N | 73.8 | Confident | 66.6 | Low | 38.8 Ų | 38.8 | 59.6 Ų | 59.6 | 21% | 0.207 | 32% | 0.319 | C | S | . | . | trans | -77 | 174.3 | 171.3 | 70.8 | 7.3 | 0 | 0 | 0 | 110.9 | N1575 D1576 T1642 H1643 I1644 | N1575-N1640 CarbonylContact O-C 3.44Å; D1576-N1640 VanDerWaalsContact OD1-CA 3.26Å; D1576-N1640 WeakPolarHBondContact OD1-CA 3.45Å; D1576-N1640 WeakPolarHBondContact OD1-CB 3.39Å; N1640-T1642 VanDerWaalsContact C-N 3.29Å; N1640-T1642 PolarHBondContact ND2-OG1 3.1Å; N1640-T1642 VanDerWaalsContact ND2-OG1 3.07Å; N1640-T1642 PolarHBondContact O-N 3.24Å; N1640-T1642 WeakPolarHBondContact OD1-CA 3.27Å; N1640-T1642 WeakPolarHBondContact OD1-CB 3.2Å; N1640-T1642 PolarHBondContact OD1-N 3.3Å; N1640-T1642 VanDerWaalsContact OD1-N 3.12Å; N1640-T1642 PolarHBondContact OD1-OG1 3.12Å; N1640-H1643 VanDerWaalsContact CG-ND1 3.29Å; N1640-H1643 PolarHBondContact N-ND1 3.42Å; N1640-H1643 WeakPolarHBondContact O-CB 3.49Å; N1640-H1643 PolarHBondContact O-N 3.12Å; N1640-H1643 VanDerWaalsContact O-N 3.12Å; N1640-H1643 WeakPolarHBondContact OD1-CB 2.76Å; N1640-H1643 PolarHBondContact OD1-CD2 3.11Å; N1640-H1643 VanDerWaalsContact OD1-CD2 3.29Å; N1640-H1643 PolarHBondContact OD1-CE1 2.71Å; N1640-H1643 VanDerWaalsContact OD1-CG 3.25Å; N1640-H1643 PolarHBondContact OD1-N 3.21Å; N1640-H1643 PolarHBondContact OD1-ND1 3.18Å; N1640-I1644 WeakPolarHBondContact O-CD1 3.42Å; N1640-I1644 VanDerWaalsContact O-CG1 3.26Å; N1640-I1644 WeakPolarHBondContact O-CG1 3.42Å; N1640-I1644 PolarHBondContact O-N 3.21Å; N1640-I1644 VanDerWaalsContact O-N 3.14Å | ||
| 1641 | S | 65.6 | Low | 66.8 | Low | 42.6 Ų | 42.6 | 53.9 Ų | 53.9 | 30% | 0.298 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -49.8 | -44.4 | 176 | 54.8 | 0 | 0 | 0 | 0 | 113 | E1574 N1575 H1643 I1644 D1645 | E1574-S1641 WeakPolarHBondContact OE1-CB 3.07Å; E1574-S1641 PolarHBondContact OE1-OG 2.72Å; E1574-S1641 PolarHBondContact OE2-OG 2.94Å; N1575-S1641 WeakPolarHBondContact O-CA 3.18Å; N1575-S1641 PolarHBondContact O-N 2.91Å; S1641-H1643 PolarHBondContact O-N 3.11Å; S1641-I1644 PolarHBondContact O-N 3.05Å; S1641-I1644 VanDerWaalsContact O-N 3.15Å; S1641-D1645 WeakPolarHBondContact O-CB 3.2Å; S1641-D1645 PolarHBondContact O-N 2.98Å |
| 1642 | T | 70.3 | Confident | 67 | Low | 76.4 Ų | 76.4 | 55.9 Ų | 55.9 | 47% | 0.469 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.1 | -38 | -177.9 | 53.3 | 0 | 0 | 0 | 0 | 112.4 | N1640 I1644 D1645 L1646 | N1640-T1642 VanDerWaalsContact C-N 3.29Å; N1640-T1642 PolarHBondContact ND2-OG1 3.1Å; N1640-T1642 VanDerWaalsContact ND2-OG1 3.07Å; N1640-T1642 PolarHBondContact O-N 3.24Å; N1640-T1642 WeakPolarHBondContact OD1-CA 3.27Å; N1640-T1642 WeakPolarHBondContact OD1-CB 3.2Å; N1640-T1642 PolarHBondContact OD1-N 3.3Å; N1640-T1642 VanDerWaalsContact OD1-N 3.12Å; N1640-T1642 PolarHBondContact OD1-OG1 3.12Å; T1642-I1644 PolarHBondContact O-N 3.02Å; T1642-D1645 PolarHBondContact O-N 3.15Å; T1642-L1646 HydrophobicContact CG2-CD1 3.79Å; T1642-L1646 HydrophobicContact CG2-CG 4.44Å; T1642-L1646 VanDerWaalsContact O-CB 3.32Å; T1642-L1646 WeakPolarHBondContact O-CB 3.26Å; T1642-L1646 VanDerWaalsContact O-CD1 3.24Å; T1642-L1646 WeakPolarHBondContact O-CD1 3.45Å; T1642-L1646 WeakPolarHBondContact O-CG 3.31Å; T1642-L1646 PolarHBondContact O-N 3.04Å; T1642-L1646 VanDerWaalsContact O-N 3.13Å |
| 1643 | H | 76.2 | Confident | 67.3 | Low | 23.2 Ų | 23.2 | 54.8 Ų | 54.8 | 11% | 0.107 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 173.4 | -61.2 | 156.4 | 0 | 0 | 0 | 111.4 | Y1624 L1639 N1640 S1641 L1646 L1647 | Y1624-H1643 AromaticContact CD1-CD2 3.65Å; Y1624-H1643 AromaticContact CD1-CE1 3.5Å; Y1624-H1643 VanDerWaalsContact CD1-CE1 3.46Å; Y1624-H1643 WeakPolarHBondContact CD1-CE1 3.34Å; Y1624-H1643 AromaticContact CD1-CG 4Å; Y1624-H1643 AromaticContact CD1-ND1 3.9Å; Y1624-H1643 AromaticContact CD1-NE2 3.41Å; Y1624-H1643 WeakPolarHBondContact CD1-NE2 3.12Å; Y1624-H1643 AromaticContact CD2-CE1 3.8Å; Y1624-H1643 AromaticContact CD2-NE2 3.74Å; Y1624-H1643 AromaticContact CE1-CE1 3.47Å; Y1624-H1643 VanDerWaalsContact CE1-CE1 3.43Å; Y1624-H1643 WeakPolarHBondContact CE1-CE1 3.32Å; Y1624-H1643 AromaticContact CE1-ND1 3.68Å; Y1624-H1643 AromaticContact CE1-NE2 3.96Å; Y1624-H1643 AromaticContact CE2-CE1 3.84Å; Y1624-H1643 AromaticContact CG-CD2 3.93Å; Y1624-H1643 AromaticContact CG-CE1 3.68Å; Y1624-H1643 AromaticContact CG-NE2 3.28Å; Y1624-H1643 VanDerWaalsContact CG-NE2 3.28Å; Y1624-H1643 AromaticContact CZ-CE1 3.85Å; L1639-H1643 HydrophobicContact CB-CB 4.17Å; L1639-H1643 HydrophobicContact CD2-CB 4.23Å; L1639-H1643 HydrophobicContact CG-CB 4.48Å; N1640-H1643 VanDerWaalsContact CG-ND1 3.29Å; N1640-H1643 PolarHBondContact N-ND1 3.42Å; N1640-H1643 WeakPolarHBondContact O-CB 3.49Å; N1640-H1643 PolarHBondContact O-N 3.12Å; N1640-H1643 VanDerWaalsContact O-N 3.12Å; N1640-H1643 WeakPolarHBondContact OD1-CB 2.76Å; N1640-H1643 PolarHBondContact OD1-CD2 3.11Å; N1640-H1643 VanDerWaalsContact OD1-CD2 3.29Å; N1640-H1643 PolarHBondContact OD1-CE1 2.71Å; N1640-H1643 VanDerWaalsContact OD1-CG 3.25Å; N1640-H1643 PolarHBondContact OD1-N 3.21Å; N1640-H1643 PolarHBondContact OD1-ND1 3.18Å; S1641-H1643 PolarHBondContact O-N 3.11Å; H1643-L1646 PolarHBondContact O-N 3.16Å; H1643-L1647 WeakPolarHBondContact O-CB 3.29Å; H1643-L1647 VanDerWaalsContact O-CG 3.27Å; H1643-L1647 WeakPolarHBondContact O-CG 3.34Å; H1643-L1647 PolarHBondContact O-N 2.95Å; H1643-L1647 VanDerWaalsContact O-N 3.08Å |
| 1644 | I | 71.6 | Confident | 67.8 | Low | 18 Ų | 18 | 53.1 Ų | 53.1 | 9% | 0.092 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.4 | -45.4 | 179.2 | -65.4 | 161.9 | 0 | 0 | 0 | 110.9 | N1575 L1577 L1639 N1640 S1641 T1642 L1646 L1647 N1648 L1670 | N1575-I1644 WeakPolarHBondContact O-CD1 3.21Å; L1577-I1644 HydrophobicContact CB-CD1 3.7Å; L1577-I1644 HydrophobicContact CB-CG1 4.05Å; L1577-I1644 HydrophobicContact CD2-CD1 4.36Å; L1639-I1644 HydrophobicContact CB-CD1 4.37Å; L1639-I1644 HydrophobicContact CB-CG1 4.05Å; L1639-I1644 HydrophobicContact CD1-CG1 4.44Å; L1639-I1644 WeakPolarHBondContact O-CD1 3.47Å; N1640-I1644 WeakPolarHBondContact O-CD1 3.42Å; N1640-I1644 VanDerWaalsContact O-CG1 3.26Å; N1640-I1644 WeakPolarHBondContact O-CG1 3.42Å; N1640-I1644 PolarHBondContact O-N 3.21Å; N1640-I1644 VanDerWaalsContact O-N 3.14Å; S1641-I1644 PolarHBondContact O-N 3.05Å; S1641-I1644 VanDerWaalsContact O-N 3.15Å; T1642-I1644 PolarHBondContact O-N 3.02Å; I1644-L1646 VanDerWaalsContact C-N 3.33Å; I1644-L1646 PolarHBondContact O-N 3.22Å; I1644-L1647 PolarHBondContact O-N 3.29Å; I1644-N1648 VanDerWaalsContact O-CB 3.32Å; I1644-N1648 WeakPolarHBondContact O-CB 3.44Å; I1644-N1648 PolarHBondContact O-N 3.03Å; I1644-N1648 PolarHBondContact O-ND2 3.02Å; I1644-L1670 HydrophobicContact CD1-CD2 4.16Å; I1644-L1670 HydrophobicContact CG1-CD2 4.15Å; I1644-L1670 HydrophobicContact CG2-CD1 4.01Å; I1644-L1670 HydrophobicContact CG2-CD2 4.06Å |
| 1645 | D | 71.6 | Confident | 68 | Low | 87.4 Ų | 87.4 | 53.6 Ų | 53.6 | 47% | 0.467 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 178.8 | -92.9 | 2.4 | 0 | 0 | 0 | 111.9 | S1641 T1642 N1648 K1649 | S1641-D1645 WeakPolarHBondContact O-CB 3.2Å; S1641-D1645 PolarHBondContact O-N 2.98Å; T1642-D1645 PolarHBondContact O-N 3.15Å; D1645-N1648 PolarHBondContact O-N 2.76Å; D1645-K1649 VanDerWaalsContact O-CB 3.25Å; D1645-K1649 WeakPolarHBondContact O-CB 3.34Å; D1645-K1649 WeakPolarHBondContact O-CD 3.36Å; D1645-K1649 VanDerWaalsContact O-CG 3.24Å; D1645-K1649 WeakPolarHBondContact O-CG 3.25Å; D1645-K1649 PolarHBondContact O-N 3.04Å; D1645-K1649 WeakPolarHBondContact OD2-CE 3.43Å; D1645-K1649 IonicContact OD2-NZ 2.63Å; D1645-K1649 PolarHBondContact OD2-NZ 3.36Å |
| 1646 | L | 77.1 | Confident | 68.2 | Low | 11.8 Ų | 11.8 | 50.3 Ų | 50.3 | 6% | 0.062 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 175 | -162.5 | 82.9 | 0 | 0 | 0 | 111.1 | Y1613 D1617 V1618 V1621 T1642 H1643 I1644 N1648 K1649 L1650 | Y1613-L1646 HydrophobicContact CD1-CD1 4.05Å; Y1613-L1646 HydrophobicContact CD2-CD1 4.16Å; Y1613-L1646 HydrophobicContact CE1-CD1 4.35Å; Y1613-L1646 HydrophobicContact CG-CD1 3.84Å; D1617-L1646 HydrophobicContact CB-CD1 4.27Å; D1617-L1646 HydrophobicContact CB-CD2 4.02Å; D1617-L1646 VanDerWaalsContact CB-CD2 3.47Å; D1617-L1646 VanDerWaalsContact CG-CD2 3.46Å; D1617-L1646 WeakPolarHBondContact OD1-CD2 2.93Å; V1618-L1646 HydrophobicContact CG2-CD1 4.42Å; V1621-L1646 HydrophobicContact CB-CD2 3.97Å; V1621-L1646 HydrophobicContact CG2-CB 3.47Å; V1621-L1646 VanDerWaalsContact CG2-CB 3.47Å; V1621-L1646 HydrophobicContact CG2-CD1 3.69Å; V1621-L1646 HydrophobicContact CG2-CD2 3.54Å; V1621-L1646 VanDerWaalsContact CG2-CD2 3.49Å; V1621-L1646 HydrophobicContact CG2-CG 4.2Å; T1642-L1646 HydrophobicContact CG2-CD1 3.79Å; T1642-L1646 HydrophobicContact CG2-CG 4.44Å; T1642-L1646 VanDerWaalsContact O-CB 3.32Å; T1642-L1646 WeakPolarHBondContact O-CB 3.26Å; T1642-L1646 VanDerWaalsContact O-CD1 3.24Å; T1642-L1646 WeakPolarHBondContact O-CD1 3.45Å; T1642-L1646 WeakPolarHBondContact O-CG 3.31Å; T1642-L1646 PolarHBondContact O-N 3.04Å; T1642-L1646 VanDerWaalsContact O-N 3.13Å; H1643-L1646 PolarHBondContact O-N 3.16Å; I1644-L1646 VanDerWaalsContact C-N 3.33Å; I1644-L1646 PolarHBondContact O-N 3.22Å; L1646-N1648 PolarHBondContact O-N 3.14Å; L1646-K1649 PolarHBondContact O-N 3.07Å; L1646-L1650 HydrophobicContact CD1-CD1 4.38Å; L1646-L1650 HydrophobicContact CD1-CG 4.49Å; L1646-L1650 HydrophobicContact CD2-CD1 4.49Å; L1646-L1650 HydrophobicContact CG-CD1 4.01Å; L1646-L1650 HydrophobicContact CG-CG 4.46Å; L1646-L1650 WeakPolarHBondContact O-CB 3.19Å; L1646-L1650 WeakPolarHBondContact O-CD1 3.11Å; L1646-L1650 VanDerWaalsContact O-CG 3.26Å; L1646-L1650 WeakPolarHBondContact O-CG 3.14Å; L1646-L1650 PolarHBondContact O-N 3.09Å |
| 1647 | L | 76.3 | Confident | 67.7 | Low | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63 | -44.9 | 177.9 | -73.5 | 172.6 | 0 | 0 | 0 | 111.8 | I1587 L1591 V1621 L1639 H1643 I1644 K1649 L1650 F1651 L1666 | I1587-L1647 HydrophobicContact CD1-CD1 4.4Å; I1587-L1647 HydrophobicContact CG2-CD1 4.18Å; I1587-L1647 HydrophobicContact CG2-CD2 3.58Å; I1587-L1647 VanDerWaalsContact CG2-CD2 3.49Å; I1587-L1647 HydrophobicContact CG2-CG 4.46Å; L1591-L1647 HydrophobicContact CD1-CD2 4.32Å; L1591-L1647 HydrophobicContact CD2-CD2 4.28Å; L1591-L1647 HydrophobicContact CG-CD2 4.42Å; V1621-L1647 HydrophobicContact CG1-CD1 4.38Å; V1621-L1647 HydrophobicContact CG1-CD2 3.82Å; V1621-L1647 HydrophobicContact CG1-CG 3.91Å; L1639-L1647 HydrophobicContact CD1-CD1 4.06Å; L1639-L1647 HydrophobicContact CD2-CD1 4.5Å; H1643-L1647 WeakPolarHBondContact O-CB 3.29Å; H1643-L1647 VanDerWaalsContact O-CG 3.27Å; H1643-L1647 WeakPolarHBondContact O-CG 3.34Å; H1643-L1647 PolarHBondContact O-N 2.95Å; H1643-L1647 VanDerWaalsContact O-N 3.08Å; I1644-L1647 PolarHBondContact O-N 3.29Å; L1647-K1649 VanDerWaalsContact C-N 3.33Å; L1647-K1649 PolarHBondContact O-N 3.18Å; L1647-L1650 CarbonylContact O-C 3.58Å; L1647-L1650 WeakPolarHBondContact O-CB 3.01Å; L1647-L1650 PolarHBondContact O-N 3.2Å; L1647-L1650 VanDerWaalsContact O-N 3.14Å; L1647-F1651 HydrophobicContact CB-CD2 4.36Å; L1647-F1651 HydrophobicContact CB-CE2 3.93Å; L1647-F1651 HydrophobicContact CB-CZ 4.39Å; L1647-F1651 HydrophobicContact CD2-CE2 4.14Å; L1647-F1651 HydrophobicContact CD2-CZ 4.07Å; L1647-F1651 HydrophobicContact CG-CE2 4.36Å; L1647-F1651 WeakPolarHBondContact O-CB 3.21Å; L1647-F1651 VanDerWaalsContact O-CD2 3.22Å; L1647-F1651 WeakPolarHBondContact O-CD2 3.34Å; L1647-F1651 VanDerWaalsContact O-CG 3.25Å; L1647-F1651 WeakPolarHBondContact O-CG 3.31Å; L1647-F1651 PolarHBondContact O-N 3.13Å; L1647-L1666 HydrophobicContact CB-CD2 3.99Å; L1647-L1666 HydrophobicContact CD1-CD1 4.42Å; L1647-L1666 HydrophobicContact CD1-CD2 4.25Å |
| 1648 | N | 72.6 | Confident | 66.7 | Low | 36.8 Ų | 36.8 | 54.1 Ų | 54.1 | 20% | 0.197 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 176.3 | -85.7 | -38.7 | 0 | 0 | 0 | 112 | I1644 D1645 L1646 L1650 F1651 I1652 K1663 | I1644-N1648 VanDerWaalsContact O-CB 3.32Å; I1644-N1648 WeakPolarHBondContact O-CB 3.44Å; I1644-N1648 PolarHBondContact O-N 3.03Å; I1644-N1648 PolarHBondContact O-ND2 3.02Å; D1645-N1648 PolarHBondContact O-N 2.76Å; L1646-N1648 PolarHBondContact O-N 3.14Å; N1648-L1650 VanDerWaalsContact C-N 3.31Å; N1648-L1650 PolarHBondContact O-N 2.92Å; N1648-F1651 PolarHBondContact O-N 2.96Å; N1648-I1652 HydrophobicContact CB-CD1 4.45Å; N1648-I1652 WeakPolarHBondContact O-CB 3.41Å; N1648-I1652 WeakPolarHBondContact O-CD1 3.42Å; N1648-I1652 VanDerWaalsContact O-CG1 3.23Å; N1648-I1652 WeakPolarHBondContact O-CG1 3.26Å; N1648-I1652 PolarHBondContact O-N 3.17Å; N1648-I1652 VanDerWaalsContact O-N 3.07Å; N1648-K1663 VanDerWaalsContact OD1-CE 3.23Å; N1648-K1663 WeakPolarHBondContact OD1-CE 3.41Å; N1648-K1663 PolarHBondContact OD1-NZ 2.98Å |
| 1649 | K | 71.9 | Confident | 65.9 | Low | 86.8 Ų | 86.8 | 48.7 Ų | 48.7 | 38% | 0.377 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 174.9 | -74 | 167.2 | 179.6 | -178 | 0 | 111.8 | D1612 Y1613 D1645 L1646 L1647 A1653 | D1612-K1649 HydrophobicContact CB-CD 4.25Å; D1612-K1649 WeakPolarHBondContact O-CD 3.36Å; D1612-K1649 WeakPolarHBondContact O-CE 3.22Å; D1612-K1649 PolarHBondContact O-NZ 3.12Å; Y1613-K1649 HydrophobicContact CD1-CB 3.92Å; Y1613-K1649 HydrophobicContact CD1-CD 4.26Å; Y1613-K1649 HydrophobicContact CD2-CD 4.3Å; Y1613-K1649 HydrophobicContact CE1-CB 4.02Å; Y1613-K1649 HydrophobicContact CE2-CD 3.53Å; Y1613-K1649 PolarHBondContact OH-NZ 2.89Å; D1645-K1649 VanDerWaalsContact O-CB 3.25Å; D1645-K1649 WeakPolarHBondContact O-CB 3.34Å; D1645-K1649 WeakPolarHBondContact O-CD 3.36Å; D1645-K1649 VanDerWaalsContact O-CG 3.24Å; D1645-K1649 WeakPolarHBondContact O-CG 3.25Å; D1645-K1649 PolarHBondContact O-N 3.04Å; D1645-K1649 WeakPolarHBondContact OD2-CE 3.43Å; D1645-K1649 IonicContact OD2-NZ 2.63Å; D1645-K1649 PolarHBondContact OD2-NZ 3.36Å; L1646-K1649 PolarHBondContact O-N 3.07Å; L1647-K1649 VanDerWaalsContact C-N 3.33Å; L1647-K1649 PolarHBondContact O-N 3.18Å; K1649-A1653 VanDerWaalsContact O-CB 3.31Å; K1649-A1653 WeakPolarHBondContact O-CB 3.4Å; K1649-A1653 PolarHBondContact O-N 2.94Å; K1649-A1653 VanDerWaalsContact O-N 3.17Å |
| 1650 | L | 70.4 | Confident | 64.9 | Low | 9.6 Ų | 9.6 | 51.4 Ų | 51.4 | 5% | 0.05 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 177 | -72.7 | 167.2 | 0 | 0 | 0 | 112.4 | Y1590 L1591 Y1613 V1618 L1646 L1647 N1648 I1652 A1653 D1654 | Y1590-L1650 HydrophobicContact CE1-CB 4.1Å; Y1590-L1650 PolarHBondContact OH-O 3.19Å; Y1590-L1650 VanDerWaalsContact OH-O 3.06Å; L1591-L1650 HydrophobicContact CD2-CD1 3.62Å; Y1613-L1650 HydrophobicContact CD1-CD2 4.23Å; Y1613-L1650 HydrophobicContact CD2-CD2 3.89Å; Y1613-L1650 HydrophobicContact CD2-CG 4.31Å; Y1613-L1650 HydrophobicContact CE1-CD2 4.37Å; Y1613-L1650 HydrophobicContact CE2-CD2 3.61Å; Y1613-L1650 VanDerWaalsContact CE2-CD2 3.5Å; Y1613-L1650 HydrophobicContact CE2-CG 4.38Å; Y1613-L1650 HydrophobicContact CG-CD2 3.73Å; Y1613-L1650 HydrophobicContact CG-CG 4.4Å; V1618-L1650 HydrophobicContact CG1-CD1 4.5Å; V1618-L1650 HydrophobicContact CG2-CD1 4.31Å; V1618-L1650 HydrophobicContact CG2-CD2 4.03Å; L1646-L1650 HydrophobicContact CD1-CD1 4.38Å; L1646-L1650 HydrophobicContact CD1-CG 4.49Å; L1646-L1650 HydrophobicContact CD2-CD1 4.49Å; L1646-L1650 HydrophobicContact CG-CD1 4.01Å; L1646-L1650 HydrophobicContact CG-CG 4.46Å; L1646-L1650 WeakPolarHBondContact O-CB 3.19Å; L1646-L1650 WeakPolarHBondContact O-CD1 3.11Å; L1646-L1650 VanDerWaalsContact O-CG 3.26Å; L1646-L1650 WeakPolarHBondContact O-CG 3.14Å; L1646-L1650 PolarHBondContact O-N 3.09Å; L1647-L1650 CarbonylContact O-C 3.58Å; L1647-L1650 WeakPolarHBondContact O-CB 3.01Å; L1647-L1650 PolarHBondContact O-N 3.2Å; L1647-L1650 VanDerWaalsContact O-N 3.14Å; N1648-L1650 VanDerWaalsContact C-N 3.31Å; N1648-L1650 PolarHBondContact O-N 2.92Å; L1650-I1652 VanDerWaalsContact C-N 3.29Å; L1650-I1652 PolarHBondContact O-N 3.32Å; L1650-A1653 PolarHBondContact O-N 3.12Å; L1650-D1654 WeakPolarHBondContact O-CB 3.38Å; L1650-D1654 PolarHBondContact O-N 3.32Å |
| 1651 | F | 72.3 | Confident | 63.9 | Low | 7.2 Ų | 7.2 | 52.9 Ų | 52.9 | 3% | 0.032 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.7 | -32.4 | -178.8 | -62.5 | -38.2 | 0 | 0 | 0 | 113.1 | I1587 Y1590 L1647 N1648 A1653 D1654 Q1655 Y1658 S1659 I1661 L1662 K1663 L1666 | I1587-F1651 HydrophobicContact CG1-CZ 4.26Å; I1587-F1651 HydrophobicContact CG2-CZ 4.29Å; Y1590-F1651 HydrophobicContact CD1-CD1 4.07Å; Y1590-F1651 AromaticContact CD1-CE1 3.67Å; Y1590-F1651 HydrophobicContact CD1-CE1 3.67Å; Y1590-F1651 AromaticContact CE1-CD1 3.62Å; Y1590-F1651 HydrophobicContact CE1-CD1 3.75Å; Y1590-F1651 AromaticContact CE1-CE1 3.69Å; Y1590-F1651 HydrophobicContact CE1-CE1 3.69Å; Y1590-F1651 HydrophobicContact CE2-CD1 4.36Å; Y1590-F1651 HydrophobicContact CG-CE1 4.17Å; Y1590-F1651 AromaticContact CZ-CD1 3.88Å; L1647-F1651 HydrophobicContact CB-CD2 4.36Å; L1647-F1651 HydrophobicContact CB-CE2 3.93Å; L1647-F1651 HydrophobicContact CB-CZ 4.39Å; L1647-F1651 HydrophobicContact CD2-CE2 4.14Å; L1647-F1651 HydrophobicContact CD2-CZ 4.07Å; L1647-F1651 HydrophobicContact CG-CE2 4.36Å; L1647-F1651 WeakPolarHBondContact O-CB 3.21Å; L1647-F1651 VanDerWaalsContact O-CD2 3.22Å; L1647-F1651 WeakPolarHBondContact O-CD2 3.34Å; L1647-F1651 VanDerWaalsContact O-CG 3.25Å; L1647-F1651 WeakPolarHBondContact O-CG 3.31Å; L1647-F1651 PolarHBondContact O-N 3.13Å; N1648-F1651 PolarHBondContact O-N 2.96Å; F1651-A1653 VanDerWaalsContact C-N 3.33Å; F1651-A1653 PolarHBondContact O-N 2.88Å; F1651-D1654 CarbonylContact O-C 3.59Å; F1651-D1654 PolarHBondContact O-N 2.94Å; F1651-Q1655 PolarHBondContact O-N 2.83Å; F1651-Y1658 HydrophobicContact CB-CD2 4.39Å; F1651-S1659 WeakPolarHBondContact CD1-O 3.2Å; F1651-S1659 PolarHBondContact O-OG 2.89Å; F1651-I1661 HydrophobicContact CE1-CD1 3.81Å; F1651-I1661 HydrophobicContact CZ-CD1 3.78Å; F1651-L1662 HydrophobicContact CD1-CB 4.25Å; F1651-L1662 HydrophobicContact CD2-CB 4.49Å; F1651-L1662 HydrophobicContact CE1-CB 3.68Å; F1651-L1662 HydrophobicContact CE1-CD1 3.82Å; F1651-L1662 HydrophobicContact CE1-CG 4.42Å; F1651-L1662 HydrophobicContact CE2-CB 4.16Å; F1651-L1662 HydrophobicContact CZ-CB 3.64Å; F1651-L1662 HydrophobicContact CZ-CD1 4.28Å; F1651-K1663 HydrophobicContact CB-CB 3.85Å; F1651-K1663 HydrophobicContact CB-CD 4.21Å; F1651-K1663 HydrophobicContact CB-CG 4.05Å; F1651-K1663 HydrophobicContact CD2-CB 3.94Å; F1651-K1663 HydrophobicContact CD2-CG 4.11Å; F1651-K1663 HydrophobicContact CG-CB 4.16Å; F1651-K1663 HydrophobicContact CG-CG 4.3Å; F1651-L1666 HydrophobicContact CD2-CD2 4.29Å; F1651-L1666 HydrophobicContact CE2-CB 4.2Å; F1651-L1666 HydrophobicContact CE2-CD2 4.07Å |
| 1652 | I | 65.8 | Low | 63.3 | Low | 112.6 Ų | 112.6 | 51.5 Ų | 51.5 | 58% | 0.577 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -69.9 | -36.1 | 174.1 | -69.6 | 166.8 | 0 | 0 | 0 | 111 | N1648 L1650 D1654 Q1655 K1663 | N1648-I1652 HydrophobicContact CB-CD1 4.45Å; N1648-I1652 WeakPolarHBondContact O-CB 3.41Å; N1648-I1652 WeakPolarHBondContact O-CD1 3.42Å; N1648-I1652 VanDerWaalsContact O-CG1 3.23Å; N1648-I1652 WeakPolarHBondContact O-CG1 3.26Å; N1648-I1652 PolarHBondContact O-N 3.17Å; N1648-I1652 VanDerWaalsContact O-N 3.07Å; L1650-I1652 VanDerWaalsContact C-N 3.29Å; L1650-I1652 PolarHBondContact O-N 3.32Å; I1652-D1654 VanDerWaalsContact C-N 3.34Å; I1652-Q1655 WeakPolarHBondContact O-CG 3.33Å; I1652-K1663 HydrophobicContact CG1-CD 4.14Å |
| 1653 | A | 62.4 | Low | 63.1 | Low | 65.2 Ų | 65.2 | 50.8 Ų | 50.8 | 54% | 0.539 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -74.5 | -29.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y1613 K1649 L1650 F1651 | Y1613-A1653 HydrophobicContact CD1-CB 3.89Å; Y1613-A1653 HydrophobicContact CE1-CB 3.48Å; Y1613-A1653 VanDerWaalsContact CE1-CB 3.48Å; K1649-A1653 VanDerWaalsContact O-CB 3.31Å; K1649-A1653 WeakPolarHBondContact O-CB 3.4Å; K1649-A1653 PolarHBondContact O-N 2.94Å; K1649-A1653 VanDerWaalsContact O-N 3.17Å; L1650-A1653 PolarHBondContact O-N 3.12Å; F1651-A1653 VanDerWaalsContact C-N 3.33Å; F1651-A1653 PolarHBondContact O-N 2.88Å |
| 1654 | D | 61.2 | Low | 62.2 | Low | 36.8 Ų | 36.8 | 54.9 Ų | 54.9 | 20% | 0.197 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -91.3 | 2.3 | -178.2 | -173.8 | 40.1 | 0 | 0 | 0 | 113.3 | Y1590 K1594 L1650 F1651 I1652 S1656 A1657 S1659 | Y1590-D1654 HydrophobicContact CE2-CB 4.34Å; Y1590-D1654 VanDerWaalsContact OH-CB 3.25Å; Y1590-D1654 WeakPolarHBondContact OH-CB 3.35Å; K1594-D1654 VanDerWaalsContact CE-CG 3.48Å; K1594-D1654 VanDerWaalsContact CE-OD1 3.25Å; K1594-D1654 WeakPolarHBondContact CE-OD1 3.27Å; K1594-D1654 WeakPolarHBondContact CE-OD2 3.23Å; K1594-D1654 IonicContact NZ-OD1 2.84Å; K1594-D1654 PolarHBondContact NZ-OD1 3.18Å; K1594-D1654 IonicContact NZ-OD2 2.8Å; K1594-D1654 PolarHBondContact NZ-OD2 3.22Å; L1650-D1654 WeakPolarHBondContact O-CB 3.38Å; L1650-D1654 PolarHBondContact O-N 3.32Å; F1651-D1654 CarbonylContact O-C 3.59Å; F1651-D1654 PolarHBondContact O-N 2.94Å; I1652-D1654 VanDerWaalsContact C-N 3.34Å; D1654-S1656 PolarHBondContact O-N 2.95Å; D1654-S1656 PolarHBondContact OD1-N 3.43Å; D1654-S1656 PolarHBondContact OD1-OG 3.44Å; D1654-S1656 VanDerWaalsContact OD2-CB 3.29Å; D1654-S1656 WeakPolarHBondContact OD2-CB 3.4Å; D1654-S1656 PolarHBondContact OD2-N 3.38Å; D1654-S1656 PolarHBondContact OD2-OG 3.35Å; D1654-A1657 PolarHBondContact O-N 2.86Å; D1654-S1659 WeakPolarHBondContact CB-OG 3.47Å; D1654-S1659 PolarHBondContact O-OG 2.91Å; D1654-S1659 VanDerWaalsContact OD2-CB 3.24Å; D1654-S1659 WeakPolarHBondContact OD2-CB 3.33Å; D1654-S1659 PolarHBondContact OD2-OG 2.85Å |
| 1655 | Q | 51.9 | Low | 61.2 | Low | 153.8 Ų | 153.8 | 57.9 Ų | 57.9 | 72% | 0.719 | 31% | 0.305 | S | S | * | . | trans | 19.2 | -2.6 | 178.6 | -61.6 | -173.7 | -2.4 | 0 | 0 | 115.3 | F1651 I1652 A1657 Y1658 S1659 I1823 F1827 | F1651-Q1655 PolarHBondContact O-N 2.83Å; I1652-Q1655 WeakPolarHBondContact O-CG 3.33Å; Q1655-A1657 PolarHBondContact O-N 3.33Å; Q1655-Y1658 PolarHBondContact O-N 3.41Å; Q1655-S1659 PolarHBondContact O-N 3.38Å; Q1655-I1823 VanDerWaalsContact O-CG2 3.25Å; Q1655-I1823 WeakPolarHBondContact O-CG2 3.39Å; Q1655-F1827 HydrophobicContact CB-CE2 4.19Å; Q1655-F1827 HydrophobicContact CB-CZ 4.31Å; Q1655-F1827 WeakPolarHBondContact O-CE2 3.49Å | ||
| 1656 | S | 54.1 | Low | 60.7 | Low | 46.8 Ų | 46.8 | 54.3 Ų | 54.3 | 33% | 0.327 | 29% | 0.286 | S | S | . | . | trans | -65.4 | 149.8 | 176.5 | 78.6 | 0 | 0 | 0 | 0 | 111.5 | D1654 Y1658 S1659 C1660 | D1654-S1656 PolarHBondContact O-N 2.95Å; D1654-S1656 PolarHBondContact OD1-N 3.43Å; D1654-S1656 PolarHBondContact OD1-OG 3.44Å; D1654-S1656 VanDerWaalsContact OD2-CB 3.29Å; D1654-S1656 WeakPolarHBondContact OD2-CB 3.4Å; D1654-S1656 PolarHBondContact OD2-N 3.38Å; D1654-S1656 PolarHBondContact OD2-OG 3.35Å; S1656-Y1658 PolarHBondContact O-N 3.05Å; S1656-Y1658 VanDerWaalsContact O-N 3.14Å; S1656-Y1658 PolarHBondContact OG-N 3.33Å; S1656-S1659 PolarHBondContact N-OG 3.17Å; S1656-S1659 VanDerWaalsContact N-OG 3.16Å; S1656-S1659 WeakPolarHBondContact O-CB 3.4Å; S1656-S1659 PolarHBondContact O-N 3.13Å; S1656-S1659 PolarHBondContact O-OG 3.27Å; S1656-S1659 VanDerWaalsContact O-OG 3.13Å; S1656-S1659 PolarHBondContact OG-N 3.26Å; S1656-S1659 VanDerWaalsContact OG-N 3.12Å; S1656-S1659 PolarHBondContact OG-OG 3.09Å; S1656-S1659 VanDerWaalsContact OG-OG 3.06Å; S1656-C1660 WeakPolarHBondContact O-CB 3.26Å; S1656-C1660 PolarHBondContact O-N 3.14Å; S1656-C1660 PolarHBondContact O-SG 3.14Å | ||
| 1657 | A | 46.2 | Very low | 59.7 | Low | 48 Ų | 48 | 56 Ų | 56 | 40% | 0.397 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64 | -27.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1590 D1654 Q1655 S1659 C1660 I1661 S1820 I1823 L1824 | Y1590-A1657 HydrophobicContact CD2-CB 4.08Å; Y1590-A1657 HydrophobicContact CE2-CB 4.06Å; D1654-A1657 PolarHBondContact O-N 2.86Å; Q1655-A1657 PolarHBondContact O-N 3.33Å; A1657-S1659 VanDerWaalsContact C-N 3.34Å; A1657-S1659 PolarHBondContact O-N 3.15Å; A1657-C1660 HydrophobicContact CB-CB 4.45Å; A1657-C1660 CarbonylContact O-C 3.56Å; A1657-C1660 PolarHBondContact O-N 2.99Å; A1657-I1661 WeakPolarHBondContact O-CD1 3.33Å; A1657-I1661 VanDerWaalsContact O-CG1 3.26Å; A1657-I1661 WeakPolarHBondContact O-CG1 3.36Å; A1657-I1661 PolarHBondContact O-N 2.95Å; A1657-I1661 VanDerWaalsContact O-N 3.13Å; A1657-S1820 WeakPolarHBondContact CB-O 3.35Å; A1657-I1823 HydrophobicContact CB-CB 4.03Å; A1657-I1823 HydrophobicContact CB-CG2 4.22Å; A1657-L1824 HydrophobicContact CB-CB 3.47Å; A1657-L1824 VanDerWaalsContact CB-CB 3.47Å; A1657-L1824 HydrophobicContact CB-CD1 4.06Å; A1657-L1824 HydrophobicContact CB-CG 3.63Å |
| 1658 | Y | 46 | Very low | 58.3 | Low | 103.8 Ų | 103.8 | 60.6 Ų | 60.6 | 41% | 0.407 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.5 | -46.7 | 175.6 | -170.1 | -114.8 | 0 | 0 | 0 | 111.6 | P1586 Y1590 F1651 Q1655 S1656 C1660 I1661 L1662 | P1586-Y1658 PolarHBondContact O-OH 2.82Å; Y1590-Y1658 HydrophobicContact CD2-CD1 4.23Å; Y1590-Y1658 HydrophobicContact CD2-CE1 4.45Å; F1651-Y1658 HydrophobicContact CB-CD2 4.39Å; Q1655-Y1658 PolarHBondContact O-N 3.41Å; S1656-Y1658 PolarHBondContact O-N 3.05Å; S1656-Y1658 VanDerWaalsContact O-N 3.14Å; S1656-Y1658 PolarHBondContact OG-N 3.33Å; Y1658-C1660 VanDerWaalsContact C-N 3.31Å; Y1658-C1660 PolarHBondContact O-N 3.16Å; Y1658-I1661 PolarHBondContact O-N 3.06Å; Y1658-I1661 VanDerWaalsContact O-N 3.11Å; Y1658-L1662 HydrophobicContact CD1-CD1 3.94Å; Y1658-L1662 HydrophobicContact CE1-CD1 3.66Å; Y1658-L1662 HydrophobicContact CE1-CG 4.45Å; Y1658-L1662 HydrophobicContact CE2-CD1 4.34Å; Y1658-L1662 HydrophobicContact CG-CD1 4.31Å; Y1658-L1662 VanDerWaalsContact O-CG 3.29Å; Y1658-L1662 WeakPolarHBondContact O-CG 3.36Å; Y1658-L1662 PolarHBondContact O-N 3.16Å |
| 1659 | S | 55.4 | Low | 57.1 | Low | 14.4 Ų | 14.4 | 60.5 Ų | 60.5 | 10% | 0.101 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.8 | -33.7 | 174.9 | 68.5 | 0 | 0 | 0 | 0 | 112.6 | F1651 D1654 Q1655 S1656 A1657 I1661 L1662 K1663 | F1651-S1659 WeakPolarHBondContact CD1-O 3.2Å; F1651-S1659 PolarHBondContact O-OG 2.89Å; D1654-S1659 WeakPolarHBondContact CB-OG 3.47Å; D1654-S1659 PolarHBondContact O-OG 2.91Å; D1654-S1659 VanDerWaalsContact OD2-CB 3.24Å; D1654-S1659 WeakPolarHBondContact OD2-CB 3.33Å; D1654-S1659 PolarHBondContact OD2-OG 2.85Å; Q1655-S1659 PolarHBondContact O-N 3.38Å; S1656-S1659 PolarHBondContact N-OG 3.17Å; S1656-S1659 VanDerWaalsContact N-OG 3.16Å; S1656-S1659 WeakPolarHBondContact O-CB 3.4Å; S1656-S1659 PolarHBondContact O-N 3.13Å; S1656-S1659 PolarHBondContact O-OG 3.27Å; S1656-S1659 VanDerWaalsContact O-OG 3.13Å; S1656-S1659 PolarHBondContact OG-N 3.26Å; S1656-S1659 VanDerWaalsContact OG-N 3.12Å; S1656-S1659 PolarHBondContact OG-OG 3.09Å; S1656-S1659 VanDerWaalsContact OG-OG 3.06Å; A1657-S1659 VanDerWaalsContact C-N 3.34Å; A1657-S1659 PolarHBondContact O-N 3.15Å; S1659-I1661 VanDerWaalsContact C-N 3.31Å; S1659-I1661 PolarHBondContact O-N 3.32Å; S1659-L1662 CarbonylContact O-C 2.72Å; S1659-L1662 WeakPolarHBondContact O-CB 3.38Å; S1659-L1662 PolarHBondContact O-N 3.19Å; S1659-K1663 VanDerWaalsContact O-CB 3.29Å; S1659-K1663 WeakPolarHBondContact O-CB 3.31Å; S1659-K1663 PolarHBondContact O-N 2.88Å |
| 1660 | C | 50.6 | Low | 55.8 | Low | 58.4 Ų | 58.4 | 59.6 Ų | 59.6 | 40% | 0.395 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.1 | -32.2 | 176 | -100.4 | 0 | 0 | 0 | 0 | 113 | S1656 A1657 Y1658 K1663 K1664 S1820 | S1656-C1660 WeakPolarHBondContact O-CB 3.26Å; S1656-C1660 PolarHBondContact O-N 3.14Å; S1656-C1660 PolarHBondContact O-SG 3.14Å; A1657-C1660 HydrophobicContact CB-CB 4.45Å; A1657-C1660 CarbonylContact O-C 3.56Å; A1657-C1660 PolarHBondContact O-N 2.99Å; Y1658-C1660 VanDerWaalsContact C-N 3.31Å; Y1658-C1660 PolarHBondContact O-N 3.16Å; C1660-K1663 WeakPolarHBondContact O-CB 3.44Å; C1660-K1663 PolarHBondContact O-N 3.3Å; C1660-K1664 WeakPolarHBondContact O-CB 3.26Å; C1660-K1664 WeakPolarHBondContact O-CD 3.26Å; C1660-K1664 WeakPolarHBondContact O-CE 3.35Å; C1660-K1664 VanDerWaalsContact O-CG 3.26Å; C1660-K1664 WeakPolarHBondContact O-CG 3.28Å; C1660-K1664 PolarHBondContact O-N 3.12Å; C1660-K1664 VanDerWaalsContact O-N 3.13Å; C1660-S1820 VanDerWaalsContact SG-CB 3.51Å; C1660-S1820 PolarHBondContact SG-OG 3.17Å |
| 1661 | I | 51.5 | Low | 54.2 | Low | 70.2 Ų | 70.2 | 64.6 Ų | 64.6 | 36% | 0.36 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.4 | -49.2 | 171.2 | -70.2 | 165.1 | 0 | 0 | 0 | 110 | M1583 F1651 A1657 Y1658 S1659 K1663 K1664 Q1665 L1821 L1824 | M1583-I1661 HydrophobicContact SD-CG2 3.84Å; F1651-I1661 HydrophobicContact CE1-CD1 3.81Å; F1651-I1661 HydrophobicContact CZ-CD1 3.78Å; A1657-I1661 WeakPolarHBondContact O-CD1 3.33Å; A1657-I1661 VanDerWaalsContact O-CG1 3.26Å; A1657-I1661 WeakPolarHBondContact O-CG1 3.36Å; A1657-I1661 PolarHBondContact O-N 2.95Å; A1657-I1661 VanDerWaalsContact O-N 3.13Å; Y1658-I1661 PolarHBondContact O-N 3.06Å; Y1658-I1661 VanDerWaalsContact O-N 3.11Å; S1659-I1661 VanDerWaalsContact C-N 3.31Å; S1659-I1661 PolarHBondContact O-N 3.32Å; I1661-K1663 VanDerWaalsContact C-N 3.31Å; I1661-K1663 PolarHBondContact O-N 3.16Å; I1661-K1664 PolarHBondContact O-N 3.3Å; I1661-K1664 VanDerWaalsContact O-N 3.14Å; I1661-Q1665 HydrophobicContact CG2-CG 4.48Å; I1661-Q1665 WeakPolarHBondContact O-CG 3.34Å; I1661-Q1665 PolarHBondContact O-N 2.98Å; I1661-L1821 HydrophobicContact CD1-CD2 3.7Å; I1661-L1821 HydrophobicContact CG1-CD2 4.04Å; I1661-L1821 HydrophobicContact CG1-CG 4.49Å; I1661-L1824 HydrophobicContact CD1-CD1 3.53Å |
| 1662 | L | 54.8 | Low | 52.3 | Low | 12.2 Ų | 12.2 | 69.9 Ų | 69.9 | 6% | 0.064 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 177.6 | -71.6 | 171.8 | 0 | 0 | 0 | 112.1 | M1583 P1586 I1587 Y1590 F1651 Y1658 S1659 K1664 Q1665 L1666 | M1583-L1662 WeakPolarHBondContact CE-O 3.31Å; P1586-L1662 HydrophobicContact CB-CD2 3.57Å; I1587-L1662 HydrophobicContact CG1-CD2 4.4Å; Y1590-L1662 HydrophobicContact CD1-CD1 4.49Å; Y1590-L1662 HydrophobicContact CD2-CD1 4.3Å; Y1590-L1662 HydrophobicContact CG-CD1 3.92Å; F1651-L1662 HydrophobicContact CD1-CB 4.25Å; F1651-L1662 HydrophobicContact CD2-CB 4.49Å; F1651-L1662 HydrophobicContact CE1-CB 3.68Å; F1651-L1662 HydrophobicContact CE1-CD1 3.82Å; F1651-L1662 HydrophobicContact CE1-CG 4.42Å; F1651-L1662 HydrophobicContact CE2-CB 4.16Å; F1651-L1662 HydrophobicContact CZ-CB 3.64Å; F1651-L1662 HydrophobicContact CZ-CD1 4.28Å; Y1658-L1662 HydrophobicContact CD1-CD1 3.94Å; Y1658-L1662 HydrophobicContact CE1-CD1 3.66Å; Y1658-L1662 HydrophobicContact CE1-CG 4.45Å; Y1658-L1662 HydrophobicContact CE2-CD1 4.34Å; Y1658-L1662 HydrophobicContact CG-CD1 4.31Å; Y1658-L1662 VanDerWaalsContact O-CG 3.29Å; Y1658-L1662 WeakPolarHBondContact O-CG 3.36Å; Y1658-L1662 PolarHBondContact O-N 3.16Å; S1659-L1662 CarbonylContact O-C 2.72Å; S1659-L1662 WeakPolarHBondContact O-CB 3.38Å; S1659-L1662 PolarHBondContact O-N 3.19Å; L1662-K1664 VanDerWaalsContact C-N 3.31Å; L1662-K1664 PolarHBondContact O-N 3.44Å; L1662-Q1665 WeakPolarHBondContact O-CB 3.42Å; L1662-Q1665 PolarHBondContact O-N 3.06Å; L1662-Q1665 VanDerWaalsContact O-N 3.09Å; L1662-L1666 PolarHBondContact O-N 3.24Å |
| 1663 | K | 65.5 | Low | 50.5 | Low | 62 Ų | 62 | 71.3 Ų | 71.3 | 27% | 0.27 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 174.3 | -160.6 | -171.7 | 179.6 | -90 | 0 | 111.6 | N1648 F1651 I1652 S1659 C1660 I1661 Q1665 L1666 D1667 | N1648-K1663 VanDerWaalsContact OD1-CE 3.23Å; N1648-K1663 WeakPolarHBondContact OD1-CE 3.41Å; N1648-K1663 PolarHBondContact OD1-NZ 2.98Å; F1651-K1663 HydrophobicContact CB-CB 3.85Å; F1651-K1663 HydrophobicContact CB-CD 4.21Å; F1651-K1663 HydrophobicContact CB-CG 4.05Å; F1651-K1663 HydrophobicContact CD2-CB 3.94Å; F1651-K1663 HydrophobicContact CD2-CG 4.11Å; F1651-K1663 HydrophobicContact CG-CB 4.16Å; F1651-K1663 HydrophobicContact CG-CG 4.3Å; I1652-K1663 HydrophobicContact CG1-CD 4.14Å; S1659-K1663 VanDerWaalsContact O-CB 3.29Å; S1659-K1663 WeakPolarHBondContact O-CB 3.31Å; S1659-K1663 PolarHBondContact O-N 2.88Å; C1660-K1663 WeakPolarHBondContact O-CB 3.44Å; C1660-K1663 PolarHBondContact O-N 3.3Å; I1661-K1663 VanDerWaalsContact C-N 3.31Å; I1661-K1663 PolarHBondContact O-N 3.16Å; K1663-Q1665 VanDerWaalsContact C-N 3.26Å; K1663-Q1665 PolarHBondContact O-N 3.14Å; K1663-L1666 CarbonylContact O-C 3.55Å; K1663-L1666 WeakPolarHBondContact O-CB 3.1Å; K1663-L1666 PolarHBondContact O-N 3.04Å; K1663-L1666 VanDerWaalsContact O-N 3.1Å; K1663-D1667 IonicContact NZ-OD1 2.97Å; K1663-D1667 PolarHBondContact NZ-OD1 2.9Å; K1663-D1667 IonicContact NZ-OD2 3.21Å; K1663-D1667 PolarHBondContact NZ-OD2 3.13Å; K1663-D1667 VanDerWaalsContact O-CB 3.29Å; K1663-D1667 WeakPolarHBondContact O-CB 3.34Å; K1663-D1667 VanDerWaalsContact O-CG 3.25Å; K1663-D1667 PolarHBondContact O-N 3.08Å |
| 1664 | K | 56.5 | Low | 48.8 | Very low | 109.2 Ų | 109.2 | 76.6 Ų | 76.6 | 48% | 0.475 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.6 | -34.7 | 176.8 | -76.1 | 175.1 | 178.5 | -173.4 | 0 | 112.5 | M1583 C1660 I1661 L1662 D1667 L1668 Q1816 T1817 S1820 | M1583-K1664 HydrophobicContact CE-CB 4.3Å; C1660-K1664 WeakPolarHBondContact O-CB 3.26Å; C1660-K1664 WeakPolarHBondContact O-CD 3.26Å; C1660-K1664 WeakPolarHBondContact O-CE 3.35Å; C1660-K1664 VanDerWaalsContact O-CG 3.26Å; C1660-K1664 WeakPolarHBondContact O-CG 3.28Å; C1660-K1664 PolarHBondContact O-N 3.12Å; C1660-K1664 VanDerWaalsContact O-N 3.13Å; I1661-K1664 PolarHBondContact O-N 3.3Å; I1661-K1664 VanDerWaalsContact O-N 3.14Å; L1662-K1664 VanDerWaalsContact C-N 3.31Å; L1662-K1664 PolarHBondContact O-N 3.44Å; K1664-D1667 PolarHBondContact O-N 3.09Å; K1664-L1668 VanDerWaalsContact O-CB 3.3Å; K1664-L1668 WeakPolarHBondContact O-CB 3.25Å; K1664-L1668 WeakPolarHBondContact O-CD1 3.42Å; K1664-L1668 VanDerWaalsContact O-CG 3.29Å; K1664-L1668 WeakPolarHBondContact O-CG 3.24Å; K1664-L1668 PolarHBondContact O-N 3.04Å; K1664-Q1816 WeakPolarHBondContact CE-O 3.32Å; K1664-T1817 HydrophobicContact CD-CG2 4.31Å; K1664-T1817 PolarHBondContact NZ-O 3.14Å; K1664-S1820 WeakPolarHBondContact CE-OG 3.48Å; K1664-S1820 PolarHBondContact NZ-O 3.31Å; K1664-S1820 PolarHBondContact NZ-OG 3.09Å |
| 1665 | Q | 51.6 | Low | 47.1 | Very low | 80.4 Ų | 80.4 | 80.3 Ų | 80.3 | 38% | 0.376 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 173.2 | -75.6 | 176.9 | -31.4 | 0 | 0 | 111.3 | M1583 I1661 L1662 K1663 L1668 C1669 | M1583-Q1665 HydrophobicContact CE-CB 3.9Å; M1583-Q1665 HydrophobicContact CE-CG 3.69Å; M1583-Q1665 HydrophobicContact CG-CB 4.37Å; M1583-Q1665 HydrophobicContact SD-CB 3.97Å; I1661-Q1665 HydrophobicContact CG2-CG 4.48Å; I1661-Q1665 WeakPolarHBondContact O-CG 3.34Å; I1661-Q1665 PolarHBondContact O-N 2.98Å; L1662-Q1665 WeakPolarHBondContact O-CB 3.42Å; L1662-Q1665 PolarHBondContact O-N 3.06Å; L1662-Q1665 VanDerWaalsContact O-N 3.09Å; K1663-Q1665 VanDerWaalsContact C-N 3.26Å; K1663-Q1665 PolarHBondContact O-N 3.14Å; Q1665-L1668 PolarHBondContact O-N 3.06Å; Q1665-C1669 WeakPolarHBondContact O-CB 3.08Å; Q1665-C1669 PolarHBondContact O-N 3.24Å; Q1665-C1669 VanDerWaalsContact O-N 3.17Å; Q1665-C1669 PolarHBondContact O-SG 3.28Å; Q1665-C1669 VanDerWaalsContact O-SG 3.36Å |
| 1666 | L | 60.2 | Low | 45.7 | Very low | 12.6 Ų | 12.6 | 78.7 Ų | 78.7 | 7% | 0.066 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.8 | -43.9 | 174.7 | -154.6 | 80.1 | 0 | 0 | 0 | 112.4 | L1577 V1579 M1583 L1639 L1647 F1651 L1662 K1663 L1668 C1669 L1670 F1694 | L1577-L1666 HydrophobicContact CD2-CD1 4.1Å; V1579-L1666 HydrophobicContact CG2-CD1 4.2Å; M1583-L1666 HydrophobicContact CE-CB 3.84Å; M1583-L1666 HydrophobicContact CE-CD1 3.86Å; M1583-L1666 HydrophobicContact CE-CG 4.42Å; L1639-L1666 HydrophobicContact CD1-CD1 4.19Å; L1647-L1666 HydrophobicContact CB-CD2 3.99Å; L1647-L1666 HydrophobicContact CD1-CD1 4.42Å; L1647-L1666 HydrophobicContact CD1-CD2 4.25Å; F1651-L1666 HydrophobicContact CD2-CD2 4.29Å; F1651-L1666 HydrophobicContact CE2-CB 4.2Å; F1651-L1666 HydrophobicContact CE2-CD2 4.07Å; L1662-L1666 PolarHBondContact O-N 3.24Å; K1663-L1666 CarbonylContact O-C 3.55Å; K1663-L1666 WeakPolarHBondContact O-CB 3.1Å; K1663-L1666 PolarHBondContact O-N 3.04Å; K1663-L1666 VanDerWaalsContact O-N 3.1Å; L1666-L1668 VanDerWaalsContact C-N 3.29Å; L1666-L1668 PolarHBondContact O-N 3.07Å; L1666-C1669 CarbonylContact O-C 3.57Å; L1666-C1669 WeakPolarHBondContact O-CA 3.22Å; L1666-C1669 WeakPolarHBondContact O-CB 3.37Å; L1666-C1669 PolarHBondContact O-N 3.07Å; L1666-C1669 VanDerWaalsContact O-N 3.16Å; L1666-L1670 HydrophobicContact CD2-CD1 4.4Å; L1666-L1670 HydrophobicContact CG-CD1 4.13Å; L1666-L1670 HydrophobicContact CG-CG 4.38Å; L1666-L1670 WeakPolarHBondContact O-CB 3.31Å; L1666-L1670 WeakPolarHBondContact O-CD1 3.36Å; L1666-L1670 VanDerWaalsContact O-CG 3.3Å; L1666-L1670 WeakPolarHBondContact O-CG 3.32Å; L1666-L1670 PolarHBondContact O-N 3.19Å; L1666-F1694 HydrophobicContact CD1-CD1 4.02Å; L1666-F1694 HydrophobicContact CD1-CE1 3.67Å |
| 1667 | D | 57.2 | Low | 44.4 | Very low | 47 Ų | 47 | 83.4 Ų | 83.4 | 25% | 0.251 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61 | -37.9 | 175.3 | -68.4 | -27.3 | 0 | 0 | 0 | 111.3 | K1663 K1664 C1669 L1670 N1671 M1813 | K1663-D1667 IonicContact NZ-OD1 2.97Å; K1663-D1667 PolarHBondContact NZ-OD1 2.9Å; K1663-D1667 IonicContact NZ-OD2 3.21Å; K1663-D1667 PolarHBondContact NZ-OD2 3.13Å; K1663-D1667 VanDerWaalsContact O-CB 3.29Å; K1663-D1667 WeakPolarHBondContact O-CB 3.34Å; K1663-D1667 VanDerWaalsContact O-CG 3.25Å; K1663-D1667 PolarHBondContact O-N 3.08Å; K1664-D1667 PolarHBondContact O-N 3.09Å; D1667-C1669 VanDerWaalsContact C-N 3.29Å; D1667-C1669 PolarHBondContact O-N 3.42Å; D1667-L1670 PolarHBondContact O-N 3.33Å; D1667-N1671 WeakPolarHBondContact O-CB 3.2Å; D1667-N1671 PolarHBondContact O-N 2.95Å; D1667-N1671 PolarHBondContact O-ND2 2.8Å; D1667-M1813 HydrophobicContact CB-SD 3.6Å; D1667-M1813 VanDerWaalsContact CB-SD 3.6Å |
| 1668 | L | 47.4 | Very low | 43.4 | Very low | 98.4 Ų | 98.4 | 85.3 Ų | 85.3 | 52% | 0.515 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 173.7 | -82.9 | 161.8 | 0 | 0 | 0 | 112.2 | M1583 K1664 Q1665 L1666 L1670 N1671 L1672 M1813 | M1583-L1668 HydrophobicContact CE-CD1 4.28Å; K1664-L1668 VanDerWaalsContact O-CB 3.3Å; K1664-L1668 WeakPolarHBondContact O-CB 3.25Å; K1664-L1668 WeakPolarHBondContact O-CD1 3.42Å; K1664-L1668 VanDerWaalsContact O-CG 3.29Å; K1664-L1668 WeakPolarHBondContact O-CG 3.24Å; K1664-L1668 PolarHBondContact O-N 3.04Å; Q1665-L1668 PolarHBondContact O-N 3.06Å; L1666-L1668 VanDerWaalsContact C-N 3.29Å; L1666-L1668 PolarHBondContact O-N 3.07Å; L1668-L1670 VanDerWaalsContact C-N 3.29Å; L1668-L1670 PolarHBondContact O-N 3.16Å; L1668-N1671 PolarHBondContact O-N 2.93Å; L1668-L1672 PolarHBondContact O-N 3.22Å; L1668-M1813 HydrophobicContact CD2-CE 3.61Å; L1668-M1813 HydrophobicContact CG-CE 3.92Å; L1668-M1813 HydrophobicContact CG-SD 4.24Å |
| 1669 | C | 46.5 | Very low | 42.3 | Very low | 35.8 Ų | 35.8 | 86.6 Ų | 86.6 | 24% | 0.242 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -68.6 | -34.1 | 174.7 | -68.3 | 0 | 0 | 0 | 0 | 112.6 | L1577 M1583 Q1665 L1666 D1667 N1671 L1672 L1791 | L1577-C1669 HydrophobicContact CD1-CB 4.22Å; L1577-C1669 WeakPolarHBondContact CD1-O 3.32Å; L1577-C1669 HydrophobicContact CD2-CB 4.15Å; M1583-C1669 VanDerWaalsContact SD-SG 3.62Å; Q1665-C1669 WeakPolarHBondContact O-CB 3.08Å; Q1665-C1669 PolarHBondContact O-N 3.24Å; Q1665-C1669 VanDerWaalsContact O-N 3.17Å; Q1665-C1669 PolarHBondContact O-SG 3.28Å; Q1665-C1669 VanDerWaalsContact O-SG 3.36Å; L1666-C1669 CarbonylContact O-C 3.57Å; L1666-C1669 WeakPolarHBondContact O-CA 3.22Å; L1666-C1669 WeakPolarHBondContact O-CB 3.37Å; L1666-C1669 PolarHBondContact O-N 3.07Å; L1666-C1669 VanDerWaalsContact O-N 3.16Å; D1667-C1669 VanDerWaalsContact C-N 3.29Å; D1667-C1669 PolarHBondContact O-N 3.42Å; C1669-N1671 VanDerWaalsContact C-N 3.26Å; C1669-N1671 PolarHBondContact O-N 2.84Å; C1669-L1672 WeakPolarHBondContact O-CD1 3.5Å; C1669-L1672 PolarHBondContact O-N 3.3Å; C1669-L1791 HydrophobicContact CB-CD2 4.35Å |
| 1670 | L | 45.6 | Very low | 40.9 | Very low | 66.2 Ų | 66.2 | 92.1 Ų | 92.1 | 35% | 0.347 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.2 | -37.1 | 178.1 | -75.2 | 164.8 | 0 | 0 | 0 | 112.9 | L1577 I1644 L1666 D1667 L1668 L1672 K1673 | L1577-L1670 HydrophobicContact CD1-CD2 4.38Å; L1577-L1670 HydrophobicContact CD2-CD2 3.83Å; L1577-L1670 HydrophobicContact CD2-CG 4.04Å; I1644-L1670 HydrophobicContact CD1-CD2 4.16Å; I1644-L1670 HydrophobicContact CG1-CD2 4.15Å; I1644-L1670 HydrophobicContact CG2-CD1 4.01Å; I1644-L1670 HydrophobicContact CG2-CD2 4.06Å; L1666-L1670 HydrophobicContact CD2-CD1 4.4Å; L1666-L1670 HydrophobicContact CG-CD1 4.13Å; L1666-L1670 HydrophobicContact CG-CG 4.38Å; L1666-L1670 WeakPolarHBondContact O-CB 3.31Å; L1666-L1670 WeakPolarHBondContact O-CD1 3.36Å; L1666-L1670 VanDerWaalsContact O-CG 3.3Å; L1666-L1670 WeakPolarHBondContact O-CG 3.32Å; L1666-L1670 PolarHBondContact O-N 3.19Å; D1667-L1670 PolarHBondContact O-N 3.33Å; L1668-L1670 VanDerWaalsContact C-N 3.29Å; L1668-L1670 PolarHBondContact O-N 3.16Å; L1670-L1672 PolarHBondContact O-N 3.04Å; L1670-L1672 VanDerWaalsContact O-N 3.17Å; L1670-K1673 PolarHBondContact O-N 3.45Å |
| 1671 | N | 35 | Very low | 39.8 | Very low | 114.8 Ų | 114.8 | 93.6 Ų | 93.6 | 61% | 0.614 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -5.4 | -176.3 | -73.9 | -53.7 | 0 | 0 | 0 | 114.4 | D1667 L1668 C1669 K1673 E1674 | D1667-N1671 WeakPolarHBondContact O-CB 3.2Å; D1667-N1671 PolarHBondContact O-N 2.95Å; D1667-N1671 PolarHBondContact O-ND2 2.8Å; L1668-N1671 PolarHBondContact O-N 2.93Å; C1669-N1671 VanDerWaalsContact C-N 3.26Å; C1669-N1671 PolarHBondContact O-N 2.84Å; N1671-K1673 PolarHBondContact O-N 3.05Å; N1671-K1673 VanDerWaalsContact O-N 3.1Å; N1671-E1674 PolarHBondContact O-N 3.02Å; N1671-E1674 VanDerWaalsContact O-N 3.15Å |
| 1672 | L | 32.2 | Very low | 38.9 | Very low | 118.4 Ų | 118.4 | 95.5 Ų | 95.5 | 62% | 0.62 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 10.1 | 178 | -83.3 | 161.7 | 0 | 0 | 0 | 113.9 | L1668 C1669 L1670 E1674 T1675 L1801 | L1668-L1672 PolarHBondContact O-N 3.22Å; C1669-L1672 WeakPolarHBondContact O-CD1 3.5Å; C1669-L1672 PolarHBondContact O-N 3.3Å; L1670-L1672 PolarHBondContact O-N 3.04Å; L1670-L1672 VanDerWaalsContact O-N 3.17Å; L1672-E1674 PolarHBondContact O-N 2.85Å; L1672-T1675 PolarHBondContact O-OG1 2.92Å; L1672-T1675 VanDerWaalsContact O-OG1 3.05Å; L1672-L1801 HydrophobicContact CD1-CD1 3.35Å; L1672-L1801 HydrophobicContact CD1-CD2 3.76Å; L1672-L1801 HydrophobicContact CD1-CG 4.01Å; L1672-L1801 HydrophobicContact CD2-CD1 3.72Å; L1672-L1801 HydrophobicContact CD2-CD2 3.88Å; L1672-L1801 HydrophobicContact CD2-CG 3.81Å; L1672-L1801 HydrophobicContact CG-CD1 4.12Å; L1672-L1801 HydrophobicContact CG-CD2 4.14Å; L1672-L1801 HydrophobicContact CG-CG 4.43Å |
| 1673 | K | 29.6 | Very low | 37.8 | Very low | 143.2 Ų | 143.2 | 101.7 Ų | 101.7 | 62% | 0.623 | 54% | 0.539 | S | S | * | . | trans | -83.7 | 34.7 | 176.3 | -85.9 | -176 | 170.9 | 179.8 | 0 | 113.7 | N1575 D1576 L1577 L1670 N1671 T1675 | N1575-K1673 PolarHBondContact OD1-NZ 3.3Å; N1575-K1673 VanDerWaalsContact OD1-NZ 3.09Å; D1576-K1673 PolarHBondContact O-NZ 2.91Å; L1577-K1673 HydrophobicContact CD1-CD 4.06Å; L1577-K1673 HydrophobicContact CD1-CG 4.4Å; L1670-K1673 PolarHBondContact O-N 3.45Å; N1671-K1673 PolarHBondContact O-N 3.05Å; N1671-K1673 VanDerWaalsContact O-N 3.1Å; K1673-T1675 VanDerWaalsContact C-N 3.32Å | ||
| 1674 | E | 25.8 | Very low | 36.3 | Very low | 176.2 Ų | 176.2 | 102.8 Ų | 102.8 | 82% | 0.823 | 55% | 0.548 | S | S | * | . | trans | -80.6 | 56.8 | 170.6 | -65.2 | -168.8 | 158.5 | 0 | 0 | 115.2 | N1671 L1672 T1676 | N1671-E1674 PolarHBondContact O-N 3.02Å; N1671-E1674 VanDerWaalsContact O-N 3.15Å; L1672-E1674 PolarHBondContact O-N 2.85Å; E1674-T1676 PolarHBondContact O-N 3.39Å | ||
| 1675 | T | 25.7 | Very low | 35.2 | Very low | 114.4 Ų | 114.4 | 102.4 Ų | 102.4 | 70% | 0.702 | 55% | 0.546 | S | S | * | . | trans | -107.5 | 90.4 | 166.9 | 52 | 0 | 0 | 0 | 0 | 112.2 | L1672 K1673 N1677 | L1672-T1675 PolarHBondContact O-OG1 2.92Å; L1672-T1675 VanDerWaalsContact O-OG1 3.05Å; K1673-T1675 VanDerWaalsContact C-N 3.32Å; T1675-N1677 PolarHBondContact O-N 2.94Å | ||
| 1676 | T | 23.4 | Very low | 34.6 | Very low | 120.4 Ų | 120.4 | 101.8 Ų | 101.8 | 74% | 0.739 | 55% | 0.551 | S | S | * | * | trans | -70.4 | 99.1 | 167.4 | 59 | 0 | 0 | 0 | 0 | 113 | E1674 | E1674-T1676 PolarHBondContact O-N 3.39Š| ||
| 1677 | N | 25.2 | Very low | 33.7 | Very low | 146.2 Ų | 146.2 | 104.2 Ų | 104.2 | 78% | 0.782 | 57% | 0.566 | S | S | * | * | trans | -179 | 122 | 151.6 | -73.3 | -15.7 | 0 | 0 | 0 | 111.8 | T1675 | T1675-N1677 PolarHBondContact O-N 2.94Š| ||
| 1678 | S | 25.1 | Very low | 32.9 | Very low | 86.2 Ų | 86.2 | 102.9 Ų | 102.9 | 60% | 0.603 | 56% | 0.558 | S | S | * | * | trans | -45.5 | 151.2 | 137.6 | 58 | 0 | 0 | 0 | 0 | 112.5 | F1680 | S1678-F1680 VanDerWaalsContact O-CD2 3.28Å; S1678-F1680 WeakPolarHBondContact O-CD2 3.14Å; S1678-F1680 WeakPolarHBondContact O-CE2 3.18Å | ||
| 1679 | D | 24.5 | Very low | 32.9 | Very low | 131.8 Ų | 131.8 | 99.9 Ų | 99.9 | 71% | 0.705 | 55% | 0.546 | S | S | * | . | trans | 71.4 | 64.5 | 163.7 | -52.9 | -31.8 | 0 | 0 | 0 | 116.2 | N2483 | D1679-N2483 VanDerWaalsContact CB-ND2 3.34Å; D1679-N2483 WeakPolarHBondContact CB-ND2 3.46Å; D1679-N2483 VanDerWaalsContact OD1-CB 3.31Å; D1679-N2483 WeakPolarHBondContact OD1-CB 3.38Å; D1679-N2483 PolarHBondContact OD1-ND2 3.08Å; D1679-N2483 PolarHBondContact OD2-ND2 3Å | ||
| 1680 | F | 25.3 | Very low | 32.9 | Very low | 129.4 Ų | 129.4 | 104.8 Ų | 104.8 | 57% | 0.568 | 57% | 0.565 | S | S | * | * | trans | -134.6 | 101.1 | 157 | -89.1 | -76.3 | 0 | 0 | 0 | 111.5 | S1678 S1682 F1685 I1688 K1786 I1793 Y2479 | S1678-F1680 VanDerWaalsContact O-CD2 3.28Å; S1678-F1680 WeakPolarHBondContact O-CD2 3.14Å; S1678-F1680 WeakPolarHBondContact O-CE2 3.18Å; F1680-S1682 PolarHBondContact O-N 2.68Å; F1680-F1685 AromaticContact CD1-CD2 3.92Å; F1680-F1685 HydrophobicContact CD1-CD2 4.01Å; F1680-F1685 AromaticContact CD1-CE2 3.5Å; F1680-F1685 HydrophobicContact CD1-CE2 3.77Å; F1680-F1685 HydrophobicContact CD1-CZ 4.47Å; F1680-F1685 HydrophobicContact CE1-CD2 4.43Å; F1680-F1685 AromaticContact CE1-CE2 3.95Å; F1680-F1685 HydrophobicContact CE1-CE2 4.06Å; F1680-F1685 HydrophobicContact CG-CE2 4.18Å; F1680-I1688 HydrophobicContact CE1-CD1 4Å; F1680-K1786 PolarHBondContact O-NZ 2.83Å; F1680-I1793 HydrophobicContact CE1-CB 3.64Å; F1680-I1793 HydrophobicContact CE1-CD1 4.39Å; F1680-I1793 HydrophobicContact CE1-CG1 4.46Å; F1680-I1793 HydrophobicContact CE1-CG2 4.2Å; F1680-I1793 HydrophobicContact CZ-CB 3.85Å; F1680-I1793 WeakPolarHBondContact CZ-O 3.44Å; F1680-Y2479 WeakPolarHBondContact CE1-OH 3.43Å | ||
| 1681 | T | 28.2 | Very low | 33 | Very low | 90.8 Ų | 90.8 | 105.4 Ų | 105.4 | 56% | 0.557 | 57% | 0.566 | S | S | * | * | trans | -55 | 134 | 163.1 | 41.8 | 0 | 0 | 0 | 0 | 112.7 | E1683 D1684 | T1681-E1683 PolarHBondContact O-N 3.12Å; T1681-E1683 VanDerWaalsContact O-N 3.15Å; T1681-D1684 PolarHBondContact O-N 3.25Å; T1681-D1684 PolarHBondContact OG1-OD2 3.15Å | ||
| 1682 | S | 32.6 | Very low | 33.7 | Very low | 109.2 Ų | 109.2 | 100.2 Ų | 100.2 | 76% | 0.764 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 25.4 | 178.6 | 55.3 | 0 | 0 | 0 | 0 | 114.1 | F1680 | F1680-S1682 PolarHBondContact O-N 2.68Š|
| 1683 | E | 30 | Very low | 34.7 | Very low | 143.8 Ų | 143.8 | 96.6 Ų | 96.6 | 67% | 0.672 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -29 | 174.3 | -66.1 | -174.5 | 145.6 | 0 | 0 | 111.7 | T1681 F1685 S1686 V1687 | T1681-E1683 PolarHBondContact O-N 3.12Å; T1681-E1683 VanDerWaalsContact O-N 3.15Å; E1683-F1685 VanDerWaalsContact C-N 3.3Å; E1683-F1685 PolarHBondContact O-N 2.91Å; E1683-S1686 WeakPolarHBondContact O-CB 3.49Å; E1683-S1686 PolarHBondContact O-N 3.24Å; E1683-S1686 PolarHBondContact O-OG 3.2Å; E1683-S1686 VanDerWaalsContact O-OG 3.11Å; E1683-V1687 PolarHBondContact O-N 2.74Å |
| 1684 | D | 34.9 | Very low | 35.9 | Very low | 85.4 Ų | 85.4 | 95.8 Ų | 95.8 | 46% | 0.457 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.8 | -22.9 | -176.6 | -73.7 | -55.2 | 0 | 0 | 0 | 113.1 | T1681 S1686 V1687 I1688 | T1681-D1684 PolarHBondContact O-N 3.25Å; T1681-D1684 PolarHBondContact OG1-OD2 3.15Å; D1684-S1686 VanDerWaalsContact C-N 3.32Å; D1684-S1686 PolarHBondContact O-N 3.19Å; D1684-V1687 WeakPolarHBondContact O-CB 3.32Å; D1684-V1687 PolarHBondContact O-N 3.02Å; D1684-I1688 HydrophobicContact CB-CD1 4.44Å; D1684-I1688 WeakPolarHBondContact O-CB 3.22Å; D1684-I1688 WeakPolarHBondContact O-CD1 3.44Å; D1684-I1688 VanDerWaalsContact O-CG1 3.28Å; D1684-I1688 WeakPolarHBondContact O-CG1 3.38Å; D1684-I1688 PolarHBondContact O-N 3.16Å; D1684-I1688 VanDerWaalsContact O-N 3.1Å |
| 1685 | F | 32.5 | Very low | 37.2 | Very low | 100.8 Ų | 100.8 | 88.8 Ų | 88.8 | 44% | 0.442 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.8 | -29.8 | -177.9 | -109.1 | -86.4 | 0 | 0 | 0 | 113.7 | F1680 E1683 V1687 I1688 S1689 L1773 A1785 | F1680-F1685 AromaticContact CD1-CD2 3.92Å; F1680-F1685 HydrophobicContact CD1-CD2 4.01Å; F1680-F1685 AromaticContact CD1-CE2 3.5Å; F1680-F1685 HydrophobicContact CD1-CE2 3.77Å; F1680-F1685 HydrophobicContact CD1-CZ 4.47Å; F1680-F1685 HydrophobicContact CE1-CD2 4.43Å; F1680-F1685 AromaticContact CE1-CE2 3.95Å; F1680-F1685 HydrophobicContact CE1-CE2 4.06Å; F1680-F1685 HydrophobicContact CG-CE2 4.18Å; E1683-F1685 VanDerWaalsContact C-N 3.3Å; E1683-F1685 PolarHBondContact O-N 2.91Å; F1685-V1687 VanDerWaalsContact C-N 3.33Å; F1685-I1688 HydrophobicContact CD1-CD1 3.93Å; F1685-I1688 HydrophobicContact CE1-CD1 4.07Å; F1685-I1688 HydrophobicContact CG-CD1 4.25Å; F1685-I1688 HydrophobicContact CZ-CD1 4.5Å; F1685-I1688 WeakPolarHBondContact O-CB 3.44Å; F1685-I1688 PolarHBondContact O-N 2.78Å; F1685-S1689 WeakPolarHBondContact O-CB 3.31Å; F1685-S1689 PolarHBondContact O-N 3.17Å; F1685-S1689 VanDerWaalsContact O-N 3.1Å; F1685-S1689 PolarHBondContact O-OG 3.27Å; F1685-L1773 HydrophobicContact CE1-CD2 4.24Å; F1685-A1785 HydrophobicContact CE2-CB 4.15Å; F1685-A1785 HydrophobicContact CZ-CB 4.5Å |
| 1686 | S | 39.4 | Very low | 38.6 | Very low | 67.8 Ų | 67.8 | 84.5 Ų | 84.5 | 47% | 0.474 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 173.2 | 59.4 | 0 | 0 | 0 | 0 | 111.3 | E1683 D1684 I1688 S1689 E1690 | E1683-S1686 WeakPolarHBondContact O-CB 3.49Å; E1683-S1686 PolarHBondContact O-N 3.24Å; E1683-S1686 PolarHBondContact O-OG 3.2Å; E1683-S1686 VanDerWaalsContact O-OG 3.11Å; D1684-S1686 VanDerWaalsContact C-N 3.32Å; D1684-S1686 PolarHBondContact O-N 3.19Å; S1686-I1688 VanDerWaalsContact C-N 3.33Å; S1686-I1688 PolarHBondContact O-N 3.14Å; S1686-S1689 CarbonylContact O-C 3.31Å; S1686-S1689 PolarHBondContact O-N 3.07Å; S1686-S1689 VanDerWaalsContact O-N 3.13Å; S1686-S1689 PolarHBondContact O-OG 3.1Å; S1686-E1690 WeakPolarHBondContact O-CB 3.41Å; S1686-E1690 WeakPolarHBondContact O-CG 3.34Å; S1686-E1690 PolarHBondContact O-N 3.1Å |
| 1687 | V | 41.6 | Very low | 40.2 | Very low | 62.4 Ų | 62.4 | 82.5 Ų | 82.5 | 38% | 0.378 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 178.7 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | E1683 D1684 F1685 S1689 E1690 E1691 Y1722 | E1683-V1687 PolarHBondContact O-N 2.74Å; D1684-V1687 WeakPolarHBondContact O-CB 3.32Å; D1684-V1687 PolarHBondContact O-N 3.02Å; F1685-V1687 VanDerWaalsContact C-N 3.33Å; V1687-S1689 VanDerWaalsContact C-N 3.33Å; V1687-S1689 PolarHBondContact O-N 2.98Å; V1687-E1690 PolarHBondContact O-N 3.17Å; V1687-E1690 VanDerWaalsContact O-N 3.15Å; V1687-E1691 HydrophobicContact CG1-CG 4.43Å; V1687-E1691 WeakPolarHBondContact O-CB 3.39Å; V1687-E1691 WeakPolarHBondContact O-CG 3.19Å; V1687-E1691 PolarHBondContact O-N 3.04Å; V1687-Y1722 WeakPolarHBondContact CG1-OH 3.42Å |
| 1688 | I | 41.2 | Very low | 41.6 | Very low | 19.2 Ų | 19.2 | 78.9 Ų | 78.9 | 10% | 0.098 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 174.5 | -66.5 | 169.3 | 0 | 0 | 0 | 110.9 | F1680 D1684 F1685 S1686 E1690 E1691 L1692 Y1722 A1785 F1789 | F1680-I1688 HydrophobicContact CE1-CD1 4Å; D1684-I1688 HydrophobicContact CB-CD1 4.44Å; D1684-I1688 WeakPolarHBondContact O-CB 3.22Å; D1684-I1688 WeakPolarHBondContact O-CD1 3.44Å; D1684-I1688 VanDerWaalsContact O-CG1 3.28Å; D1684-I1688 WeakPolarHBondContact O-CG1 3.38Å; D1684-I1688 PolarHBondContact O-N 3.16Å; D1684-I1688 VanDerWaalsContact O-N 3.1Å; F1685-I1688 HydrophobicContact CD1-CD1 3.93Å; F1685-I1688 HydrophobicContact CE1-CD1 4.07Å; F1685-I1688 HydrophobicContact CG-CD1 4.25Å; F1685-I1688 HydrophobicContact CZ-CD1 4.5Å; F1685-I1688 WeakPolarHBondContact O-CB 3.44Å; F1685-I1688 PolarHBondContact O-N 2.78Å; S1686-I1688 VanDerWaalsContact C-N 3.33Å; S1686-I1688 PolarHBondContact O-N 3.14Å; I1688-E1690 VanDerWaalsContact C-N 3.32Å; I1688-E1690 PolarHBondContact O-N 3.41Å; I1688-E1691 PolarHBondContact O-N 3.34Å; I1688-L1692 HydrophobicContact CG2-CD1 3.9Å; I1688-L1692 HydrophobicContact CG2-CG 4.42Å; I1688-L1692 VanDerWaalsContact O-CB 3.3Å; I1688-L1692 WeakPolarHBondContact O-CB 3.35Å; I1688-L1692 VanDerWaalsContact O-CG 3.27Å; I1688-L1692 WeakPolarHBondContact O-CG 3.23Å; I1688-L1692 PolarHBondContact O-N 3.19Å; I1688-Y1722 HydrophobicContact CB-CD2 4.49Å; I1688-Y1722 HydrophobicContact CB-CE2 4.44Å; I1688-Y1722 HydrophobicContact CD1-CD1 3.68Å; I1688-Y1722 HydrophobicContact CD1-CE1 4.21Å; I1688-Y1722 HydrophobicContact CD1-CG 3.87Å; I1688-Y1722 HydrophobicContact CG1-CD1 3.46Å; I1688-Y1722 VanDerWaalsContact CG1-CD1 3.43Å; I1688-Y1722 HydrophobicContact CG1-CD2 3.83Å; I1688-Y1722 HydrophobicContact CG1-CE1 3.58Å; I1688-Y1722 VanDerWaalsContact CG1-CE1 3.44Å; I1688-Y1722 HydrophobicContact CG1-CE2 3.95Å; I1688-Y1722 HydrophobicContact CG1-CG 3.57Å; I1688-Y1722 HydrophobicContact CG2-CD2 4.38Å; I1688-A1785 HydrophobicContact CD1-CB 4.03Å; I1688-F1789 HydrophobicContact CD1-CB 4.11Å; I1688-F1789 HydrophobicContact CD1-CG 4.48Å; I1688-F1789 HydrophobicContact CG1-CB 4.29Å; I1688-F1789 HydrophobicContact CG2-CB 4.27Å; I1688-F1789 HydrophobicContact CG2-CD1 4.02Å; I1688-F1789 HydrophobicContact CG2-CD2 3.72Å; I1688-F1789 HydrophobicContact CG2-CE1 4.5Å; I1688-F1789 HydrophobicContact CG2-CE2 3.96Å; I1688-F1789 HydrophobicContact CG2-CG 3.66Å |
| 1689 | S | 45.8 | Very low | 43 | Very low | 35.8 Ų | 35.8 | 76.1 Ų | 76.1 | 25% | 0.25 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.9 | -36.9 | 178.4 | 115.3 | 0 | 0 | 0 | 0 | 112.4 | F1685 S1686 V1687 S1693 | F1685-S1689 WeakPolarHBondContact O-CB 3.31Å; F1685-S1689 PolarHBondContact O-N 3.17Å; F1685-S1689 VanDerWaalsContact O-N 3.1Å; F1685-S1689 PolarHBondContact O-OG 3.27Å; S1686-S1689 CarbonylContact O-C 3.31Å; S1686-S1689 PolarHBondContact O-N 3.07Å; S1686-S1689 VanDerWaalsContact O-N 3.13Å; S1686-S1689 PolarHBondContact O-OG 3.1Å; V1687-S1689 VanDerWaalsContact C-N 3.33Å; V1687-S1689 PolarHBondContact O-N 2.98Å; S1689-S1693 VanDerWaalsContact O-CB 3.3Å; S1689-S1693 WeakPolarHBondContact O-CB 3.27Å; S1689-S1693 PolarHBondContact O-N 3.08Å; S1689-S1693 PolarHBondContact O-OG 3.31Å |
| 1690 | E | 48 | Very low | 44.2 | Very low | 138.2 Ų | 138.2 | 78.5 Ų | 78.5 | 65% | 0.646 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -71 | -46.4 | 176.1 | -74.6 | -171.5 | 164.9 | 0 | 0 | 112.1 | S1686 V1687 I1688 L1692 S1693 F1694 | S1686-E1690 WeakPolarHBondContact O-CB 3.41Å; S1686-E1690 WeakPolarHBondContact O-CG 3.34Å; S1686-E1690 PolarHBondContact O-N 3.1Å; V1687-E1690 PolarHBondContact O-N 3.17Å; V1687-E1690 VanDerWaalsContact O-N 3.15Å; I1688-E1690 VanDerWaalsContact C-N 3.32Å; I1688-E1690 PolarHBondContact O-N 3.41Å; E1690-L1692 VanDerWaalsContact C-N 3.33Å; E1690-L1692 PolarHBondContact O-N 2.92Å; E1690-S1693 PolarHBondContact O-N 3.13Å; E1690-F1694 VanDerWaalsContact O-CB 3.24Å; E1690-F1694 WeakPolarHBondContact O-CB 3.38Å; E1690-F1694 PolarHBondContact O-N 3.2Å |
| 1691 | E | 48 | Very low | 45.3 | Very low | 80 Ų | 80 | 80.7 Ų | 80.7 | 37% | 0.374 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64 | -39.1 | 178 | -109.2 | -174.3 | -169.5 | 0 | 0 | 111.8 | V1687 I1688 F1694 L1695 K1721 Y1722 L1791 | V1687-E1691 HydrophobicContact CG1-CG 4.43Å; V1687-E1691 WeakPolarHBondContact O-CB 3.39Å; V1687-E1691 WeakPolarHBondContact O-CG 3.19Å; V1687-E1691 PolarHBondContact O-N 3.04Å; I1688-E1691 PolarHBondContact O-N 3.34Å; E1691-F1694 WeakPolarHBondContact O-CB 3.35Å; E1691-F1694 PolarHBondContact O-N 2.89Å; E1691-L1695 WeakPolarHBondContact O-CB 3.39Å; E1691-L1695 VanDerWaalsContact O-CG 3.29Å; E1691-L1695 WeakPolarHBondContact O-CG 3.31Å; E1691-L1695 PolarHBondContact O-N 3.26Å; E1691-K1721 IonicContact OE1-NZ 2.82Å; E1691-K1721 PolarHBondContact OE1-NZ 2.92Å; E1691-K1721 IonicContact OE2-NZ 2.75Å; E1691-K1721 PolarHBondContact OE2-NZ 3.23Å; E1691-Y1722 WeakPolarHBondContact OE2-CE2 3.38Å; E1691-Y1722 VanDerWaalsContact OE2-CZ 3.29Å; E1691-Y1722 PolarHBondContact OE2-OH 3.23Å; E1691-L1791 WeakPolarHBondContact OE2-CD1 3.49Å |
| 1692 | L | 48.9 | Very low | 46.3 | Very low | 5.4 Ų | 5.4 | 82.5 Ų | 82.5 | 3% | 0.028 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.8 | -44.4 | 173.3 | -78.9 | 167.6 | 0 | 0 | 0 | 112.2 | I1688 E1690 F1694 L1695 I1696 L1715 A1718 L1724 L1766 L1769 I1771 L1773 F1789 | I1688-L1692 HydrophobicContact CG2-CD1 3.9Å; I1688-L1692 HydrophobicContact CG2-CG 4.42Å; I1688-L1692 VanDerWaalsContact O-CB 3.3Å; I1688-L1692 WeakPolarHBondContact O-CB 3.35Å; I1688-L1692 VanDerWaalsContact O-CG 3.27Å; I1688-L1692 WeakPolarHBondContact O-CG 3.23Å; I1688-L1692 PolarHBondContact O-N 3.19Å; E1690-L1692 VanDerWaalsContact C-N 3.33Å; E1690-L1692 PolarHBondContact O-N 2.92Å; L1692-F1694 VanDerWaalsContact C-N 3.29Å; L1692-F1694 PolarHBondContact O-N 2.92Å; L1692-L1695 HydrophobicContact CD2-CD1 4.5Å; L1692-L1695 WeakPolarHBondContact O-CB 3.41Å; L1692-L1695 PolarHBondContact O-N 3.28Å; L1692-I1696 HydrophobicContact CD2-CD1 4.13Å; L1692-I1696 WeakPolarHBondContact O-CB 3.33Å; L1692-I1696 WeakPolarHBondContact O-CD1 3.19Å; L1692-I1696 VanDerWaalsContact O-CG1 3.3Å; L1692-I1696 WeakPolarHBondContact O-CG1 3.41Å; L1692-I1696 PolarHBondContact O-N 3.24Å; L1692-L1715 HydrophobicContact CD2-CD1 3.98Å; L1692-A1718 HydrophobicContact CD2-CB 4.18Å; L1692-L1724 HydrophobicContact CD1-CD1 4.04Å; L1692-L1724 HydrophobicContact CD2-CD1 4.19Å; L1692-L1766 HydrophobicContact CD2-CD2 4.02Å; L1692-L1769 HydrophobicContact CD1-CD1 4.24Å; L1692-I1771 HydrophobicContact CB-CD1 3.5Å; L1692-I1771 HydrophobicContact CD1-CD1 4.01Å; L1692-I1771 HydrophobicContact CG-CD1 4.38Å; L1692-L1773 HydrophobicContact CB-CD1 4.09Å; L1692-L1773 HydrophobicContact CD1-CD1 3.37Å; L1692-F1789 HydrophobicContact CD1-CD1 4.48Å; L1692-F1789 HydrophobicContact CD1-CE1 4.03Å; L1692-F1789 HydrophobicContact CD1-CE2 3.89Å; L1692-F1789 HydrophobicContact CD1-CZ 3.73Å; L1692-F1789 VanDerWaalsContact CD1-CZ 3.44Å; L1692-F1789 HydrophobicContact CD2-CE1 4.2Å; L1692-F1789 HydrophobicContact CD2-CZ 3.99Å; L1692-F1789 HydrophobicContact CG-CE1 4.06Å; L1692-F1789 HydrophobicContact CG-CE2 4.41Å; L1692-F1789 HydrophobicContact CG-CZ 3.57Å |
| 1693 | S | 52.8 | Low | 47 | Very low | 41 Ų | 41 | 81.9 Ų | 81.9 | 29% | 0.287 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63 | -36.5 | 176.7 | -61 | 0 | 0 | 0 | 0 | 111.6 | S1689 E1690 I1696 S1697 Q1770 I1771 | S1689-S1693 VanDerWaalsContact O-CB 3.3Å; S1689-S1693 WeakPolarHBondContact O-CB 3.27Å; S1689-S1693 PolarHBondContact O-N 3.08Å; S1689-S1693 PolarHBondContact O-OG 3.31Å; E1690-S1693 PolarHBondContact O-N 3.13Å; S1693-I1696 PolarHBondContact O-N 2.78Å; S1693-S1697 VanDerWaalsContact O-CB 3.3Å; S1693-S1697 WeakPolarHBondContact O-CB 3.29Å; S1693-S1697 PolarHBondContact O-N 3.29Å; S1693-S1697 VanDerWaalsContact O-N 3.13Å; S1693-S1697 PolarHBondContact O-OG 2.99Å; S1693-Q1770 PolarHBondContact OG-NE2 3.41Å; S1693-I1771 WeakPolarHBondContact OG-CG2 3.31Å |
| 1694 | F | 54.3 | Low | 48.2 | Very low | 127.2 Ų | 127.2 | 80.2 Ų | 80.2 | 56% | 0.558 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -68.2 | -41.9 | 174.3 | -174.6 | -102 | 0 | 0 | 0 | 112 | L1666 E1690 E1691 L1692 I1696 S1697 N1698 | L1666-F1694 HydrophobicContact CD1-CD1 4.02Å; L1666-F1694 HydrophobicContact CD1-CE1 3.67Å; E1690-F1694 VanDerWaalsContact O-CB 3.24Å; E1690-F1694 WeakPolarHBondContact O-CB 3.38Å; E1690-F1694 PolarHBondContact O-N 3.2Å; E1691-F1694 WeakPolarHBondContact O-CB 3.35Å; E1691-F1694 PolarHBondContact O-N 2.89Å; L1692-F1694 VanDerWaalsContact C-N 3.29Å; L1692-F1694 PolarHBondContact O-N 2.92Å; F1694-I1696 VanDerWaalsContact C-N 3.35Å; F1694-I1696 PolarHBondContact O-N 3.14Å; F1694-S1697 WeakPolarHBondContact CA-OG 3.36Å; F1694-S1697 PolarHBondContact O-N 3.4Å; F1694-S1697 PolarHBondContact O-OG 2.95Å; F1694-N1698 VanDerWaalsContact CD1-ND2 3.3Å; F1694-N1698 WeakPolarHBondContact CD1-ND2 3.4Å; F1694-N1698 VanDerWaalsContact CE1-ND2 3.33Å; F1694-N1698 WeakPolarHBondContact CE1-ND2 3.39Å; F1694-N1698 WeakPolarHBondContact CE2-ND2 3.32Å; F1694-N1698 VanDerWaalsContact CZ-ND2 3.3Å; F1694-N1698 WeakPolarHBondContact CZ-ND2 3.44Å; F1694-N1698 VanDerWaalsContact O-CB 3.26Å; F1694-N1698 WeakPolarHBondContact O-CB 3.17Å; F1694-N1698 PolarHBondContact O-N 3.14Å; F1694-N1698 VanDerWaalsContact O-N 3.07Å; F1694-N1698 PolarHBondContact O-ND2 2.94Å; F1694-N1698 PolarHBondContact O-OD1 3.19Å |
| 1695 | L | 53.2 | Low | 49.2 | Very low | 28.8 Ų | 28.8 | 78.1 Ų | 78.1 | 15% | 0.151 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.7 | -45 | 172.9 | -91.3 | 162.1 | 0 | 0 | 0 | 112 | E1691 L1692 S1697 N1698 L1699 F1711 N1714 A1718 I1793 | E1691-L1695 WeakPolarHBondContact O-CB 3.39Å; E1691-L1695 VanDerWaalsContact O-CG 3.29Å; E1691-L1695 WeakPolarHBondContact O-CG 3.31Å; E1691-L1695 PolarHBondContact O-N 3.26Å; L1692-L1695 HydrophobicContact CD2-CD1 4.5Å; L1692-L1695 WeakPolarHBondContact O-CB 3.41Å; L1692-L1695 PolarHBondContact O-N 3.28Å; L1695-S1697 VanDerWaalsContact C-N 3.28Å; L1695-S1697 PolarHBondContact O-N 3.15Å; L1695-N1698 PolarHBondContact O-N 2.99Å; L1695-L1699 VanDerWaalsContact O-CB 3.24Å; L1695-L1699 WeakPolarHBondContact O-CB 3.46Å; L1695-L1699 WeakPolarHBondContact O-CD1 3.35Å; L1695-L1699 WeakPolarHBondContact O-CG 3.21Å; L1695-L1699 PolarHBondContact O-N 2.93Å; L1695-F1711 HydrophobicContact CB-CD2 4.45Å; L1695-F1711 HydrophobicContact CB-CE2 4.28Å; L1695-F1711 HydrophobicContact CD2-CD2 3.86Å; L1695-F1711 HydrophobicContact CD2-CE2 4.03Å; L1695-F1711 WeakPolarHBondContact O-CD2 3.21Å; L1695-F1711 WeakPolarHBondContact O-CE2 3.44Å; L1695-N1714 HydrophobicContact CD1-CB 4.26Å; L1695-N1714 HydrophobicContact CD2-CB 3.65Å; L1695-N1714 VanDerWaalsContact CD2-CB 3.49Å; L1695-N1714 HydrophobicContact CG-CB 4.47Å; L1695-A1718 HydrophobicContact CD1-CB 4.32Å; L1695-I1793 HydrophobicContact CD1-CD1 4.24Å |
| 1696 | I | 56.3 | Low | 50.2 | Low | 25 Ų | 25 | 73.8 Ų | 73.8 | 13% | 0.128 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.3 | -39.5 | -180 | -67 | 163.8 | 0 | 0 | 0 | 111.4 | L1692 S1693 F1694 N1698 L1699 F1711 K1763 L1766 E1767 L1769 Q1770 I1771 L1773 | L1692-I1696 HydrophobicContact CD2-CD1 4.13Å; L1692-I1696 WeakPolarHBondContact O-CB 3.33Å; L1692-I1696 WeakPolarHBondContact O-CD1 3.19Å; L1692-I1696 VanDerWaalsContact O-CG1 3.3Å; L1692-I1696 WeakPolarHBondContact O-CG1 3.41Å; L1692-I1696 PolarHBondContact O-N 3.24Å; S1693-I1696 PolarHBondContact O-N 2.78Å; F1694-I1696 VanDerWaalsContact C-N 3.35Å; F1694-I1696 PolarHBondContact O-N 3.14Å; I1696-N1698 VanDerWaalsContact C-N 3.31Å; I1696-N1698 PolarHBondContact O-N 3.07Å; I1696-L1699 VanDerWaalsContact O-CB 3.32Å; I1696-L1699 WeakPolarHBondContact O-CB 3.37Å; I1696-L1699 PolarHBondContact O-N 3.13Å; I1696-L1699 VanDerWaalsContact O-N 3.12Å; I1696-F1711 HydrophobicContact CG1-CE2 4.12Å; I1696-F1711 HydrophobicContact CG1-CZ 4.24Å; I1696-K1763 HydrophobicContact CG2-CG 4.39Å; I1696-K1763 WeakPolarHBondContact O-CE 3.41Å; I1696-K1763 PolarHBondContact O-NZ 3.23Å; I1696-L1766 HydrophobicContact CD1-CB 4.15Å; I1696-L1766 HydrophobicContact CD1-CD2 4.39Å; I1696-L1766 WeakPolarHBondContact CD1-O 3.33Å; I1696-L1766 HydrophobicContact CG1-CB 3.79Å; I1696-L1766 HydrophobicContact CG1-CD2 3.94Å; I1696-E1767 HydrophobicContact CD1-CG 4.17Å; I1696-E1767 HydrophobicContact CG1-CG 4.42Å; I1696-E1767 HydrophobicContact CG2-CG 3.68Å; I1696-L1769 HydrophobicContact CD1-CB 4.38Å; I1696-Q1770 HydrophobicContact CD1-CB 3.93Å; I1696-Q1770 HydrophobicContact CD1-CG 4.43Å; I1696-I1771 HydrophobicContact CD1-CD1 3.9Å; I1696-I1771 HydrophobicContact CD1-CG2 4.42Å; I1696-L1773 HydrophobicContact CD1-CD1 3.67Å; I1696-L1773 HydrophobicContact CG2-CD1 3.89Å |
| 1697 | S | 55.9 | Low | 51.1 | Low | 78.8 Ų | 78.8 | 73.8 Ų | 73.8 | 55% | 0.551 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -71.1 | -25.4 | 178.1 | 39.2 | 0 | 0 | 0 | 0 | 113.6 | S1693 F1694 L1695 L1699 | S1693-S1697 VanDerWaalsContact O-CB 3.3Å; S1693-S1697 WeakPolarHBondContact O-CB 3.29Å; S1693-S1697 PolarHBondContact O-N 3.29Å; S1693-S1697 VanDerWaalsContact O-N 3.13Å; S1693-S1697 PolarHBondContact O-OG 2.99Å; F1694-S1697 WeakPolarHBondContact CA-OG 3.36Å; F1694-S1697 PolarHBondContact O-N 3.4Å; F1694-S1697 PolarHBondContact O-OG 2.95Å; L1695-S1697 VanDerWaalsContact C-N 3.28Å; L1695-S1697 PolarHBondContact O-N 3.15Å; S1697-L1699 PolarHBondContact O-N 2.75Å |
| 1698 | N | 55.3 | Low | 52.1 | Low | 70.4 Ų | 70.4 | 72.8 Ų | 72.8 | 38% | 0.376 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -12.7 | 178.1 | -73.1 | -53.9 | 0 | 0 | 0 | 113.9 | F1694 L1695 I1696 R1700 E1701 D1702 I1705 | F1694-N1698 VanDerWaalsContact CD1-ND2 3.3Å; F1694-N1698 WeakPolarHBondContact CD1-ND2 3.4Å; F1694-N1698 VanDerWaalsContact CE1-ND2 3.33Å; F1694-N1698 WeakPolarHBondContact CE1-ND2 3.39Å; F1694-N1698 WeakPolarHBondContact CE2-ND2 3.32Å; F1694-N1698 VanDerWaalsContact CZ-ND2 3.3Å; F1694-N1698 WeakPolarHBondContact CZ-ND2 3.44Å; F1694-N1698 VanDerWaalsContact O-CB 3.26Å; F1694-N1698 WeakPolarHBondContact O-CB 3.17Å; F1694-N1698 PolarHBondContact O-N 3.14Å; F1694-N1698 VanDerWaalsContact O-N 3.07Å; F1694-N1698 PolarHBondContact O-ND2 2.94Å; F1694-N1698 PolarHBondContact O-OD1 3.19Å; L1695-N1698 PolarHBondContact O-N 2.99Å; I1696-N1698 VanDerWaalsContact C-N 3.31Å; I1696-N1698 PolarHBondContact O-N 3.07Å; N1698-R1700 PolarHBondContact O-N 3.16Å; N1698-E1701 PolarHBondContact O-N 3.05Å; N1698-D1702 PolarHBondContact O-N 3.29Å; N1698-D1702 VanDerWaalsContact O-N 3.16Å; N1698-I1705 HydrophobicContact CB-CD1 4.12Å |
| 1699 | L | 54.3 | Low | 53 | Low | 26.2 Ų | 26.2 | 74.1 Ų | 74.1 | 14% | 0.137 | 38% | 0.377 | C | S | . | . | trans | -64.6 | 80 | 172.4 | -79.1 | 166.3 | 0 | 0 | 0 | 111.8 | L1695 I1696 S1697 I1705 V1706 N1708 F1711 L1762 L1766 | L1695-L1699 VanDerWaalsContact O-CB 3.24Å; L1695-L1699 WeakPolarHBondContact O-CB 3.46Å; L1695-L1699 WeakPolarHBondContact O-CD1 3.35Å; L1695-L1699 WeakPolarHBondContact O-CG 3.21Å; L1695-L1699 PolarHBondContact O-N 2.93Å; I1696-L1699 VanDerWaalsContact O-CB 3.32Å; I1696-L1699 WeakPolarHBondContact O-CB 3.37Å; I1696-L1699 PolarHBondContact O-N 3.13Å; I1696-L1699 VanDerWaalsContact O-N 3.12Å; S1697-L1699 PolarHBondContact O-N 2.75Å; L1699-I1705 HydrophobicContact CD1-CD1 4.45Å; L1699-I1705 HydrophobicContact CD1-CG1 3.92Å; L1699-I1705 HydrophobicContact CD2-CB 4.21Å; L1699-I1705 HydrophobicContact CD2-CG1 4.38Å; L1699-I1705 HydrophobicContact CD2-CG2 3.9Å; L1699-I1705 HydrophobicContact CG-CG2 4.37Å; L1699-V1706 HydrophobicContact CD2-CG2 4.06Å; L1699-N1708 HydrophobicContact CD2-CB 4.4Å; L1699-F1711 HydrophobicContact CD1-CD2 4.12Å; L1699-F1711 HydrophobicContact CD1-CE1 4.37Å; L1699-F1711 HydrophobicContact CD1-CE2 3.81Å; L1699-F1711 HydrophobicContact CD1-CG 4.28Å; L1699-F1711 HydrophobicContact CD1-CZ 3.85Å; L1699-F1711 HydrophobicContact CD2-CB 4.01Å; L1699-F1711 HydrophobicContact CD2-CD1 4.19Å; L1699-F1711 HydrophobicContact CD2-CD2 3.86Å; L1699-F1711 HydrophobicContact CD2-CE1 4.21Å; L1699-F1711 HydrophobicContact CD2-CE2 3.85Å; L1699-F1711 HydrophobicContact CD2-CG 4Å; L1699-F1711 HydrophobicContact CD2-CZ 4.05Å; L1699-F1711 HydrophobicContact CG-CD2 4.04Å; L1699-F1711 HydrophobicContact CG-CE2 3.91Å; L1699-F1711 HydrophobicContact CG-CG 4.36Å; L1699-F1711 HydrophobicContact CG-CZ 4.07Å; L1699-L1762 HydrophobicContact CD2-CB 4.36Å; L1699-L1762 HydrophobicContact CD2-CD1 4.36Å; L1699-L1766 HydrophobicContact CD1-CD1 3.68Å; L1699-L1766 HydrophobicContact CD1-CD2 4.33Å | ||
| 1700 | R | 50.3 | Low | 53.7 | Low | 182.6 Ų | 182.6 | 75.4 Ų | 75.4 | 69% | 0.689 | 39% | 0.386 | S | S | * | . | trans | -84.8 | 120.6 | 172 | -80.2 | -175.4 | 177.5 | -156.1 | -3 | 111.6 | N1698 D1702 E1703 D1760 K1763 | N1698-R1700 PolarHBondContact O-N 3.16Å; R1700-D1702 PolarHBondContact O-N 3.17Å; R1700-E1703 HydrophobicContact CB-CB 4.46Å; R1700-E1703 HydrophobicContact CB-CG 4.17Å; R1700-E1703 WeakPolarHBondContact CD-OE1 3.36Å; R1700-E1703 PolarHBondContact O-N 3.35Å; R1700-D1760 IonicContact CZ-OD1 3.99Å; R1700-D1760 IonicContact NE-OD1 3.3Å; R1700-D1760 PolarHBondContact NE-OD1 3.08Å; R1700-D1760 VanDerWaalsContact NE-OD1 3.1Å; R1700-D1760 IonicContact NH2-OD1 2.71Å; R1700-D1760 PolarHBondContact NH2-OD1 2.61Å; R1700-K1763 HydrophobicContact CG-CD 3.94Å | ||
| 1701 | E | 48.2 | Very low | 54.3 | Low | 175 Ų | 175 | 69.7 Ų | 69.7 | 82% | 0.818 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -26 | -175.2 | -61.5 | -175.1 | 158.5 | 0 | 0 | 113.3 | N1698 M1778 L1791 | N1698-E1701 PolarHBondContact O-N 3.05Å; E1701-M1778 WeakPolarHBondContact OE2-CE 3.5Å; E1701-L1791 WeakPolarHBondContact OE1-CD2 3.23Å |
| 1702 | D | 47.9 | Very low | 54.9 | Low | 129.2 Ų | 129.2 | 66 Ų | 66 | 69% | 0.691 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | 36 | 178.5 | -72.2 | -48.5 | 0 | 0 | 0 | 114.1 | N1698 R1700 D1704 I1705 | N1698-D1702 PolarHBondContact O-N 3.29Å; N1698-D1702 VanDerWaalsContact O-N 3.16Å; R1700-D1702 PolarHBondContact O-N 3.17Å; D1702-D1704 PolarHBondContact O-N 3.24Å; D1702-I1705 HydrophobicContact CB-CB 4.28Å; D1702-I1705 HydrophobicContact CB-CD1 4Å; D1702-I1705 HydrophobicContact CB-CG1 3.95Å; D1702-I1705 PolarHBondContact O-N 3.25Å |
| 1703 | E | 48.9 | Very low | 55.4 | Low | 96.4 Ų | 96.4 | 68.7 Ų | 68.7 | 45% | 0.45 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -75.4 | 75 | 176.5 | -82.4 | -168.4 | -160.9 | 0 | 0 | 112.7 | R1700 I1705 V1706 T1707 N1708 K1755 | R1700-E1703 HydrophobicContact CB-CB 4.46Å; R1700-E1703 HydrophobicContact CB-CG 4.17Å; R1700-E1703 WeakPolarHBondContact CD-OE1 3.36Å; R1700-E1703 PolarHBondContact O-N 3.35Å; E1703-I1705 PolarHBondContact O-N 3.12Å; E1703-I1705 VanDerWaalsContact O-N 3.13Å; E1703-V1706 PolarHBondContact O-N 3.14Å; E1703-T1707 WeakPolarHBondContact O-CB 3.34Å; E1703-T1707 WeakPolarHBondContact O-CG2 3.1Å; E1703-T1707 PolarHBondContact O-N 3.21Å; E1703-T1707 VanDerWaalsContact O-N 3.15Å; E1703-T1707 PolarHBondContact O-OG1 2.86Å; E1703-N1708 PolarHBondContact OE2-ND2 3.06Å; E1703-K1755 IonicContact OE2-NZ 2.68Å; E1703-K1755 PolarHBondContact OE2-NZ 3Å |
| 1704 | D | 53.8 | Low | 55.7 | Low | 107.8 Ų | 107.8 | 70.6 Ų | 70.6 | 58% | 0.576 | 36% | 0.361 | S | S | * | . | trans | -67.1 | 60.4 | 177.9 | -142.4 | -3.2 | 0 | 0 | 0 | 111.6 | D1702 V1706 T1707 N1708 | D1702-D1704 PolarHBondContact O-N 3.24Å; D1704-V1706 PolarHBondContact O-N 3.12Å; D1704-V1706 VanDerWaalsContact O-N 3.08Å; D1704-V1706 PolarHBondContact OD1-N 2.8Å; D1704-T1707 WeakPolarHBondContact CA-OG1 3.4Å; D1704-T1707 HydrophobicContact CB-CG2 4.09Å; D1704-T1707 WeakPolarHBondContact O-CA 3.44Å; D1704-T1707 WeakPolarHBondContact O-CB 3.48Å; D1704-T1707 PolarHBondContact O-N 3.13Å; D1704-T1707 PolarHBondContact O-OG1 3.09Å; D1704-T1707 WeakPolarHBondContact OD2-CG2 3.45Å; D1704-N1708 WeakPolarHBondContact O-CB 3.36Å; D1704-N1708 PolarHBondContact O-N 2.99Å; D1704-N1708 VanDerWaalsContact O-N 3.15Å | ||
| 1705 | I | 55.6 | Low | 56 | Low | 41.8 Ų | 41.8 | 65 Ų | 65 | 21% | 0.214 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -39.8 | -176.9 | -57.3 | 177 | 0 | 0 | 0 | 111.7 | N1698 L1699 D1702 E1703 T1707 N1708 F1711 V1712 L1762 L1766 | N1698-I1705 HydrophobicContact CB-CD1 4.12Å; L1699-I1705 HydrophobicContact CD1-CD1 4.45Å; L1699-I1705 HydrophobicContact CD1-CG1 3.92Å; L1699-I1705 HydrophobicContact CD2-CB 4.21Å; L1699-I1705 HydrophobicContact CD2-CG1 4.38Å; L1699-I1705 HydrophobicContact CD2-CG2 3.9Å; L1699-I1705 HydrophobicContact CG-CG2 4.37Å; D1702-I1705 HydrophobicContact CB-CB 4.28Å; D1702-I1705 HydrophobicContact CB-CD1 4Å; D1702-I1705 HydrophobicContact CB-CG1 3.95Å; D1702-I1705 PolarHBondContact O-N 3.25Å; E1703-I1705 PolarHBondContact O-N 3.12Å; E1703-I1705 VanDerWaalsContact O-N 3.13Å; I1705-T1707 VanDerWaalsContact C-N 3.29Å; I1705-T1707 PolarHBondContact O-N 2.87Å; I1705-N1708 WeakPolarHBondContact O-CB 3.16Å; I1705-N1708 PolarHBondContact O-N 3Å; I1705-F1711 HydrophobicContact CG2-CD1 3.73Å; I1705-F1711 HydrophobicContact CG2-CE1 3.58Å; I1705-V1712 WeakPolarHBondContact O-CG2 3.4Å; I1705-L1762 HydrophobicContact CG2-CD1 4.25Å; I1705-L1766 HydrophobicContact CD1-CD1 4.02Å; I1705-L1766 HydrophobicContact CG2-CD1 4.41Å |
| 1706 | V | 55.5 | Low | 56.3 | Low | 10.4 Ų | 10.4 | 63.8 Ų | 63.8 | 6% | 0.063 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -24 | -178.4 | -174.7 | 0 | 0 | 0 | 0 | 112 | L1699 E1703 D1704 L1748 K1755 L1758 L1762 | L1699-V1706 HydrophobicContact CD2-CG2 4.06Å; E1703-V1706 PolarHBondContact O-N 3.14Å; D1704-V1706 PolarHBondContact O-N 3.12Å; D1704-V1706 VanDerWaalsContact O-N 3.08Å; D1704-V1706 PolarHBondContact OD1-N 2.8Å; V1706-L1748 HydrophobicContact CG1-CD2 4.01Å; V1706-L1748 WeakPolarHBondContact O-CD2 3.32Å; V1706-K1755 HydrophobicContact CG1-CB 4.03Å; V1706-K1755 HydrophobicContact CG1-CG 4.23Å; V1706-K1755 WeakPolarHBondContact CG1-O 3.46Å; V1706-K1755 WeakPolarHBondContact CG2-O 3.46Å; V1706-L1758 HydrophobicContact CG1-CB 4.24Å; V1706-L1758 HydrophobicContact CG1-CD2 4.08Å; V1706-L1758 HydrophobicContact CG1-CG 4.05Å; V1706-L1762 HydrophobicContact CG1-CD1 4.31Å; V1706-L1762 HydrophobicContact CG2-CD1 4.38Å |
| 1707 | T | 58.1 | Low | 56.4 | Low | 68 Ų | 68 | 66.4 Ų | 66.4 | 42% | 0.417 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -18 | 178.3 | 65.3 | 0 | 0 | 0 | 0 | 113.7 | E1703 D1704 I1705 T1709 K1755 | E1703-T1707 WeakPolarHBondContact O-CB 3.34Å; E1703-T1707 WeakPolarHBondContact O-CG2 3.1Å; E1703-T1707 PolarHBondContact O-N 3.21Å; E1703-T1707 VanDerWaalsContact O-N 3.15Å; E1703-T1707 PolarHBondContact O-OG1 2.86Å; D1704-T1707 WeakPolarHBondContact CA-OG1 3.4Å; D1704-T1707 HydrophobicContact CB-CG2 4.09Å; D1704-T1707 WeakPolarHBondContact O-CA 3.44Å; D1704-T1707 WeakPolarHBondContact O-CB 3.48Å; D1704-T1707 PolarHBondContact O-N 3.13Å; D1704-T1707 PolarHBondContact O-OG1 3.09Å; D1704-T1707 WeakPolarHBondContact OD2-CG2 3.45Å; I1705-T1707 VanDerWaalsContact C-N 3.29Å; I1705-T1707 PolarHBondContact O-N 2.87Å; T1707-T1709 VanDerWaalsContact C-N 3.32Å; T1707-T1709 PolarHBondContact O-N 3.27Å; T1707-K1755 HydrophobicContact CG2-CD 3.88Å; T1707-K1755 VanDerWaalsContact CG2-CE 3.5Å; T1707-K1755 VanDerWaalsContact CG2-NZ 3.31Å |
| 1708 | N | 61.5 | Low | 56.3 | Low | 41.8 Ų | 41.8 | 63 Ų | 63 | 22% | 0.224 | 33% | 0.325 | C | S | . | . | trans | -72.3 | 89.4 | 176.1 | -171.6 | -23.9 | 0 | 0 | 0 | 110.6 | L1699 E1703 D1704 I1705 S1710 F1711 V1712 | L1699-N1708 HydrophobicContact CD2-CB 4.4Å; E1703-N1708 PolarHBondContact OE2-ND2 3.06Å; D1704-N1708 WeakPolarHBondContact O-CB 3.36Å; D1704-N1708 PolarHBondContact O-N 2.99Å; D1704-N1708 VanDerWaalsContact O-N 3.15Å; I1705-N1708 WeakPolarHBondContact O-CB 3.16Å; I1705-N1708 PolarHBondContact O-N 3Å; N1708-S1710 VanDerWaalsContact C-N 3.27Å; N1708-S1710 PolarHBondContact O-N 3.07Å; N1708-S1710 VanDerWaalsContact O-N 3.12Å; N1708-S1710 WeakPolarHBondContact OD1-CB 3.47Å; N1708-S1710 PolarHBondContact OD1-N 3.38Å; N1708-S1710 VanDerWaalsContact OD1-N 3.15Å; N1708-S1710 PolarHBondContact OD1-OG 3.1Å; N1708-S1710 VanDerWaalsContact OD1-OG 3.07Å; N1708-F1711 HydrophobicContact CB-CB 4.12Å; N1708-F1711 WeakPolarHBondContact O-CB 3.32Å; N1708-F1711 PolarHBondContact O-N 2.98Å; N1708-F1711 VanDerWaalsContact O-N 3.1Å; N1708-F1711 PolarHBondContact OD1-N 3.23Å; N1708-V1712 PolarHBondContact O-N 3.18Å; N1708-V1712 VanDerWaalsContact O-N 3.13Å | ||
| 1709 | T | 60.5 | Low | 56.2 | Low | 47 Ų | 47 | 60.1 Ų | 60.1 | 29% | 0.288 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -52.9 | -33.8 | 178.7 | 50.3 | 0 | 0 | 0 | 0 | 113.3 | T1707 V1712 E1713 I1744 K1745 L1748 | T1707-T1709 VanDerWaalsContact C-N 3.32Å; T1707-T1709 PolarHBondContact O-N 3.27Å; T1709-V1712 PolarHBondContact O-N 3.19Å; T1709-E1713 VanDerWaalsContact O-CB 3.28Å; T1709-E1713 WeakPolarHBondContact O-CB 3.39Å; T1709-E1713 VanDerWaalsContact O-CG 3.23Å; T1709-E1713 WeakPolarHBondContact O-CG 3.35Å; T1709-E1713 PolarHBondContact O-N 2.96Å; T1709-I1744 HydrophobicContact CG2-CG2 4.39Å; T1709-K1745 HydrophobicContact CG2-CG 3.86Å; T1709-L1748 HydrophobicContact CG2-CD1 3.78Å |
| 1710 | S | 60 | Low | 56.1 | Low | 61.4 Ų | 61.4 | 62 Ų | 62 | 43% | 0.429 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -72.6 | -36.2 | -179.7 | 71 | 0 | 0 | 0 | 0 | 112.7 | N1708 N1714 | N1708-S1710 VanDerWaalsContact C-N 3.27Å; N1708-S1710 PolarHBondContact O-N 3.07Å; N1708-S1710 VanDerWaalsContact O-N 3.12Å; N1708-S1710 WeakPolarHBondContact OD1-CB 3.47Å; N1708-S1710 PolarHBondContact OD1-N 3.38Å; N1708-S1710 VanDerWaalsContact OD1-N 3.15Å; N1708-S1710 PolarHBondContact OD1-OG 3.1Å; N1708-S1710 VanDerWaalsContact OD1-OG 3.07Å; S1710-N1714 VanDerWaalsContact O-CB 3.25Å; S1710-N1714 WeakPolarHBondContact O-CB 3.38Å; S1710-N1714 VanDerWaalsContact O-CG 3.27Å; S1710-N1714 PolarHBondContact O-N 3.12Å; S1710-N1714 PolarHBondContact O-ND2 3.13Å; S1710-N1714 VanDerWaalsContact O-ND2 3.08Å |
| 1711 | F | 60.2 | Low | 56.1 | Low | 19 Ų | 19 | 58.6 Ų | 58.6 | 8% | 0.083 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.7 | -47.5 | 173 | 176.7 | -98.4 | 0 | 0 | 0 | 110.8 | L1695 I1696 L1699 I1705 N1708 E1713 N1714 L1715 L1762 L1766 | L1695-F1711 HydrophobicContact CB-CD2 4.45Å; L1695-F1711 HydrophobicContact CB-CE2 4.28Å; L1695-F1711 HydrophobicContact CD2-CD2 3.86Å; L1695-F1711 HydrophobicContact CD2-CE2 4.03Å; L1695-F1711 WeakPolarHBondContact O-CD2 3.21Å; L1695-F1711 WeakPolarHBondContact O-CE2 3.44Å; I1696-F1711 HydrophobicContact CG1-CE2 4.12Å; I1696-F1711 HydrophobicContact CG1-CZ 4.24Å; L1699-F1711 HydrophobicContact CD1-CD2 4.12Å; L1699-F1711 HydrophobicContact CD1-CE1 4.37Å; L1699-F1711 HydrophobicContact CD1-CE2 3.81Å; L1699-F1711 HydrophobicContact CD1-CG 4.28Å; L1699-F1711 HydrophobicContact CD1-CZ 3.85Å; L1699-F1711 HydrophobicContact CD2-CB 4.01Å; L1699-F1711 HydrophobicContact CD2-CD1 4.19Å; L1699-F1711 HydrophobicContact CD2-CD2 3.86Å; L1699-F1711 HydrophobicContact CD2-CE1 4.21Å; L1699-F1711 HydrophobicContact CD2-CE2 3.85Å; L1699-F1711 HydrophobicContact CD2-CG 4Å; L1699-F1711 HydrophobicContact CD2-CZ 4.05Å; L1699-F1711 HydrophobicContact CG-CD2 4.04Å; L1699-F1711 HydrophobicContact CG-CE2 3.91Å; L1699-F1711 HydrophobicContact CG-CG 4.36Å; L1699-F1711 HydrophobicContact CG-CZ 4.07Å; I1705-F1711 HydrophobicContact CG2-CD1 3.73Å; I1705-F1711 HydrophobicContact CG2-CE1 3.58Å; N1708-F1711 HydrophobicContact CB-CB 4.12Å; N1708-F1711 WeakPolarHBondContact O-CB 3.32Å; N1708-F1711 PolarHBondContact O-N 2.98Å; N1708-F1711 VanDerWaalsContact O-N 3.1Å; N1708-F1711 PolarHBondContact OD1-N 3.23Å; F1711-E1713 PolarHBondContact O-N 3.23Å; F1711-N1714 PolarHBondContact O-N 2.98Å; F1711-L1715 HydrophobicContact CE1-CB 4.48Å; F1711-L1715 HydrophobicContact CE1-CD2 3.91Å; F1711-L1715 HydrophobicContact CZ-CD2 4.22Å; F1711-L1715 VanDerWaalsContact O-CB 3.27Å; F1711-L1715 WeakPolarHBondContact O-CB 3.28Å; F1711-L1715 PolarHBondContact O-N 3.18Å; F1711-L1762 HydrophobicContact CE1-CD1 4.35Å; F1711-L1762 HydrophobicContact CE1-CD2 4.16Å; F1711-L1766 HydrophobicContact CE1-CD1 4.22Å; F1711-L1766 HydrophobicContact CZ-CD1 4.23Å; F1711-L1766 HydrophobicContact CZ-CD2 4.05Å |
| 1712 | V | 60.9 | Low | 55.9 | Low | 2.2 Ų | 2.2 | 52.1 Ų | 52.1 | 1% | 0.013 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 178.8 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | I1705 N1708 T1709 L1715 C1716 I1737 I1744 L1748 L1762 | I1705-V1712 WeakPolarHBondContact O-CG2 3.4Å; N1708-V1712 PolarHBondContact O-N 3.18Å; N1708-V1712 VanDerWaalsContact O-N 3.13Å; T1709-V1712 PolarHBondContact O-N 3.19Å; V1712-L1715 PolarHBondContact O-N 3.09Å; V1712-C1716 VanDerWaalsContact O-CB 3.31Å; V1712-C1716 WeakPolarHBondContact O-CB 3.22Å; V1712-C1716 PolarHBondContact O-N 3.15Å; V1712-C1716 PolarHBondContact O-SG 3.17Å; V1712-I1737 HydrophobicContact CG1-CD1 4.17Å; V1712-I1737 HydrophobicContact CG1-CG2 4.04Å; V1712-I1744 HydrophobicContact CB-CG2 4.3Å; V1712-I1744 HydrophobicContact CG1-CG2 4.22Å; V1712-L1748 HydrophobicContact CB-CD1 4.27Å; V1712-L1748 HydrophobicContact CG1-CD1 4.32Å; V1712-L1748 HydrophobicContact CG2-CD1 4.31Å; V1712-L1748 HydrophobicContact CG2-CD2 4.38Å; V1712-L1762 HydrophobicContact CG2-CD1 4.21Å |
| 1713 | E | 60.5 | Low | 55.6 | Low | 62.4 Ų | 62.4 | 53.4 Ų | 53.4 | 29% | 0.292 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 174.4 | -77.7 | 169.5 | -174.9 | 0 | 0 | 111.1 | T1709 F1711 C1716 T1717 I1744 K1745 | T1709-E1713 VanDerWaalsContact O-CB 3.28Å; T1709-E1713 WeakPolarHBondContact O-CB 3.39Å; T1709-E1713 VanDerWaalsContact O-CG 3.23Å; T1709-E1713 WeakPolarHBondContact O-CG 3.35Å; T1709-E1713 PolarHBondContact O-N 2.96Å; F1711-E1713 PolarHBondContact O-N 3.23Å; E1713-C1716 PolarHBondContact O-N 3.19Å; E1713-T1717 WeakPolarHBondContact O-CB 3.33Å; E1713-T1717 PolarHBondContact O-N 3.18Å; E1713-T1717 VanDerWaalsContact O-N 3.08Å; E1713-T1717 PolarHBondContact O-OG1 2.89Å; E1713-I1744 HydrophobicContact CB-CD1 4.42Å; E1713-I1744 HydrophobicContact CG-CB 4.28Å; E1713-I1744 HydrophobicContact CG-CD1 3.7Å; E1713-I1744 VanDerWaalsContact CG-CD1 3.5Å; E1713-I1744 HydrophobicContact CG-CG1 4.5Å; E1713-I1744 HydrophobicContact CG-CG2 4.04Å; E1713-K1745 WeakPolarHBondContact OE1-CE 3.17Å; E1713-K1745 IonicContact OE1-NZ 3.3Å; E1713-K1745 PolarHBondContact OE1-NZ 3.07Å; E1713-K1745 IonicContact OE2-NZ 2.88Å; E1713-K1745 PolarHBondContact OE2-NZ 3.25Å |
| 1714 | N | 59.4 | Low | 55.5 | Low | 81.4 Ų | 81.4 | 50.3 Ų | 50.3 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.4 | -42.3 | 178.9 | -73.5 | -19.5 | 0 | 0 | 0 | 113 | L1695 S1710 F1711 T1717 A1718 L1791 R1810 | L1695-N1714 HydrophobicContact CD1-CB 4.26Å; L1695-N1714 HydrophobicContact CD2-CB 3.65Å; L1695-N1714 VanDerWaalsContact CD2-CB 3.49Å; L1695-N1714 HydrophobicContact CG-CB 4.47Å; S1710-N1714 VanDerWaalsContact O-CB 3.25Å; S1710-N1714 WeakPolarHBondContact O-CB 3.38Å; S1710-N1714 VanDerWaalsContact O-CG 3.27Å; S1710-N1714 PolarHBondContact O-N 3.12Å; S1710-N1714 PolarHBondContact O-ND2 3.13Å; S1710-N1714 VanDerWaalsContact O-ND2 3.08Å; F1711-N1714 PolarHBondContact O-N 2.98Å; N1714-T1717 CarbonylContact O-C 3.57Å; N1714-T1717 WeakPolarHBondContact O-CA 3.48Å; N1714-T1717 WeakPolarHBondContact O-CB 3.44Å; N1714-T1717 PolarHBondContact O-N 3.3Å; N1714-T1717 VanDerWaalsContact O-N 3.14Å; N1714-A1718 WeakPolarHBondContact O-CB 3.32Å; N1714-A1718 PolarHBondContact O-N 3.13Å; N1714-L1791 HydrophobicContact CB-CD2 4.08Å; N1714-R1810 PolarHBondContact O-NH2 3.22Å |
| 1715 | L | 59.9 | Low | 54.9 | Low | 8.8 Ų | 8.8 | 50.3 Ų | 50.3 | 5% | 0.046 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.5 | -47 | 177.2 | -176.2 | 70.9 | 0 | 0 | 0 | 110.9 | L1692 F1711 V1712 T1717 A1718 V1719 L1734 L1762 F1765 L1766 L1769 L1788 | L1692-L1715 HydrophobicContact CD2-CD1 3.98Å; F1711-L1715 HydrophobicContact CE1-CB 4.48Å; F1711-L1715 HydrophobicContact CE1-CD2 3.91Å; F1711-L1715 HydrophobicContact CZ-CD2 4.22Å; F1711-L1715 VanDerWaalsContact O-CB 3.27Å; F1711-L1715 WeakPolarHBondContact O-CB 3.28Å; F1711-L1715 PolarHBondContact O-N 3.18Å; V1712-L1715 PolarHBondContact O-N 3.09Å; L1715-T1717 VanDerWaalsContact C-N 3.29Å; L1715-T1717 PolarHBondContact O-N 3.13Å; L1715-A1718 WeakPolarHBondContact O-CA 3.04Å; L1715-A1718 VanDerWaalsContact O-CB 3.31Å; L1715-A1718 WeakPolarHBondContact O-CB 3.35Å; L1715-A1718 PolarHBondContact O-N 3.22Å; L1715-V1719 WeakPolarHBondContact O-CB 3.37Å; L1715-V1719 VanDerWaalsContact O-CG2 3.27Å; L1715-V1719 WeakPolarHBondContact O-CG2 3.39Å; L1715-V1719 PolarHBondContact O-N 3.16Å; L1715-L1734 HydrophobicContact CD2-CD2 4.11Å; L1715-L1762 HydrophobicContact CD2-CD2 3.49Å; L1715-L1762 VanDerWaalsContact CD2-CD2 3.45Å; L1715-F1765 HydrophobicContact CD1-CE1 4.25Å; L1715-F1765 HydrophobicContact CD2-CD1 4.3Å; L1715-F1765 HydrophobicContact CD2-CE1 4.2Å; L1715-F1765 HydrophobicContact CG-CE1 4.23Å; L1715-L1766 HydrophobicContact CD1-CD2 4.33Å; L1715-L1766 HydrophobicContact CD2-CD2 4.48Å; L1715-L1769 HydrophobicContact CD1-CD1 4.23Å; L1715-L1788 HydrophobicContact CD1-CD2 3.75Å |
| 1716 | C | 59.3 | Low | 54.5 | Low | 3.8 Ų | 3.8 | 50.7 Ų | 50.7 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.4 | -35.8 | 175.7 | -66.7 | 0 | 0 | 0 | 0 | 111.9 | V1712 E1713 A1718 V1719 T1720 I1737 I1738 I1744 | V1712-C1716 VanDerWaalsContact O-CB 3.31Å; V1712-C1716 WeakPolarHBondContact O-CB 3.22Å; V1712-C1716 PolarHBondContact O-N 3.15Å; V1712-C1716 PolarHBondContact O-SG 3.17Å; E1713-C1716 PolarHBondContact O-N 3.19Å; C1716-A1718 VanDerWaalsContact C-N 3.26Å; C1716-A1718 PolarHBondContact O-N 2.76Å; C1716-V1719 PolarHBondContact O-N 3.19Å; C1716-T1720 WeakPolarHBondContact O-CB 3.28Å; C1716-T1720 WeakPolarHBondContact O-CG2 3.28Å; C1716-T1720 PolarHBondContact O-N 3.17Å; C1716-T1720 PolarHBondContact O-OG1 3.24Å; C1716-I1737 HydrophobicContact CB-CG2 4.39Å; C1716-I1737 VanDerWaalsContact SG-CG2 3.54Å; C1716-I1737 WeakPolarHBondContact SG-CG2 3.41Å; C1716-I1738 HydrophobicContact CB-CG1 4.14Å; C1716-I1738 VanDerWaalsContact SG-CG1 3.51Å; C1716-I1744 HydrophobicContact CB-CD1 4.03Å |
| 1717 | T | 58 | Low | 54.1 | Low | 79.2 Ų | 79.2 | 54.5 Ų | 54.5 | 49% | 0.486 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 174 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | E1713 N1714 L1715 V1719 T1720 K1721 R1810 | E1713-T1717 WeakPolarHBondContact O-CB 3.33Å; E1713-T1717 PolarHBondContact O-N 3.18Å; E1713-T1717 VanDerWaalsContact O-N 3.08Å; E1713-T1717 PolarHBondContact O-OG1 2.89Å; N1714-T1717 CarbonylContact O-C 3.57Å; N1714-T1717 WeakPolarHBondContact O-CA 3.48Å; N1714-T1717 WeakPolarHBondContact O-CB 3.44Å; N1714-T1717 PolarHBondContact O-N 3.3Å; N1714-T1717 VanDerWaalsContact O-N 3.14Å; L1715-T1717 VanDerWaalsContact C-N 3.29Å; L1715-T1717 PolarHBondContact O-N 3.13Å; T1717-V1719 PolarHBondContact O-N 2.87Å; T1717-T1720 WeakPolarHBondContact CA-OG1 3.36Å; T1717-T1720 PolarHBondContact O-N 3.33Å; T1717-T1720 PolarHBondContact O-OG1 2.89Å; T1717-T1720 VanDerWaalsContact O-OG1 3.13Å; T1717-K1721 WeakPolarHBondContact O-CB 3.3Å; T1717-K1721 PolarHBondContact O-N 3.04Å; T1717-R1810 PolarHBondContact O-NH1 3.34Å |
| 1718 | A | 53.1 | Low | 53.4 | Low | 9 Ų | 9 | 54.8 Ų | 54.8 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.7 | -49.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1692 L1695 N1714 L1715 C1716 T1720 K1721 Y1722 L1788 | L1692-A1718 HydrophobicContact CD2-CB 4.18Å; L1695-A1718 HydrophobicContact CD1-CB 4.32Å; N1714-A1718 WeakPolarHBondContact O-CB 3.32Å; N1714-A1718 PolarHBondContact O-N 3.13Å; L1715-A1718 WeakPolarHBondContact O-CA 3.04Å; L1715-A1718 VanDerWaalsContact O-CB 3.31Å; L1715-A1718 WeakPolarHBondContact O-CB 3.35Å; L1715-A1718 PolarHBondContact O-N 3.22Å; C1716-A1718 VanDerWaalsContact C-N 3.26Å; C1716-A1718 PolarHBondContact O-N 2.76Å; A1718-T1720 VanDerWaalsContact C-N 3.3Å; A1718-T1720 PolarHBondContact O-N 2.94Å; A1718-K1721 PolarHBondContact O-N 3.19Å; A1718-Y1722 HydrophobicContact CB-CD2 4.42Å; A1718-Y1722 HydrophobicContact CB-CE2 4.47Å; A1718-Y1722 WeakPolarHBondContact O-CB 3.37Å; A1718-Y1722 VanDerWaalsContact O-CD2 3.25Å; A1718-Y1722 WeakPolarHBondContact O-CD2 3.32Å; A1718-Y1722 PolarHBondContact O-N 3.25Å; A1718-L1788 HydrophobicContact CB-CD2 3.73Å; A1718-L1788 HydrophobicContact CB-CG 4.3Å |
| 1719 | V | 53.8 | Low | 52.8 | Low | 9 Ų | 9 | 62.2 Ų | 62.2 | 6% | 0.055 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.3 | -42.9 | 178 | 170.4 | 0 | 0 | 0 | 0 | 112.2 | L1715 C1716 T1717 H1723 L1724 I1726 I1738 F1765 | L1715-V1719 WeakPolarHBondContact O-CB 3.37Å; L1715-V1719 VanDerWaalsContact O-CG2 3.27Å; L1715-V1719 WeakPolarHBondContact O-CG2 3.39Å; L1715-V1719 PolarHBondContact O-N 3.16Å; C1716-V1719 PolarHBondContact O-N 3.19Å; T1717-V1719 PolarHBondContact O-N 2.87Å; V1719-H1723 WeakPolarHBondContact O-CA 3.36Å; V1719-H1723 PolarHBondContact O-N 3.05Å; V1719-H1723 VanDerWaalsContact O-N 3.15Å; V1719-L1724 HydrophobicContact CB-CD1 4.4Å; V1719-L1724 HydrophobicContact CG1-CB 4.25Å; V1719-L1724 HydrophobicContact CG1-CD1 4.21Å; V1719-L1724 HydrophobicContact CG2-CB 4.35Å; V1719-L1724 HydrophobicContact CG2-CD1 4.19Å; V1719-L1724 PolarHBondContact O-N 3.15Å; V1719-L1724 VanDerWaalsContact O-N 3.11Å; V1719-I1726 HydrophobicContact CB-CD1 4.36Å; V1719-I1726 HydrophobicContact CG1-CD1 3.56Å; V1719-I1726 VanDerWaalsContact CG1-CD1 3.44Å; V1719-I1726 HydrophobicContact CG1-CG1 4.15Å; V1719-I1726 HydrophobicContact CG2-CD1 4.05Å; V1719-I1738 HydrophobicContact CB-CD1 4.27Å; V1719-I1738 HydrophobicContact CB-CG1 4.25Å; V1719-I1738 HydrophobicContact CB-CG2 4.16Å; V1719-I1738 HydrophobicContact CG1-CD1 3.86Å; V1719-I1738 HydrophobicContact CG1-CG1 4.36Å; V1719-I1738 HydrophobicContact CG1-CG2 4.01Å; V1719-I1738 HydrophobicContact CG2-CD1 3.85Å; V1719-I1738 HydrophobicContact CG2-CG1 4.41Å; V1719-F1765 HydrophobicContact CG1-CZ 4.49Å; V1719-F1765 HydrophobicContact CG2-CE1 3.75Å; V1719-F1765 HydrophobicContact CG2-CZ 3.67Å; V1719-F1765 VanDerWaalsContact CG2-CZ 3.49Å |
| 1720 | T | 53.5 | Low | 52.4 | Low | 65.6 Ų | 65.6 | 64.6 Ų | 64.6 | 40% | 0.402 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -72.1 | -39.7 | 178.7 | -15.7 | 0 | 0 | 0 | 0 | 112.3 | C1716 T1717 A1718 Y1722 H1723 I1738 | C1716-T1720 WeakPolarHBondContact O-CB 3.28Å; C1716-T1720 WeakPolarHBondContact O-CG2 3.28Å; C1716-T1720 PolarHBondContact O-N 3.17Å; C1716-T1720 PolarHBondContact O-OG1 3.24Å; T1717-T1720 WeakPolarHBondContact CA-OG1 3.36Å; T1717-T1720 PolarHBondContact O-N 3.33Å; T1717-T1720 PolarHBondContact O-OG1 2.89Å; T1717-T1720 VanDerWaalsContact O-OG1 3.13Å; A1718-T1720 VanDerWaalsContact C-N 3.3Å; A1718-T1720 PolarHBondContact O-N 2.94Å; T1720-Y1722 VanDerWaalsContact C-N 3.33Å; T1720-Y1722 PolarHBondContact O-N 3.46Å; T1720-H1723 PolarHBondContact O-CE1 3.15Å; T1720-H1723 PolarHBondContact O-N 2.86Å; T1720-H1723 PolarHBondContact O-ND1 3.09Å; T1720-I1738 HydrophobicContact CG2-CG2 3.58Å |
| 1721 | K | 49.9 | Very low | 52.5 | Low | 111 Ų | 111 | 63.3 Ų | 63.3 | 48% | 0.483 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67 | -32.5 | 179.9 | -177.9 | -177.5 | 175.8 | -169.3 | 0 | 112.7 | E1691 T1717 A1718 | E1691-K1721 IonicContact OE1-NZ 2.82Å; E1691-K1721 PolarHBondContact OE1-NZ 2.92Å; E1691-K1721 IonicContact OE2-NZ 2.75Å; E1691-K1721 PolarHBondContact OE2-NZ 3.23Å; T1717-K1721 WeakPolarHBondContact O-CB 3.3Å; T1717-K1721 PolarHBondContact O-N 3.04Å; A1718-K1721 PolarHBondContact O-N 3.19Å |
| 1722 | Y | 43.3 | Very low | 52.8 | Low | 38.6 Ų | 38.6 | 65.4 Ų | 65.4 | 15% | 0.151 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 9.2 | -177.8 | -62.2 | -61.7 | 0 | 0 | 0 | 114.3 | V1687 I1688 E1691 A1718 T1720 L1724 L1784 H1787 R1810 I1812 | V1687-Y1722 WeakPolarHBondContact CG1-OH 3.42Å; I1688-Y1722 HydrophobicContact CB-CD2 4.49Å; I1688-Y1722 HydrophobicContact CB-CE2 4.44Å; I1688-Y1722 HydrophobicContact CD1-CD1 3.68Å; I1688-Y1722 HydrophobicContact CD1-CE1 4.21Å; I1688-Y1722 HydrophobicContact CD1-CG 3.87Å; I1688-Y1722 HydrophobicContact CG1-CD1 3.46Å; I1688-Y1722 VanDerWaalsContact CG1-CD1 3.43Å; I1688-Y1722 HydrophobicContact CG1-CD2 3.83Å; I1688-Y1722 HydrophobicContact CG1-CE1 3.58Å; I1688-Y1722 VanDerWaalsContact CG1-CE1 3.44Å; I1688-Y1722 HydrophobicContact CG1-CE2 3.95Å; I1688-Y1722 HydrophobicContact CG1-CG 3.57Å; I1688-Y1722 HydrophobicContact CG2-CD2 4.38Å; E1691-Y1722 WeakPolarHBondContact OE2-CE2 3.38Å; E1691-Y1722 VanDerWaalsContact OE2-CZ 3.29Å; E1691-Y1722 PolarHBondContact OE2-OH 3.23Å; A1718-Y1722 HydrophobicContact CB-CD2 4.42Å; A1718-Y1722 HydrophobicContact CB-CE2 4.47Å; A1718-Y1722 WeakPolarHBondContact O-CB 3.37Å; A1718-Y1722 VanDerWaalsContact O-CD2 3.25Å; A1718-Y1722 WeakPolarHBondContact O-CD2 3.32Å; A1718-Y1722 PolarHBondContact O-N 3.25Å; T1720-Y1722 VanDerWaalsContact C-N 3.33Å; T1720-Y1722 PolarHBondContact O-N 3.46Å; Y1722-L1724 PolarHBondContact O-N 2.88Å; Y1722-L1724 VanDerWaalsContact O-N 3.1Å; Y1722-L1784 HydrophobicContact CD1-CD1 3.86Å; Y1722-L1784 HydrophobicContact CD2-CD1 4.21Å; Y1722-L1784 HydrophobicContact CD2-CG 4.46Å; Y1722-L1784 HydrophobicContact CE1-CD1 4.48Å; Y1722-L1784 HydrophobicContact CG-CD1 3.72Å; Y1722-L1784 HydrophobicContact CG-CG 4.44Å; Y1722-H1787 HydrophobicContact CE2-CB 4.16Å; Y1722-H1787 AromaticContact CZ-CD2 3.98Å; Y1722-H1787 PolarHBondContact OH-CD2 3.34Å; Y1722-R1810 HydrophobicContact CD2-CG 4.35Å; Y1722-R1810 HydrophobicContact CE1-CB 4.31Å; Y1722-R1810 VanDerWaalsContact CE1-O 3.3Å; Y1722-R1810 WeakPolarHBondContact CE1-O 3.41Å; Y1722-R1810 HydrophobicContact CE2-CB 3.87Å; Y1722-R1810 HydrophobicContact CE2-CG 3.46Å; Y1722-R1810 VanDerWaalsContact CE2-CG 3.46Å; Y1722-R1810 WeakPolarHBondContact OH-CB 3.48Å; Y1722-I1812 HydrophobicContact CD1-CD1 4.09Å; Y1722-I1812 HydrophobicContact CD1-CG1 3.91Å; Y1722-I1812 HydrophobicContact CG-CG1 4.19Å |
| 1723 | H | 42.8 | Very low | 53.2 | Low | 156.4 Ų | 156.4 | 65.7 Ų | 65.7 | 72% | 0.724 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 36.3 | 176.4 | -61.6 | -41.4 | 0 | 0 | 0 | 114.3 | V1719 T1720 P1725 | V1719-H1723 WeakPolarHBondContact O-CA 3.36Å; V1719-H1723 PolarHBondContact O-N 3.05Å; V1719-H1723 VanDerWaalsContact O-N 3.15Å; T1720-H1723 PolarHBondContact O-CE1 3.15Å; T1720-H1723 PolarHBondContact O-N 2.86Å; T1720-H1723 PolarHBondContact O-ND1 3.09Å; H1723-P1725 WeakPolarHBondContact O-CD 3.43Å |
| 1724 | L | 46 | Very low | 53.4 | Low | 31.6 Ų | 31.6 | 63 Ų | 63 | 17% | 0.165 | 33% | 0.331 | C | S | . | . | trans | -59.7 | 126 | -178 | -76.2 | 167.9 | 0 | 0 | 0 | 110.4 | L1692 V1719 Y1722 I1726 F1765 L1769 M1815 | L1692-L1724 HydrophobicContact CD1-CD1 4.04Å; L1692-L1724 HydrophobicContact CD2-CD1 4.19Å; V1719-L1724 HydrophobicContact CB-CD1 4.4Å; V1719-L1724 HydrophobicContact CG1-CB 4.25Å; V1719-L1724 HydrophobicContact CG1-CD1 4.21Å; V1719-L1724 HydrophobicContact CG2-CB 4.35Å; V1719-L1724 HydrophobicContact CG2-CD1 4.19Å; V1719-L1724 PolarHBondContact O-N 3.15Å; V1719-L1724 VanDerWaalsContact O-N 3.11Å; Y1722-L1724 PolarHBondContact O-N 2.88Å; Y1722-L1724 VanDerWaalsContact O-N 3.1Å; L1724-I1726 HydrophobicContact CB-CD1 3.52Å; L1724-I1726 HydrophobicContact CB-CG1 4.1Å; L1724-I1726 HydrophobicContact CD1-CD1 4.45Å; L1724-I1726 PolarHBondContact O-N 3.06Å; L1724-F1765 HydrophobicContact CB-CZ 4.32Å; L1724-F1765 HydrophobicContact CD1-CZ 4.39Å; L1724-L1769 HydrophobicContact CD1-CD1 4.34Å; L1724-L1769 HydrophobicContact CD1-CD2 4.33Å; L1724-L1769 HydrophobicContact CD2-CD2 4.47Å; L1724-M1815 HydrophobicContact CD1-CE 3.44Å; L1724-M1815 VanDerWaalsContact CD1-CE 3.44Å; L1724-M1815 HydrophobicContact CD2-CB 4.5Å; L1724-M1815 HydrophobicContact CD2-CE 3.72Å; L1724-M1815 HydrophobicContact CG-CE 4.22Å | ||
| 1725 | P | 42 | Very low | 53.9 | Low | 107 Ų | 107 | 60 Ų | 60 | 70% | 0.695 | 32% | 0.316 | S | S | * | . | trans | -75.3 | 85.9 | -169.1 | 21.7 | -24.4 | 0 | 0 | 0 | 112.2 | H1723 L1727 | H1723-P1725 WeakPolarHBondContact O-CD 3.43Å; P1725-L1727 PolarHBondContact O-N 3.24Å | ||
| 1726 | I | 46 | Very low | 54.3 | Low | 51.4 Ų | 51.4 | 63.5 Ų | 63.5 | 26% | 0.264 | 34% | 0.335 | S | S | . | . | trans | -72.8 | 108.1 | 173.3 | -60.4 | 172.1 | 0 | 0 | 0 | 110.1 | V1719 L1724 P1728 Y1731 L1734 I1738 F1765 | V1719-I1726 HydrophobicContact CB-CD1 4.36Å; V1719-I1726 HydrophobicContact CG1-CD1 3.56Å; V1719-I1726 VanDerWaalsContact CG1-CD1 3.44Å; V1719-I1726 HydrophobicContact CG1-CG1 4.15Å; V1719-I1726 HydrophobicContact CG2-CD1 4.05Å; L1724-I1726 HydrophobicContact CB-CD1 3.52Å; L1724-I1726 HydrophobicContact CB-CG1 4.1Å; L1724-I1726 HydrophobicContact CD1-CD1 4.45Å; L1724-I1726 PolarHBondContact O-N 3.06Å; I1726-P1728 VanDerWaalsContact O-CD 3.26Å; I1726-P1728 WeakPolarHBondContact O-CD 3.32Å; I1726-P1728 WeakPolarHBondContact O-CG 3.26Å; I1726-P1728 VanDerWaalsContact O-N 3.15Å; I1726-Y1731 HydrophobicContact CG2-CD2 3.97Å; I1726-Y1731 HydrophobicContact CG2-CE2 3.88Å; I1726-Y1731 HydrophobicContact CG2-CG 4.33Å; I1726-L1734 HydrophobicContact CD1-CD2 3.8Å; I1726-L1734 HydrophobicContact CG2-CD2 4.42Å; I1726-I1738 HydrophobicContact CD1-CD1 3.43Å; I1726-I1738 VanDerWaalsContact CD1-CD1 3.43Å; I1726-I1738 HydrophobicContact CG1-CD1 4.42Å; I1726-F1765 HydrophobicContact CD1-CD2 4.13Å; I1726-F1765 HydrophobicContact CD1-CE1 4.26Å; I1726-F1765 HydrophobicContact CD1-CE2 3.61Å; I1726-F1765 HydrophobicContact CD1-CZ 3.7Å; I1726-F1765 VanDerWaalsContact CD1-CZ 3.44Å; I1726-F1765 HydrophobicContact CG1-CD2 4.2Å; I1726-F1765 HydrophobicContact CG1-CE2 3.62Å; I1726-F1765 HydrophobicContact CG1-CZ 3.99Å; I1726-F1765 HydrophobicContact CG2-CD2 4.19Å; I1726-F1765 HydrophobicContact CG2-CE2 4.18Å | ||
| 1727 | L | 46.3 | Very low | 54.6 | Low | 90 Ų | 90 | 63.4 Ų | 63.4 | 47% | 0.471 | 33% | 0.334 | S | S | . | . | trans | -66.4 | 113.1 | 168.2 | -80 | 153.1 | 0 | 0 | 0 | 109.5 | P1725 K1729 I1730 Y1731 L1734 I1738 | P1725-L1727 PolarHBondContact O-N 3.24Å; L1727-K1729 PolarHBondContact O-N 3.44Å; L1727-I1730 HydrophobicContact CB-CB 4.26Å; L1727-I1730 HydrophobicContact CB-CD1 3.98Å; L1727-I1730 HydrophobicContact CB-CG1 3.98Å; L1727-I1730 HydrophobicContact CD1-CD1 3.82Å; L1727-I1730 HydrophobicContact CD1-CG1 4.43Å; L1727-I1730 HydrophobicContact CG-CD1 4.47Å; L1727-I1730 PolarHBondContact O-N 3.2Å; L1727-I1730 VanDerWaalsContact O-N 3.1Å; L1727-Y1731 HydrophobicContact CD2-CD2 3.66Å; L1727-Y1731 HydrophobicContact CD2-CE2 4.44Å; L1727-Y1731 HydrophobicContact CD2-CG 4.32Å; L1727-Y1731 PolarHBondContact O-N 3.15Å; L1727-Y1731 VanDerWaalsContact O-N 3.1Å; L1727-L1734 HydrophobicContact CD1-CB 3.88Å; L1727-L1734 HydrophobicContact CD2-CD1 4.49Å; L1727-I1738 HydrophobicContact CD1-CD1 3.41Å; L1727-I1738 VanDerWaalsContact CD1-CD1 3.41Å | ||
| 1728 | P | 45.3 | Very low | 54.8 | Low | 74 Ų | 74 | 61.1 Ų | 61.1 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -6.8 | -175.3 | -23.7 | 35.9 | 0 | 0 | 0 | 113.9 | I1726 I1730 Y1731 P1732 S1735 | I1726-P1728 VanDerWaalsContact O-CD 3.26Å; I1726-P1728 WeakPolarHBondContact O-CD 3.32Å; I1726-P1728 WeakPolarHBondContact O-CG 3.26Å; I1726-P1728 VanDerWaalsContact O-N 3.15Å; P1728-I1730 HydrophobicContact CB-CB 4.01Å; P1728-I1730 HydrophobicContact CB-CD1 3.74Å; P1728-I1730 HydrophobicContact CB-CG1 3.71Å; P1728-I1730 HydrophobicContact CG-CD1 4.31Å; P1728-I1730 PolarHBondContact O-N 3.34Å; P1728-Y1731 PolarHBondContact O-N 2.89Å; P1728-P1732 WeakPolarHBondContact O-CA 3.3Å; P1728-S1735 WeakPolarHBondContact CB-OG 3.35Å; P1728-S1735 VanDerWaalsContact O-CB 3.24Å; P1728-S1735 WeakPolarHBondContact O-CB 3.47Å; P1728-S1735 PolarHBondContact O-OG 3.14Å |
| 1729 | K | 48.7 | Very low | 55.3 | Low | 198.2 Ų | 198.2 | 66 Ų | 66 | 86% | 0.862 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -17.6 | 173.9 | -67.7 | -179.1 | 178.9 | 175.7 | 0 | 113.4 | L1727 | L1727-K1729 PolarHBondContact O-N 3.44Š|
| 1730 | I | 51.3 | Low | 55.8 | Low | 96 Ų | 96 | 68.9 Ų | 68.9 | 49% | 0.492 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -38 | 179.4 | -55.8 | -179.4 | 0 | 0 | 0 | 110.2 | L1727 P1728 P1732 | L1727-I1730 HydrophobicContact CB-CB 4.26Å; L1727-I1730 HydrophobicContact CB-CD1 3.98Å; L1727-I1730 HydrophobicContact CB-CG1 3.98Å; L1727-I1730 HydrophobicContact CD1-CD1 3.82Å; L1727-I1730 HydrophobicContact CD1-CG1 4.43Å; L1727-I1730 HydrophobicContact CG-CD1 4.47Å; L1727-I1730 PolarHBondContact O-N 3.2Å; L1727-I1730 VanDerWaalsContact O-N 3.1Å; P1728-I1730 HydrophobicContact CB-CB 4.01Å; P1728-I1730 HydrophobicContact CB-CD1 3.74Å; P1728-I1730 HydrophobicContact CB-CG1 3.71Å; P1728-I1730 HydrophobicContact CG-CD1 4.31Å; P1728-I1730 PolarHBondContact O-N 3.34Å; I1730-P1732 VanDerWaalsContact O-CD 3.22Å; I1730-P1732 WeakPolarHBondContact O-CD 3.34Å |
| 1731 | Y | 61.9 | Low | 55.8 | Low | 33.8 Ų | 33.8 | 68.6 Ų | 68.6 | 13% | 0.133 | 36% | 0.358 | C | S | . | . | trans | -117.9 | 69.3 | -177.8 | -48.7 | -68.7 | 0 | 0 | 0 | 111.9 | I1726 L1727 P1728 L1734 S1735 E1761 Q1764 F1765 | I1726-Y1731 HydrophobicContact CG2-CD2 3.97Å; I1726-Y1731 HydrophobicContact CG2-CE2 3.88Å; I1726-Y1731 HydrophobicContact CG2-CG 4.33Å; L1727-Y1731 HydrophobicContact CD2-CD2 3.66Å; L1727-Y1731 HydrophobicContact CD2-CE2 4.44Å; L1727-Y1731 HydrophobicContact CD2-CG 4.32Å; L1727-Y1731 PolarHBondContact O-N 3.15Å; L1727-Y1731 VanDerWaalsContact O-N 3.1Å; P1728-Y1731 PolarHBondContact O-N 2.89Å; Y1731-L1734 HydrophobicContact CG-CD1 4.47Å; Y1731-L1734 PolarHBondContact O-N 2.78Å; Y1731-S1735 VanDerWaalsContact O-CB 3.28Å; Y1731-S1735 WeakPolarHBondContact O-CB 3.29Å; Y1731-S1735 PolarHBondContact O-N 3.07Å; Y1731-E1761 VanDerWaalsContact CA-OE2 3.24Å; Y1731-E1761 WeakPolarHBondContact CA-OE2 3.29Å; Y1731-E1761 WeakPolarHBondContact CB-OE2 3.13Å; Y1731-E1761 HydrophobicContact CD1-CB 4.09Å; Y1731-E1761 HydrophobicContact CD1-CG 4.19Å; Y1731-Q1764 HydrophobicContact CE1-CB 3.96Å; Y1731-F1765 HydrophobicContact CD1-CB 4.35Å; Y1731-F1765 HydrophobicContact CE1-CB 4.24Å; Y1731-F1765 HydrophobicContact CE2-CD2 4.2Å | ||
| 1732 | P | 66.5 | Low | 56.2 | Low | 63.6 Ų | 63.6 | 71.6 Ų | 71.6 | 41% | 0.413 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.9 | -34.2 | -174.7 | 26.7 | -35.2 | 0 | 0 | 0 | 114.5 | P1728 I1730 N1736 E1761 | P1728-P1732 WeakPolarHBondContact O-CA 3.3Å; I1730-P1732 VanDerWaalsContact O-CD 3.22Å; I1730-P1732 WeakPolarHBondContact O-CD 3.34Å; P1732-N1736 VanDerWaalsContact O-CB 3.32Å; P1732-N1736 WeakPolarHBondContact O-CB 3.41Å; P1732-N1736 VanDerWaalsContact O-CG 3.29Å; P1732-N1736 PolarHBondContact O-N 3.01Å; P1732-N1736 VanDerWaalsContact O-N 3.08Å; P1732-N1736 PolarHBondContact O-ND2 3.21Å; P1732-E1761 VanDerWaalsContact CD-OE1 3.24Å; P1732-E1761 WeakPolarHBondContact CD-OE1 3.33Å; P1732-E1761 WeakPolarHBondContact CG-OE1 3.38Å |
| 1733 | C | 68.7 | Low | 56.9 | Low | 9.6 Ų | 9.6 | 75 Ų | 75 | 7% | 0.065 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -70.7 | -44.3 | 176.2 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | S1735 N1736 I1737 Y1754 K1757 L1758 E1761 | C1733-S1735 VanDerWaalsContact C-N 3.34Å; C1733-S1735 PolarHBondContact O-N 3.09Å; C1733-N1736 WeakPolarHBondContact O-CB 3.42Å; C1733-N1736 PolarHBondContact O-N 3.01Å; C1733-N1736 VanDerWaalsContact O-N 3.16Å; C1733-I1737 WeakPolarHBondContact O-CG1 3.39Å; C1733-I1737 PolarHBondContact O-N 3.18Å; C1733-I1737 VanDerWaalsContact O-N 3.15Å; C1733-Y1754 WeakPolarHBondContact CA-OH 3.46Å; C1733-Y1754 HydrophobicContact CB-CE1 4.3Å; C1733-Y1754 HydrophobicContact CB-CE2 4.05Å; C1733-Y1754 PolarHBondContact O-OH 2.9Å; C1733-Y1754 VanDerWaalsContact O-OH 3.11Å; C1733-Y1754 WeakPolarHBondContact SG-CE2 3.44Å; C1733-K1757 VanDerWaalsContact SG-CB 3.54Å; C1733-L1758 HydrophobicContact CB-CB 4.22Å; C1733-L1758 HydrophobicContact CB-CD1 4.13Å; C1733-E1761 WeakPolarHBondContact CA-OE2 3.26Å; C1733-E1761 VanDerWaalsContact CB-OE1 3.29Å; C1733-E1761 WeakPolarHBondContact CB-OE1 3.45Å; C1733-E1761 WeakPolarHBondContact CB-OE2 3.26Å; C1733-E1761 VanDerWaalsContact N-CD 3.29Å; C1733-E1761 PolarHBondContact N-OE1 2.99Å; C1733-E1761 VanDerWaalsContact N-OE1 3.08Å; C1733-E1761 PolarHBondContact N-OE2 3.05Å; C1733-E1761 PolarHBondContact SG-OE1 3.08Å |
| 1734 | L | 66.6 | Low | 57.5 | Low | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 174.9 | -124.1 | 139 | 0 | 0 | 0 | 111.2 | L1715 I1726 L1727 Y1731 N1736 I1737 I1738 L1758 E1761 L1762 F1765 | L1715-L1734 HydrophobicContact CD2-CD2 4.11Å; I1726-L1734 HydrophobicContact CD1-CD2 3.8Å; I1726-L1734 HydrophobicContact CG2-CD2 4.42Å; L1727-L1734 HydrophobicContact CD1-CB 3.88Å; L1727-L1734 HydrophobicContact CD2-CD1 4.49Å; Y1731-L1734 HydrophobicContact CG-CD1 4.47Å; Y1731-L1734 PolarHBondContact O-N 2.78Å; L1734-N1736 VanDerWaalsContact C-N 3.32Å; L1734-N1736 PolarHBondContact O-N 3.15Å; L1734-I1737 WeakPolarHBondContact O-CB 3.39Å; L1734-I1737 PolarHBondContact O-N 3.06Å; L1734-I1737 VanDerWaalsContact O-N 3.1Å; L1734-I1738 HydrophobicContact CB-CD1 4.43Å; L1734-I1738 HydrophobicContact CD2-CD1 3.99Å; L1734-I1738 HydrophobicContact CD2-CG1 4.28Å; L1734-I1738 HydrophobicContact CG-CD1 4.26Å; L1734-I1738 WeakPolarHBondContact O-CB 3.35Å; L1734-I1738 WeakPolarHBondContact O-CD1 3.35Å; L1734-I1738 VanDerWaalsContact O-CG1 3.32Å; L1734-I1738 WeakPolarHBondContact O-CG1 3.27Å; L1734-I1738 PolarHBondContact O-N 2.99Å; L1734-L1758 HydrophobicContact CD1-CD1 3.99Å; L1734-L1758 HydrophobicContact CD2-CD1 3.93Å; L1734-L1758 HydrophobicContact CG-CD1 4.19Å; L1734-E1761 HydrophobicContact CD1-CB 4.22Å; L1734-E1761 HydrophobicContact CG-CB 4.15Å; L1734-E1761 PolarHBondContact N-OE2 3.11Å; L1734-L1762 HydrophobicContact CD1-CB 4.43Å; L1734-L1762 HydrophobicContact CD1-CD2 3.76Å; L1734-L1762 HydrophobicContact CD1-CG 3.97Å; L1734-L1762 HydrophobicContact CD2-CD2 4.02Å; L1734-L1762 HydrophobicContact CD2-CG 4.1Å; L1734-L1762 HydrophobicContact CG-CD2 4.07Å; L1734-L1762 HydrophobicContact CG-CG 4.37Å; L1734-F1765 HydrophobicContact CD1-CB 4Å; L1734-F1765 HydrophobicContact CD1-CD1 4.13Å; L1734-F1765 HydrophobicContact CD1-CG 4.09Å; L1734-F1765 HydrophobicContact CD2-CB 4.14Å; L1734-F1765 HydrophobicContact CD2-CD1 4.11Å; L1734-F1765 HydrophobicContact CD2-CD2 4.36Å; L1734-F1765 HydrophobicContact CD2-CE1 4.25Å; L1734-F1765 HydrophobicContact CD2-CG 4.09Å |
| 1735 | S | 67.8 | Low | 58 | Low | 18.8 Ų | 18.8 | 71.7 Ų | 71.7 | 13% | 0.131 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.3 | -39.2 | 176.7 | -175 | 0 | 0 | 0 | 0 | 112.4 | P1728 Y1731 C1733 I1737 I1738 N1739 | P1728-S1735 WeakPolarHBondContact CB-OG 3.35Å; P1728-S1735 VanDerWaalsContact O-CB 3.24Å; P1728-S1735 WeakPolarHBondContact O-CB 3.47Å; P1728-S1735 PolarHBondContact O-OG 3.14Å; Y1731-S1735 VanDerWaalsContact O-CB 3.28Å; Y1731-S1735 WeakPolarHBondContact O-CB 3.29Å; Y1731-S1735 PolarHBondContact O-N 3.07Å; C1733-S1735 VanDerWaalsContact C-N 3.34Å; C1733-S1735 PolarHBondContact O-N 3.09Å; S1735-I1737 VanDerWaalsContact C-N 3.29Å; S1735-I1737 PolarHBondContact O-N 2.96Å; S1735-I1738 PolarHBondContact O-N 3.07Å; S1735-N1739 VanDerWaalsContact O-CB 3.3Å; S1735-N1739 WeakPolarHBondContact O-CB 3.36Å; S1735-N1739 VanDerWaalsContact O-CG 3.29Å; S1735-N1739 PolarHBondContact O-N 3.18Å; S1735-N1739 PolarHBondContact O-ND2 3.21Å; S1735-N1739 VanDerWaalsContact O-ND2 3.12Å; S1735-N1739 PolarHBondContact OG-ND2 3.17Å; S1735-N1739 VanDerWaalsContact OG-ND2 3.11Å |
| 1736 | N | 68.8 | Low | 58.6 | Low | 83.6 Ų | 83.6 | 70.6 Ų | 70.6 | 45% | 0.447 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.5 | -34.1 | 176.5 | -97.2 | -39.3 | 0 | 0 | 0 | 112.9 | P1732 C1733 L1734 N1740 Y1754 | P1732-N1736 VanDerWaalsContact O-CB 3.32Å; P1732-N1736 WeakPolarHBondContact O-CB 3.41Å; P1732-N1736 VanDerWaalsContact O-CG 3.29Å; P1732-N1736 PolarHBondContact O-N 3.01Å; P1732-N1736 VanDerWaalsContact O-N 3.08Å; P1732-N1736 PolarHBondContact O-ND2 3.21Å; C1733-N1736 WeakPolarHBondContact O-CB 3.42Å; C1733-N1736 PolarHBondContact O-N 3.01Å; C1733-N1736 VanDerWaalsContact O-N 3.16Å; L1734-N1736 VanDerWaalsContact C-N 3.32Å; L1734-N1736 PolarHBondContact O-N 3.15Å; N1736-N1740 WeakPolarHBondContact O-CB 3.5Å; N1736-N1740 PolarHBondContact O-N 3.09Å; N1736-N1740 PolarHBondContact O-ND2 3.13Å; N1736-N1740 VanDerWaalsContact O-ND2 3.07Å; N1736-Y1754 WeakPolarHBondContact CB-OH 3.13Å |
| 1737 | I | 66.1 | Low | 59.1 | Low | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -74.3 | -47.2 | 177 | -68.2 | 175.8 | 0 | 0 | 0 | 110.9 | V1712 C1716 C1733 L1734 S1735 N1739 N1740 I1744 I1747 L1748 Y1754 L1758 | V1712-I1737 HydrophobicContact CG1-CD1 4.17Å; V1712-I1737 HydrophobicContact CG1-CG2 4.04Å; C1716-I1737 HydrophobicContact CB-CG2 4.39Å; C1716-I1737 VanDerWaalsContact SG-CG2 3.54Å; C1716-I1737 WeakPolarHBondContact SG-CG2 3.41Å; C1733-I1737 WeakPolarHBondContact O-CG1 3.39Å; C1733-I1737 PolarHBondContact O-N 3.18Å; C1733-I1737 VanDerWaalsContact O-N 3.15Å; L1734-I1737 WeakPolarHBondContact O-CB 3.39Å; L1734-I1737 PolarHBondContact O-N 3.06Å; L1734-I1737 VanDerWaalsContact O-N 3.1Å; S1735-I1737 VanDerWaalsContact C-N 3.29Å; S1735-I1737 PolarHBondContact O-N 2.96Å; I1737-N1739 VanDerWaalsContact C-N 3.29Å; I1737-N1739 PolarHBondContact O-N 3.21Å; I1737-N1740 CarbonylContact O-C 3.51Å; I1737-N1740 WeakPolarHBondContact O-CA 3.41Å; I1737-N1740 PolarHBondContact O-N 3.06Å; I1737-N1740 VanDerWaalsContact O-N 3.08Å; I1737-I1744 HydrophobicContact CG2-CD1 4.13Å; I1737-I1744 HydrophobicContact CG2-CG1 3.83Å; I1737-I1744 HydrophobicContact CG2-CG2 4.37Å; I1737-I1747 HydrophobicContact CD1-CG2 4.15Å; I1737-I1747 HydrophobicContact CG1-CD1 4.33Å; I1737-I1747 HydrophobicContact CG1-CG2 3.8Å; I1737-L1748 HydrophobicContact CD1-CD2 4.45Å; I1737-Y1754 HydrophobicContact CD1-CE1 4.36Å; I1737-Y1754 HydrophobicContact CG1-CE1 4.26Å; I1737-L1758 HydrophobicContact CD1-CD1 3.63Å; I1737-L1758 VanDerWaalsContact CD1-CD1 3.48Å; I1737-L1758 HydrophobicContact CD1-CD2 3.43Å; I1737-L1758 VanDerWaalsContact CD1-CD2 3.44Å; I1737-L1758 HydrophobicContact CD1-CG 4.18Å |
| 1738 | I | 62.1 | Low | 59.5 | Low | 30.6 Ų | 30.6 | 65.8 Ų | 65.8 | 16% | 0.157 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63 | -35.6 | -180 | -71.9 | 160.8 | 0 | 0 | 0 | 111.8 | C1716 V1719 T1720 I1726 L1727 L1734 S1735 N1740 P1741 | C1716-I1738 HydrophobicContact CB-CG1 4.14Å; C1716-I1738 VanDerWaalsContact SG-CG1 3.51Å; V1719-I1738 HydrophobicContact CB-CD1 4.27Å; V1719-I1738 HydrophobicContact CB-CG1 4.25Å; V1719-I1738 HydrophobicContact CB-CG2 4.16Å; V1719-I1738 HydrophobicContact CG1-CD1 3.86Å; V1719-I1738 HydrophobicContact CG1-CG1 4.36Å; V1719-I1738 HydrophobicContact CG1-CG2 4.01Å; V1719-I1738 HydrophobicContact CG2-CD1 3.85Å; V1719-I1738 HydrophobicContact CG2-CG1 4.41Å; T1720-I1738 HydrophobicContact CG2-CG2 3.58Å; I1726-I1738 HydrophobicContact CD1-CD1 3.43Å; I1726-I1738 VanDerWaalsContact CD1-CD1 3.43Å; I1726-I1738 HydrophobicContact CG1-CD1 4.42Å; L1727-I1738 HydrophobicContact CD1-CD1 3.41Å; L1727-I1738 VanDerWaalsContact CD1-CD1 3.41Å; L1734-I1738 HydrophobicContact CB-CD1 4.43Å; L1734-I1738 HydrophobicContact CD2-CD1 3.99Å; L1734-I1738 HydrophobicContact CD2-CG1 4.28Å; L1734-I1738 HydrophobicContact CG-CD1 4.26Å; L1734-I1738 WeakPolarHBondContact O-CB 3.35Å; L1734-I1738 WeakPolarHBondContact O-CD1 3.35Å; L1734-I1738 VanDerWaalsContact O-CG1 3.32Å; L1734-I1738 WeakPolarHBondContact O-CG1 3.27Å; L1734-I1738 PolarHBondContact O-N 2.99Å; S1735-I1738 PolarHBondContact O-N 3.07Å; I1738-N1740 VanDerWaalsContact C-N 3.28Å; I1738-N1740 PolarHBondContact O-N 3.02Å; I1738-P1741 WeakPolarHBondContact O-CD 3.32Å |
| 1739 | N | 64.1 | Low | 60.1 | Low | 112 Ų | 112 | 68.6 Ų | 68.6 | 60% | 0.599 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -10.5 | 174.4 | -71.1 | -52.6 | 0 | 0 | 0 | 113.7 | S1735 I1737 P1741 | S1735-N1739 VanDerWaalsContact O-CB 3.3Å; S1735-N1739 WeakPolarHBondContact O-CB 3.36Å; S1735-N1739 VanDerWaalsContact O-CG 3.29Å; S1735-N1739 PolarHBondContact O-N 3.18Å; S1735-N1739 PolarHBondContact O-ND2 3.21Å; S1735-N1739 VanDerWaalsContact O-ND2 3.12Å; S1735-N1739 PolarHBondContact OG-ND2 3.17Å; S1735-N1739 VanDerWaalsContact OG-ND2 3.11Å; I1737-N1739 VanDerWaalsContact C-N 3.29Å; I1737-N1739 PolarHBondContact O-N 3.21Å; N1739-P1741 VanDerWaalsContact C-CD 3.48Å |
| 1740 | N | 63.7 | Low | 60.7 | Low | 70.8 Ų | 70.8 | 61.3 Ų | 61.3 | 38% | 0.379 | 33% | 0.325 | S | S | . | . | trans | -137 | 57.8 | -179.4 | -65.4 | -82.1 | 0 | 0 | 0 | 112.5 | N1736 I1737 I1738 H1742 H1743 I1747 | N1736-N1740 WeakPolarHBondContact O-CB 3.5Å; N1736-N1740 PolarHBondContact O-N 3.09Å; N1736-N1740 PolarHBondContact O-ND2 3.13Å; N1736-N1740 VanDerWaalsContact O-ND2 3.07Å; I1737-N1740 CarbonylContact O-C 3.51Å; I1737-N1740 WeakPolarHBondContact O-CA 3.41Å; I1737-N1740 PolarHBondContact O-N 3.06Å; I1737-N1740 VanDerWaalsContact O-N 3.08Å; I1738-N1740 VanDerWaalsContact C-N 3.28Å; I1738-N1740 PolarHBondContact O-N 3.02Å; N1740-H1742 PolarHBondContact O-N 3.14Å; N1740-H1742 VanDerWaalsContact O-N 3.12Å; N1740-H1743 HydrophobicContact CB-CB 4.39Å; N1740-H1743 PolarHBondContact O-N 3.04Å; N1740-I1747 HydrophobicContact CB-CD1 4.17Å | ||
| 1741 | P | 54.8 | Low | 61.3 | Low | 58.2 Ų | 58.2 | 60.4 Ų | 60.4 | 38% | 0.378 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -63.4 | -23 | -171.8 | 26.5 | -34.9 | 0 | 0 | 0 | 113.4 | I1738 N1739 H1743 I1744 | I1738-P1741 WeakPolarHBondContact O-CD 3.32Å; N1739-P1741 VanDerWaalsContact C-CD 3.48Å; P1741-H1743 VanDerWaalsContact C-N 3.3Å; P1741-H1743 PolarHBondContact O-N 3.05Å; P1741-H1743 VanDerWaalsContact O-N 3.11Å; P1741-I1744 HydrophobicContact CB-CD1 4.47Å; P1741-I1744 VanDerWaalsContact O-CD1 3.31Å; P1741-I1744 WeakPolarHBondContact O-CD1 3.43Å; P1741-I1744 WeakPolarHBondContact O-CG1 3.26Å |
| 1742 | H | 57.5 | Low | 61.4 | Low | 175.2 Ų | 175.2 | 63.2 Ų | 63.2 | 81% | 0.811 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -80.1 | -2.1 | 175.7 | -57.6 | -45.6 | 0 | 0 | 0 | 114.3 | N1740 | N1740-H1742 PolarHBondContact O-N 3.14Å; N1740-H1742 VanDerWaalsContact O-N 3.12Å |
| 1743 | H | 57.4 | Low | 61.4 | Low | 108.2 Ų | 108.2 | 64.9 Ų | 64.9 | 50% | 0.501 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -123.1 | 18.6 | -178.1 | -66.9 | -34.6 | 0 | 0 | 0 | 113.9 | N1740 P1741 K1745 P1746 I1747 | N1740-H1743 HydrophobicContact CB-CB 4.39Å; N1740-H1743 PolarHBondContact O-N 3.04Å; P1741-H1743 VanDerWaalsContact C-N 3.3Å; P1741-H1743 PolarHBondContact O-N 3.05Å; P1741-H1743 VanDerWaalsContact O-N 3.11Å; H1743-K1745 VanDerWaalsContact C-N 3.31Å; H1743-K1745 PolarHBondContact O-N 3.15Å; H1743-P1746 HydrophobicContact CB-CG 4.22Å; H1743-P1746 VanDerWaalsContact O-CD 3.25Å; H1743-P1746 WeakPolarHBondContact O-CD 3.39Å; H1743-P1746 VanDerWaalsContact O-CG 3.26Å; H1743-P1746 WeakPolarHBondContact O-CG 3.39Å; H1743-I1747 HydrophobicContact CB-CD1 4.04Å; H1743-I1747 HydrophobicContact CB-CG1 4.42Å; H1743-I1747 WeakPolarHBondContact O-CB 3.29Å; H1743-I1747 WeakPolarHBondContact O-CD1 3.36Å; H1743-I1747 VanDerWaalsContact O-CG1 3.26Å; H1743-I1747 WeakPolarHBondContact O-CG1 3.37Å; H1743-I1747 PolarHBondContact O-N 2.97Å |
| 1744 | I | 56.6 | Low | 61.4 | Low | 5.2 Ų | 5.2 | 66.4 Ų | 66.4 | 3% | 0.027 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56.4 | -44.8 | -179.3 | -65 | 174.4 | 0 | 0 | 0 | 112.1 | T1709 V1712 E1713 C1716 I1737 P1741 I1747 L1748 | T1709-I1744 HydrophobicContact CG2-CG2 4.39Å; V1712-I1744 HydrophobicContact CB-CG2 4.3Å; V1712-I1744 HydrophobicContact CG1-CG2 4.22Å; E1713-I1744 HydrophobicContact CB-CD1 4.42Å; E1713-I1744 HydrophobicContact CG-CB 4.28Å; E1713-I1744 HydrophobicContact CG-CD1 3.7Å; E1713-I1744 VanDerWaalsContact CG-CD1 3.5Å; E1713-I1744 HydrophobicContact CG-CG1 4.5Å; E1713-I1744 HydrophobicContact CG-CG2 4.04Å; C1716-I1744 HydrophobicContact CB-CD1 4.03Å; I1737-I1744 HydrophobicContact CG2-CD1 4.13Å; I1737-I1744 HydrophobicContact CG2-CG1 3.83Å; I1737-I1744 HydrophobicContact CG2-CG2 4.37Å; P1741-I1744 HydrophobicContact CB-CD1 4.47Å; P1741-I1744 VanDerWaalsContact O-CD1 3.31Å; P1741-I1744 WeakPolarHBondContact O-CD1 3.43Å; P1741-I1744 WeakPolarHBondContact O-CG1 3.26Å; I1744-I1747 PolarHBondContact O-N 3Å; I1744-I1747 VanDerWaalsContact O-N 3.11Å; I1744-L1748 HydrophobicContact CG2-CD1 3.61Å; I1744-L1748 HydrophobicContact CG2-CG 4.16Å; I1744-L1748 WeakPolarHBondContact O-CB 3.37Å; I1744-L1748 WeakPolarHBondContact O-CG 3.29Å; I1744-L1748 PolarHBondContact O-N 3.06Å |
| 1745 | K | 56.1 | Low | 61.2 | Low | 115.2 Ų | 115.2 | 69.2 Ų | 69.2 | 50% | 0.501 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.7 | -48.4 | 179.2 | -79.1 | 174.3 | 175 | 110.6 | 0 | 114.3 | T1709 E1713 H1743 I1747 L1748 N1749 | T1709-K1745 HydrophobicContact CG2-CG 3.86Å; E1713-K1745 WeakPolarHBondContact OE1-CE 3.17Å; E1713-K1745 IonicContact OE1-NZ 3.3Å; E1713-K1745 PolarHBondContact OE1-NZ 3.07Å; E1713-K1745 IonicContact OE2-NZ 2.88Å; E1713-K1745 PolarHBondContact OE2-NZ 3.25Å; H1743-K1745 VanDerWaalsContact C-N 3.31Å; H1743-K1745 PolarHBondContact O-N 3.15Å; K1745-I1747 VanDerWaalsContact C-N 3.3Å; K1745-I1747 PolarHBondContact O-N 3.26Å; K1745-L1748 PolarHBondContact O-N 3.4Å; K1745-N1749 WeakPolarHBondContact O-CB 3.39Å; K1745-N1749 VanDerWaalsContact O-CG 3.26Å; K1745-N1749 PolarHBondContact O-N 3.03Å; K1745-N1749 VanDerWaalsContact O-N 3.12Å; K1745-N1749 PolarHBondContact O-ND2 3.16Å |
| 1746 | P | 55 | Low | 61 | Low | 83.4 Ų | 83.4 | 74.2 Ų | 74.2 | 54% | 0.542 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.3 | -37.5 | 170.2 | -8.5 | 7.5 | 0 | 0 | 0 | 114.2 | H1743 N1749 S1750 | H1743-P1746 HydrophobicContact CB-CG 4.22Å; H1743-P1746 VanDerWaalsContact O-CD 3.25Å; H1743-P1746 WeakPolarHBondContact O-CD 3.39Å; H1743-P1746 VanDerWaalsContact O-CG 3.26Å; H1743-P1746 WeakPolarHBondContact O-CG 3.39Å; P1746-N1749 CarbonylContact O-C 3.45Å; P1746-N1749 PolarHBondContact O-N 3.33Å; P1746-N1749 VanDerWaalsContact O-N 3.15Å; P1746-S1750 PolarHBondContact O-N 2.87Å |
| 1747 | I | 55.3 | Low | 61.1 | Low | 32.8 Ų | 32.8 | 75.6 Ų | 75.6 | 17% | 0.168 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.8 | -41.4 | 179.7 | -65.7 | 165.3 | 0 | 0 | 0 | 110.9 | I1737 N1740 H1743 I1744 K1745 N1749 S1750 Y1754 | I1737-I1747 HydrophobicContact CD1-CG2 4.15Å; I1737-I1747 HydrophobicContact CG1-CD1 4.33Å; I1737-I1747 HydrophobicContact CG1-CG2 3.8Å; N1740-I1747 HydrophobicContact CB-CD1 4.17Å; H1743-I1747 HydrophobicContact CB-CD1 4.04Å; H1743-I1747 HydrophobicContact CB-CG1 4.42Å; H1743-I1747 WeakPolarHBondContact O-CB 3.29Å; H1743-I1747 WeakPolarHBondContact O-CD1 3.36Å; H1743-I1747 VanDerWaalsContact O-CG1 3.26Å; H1743-I1747 WeakPolarHBondContact O-CG1 3.37Å; H1743-I1747 PolarHBondContact O-N 2.97Å; I1744-I1747 PolarHBondContact O-N 3Å; I1744-I1747 VanDerWaalsContact O-N 3.11Å; K1745-I1747 VanDerWaalsContact C-N 3.3Å; K1745-I1747 PolarHBondContact O-N 3.26Å; I1747-N1749 VanDerWaalsContact C-N 3.31Å; I1747-N1749 PolarHBondContact O-N 3.11Å; I1747-N1749 VanDerWaalsContact O-N 3.12Å; I1747-S1750 VanDerWaalsContact O-CB 3.24Å; I1747-S1750 WeakPolarHBondContact O-CB 3.32Å; I1747-S1750 PolarHBondContact O-N 3Å; I1747-S1750 VanDerWaalsContact O-N 3.07Å; I1747-S1750 PolarHBondContact O-OG 3.18Å; I1747-Y1754 HydrophobicContact CG2-CD1 4.37Å; I1747-Y1754 HydrophobicContact CG2-CE1 3.49Å; I1747-Y1754 VanDerWaalsContact CG2-CE1 3.47Å; I1747-Y1754 HydrophobicContact CG2-CE2 4.4Å; I1747-Y1754 WeakPolarHBondContact CG2-OH 3.25Å |
| 1748 | L | 55.5 | Low | 61.2 | Low | 8.2 Ų | 8.2 | 75.6 Ų | 75.6 | 4% | 0.043 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -8.6 | 173.2 | -69.1 | 174.4 | 0 | 0 | 0 | 113.5 | V1706 T1709 V1712 I1737 I1744 K1745 S1750 K1755 L1758 | V1706-L1748 HydrophobicContact CG1-CD2 4.01Å; V1706-L1748 WeakPolarHBondContact O-CD2 3.32Å; T1709-L1748 HydrophobicContact CG2-CD1 3.78Å; V1712-L1748 HydrophobicContact CB-CD1 4.27Å; V1712-L1748 HydrophobicContact CG1-CD1 4.32Å; V1712-L1748 HydrophobicContact CG2-CD1 4.31Å; V1712-L1748 HydrophobicContact CG2-CD2 4.38Å; I1737-L1748 HydrophobicContact CD1-CD2 4.45Å; I1744-L1748 HydrophobicContact CG2-CD1 3.61Å; I1744-L1748 HydrophobicContact CG2-CG 4.16Å; I1744-L1748 WeakPolarHBondContact O-CB 3.37Å; I1744-L1748 WeakPolarHBondContact O-CG 3.29Å; I1744-L1748 PolarHBondContact O-N 3.06Å; K1745-L1748 PolarHBondContact O-N 3.4Å; L1748-S1750 VanDerWaalsContact C-N 3.26Å; L1748-S1750 PolarHBondContact O-N 3.06Å; L1748-K1755 WeakPolarHBondContact O-CE 3.32Å; L1748-K1755 PolarHBondContact O-NZ 3.39Å; L1748-L1758 HydrophobicContact CD2-CD2 3.58Å; L1748-L1758 VanDerWaalsContact CD2-CD2 3.46Å |
| 1749 | N | 58.5 | Low | 61.3 | Low | 133.2 Ų | 133.2 | 74.8 Ų | 74.8 | 71% | 0.712 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 11.8 | 168.8 | -77.1 | -29.4 | 0 | 0 | 0 | 113.4 | K1745 P1746 I1747 | K1745-N1749 WeakPolarHBondContact O-CB 3.39Å; K1745-N1749 VanDerWaalsContact O-CG 3.26Å; K1745-N1749 PolarHBondContact O-N 3.03Å; K1745-N1749 VanDerWaalsContact O-N 3.12Å; K1745-N1749 PolarHBondContact O-ND2 3.16Å; P1746-N1749 CarbonylContact O-C 3.45Å; P1746-N1749 PolarHBondContact O-N 3.33Å; P1746-N1749 VanDerWaalsContact O-N 3.15Å; I1747-N1749 VanDerWaalsContact C-N 3.31Å; I1747-N1749 PolarHBondContact O-N 3.11Å; I1747-N1749 VanDerWaalsContact O-N 3.12Å |
| 1750 | S | 59.8 | Low | 61.5 | Low | 44.4 Ų | 44.4 | 73.2 Ų | 73.2 | 31% | 0.31 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -73 | -176 | 171.4 | 69.4 | 0 | 0 | 0 | 0 | 112.6 | P1746 I1747 L1748 Y1754 | P1746-S1750 PolarHBondContact O-N 2.87Å; I1747-S1750 VanDerWaalsContact O-CB 3.24Å; I1747-S1750 WeakPolarHBondContact O-CB 3.32Å; I1747-S1750 PolarHBondContact O-N 3Å; I1747-S1750 VanDerWaalsContact O-N 3.07Å; I1747-S1750 PolarHBondContact O-OG 3.18Å; L1748-S1750 VanDerWaalsContact C-N 3.26Å; L1748-S1750 PolarHBondContact O-N 3.06Å; S1750-Y1754 VanDerWaalsContact OG-CB 3.23Å; S1750-Y1754 WeakPolarHBondContact OG-CB 3.43Å; S1750-Y1754 VanDerWaalsContact OG-CD1 3.26Å; S1750-Y1754 WeakPolarHBondContact OG-CD1 3.31Å; S1750-Y1754 VanDerWaalsContact OG-CG 3.26Å |
| 1751 | S | 64.6 | Low | 61.7 | Low | 76.2 Ų | 76.2 | 70.6 Ų | 70.6 | 53% | 0.533 | 37% | 0.373 | S | S | . | . | trans | -56.8 | 150.8 | -178.1 | 55.4 | 0 | 0 | 0 | 0 | 113.1 | L1753 Y1754 K1755 | S1751-L1753 PolarHBondContact O-N 2.94Å; S1751-L1753 VanDerWaalsContact O-N 3.12Å; S1751-Y1754 WeakPolarHBondContact O-CA 3.41Å; S1751-Y1754 VanDerWaalsContact O-CB 3.27Å; S1751-Y1754 WeakPolarHBondContact O-CB 3.34Å; S1751-Y1754 PolarHBondContact O-N 3.31Å; S1751-K1755 PolarHBondContact O-N 3.18Å | ||
| 1752 | S | 64.2 | Low | 62 | Low | 92 Ų | 92 | 67.9 Ų | 67.9 | 64% | 0.643 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -50.5 | -41.4 | 174.7 | 49.1 | 0 | 0 | 0 | 0 | 112.6 | Y1754 K1755 E1756 | S1752-Y1754 PolarHBondContact O-N 3.07Å; S1752-Y1754 VanDerWaalsContact O-N 3.13Å; S1752-K1755 WeakPolarHBondContact O-CA 3.33Å; S1752-K1755 WeakPolarHBondContact O-CB 3.21Å; S1752-K1755 PolarHBondContact O-N 3.11Å; S1752-K1755 VanDerWaalsContact O-N 3.09Å; S1752-E1756 WeakPolarHBondContact O-CB 3.39Å; S1752-E1756 PolarHBondContact O-N 3.14Å |
| 1753 | L | 66.3 | Low | 62.3 | Low | 100 Ų | 100 | 63.2 Ų | 63.2 | 52% | 0.524 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.4 | -23.5 | 177.5 | -163.9 | 103.5 | 0 | 0 | 0 | 114 | S1751 K1757 | S1751-L1753 PolarHBondContact O-N 2.94Å; S1751-L1753 VanDerWaalsContact O-N 3.12Å; L1753-K1757 HydrophobicContact CD2-CD 4.4Å; L1753-K1757 VanDerWaalsContact O-CG 3.28Å; L1753-K1757 WeakPolarHBondContact O-CG 3.32Å; L1753-K1757 PolarHBondContact O-N 3.15Å |
| 1754 | Y | 68.3 | Low | 62.5 | Low | 42.4 Ų | 42.4 | 62.6 Ų | 62.6 | 17% | 0.166 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -81.5 | -38.4 | 172.2 | -173.5 | -83.5 | 0 | 0 | 0 | 111.2 | C1733 N1736 I1737 I1747 S1750 S1751 S1752 K1757 L1758 | C1733-Y1754 WeakPolarHBondContact CA-OH 3.46Å; C1733-Y1754 HydrophobicContact CB-CE1 4.3Å; C1733-Y1754 HydrophobicContact CB-CE2 4.05Å; C1733-Y1754 PolarHBondContact O-OH 2.9Å; C1733-Y1754 VanDerWaalsContact O-OH 3.11Å; C1733-Y1754 WeakPolarHBondContact SG-CE2 3.44Å; N1736-Y1754 WeakPolarHBondContact CB-OH 3.13Å; I1737-Y1754 HydrophobicContact CD1-CE1 4.36Å; I1737-Y1754 HydrophobicContact CG1-CE1 4.26Å; I1747-Y1754 HydrophobicContact CG2-CD1 4.37Å; I1747-Y1754 HydrophobicContact CG2-CE1 3.49Å; I1747-Y1754 VanDerWaalsContact CG2-CE1 3.47Å; I1747-Y1754 HydrophobicContact CG2-CE2 4.4Å; I1747-Y1754 WeakPolarHBondContact CG2-OH 3.25Å; S1750-Y1754 VanDerWaalsContact OG-CB 3.23Å; S1750-Y1754 WeakPolarHBondContact OG-CB 3.43Å; S1750-Y1754 VanDerWaalsContact OG-CD1 3.26Å; S1750-Y1754 WeakPolarHBondContact OG-CD1 3.31Å; S1750-Y1754 VanDerWaalsContact OG-CG 3.26Å; S1751-Y1754 WeakPolarHBondContact O-CA 3.41Å; S1751-Y1754 VanDerWaalsContact O-CB 3.27Å; S1751-Y1754 WeakPolarHBondContact O-CB 3.34Å; S1751-Y1754 PolarHBondContact O-N 3.31Å; S1752-Y1754 PolarHBondContact O-N 3.07Å; S1752-Y1754 VanDerWaalsContact O-N 3.13Å; Y1754-K1757 PolarHBondContact O-N 2.95Å; Y1754-L1758 HydrophobicContact CE1-CD2 4.31Å; Y1754-L1758 VanDerWaalsContact O-CB 3.27Å; Y1754-L1758 WeakPolarHBondContact O-CB 3.3Å; Y1754-L1758 PolarHBondContact O-N 3.24Å |
| 1755 | K | 63.1 | Low | 62.7 | Low | 61.4 Ų | 61.4 | 63.1 Ų | 63.1 | 27% | 0.267 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 174.1 | -59.7 | -169.3 | -177.2 | -162.2 | 0 | 111.6 | E1703 V1706 T1707 L1748 S1751 S1752 L1758 G1759 | E1703-K1755 IonicContact OE2-NZ 2.68Å; E1703-K1755 PolarHBondContact OE2-NZ 3Å; V1706-K1755 HydrophobicContact CG1-CB 4.03Å; V1706-K1755 HydrophobicContact CG1-CG 4.23Å; V1706-K1755 WeakPolarHBondContact CG1-O 3.46Å; V1706-K1755 WeakPolarHBondContact CG2-O 3.46Å; T1707-K1755 HydrophobicContact CG2-CD 3.88Å; T1707-K1755 VanDerWaalsContact CG2-CE 3.5Å; T1707-K1755 VanDerWaalsContact CG2-NZ 3.31Å; L1748-K1755 WeakPolarHBondContact O-CE 3.32Å; L1748-K1755 PolarHBondContact O-NZ 3.39Å; S1751-K1755 PolarHBondContact O-N 3.18Å; S1752-K1755 WeakPolarHBondContact O-CA 3.33Å; S1752-K1755 WeakPolarHBondContact O-CB 3.21Å; S1752-K1755 PolarHBondContact O-N 3.11Å; S1752-K1755 VanDerWaalsContact O-N 3.09Å; K1755-L1758 CarbonylContact O-C 3.51Å; K1755-L1758 WeakPolarHBondContact O-CB 3.4Å; K1755-L1758 PolarHBondContact O-N 3.16Å; K1755-G1759 PolarHBondContact O-N 3.21Å |
| 1756 | E | 63.4 | Low | 62.8 | Low | 125.2 Ų | 125.2 | 58.4 Ų | 58.4 | 59% | 0.585 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -57.4 | -52.4 | 177.1 | -171.3 | 174.8 | -158.5 | 0 | 0 | 110.9 | S1752 L1758 G1759 D1760 | S1752-E1756 WeakPolarHBondContact O-CB 3.39Å; S1752-E1756 PolarHBondContact O-N 3.14Å; E1756-L1758 VanDerWaalsContact C-N 3.34Å; E1756-L1758 PolarHBondContact O-N 3.08Å; E1756-G1759 WeakPolarHBondContact O-CA 3.27Å; E1756-G1759 PolarHBondContact O-N 2.92Å; E1756-G1759 VanDerWaalsContact O-N 3.17Å; E1756-D1760 PolarHBondContact O-N 3.16Å |
| 1757 | K | 70.3 | Confident | 62.9 | Low | 111 Ų | 111 | 58.6 Ų | 58.6 | 48% | 0.483 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 174.9 | -74 | -178.3 | 176.9 | -169.3 | 0 | 113.7 | C1733 L1753 Y1754 G1759 D1760 E1761 | C1733-K1757 VanDerWaalsContact SG-CB 3.54Å; L1753-K1757 HydrophobicContact CD2-CD 4.4Å; L1753-K1757 VanDerWaalsContact O-CG 3.28Å; L1753-K1757 WeakPolarHBondContact O-CG 3.32Å; L1753-K1757 PolarHBondContact O-N 3.15Å; Y1754-K1757 PolarHBondContact O-N 2.95Å; K1757-G1759 VanDerWaalsContact C-N 3.28Å; K1757-G1759 PolarHBondContact O-N 3.29Å; K1757-D1760 PolarHBondContact O-N 2.94Å; K1757-E1761 WeakPolarHBondContact O-CB 3.42Å; K1757-E1761 VanDerWaalsContact O-CG 3.3Å; K1757-E1761 WeakPolarHBondContact O-CG 3.29Å; K1757-E1761 PolarHBondContact O-N 2.97Å |
| 1758 | L | 68.6 | Low | 62.8 | Low | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.5 | -37.2 | 175.6 | 179.5 | 63.8 | 0 | 0 | 0 | 111.4 | V1706 C1733 L1734 I1737 L1748 Y1754 K1755 E1756 E1761 L1762 | V1706-L1758 HydrophobicContact CG1-CB 4.24Å; V1706-L1758 HydrophobicContact CG1-CD2 4.08Å; V1706-L1758 HydrophobicContact CG1-CG 4.05Å; C1733-L1758 HydrophobicContact CB-CB 4.22Å; C1733-L1758 HydrophobicContact CB-CD1 4.13Å; L1734-L1758 HydrophobicContact CD1-CD1 3.99Å; L1734-L1758 HydrophobicContact CD2-CD1 3.93Å; L1734-L1758 HydrophobicContact CG-CD1 4.19Å; I1737-L1758 HydrophobicContact CD1-CD1 3.63Å; I1737-L1758 VanDerWaalsContact CD1-CD1 3.48Å; I1737-L1758 HydrophobicContact CD1-CD2 3.43Å; I1737-L1758 VanDerWaalsContact CD1-CD2 3.44Å; I1737-L1758 HydrophobicContact CD1-CG 4.18Å; L1748-L1758 HydrophobicContact CD2-CD2 3.58Å; L1748-L1758 VanDerWaalsContact CD2-CD2 3.46Å; Y1754-L1758 HydrophobicContact CE1-CD2 4.31Å; Y1754-L1758 VanDerWaalsContact O-CB 3.27Å; Y1754-L1758 WeakPolarHBondContact O-CB 3.3Å; Y1754-L1758 PolarHBondContact O-N 3.24Å; K1755-L1758 CarbonylContact O-C 3.51Å; K1755-L1758 WeakPolarHBondContact O-CB 3.4Å; K1755-L1758 PolarHBondContact O-N 3.16Å; E1756-L1758 VanDerWaalsContact C-N 3.34Å; E1756-L1758 PolarHBondContact O-N 3.08Å; L1758-E1761 PolarHBondContact O-N 3.4Å; L1758-L1762 HydrophobicContact CD1-CD1 4.23Å; L1758-L1762 HydrophobicContact CD1-CG 4.26Å; L1758-L1762 HydrophobicContact CD2-CD1 4.46Å; L1758-L1762 HydrophobicContact CG-CD1 3.91Å; L1758-L1762 HydrophobicContact CG-CG 4.4Å; L1758-L1762 VanDerWaalsContact O-CB 3.28Å; L1758-L1762 WeakPolarHBondContact O-CB 3.32Å; L1758-L1762 WeakPolarHBondContact O-CD1 3.37Å; L1758-L1762 VanDerWaalsContact O-CG 3.23Å; L1758-L1762 WeakPolarHBondContact O-CG 3.31Å; L1758-L1762 PolarHBondContact O-N 3.16Å |
| 1759 | G | 64.7 | Low | 62.5 | Low | 13.8 Ų | 13.8 | 59.6 Ų | 59.6 | 14% | 0.142 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1755 E1756 K1757 L1762 K1763 | K1755-G1759 PolarHBondContact O-N 3.21Å; E1756-G1759 WeakPolarHBondContact O-CA 3.27Å; E1756-G1759 PolarHBondContact O-N 2.92Å; E1756-G1759 VanDerWaalsContact O-N 3.17Å; K1757-G1759 VanDerWaalsContact C-N 3.28Å; K1757-G1759 PolarHBondContact O-N 3.29Å; G1759-L1762 PolarHBondContact O-N 3.16Å; G1759-K1763 VanDerWaalsContact O-CB 3.24Å; G1759-K1763 WeakPolarHBondContact O-CB 3.36Å; G1759-K1763 PolarHBondContact O-N 3.05Å |
| 1760 | D | 67.1 | Low | 62.1 | Low | 78.6 Ų | 78.6 | 56.9 Ų | 56.9 | 42% | 0.42 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 174.7 | -78.6 | -29.2 | 0 | 0 | 0 | 112.2 | R1700 E1756 K1757 K1763 Q1764 | R1700-D1760 IonicContact CZ-OD1 3.99Å; R1700-D1760 IonicContact NE-OD1 3.3Å; R1700-D1760 PolarHBondContact NE-OD1 3.08Å; R1700-D1760 VanDerWaalsContact NE-OD1 3.1Å; R1700-D1760 IonicContact NH2-OD1 2.71Å; R1700-D1760 PolarHBondContact NH2-OD1 2.61Å; E1756-D1760 PolarHBondContact O-N 3.16Å; K1757-D1760 PolarHBondContact O-N 2.94Å; D1760-K1763 PolarHBondContact O-N 2.87Å; D1760-Q1764 WeakPolarHBondContact O-CB 3.24Å; D1760-Q1764 VanDerWaalsContact O-CG 3.29Å; D1760-Q1764 WeakPolarHBondContact O-CG 3.24Å; D1760-Q1764 PolarHBondContact O-N 2.99Å; D1760-Q1764 PolarHBondContact O-NE2 3.04Å |
| 1761 | E | 67.6 | Low | 61.3 | Low | 16.4 Ų | 16.4 | 59.6 Ų | 59.6 | 8% | 0.077 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 176.7 | -73.7 | 179.1 | -150.2 | 0 | 0 | 112.1 | Y1731 P1732 C1733 L1734 K1757 L1758 K1763 Q1764 F1765 | Y1731-E1761 VanDerWaalsContact CA-OE2 3.24Å; Y1731-E1761 WeakPolarHBondContact CA-OE2 3.29Å; Y1731-E1761 WeakPolarHBondContact CB-OE2 3.13Å; Y1731-E1761 HydrophobicContact CD1-CB 4.09Å; Y1731-E1761 HydrophobicContact CD1-CG 4.19Å; P1732-E1761 VanDerWaalsContact CD-OE1 3.24Å; P1732-E1761 WeakPolarHBondContact CD-OE1 3.33Å; P1732-E1761 WeakPolarHBondContact CG-OE1 3.38Å; C1733-E1761 WeakPolarHBondContact CA-OE2 3.26Å; C1733-E1761 VanDerWaalsContact CB-OE1 3.29Å; C1733-E1761 WeakPolarHBondContact CB-OE1 3.45Å; C1733-E1761 WeakPolarHBondContact CB-OE2 3.26Å; C1733-E1761 VanDerWaalsContact N-CD 3.29Å; C1733-E1761 PolarHBondContact N-OE1 2.99Å; C1733-E1761 VanDerWaalsContact N-OE1 3.08Å; C1733-E1761 PolarHBondContact N-OE2 3.05Å; C1733-E1761 PolarHBondContact SG-OE1 3.08Å; L1734-E1761 HydrophobicContact CD1-CB 4.22Å; L1734-E1761 HydrophobicContact CG-CB 4.15Å; L1734-E1761 PolarHBondContact N-OE2 3.11Å; K1757-E1761 WeakPolarHBondContact O-CB 3.42Å; K1757-E1761 VanDerWaalsContact O-CG 3.3Å; K1757-E1761 WeakPolarHBondContact O-CG 3.29Å; K1757-E1761 PolarHBondContact O-N 2.97Å; L1758-E1761 PolarHBondContact O-N 3.4Å; E1761-K1763 VanDerWaalsContact C-N 3.32Å; E1761-K1763 PolarHBondContact O-N 3.16Å; E1761-Q1764 PolarHBondContact O-N 3.1Å; E1761-F1765 VanDerWaalsContact O-CB 3.28Å; E1761-F1765 WeakPolarHBondContact O-CB 3.3Å; E1761-F1765 PolarHBondContact O-N 3.04Å |
| 1762 | L | 62.4 | Low | 59.9 | Low | 1.4 Ų | 1.4 | 60.5 Ų | 60.5 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.7 | -43 | 174.5 | -81.8 | 166.5 | 0 | 0 | 0 | 111.4 | L1699 I1705 V1706 F1711 V1712 L1715 L1734 L1758 G1759 F1765 L1766 | L1699-L1762 HydrophobicContact CD2-CB 4.36Å; L1699-L1762 HydrophobicContact CD2-CD1 4.36Å; I1705-L1762 HydrophobicContact CG2-CD1 4.25Å; V1706-L1762 HydrophobicContact CG1-CD1 4.31Å; V1706-L1762 HydrophobicContact CG2-CD1 4.38Å; F1711-L1762 HydrophobicContact CE1-CD1 4.35Å; F1711-L1762 HydrophobicContact CE1-CD2 4.16Å; V1712-L1762 HydrophobicContact CG2-CD1 4.21Å; L1715-L1762 HydrophobicContact CD2-CD2 3.49Å; L1715-L1762 VanDerWaalsContact CD2-CD2 3.45Å; L1734-L1762 HydrophobicContact CD1-CB 4.43Å; L1734-L1762 HydrophobicContact CD1-CD2 3.76Å; L1734-L1762 HydrophobicContact CD1-CG 3.97Å; L1734-L1762 HydrophobicContact CD2-CD2 4.02Å; L1734-L1762 HydrophobicContact CD2-CG 4.1Å; L1734-L1762 HydrophobicContact CG-CD2 4.07Å; L1734-L1762 HydrophobicContact CG-CG 4.37Å; L1758-L1762 HydrophobicContact CD1-CD1 4.23Å; L1758-L1762 HydrophobicContact CD1-CG 4.26Å; L1758-L1762 HydrophobicContact CD2-CD1 4.46Å; L1758-L1762 HydrophobicContact CG-CD1 3.91Å; L1758-L1762 HydrophobicContact CG-CG 4.4Å; L1758-L1762 VanDerWaalsContact O-CB 3.28Å; L1758-L1762 WeakPolarHBondContact O-CB 3.32Å; L1758-L1762 WeakPolarHBondContact O-CD1 3.37Å; L1758-L1762 VanDerWaalsContact O-CG 3.23Å; L1758-L1762 WeakPolarHBondContact O-CG 3.31Å; L1758-L1762 PolarHBondContact O-N 3.16Å; G1759-L1762 PolarHBondContact O-N 3.16Å; L1762-F1765 PolarHBondContact O-N 3.06Å; L1762-L1766 VanDerWaalsContact O-CB 3.3Å; L1762-L1766 WeakPolarHBondContact O-CB 3.34Å; L1762-L1766 WeakPolarHBondContact O-CD1 3.31Å; L1762-L1766 WeakPolarHBondContact O-CG 3.31Å; L1762-L1766 PolarHBondContact O-N 3.23Å |
| 1763 | K | 64 | Low | 58.7 | Low | 77.6 Ų | 77.6 | 57.6 Ų | 57.6 | 34% | 0.337 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.4 | -47.9 | 178.7 | -179.2 | 172.8 | 175.3 | 178.1 | 0 | 111.4 | I1696 R1700 G1759 D1760 E1761 F1765 L1766 E1767 H1790 | I1696-K1763 HydrophobicContact CG2-CG 4.39Å; I1696-K1763 WeakPolarHBondContact O-CE 3.41Å; I1696-K1763 PolarHBondContact O-NZ 3.23Å; R1700-K1763 HydrophobicContact CG-CD 3.94Å; G1759-K1763 VanDerWaalsContact O-CB 3.24Å; G1759-K1763 WeakPolarHBondContact O-CB 3.36Å; G1759-K1763 PolarHBondContact O-N 3.05Å; D1760-K1763 PolarHBondContact O-N 2.87Å; E1761-K1763 VanDerWaalsContact C-N 3.32Å; E1761-K1763 PolarHBondContact O-N 3.16Å; K1763-F1765 VanDerWaalsContact C-N 3.29Å; K1763-F1765 PolarHBondContact O-N 3.19Å; K1763-L1766 PolarHBondContact O-N 3.14Å; K1763-L1766 VanDerWaalsContact O-N 3.1Å; K1763-E1767 WeakPolarHBondContact CE-OE1 3.33Å; K1763-E1767 HydrophobicContact CG-CG 4.3Å; K1763-E1767 IonicContact NZ-OE1 3.02Å; K1763-E1767 PolarHBondContact NZ-OE1 3.04Å; K1763-E1767 IonicContact NZ-OE2 2.62Å; K1763-E1767 PolarHBondContact NZ-OE2 3.21Å; K1763-E1767 WeakPolarHBondContact O-CB 3.26Å; K1763-E1767 VanDerWaalsContact O-CG 3.26Å; K1763-E1767 WeakPolarHBondContact O-CG 3.39Å; K1763-E1767 PolarHBondContact O-N 3.07Å; K1763-H1790 PolarHBondContact NZ-NE2 2.94Å |
| 1764 | Q | 61.6 | Low | 57.4 | Low | 95.4 Ų | 95.4 | 58.7 Ų | 58.7 | 45% | 0.446 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.7 | -37.9 | 175.8 | -72.7 | 173.3 | 28.4 | 0 | 0 | 112.1 | Y1731 D1760 E1761 E1767 A1768 | Y1731-Q1764 HydrophobicContact CE1-CB 3.96Å; D1760-Q1764 WeakPolarHBondContact O-CB 3.24Å; D1760-Q1764 VanDerWaalsContact O-CG 3.29Å; D1760-Q1764 WeakPolarHBondContact O-CG 3.24Å; D1760-Q1764 PolarHBondContact O-N 2.99Å; D1760-Q1764 PolarHBondContact O-NE2 3.04Å; E1761-Q1764 PolarHBondContact O-N 3.1Å; Q1764-E1767 PolarHBondContact O-N 2.59Å; Q1764-A1768 VanDerWaalsContact O-CB 3.3Å; Q1764-A1768 WeakPolarHBondContact O-CB 3.31Å; Q1764-A1768 PolarHBondContact O-N 3.01Å; Q1764-A1768 VanDerWaalsContact O-N 3.07Å |
| 1765 | F | 60.9 | Low | 55.7 | Low | 15.8 Ų | 15.8 | 59.6 Ų | 59.6 | 7% | 0.069 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.1 | -40.1 | 176.2 | -179.3 | -114 | 0 | 0 | 0 | 112.4 | L1715 V1719 L1724 I1726 Y1731 L1734 E1761 L1762 K1763 A1768 L1769 M1815 | L1715-F1765 HydrophobicContact CD1-CE1 4.25Å; L1715-F1765 HydrophobicContact CD2-CD1 4.3Å; L1715-F1765 HydrophobicContact CD2-CE1 4.2Å; L1715-F1765 HydrophobicContact CG-CE1 4.23Å; V1719-F1765 HydrophobicContact CG1-CZ 4.49Å; V1719-F1765 HydrophobicContact CG2-CE1 3.75Å; V1719-F1765 HydrophobicContact CG2-CZ 3.67Å; V1719-F1765 VanDerWaalsContact CG2-CZ 3.49Å; L1724-F1765 HydrophobicContact CB-CZ 4.32Å; L1724-F1765 HydrophobicContact CD1-CZ 4.39Å; I1726-F1765 HydrophobicContact CD1-CD2 4.13Å; I1726-F1765 HydrophobicContact CD1-CE1 4.26Å; I1726-F1765 HydrophobicContact CD1-CE2 3.61Å; I1726-F1765 HydrophobicContact CD1-CZ 3.7Å; I1726-F1765 VanDerWaalsContact CD1-CZ 3.44Å; I1726-F1765 HydrophobicContact CG1-CD2 4.2Å; I1726-F1765 HydrophobicContact CG1-CE2 3.62Å; I1726-F1765 HydrophobicContact CG1-CZ 3.99Å; I1726-F1765 HydrophobicContact CG2-CD2 4.19Å; I1726-F1765 HydrophobicContact CG2-CE2 4.18Å; Y1731-F1765 HydrophobicContact CD1-CB 4.35Å; Y1731-F1765 HydrophobicContact CE1-CB 4.24Å; Y1731-F1765 HydrophobicContact CE2-CD2 4.2Å; L1734-F1765 HydrophobicContact CD1-CB 4Å; L1734-F1765 HydrophobicContact CD1-CD1 4.13Å; L1734-F1765 HydrophobicContact CD1-CG 4.09Å; L1734-F1765 HydrophobicContact CD2-CB 4.14Å; L1734-F1765 HydrophobicContact CD2-CD1 4.11Å; L1734-F1765 HydrophobicContact CD2-CD2 4.36Å; L1734-F1765 HydrophobicContact CD2-CE1 4.25Å; L1734-F1765 HydrophobicContact CD2-CG 4.09Å; E1761-F1765 VanDerWaalsContact O-CB 3.28Å; E1761-F1765 WeakPolarHBondContact O-CB 3.3Å; E1761-F1765 PolarHBondContact O-N 3.04Å; L1762-F1765 PolarHBondContact O-N 3.06Å; K1763-F1765 VanDerWaalsContact C-N 3.29Å; K1763-F1765 PolarHBondContact O-N 3.19Å; F1765-A1768 PolarHBondContact O-N 3.26Å; F1765-L1769 HydrophobicContact CD1-CD1 4.04Å; F1765-L1769 HydrophobicContact CD2-CD1 4.42Å; F1765-L1769 HydrophobicContact CD2-CG 4.13Å; F1765-L1769 HydrophobicContact CE1-CD1 3.52Å; F1765-L1769 VanDerWaalsContact CE1-CD1 3.47Å; F1765-L1769 HydrophobicContact CE1-CG 4.26Å; F1765-L1769 HydrophobicContact CE2-CD1 4.19Å; F1765-L1769 HydrophobicContact CE2-CD2 4.02Å; F1765-L1769 HydrophobicContact CE2-CG 3.86Å; F1765-L1769 HydrophobicContact CZ-CD1 3.65Å; F1765-L1769 HydrophobicContact CZ-CD2 4.35Å; F1765-L1769 HydrophobicContact CZ-CG 4.08Å; F1765-L1769 WeakPolarHBondContact O-CB 3.48Å; F1765-L1769 WeakPolarHBondContact O-CG 3.2Å; F1765-L1769 PolarHBondContact O-N 3.14Å; F1765-L1769 VanDerWaalsContact O-N 3.12Å; F1765-M1815 HydrophobicContact CE2-CE 3.94Å; F1765-M1815 HydrophobicContact CE2-SD 3.85Å; F1765-M1815 HydrophobicContact CZ-CE 3.91Å; F1765-M1815 HydrophobicContact CZ-SD 3.99Å |
| 1766 | L | 57.8 | Low | 54.1 | Low | 17 Ų | 17 | 62.8 Ų | 62.8 | 9% | 0.089 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.9 | -37.8 | 176 | -72.9 | 165.7 | 0 | 0 | 0 | 112.5 | L1692 I1696 L1699 I1705 F1711 L1715 L1762 K1763 A1768 L1769 Q1770 | L1692-L1766 HydrophobicContact CD2-CD2 4.02Å; I1696-L1766 HydrophobicContact CD1-CB 4.15Å; I1696-L1766 HydrophobicContact CD1-CD2 4.39Å; I1696-L1766 WeakPolarHBondContact CD1-O 3.33Å; I1696-L1766 HydrophobicContact CG1-CB 3.79Å; I1696-L1766 HydrophobicContact CG1-CD2 3.94Å; L1699-L1766 HydrophobicContact CD1-CD1 3.68Å; L1699-L1766 HydrophobicContact CD1-CD2 4.33Å; I1705-L1766 HydrophobicContact CD1-CD1 4.02Å; I1705-L1766 HydrophobicContact CG2-CD1 4.41Å; F1711-L1766 HydrophobicContact CE1-CD1 4.22Å; F1711-L1766 HydrophobicContact CZ-CD1 4.23Å; F1711-L1766 HydrophobicContact CZ-CD2 4.05Å; L1715-L1766 HydrophobicContact CD1-CD2 4.33Å; L1715-L1766 HydrophobicContact CD2-CD2 4.48Å; L1762-L1766 VanDerWaalsContact O-CB 3.3Å; L1762-L1766 WeakPolarHBondContact O-CB 3.34Å; L1762-L1766 WeakPolarHBondContact O-CD1 3.31Å; L1762-L1766 WeakPolarHBondContact O-CG 3.31Å; L1762-L1766 PolarHBondContact O-N 3.23Å; K1763-L1766 PolarHBondContact O-N 3.14Å; K1763-L1766 VanDerWaalsContact O-N 3.1Å; L1766-A1768 VanDerWaalsContact C-N 3.32Å; L1766-A1768 PolarHBondContact O-N 3.33Å; L1766-L1769 HydrophobicContact CD2-CD1 4.16Å; L1766-L1769 PolarHBondContact O-N 2.99Å; L1766-Q1770 WeakPolarHBondContact O-CB 3.3Å; L1766-Q1770 PolarHBondContact O-N 2.87Å |
| 1767 | E | 57.7 | Low | 52.6 | Low | 87 Ų | 87 | 61.6 Ų | 61.6 | 41% | 0.407 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 171.7 | -74.6 | 174.4 | 170.4 | 0 | 0 | 111.1 | I1696 K1763 Q1764 L1769 Q1770 I1771 H1790 | I1696-E1767 HydrophobicContact CD1-CG 4.17Å; I1696-E1767 HydrophobicContact CG1-CG 4.42Å; I1696-E1767 HydrophobicContact CG2-CG 3.68Å; K1763-E1767 WeakPolarHBondContact CE-OE1 3.33Å; K1763-E1767 HydrophobicContact CG-CG 4.3Å; K1763-E1767 IonicContact NZ-OE1 3.02Å; K1763-E1767 PolarHBondContact NZ-OE1 3.04Å; K1763-E1767 IonicContact NZ-OE2 2.62Å; K1763-E1767 PolarHBondContact NZ-OE2 3.21Å; K1763-E1767 WeakPolarHBondContact O-CB 3.26Å; K1763-E1767 VanDerWaalsContact O-CG 3.26Å; K1763-E1767 WeakPolarHBondContact O-CG 3.39Å; K1763-E1767 PolarHBondContact O-N 3.07Å; Q1764-E1767 PolarHBondContact O-N 2.59Å; E1767-L1769 VanDerWaalsContact C-N 3.3Å; E1767-L1769 PolarHBondContact O-N 3.34Å; E1767-Q1770 PolarHBondContact O-N 2.99Å; E1767-I1771 WeakPolarHBondContact O-CB 3.37Å; E1767-I1771 WeakPolarHBondContact O-CD1 3.35Å; E1767-I1771 VanDerWaalsContact O-CG1 3.3Å; E1767-I1771 WeakPolarHBondContact O-CG1 3.32Å; E1767-I1771 PolarHBondContact O-N 2.97Å; E1767-H1790 IonicContact OE2-CE1 3.92Å; E1767-H1790 PolarHBondContact OE2-CE1 3.42Å; E1767-H1790 VanDerWaalsContact OE2-CE1 3.28Å; E1767-H1790 IonicContact OE2-NE2 2.83Å |
| 1768 | A | 52.2 | Low | 50.7 | Low | 44.8 Ų | 44.8 | 60 Ų | 60 | 37% | 0.37 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.2 | -42.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1764 F1765 L1766 Q1770 I1771 E1772 | Q1764-A1768 VanDerWaalsContact O-CB 3.3Å; Q1764-A1768 WeakPolarHBondContact O-CB 3.31Å; Q1764-A1768 PolarHBondContact O-N 3.01Å; Q1764-A1768 VanDerWaalsContact O-N 3.07Å; F1765-A1768 PolarHBondContact O-N 3.26Å; L1766-A1768 VanDerWaalsContact C-N 3.32Å; L1766-A1768 PolarHBondContact O-N 3.33Å; A1768-Q1770 VanDerWaalsContact C-N 3.28Å; A1768-Q1770 PolarHBondContact O-N 3.31Å; A1768-I1771 PolarHBondContact O-N 3.24Å; A1768-I1771 VanDerWaalsContact O-N 3.09Å; A1768-E1772 WeakPolarHBondContact O-CB 3.36Å; A1768-E1772 WeakPolarHBondContact O-CG 3.36Å; A1768-E1772 PolarHBondContact O-N 3.24Å |
| 1769 | L | 48.9 | Very low | 48.9 | Very low | 16.2 Ų | 16.2 | 65 Ų | 65 | 9% | 0.085 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.5 | -30.4 | 176.2 | -79 | 173.8 | 0 | 0 | 0 | 112.7 | L1692 I1696 L1715 L1724 F1765 L1766 E1767 I1771 E1772 L1773 L1788 F1814 M1815 | L1692-L1769 HydrophobicContact CD1-CD1 4.24Å; I1696-L1769 HydrophobicContact CD1-CB 4.38Å; L1715-L1769 HydrophobicContact CD1-CD1 4.23Å; L1724-L1769 HydrophobicContact CD1-CD1 4.34Å; L1724-L1769 HydrophobicContact CD1-CD2 4.33Å; L1724-L1769 HydrophobicContact CD2-CD2 4.47Å; F1765-L1769 HydrophobicContact CD1-CD1 4.04Å; F1765-L1769 HydrophobicContact CD2-CD1 4.42Å; F1765-L1769 HydrophobicContact CD2-CG 4.13Å; F1765-L1769 HydrophobicContact CE1-CD1 3.52Å; F1765-L1769 VanDerWaalsContact CE1-CD1 3.47Å; F1765-L1769 HydrophobicContact CE1-CG 4.26Å; F1765-L1769 HydrophobicContact CE2-CD1 4.19Å; F1765-L1769 HydrophobicContact CE2-CD2 4.02Å; F1765-L1769 HydrophobicContact CE2-CG 3.86Å; F1765-L1769 HydrophobicContact CZ-CD1 3.65Å; F1765-L1769 HydrophobicContact CZ-CD2 4.35Å; F1765-L1769 HydrophobicContact CZ-CG 4.08Å; F1765-L1769 WeakPolarHBondContact O-CB 3.48Å; F1765-L1769 WeakPolarHBondContact O-CG 3.2Å; F1765-L1769 PolarHBondContact O-N 3.14Å; F1765-L1769 VanDerWaalsContact O-N 3.12Å; L1766-L1769 HydrophobicContact CD2-CD1 4.16Å; L1766-L1769 PolarHBondContact O-N 2.99Å; E1767-L1769 VanDerWaalsContact C-N 3.3Å; E1767-L1769 PolarHBondContact O-N 3.34Å; L1769-I1771 PolarHBondContact O-N 2.85Å; L1769-E1772 PolarHBondContact O-N 3.02Å; L1769-L1773 VanDerWaalsContact O-CB 3.31Å; L1769-L1773 WeakPolarHBondContact O-CB 3.21Å; L1769-L1773 WeakPolarHBondContact O-CD1 3.24Å; L1769-L1773 VanDerWaalsContact O-CG 3.28Å; L1769-L1773 WeakPolarHBondContact O-CG 3.33Å; L1769-L1773 PolarHBondContact O-N 3.38Å; L1769-L1788 HydrophobicContact CD1-CD1 4.4Å; L1769-L1788 HydrophobicContact CD2-CD1 4.45Å; L1769-F1814 HydrophobicContact CD2-CE1 4.33Å; L1769-M1815 HydrophobicContact CD2-CG 4.28Å; L1769-M1815 HydrophobicContact CD2-SD 3.89Å |
| 1770 | Q | 49.9 | Very low | 47.1 | Very low | 77.2 Ų | 77.2 | 72.2 Ų | 72.2 | 36% | 0.361 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -54.2 | -24.5 | 177.2 | -160.8 | 177.1 | 8.7 | 0 | 0 | 112.3 | S1693 I1696 L1766 E1767 A1768 E1772 L1773 Q1774 | S1693-Q1770 PolarHBondContact OG-NE2 3.41Å; I1696-Q1770 HydrophobicContact CD1-CB 3.93Å; I1696-Q1770 HydrophobicContact CD1-CG 4.43Å; L1766-Q1770 WeakPolarHBondContact O-CB 3.3Å; L1766-Q1770 PolarHBondContact O-N 2.87Å; E1767-Q1770 PolarHBondContact O-N 2.99Å; A1768-Q1770 VanDerWaalsContact C-N 3.28Å; A1768-Q1770 PolarHBondContact O-N 3.31Å; Q1770-E1772 VanDerWaalsContact C-N 3.32Å; Q1770-E1772 PolarHBondContact O-N 3.01Å; Q1770-E1772 VanDerWaalsContact O-N 3.07Å; Q1770-L1773 PolarHBondContact O-N 2.94Å; Q1770-Q1774 HydrophobicContact CG-CG 4.43Å; Q1770-Q1774 WeakPolarHBondContact O-CB 3.44Å; Q1770-Q1774 VanDerWaalsContact O-CG 3.29Å; Q1770-Q1774 WeakPolarHBondContact O-CG 3.35Å; Q1770-Q1774 PolarHBondContact O-N 3.3Å |
| 1771 | I | 42.6 | Very low | 45.3 | Very low | 101.2 Ų | 101.2 | 72.9 Ų | 72.9 | 52% | 0.519 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.8 | -31 | 171.9 | -66.6 | 166.1 | 0 | 0 | 0 | 110.2 | L1692 S1693 I1696 E1767 A1768 L1769 L1773 Q1774 S1775 | L1692-I1771 HydrophobicContact CB-CD1 3.5Å; L1692-I1771 HydrophobicContact CD1-CD1 4.01Å; L1692-I1771 HydrophobicContact CG-CD1 4.38Å; S1693-I1771 WeakPolarHBondContact OG-CG2 3.31Å; I1696-I1771 HydrophobicContact CD1-CD1 3.9Å; I1696-I1771 HydrophobicContact CD1-CG2 4.42Å; E1767-I1771 WeakPolarHBondContact O-CB 3.37Å; E1767-I1771 WeakPolarHBondContact O-CD1 3.35Å; E1767-I1771 VanDerWaalsContact O-CG1 3.3Å; E1767-I1771 WeakPolarHBondContact O-CG1 3.32Å; E1767-I1771 PolarHBondContact O-N 2.97Å; A1768-I1771 PolarHBondContact O-N 3.24Å; A1768-I1771 VanDerWaalsContact O-N 3.09Å; L1769-I1771 PolarHBondContact O-N 2.85Å; I1771-L1773 HydrophobicContact CG2-CG 4.28Å; I1771-L1773 PolarHBondContact O-N 3.3Å; I1771-Q1774 CarbonylContact O-C 3.56Å; I1771-Q1774 PolarHBondContact O-N 3.08Å; I1771-S1775 WeakPolarHBondContact O-CB 3.4Å; I1771-S1775 PolarHBondContact O-N 3.05Å |
| 1772 | E | 37.1 | Very low | 43.4 | Very low | 94.4 Ų | 94.4 | 77.3 Ų | 77.3 | 44% | 0.441 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.6 | -32.3 | 178.4 | -132.6 | 171.4 | -154 | 0 | 0 | 111.4 | A1768 L1769 Q1770 Q1774 S1775 E1776 M1778 F1814 V1818 | A1768-E1772 WeakPolarHBondContact O-CB 3.36Å; A1768-E1772 WeakPolarHBondContact O-CG 3.36Å; A1768-E1772 PolarHBondContact O-N 3.24Å; L1769-E1772 PolarHBondContact O-N 3.02Å; Q1770-E1772 VanDerWaalsContact C-N 3.32Å; Q1770-E1772 PolarHBondContact O-N 3.01Å; Q1770-E1772 VanDerWaalsContact O-N 3.07Å; E1772-Q1774 VanDerWaalsContact C-N 3.31Å; E1772-Q1774 PolarHBondContact O-N 3.14Å; E1772-S1775 WeakPolarHBondContact O-CA 3.32Å; E1772-S1775 WeakPolarHBondContact O-CB 3.24Å; E1772-S1775 PolarHBondContact O-N 3.33Å; E1772-S1775 VanDerWaalsContact O-N 3.1Å; E1772-S1775 PolarHBondContact O-OG 3.17Å; E1772-E1776 PolarHBondContact O-N 2.85Å; E1772-E1776 VanDerWaalsContact O-N 3.1Å; E1772-M1778 WeakPolarHBondContact O-CB 3.32Å; E1772-F1814 HydrophobicContact CB-CE1 4.16Å; E1772-F1814 HydrophobicContact CB-CE2 3.97Å; E1772-F1814 HydrophobicContact CB-CZ 3.35Å; E1772-V1818 HydrophobicContact CB-CG2 4.21Å; E1772-V1818 VanDerWaalsContact CD-CB 3.46Å; E1772-V1818 HydrophobicContact CG-CB 4.06Å; E1772-V1818 HydrophobicContact CG-CG1 3.91Å; E1772-V1818 HydrophobicContact CG-CG2 3.78Å; E1772-V1818 WeakPolarHBondContact OE1-CB 3.42Å; E1772-V1818 WeakPolarHBondContact OE1-CG1 3.45Å |
| 1773 | L | 38.8 | Very low | 42 | Very low | 32.8 Ų | 32.8 | 82.5 Ų | 82.5 | 17% | 0.172 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.3 | -19.1 | 175.5 | -77.4 | 162.1 | 0 | 0 | 0 | 112.8 | F1685 L1692 I1696 L1769 Q1770 I1771 S1775 N1777 M1778 A1785 F1789 F1814 | F1685-L1773 HydrophobicContact CE1-CD2 4.24Å; L1692-L1773 HydrophobicContact CB-CD1 4.09Å; L1692-L1773 HydrophobicContact CD1-CD1 3.37Å; I1696-L1773 HydrophobicContact CD1-CD1 3.67Å; I1696-L1773 HydrophobicContact CG2-CD1 3.89Å; L1769-L1773 VanDerWaalsContact O-CB 3.31Å; L1769-L1773 WeakPolarHBondContact O-CB 3.21Å; L1769-L1773 WeakPolarHBondContact O-CD1 3.24Å; L1769-L1773 VanDerWaalsContact O-CG 3.28Å; L1769-L1773 WeakPolarHBondContact O-CG 3.33Å; L1769-L1773 PolarHBondContact O-N 3.38Å; Q1770-L1773 PolarHBondContact O-N 2.94Å; I1771-L1773 HydrophobicContact CG2-CG 4.28Å; I1771-L1773 PolarHBondContact O-N 3.3Å; L1773-S1775 VanDerWaalsContact C-N 3.3Å; L1773-S1775 PolarHBondContact O-N 3.17Å; L1773-N1777 WeakPolarHBondContact O-CA 3.46Å; L1773-N1777 WeakPolarHBondContact O-CB 3.27Å; L1773-N1777 PolarHBondContact O-N 3.19Å; L1773-N1777 PolarHBondContact O-ND2 3.04Å; L1773-M1778 HydrophobicContact CD2-CG 4.17Å; L1773-M1778 HydrophobicContact CD2-SD 3.5Å; L1773-M1778 WeakPolarHBondContact CD2-SD 3.06Å; L1773-M1778 HydrophobicContact CG-SD 4.48Å; L1773-A1785 HydrophobicContact CD2-CB 4.17Å; L1773-F1789 HydrophobicContact CD1-CE1 4.36Å; L1773-F1789 HydrophobicContact CD1-CE2 4.1Å; L1773-F1789 HydrophobicContact CD1-CZ 3.44Å; L1773-F1789 VanDerWaalsContact CD1-CZ 3.44Å; L1773-F1789 HydrophobicContact CD2-CE2 3.61Å; L1773-F1789 HydrophobicContact CD2-CZ 4.06Å; L1773-F1789 HydrophobicContact CG-CE2 4.39Å; L1773-F1789 HydrophobicContact CG-CZ 4.37Å; L1773-F1814 HydrophobicContact CD2-CE1 4.38Å; L1773-F1814 HydrophobicContact CG-CE1 4.37Å; L1773-F1814 HydrophobicContact CG-CZ 4.42Å |
| 1774 | Q | 37.2 | Very low | 40.3 | Very low | 122.8 Ų | 122.8 | 82.3 Ų | 82.3 | 57% | 0.574 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -75.5 | -6.6 | 171.6 | -74 | -178.6 | 1.5 | 0 | 0 | 112.3 | Q1770 I1771 E1772 M1778 | Q1770-Q1774 HydrophobicContact CG-CG 4.43Å; Q1770-Q1774 WeakPolarHBondContact O-CB 3.44Å; Q1770-Q1774 VanDerWaalsContact O-CG 3.29Å; Q1770-Q1774 WeakPolarHBondContact O-CG 3.35Å; Q1770-Q1774 PolarHBondContact O-N 3.3Å; I1771-Q1774 CarbonylContact O-C 3.56Å; I1771-Q1774 PolarHBondContact O-N 3.08Å; E1772-Q1774 VanDerWaalsContact C-N 3.31Å; E1772-Q1774 PolarHBondContact O-N 3.14Å; Q1774-M1778 WeakPolarHBondContact O-CB 3.31Å; Q1774-M1778 VanDerWaalsContact O-CG 3.32Å; Q1774-M1778 WeakPolarHBondContact O-CG 3.26Å; Q1774-M1778 PolarHBondContact O-N 3.13Å |
| 1775 | S | 33.8 | Very low | 38.8 | Very low | 61 Ų | 61 | 79.3 Ų | 79.3 | 43% | 0.427 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -89.4 | 126 | 167.4 | 68.1 | 0 | 0 | 0 | 0 | 111.7 | I1771 E1772 L1773 N1777 M1778 | I1771-S1775 WeakPolarHBondContact O-CB 3.4Å; I1771-S1775 PolarHBondContact O-N 3.05Å; E1772-S1775 WeakPolarHBondContact O-CA 3.32Å; E1772-S1775 WeakPolarHBondContact O-CB 3.24Å; E1772-S1775 PolarHBondContact O-N 3.33Å; E1772-S1775 VanDerWaalsContact O-N 3.1Å; E1772-S1775 PolarHBondContact O-OG 3.17Å; L1773-S1775 VanDerWaalsContact C-N 3.3Å; L1773-S1775 PolarHBondContact O-N 3.17Å; S1775-N1777 PolarHBondContact O-N 3.28Å; S1775-M1778 PolarHBondContact O-N 2.9Å |
| 1776 | E | 30.3 | Very low | 37.3 | Very low | 128.6 Ų | 128.6 | 83.6 Ų | 83.6 | 60% | 0.601 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -68.4 | -35.7 | 175.5 | -66.9 | -174.7 | 124.7 | 0 | 0 | 112.7 | E1772 M1778 I1779 | E1772-E1776 PolarHBondContact O-N 2.85Å; E1772-E1776 VanDerWaalsContact O-N 3.1Å; E1776-M1778 VanDerWaalsContact C-N 3.28Å; E1776-M1778 PolarHBondContact O-N 3.22Å; E1776-M1778 VanDerWaalsContact O-N 3.16Å; E1776-I1779 VanDerWaalsContact O-CB 3.31Å; E1776-I1779 WeakPolarHBondContact O-CB 3.4Å; E1776-I1779 PolarHBondContact O-N 3.02Å |
| 1777 | N | 30.3 | Very low | 36 | Very low | 99.2 Ų | 99.2 | 88.2 Ų | 88.2 | 53% | 0.53 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.5 | -0.7 | 179.4 | -68.1 | -67.5 | 0 | 0 | 0 | 114.4 | L1773 S1775 I1779 Y1780 N1781 L1784 | L1773-N1777 WeakPolarHBondContact O-CA 3.46Å; L1773-N1777 WeakPolarHBondContact O-CB 3.27Å; L1773-N1777 PolarHBondContact O-N 3.19Å; L1773-N1777 PolarHBondContact O-ND2 3.04Å; S1775-N1777 PolarHBondContact O-N 3.28Å; N1777-I1779 PolarHBondContact O-N 3.03Å; N1777-Y1780 PolarHBondContact O-N 3.03Å; N1777-N1781 WeakPolarHBondContact O-CB 3.45Å; N1777-N1781 PolarHBondContact O-N 2.97Å; N1777-L1784 HydrophobicContact CB-CD1 4.36Å |
| 1778 | M | 30.6 | Very low | 34.6 | Very low | 78.6 Ų | 78.6 | 87.8 Ų | 87.8 | 39% | 0.387 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -15.8 | 162.6 | -92.9 | -105 | 84.3 | 0 | 0 | 113.2 | E1701 E1772 L1773 Q1774 S1775 E1776 Y1780 N1781 L1784 L1788 F1814 Y1822 | E1701-M1778 WeakPolarHBondContact OE2-CE 3.5Å; E1772-M1778 WeakPolarHBondContact O-CB 3.32Å; L1773-M1778 HydrophobicContact CD2-CG 4.17Å; L1773-M1778 HydrophobicContact CD2-SD 3.5Å; L1773-M1778 WeakPolarHBondContact CD2-SD 3.06Å; L1773-M1778 HydrophobicContact CG-SD 4.48Å; Q1774-M1778 WeakPolarHBondContact O-CB 3.31Å; Q1774-M1778 VanDerWaalsContact O-CG 3.32Å; Q1774-M1778 WeakPolarHBondContact O-CG 3.26Å; Q1774-M1778 PolarHBondContact O-N 3.13Å; S1775-M1778 PolarHBondContact O-N 2.9Å; E1776-M1778 VanDerWaalsContact C-N 3.28Å; E1776-M1778 PolarHBondContact O-N 3.22Å; E1776-M1778 VanDerWaalsContact O-N 3.16Å; M1778-Y1780 PolarHBondContact O-N 3.23Å; M1778-N1781 HydrophobicContact CE-CB 4.18Å; M1778-N1781 PolarHBondContact O-N 3.32Å; M1778-N1781 HydrophobicContact SD-CB 4.08Å; M1778-L1784 HydrophobicContact CE-CB 4.27Å; M1778-L1784 HydrophobicContact CE-CD1 4.28Å; M1778-L1784 HydrophobicContact CE-CD2 3.89Å; M1778-L1784 HydrophobicContact SD-CD2 4.22Å; M1778-L1788 HydrophobicContact CE-CD1 4.36Å; M1778-L1788 HydrophobicContact SD-CD1 4.01Å; M1778-F1814 HydrophobicContact CE-CD2 4.23Å; M1778-F1814 HydrophobicContact CE-CE2 4.44Å; M1778-F1814 HydrophobicContact CE-CG 4.4Å; M1778-F1814 HydrophobicContact CG-CD2 3.87Å; M1778-F1814 HydrophobicContact CG-CE1 4.15Å; M1778-F1814 HydrophobicContact CG-CE2 3.14Å; M1778-F1814 HydrophobicContact CG-CZ 3.29Å; M1778-F1814 HydrophobicContact SD-CD1 3.9Å; M1778-F1814 HydrophobicContact SD-CD2 3.78Å; M1778-F1814 HydrophobicContact SD-CE1 3.61Å; M1778-F1814 HydrophobicContact SD-CE2 3.52Å; M1778-F1814 VanDerWaalsContact SD-CE2 3.52Å; M1778-F1814 HydrophobicContact SD-CG 3.96Å; M1778-F1814 HydrophobicContact SD-CZ 3.39Å; M1778-F1814 WeakPolarHBondContact SD-CZ 3.03Å; M1778-Y1822 HydrophobicContact CB-CE1 4.22Å; M1778-Y1822 HydrophobicContact CB-CE2 4.39Å; M1778-Y1822 WeakPolarHBondContact CB-OH 3.46Å; M1778-Y1822 HydrophobicContact CE-CD1 3.6Å; M1778-Y1822 HydrophobicContact CE-CD2 4.18Å; M1778-Y1822 HydrophobicContact CE-CE1 3.62Å; M1778-Y1822 HydrophobicContact CE-CE2 4.21Å; M1778-Y1822 HydrophobicContact CE-CG 3.9Å; M1778-Y1822 HydrophobicContact SD-CD2 4.27Å; M1778-Y1822 HydrophobicContact SD-CE1 4.43Å; M1778-Y1822 HydrophobicContact SD-CE2 4.05Å |
| 1779 | I | 30.4 | Very low | 33.5 | Very low | 106.2 Ų | 106.2 | 91.1 Ų | 91.1 | 55% | 0.545 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -22.8 | -175.1 | -52.9 | 178.1 | 0 | 0 | 0 | 111.9 | E1776 N1777 | E1776-I1779 VanDerWaalsContact O-CB 3.31Å; E1776-I1779 WeakPolarHBondContact O-CB 3.4Å; E1776-I1779 PolarHBondContact O-N 3.02Å; N1777-I1779 PolarHBondContact O-N 3.03Å |
| 1780 | Y | 27.8 | Very low | 32.5 | Very low | 163.4 Ų | 163.4 | 96.3 Ų | 96.3 | 64% | 0.641 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.2 | 14.6 | -177.8 | -83.8 | -80.2 | 0 | 0 | 0 | 116.9 | N1777 M1778 D1782 M1815 Q2507 N2510 N2511 | N1777-Y1780 PolarHBondContact O-N 3.03Å; M1778-Y1780 PolarHBondContact O-N 3.23Å; Y1780-D1782 PolarHBondContact O-N 2.85Å; Y1780-D1782 VanDerWaalsContact O-N 3.14Å; Y1780-M1815 HydrophobicContact CD1-CE 3.77Å; Y1780-M1815 HydrophobicContact CD1-SD 4.04Å; Y1780-M1815 HydrophobicContact CE1-CE 4.14Å; Y1780-M1815 HydrophobicContact CE1-SD 3.79Å; Y1780-Q2507 HydrophobicContact CD1-CB 3.68Å; Y1780-Q2507 HydrophobicContact CD1-CG 3.62Å; Y1780-Q2507 HydrophobicContact CD2-CG 3.69Å; Y1780-Q2507 HydrophobicContact CE1-CB 3.86Å; Y1780-Q2507 HydrophobicContact CE1-CG 3.76Å; Y1780-Q2507 HydrophobicContact CE2-CG 3.79Å; Y1780-Q2507 HydrophobicContact CG-CB 4.1Å; Y1780-Q2507 HydrophobicContact CG-CG 3.58Å; Y1780-Q2507 PolarHBondContact OH-O 2.72Å; Y1780-N2510 HydrophobicContact CE1-CB 3.9Å; Y1780-N2510 WeakPolarHBondContact OH-CB 3.43Å; Y1780-N2511 PolarHBondContact OH-N 3.34Å; Y1780-N2511 PolarHBondContact OH-OD1 3.12Å |
| 1781 | N | 28.7 | Very low | 31.2 | Very low | 93.8 Ų | 93.8 | 97 Ų | 97 | 50% | 0.502 | 48% | 0.481 | S | S | . | . | trans | -113.3 | 80.9 | 178 | -114.7 | -35.3 | 0 | 0 | 0 | 112.8 | N1777 M1778 I1783 L1784 A1785 | N1777-N1781 WeakPolarHBondContact O-CB 3.45Å; N1777-N1781 PolarHBondContact O-N 2.97Å; M1778-N1781 HydrophobicContact CE-CB 4.18Å; M1778-N1781 PolarHBondContact O-N 3.32Å; M1778-N1781 HydrophobicContact SD-CB 4.08Å; N1781-I1783 VanDerWaalsContact C-N 3.28Å; N1781-I1783 PolarHBondContact O-N 3.22Å; N1781-I1783 VanDerWaalsContact O-N 3.11Å; N1781-L1784 HydrophobicContact CB-CB 4.01Å; N1781-L1784 WeakPolarHBondContact O-CA 3.12Å; N1781-L1784 VanDerWaalsContact O-CB 3.25Å; N1781-L1784 WeakPolarHBondContact O-CB 3.32Å; N1781-L1784 PolarHBondContact O-N 3.27Å; N1781-A1785 PolarHBondContact O-N 3.19Å | ||
| 1782 | D | 29.3 | Very low | 30.3 | Very low | 108.8 Ų | 108.8 | 96.7 Ų | 96.7 | 58% | 0.582 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.9 | -17.1 | 174.5 | -122.9 | -1.8 | 0 | 0 | 0 | 113.5 | Y1780 L1784 A1785 K1786 | Y1780-D1782 PolarHBondContact O-N 2.85Å; Y1780-D1782 VanDerWaalsContact O-N 3.14Å; D1782-L1784 PolarHBondContact O-N 2.87Å; D1782-A1785 PolarHBondContact O-N 3.11Å; D1782-K1786 VanDerWaalsContact O-CB 3.23Å; D1782-K1786 WeakPolarHBondContact O-CB 3.44Å; D1782-K1786 WeakPolarHBondContact O-CD 3.49Å; D1782-K1786 WeakPolarHBondContact O-CG 3.17Å; D1782-K1786 PolarHBondContact O-N 3.19Å; D1782-K1786 PolarHBondContact O-NZ 3.4Å; D1782-K1786 IonicContact OD1-NZ 3.42Å; D1782-K1786 PolarHBondContact OD1-NZ 3.17Å; D1782-K1786 IonicContact OD2-NZ 3.51Å; D1782-K1786 PolarHBondContact OD2-NZ 3.25Å |
| 1783 | I | 31.3 | Very low | 29.7 | Very low | 110.2 Ų | 110.2 | 98.6 Ų | 98.6 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -74.4 | -24.6 | 178.5 | -57.3 | 173 | 0 | 0 | 0 | 111.7 | N1781 A1785 K1786 H1787 | N1781-I1783 VanDerWaalsContact C-N 3.28Å; N1781-I1783 PolarHBondContact O-N 3.22Å; N1781-I1783 VanDerWaalsContact O-N 3.11Å; I1783-A1785 HydrophobicContact CG2-CB 3.45Å; I1783-A1785 VanDerWaalsContact CG2-CB 3.45Å; I1783-A1785 PolarHBondContact O-N 3.14Å; I1783-K1786 WeakPolarHBondContact O-CB 3.48Å; I1783-K1786 PolarHBondContact O-N 3.15Å; I1783-H1787 WeakPolarHBondContact O-CB 3.21Å; I1783-H1787 VanDerWaalsContact O-CG 3.32Å; I1783-H1787 PolarHBondContact O-N 3.21Å; I1783-H1787 PolarHBondContact O-ND1 2.9Å |
| 1784 | L | 29.6 | Very low | 28.9 | Very low | 73.8 Ų | 73.8 | 101.3 Ų | 101.3 | 39% | 0.386 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.8 | -30 | 168 | -129.3 | 141.7 | 0 | 0 | 0 | 112.7 | Y1722 N1777 M1778 N1781 D1782 K1786 H1787 L1788 F1814 | Y1722-L1784 HydrophobicContact CD1-CD1 3.86Å; Y1722-L1784 HydrophobicContact CD2-CD1 4.21Å; Y1722-L1784 HydrophobicContact CD2-CG 4.46Å; Y1722-L1784 HydrophobicContact CE1-CD1 4.48Å; Y1722-L1784 HydrophobicContact CG-CD1 3.72Å; Y1722-L1784 HydrophobicContact CG-CG 4.44Å; N1777-L1784 HydrophobicContact CB-CD1 4.36Å; M1778-L1784 HydrophobicContact CE-CB 4.27Å; M1778-L1784 HydrophobicContact CE-CD1 4.28Å; M1778-L1784 HydrophobicContact CE-CD2 3.89Å; M1778-L1784 HydrophobicContact SD-CD2 4.22Å; N1781-L1784 HydrophobicContact CB-CB 4.01Å; N1781-L1784 WeakPolarHBondContact O-CA 3.12Å; N1781-L1784 VanDerWaalsContact O-CB 3.25Å; N1781-L1784 WeakPolarHBondContact O-CB 3.32Å; N1781-L1784 PolarHBondContact O-N 3.27Å; D1782-L1784 PolarHBondContact O-N 2.87Å; L1784-K1786 VanDerWaalsContact C-N 3.26Å; L1784-K1786 PolarHBondContact O-N 2.99Å; L1784-H1787 CarbonylContact O-C 3.5Å; L1784-H1787 PolarHBondContact O-N 3.32Å; L1784-H1787 VanDerWaalsContact O-N 3.16Å; L1784-L1788 HydrophobicContact CD2-CD1 3.84Å; L1784-L1788 HydrophobicContact CD2-CG 4.12Å; L1784-L1788 WeakPolarHBondContact O-CB 3.43Å; L1784-L1788 WeakPolarHBondContact O-CD1 3.41Å; L1784-L1788 VanDerWaalsContact O-CG 3.26Å; L1784-L1788 WeakPolarHBondContact O-CG 3.27Å; L1784-L1788 PolarHBondContact O-N 3.18Å; L1784-L1788 VanDerWaalsContact O-N 3.13Å; L1784-F1814 HydrophobicContact CD2-CB 3.79Å |
| 1785 | A | 29.6 | Very low | 28.2 | Very low | 33.4 Ų | 33.4 | 103.1 Ų | 103.1 | 28% | 0.276 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -73.6 | -31.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1685 I1688 L1773 N1781 D1782 I1783 H1787 L1788 F1789 | F1685-A1785 HydrophobicContact CE2-CB 4.15Å; F1685-A1785 HydrophobicContact CZ-CB 4.5Å; I1688-A1785 HydrophobicContact CD1-CB 4.03Å; L1773-A1785 HydrophobicContact CD2-CB 4.17Å; N1781-A1785 PolarHBondContact O-N 3.19Å; D1782-A1785 PolarHBondContact O-N 3.11Å; I1783-A1785 HydrophobicContact CG2-CB 3.45Å; I1783-A1785 VanDerWaalsContact CG2-CB 3.45Å; I1783-A1785 PolarHBondContact O-N 3.14Å; A1785-H1787 VanDerWaalsContact C-N 3.29Å; A1785-H1787 PolarHBondContact O-N 3.02Å; A1785-L1788 PolarHBondContact O-N 3.2Å; A1785-L1788 VanDerWaalsContact O-N 3.14Å; A1785-F1789 WeakPolarHBondContact O-CD2 3.43Å; A1785-F1789 VanDerWaalsContact O-CE2 3.24Å; A1785-F1789 WeakPolarHBondContact O-CE2 3.18Å; A1785-F1789 PolarHBondContact O-N 3.12Å; A1785-F1789 VanDerWaalsContact O-N 3.17Å; A1785-F1789 VanDerWaalsContact O-O 3.13Å |
| 1786 | K | 30.4 | Very low | 27.7 | Very low | 105 Ų | 105 | 105.9 Ų | 105.9 | 46% | 0.457 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -72.7 | -23 | 175.9 | -70.6 | -178.7 | 178.8 | 143.8 | 0 | 114.1 | F1680 D1782 I1783 L1784 L1788 H1790 | F1680-K1786 PolarHBondContact O-NZ 2.83Å; D1782-K1786 VanDerWaalsContact O-CB 3.23Å; D1782-K1786 WeakPolarHBondContact O-CB 3.44Å; D1782-K1786 WeakPolarHBondContact O-CD 3.49Å; D1782-K1786 WeakPolarHBondContact O-CG 3.17Å; D1782-K1786 PolarHBondContact O-N 3.19Å; D1782-K1786 PolarHBondContact O-NZ 3.4Å; D1782-K1786 IonicContact OD1-NZ 3.42Å; D1782-K1786 PolarHBondContact OD1-NZ 3.17Å; D1782-K1786 IonicContact OD2-NZ 3.51Å; D1782-K1786 PolarHBondContact OD2-NZ 3.25Å; I1783-K1786 WeakPolarHBondContact O-CB 3.48Å; I1783-K1786 PolarHBondContact O-N 3.15Å; L1784-K1786 VanDerWaalsContact C-N 3.26Å; L1784-K1786 PolarHBondContact O-N 2.99Å; K1786-L1788 PolarHBondContact O-N 2.87Å; K1786-H1790 WeakPolarHBondContact O-CB 3.4Å; K1786-H1790 PolarHBondContact O-CD2 3.15Å; K1786-H1790 VanDerWaalsContact O-CG 3.24Å; K1786-H1790 PolarHBondContact O-N 3.45Å |
| 1787 | H | 30.3 | Very low | 27.4 | Very low | 114.8 Ų | 114.8 | 105.5 Ų | 105.5 | 53% | 0.531 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -89.6 | -18.3 | 178.2 | -88.5 | -37.2 | 0 | 0 | 0 | 114.7 | Y1722 I1783 L1784 A1785 F1789 H1790 | Y1722-H1787 HydrophobicContact CE2-CB 4.16Å; Y1722-H1787 AromaticContact CZ-CD2 3.98Å; Y1722-H1787 PolarHBondContact OH-CD2 3.34Å; I1783-H1787 WeakPolarHBondContact O-CB 3.21Å; I1783-H1787 VanDerWaalsContact O-CG 3.32Å; I1783-H1787 PolarHBondContact O-N 3.21Å; I1783-H1787 PolarHBondContact O-ND1 2.9Å; L1784-H1787 CarbonylContact O-C 3.5Å; L1784-H1787 PolarHBondContact O-N 3.32Å; L1784-H1787 VanDerWaalsContact O-N 3.16Å; A1785-H1787 VanDerWaalsContact C-N 3.29Å; A1785-H1787 PolarHBondContact O-N 3.02Å; H1787-F1789 VanDerWaalsContact C-N 3.33Å; H1787-F1789 PolarHBondContact O-N 3.17Å; H1787-H1790 PolarHBondContact O-CD2 3.37Å; H1787-H1790 PolarHBondContact O-N 3.17Å |
| 1788 | L | 27.9 | Very low | 27 | Very low | 77.2 Ų | 77.2 | 104.9 Ų | 104.9 | 40% | 0.404 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -87.3 | -28.1 | 179.6 | -80.9 | 162.8 | 0 | 0 | 0 | 113.6 | L1715 A1718 L1769 M1778 L1784 A1785 K1786 P1811 F1814 | L1715-L1788 HydrophobicContact CD1-CD2 3.75Å; A1718-L1788 HydrophobicContact CB-CD2 3.73Å; A1718-L1788 HydrophobicContact CB-CG 4.3Å; L1769-L1788 HydrophobicContact CD1-CD1 4.4Å; L1769-L1788 HydrophobicContact CD2-CD1 4.45Å; M1778-L1788 HydrophobicContact CE-CD1 4.36Å; M1778-L1788 HydrophobicContact SD-CD1 4.01Å; L1784-L1788 HydrophobicContact CD2-CD1 3.84Å; L1784-L1788 HydrophobicContact CD2-CG 4.12Å; L1784-L1788 WeakPolarHBondContact O-CB 3.43Å; L1784-L1788 WeakPolarHBondContact O-CD1 3.41Å; L1784-L1788 VanDerWaalsContact O-CG 3.26Å; L1784-L1788 WeakPolarHBondContact O-CG 3.27Å; L1784-L1788 PolarHBondContact O-N 3.18Å; L1784-L1788 VanDerWaalsContact O-N 3.13Å; A1785-L1788 PolarHBondContact O-N 3.2Å; A1785-L1788 VanDerWaalsContact O-N 3.14Å; K1786-L1788 PolarHBondContact O-N 2.87Å; L1788-P1811 HydrophobicContact CD2-CB 3.89Å; L1788-P1811 HydrophobicContact CD2-CG 3.77Å; L1788-P1811 HydrophobicContact CG-CB 4.28Å; L1788-P1811 HydrophobicContact CG-CG 4.44Å; L1788-F1814 HydrophobicContact CD1-CB 4.37Å; L1788-F1814 HydrophobicContact CD1-CD1 3.59Å; L1788-F1814 HydrophobicContact CD1-CE1 4.18Å; L1788-F1814 HydrophobicContact CD1-CG 4.22Å; L1788-F1814 HydrophobicContact CD2-CD1 4.28Å |
| 1789 | F | 29.6 | Very low | 26.7 | Very low | 113.6 Ų | 113.6 | 106 Ų | 106 | 50% | 0.498 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.7 | 33.7 | -174.3 | -66.1 | -80 | 0 | 0 | 0 | 113.8 | I1688 L1692 L1773 A1785 H1787 L1791 M1815 | I1688-F1789 HydrophobicContact CD1-CB 4.11Å; I1688-F1789 HydrophobicContact CD1-CG 4.48Å; I1688-F1789 HydrophobicContact CG1-CB 4.29Å; I1688-F1789 HydrophobicContact CG2-CB 4.27Å; I1688-F1789 HydrophobicContact CG2-CD1 4.02Å; I1688-F1789 HydrophobicContact CG2-CD2 3.72Å; I1688-F1789 HydrophobicContact CG2-CE1 4.5Å; I1688-F1789 HydrophobicContact CG2-CE2 3.96Å; I1688-F1789 HydrophobicContact CG2-CG 3.66Å; L1692-F1789 HydrophobicContact CD1-CD1 4.48Å; L1692-F1789 HydrophobicContact CD1-CE1 4.03Å; L1692-F1789 HydrophobicContact CD1-CE2 3.89Å; L1692-F1789 HydrophobicContact CD1-CZ 3.73Å; L1692-F1789 VanDerWaalsContact CD1-CZ 3.44Å; L1692-F1789 HydrophobicContact CD2-CE1 4.2Å; L1692-F1789 HydrophobicContact CD2-CZ 3.99Å; L1692-F1789 HydrophobicContact CG-CE1 4.06Å; L1692-F1789 HydrophobicContact CG-CE2 4.41Å; L1692-F1789 HydrophobicContact CG-CZ 3.57Å; L1773-F1789 HydrophobicContact CD1-CE1 4.36Å; L1773-F1789 HydrophobicContact CD1-CE2 4.1Å; L1773-F1789 HydrophobicContact CD1-CZ 3.44Å; L1773-F1789 VanDerWaalsContact CD1-CZ 3.44Å; L1773-F1789 HydrophobicContact CD2-CE2 3.61Å; L1773-F1789 HydrophobicContact CD2-CZ 4.06Å; L1773-F1789 HydrophobicContact CG-CE2 4.39Å; L1773-F1789 HydrophobicContact CG-CZ 4.37Å; A1785-F1789 WeakPolarHBondContact O-CD2 3.43Å; A1785-F1789 VanDerWaalsContact O-CE2 3.24Å; A1785-F1789 WeakPolarHBondContact O-CE2 3.18Å; A1785-F1789 PolarHBondContact O-N 3.12Å; A1785-F1789 VanDerWaalsContact O-N 3.17Å; A1785-F1789 VanDerWaalsContact O-O 3.13Å; H1787-F1789 VanDerWaalsContact C-N 3.33Å; H1787-F1789 PolarHBondContact O-N 3.17Å; F1789-L1791 PolarHBondContact O-N 3.07Å; F1789-M1815 HydrophobicContact CD1-CE 3.92Å; F1789-M1815 HydrophobicContact CE1-CE 3.42Å; F1789-M1815 VanDerWaalsContact CE1-CE 3.42Å; F1789-M1815 HydrophobicContact CE1-SD 3.73Å; F1789-M1815 HydrophobicContact CZ-CE 3.81Å; F1789-M1815 HydrophobicContact CZ-SD 3.95Å |
| 1790 | H | 27.1 | Very low | 26.3 | Very low | 126 Ų | 126 | 112.1 Ų | 112.1 | 58% | 0.583 | 59% | 0.594 | S | S | * | * | trans | -101 | 64.3 | 176.9 | -98.2 | -45.3 | 0 | 0 | 0 | 113.2 | V933 K935 K1763 E1767 K1786 H1787 P1792 | V933-H1790 HydrophobicContact CB-CB 4Å; V933-H1790 VanDerWaalsContact CB-O 3.29Å; V933-H1790 WeakPolarHBondContact CB-O 3.2Å; V933-H1790 HydrophobicContact CG1-CB 3.97Å; V933-H1790 VanDerWaalsContact CG1-CD2 3.42Å; V933-H1790 WeakPolarHBondContact CG1-CD2 3.35Å; V933-H1790 HydrophobicContact CG2-CB 4.22Å; V933-H1790 WeakPolarHBondContact CG2-O 3.12Å; K935-H1790 VanDerWaalsContact CE-NE2 3.32Å; K935-H1790 WeakPolarHBondContact CE-NE2 3.25Å; K935-H1790 PolarHBondContact NZ-NE2 2.9Å; K1763-H1790 PolarHBondContact NZ-NE2 2.94Å; E1767-H1790 IonicContact OE2-CE1 3.92Å; E1767-H1790 PolarHBondContact OE2-CE1 3.42Å; E1767-H1790 VanDerWaalsContact OE2-CE1 3.28Å; E1767-H1790 IonicContact OE2-NE2 2.83Å; K1786-H1790 WeakPolarHBondContact O-CB 3.4Å; K1786-H1790 PolarHBondContact O-CD2 3.15Å; K1786-H1790 VanDerWaalsContact O-CG 3.24Å; K1786-H1790 PolarHBondContact O-N 3.45Å; H1787-H1790 PolarHBondContact O-CD2 3.37Å; H1787-H1790 PolarHBondContact O-N 3.17Å; H1790-P1792 WeakPolarHBondContact O-CD 3.43Å | ||
| 1791 | L | 23.4 | Very low | 26.1 | Very low | 92 Ų | 92 | 111.4 Ų | 111.4 | 48% | 0.482 | 60% | 0.601 | S | S | . | * | trans | -116.4 | 114.8 | 160.9 | -102.5 | 161.1 | 0 | 0 | 0 | 109.7 | I931 E932 V933 C1669 E1691 E1701 N1714 F1789 I1793 L2063 | I931-L1791 HydrophobicContact CB-CD1 4.02Å; I931-L1791 HydrophobicContact CG1-CB 4.43Å; I931-L1791 HydrophobicContact CG1-CD1 4.07Å; I931-L1791 HydrophobicContact CG2-CB 3.84Å; I931-L1791 HydrophobicContact CG2-CD1 3.85Å; I931-L1791 HydrophobicContact CG2-CG 4.49Å; E932-L1791 VanDerWaalsContact O-CD1 3.29Å; E932-L1791 WeakPolarHBondContact O-CD1 3.16Å; V933-L1791 HydrophobicContact CG2-CD1 3.77Å; V933-L1791 HydrophobicContact CG2-CD2 4.41Å; V933-L1791 HydrophobicContact CG2-CG 3.6Å; C1669-L1791 HydrophobicContact CB-CD2 4.35Å; E1691-L1791 WeakPolarHBondContact OE2-CD1 3.49Å; E1701-L1791 WeakPolarHBondContact OE1-CD2 3.23Å; N1714-L1791 HydrophobicContact CB-CD2 4.08Å; F1789-L1791 PolarHBondContact O-N 3.07Å; L1791-I1793 VanDerWaalsContact C-N 3.31Å; L1791-I1793 HydrophobicContact CB-CG1 4.39Å; L1791-I1793 PolarHBondContact O-N 3.03Å; L1791-L2063 HydrophobicContact CD1-CD2 4.41Å | ||
| 1792 | P | 23.3 | Very low | 25.8 | Very low | 94.2 Ų | 94.2 | 117.3 Ų | 117.3 | 61% | 0.612 | 62% | 0.616 | S | S | * | * | trans | -84 | 109 | -172.2 | 32.5 | -30.7 | 0 | 0 | 0 | 111.1 | H1790 A1794 | H1790-P1792 WeakPolarHBondContact O-CD 3.43Å; P1792-A1794 VanDerWaalsContact C-N 3.3Å; P1792-A1794 PolarHBondContact O-N 3.24Å; P1792-A1794 VanDerWaalsContact O-N 3.14Å | ||
| 1793 | I | 23.6 | Very low | 25.5 | Very low | 135 Ų | 135 | 119.1 Ų | 119.1 | 69% | 0.692 | 63% | 0.626 | S | S | * | * | trans | -66 | 98.6 | 168.2 | -56.2 | 175.8 | 0 | 0 | 0 | 110 | F1680 L1695 L1791 M1795 | F1680-I1793 HydrophobicContact CE1-CB 3.64Å; F1680-I1793 HydrophobicContact CE1-CD1 4.39Å; F1680-I1793 HydrophobicContact CE1-CG1 4.46Å; F1680-I1793 HydrophobicContact CE1-CG2 4.2Å; F1680-I1793 HydrophobicContact CZ-CB 3.85Å; F1680-I1793 WeakPolarHBondContact CZ-O 3.44Å; L1695-I1793 HydrophobicContact CD1-CD1 4.24Å; L1791-I1793 VanDerWaalsContact C-N 3.31Å; L1791-I1793 HydrophobicContact CB-CG1 4.39Å; L1791-I1793 PolarHBondContact O-N 3.03Å; I1793-M1795 VanDerWaalsContact C-N 3.32Å; I1793-M1795 HydrophobicContact CG2-CB 4.23Å; I1793-M1795 HydrophobicContact CG2-CG 3.72Å; I1793-M1795 PolarHBondContact O-N 2.97Å; I1793-M1795 VanDerWaalsContact O-N 3.09Å | ||
| 1794 | A | 23 | Very low | 25.1 | Very low | 90 Ų | 90 | 119.6 Ų | 119.6 | 74% | 0.744 | 63% | 0.629 | S | S | * | * | trans | -79.3 | 112.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | P1792 N1796 | P1792-A1794 VanDerWaalsContact C-N 3.3Å; P1792-A1794 PolarHBondContact O-N 3.24Å; P1792-A1794 VanDerWaalsContact O-N 3.14Å; A1794-N1796 VanDerWaalsContact C-N 3.26Å; A1794-N1796 PolarHBondContact O-N 2.92Å | ||
| 1795 | M | 23 | Very low | 24.8 | Very low | 159.8 Ų | 159.8 | 122.4 Ų | 122.4 | 79% | 0.787 | 65% | 0.649 | S | S | * | * | trans | -57 | 90.5 | 159.3 | -89.7 | -130.8 | -179.2 | 0 | 0 | 111.6 | I1793 P1797 | I1793-M1795 VanDerWaalsContact C-N 3.32Å; I1793-M1795 HydrophobicContact CG2-CB 4.23Å; I1793-M1795 HydrophobicContact CG2-CG 3.72Å; I1793-M1795 PolarHBondContact O-N 2.97Å; I1793-M1795 VanDerWaalsContact O-N 3.09Å; M1795-P1797 VanDerWaalsContact O-CD 3.27Å; M1795-P1797 WeakPolarHBondContact O-CD 3.13Å | ||
| 1796 | N | 23.2 | Very low | 24.4 | Very low | 121 Ų | 121 | 124.9 Ų | 124.9 | 65% | 0.647 | 66% | 0.664 | S | S | * | * | trans | -93 | 117.8 | 157.4 | -154.3 | -22.4 | 0 | 0 | 0 | 111.4 | A1794 A1798 S1799 | A1794-N1796 VanDerWaalsContact C-N 3.26Å; A1794-N1796 PolarHBondContact O-N 2.92Å; N1796-A1798 PolarHBondContact O-N 3.18Å; N1796-A1798 VanDerWaalsContact O-N 3.14Å; N1796-A1798 PolarHBondContact OD1-N 3.18Å; N1796-A1798 VanDerWaalsContact OD1-N 3.15Å; N1796-S1799 PolarHBondContact O-N 2.9Å; N1796-S1799 PolarHBondContact O-OG 3.2Å | ||
| 1797 | P | 22.3 | Very low | 24.1 | Very low | 119.8 Ų | 119.8 | 128.2 Ų | 128.2 | 78% | 0.778 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 17 | -170.7 | -0.2 | 6.7 | 0 | 0 | 0 | 115.6 | M1795 S1799 | M1795-P1797 VanDerWaalsContact O-CD 3.27Å; M1795-P1797 WeakPolarHBondContact O-CD 3.13Å; P1797-S1799 PolarHBondContact O-N 3.35Å |
| 1798 | A | 22.7 | Very low | 23.8 | Very low | 85.6 Ų | 85.6 | 127.1 Ų | 127.1 | 71% | 0.707 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | 4.5 | -173 | 0 | 0 | 0 | 0 | 0 | 115.2 | N1796 R1800 | N1796-A1798 PolarHBondContact O-N 3.18Å; N1796-A1798 VanDerWaalsContact O-N 3.14Å; N1796-A1798 PolarHBondContact OD1-N 3.18Å; N1796-A1798 VanDerWaalsContact OD1-N 3.15Å; A1798-R1800 PolarHBondContact O-N 2.95Å; A1798-R1800 VanDerWaalsContact O-N 3.14Å |
| 1799 | S | 24.3 | Very low | 23.6 | Very low | 102.6 Ų | 102.6 | 127 Ų | 127 | 72% | 0.717 | 69% | 0.69 | S | S | * | * | trans | -99.5 | 57.2 | -178.3 | 63.4 | 0 | 0 | 0 | 0 | 115.2 | N1796 P1797 L1801 | N1796-S1799 PolarHBondContact O-N 2.9Å; N1796-S1799 PolarHBondContact O-OG 3.2Å; P1797-S1799 PolarHBondContact O-N 3.35Å; S1799-L1801 PolarHBondContact O-N 3.34Å | ||
| 1800 | R | 21.9 | Very low | 23.3 | Very low | 234.8 Ų | 234.8 | 129.5 Ų | 129.5 | 89% | 0.886 | 70% | 0.696 | S | S | * | * | trans | -68.9 | 62.7 | 153.3 | -81 | -173.1 | 178.5 | -176.9 | 1.1 | 113.5 | A1798 | A1798-R1800 PolarHBondContact O-N 2.95Å; A1798-R1800 VanDerWaalsContact O-N 3.14Å | ||
| 1801 | L | 23.1 | Very low | 23.2 | Very low | 148.8 Ų | 148.8 | 126.6 Ų | 126.6 | 78% | 0.779 | 69% | 0.689 | S | S | * | * | trans | 172.8 | 72.1 | -178.6 | -76.1 | 161.8 | 0 | 0 | 0 | 115 | L1672 S1799 | L1672-L1801 HydrophobicContact CD1-CD1 3.35Å; L1672-L1801 HydrophobicContact CD1-CD2 3.76Å; L1672-L1801 HydrophobicContact CD1-CG 4.01Å; L1672-L1801 HydrophobicContact CD2-CD1 3.72Å; L1672-L1801 HydrophobicContact CD2-CD2 3.88Å; L1672-L1801 HydrophobicContact CD2-CG 3.81Å; L1672-L1801 HydrophobicContact CG-CD1 4.12Å; L1672-L1801 HydrophobicContact CG-CD2 4.14Å; L1672-L1801 HydrophobicContact CG-CG 4.43Å; S1799-L1801 PolarHBondContact O-N 3.34Å | ||
| 1802 | R | 23.5 | Very low | 23.3 | Very low | 216 Ų | 216 | 126.7 Ų | 126.7 | 82% | 0.815 | 69% | 0.689 | S | S | * | * | trans | -154.8 | 119.7 | 140.5 | -97 | 177.9 | -176.8 | -136.6 | 2 | 112.2 | D1804 | R1802-D1804 VanDerWaalsContact C-N 3.27Å; R1802-D1804 WeakPolarHBondContact CD-OD2 3.41Å; R1802-D1804 IonicContact CZ-OD2 2.68Å; R1802-D1804 IonicContact NE-OD2 3.64Å; R1802-D1804 IonicContact NH1-OD2 2.72Å; R1802-D1804 PolarHBondContact NH1-OD2 3.46Å; R1802-D1804 PolarHBondContact O-N 3.2Å | ||
| 1803 | N | 22.2 | Very low | 23.5 | Very low | 147.6 Ų | 147.6 | 126 Ų | 126 | 79% | 0.789 | 68% | 0.678 | S | S | * | * | trans | -62.4 | 77.5 | 165.4 | -75.9 | -5.8 | 0 | 0 | 0 | 113.3 | V1805 | N1803-V1805 PolarHBondContact O-N 2.95Š| ||
| 1804 | D | 23.4 | Very low | 23.7 | Very low | 120 Ų | 120 | 124 Ų | 124 | 64% | 0.642 | 67% | 0.665 | S | S | * | * | trans | -126.5 | 86.8 | 167 | -88.9 | -46.8 | 0 | 0 | 0 | 111.6 | R1802 S1806 | R1802-D1804 VanDerWaalsContact C-N 3.27Å; R1802-D1804 WeakPolarHBondContact CD-OD2 3.41Å; R1802-D1804 IonicContact CZ-OD2 2.68Å; R1802-D1804 IonicContact NE-OD2 3.64Å; R1802-D1804 IonicContact NH1-OD2 2.72Å; R1802-D1804 PolarHBondContact NH1-OD2 3.46Å; R1802-D1804 PolarHBondContact O-N 3.2Å; D1804-S1806 VanDerWaalsContact C-N 3.28Å; D1804-S1806 PolarHBondContact O-N 3.2Å | ||
| 1805 | V | 22.2 | Very low | 23.9 | Very low | 132.8 Ų | 132.8 | 122.4 Ų | 122.4 | 81% | 0.805 | 64% | 0.642 | S | S | * | * | trans | -86.2 | 73.3 | 172 | -176.7 | 0 | 0 | 0 | 0 | 113 | N1803 | N1803-V1805 PolarHBondContact O-N 2.95Š| ||
| 1806 | S | 23 | Very low | 24.2 | Very low | 85.4 Ų | 85.4 | 119 Ų | 119 | 60% | 0.597 | 63% | 0.625 | S | S | * | * | trans | -155 | 34.2 | -176.2 | 42.7 | 0 | 0 | 0 | 0 | 116.3 | D1804 S1808 | D1804-S1806 VanDerWaalsContact C-N 3.28Å; D1804-S1806 PolarHBondContact O-N 3.2Å; S1806-S1808 PolarHBondContact O-N 2.86Å | ||
| 1807 | F | 22.7 | Very low | 24.6 | Very low | 175.8 Ų | 175.8 | 116.2 Ų | 116.2 | 77% | 0.771 | 61% | 0.612 | S | S | * | * | trans | -94.5 | 30 | 165.4 | -80.2 | -80.6 | 0 | 0 | 0 | 115.3 | S1809 | F1807-S1809 VanDerWaalsContact C-N 3.32Å; F1807-S1809 PolarHBondContact O-N 3.13Å | ||
| 1808 | S | 23.4 | Very low | 25 | Very low | 91.8 Ų | 91.8 | 112.9 Ų | 112.9 | 64% | 0.642 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | 28.4 | -175.7 | 50.6 | 0 | 0 | 0 | 0 | 114.4 | S1806 I1812 | S1806-S1808 PolarHBondContact O-N 2.86Å; S1808-I1812 WeakPolarHBondContact O-CD1 3.48Å |
| 1809 | S | 24.3 | Very low | 25.4 | Very low | 73.6 Ų | 73.6 | 112.4 Ų | 112.4 | 52% | 0.515 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.8 | -7.8 | 178.4 | 49.6 | 0 | 0 | 0 | 0 | 115.4 | F1807 P1811 I1812 M1813 | F1807-S1809 VanDerWaalsContact C-N 3.32Å; F1807-S1809 PolarHBondContact O-N 3.13Å; S1809-P1811 VanDerWaalsContact C-CD 3.49Å; S1809-I1812 PolarHBondContact O-N 3.31Å; S1809-I1812 VanDerWaalsContact O-N 3.08Å; S1809-M1813 VanDerWaalsContact O-CB 3.23Å; S1809-M1813 WeakPolarHBondContact O-CB 3.48Å; S1809-M1813 VanDerWaalsContact O-CG 3.23Å; S1809-M1813 WeakPolarHBondContact O-CG 3.24Å; S1809-M1813 PolarHBondContact O-N 3.32Å |
| 1810 | R | 23.3 | Very low | 25.8 | Very low | 166 Ų | 166 | 109.4 Ų | 109.4 | 63% | 0.626 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -53.5 | -46 | -179.2 | -95.9 | -176.8 | 173.1 | -171.3 | -1 | 114.6 | N1714 T1717 Y1722 I1812 F1814 | N1714-R1810 PolarHBondContact O-NH2 3.22Å; T1717-R1810 PolarHBondContact O-NH1 3.34Å; Y1722-R1810 HydrophobicContact CD2-CG 4.35Å; Y1722-R1810 HydrophobicContact CE1-CB 4.31Å; Y1722-R1810 VanDerWaalsContact CE1-O 3.3Å; Y1722-R1810 WeakPolarHBondContact CE1-O 3.41Å; Y1722-R1810 HydrophobicContact CE2-CB 3.87Å; Y1722-R1810 HydrophobicContact CE2-CG 3.46Å; Y1722-R1810 VanDerWaalsContact CE2-CG 3.46Å; Y1722-R1810 WeakPolarHBondContact OH-CB 3.48Å; R1810-I1812 VanDerWaalsContact C-N 3.34Å; R1810-I1812 PolarHBondContact O-N 3.23Å; R1810-F1814 WeakPolarHBondContact O-CB 3.48Å; R1810-F1814 PolarHBondContact O-N 3Å |
| 1811 | P | 25.2 | Very low | 26.3 | Very low | 66.2 Ų | 66.2 | 102.2 Ų | 102.2 | 43% | 0.43 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -75.5 | -37.6 | -170.6 | -10 | 21.3 | 0 | 0 | 0 | 114 | L1788 S1809 M1813 F1814 M1815 | L1788-P1811 HydrophobicContact CD2-CB 3.89Å; L1788-P1811 HydrophobicContact CD2-CG 3.77Å; L1788-P1811 HydrophobicContact CG-CB 4.28Å; L1788-P1811 HydrophobicContact CG-CG 4.44Å; S1809-P1811 VanDerWaalsContact C-CD 3.49Å; P1811-M1813 PolarHBondContact O-N 3.17Å; P1811-F1814 PolarHBondContact O-N 3.02Å; P1811-M1815 WeakPolarHBondContact O-CB 3.37Å; P1811-M1815 VanDerWaalsContact O-CG 3.26Å; P1811-M1815 WeakPolarHBondContact O-CG 3.38Å; P1811-M1815 PolarHBondContact O-N 3.27Å; P1811-M1815 VanDerWaalsContact O-N 3.15Å |
| 1812 | I | 26.4 | Very low | 26.6 | Very low | 93.6 Ų | 93.6 | 100.5 Ų | 100.5 | 48% | 0.48 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -80.6 | -44.5 | -176.8 | -62 | 176.2 | 0 | 0 | 0 | 111.8 | Y1722 S1808 S1809 R1810 F1814 M1815 Q1816 | Y1722-I1812 HydrophobicContact CD1-CD1 4.09Å; Y1722-I1812 HydrophobicContact CD1-CG1 3.91Å; Y1722-I1812 HydrophobicContact CG-CG1 4.19Å; S1808-I1812 WeakPolarHBondContact O-CD1 3.48Å; S1809-I1812 PolarHBondContact O-N 3.31Å; S1809-I1812 VanDerWaalsContact O-N 3.08Å; R1810-I1812 VanDerWaalsContact C-N 3.34Å; R1810-I1812 PolarHBondContact O-N 3.23Å; I1812-F1814 VanDerWaalsContact C-N 3.32Å; I1812-F1814 PolarHBondContact O-N 3.26Å; I1812-F1814 VanDerWaalsContact O-N 3.09Å; I1812-M1815 PolarHBondContact O-N 3.02Å; I1812-Q1816 VanDerWaalsContact CG2-CD 3.45Å; I1812-Q1816 HydrophobicContact CG2-CG 4.21Å; I1812-Q1816 WeakPolarHBondContact O-CB 3.38Å; I1812-Q1816 VanDerWaalsContact O-CG 3.24Å; I1812-Q1816 WeakPolarHBondContact O-CG 3.29Å; I1812-Q1816 PolarHBondContact O-N 3.16Å |
| 1813 | M | 26 | Very low | 27 | Very low | 80.4 Ų | 80.4 | 93.5 Ų | 93.5 | 40% | 0.396 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | -179.4 | -76.8 | -84.8 | -59.8 | 0 | 0 | 112.9 | D1667 L1668 S1809 P1811 M1815 Q1816 T1817 F1853 M1859 | D1667-M1813 HydrophobicContact CB-SD 3.6Å; D1667-M1813 VanDerWaalsContact CB-SD 3.6Å; L1668-M1813 HydrophobicContact CD2-CE 3.61Å; L1668-M1813 HydrophobicContact CG-CE 3.92Å; L1668-M1813 HydrophobicContact CG-SD 4.24Å; S1809-M1813 VanDerWaalsContact O-CB 3.23Å; S1809-M1813 WeakPolarHBondContact O-CB 3.48Å; S1809-M1813 VanDerWaalsContact O-CG 3.23Å; S1809-M1813 WeakPolarHBondContact O-CG 3.24Å; S1809-M1813 PolarHBondContact O-N 3.32Å; P1811-M1813 PolarHBondContact O-N 3.17Å; M1813-M1815 PolarHBondContact O-N 2.75Å; M1813-Q1816 PolarHBondContact O-N 3.1Å; M1813-T1817 VanDerWaalsContact O-CB 3.26Å; M1813-T1817 WeakPolarHBondContact O-CB 3.3Å; M1813-T1817 PolarHBondContact O-N 3.17Å; M1813-T1817 VanDerWaalsContact O-N 3.14Å; M1813-T1817 PolarHBondContact O-OG1 3.39Å; M1813-T1817 VanDerWaalsContact O-OG1 3.13Å; M1813-F1853 HydrophobicContact SD-CD1 4.39Å; M1813-F1853 HydrophobicContact SD-CE1 4.09Å; M1813-M1859 HydrophobicContact CE-CE 3.6Å; M1813-M1859 HydrophobicContact CE-SD 4.08Å; M1813-M1859 HydrophobicContact CG-CE 3.97Å; M1813-M1859 HydrophobicContact SD-CE 3.56Å; M1813-M1859 VanDerWaalsContact SD-CE 3.56Å |
| 1814 | F | 29.3 | Very low | 27.4 | Very low | 91.6 Ų | 91.6 | 89.5 Ų | 89.5 | 40% | 0.402 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.2 | -48.6 | 178.6 | -177.5 | -105 | 0 | 0 | 0 | 111.6 | L1769 E1772 L1773 M1778 L1784 L1788 R1810 P1811 I1812 Q1816 T1817 V1818 Y1922 I1926 I1958 | L1769-F1814 HydrophobicContact CD2-CE1 4.33Å; E1772-F1814 HydrophobicContact CB-CE1 4.16Å; E1772-F1814 HydrophobicContact CB-CE2 3.97Å; E1772-F1814 HydrophobicContact CB-CZ 3.35Å; L1773-F1814 HydrophobicContact CD2-CE1 4.38Å; L1773-F1814 HydrophobicContact CG-CE1 4.37Å; L1773-F1814 HydrophobicContact CG-CZ 4.42Å; M1778-F1814 HydrophobicContact CE-CD2 4.23Å; M1778-F1814 HydrophobicContact CE-CE2 4.44Å; M1778-F1814 HydrophobicContact CE-CG 4.4Å; M1778-F1814 HydrophobicContact CG-CD2 3.87Å; M1778-F1814 HydrophobicContact CG-CE1 4.15Å; M1778-F1814 HydrophobicContact CG-CE2 3.14Å; M1778-F1814 HydrophobicContact CG-CZ 3.29Å; M1778-F1814 HydrophobicContact SD-CD1 3.9Å; M1778-F1814 HydrophobicContact SD-CD2 3.78Å; M1778-F1814 HydrophobicContact SD-CE1 3.61Å; M1778-F1814 HydrophobicContact SD-CE2 3.52Å; M1778-F1814 VanDerWaalsContact SD-CE2 3.52Å; M1778-F1814 HydrophobicContact SD-CG 3.96Å; M1778-F1814 HydrophobicContact SD-CZ 3.39Å; M1778-F1814 WeakPolarHBondContact SD-CZ 3.03Å; L1784-F1814 HydrophobicContact CD2-CB 3.79Å; L1788-F1814 HydrophobicContact CD1-CB 4.37Å; L1788-F1814 HydrophobicContact CD1-CD1 3.59Å; L1788-F1814 HydrophobicContact CD1-CE1 4.18Å; L1788-F1814 HydrophobicContact CD1-CG 4.22Å; L1788-F1814 HydrophobicContact CD2-CD1 4.28Å; R1810-F1814 WeakPolarHBondContact O-CB 3.48Å; R1810-F1814 PolarHBondContact O-N 3Å; P1811-F1814 PolarHBondContact O-N 3.02Å; I1812-F1814 VanDerWaalsContact C-N 3.32Å; I1812-F1814 PolarHBondContact O-N 3.26Å; I1812-F1814 VanDerWaalsContact O-N 3.09Å; F1814-Q1816 VanDerWaalsContact C-N 3.26Å; F1814-Q1816 PolarHBondContact O-N 3.22Å; F1814-T1817 WeakPolarHBondContact O-CA 3.35Å; F1814-T1817 VanDerWaalsContact O-CB 3.23Å; F1814-T1817 WeakPolarHBondContact O-CB 3.31Å; F1814-T1817 PolarHBondContact O-N 3.28Å; F1814-T1817 VanDerWaalsContact O-N 3.13Å; F1814-V1818 HydrophobicContact CD1-CG2 4.12Å; F1814-V1818 HydrophobicContact CD2-CG2 4.41Å; F1814-V1818 HydrophobicContact CE1-CG2 3.74Å; F1814-V1818 HydrophobicContact CE2-CG2 4.16Å; F1814-V1818 HydrophobicContact CG-CG2 4.4Å; F1814-V1818 HydrophobicContact CZ-CG2 3.79Å; F1814-V1818 WeakPolarHBondContact O-CG2 3.4Å; F1814-V1818 PolarHBondContact O-N 3.12Å; F1814-Y1922 HydrophobicContact CE2-CE2 4.35Å; F1814-I1926 HydrophobicContact CZ-CG1 4.37Å; F1814-I1958 HydrophobicContact CD1-CD1 4.4Å; F1814-I1958 HydrophobicContact CD1-CG1 4.45Å; F1814-I1958 HydrophobicContact CE1-CD1 3.82Å; F1814-I1958 HydrophobicContact CE1-CG1 3.51Å; F1814-I1958 HydrophobicContact CZ-CD1 4.2Å; F1814-I1958 HydrophobicContact CZ-CG1 3.91Å |
| 1815 | M | 27.4 | Very low | 27.8 | Very low | 56.2 Ų | 56.2 | 88.8 Ų | 88.8 | 28% | 0.277 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 175.2 | -74.6 | -89.7 | -100.5 | 0 | 0 | 112.1 | L1724 F1765 L1769 Y1780 F1789 P1811 I1812 M1813 T1817 V1818 I1819 L1957 N2072 F2085 | L1724-M1815 HydrophobicContact CD1-CE 3.44Å; L1724-M1815 VanDerWaalsContact CD1-CE 3.44Å; L1724-M1815 HydrophobicContact CD2-CB 4.5Å; L1724-M1815 HydrophobicContact CD2-CE 3.72Å; L1724-M1815 HydrophobicContact CG-CE 4.22Å; F1765-M1815 HydrophobicContact CE2-CE 3.94Å; F1765-M1815 HydrophobicContact CE2-SD 3.85Å; F1765-M1815 HydrophobicContact CZ-CE 3.91Å; F1765-M1815 HydrophobicContact CZ-SD 3.99Å; L1769-M1815 HydrophobicContact CD2-CG 4.28Å; L1769-M1815 HydrophobicContact CD2-SD 3.89Å; Y1780-M1815 HydrophobicContact CD1-CE 3.77Å; Y1780-M1815 HydrophobicContact CD1-SD 4.04Å; Y1780-M1815 HydrophobicContact CE1-CE 4.14Å; Y1780-M1815 HydrophobicContact CE1-SD 3.79Å; F1789-M1815 HydrophobicContact CD1-CE 3.92Å; F1789-M1815 HydrophobicContact CE1-CE 3.42Å; F1789-M1815 VanDerWaalsContact CE1-CE 3.42Å; F1789-M1815 HydrophobicContact CE1-SD 3.73Å; F1789-M1815 HydrophobicContact CZ-CE 3.81Å; F1789-M1815 HydrophobicContact CZ-SD 3.95Å; P1811-M1815 WeakPolarHBondContact O-CB 3.37Å; P1811-M1815 VanDerWaalsContact O-CG 3.26Å; P1811-M1815 WeakPolarHBondContact O-CG 3.38Å; P1811-M1815 PolarHBondContact O-N 3.27Å; P1811-M1815 VanDerWaalsContact O-N 3.15Å; I1812-M1815 PolarHBondContact O-N 3.02Å; M1813-M1815 PolarHBondContact O-N 2.75Å; M1815-T1817 VanDerWaalsContact C-N 3.31Å; M1815-T1817 PolarHBondContact O-N 3.09Å; M1815-V1818 PolarHBondContact O-N 3.19Å; M1815-I1819 VanDerWaalsContact O-CB 3.26Å; M1815-I1819 WeakPolarHBondContact O-CB 3.32Å; M1815-I1819 WeakPolarHBondContact O-CD1 3.38Å; M1815-I1819 VanDerWaalsContact O-CG1 3.24Å; M1815-I1819 WeakPolarHBondContact O-CG1 3.38Å; M1815-I1819 PolarHBondContact O-N 3.13Å; M1815-L1957 HydrophobicContact CE-CD1 3.55Å; M1815-L1957 HydrophobicContact SD-CD1 3.85Å; M1815-N2072 HydrophobicContact CE-CB 3.54Å; M1815-F2085 HydrophobicContact CE-CZ 4.41Å |
| 1816 | Q | 29 | Very low | 28.1 | Very low | 90 Ų | 90 | 86.4 Ų | 86.4 | 42% | 0.421 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65 | -36 | 175 | -74.9 | -179.8 | -26 | 0 | 0 | 112.4 | K1664 I1812 M1813 F1814 I1819 S1820 L1850 | K1664-Q1816 WeakPolarHBondContact CE-O 3.32Å; I1812-Q1816 VanDerWaalsContact CG2-CD 3.45Å; I1812-Q1816 HydrophobicContact CG2-CG 4.21Å; I1812-Q1816 WeakPolarHBondContact O-CB 3.38Å; I1812-Q1816 VanDerWaalsContact O-CG 3.24Å; I1812-Q1816 WeakPolarHBondContact O-CG 3.29Å; I1812-Q1816 PolarHBondContact O-N 3.16Å; M1813-Q1816 PolarHBondContact O-N 3.1Å; F1814-Q1816 VanDerWaalsContact C-N 3.26Å; F1814-Q1816 PolarHBondContact O-N 3.22Å; Q1816-I1819 PolarHBondContact O-N 3.2Å; Q1816-S1820 WeakPolarHBondContact O-CB 3.36Å; Q1816-S1820 PolarHBondContact O-N 3.2Å; Q1816-S1820 VanDerWaalsContact O-N 3.07Å; Q1816-S1820 PolarHBondContact O-OG 2.98Å; Q1816-L1850 HydrophobicContact CB-CD1 4.4Å |
| 1817 | T | 31.3 | Very low | 28.5 | Very low | 62 Ų | 62 | 86.3 Ų | 86.3 | 38% | 0.38 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.8 | -45.8 | 178.5 | -57 | 0 | 0 | 0 | 0 | 111.5 | K1664 M1813 F1814 M1815 S1820 L1821 | K1664-T1817 HydrophobicContact CD-CG2 4.31Å; K1664-T1817 PolarHBondContact NZ-O 3.14Å; M1813-T1817 VanDerWaalsContact O-CB 3.26Å; M1813-T1817 WeakPolarHBondContact O-CB 3.3Å; M1813-T1817 PolarHBondContact O-N 3.17Å; M1813-T1817 VanDerWaalsContact O-N 3.14Å; M1813-T1817 PolarHBondContact O-OG1 3.39Å; M1813-T1817 VanDerWaalsContact O-OG1 3.13Å; F1814-T1817 WeakPolarHBondContact O-CA 3.35Å; F1814-T1817 VanDerWaalsContact O-CB 3.23Å; F1814-T1817 WeakPolarHBondContact O-CB 3.31Å; F1814-T1817 PolarHBondContact O-N 3.28Å; F1814-T1817 VanDerWaalsContact O-N 3.13Å; M1815-T1817 VanDerWaalsContact C-N 3.31Å; M1815-T1817 PolarHBondContact O-N 3.09Å; T1817-S1820 PolarHBondContact O-N 3.1Å; T1817-L1821 HydrophobicContact CG2-CD1 4.07Å; T1817-L1821 HydrophobicContact CG2-CG 4.41Å; T1817-L1821 VanDerWaalsContact O-CB 3.25Å; T1817-L1821 WeakPolarHBondContact O-CB 3.32Å; T1817-L1821 WeakPolarHBondContact O-CD1 3.3Å; T1817-L1821 WeakPolarHBondContact O-CG 3.35Å; T1817-L1821 PolarHBondContact O-N 3.17Å; T1817-L1821 VanDerWaalsContact O-N 3.13Å |
| 1818 | V | 30.7 | Very low | 28.9 | Very low | 50 Ų | 50 | 81.8 Ų | 81.8 | 30% | 0.303 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.7 | -45.7 | 178.1 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | E1772 F1814 M1815 S1820 L1821 Y1822 Y1922 | E1772-V1818 HydrophobicContact CB-CG2 4.21Å; E1772-V1818 VanDerWaalsContact CD-CB 3.46Å; E1772-V1818 HydrophobicContact CG-CB 4.06Å; E1772-V1818 HydrophobicContact CG-CG1 3.91Å; E1772-V1818 HydrophobicContact CG-CG2 3.78Å; E1772-V1818 WeakPolarHBondContact OE1-CB 3.42Å; E1772-V1818 WeakPolarHBondContact OE1-CG1 3.45Å; F1814-V1818 HydrophobicContact CD1-CG2 4.12Å; F1814-V1818 HydrophobicContact CD2-CG2 4.41Å; F1814-V1818 HydrophobicContact CE1-CG2 3.74Å; F1814-V1818 HydrophobicContact CE2-CG2 4.16Å; F1814-V1818 HydrophobicContact CG-CG2 4.4Å; F1814-V1818 HydrophobicContact CZ-CG2 3.79Å; F1814-V1818 WeakPolarHBondContact O-CG2 3.4Å; F1814-V1818 PolarHBondContact O-N 3.12Å; M1815-V1818 PolarHBondContact O-N 3.19Å; V1818-S1820 VanDerWaalsContact C-N 3.3Å; V1818-S1820 PolarHBondContact O-N 3.24Å; V1818-L1821 PolarHBondContact O-N 3.36Å; V1818-L1821 VanDerWaalsContact O-N 3.13Å; V1818-Y1822 VanDerWaalsContact O-CB 3.27Å; V1818-Y1822 WeakPolarHBondContact O-CB 3.38Å; V1818-Y1822 PolarHBondContact O-N 3.08Å; V1818-Y1922 WeakPolarHBondContact CG2-OH 3.46Å |
| 1819 | I | 31.2 | Very low | 29.2 | Very low | 74.2 Ų | 74.2 | 81.4 Ų | 81.4 | 38% | 0.381 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.2 | -40.4 | 177 | -69.3 | 168 | 0 | 0 | 0 | 110.9 | M1815 Q1816 L1821 Y1822 I1823 | M1815-I1819 VanDerWaalsContact O-CB 3.26Å; M1815-I1819 WeakPolarHBondContact O-CB 3.32Å; M1815-I1819 WeakPolarHBondContact O-CD1 3.38Å; M1815-I1819 VanDerWaalsContact O-CG1 3.24Å; M1815-I1819 WeakPolarHBondContact O-CG1 3.38Å; M1815-I1819 PolarHBondContact O-N 3.13Å; Q1816-I1819 PolarHBondContact O-N 3.2Å; I1819-L1821 VanDerWaalsContact C-N 3.33Å; I1819-L1821 PolarHBondContact O-N 2.97Å; I1819-Y1822 WeakPolarHBondContact O-CB 3.32Å; I1819-Y1822 PolarHBondContact O-N 3Å; I1819-I1823 HydrophobicContact CG2-CD1 3.74Å; I1819-I1823 HydrophobicContact CG2-CG1 4.33Å; I1819-I1823 VanDerWaalsContact O-CB 3.27Å; I1819-I1823 WeakPolarHBondContact O-CB 3.35Å; I1819-I1823 WeakPolarHBondContact O-CD1 3.35Å; I1819-I1823 VanDerWaalsContact O-CG1 3.27Å; I1819-I1823 WeakPolarHBondContact O-CG1 3.42Å; I1819-I1823 PolarHBondContact O-N 3.29Å |
| 1820 | S | 32.1 | Very low | 29.4 | Very low | 41 Ų | 41 | 82.7 Ų | 82.7 | 29% | 0.287 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -73.5 | -28 | 177.2 | -46.1 | 0 | 0 | 0 | 0 | 112.6 | A1657 C1660 K1664 Q1816 T1817 V1818 Y1822 I1823 L1824 F1847 | A1657-S1820 WeakPolarHBondContact CB-O 3.35Å; C1660-S1820 VanDerWaalsContact SG-CB 3.51Å; C1660-S1820 PolarHBondContact SG-OG 3.17Å; K1664-S1820 WeakPolarHBondContact CE-OG 3.48Å; K1664-S1820 PolarHBondContact NZ-O 3.31Å; K1664-S1820 PolarHBondContact NZ-OG 3.09Å; Q1816-S1820 WeakPolarHBondContact O-CB 3.36Å; Q1816-S1820 PolarHBondContact O-N 3.2Å; Q1816-S1820 VanDerWaalsContact O-N 3.07Å; Q1816-S1820 PolarHBondContact O-OG 2.98Å; T1817-S1820 PolarHBondContact O-N 3.1Å; V1818-S1820 VanDerWaalsContact C-N 3.3Å; V1818-S1820 PolarHBondContact O-N 3.24Å; S1820-Y1822 VanDerWaalsContact C-N 3.26Å; S1820-Y1822 PolarHBondContact O-N 3.33Å; S1820-I1823 PolarHBondContact O-N 3.25Å; S1820-L1824 WeakPolarHBondContact O-CB 3.39Å; S1820-L1824 WeakPolarHBondContact O-CD1 3.39Å; S1820-L1824 VanDerWaalsContact O-CG 3.31Å; S1820-L1824 WeakPolarHBondContact O-CG 3.48Å; S1820-L1824 PolarHBondContact O-N 3.31Å; S1820-L1824 VanDerWaalsContact O-N 3.15Å; S1820-F1847 WeakPolarHBondContact OG-CE1 3.4Å; S1820-F1847 VanDerWaalsContact OG-CZ 3.32Å; S1820-F1847 WeakPolarHBondContact OG-CZ 3.42Å |
| 1821 | L | 32.1 | Very low | 29.8 | Very low | 84 Ų | 84 | 79.7 Ų | 79.7 | 44% | 0.44 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -73.4 | -40 | 168.9 | -75.6 | 166.3 | 0 | 0 | 0 | 111.3 | I1661 T1817 V1818 I1819 I1823 L1824 D1825 | I1661-L1821 HydrophobicContact CD1-CD2 3.7Å; I1661-L1821 HydrophobicContact CG1-CD2 4.04Å; I1661-L1821 HydrophobicContact CG1-CG 4.49Å; T1817-L1821 HydrophobicContact CG2-CD1 4.07Å; T1817-L1821 HydrophobicContact CG2-CG 4.41Å; T1817-L1821 VanDerWaalsContact O-CB 3.25Å; T1817-L1821 WeakPolarHBondContact O-CB 3.32Å; T1817-L1821 WeakPolarHBondContact O-CD1 3.3Å; T1817-L1821 WeakPolarHBondContact O-CG 3.35Å; T1817-L1821 PolarHBondContact O-N 3.17Å; T1817-L1821 VanDerWaalsContact O-N 3.13Å; V1818-L1821 PolarHBondContact O-N 3.36Å; V1818-L1821 VanDerWaalsContact O-N 3.13Å; I1819-L1821 VanDerWaalsContact C-N 3.33Å; I1819-L1821 PolarHBondContact O-N 2.97Å; L1821-I1823 PolarHBondContact O-N 3.08Å; L1821-I1823 VanDerWaalsContact O-N 3.14Å; L1821-L1824 CarbonylContact O-C 3.54Å; L1821-L1824 WeakPolarHBondContact O-CA 3.23Å; L1821-L1824 VanDerWaalsContact O-CB 3.23Å; L1821-L1824 WeakPolarHBondContact O-CB 3.38Å; L1821-L1824 PolarHBondContact O-N 3.24Å; L1821-D1825 WeakPolarHBondContact O-CB 3.39Å; L1821-D1825 PolarHBondContact O-N 3.23Å |
| 1822 | Y | 30 | Very low | 30.1 | Very low | 113 Ų | 113 | 82.2 Ų | 82.2 | 44% | 0.443 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.2 | -35.8 | 178.1 | -151.5 | -88.9 | 0 | 0 | 0 | 112.6 | M1778 V1818 I1819 S1820 L1824 D1825 L1826 L2079 L2080 S2083 | M1778-Y1822 HydrophobicContact CB-CE1 4.22Å; M1778-Y1822 HydrophobicContact CB-CE2 4.39Å; M1778-Y1822 WeakPolarHBondContact CB-OH 3.46Å; M1778-Y1822 HydrophobicContact CE-CD1 3.6Å; M1778-Y1822 HydrophobicContact CE-CD2 4.18Å; M1778-Y1822 HydrophobicContact CE-CE1 3.62Å; M1778-Y1822 HydrophobicContact CE-CE2 4.21Å; M1778-Y1822 HydrophobicContact CE-CG 3.9Å; M1778-Y1822 HydrophobicContact SD-CD2 4.27Å; M1778-Y1822 HydrophobicContact SD-CE1 4.43Å; M1778-Y1822 HydrophobicContact SD-CE2 4.05Å; V1818-Y1822 VanDerWaalsContact O-CB 3.27Å; V1818-Y1822 WeakPolarHBondContact O-CB 3.38Å; V1818-Y1822 PolarHBondContact O-N 3.08Å; I1819-Y1822 WeakPolarHBondContact O-CB 3.32Å; I1819-Y1822 PolarHBondContact O-N 3Å; S1820-Y1822 VanDerWaalsContact C-N 3.26Å; S1820-Y1822 PolarHBondContact O-N 3.33Å; Y1822-L1824 VanDerWaalsContact C-N 3.31Å; Y1822-L1824 PolarHBondContact O-N 3.25Å; Y1822-D1825 WeakPolarHBondContact O-CB 3.25Å; Y1822-D1825 PolarHBondContact O-N 3.07Å; Y1822-L1826 HydrophobicContact CD1-CD1 4.11Å; Y1822-L1826 HydrophobicContact CE1-CD1 3.79Å; Y1822-L1826 WeakPolarHBondContact O-CB 3.39Å; Y1822-L1826 PolarHBondContact O-N 3.19Å; Y1822-L2079 HydrophobicContact CD1-CB 3.86Å; Y1822-L2079 HydrophobicContact CD1-CD1 4.43Å; Y1822-L2079 HydrophobicContact CE1-CB 3.66Å; Y1822-L2079 WeakPolarHBondContact CE1-O 2.91Å; Y1822-L2079 PolarHBondContact OH-O 3.18Å; Y1822-L2079 VanDerWaalsContact OH-O 3.09Å; Y1822-L2080 HydrophobicContact CE2-CD2 3.87Å; Y1822-L2080 WeakPolarHBondContact OH-CA 3.18Å; Y1822-S2083 WeakPolarHBondContact OH-CB 3.45Å; Y1822-S2083 PolarHBondContact OH-OG 2.94Å |
| 1823 | I | 31.1 | Very low | 30.5 | Very low | 69 Ų | 69 | 81.3 Ų | 81.3 | 35% | 0.354 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.4 | -32.2 | 172.3 | -71.4 | 169.5 | 0 | 0 | 0 | 111.1 | Q1655 A1657 I1819 S1820 L1821 L1826 F1827 Y1839 I1843 | Q1655-I1823 VanDerWaalsContact O-CG2 3.25Å; Q1655-I1823 WeakPolarHBondContact O-CG2 3.39Å; A1657-I1823 HydrophobicContact CB-CB 4.03Å; A1657-I1823 HydrophobicContact CB-CG2 4.22Å; I1819-I1823 HydrophobicContact CG2-CD1 3.74Å; I1819-I1823 HydrophobicContact CG2-CG1 4.33Å; I1819-I1823 VanDerWaalsContact O-CB 3.27Å; I1819-I1823 WeakPolarHBondContact O-CB 3.35Å; I1819-I1823 WeakPolarHBondContact O-CD1 3.35Å; I1819-I1823 VanDerWaalsContact O-CG1 3.27Å; I1819-I1823 WeakPolarHBondContact O-CG1 3.42Å; I1819-I1823 PolarHBondContact O-N 3.29Å; S1820-I1823 PolarHBondContact O-N 3.25Å; L1821-I1823 PolarHBondContact O-N 3.08Å; L1821-I1823 VanDerWaalsContact O-N 3.14Å; I1823-L1826 PolarHBondContact O-N 3.02Å; I1823-F1827 HydrophobicContact CG2-CD2 3.72Å; I1823-F1827 HydrophobicContact CG2-CE2 3.62Å; I1823-F1827 VanDerWaalsContact CG2-CE2 3.46Å; I1823-F1827 VanDerWaalsContact O-CB 3.3Å; I1823-F1827 WeakPolarHBondContact O-CB 3.43Å; I1823-F1827 VanDerWaalsContact O-CD2 3.25Å; I1823-F1827 WeakPolarHBondContact O-CD2 3.3Å; I1823-F1827 WeakPolarHBondContact O-CG 3.28Å; I1823-F1827 PolarHBondContact O-N 3.12Å; I1823-Y1839 HydrophobicContact CG2-CE1 4.21Å; I1823-I1843 HydrophobicContact CG2-CD1 3.42Å; I1823-I1843 VanDerWaalsContact CG2-CD1 3.42Å; I1823-I1843 HydrophobicContact CG2-CG1 4.09Å |
| 1824 | L | 31.8 | Very low | 30.7 | Very low | 63.2 Ų | 63.2 | 81.6 Ų | 81.6 | 33% | 0.331 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.5 | -43.8 | 176.4 | -106.2 | 141.5 | 0 | 0 | 0 | 112 | A1657 I1661 S1820 L1821 Y1822 L1826 F1827 C1828 I1909 V1913 | A1657-L1824 HydrophobicContact CB-CB 3.47Å; A1657-L1824 VanDerWaalsContact CB-CB 3.47Å; A1657-L1824 HydrophobicContact CB-CD1 4.06Å; A1657-L1824 HydrophobicContact CB-CG 3.63Å; I1661-L1824 HydrophobicContact CD1-CD1 3.53Å; S1820-L1824 WeakPolarHBondContact O-CB 3.39Å; S1820-L1824 WeakPolarHBondContact O-CD1 3.39Å; S1820-L1824 VanDerWaalsContact O-CG 3.31Å; S1820-L1824 WeakPolarHBondContact O-CG 3.48Å; S1820-L1824 PolarHBondContact O-N 3.31Å; S1820-L1824 VanDerWaalsContact O-N 3.15Å; L1821-L1824 CarbonylContact O-C 3.54Å; L1821-L1824 WeakPolarHBondContact O-CA 3.23Å; L1821-L1824 VanDerWaalsContact O-CB 3.23Å; L1821-L1824 WeakPolarHBondContact O-CB 3.38Å; L1821-L1824 PolarHBondContact O-N 3.24Å; Y1822-L1824 VanDerWaalsContact C-N 3.31Å; Y1822-L1824 PolarHBondContact O-N 3.25Å; L1824-L1826 VanDerWaalsContact C-N 3.33Å; L1824-L1826 PolarHBondContact O-N 2.77Å; L1824-L1826 VanDerWaalsContact O-N 3.16Å; L1824-F1827 PolarHBondContact O-N 3.14Å; L1824-C1828 WeakPolarHBondContact O-CB 3.21Å; L1824-C1828 PolarHBondContact O-N 3.13Å; L1824-C1828 PolarHBondContact O-SG 3.24Å; L1824-C1828 VanDerWaalsContact O-SG 3.38Å; L1824-I1909 HydrophobicContact CD2-CG2 3.94Å; L1824-V1913 HydrophobicContact CB-CG2 4.04Å |
| 1825 | D | 31.3 | Very low | 30.9 | Very low | 104.2 Ų | 104.2 | 81.8 Ų | 81.8 | 56% | 0.557 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.6 | -35.6 | 177.1 | -119 | 12.9 | 0 | 0 | 0 | 111.6 | L1821 Y1822 F1827 C1828 S1829 K1917 | L1821-D1825 WeakPolarHBondContact O-CB 3.39Å; L1821-D1825 PolarHBondContact O-N 3.23Å; Y1822-D1825 WeakPolarHBondContact O-CB 3.25Å; Y1822-D1825 PolarHBondContact O-N 3.07Å; D1825-F1827 PolarHBondContact O-N 3.41Å; D1825-C1828 PolarHBondContact O-N 2.89Å; D1825-S1829 WeakPolarHBondContact O-CB 3.31Å; D1825-S1829 PolarHBondContact O-N 2.87Å; D1825-S1829 PolarHBondContact O-OG 3.25Å; D1825-K1917 IonicContact OD1-NZ 3.28Å; D1825-K1917 PolarHBondContact OD1-NZ 3.49Å; D1825-K1917 IonicContact OD2-NZ 3.77Å; D1825-K1917 PolarHBondContact OD2-NZ 3.43Å |
| 1826 | L | 29.5 | Very low | 31.2 | Very low | 83.4 Ų | 83.4 | 82.9 Ų | 82.9 | 44% | 0.437 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67 | -34.8 | 173 | -117.1 | 100.7 | 0 | 0 | 0 | 113 | Y1822 I1823 L1824 C1828 S1829 L1830 Y1839 L2079 | Y1822-L1826 HydrophobicContact CD1-CD1 4.11Å; Y1822-L1826 HydrophobicContact CE1-CD1 3.79Å; Y1822-L1826 WeakPolarHBondContact O-CB 3.39Å; Y1822-L1826 PolarHBondContact O-N 3.19Å; I1823-L1826 PolarHBondContact O-N 3.02Å; L1824-L1826 VanDerWaalsContact C-N 3.33Å; L1824-L1826 PolarHBondContact O-N 2.77Å; L1824-L1826 VanDerWaalsContact O-N 3.16Å; L1826-C1828 VanDerWaalsContact C-N 3.29Å; L1826-C1828 PolarHBondContact O-N 3.1Å; L1826-S1829 WeakPolarHBondContact CA-OG 3.41Å; L1826-S1829 PolarHBondContact O-N 3.06Å; L1826-S1829 PolarHBondContact O-OG 2.98Å; L1826-S1829 VanDerWaalsContact O-OG 3.04Å; L1826-L1830 PolarHBondContact O-N 2.94Å; L1826-Y1839 HydrophobicContact CB-CE1 4.43Å; L1826-L2079 HydrophobicContact CD1-CD2 4.23Å; L1826-L2079 HydrophobicContact CD2-CD2 3.9Å |
| 1827 | F | 30.1 | Very low | 31.4 | Very low | 83.4 Ų | 83.4 | 81.1 Ų | 81.1 | 37% | 0.366 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -77.5 | -24.8 | 178.4 | -100.5 | -80.1 | 0 | 0 | 0 | 112.9 | Q1655 I1823 L1824 D1825 S1829 L1830 E1833 K1836 L1837 Y1839 L1840 I1902 L1906 I1909 | Q1655-F1827 HydrophobicContact CB-CE2 4.19Å; Q1655-F1827 HydrophobicContact CB-CZ 4.31Å; Q1655-F1827 WeakPolarHBondContact O-CE2 3.49Å; I1823-F1827 HydrophobicContact CG2-CD2 3.72Å; I1823-F1827 HydrophobicContact CG2-CE2 3.62Å; I1823-F1827 VanDerWaalsContact CG2-CE2 3.46Å; I1823-F1827 VanDerWaalsContact O-CB 3.3Å; I1823-F1827 WeakPolarHBondContact O-CB 3.43Å; I1823-F1827 VanDerWaalsContact O-CD2 3.25Å; I1823-F1827 WeakPolarHBondContact O-CD2 3.3Å; I1823-F1827 WeakPolarHBondContact O-CG 3.28Å; I1823-F1827 PolarHBondContact O-N 3.12Å; L1824-F1827 PolarHBondContact O-N 3.14Å; D1825-F1827 PolarHBondContact O-N 3.41Å; F1827-S1829 VanDerWaalsContact C-N 3.29Å; F1827-S1829 PolarHBondContact O-N 3.14Å; F1827-L1830 PolarHBondContact O-N 3.46Å; F1827-E1833 HydrophobicContact CD1-CB 4.23Å; F1827-E1833 WeakPolarHBondContact CD1-OE2 3.49Å; F1827-E1833 VanDerWaalsContact CE1-OE2 3.25Å; F1827-E1833 WeakPolarHBondContact CE1-OE2 3.42Å; F1827-K1836 HydrophobicContact CD2-CB 4.28Å; F1827-K1836 HydrophobicContact CD2-CG 4.37Å; F1827-K1836 HydrophobicContact CE2-CB 3.62Å; F1827-K1836 HydrophobicContact CE2-CG 4.08Å; F1827-K1836 WeakPolarHBondContact CE2-O 3.26Å; F1827-K1836 HydrophobicContact CZ-CB 3.96Å; F1827-K1836 HydrophobicContact CZ-CD 4.43Å; F1827-K1836 HydrophobicContact CZ-CG 4.3Å; F1827-L1837 HydrophobicContact CB-CD1 4.12Å; F1827-L1837 HydrophobicContact CD1-CD2 4.28Å; F1827-L1837 HydrophobicContact CE1-CD1 4.24Å; F1827-L1837 HydrophobicContact CE1-CD2 4.23Å; F1827-Y1839 HydrophobicContact CB-CD1 4.39Å; F1827-Y1839 HydrophobicContact CD2-CD1 4.4Å; F1827-L1840 HydrophobicContact CD2-CG 4.31Å; F1827-L1840 HydrophobicContact CE2-CB 4.12Å; F1827-L1840 HydrophobicContact CE2-CD1 3.6Å; F1827-L1840 HydrophobicContact CE2-CG 3.53Å; F1827-L1840 HydrophobicContact CZ-CD1 3.53Å; F1827-L1840 HydrophobicContact CZ-CG 3.95Å; F1827-I1902 HydrophobicContact CZ-CG2 4.5Å; F1827-L1906 HydrophobicContact CD1-CD1 4.08Å; F1827-L1906 HydrophobicContact CE1-CD1 3.63Å; F1827-I1909 HydrophobicContact CE1-CD1 4.39Å |
| 1828 | C | 31.2 | Very low | 31.5 | Very low | 80.8 Ų | 80.8 | 82.6 Ų | 82.6 | 55% | 0.546 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -76.4 | -4.3 | 178.1 | -70.4 | 0 | 0 | 0 | 0 | 113.9 | L1824 D1825 L1826 L1837 Q1910 | L1824-C1828 WeakPolarHBondContact O-CB 3.21Å; L1824-C1828 PolarHBondContact O-N 3.13Å; L1824-C1828 PolarHBondContact O-SG 3.24Å; L1824-C1828 VanDerWaalsContact O-SG 3.38Å; D1825-C1828 PolarHBondContact O-N 2.89Å; L1826-C1828 VanDerWaalsContact C-N 3.29Å; L1826-C1828 PolarHBondContact O-N 3.1Å; C1828-L1837 VanDerWaalsContact SG-CD2 3.53Å; C1828-Q1910 HydrophobicContact CB-CG 3.95Å; C1828-Q1910 VanDerWaalsContact SG-CG 3.57Å |
| 1829 | S | 29.3 | Very low | 31.5 | Very low | 83.6 Ų | 83.6 | 85.4 Ų | 85.4 | 59% | 0.585 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | 6 | -174.9 | 32.6 | 0 | 0 | 0 | 0 | 115 | D1825 L1826 F1827 | D1825-S1829 WeakPolarHBondContact O-CB 3.31Å; D1825-S1829 PolarHBondContact O-N 2.87Å; D1825-S1829 PolarHBondContact O-OG 3.25Å; L1826-S1829 WeakPolarHBondContact CA-OG 3.41Å; L1826-S1829 PolarHBondContact O-N 3.06Å; L1826-S1829 PolarHBondContact O-OG 2.98Å; L1826-S1829 VanDerWaalsContact O-OG 3.04Å; F1827-S1829 VanDerWaalsContact C-N 3.29Å; F1827-S1829 PolarHBondContact O-N 3.14Å |
| 1830 | L | 30 | Very low | 31.6 | Very low | 101.8 Ų | 101.8 | 85.5 Ų | 85.5 | 53% | 0.533 | 45% | 0.448 | S | S | . | . | trans | -117.4 | 124.5 | 173.1 | -71.7 | 167.8 | 0 | 0 | 0 | 113 | L1826 F1827 D1832 E1833 I1834 D1835 K1836 Y1839 | L1826-L1830 PolarHBondContact O-N 2.94Å; F1827-L1830 PolarHBondContact O-N 3.46Å; L1830-D1832 PolarHBondContact O-N 3.08Å; L1830-E1833 HydrophobicContact CB-CB 4.19Å; L1830-E1833 HydrophobicContact CB-CG 4.47Å; L1830-E1833 PolarHBondContact O-N 3.03Å; L1830-I1834 PolarHBondContact O-N 2.86Å; L1830-I1834 VanDerWaalsContact O-N 3.16Å; L1830-D1835 HydrophobicContact CD1-CB 4.37Å; L1830-D1835 HydrophobicContact CD2-CB 4.46Å; L1830-K1836 HydrophobicContact CB-CG 4Å; L1830-K1836 HydrophobicContact CD1-CG 4.31Å; L1830-K1836 WeakPolarHBondContact O-CE 3.3Å; L1830-K1836 PolarHBondContact O-NZ 3.01Å; L1830-Y1839 HydrophobicContact CD1-CD1 4.16Å; L1830-Y1839 HydrophobicContact CD1-CG 4.2Å | ||
| 1831 | P | 30.3 | Very low | 31.5 | Very low | 101.6 Ų | 101.6 | 87.3 Ų | 87.3 | 66% | 0.66 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -81 | -31.5 | -161.7 | 10.2 | -4.6 | 0 | 0 | 0 | 114.6 | E1833 I1834 K1836 | P1831-E1833 PolarHBondContact O-N 3.21Å; P1831-I1834 WeakPolarHBondContact O-CB 3.48Å; P1831-I1834 WeakPolarHBondContact O-CG1 3.31Å; P1831-I1834 PolarHBondContact O-N 3.35Å; P1831-K1836 PolarHBondContact O-NZ 3.35Å |
| 1832 | D | 32.8 | Very low | 31.4 | Very low | 118.6 Ų | 118.6 | 86.3 Ų | 86.3 | 63% | 0.634 | 45% | 0.454 | S | S | * | . | trans | -97 | 8.4 | -171.7 | -94.6 | -24.3 | 0 | 0 | 0 | 115 | L1830 I1834 D1835 K1836 V1896 Q1900 | L1830-D1832 PolarHBondContact O-N 3.08Å; D1832-I1834 VanDerWaalsContact C-N 3.33Å; D1832-I1834 PolarHBondContact OD1-N 2.88Å; D1832-I1834 VanDerWaalsContact OD1-N 3.14Å; D1832-D1835 HydrophobicContact CB-CB 4.32Å; D1832-K1836 VanDerWaalsContact O-CG 3.28Å; D1832-K1836 WeakPolarHBondContact O-CG 3.42Å; D1832-K1836 PolarHBondContact O-NZ 2.7Å; D1832-V1896 WeakPolarHBondContact OD1-CG2 3.24Å; D1832-Q1900 PolarHBondContact O-NE2 3.38Å | ||
| 1833 | E | 32.9 | Very low | 31.4 | Very low | 74.8 Ų | 74.8 | 83.7 Ų | 83.7 | 35% | 0.35 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -98.6 | 5.3 | 173.4 | -68.6 | -139.5 | 128.9 | 0 | 0 | 112.9 | F1827 L1830 P1831 D1835 K1836 L1837 S1899 Q1900 I1901 N1904 | F1827-E1833 HydrophobicContact CD1-CB 4.23Å; F1827-E1833 WeakPolarHBondContact CD1-OE2 3.49Å; F1827-E1833 VanDerWaalsContact CE1-OE2 3.25Å; F1827-E1833 WeakPolarHBondContact CE1-OE2 3.42Å; L1830-E1833 HydrophobicContact CB-CB 4.19Å; L1830-E1833 HydrophobicContact CB-CG 4.47Å; L1830-E1833 PolarHBondContact O-N 3.03Å; P1831-E1833 PolarHBondContact O-N 3.21Å; E1833-D1835 VanDerWaalsContact C-N 3.31Å; E1833-D1835 PolarHBondContact O-N 3.16Å; E1833-K1836 HydrophobicContact CB-CB 4.36Å; E1833-K1836 HydrophobicContact CG-CD 4.32Å; E1833-K1836 CarbonylContact O-C 3.34Å; E1833-K1836 WeakPolarHBondContact O-CB 3.34Å; E1833-K1836 PolarHBondContact O-N 3.17Å; E1833-K1836 VanDerWaalsContact O-N 3.14Å; E1833-K1836 VanDerWaalsContact OE1-CD 3.28Å; E1833-K1836 WeakPolarHBondContact OE1-CD 3.38Å; E1833-K1836 WeakPolarHBondContact OE1-CE 3.29Å; E1833-K1836 IonicContact OE1-NZ 3.03Å; E1833-K1836 PolarHBondContact OE1-NZ 3.05Å; E1833-K1836 VanDerWaalsContact OE1-NZ 3.16Å; E1833-K1836 IonicContact OE2-NZ 3.16Å; E1833-K1836 PolarHBondContact OE2-NZ 2.77Å; E1833-L1837 WeakPolarHBondContact O-CB 3.41Å; E1833-L1837 PolarHBondContact O-N 3.23Å; E1833-S1899 WeakPolarHBondContact OE2-CB 3.39Å; E1833-Q1900 CarbonylContact C-O 3.12Å; E1833-Q1900 WeakPolarHBondContact CA-O 3.41Å; E1833-Q1900 HydrophobicContact CB-CG 4.38Å; E1833-Q1900 VanDerWaalsContact CB-O 3.24Å; E1833-Q1900 WeakPolarHBondContact CB-O 3.1Å; E1833-Q1900 HydrophobicContact CG-CG 4.15Å; E1833-Q1900 CarbonylContact O-C 3.58Å; E1833-I1901 WeakPolarHBondContact O-CG1 3.46Å; E1833-I1901 PolarHBondContact O-N 2.87Å; E1833-N1904 PolarHBondContact OE1-ND2 3.34Å |
| 1834 | I | 32 | Very low | 31.3 | Very low | 86.2 Ų | 86.2 | 87.4 Ų | 87.4 | 44% | 0.442 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -74.1 | 0 | 175.1 | -58.6 | 175.1 | 0 | 0 | 0 | 114.4 | L1830 P1831 D1832 K1836 L1837 I1838 V1896 G1897 V1898 S1899 Q1900 I1901 | L1830-I1834 PolarHBondContact O-N 2.86Å; L1830-I1834 VanDerWaalsContact O-N 3.16Å; P1831-I1834 WeakPolarHBondContact O-CB 3.48Å; P1831-I1834 WeakPolarHBondContact O-CG1 3.31Å; P1831-I1834 PolarHBondContact O-N 3.35Å; D1832-I1834 VanDerWaalsContact C-N 3.33Å; D1832-I1834 PolarHBondContact OD1-N 2.88Å; D1832-I1834 VanDerWaalsContact OD1-N 3.14Å; I1834-K1836 VanDerWaalsContact C-N 3.31Å; I1834-K1836 PolarHBondContact O-N 2.87Å; I1834-L1837 CarbonylContact O-C 3.5Å; I1834-L1837 WeakPolarHBondContact O-CB 3.36Å; I1834-L1837 PolarHBondContact O-N 3.01Å; I1834-L1837 VanDerWaalsContact O-N 3.14Å; I1834-I1838 HydrophobicContact CG2-CD1 3.91Å; I1834-I1838 HydrophobicContact CG2-CG1 4.33Å; I1834-I1838 WeakPolarHBondContact O-CB 3.28Å; I1834-I1838 VanDerWaalsContact O-CG1 3.25Å; I1834-I1838 WeakPolarHBondContact O-CG1 3.37Å; I1834-I1838 PolarHBondContact O-N 3.16Å; I1834-V1896 HydrophobicContact CB-CG1 3.7Å; I1834-V1896 HydrophobicContact CD1-CG1 4.16Å; I1834-V1896 HydrophobicContact CG1-CG1 3.57Å; I1834-G1897 VanDerWaalsContact CB-O 3.27Å; I1834-G1897 WeakPolarHBondContact CB-O 3.47Å; I1834-G1897 WeakPolarHBondContact CG2-O 3.27Å; I1834-G1897 CarbonylContact O-C 3.59Å; I1834-V1898 VanDerWaalsContact C-C 3.45Å; I1834-V1898 CarbonylContact O-C 3.57Å; I1834-V1898 WeakPolarHBondContact O-CA 3.43Å; I1834-S1899 VanDerWaalsContact C-C 3.44Å; I1834-S1899 PolarHBondContact O-N 2.62Å; I1834-Q1900 PolarHBondContact N-O 3.34Å; I1834-Q1900 VanDerWaalsContact N-O 3.11Å; I1834-Q1900 PolarHBondContact O-N 2.86Å; I1834-I1901 CarbonylContact C-O 3.43Å; I1834-I1901 HydrophobicContact CB-CB 4.08Å; I1834-I1901 HydrophobicContact CB-CG1 4.32Å; I1834-I1901 HydrophobicContact CG2-CB 3.71Å; I1834-I1901 HydrophobicContact CG2-CG1 4.11Å; I1834-I1901 HydrophobicContact CG2-CG2 4.34Å; I1834-I1901 CarbonylContact O-C 3.54Å; I1834-I1901 WeakPolarHBondContact O-CA 3.33Å |
| 1835 | D | 33.3 | Very low | 31.2 | Very low | 96 Ų | 96 | 93.3 Ų | 93.3 | 51% | 0.513 | 47% | 0.474 | S | S | . | . | H | α-helix | 0 | -21.8 | 0 | -85 | -13.5 | 0 | 0 | 0 | 115.6 | L1830 D1832 E1833 L1837 I1838 Y1839 V1898 S1899 Q1900 I1901 I1902 S1903 N1904 | L1830-D1835 HydrophobicContact CD1-CB 4.37Å; L1830-D1835 HydrophobicContact CD2-CB 4.46Å; D1832-D1835 HydrophobicContact CB-CB 4.32Å; E1833-D1835 VanDerWaalsContact C-N 3.31Å; E1833-D1835 PolarHBondContact O-N 3.16Å; D1835-L1837 VanDerWaalsContact C-N 3.31Å; D1835-I1838 PolarHBondContact O-N 3.22Å; D1835-Y1839 VanDerWaalsContact O-CB 3.31Å; D1835-Y1839 WeakPolarHBondContact O-CB 3.42Å; D1835-Y1839 PolarHBondContact O-N 3.1Å; D1835-V1898 PolarHBondContact N-O 2.72Å; D1835-S1899 VanDerWaalsContact OD1-CA 3.26Å; D1835-S1899 WeakPolarHBondContact OD1-CA 3.38Å; D1835-S1899 VanDerWaalsContact OD1-CB 3.31Å; D1835-S1899 WeakPolarHBondContact OD1-CB 3.34Å; D1835-Q1900 CarbonylContact C-O 3.49Å; D1835-Q1900 VanDerWaalsContact CA-N 3.25Å; D1835-Q1900 HydrophobicContact CB-CB 4.21Å; D1835-Q1900 VanDerWaalsContact CB-N 3.31Å; D1835-Q1900 CarbonylContact O-C 3.15Å; D1835-Q1900 VanDerWaalsContact O-O 3.08Å; D1835-I1901 PolarHBondContact N-O 3.19Å; D1835-I1901 PolarHBondContact O-N 2.84Å; D1835-I1901 VanDerWaalsContact O-N 3.12Å; D1835-I1902 HydrophobicContact CB-CB 4.05Å; D1835-I1902 VanDerWaalsContact CG-CB 3.41Å; D1835-I1902 VanDerWaalsContact OD1-CB 3.26Å; D1835-I1902 WeakPolarHBondContact OD1-CB 2.95Å; D1835-I1902 WeakPolarHBondContact OD1-CG2 3.43Å; D1835-I1902 WeakPolarHBondContact OD2-CG2 3.12Å; D1835-S1903 VanDerWaalsContact CG-N 3.3Å; D1835-S1903 CarbonylContact O-C 3.57Å; D1835-S1903 WeakPolarHBondContact O-CA 3.19Å; D1835-S1903 PolarHBondContact O-N 3.5Å; D1835-S1903 VanDerWaalsContact O-N 3.12Å; D1835-S1903 WeakPolarHBondContact OD2-CA 3.42Å; D1835-S1903 WeakPolarHBondContact OD2-CB 3.45Å; D1835-S1903 PolarHBondContact OD2-N 3.5Å; D1835-S1903 PolarHBondContact OD2-OG 3.15Å; D1835-N1904 VanDerWaalsContact O-CB 3.27Å; D1835-N1904 WeakPolarHBondContact O-CB 3.46Å; D1835-N1904 PolarHBondContact O-N 3.43Å | |
| 1836 | K | 33.1 | Very low | 31.2 | Very low | 80.6 Ų | 80.6 | 93.9 Ų | 93.9 | 35% | 0.35 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -52.4 | -24.4 | 177.3 | -57.7 | 176 | -173 | 156.2 | 0 | 115.6 | F1827 L1830 P1831 D1832 E1833 I1834 I1838 Y1839 L1840 I1901 I1902 S1903 N1904 M1905 L1906 | F1827-K1836 HydrophobicContact CD2-CB 4.28Å; F1827-K1836 HydrophobicContact CD2-CG 4.37Å; F1827-K1836 HydrophobicContact CE2-CB 3.62Å; F1827-K1836 HydrophobicContact CE2-CG 4.08Å; F1827-K1836 WeakPolarHBondContact CE2-O 3.26Å; F1827-K1836 HydrophobicContact CZ-CB 3.96Å; F1827-K1836 HydrophobicContact CZ-CD 4.43Å; F1827-K1836 HydrophobicContact CZ-CG 4.3Å; L1830-K1836 HydrophobicContact CB-CG 4Å; L1830-K1836 HydrophobicContact CD1-CG 4.31Å; L1830-K1836 WeakPolarHBondContact O-CE 3.3Å; L1830-K1836 PolarHBondContact O-NZ 3.01Å; P1831-K1836 PolarHBondContact O-NZ 3.35Å; D1832-K1836 VanDerWaalsContact O-CG 3.28Å; D1832-K1836 WeakPolarHBondContact O-CG 3.42Å; D1832-K1836 PolarHBondContact O-NZ 2.7Å; E1833-K1836 HydrophobicContact CB-CB 4.36Å; E1833-K1836 HydrophobicContact CG-CD 4.32Å; E1833-K1836 CarbonylContact O-C 3.34Å; E1833-K1836 WeakPolarHBondContact O-CB 3.34Å; E1833-K1836 PolarHBondContact O-N 3.17Å; E1833-K1836 VanDerWaalsContact O-N 3.14Å; E1833-K1836 VanDerWaalsContact OE1-CD 3.28Å; E1833-K1836 WeakPolarHBondContact OE1-CD 3.38Å; E1833-K1836 WeakPolarHBondContact OE1-CE 3.29Å; E1833-K1836 IonicContact OE1-NZ 3.03Å; E1833-K1836 PolarHBondContact OE1-NZ 3.05Å; E1833-K1836 VanDerWaalsContact OE1-NZ 3.16Å; E1833-K1836 IonicContact OE2-NZ 3.16Å; E1833-K1836 PolarHBondContact OE2-NZ 2.77Å; I1834-K1836 VanDerWaalsContact C-N 3.31Å; I1834-K1836 PolarHBondContact O-N 2.87Å; K1836-I1838 PolarHBondContact O-N 3.17Å; K1836-Y1839 CarbonylContact O-C 3.6Å; K1836-Y1839 WeakPolarHBondContact O-CB 3.26Å; K1836-Y1839 PolarHBondContact O-N 3.03Å; K1836-L1840 WeakPolarHBondContact O-CB 3.26Å; K1836-L1840 WeakPolarHBondContact O-CG 3.32Å; K1836-L1840 PolarHBondContact O-N 3.15Å; K1836-I1901 VanDerWaalsContact CB-CA 3.41Å; K1836-I1901 HydrophobicContact CB-CB 4.14Å; K1836-I1901 HydrophobicContact CB-CD1 4.25Å; K1836-I1901 HydrophobicContact CB-CG1 4.31Å; K1836-I1901 HydrophobicContact CD-CD1 3.64Å; K1836-I1901 HydrophobicContact CD-CG1 3.85Å; K1836-I1901 HydrophobicContact CG-CB 4.44Å; K1836-I1901 HydrophobicContact CG-CD1 4.35Å; K1836-I1901 HydrophobicContact CG-CG1 4.25Å; K1836-I1901 VanDerWaalsContact CG-N 3.27Å; K1836-I1901 CarbonylContact O-C 3.54Å; K1836-I1901 VanDerWaalsContact O-CA 3.22Å; K1836-I1901 WeakPolarHBondContact O-CA 3.13Å; K1836-I1901 WeakPolarHBondContact O-CB 3.32Å; K1836-I1901 WeakPolarHBondContact O-CG2 3.42Å; K1836-I1902 VanDerWaalsContact C-C 3.49Å; K1836-I1902 CarbonylContact C-O 2.87Å; K1836-I1902 VanDerWaalsContact C-O 3.24Å; K1836-I1902 VanDerWaalsContact CA-N 3.26Å; K1836-I1902 WeakPolarHBondContact CA-O 3.49Å; K1836-I1902 PolarHBondContact N-O 2.87Å; K1836-S1903 WeakPolarHBondContact CA-O 3.18Å; K1836-S1903 PolarHBondContact N-O 2.79Å; K1836-N1904 HydrophobicContact CD-CB 4.39Å; K1836-N1904 HydrophobicContact CG-CB 3.68Å; K1836-M1905 HydrophobicContact CB-CB 3.63Å; K1836-M1905 HydrophobicContact CB-CE 4.11Å; K1836-M1905 HydrophobicContact CD-CB 3.69Å; K1836-M1905 HydrophobicContact CD-CE 3.7Å; K1836-M1905 HydrophobicContact CD-CG 4.26Å; K1836-M1905 HydrophobicContact CG-CB 3.54Å; K1836-M1905 HydrophobicContact CG-CE 4.39Å; K1836-L1906 HydrophobicContact CD-CD1 4.3Å; K1836-L1906 HydrophobicContact CD-CD2 4.41Å |
| 1837 | L | 32.4 | Very low | 31.2 | Very low | 50.8 Ų | 50.8 | 93.5 Ų | 93.5 | 27% | 0.266 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -79.1 | -45.9 | 176.5 | -167.7 | 75 | 0 | 0 | 0 | 112.5 | F1827 C1828 E1833 I1834 D1835 Y1839 L1840 L1841 V1898 I1901 I1902 | F1827-L1837 HydrophobicContact CB-CD1 4.12Å; F1827-L1837 HydrophobicContact CD1-CD2 4.28Å; F1827-L1837 HydrophobicContact CE1-CD1 4.24Å; F1827-L1837 HydrophobicContact CE1-CD2 4.23Å; C1828-L1837 VanDerWaalsContact SG-CD2 3.53Å; E1833-L1837 WeakPolarHBondContact O-CB 3.41Å; E1833-L1837 PolarHBondContact O-N 3.23Å; I1834-L1837 CarbonylContact O-C 3.5Å; I1834-L1837 WeakPolarHBondContact O-CB 3.36Å; I1834-L1837 PolarHBondContact O-N 3.01Å; I1834-L1837 VanDerWaalsContact O-N 3.14Å; D1835-L1837 VanDerWaalsContact C-N 3.31Å; L1837-Y1839 VanDerWaalsContact C-N 3.3Å; L1837-Y1839 PolarHBondContact O-N 2.88Å; L1837-L1840 CarbonylContact O-C 3.54Å; L1837-L1840 PolarHBondContact O-N 3.14Å; L1837-L1841 HydrophobicContact CD1-CD1 4.35Å; L1837-L1841 HydrophobicContact CD2-CD1 4.31Å; L1837-L1841 HydrophobicContact CG-CD1 4.15Å; L1837-L1841 HydrophobicContact CG-CG 4.4Å; L1837-L1841 VanDerWaalsContact O-CB 3.28Å; L1837-L1841 WeakPolarHBondContact O-CB 3.37Å; L1837-L1841 VanDerWaalsContact O-CG 3.23Å; L1837-L1841 WeakPolarHBondContact O-CG 3.34Å; L1837-L1841 PolarHBondContact O-N 2.94Å; L1837-V1898 HydrophobicContact CB-CG1 4.02Å; L1837-V1898 HydrophobicContact CD1-CB 4.08Å; L1837-V1898 HydrophobicContact CD1-CG1 3.51Å; L1837-V1898 HydrophobicContact CD2-CG1 3.51Å; L1837-V1898 HydrophobicContact CG-CG1 4.3Å; L1837-I1901 HydrophobicContact CB-CG2 4.42Å; L1837-I1901 WeakPolarHBondContact CB-O 3.09Å; L1837-I1901 HydrophobicContact CD1-CG2 4.07Å; L1837-I1902 HydrophobicContact CB-CD1 3.87Å; L1837-I1902 HydrophobicContact CB-CG1 3.93Å; L1837-I1902 VanDerWaalsContact CB-N 3.28Å; L1837-I1902 HydrophobicContact CD1-CD1 3.68Å; L1837-I1902 HydrophobicContact CG-CD1 4.4Å; L1837-I1902 PolarHBondContact N-O 3.39Å |
| 1838 | I | 33.5 | Very low | 31.3 | Very low | 94.2 Ų | 94.2 | 96.5 Ų | 96.5 | 48% | 0.483 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.7 | -34.1 | 175.9 | -60.4 | 169.4 | 0 | 0 | 0 | 111.8 | I1834 D1835 K1836 L1840 L1841 S1842 I1902 | I1834-I1838 HydrophobicContact CG2-CD1 3.91Å; I1834-I1838 HydrophobicContact CG2-CG1 4.33Å; I1834-I1838 WeakPolarHBondContact O-CB 3.28Å; I1834-I1838 VanDerWaalsContact O-CG1 3.25Å; I1834-I1838 WeakPolarHBondContact O-CG1 3.37Å; I1834-I1838 PolarHBondContact O-N 3.16Å; D1835-I1838 PolarHBondContact O-N 3.22Å; K1836-I1838 PolarHBondContact O-N 3.17Å; I1838-L1840 PolarHBondContact O-N 2.85Å; I1838-L1841 HydrophobicContact CG2-CB 4.47Å; I1838-L1841 HydrophobicContact CG2-CD1 4.28Å; I1838-L1841 PolarHBondContact O-N 3.34Å; I1838-S1842 VanDerWaalsContact O-CB 3.26Å; I1838-S1842 WeakPolarHBondContact O-CB 3.38Å; I1838-S1842 PolarHBondContact O-N 3.21Å; I1838-S1842 PolarHBondContact O-OG 3.15Å; I1838-I1902 HydrophobicContact CD1-CD1 4.01Å; I1838-I1902 HydrophobicContact CD1-CG1 4.08Å; I1838-I1902 HydrophobicContact CD1-CG2 3.81Å; I1838-I1902 HydrophobicContact CG1-CB 4.26Å; I1838-I1902 HydrophobicContact CG1-CD1 4.02Å; I1838-I1902 HydrophobicContact CG1-CG1 3.61Å; I1838-I1902 HydrophobicContact CG1-CG2 3.89Å |
| 1839 | Y | 32.2 | Very low | 31.4 | Very low | 108.4 Ų | 108.4 | 96.1 Ų | 96.1 | 43% | 0.425 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70 | -45.2 | 177.1 | -161.2 | -105.3 | 0 | 0 | 0 | 113 | I1823 L1826 F1827 L1830 D1835 K1836 L1837 L1841 S1842 I1843 I1909 Q1910 | I1823-Y1839 HydrophobicContact CG2-CE1 4.21Å; L1826-Y1839 HydrophobicContact CB-CE1 4.43Å; F1827-Y1839 HydrophobicContact CB-CD1 4.39Å; F1827-Y1839 HydrophobicContact CD2-CD1 4.4Å; L1830-Y1839 HydrophobicContact CD1-CD1 4.16Å; L1830-Y1839 HydrophobicContact CD1-CG 4.2Å; D1835-Y1839 VanDerWaalsContact O-CB 3.31Å; D1835-Y1839 WeakPolarHBondContact O-CB 3.42Å; D1835-Y1839 PolarHBondContact O-N 3.1Å; K1836-Y1839 CarbonylContact O-C 3.6Å; K1836-Y1839 WeakPolarHBondContact O-CB 3.26Å; K1836-Y1839 PolarHBondContact O-N 3.03Å; L1837-Y1839 VanDerWaalsContact C-N 3.3Å; L1837-Y1839 PolarHBondContact O-N 2.88Å; Y1839-L1841 VanDerWaalsContact C-N 3.33Å; Y1839-L1841 PolarHBondContact O-N 3.32Å; Y1839-S1842 WeakPolarHBondContact CA-OG 3.48Å; Y1839-S1842 WeakPolarHBondContact O-CA 3.5Å; Y1839-S1842 WeakPolarHBondContact O-CB 3.2Å; Y1839-S1842 PolarHBondContact O-N 3.07Å; Y1839-S1842 VanDerWaalsContact O-N 3.13Å; Y1839-S1842 PolarHBondContact O-OG 3.13Å; Y1839-I1843 HydrophobicContact CD1-CD1 3.71Å; Y1839-I1843 VanDerWaalsContact CD1-CD1 3.47Å; Y1839-I1843 HydrophobicContact CE1-CD1 3.7Å; Y1839-I1843 HydrophobicContact CE2-CD1 4.44Å; Y1839-I1843 HydrophobicContact CG-CD1 4.22Å; Y1839-I1843 WeakPolarHBondContact O-CB 3.32Å; Y1839-I1843 WeakPolarHBondContact O-CD1 3.23Å; Y1839-I1843 VanDerWaalsContact O-CG1 3.23Å; Y1839-I1843 WeakPolarHBondContact O-CG1 3.4Å; Y1839-I1843 PolarHBondContact O-N 3.11Å; Y1839-I1843 VanDerWaalsContact O-N 3.11Å; Y1839-I1909 HydrophobicContact CD1-CB 3.78Å; Y1839-I1909 HydrophobicContact CD1-CG2 3.5Å; Y1839-I1909 VanDerWaalsContact CD1-CG2 3.5Å; Y1839-I1909 WeakPolarHBondContact CD1-O 3.48Å; Y1839-I1909 HydrophobicContact CE1-CB 4.29Å; Y1839-I1909 HydrophobicContact CE1-CG2 3.76Å; Y1839-I1909 WeakPolarHBondContact CE1-O 3.38Å; Y1839-Q1910 HydrophobicContact CD1-CG 4.33Å; Y1839-Q1910 HydrophobicContact CD2-CG 3.28Å; Y1839-Q1910 HydrophobicContact CE1-CG 4.17Å; Y1839-Q1910 HydrophobicContact CE2-CB 4.48Å; Y1839-Q1910 VanDerWaalsContact CE2-CD 3.45Å; Y1839-Q1910 HydrophobicContact CE2-CG 3.06Å; Y1839-Q1910 HydrophobicContact CG-CG 3.89Å; Y1839-Q1910 VanDerWaalsContact CZ-CG 3.49Å |
| 1840 | L | 31.4 | Very low | 31.5 | Very low | 76.8 Ų | 76.8 | 96 Ų | 96 | 40% | 0.402 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 173.3 | -89.3 | 166.9 | 0 | 0 | 0 | 111.9 | F1827 K1836 L1837 I1838 S1842 I1843 R1844 L1871 C1875 I1902 I1909 | F1827-L1840 HydrophobicContact CD2-CG 4.31Å; F1827-L1840 HydrophobicContact CE2-CB 4.12Å; F1827-L1840 HydrophobicContact CE2-CD1 3.6Å; F1827-L1840 HydrophobicContact CE2-CG 3.53Å; F1827-L1840 HydrophobicContact CZ-CD1 3.53Å; F1827-L1840 HydrophobicContact CZ-CG 3.95Å; K1836-L1840 WeakPolarHBondContact O-CB 3.26Å; K1836-L1840 WeakPolarHBondContact O-CG 3.32Å; K1836-L1840 PolarHBondContact O-N 3.15Å; L1837-L1840 CarbonylContact O-C 3.54Å; L1837-L1840 PolarHBondContact O-N 3.14Å; I1838-L1840 PolarHBondContact O-N 2.85Å; L1840-S1842 VanDerWaalsContact C-N 3.26Å; L1840-S1842 PolarHBondContact O-N 3.29Å; L1840-I1843 HydrophobicContact CD2-CB 4.29Å; L1840-I1843 HydrophobicContact CD2-CD1 4.29Å; L1840-I1843 HydrophobicContact CD2-CG2 4.43Å; L1840-I1843 WeakPolarHBondContact O-CB 3.34Å; L1840-I1843 PolarHBondContact O-N 3.02Å; L1840-R1844 WeakPolarHBondContact O-CB 3.37Å; L1840-R1844 PolarHBondContact O-N 3.08Å; L1840-L1871 HydrophobicContact CD1-CD2 3.89Å; L1840-C1875 VanDerWaalsContact CB-SG 3.5Å; L1840-C1875 VanDerWaalsContact CD2-SG 3.51Å; L1840-C1875 PolarHBondContact O-SG 2.94Å; L1840-I1902 HydrophobicContact CD1-CD1 4.08Å; L1840-I1902 HydrophobicContact CD1-CG1 3.99Å; L1840-I1909 HydrophobicContact CD1-CD1 4.17Å; L1840-I1909 HydrophobicContact CD2-CD1 3.89Å; L1840-I1909 HydrophobicContact CG-CD1 3.61Å |
| 1841 | L | 31.3 | Very low | 31.6 | Very low | 78.8 Ų | 78.8 | 92.4 Ų | 92.4 | 41% | 0.413 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.4 | -28.2 | 173.5 | -70.2 | 172.2 | 0 | 0 | 0 | 112.6 | L1837 I1838 Y1839 I1843 R1844 R1845 F1847 L1874 C1875 | L1837-L1841 HydrophobicContact CD1-CD1 4.35Å; L1837-L1841 HydrophobicContact CD2-CD1 4.31Å; L1837-L1841 HydrophobicContact CG-CD1 4.15Å; L1837-L1841 HydrophobicContact CG-CG 4.4Å; L1837-L1841 VanDerWaalsContact O-CB 3.28Å; L1837-L1841 WeakPolarHBondContact O-CB 3.37Å; L1837-L1841 VanDerWaalsContact O-CG 3.23Å; L1837-L1841 WeakPolarHBondContact O-CG 3.34Å; L1837-L1841 PolarHBondContact O-N 2.94Å; I1838-L1841 HydrophobicContact CG2-CB 4.47Å; I1838-L1841 HydrophobicContact CG2-CD1 4.28Å; I1838-L1841 PolarHBondContact O-N 3.34Å; Y1839-L1841 VanDerWaalsContact C-N 3.33Å; Y1839-L1841 PolarHBondContact O-N 3.32Å; L1841-I1843 PolarHBondContact O-N 3.03Å; L1841-R1844 VanDerWaalsContact O-CB 3.3Å; L1841-R1844 WeakPolarHBondContact O-CB 3.43Å; L1841-R1844 WeakPolarHBondContact O-CD 3.38Å; L1841-R1844 PolarHBondContact O-N 3.02Å; L1841-R1845 WeakPolarHBondContact O-CB 3.27Å; L1841-R1845 PolarHBondContact O-N 2.8Å; L1841-F1847 HydrophobicContact CD2-CD2 3.28Å; L1841-F1847 HydrophobicContact CD2-CE2 3.36Å; L1841-F1847 HydrophobicContact CD2-CG 4.12Å; L1841-F1847 HydrophobicContact CD2-CZ 4.25Å; L1841-L1874 VanDerWaalsContact CD2-O 3.26Å; L1841-L1874 WeakPolarHBondContact CD2-O 3.3Å; L1841-C1875 VanDerWaalsContact CD2-O 3.32Å; L1841-C1875 WeakPolarHBondContact CD2-O 3.44Å |
| 1842 | S | 30.3 | Very low | 31.8 | Very low | 63 Ų | 63 | 91.4 Ų | 91.4 | 44% | 0.441 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -77.9 | -26.1 | 174.7 | 74.6 | 0 | 0 | 0 | 0 | 113 | I1838 Y1839 L1840 R1844 R1845 N1846 | I1838-S1842 VanDerWaalsContact O-CB 3.26Å; I1838-S1842 WeakPolarHBondContact O-CB 3.38Å; I1838-S1842 PolarHBondContact O-N 3.21Å; I1838-S1842 PolarHBondContact O-OG 3.15Å; Y1839-S1842 WeakPolarHBondContact CA-OG 3.48Å; Y1839-S1842 WeakPolarHBondContact O-CA 3.5Å; Y1839-S1842 WeakPolarHBondContact O-CB 3.2Å; Y1839-S1842 PolarHBondContact O-N 3.07Å; Y1839-S1842 VanDerWaalsContact O-N 3.13Å; Y1839-S1842 PolarHBondContact O-OG 3.13Å; L1840-S1842 VanDerWaalsContact C-N 3.26Å; L1840-S1842 PolarHBondContact O-N 3.29Å; S1842-R1844 WeakPolarHBondContact O-CA 3.31Å; S1842-R1844 WeakPolarHBondContact O-CB 3.35Å; S1842-R1844 PolarHBondContact O-N 2.98Å; S1842-R1845 PolarHBondContact O-N 2.99Å; S1842-N1846 VanDerWaalsContact O-CB 3.25Å; S1842-N1846 WeakPolarHBondContact O-CB 3.31Å; S1842-N1846 PolarHBondContact O-N 3.47Å; S1842-N1846 PolarHBondContact O-ND2 3.04Å |
| 1843 | I | 29.3 | Very low | 31.8 | Very low | 59.4 Ų | 59.4 | 91.2 Ų | 91.2 | 31% | 0.305 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66 | -1.9 | 168.7 | -64.9 | 175 | 0 | 0 | 0 | 110 | I1823 Y1839 L1840 L1841 R1845 N1846 F1847 I1909 | I1823-I1843 HydrophobicContact CG2-CD1 3.42Å; I1823-I1843 VanDerWaalsContact CG2-CD1 3.42Å; I1823-I1843 HydrophobicContact CG2-CG1 4.09Å; Y1839-I1843 HydrophobicContact CD1-CD1 3.71Å; Y1839-I1843 VanDerWaalsContact CD1-CD1 3.47Å; Y1839-I1843 HydrophobicContact CE1-CD1 3.7Å; Y1839-I1843 HydrophobicContact CE2-CD1 4.44Å; Y1839-I1843 HydrophobicContact CG-CD1 4.22Å; Y1839-I1843 WeakPolarHBondContact O-CB 3.32Å; Y1839-I1843 WeakPolarHBondContact O-CD1 3.23Å; Y1839-I1843 VanDerWaalsContact O-CG1 3.23Å; Y1839-I1843 WeakPolarHBondContact O-CG1 3.4Å; Y1839-I1843 PolarHBondContact O-N 3.11Å; Y1839-I1843 VanDerWaalsContact O-N 3.11Å; L1840-I1843 HydrophobicContact CD2-CB 4.29Å; L1840-I1843 HydrophobicContact CD2-CD1 4.29Å; L1840-I1843 HydrophobicContact CD2-CG2 4.43Å; L1840-I1843 WeakPolarHBondContact O-CB 3.34Å; L1840-I1843 PolarHBondContact O-N 3.02Å; L1841-I1843 PolarHBondContact O-N 3.03Å; I1843-R1845 VanDerWaalsContact C-N 3.32Å; I1843-R1845 PolarHBondContact O-N 3.21Å; I1843-R1845 VanDerWaalsContact O-N 3.08Å; I1843-N1846 PolarHBondContact O-N 3.07Å; I1843-F1847 HydrophobicContact CG2-CB 4.3Å; I1843-F1847 HydrophobicContact CG2-CD2 3.61Å; I1843-F1847 VanDerWaalsContact CG2-CD2 3.42Å; I1843-F1847 HydrophobicContact CG2-CE2 3.97Å; I1843-F1847 HydrophobicContact CG2-CG 3.91Å; I1843-F1847 PolarHBondContact O-N 2.93Å; I1843-I1909 HydrophobicContact CD1-CG2 3.38Å; I1843-I1909 HydrophobicContact CG1-CG2 4.31Å |
| 1844 | R | 29.8 | Very low | 31.6 | Very low | 145.2 Ų | 145.2 | 89.3 Ų | 89.3 | 55% | 0.548 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -22.3 | -173.6 | -153.9 | 174 | -177.2 | 168.1 | 2.6 | 116.1 | L1840 L1841 S1842 R1848 C1875 T1876 L1877 | L1840-R1844 WeakPolarHBondContact O-CB 3.37Å; L1840-R1844 PolarHBondContact O-N 3.08Å; L1841-R1844 VanDerWaalsContact O-CB 3.3Å; L1841-R1844 WeakPolarHBondContact O-CB 3.43Å; L1841-R1844 WeakPolarHBondContact O-CD 3.38Å; L1841-R1844 PolarHBondContact O-N 3.02Å; S1842-R1844 WeakPolarHBondContact O-CA 3.31Å; S1842-R1844 WeakPolarHBondContact O-CB 3.35Å; S1842-R1844 PolarHBondContact O-N 2.98Å; R1844-R1848 PolarHBondContact O-N 3.18Å; R1844-C1875 WeakPolarHBondContact CD-O 3.29Å; R1844-C1875 WeakPolarHBondContact CG-O 3.14Å; R1844-C1875 PolarHBondContact NE-O 3.4Å; R1844-C1875 VanDerWaalsContact NE-O 3.1Å; R1844-C1875 PolarHBondContact NH1-O 3.32Å; R1844-C1875 PolarHBondContact NH2-O 2.93Å; R1844-T1876 HydrophobicContact CG-CG2 4.18Å; R1844-T1876 VanDerWaalsContact NH2-CA 3.31Å; R1844-T1876 PolarHBondContact NH2-O 2.96Å; R1844-L1877 PolarHBondContact NH2-O 3.28Å |
| 1845 | R | 29.6 | Very low | 31.5 | Very low | 187 Ų | 187 | 90.7 Ų | 90.7 | 71% | 0.706 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -83.4 | -41.2 | -174.2 | -128.3 | 178.6 | -174.7 | 170.9 | 3.2 | 113.8 | L1841 S1842 I1843 F1847 R1848 S1849 E2554 | L1841-R1845 WeakPolarHBondContact O-CB 3.27Å; L1841-R1845 PolarHBondContact O-N 2.8Å; S1842-R1845 PolarHBondContact O-N 2.99Å; I1843-R1845 VanDerWaalsContact C-N 3.32Å; I1843-R1845 PolarHBondContact O-N 3.21Å; I1843-R1845 VanDerWaalsContact O-N 3.08Å; R1845-F1847 PolarHBondContact O-N 3.21Å; R1845-F1847 VanDerWaalsContact O-N 3.12Å; R1845-R1848 PolarHBondContact O-N 3.01Å; R1845-S1849 PolarHBondContact O-N 3.04Å; R1845-E2554 IonicContact NH1-OE1 3.92Å; R1845-E2554 PolarHBondContact NH1-OE1 3.27Å |
| 1846 | N | 29.9 | Very low | 31.3 | Very low | 117 Ų | 117 | 90.2 Ų | 90.2 | 63% | 0.626 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -76.5 | -26.3 | -178.9 | -69.6 | -7.4 | 0 | 0 | 0 | 112.8 | S1842 I1843 R1848 S1849 L1850 | S1842-N1846 VanDerWaalsContact O-CB 3.25Å; S1842-N1846 WeakPolarHBondContact O-CB 3.31Å; S1842-N1846 PolarHBondContact O-N 3.47Å; S1842-N1846 PolarHBondContact O-ND2 3.04Å; I1843-N1846 PolarHBondContact O-N 3.07Å; N1846-R1848 VanDerWaalsContact C-N 3.33Å; N1846-R1848 PolarHBondContact O-N 3.03Å; N1846-S1849 PolarHBondContact O-N 2.74Å; N1846-S1849 PolarHBondContact O-OG 3.19Å; N1846-L1850 PolarHBondContact O-N 3.49Å |
| 1847 | F | 29.5 | Very low | 31.1 | Very low | 75.2 Ų | 75.2 | 91.9 Ų | 91.9 | 33% | 0.33 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -77.2 | -23.5 | 176.6 | -107.5 | -89.8 | 0 | 0 | 0 | 113.5 | S1820 L1841 I1843 R1845 S1849 L1850 V1851 L1868 F1872 I1909 | S1820-F1847 WeakPolarHBondContact OG-CE1 3.4Å; S1820-F1847 VanDerWaalsContact OG-CZ 3.32Å; S1820-F1847 WeakPolarHBondContact OG-CZ 3.42Å; L1841-F1847 HydrophobicContact CD2-CD2 3.28Å; L1841-F1847 HydrophobicContact CD2-CE2 3.36Å; L1841-F1847 HydrophobicContact CD2-CG 4.12Å; L1841-F1847 HydrophobicContact CD2-CZ 4.25Å; I1843-F1847 HydrophobicContact CG2-CB 4.3Å; I1843-F1847 HydrophobicContact CG2-CD2 3.61Å; I1843-F1847 VanDerWaalsContact CG2-CD2 3.42Å; I1843-F1847 HydrophobicContact CG2-CE2 3.97Å; I1843-F1847 HydrophobicContact CG2-CG 3.91Å; I1843-F1847 PolarHBondContact O-N 2.93Å; R1845-F1847 PolarHBondContact O-N 3.21Å; R1845-F1847 VanDerWaalsContact O-N 3.12Å; F1847-S1849 VanDerWaalsContact C-N 3.33Å; F1847-S1849 PolarHBondContact O-N 3.15Å; F1847-L1850 HydrophobicContact CD1-CB 4.24Å; F1847-L1850 HydrophobicContact CD1-CD1 4.33Å; F1847-L1850 HydrophobicContact CD1-CD2 4.21Å; F1847-L1850 HydrophobicContact CD1-CG 4.48Å; F1847-L1850 HydrophobicContact CE1-CD1 4.06Å; F1847-L1850 HydrophobicContact CE1-CD2 4.25Å; F1847-L1850 VanDerWaalsContact O-CB 3.3Å; F1847-L1850 WeakPolarHBondContact O-CB 3.33Å; F1847-L1850 PolarHBondContact O-N 3.14Å; F1847-L1850 VanDerWaalsContact O-N 3.12Å; F1847-V1851 HydrophobicContact CD1-CG2 4.38Å; F1847-V1851 VanDerWaalsContact O-CG2 3.28Å; F1847-V1851 WeakPolarHBondContact O-CG2 3.45Å; F1847-V1851 PolarHBondContact O-N 3.14Å; F1847-V1851 VanDerWaalsContact O-N 3.16Å; F1847-L1868 HydrophobicContact CE1-CD2 4.01Å; F1847-L1868 HydrophobicContact CZ-CD2 3.97Å; F1847-F1872 VanDerWaalsContact C-CZ 3.49Å; F1847-F1872 HydrophobicContact CB-CE2 3.8Å; F1847-F1872 HydrophobicContact CB-CZ 4.32Å; F1847-F1872 HydrophobicContact CD1-CD2 4.42Å; F1847-F1872 HydrophobicContact CD1-CE2 4.1Å; F1847-F1872 HydrophobicContact CG-CE2 4.45Å; F1847-F1872 WeakPolarHBondContact O-CE2 3.46Å; F1847-F1872 WeakPolarHBondContact O-CZ 3.43Å; F1847-I1909 HydrophobicContact CE1-CD1 4.32Å; F1847-I1909 HydrophobicContact CE2-CD1 3.86Å; F1847-I1909 HydrophobicContact CE2-CG1 4.2Å; F1847-I1909 HydrophobicContact CE2-CG2 3.99Å; F1847-I1909 HydrophobicContact CZ-CD1 3.38Å; F1847-I1909 HydrophobicContact CZ-CG1 3.93Å |
| 1848 | R | 32.6 | Very low | 31 | Very low | 147.6 Ų | 147.6 | 94.3 Ų | 94.3 | 56% | 0.557 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.9 | -42.1 | 179 | -157.7 | 168.8 | -170.1 | 159.3 | 2.6 | 111.4 | R1844 R1845 N1846 L1850 V1851 D1852 F1872 E1880 | R1844-R1848 PolarHBondContact O-N 3.18Å; R1845-R1848 PolarHBondContact O-N 3.01Å; N1846-R1848 VanDerWaalsContact C-N 3.33Å; N1846-R1848 PolarHBondContact O-N 3.03Å; R1848-L1850 VanDerWaalsContact C-N 3.27Å; R1848-L1850 PolarHBondContact O-N 3.1Å; R1848-L1850 VanDerWaalsContact O-N 3.16Å; R1848-V1851 CarbonylContact O-C 3.47Å; R1848-V1851 WeakPolarHBondContact O-CA 3.37Å; R1848-V1851 WeakPolarHBondContact O-CB 3.15Å; R1848-V1851 PolarHBondContact O-N 3.16Å; R1848-V1851 VanDerWaalsContact O-N 3.14Å; R1848-D1852 WeakPolarHBondContact O-CB 3.47Å; R1848-D1852 PolarHBondContact O-N 2.95Å; R1848-D1852 VanDerWaalsContact O-N 3.1Å; R1848-D1852 VanDerWaalsContact O-OD2 3.1Å; R1848-F1872 HydrophobicContact CB-CZ 4.34Å; R1848-F1872 HydrophobicContact CG-CE1 4.41Å; R1848-F1872 HydrophobicContact CG-CZ 4Å; R1848-E1880 IonicContact CZ-OE1 2.71Å; R1848-E1880 IonicContact NH1-OE1 2.65Å; R1848-E1880 PolarHBondContact NH1-OE1 3.05Å; R1848-E1880 IonicContact NH2-OE1 2.65Å; R1848-E1880 PolarHBondContact NH2-OE1 3.5Å; R1848-E1880 IonicContact NH2-OE2 3.42Å |
| 1849 | S | 34.1 | Very low | 30.7 | Very low | 72 Ų | 72 | 93.7 Ų | 93.7 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.1 | -30.6 | 172.5 | 42.4 | 0 | 0 | 0 | 0 | 113.5 | R1845 N1846 F1847 V1851 D1852 F1853 | R1845-S1849 PolarHBondContact O-N 3.04Å; N1846-S1849 PolarHBondContact O-N 2.74Å; N1846-S1849 PolarHBondContact O-OG 3.19Å; F1847-S1849 VanDerWaalsContact C-N 3.33Å; F1847-S1849 PolarHBondContact O-N 3.15Å; S1849-V1851 VanDerWaalsContact C-N 3.33Å; S1849-V1851 PolarHBondContact O-N 2.74Å; S1849-D1852 VanDerWaalsContact CA-OD2 3.31Å; S1849-D1852 WeakPolarHBondContact CA-OD2 3.22Å; S1849-D1852 PolarHBondContact N-OD2 3.03Å; S1849-D1852 PolarHBondContact O-N 2.77Å; S1849-F1853 VanDerWaalsContact O-CB 3.25Å; S1849-F1853 WeakPolarHBondContact O-CB 3.38Å; S1849-F1853 PolarHBondContact O-N 3.15Å |
| 1850 | L | 30.3 | Very low | 30.5 | Very low | 80.4 Ų | 80.4 | 95.2 Ų | 95.2 | 42% | 0.421 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.2 | -35.3 | 174.3 | -151.8 | 97.2 | 0 | 0 | 0 | 111.8 | Q1816 N1846 F1847 R1848 F1853 C1854 L1868 | Q1816-L1850 HydrophobicContact CB-CD1 4.4Å; N1846-L1850 PolarHBondContact O-N 3.49Å; F1847-L1850 HydrophobicContact CD1-CB 4.24Å; F1847-L1850 HydrophobicContact CD1-CD1 4.33Å; F1847-L1850 HydrophobicContact CD1-CD2 4.21Å; F1847-L1850 HydrophobicContact CD1-CG 4.48Å; F1847-L1850 HydrophobicContact CE1-CD1 4.06Å; F1847-L1850 HydrophobicContact CE1-CD2 4.25Å; F1847-L1850 VanDerWaalsContact O-CB 3.3Å; F1847-L1850 WeakPolarHBondContact O-CB 3.33Å; F1847-L1850 PolarHBondContact O-N 3.14Å; F1847-L1850 VanDerWaalsContact O-N 3.12Å; R1848-L1850 VanDerWaalsContact C-N 3.27Å; R1848-L1850 PolarHBondContact O-N 3.1Å; R1848-L1850 VanDerWaalsContact O-N 3.16Å; L1850-F1853 WeakPolarHBondContact O-CB 3.44Å; L1850-F1853 PolarHBondContact O-N 2.96Å; L1850-C1854 PolarHBondContact O-N 2.95Å; L1850-C1854 VanDerWaalsContact O-N 3.1Å; L1850-C1854 PolarHBondContact O-SG 3.2Å; L1850-C1854 VanDerWaalsContact O-SG 3.34Å; L1850-L1868 HydrophobicContact CD2-CD1 4.18Å |
| 1851 | V | 32.9 | Very low | 30.4 | Very low | 26.6 Ų | 26.6 | 97 Ų | 97 | 16% | 0.161 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -73 | -43.1 | 174.9 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | F1847 R1848 S1849 F1853 C1854 E1855 F1872 | F1847-V1851 HydrophobicContact CD1-CG2 4.38Å; F1847-V1851 VanDerWaalsContact O-CG2 3.28Å; F1847-V1851 WeakPolarHBondContact O-CG2 3.45Å; F1847-V1851 PolarHBondContact O-N 3.14Å; F1847-V1851 VanDerWaalsContact O-N 3.16Å; R1848-V1851 CarbonylContact O-C 3.47Å; R1848-V1851 WeakPolarHBondContact O-CA 3.37Å; R1848-V1851 WeakPolarHBondContact O-CB 3.15Å; R1848-V1851 PolarHBondContact O-N 3.16Å; R1848-V1851 VanDerWaalsContact O-N 3.14Å; S1849-V1851 VanDerWaalsContact C-N 3.33Å; S1849-V1851 PolarHBondContact O-N 2.74Å; V1851-F1853 VanDerWaalsContact C-N 3.32Å; V1851-F1853 PolarHBondContact O-N 3.28Å; V1851-C1854 CarbonylContact O-C 3.42Å; V1851-C1854 VanDerWaalsContact O-CA 3.31Å; V1851-C1854 WeakPolarHBondContact O-CA 3.31Å; V1851-C1854 VanDerWaalsContact O-CB 3.29Å; V1851-C1854 WeakPolarHBondContact O-CB 3.35Å; V1851-C1854 PolarHBondContact O-N 3.25Å; V1851-C1854 VanDerWaalsContact O-N 3.11Å; V1851-E1855 HydrophobicContact CG1-CG 4.25Å; V1851-E1855 WeakPolarHBondContact O-CG 3.48Å; V1851-E1855 PolarHBondContact O-N 3.25Å; V1851-F1872 HydrophobicContact CB-CD1 4.16Å; V1851-F1872 HydrophobicContact CB-CD2 4.32Å; V1851-F1872 HydrophobicContact CB-CE1 4.02Å; V1851-F1872 HydrophobicContact CB-CE2 4.3Å; V1851-F1872 HydrophobicContact CB-CG 4.29Å; V1851-F1872 HydrophobicContact CB-CZ 4.07Å; V1851-F1872 HydrophobicContact CG1-CB 4.23Å; V1851-F1872 HydrophobicContact CG1-CD1 3.99Å; V1851-F1872 HydrophobicContact CG1-CD2 4.42Å; V1851-F1872 HydrophobicContact CG1-CE1 4.35Å; V1851-F1872 HydrophobicContact CG1-CE2 4.01Å; V1851-F1872 HydrophobicContact CG1-CG 3.93Å; V1851-F1872 HydrophobicContact CG1-CZ 4.06Å; V1851-F1872 HydrophobicContact CG2-CB 4.07Å; V1851-F1872 HydrophobicContact CG2-CD1 4.14Å; V1851-F1872 HydrophobicContact CG2-CD2 3.93Å; V1851-F1872 HydrophobicContact CG2-CE1 4.04Å; V1851-F1872 HydrophobicContact CG2-CE2 3.87Å; V1851-F1872 VanDerWaalsContact CG2-CE2 3.46Å; V1851-F1872 HydrophobicContact CG2-CG 3.9Å; V1851-F1872 HydrophobicContact CG2-CZ 4.06Å |
| 1852 | D | 35.4 | Very low | 30.4 | Very low | 81.6 Ų | 81.6 | 95.4 Ų | 95.4 | 44% | 0.436 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.6 | -35.3 | 174.1 | -62.4 | -30.7 | 0 | 0 | 0 | 110.9 | R1848 S1849 C1854 E1855 | R1848-D1852 WeakPolarHBondContact O-CB 3.47Å; R1848-D1852 PolarHBondContact O-N 2.95Å; R1848-D1852 VanDerWaalsContact O-N 3.1Å; R1848-D1852 VanDerWaalsContact O-OD2 3.1Å; S1849-D1852 VanDerWaalsContact CA-OD2 3.31Å; S1849-D1852 WeakPolarHBondContact CA-OD2 3.22Å; S1849-D1852 PolarHBondContact N-OD2 3.03Å; S1849-D1852 PolarHBondContact O-N 2.77Å; D1852-C1854 VanDerWaalsContact C-N 3.31Å; D1852-C1854 PolarHBondContact O-N 3.24Å; D1852-E1855 WeakPolarHBondContact O-CB 3.4Å; D1852-E1855 PolarHBondContact O-N 3.09Å; D1852-E1855 VanDerWaalsContact O-N 3.1Å |
| 1853 | F | 31 | Very low | 30.4 | Very low | 113.2 Ų | 113.2 | 96 Ų | 96 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.1 | -32.3 | 173.3 | -156.4 | -93.5 | 0 | 0 | 0 | 113 | M1813 S1849 L1850 V1851 E1855 L1856 M1859 | M1813-F1853 HydrophobicContact SD-CD1 4.39Å; M1813-F1853 HydrophobicContact SD-CE1 4.09Å; S1849-F1853 VanDerWaalsContact O-CB 3.25Å; S1849-F1853 WeakPolarHBondContact O-CB 3.38Å; S1849-F1853 PolarHBondContact O-N 3.15Å; L1850-F1853 WeakPolarHBondContact O-CB 3.44Å; L1850-F1853 PolarHBondContact O-N 2.96Å; V1851-F1853 VanDerWaalsContact C-N 3.32Å; V1851-F1853 PolarHBondContact O-N 3.28Å; F1853-E1855 VanDerWaalsContact C-N 3.31Å; F1853-E1855 PolarHBondContact O-N 2.97Å; F1853-L1856 HydrophobicContact CD1-CD1 4.46Å; F1853-L1856 HydrophobicContact CD2-CD1 4.05Å; F1853-L1856 HydrophobicContact CE1-CD1 4.41Å; F1853-L1856 HydrophobicContact CE2-CD1 4.08Å; F1853-L1856 HydrophobicContact CG-CD1 4.3Å; F1853-L1856 HydrophobicContact CZ-CD1 4.13Å; F1853-L1856 WeakPolarHBondContact O-CB 3.4Å; F1853-L1856 PolarHBondContact O-N 3.35Å; F1853-M1859 HydrophobicContact CE1-SD 4.2Å |
| 1854 | C | 29 | Very low | 30.6 | Very low | 35 Ų | 35 | 96.2 Ų | 96.2 | 24% | 0.236 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -75.5 | -6.9 | 172.4 | -67 | 0 | 0 | 0 | 0 | 113.9 | L1850 V1851 D1852 L1856 H1860 C1865 K1869 | L1850-C1854 PolarHBondContact O-N 2.95Å; L1850-C1854 VanDerWaalsContact O-N 3.1Å; L1850-C1854 PolarHBondContact O-SG 3.2Å; L1850-C1854 VanDerWaalsContact O-SG 3.34Å; V1851-C1854 CarbonylContact O-C 3.42Å; V1851-C1854 VanDerWaalsContact O-CA 3.31Å; V1851-C1854 WeakPolarHBondContact O-CA 3.31Å; V1851-C1854 VanDerWaalsContact O-CB 3.29Å; V1851-C1854 WeakPolarHBondContact O-CB 3.35Å; V1851-C1854 PolarHBondContact O-N 3.25Å; V1851-C1854 VanDerWaalsContact O-N 3.11Å; D1852-C1854 VanDerWaalsContact C-N 3.31Å; D1852-C1854 PolarHBondContact O-N 3.24Å; C1854-L1856 VanDerWaalsContact C-N 3.31Å; C1854-H1860 PolarHBondContact O-ND1 3.3Å; C1854-C1865 HydrophobicContact CB-CB 4.38Å; C1854-K1869 PolarHBondContact O-NZ 3.14Å |
| 1855 | E | 29.8 | Very low | 30.8 | Very low | 116.2 Ų | 116.2 | 90.7 Ų | 90.7 | 54% | 0.543 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -3.2 | 173.3 | -63.1 | -150.6 | 138 | 0 | 0 | 113.4 | V1851 D1852 F1853 P1857 H1860 K1869 | V1851-E1855 HydrophobicContact CG1-CG 4.25Å; V1851-E1855 WeakPolarHBondContact O-CG 3.48Å; V1851-E1855 PolarHBondContact O-N 3.25Å; D1852-E1855 WeakPolarHBondContact O-CB 3.4Å; D1852-E1855 PolarHBondContact O-N 3.09Å; D1852-E1855 VanDerWaalsContact O-N 3.1Å; F1853-E1855 VanDerWaalsContact C-N 3.31Å; F1853-E1855 PolarHBondContact O-N 2.97Å; E1855-P1857 WeakPolarHBondContact O-CD 3.32Å; E1855-H1860 PolarHBondContact O-CE1 2.9Å; E1855-H1860 VanDerWaalsContact O-CE1 3.3Å; E1855-K1869 VanDerWaalsContact OE1-CE 3.23Å; E1855-K1869 WeakPolarHBondContact OE1-CE 3.34Å; E1855-K1869 IonicContact OE1-NZ 3.17Å; E1855-K1869 PolarHBondContact OE1-NZ 3.24Å |
| 1856 | L | 30.5 | Very low | 31.1 | Very low | 84.2 Ų | 84.2 | 85.7 Ų | 85.7 | 44% | 0.441 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -64.9 | 131 | 172.2 | -79.2 | 162.8 | 0 | 0 | 0 | 111.2 | F1853 C1854 S1858 M1859 H1860 | F1853-L1856 HydrophobicContact CD1-CD1 4.46Å; F1853-L1856 HydrophobicContact CD2-CD1 4.05Å; F1853-L1856 HydrophobicContact CE1-CD1 4.41Å; F1853-L1856 HydrophobicContact CE2-CD1 4.08Å; F1853-L1856 HydrophobicContact CG-CD1 4.3Å; F1853-L1856 HydrophobicContact CZ-CD1 4.13Å; F1853-L1856 WeakPolarHBondContact O-CB 3.4Å; F1853-L1856 PolarHBondContact O-N 3.35Å; C1854-L1856 VanDerWaalsContact C-N 3.31Å; L1856-S1858 PolarHBondContact O-N 2.91Å; L1856-M1859 PolarHBondContact O-N 3.1Å; L1856-H1860 PolarHBondContact O-ND1 3.11Å |
| 1857 | P | 28 | Very low | 31.5 | Very low | 117.8 Ų | 117.8 | 85.9 Ų | 85.9 | 77% | 0.765 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -13.7 | -172.1 | -26.8 | 34.8 | 0 | 0 | 0 | 116.3 | E1855 M1859 | E1855-P1857 WeakPolarHBondContact O-CD 3.32Å; P1857-M1859 VanDerWaalsContact C-N 3.31Å; P1857-M1859 PolarHBondContact O-N 2.98Å |
| 1858 | S | 30.8 | Very low | 31.7 | Very low | 100.6 Ų | 100.6 | 84.8 Ų | 84.8 | 70% | 0.703 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -11.3 | -178.2 | 52.3 | 0 | 0 | 0 | 0 | 114.8 | L1856 H1860 | L1856-S1858 PolarHBondContact O-N 2.91Å; S1858-H1860 PolarHBondContact O-N 3.49Å |
| 1859 | M | 27.1 | Very low | 32 | Very low | 82 Ų | 82 | 81.9 Ų | 81.9 | 40% | 0.404 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -104.5 | 28.6 | -178.2 | -80 | -107.3 | 171.8 | 0 | 0 | 113.9 | M1813 F1853 L1856 P1857 C1861 S1862 C1865 T1984 | M1813-M1859 HydrophobicContact CE-CE 3.6Å; M1813-M1859 HydrophobicContact CE-SD 4.08Å; M1813-M1859 HydrophobicContact CG-CE 3.97Å; M1813-M1859 HydrophobicContact SD-CE 3.56Å; M1813-M1859 VanDerWaalsContact SD-CE 3.56Å; F1853-M1859 HydrophobicContact CE1-SD 4.2Å; L1856-M1859 PolarHBondContact O-N 3.1Å; P1857-M1859 VanDerWaalsContact C-N 3.31Å; P1857-M1859 PolarHBondContact O-N 2.98Å; M1859-C1861 VanDerWaalsContact C-N 3.28Å; M1859-C1861 PolarHBondContact O-N 3.03Å; M1859-C1861 VanDerWaalsContact O-N 3.07Å; M1859-S1862 PolarHBondContact O-N 3.23Å; M1859-S1862 PolarHBondContact O-OG 3.32Å; M1859-C1865 WeakPolarHBondContact O-CB 3.31Å; M1859-C1865 PolarHBondContact O-SG 2.82Å; M1859-C1865 VanDerWaalsContact O-SG 3.34Å; M1859-T1984 HydrophobicContact CE-CG2 3.96Å |
| 1860 | H | 28 | Very low | 32.3 | Very low | 140.2 Ų | 140.2 | 81 Ų | 81 | 65% | 0.649 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 7.4 | -179.3 | -93.9 | -36.6 | 0 | 0 | 0 | 114.7 | C1854 E1855 L1856 S1858 S1862 | C1854-H1860 PolarHBondContact O-ND1 3.3Å; E1855-H1860 PolarHBondContact O-CE1 2.9Å; E1855-H1860 VanDerWaalsContact O-CE1 3.3Å; L1856-H1860 PolarHBondContact O-ND1 3.11Å; S1858-H1860 PolarHBondContact O-N 3.49Å; H1860-S1862 VanDerWaalsContact C-N 3.34Å; H1860-S1862 PolarHBondContact O-N 3.16Å |
| 1861 | C | 28.8 | Very low | 32.4 | Very low | 113.4 Ų | 113.4 | 80.4 Ų | 80.4 | 77% | 0.766 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 38.6 | -175.9 | -59.9 | 0 | 0 | 0 | 0 | 115.5 | M1859 | M1859-C1861 VanDerWaalsContact C-N 3.28Å; M1859-C1861 PolarHBondContact O-N 3.03Å; M1859-C1861 VanDerWaalsContact O-N 3.07Å |
| 1862 | S | 31.4 | Very low | 32.5 | Very low | 45.4 Ų | 45.4 | 82 Ų | 82 | 32% | 0.317 | 45% | 0.454 | S | S | . | . | trans | -112.6 | 137.1 | 171.6 | 115.2 | 0 | 0 | 0 | 0 | 112.6 | M1859 H1860 V1864 C1865 T1866 M1949 | M1859-S1862 PolarHBondContact O-N 3.23Å; M1859-S1862 PolarHBondContact O-OG 3.32Å; H1860-S1862 VanDerWaalsContact C-N 3.34Å; H1860-S1862 PolarHBondContact O-N 3.16Å; S1862-V1864 PolarHBondContact O-N 3.35Å; S1862-V1864 PolarHBondContact OG-N 3.08Å; S1862-C1865 WeakPolarHBondContact O-CA 3.33Å; S1862-C1865 VanDerWaalsContact O-CB 3.26Å; S1862-C1865 WeakPolarHBondContact O-CB 3.05Å; S1862-C1865 PolarHBondContact O-N 3Å; S1862-C1865 WeakPolarHBondContact OG-CB 3.33Å; S1862-C1865 PolarHBondContact OG-N 2.96Å; S1862-C1865 VanDerWaalsContact OG-N 3.15Å; S1862-C1865 PolarHBondContact OG-SG 2.93Å; S1862-T1866 PolarHBondContact O-N 3.25Å; S1862-T1866 VanDerWaalsContact O-N 3.13Å; S1862-T1866 PolarHBondContact O-OG1 3.01Å; S1862-T1866 VanDerWaalsContact O-OG1 3.08Å; S1862-M1949 VanDerWaalsContact CB-CE 3.44Å; S1862-M1949 WeakPolarHBondContact OG-CE 3.45Å | ||
| 1863 | S | 31.5 | Very low | 32.5 | Very low | 75.8 Ų | 75.8 | 85 Ų | 85 | 53% | 0.53 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.5 | -18 | 178.4 | 61.5 | 0 | 0 | 0 | 0 | 113.8 | T1866 K1867 | S1863-T1866 VanDerWaalsContact CA-OG1 3.29Å; S1863-T1866 WeakPolarHBondContact CA-OG1 3.37Å; S1863-T1866 PolarHBondContact O-OG1 2.93Å; S1863-K1867 VanDerWaalsContact O-CB 3.31Å; S1863-K1867 WeakPolarHBondContact O-CB 3.41Å; S1863-K1867 WeakPolarHBondContact O-CD 3.38Å; S1863-K1867 VanDerWaalsContact O-CG 3.28Å; S1863-K1867 WeakPolarHBondContact O-CG 3.36Å; S1863-K1867 PolarHBondContact O-N 2.85Å; S1863-K1867 VanDerWaalsContact O-N 3.08Å |
| 1864 | V | 32.2 | Very low | 32.5 | Very low | 64.2 Ų | 64.2 | 84.2 Ų | 84.2 | 39% | 0.389 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -81.5 | -36.9 | 174 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | S1862 T1866 K1867 L1868 T1912 T1916 M1949 T1953 | S1862-V1864 PolarHBondContact O-N 3.35Å; S1862-V1864 PolarHBondContact OG-N 3.08Å; V1864-T1866 VanDerWaalsContact C-N 3.35Å; V1864-T1866 PolarHBondContact O-N 3.11Å; V1864-K1867 HydrophobicContact CG2-CD 4.25Å; V1864-K1867 CarbonylContact O-C 3.6Å; V1864-K1867 PolarHBondContact O-N 2.99Å; V1864-K1867 VanDerWaalsContact O-N 3.15Å; V1864-L1868 HydrophobicContact CG1-CD1 4.15Å; V1864-L1868 HydrophobicContact CG1-CG 4.05Å; V1864-L1868 WeakPolarHBondContact O-CA 3.31Å; V1864-L1868 WeakPolarHBondContact O-CB 3.21Å; V1864-L1868 WeakPolarHBondContact O-CD1 3.3Å; V1864-L1868 WeakPolarHBondContact O-CG 3.42Å; V1864-L1868 PolarHBondContact O-N 3.19Å; V1864-T1912 HydrophobicContact CG1-CG2 4.4Å; V1864-T1916 HydrophobicContact CG2-CG2 4.07Å; V1864-M1949 HydrophobicContact CB-CB 4.3Å; V1864-M1949 HydrophobicContact CB-CE 3.66Å; V1864-M1949 HydrophobicContact CB-CG 3.71Å; V1864-M1949 HydrophobicContact CB-SD 3.83Å; V1864-M1949 HydrophobicContact CG1-CE 4.45Å; V1864-M1949 HydrophobicContact CG2-CB 3.93Å; V1864-M1949 HydrophobicContact CG2-CG 3.88Å; V1864-M1949 HydrophobicContact CG2-SD 4.46Å; V1864-T1953 HydrophobicContact CG1-CG2 4.11Å; V1864-T1953 HydrophobicContact CG2-CG2 4.36Å |
| 1865 | C | 34.4 | Very low | 32.6 | Very low | 30.2 Ų | 30.2 | 85.7 Ų | 85.7 | 20% | 0.204 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -65 | -41 | 173 | -87.8 | 0 | 0 | 0 | 0 | 111.4 | C1854 M1859 S1862 K1867 L1868 K1869 M1949 | C1854-C1865 HydrophobicContact CB-CB 4.38Å; M1859-C1865 WeakPolarHBondContact O-CB 3.31Å; M1859-C1865 PolarHBondContact O-SG 2.82Å; M1859-C1865 VanDerWaalsContact O-SG 3.34Å; S1862-C1865 WeakPolarHBondContact O-CA 3.33Å; S1862-C1865 VanDerWaalsContact O-CB 3.26Å; S1862-C1865 WeakPolarHBondContact O-CB 3.05Å; S1862-C1865 PolarHBondContact O-N 3Å; S1862-C1865 WeakPolarHBondContact OG-CB 3.33Å; S1862-C1865 PolarHBondContact OG-N 2.96Å; S1862-C1865 VanDerWaalsContact OG-N 3.15Å; S1862-C1865 PolarHBondContact OG-SG 2.93Å; C1865-K1867 VanDerWaalsContact C-N 3.27Å; C1865-K1867 PolarHBondContact O-N 3.06Å; C1865-L1868 PolarHBondContact O-N 3Å; C1865-K1869 VanDerWaalsContact O-CB 3.3Å; C1865-K1869 WeakPolarHBondContact O-CB 3.37Å; C1865-K1869 WeakPolarHBondContact O-CG 3.07Å; C1865-K1869 PolarHBondContact O-N 2.99Å; C1865-M1949 HydrophobicContact CB-CE 4.32Å; C1865-M1949 VanDerWaalsContact N-CE 3.29Å |
| 1866 | T | 36.5 | Very low | 32.6 | Very low | 80.8 Ų | 80.8 | 83.6 Ų | 83.6 | 50% | 0.496 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 173.5 | 18.7 | 0 | 0 | 0 | 0 | 112.4 | S1862 S1863 V1864 L1868 K1869 S1870 | S1862-T1866 PolarHBondContact O-N 3.25Å; S1862-T1866 VanDerWaalsContact O-N 3.13Å; S1862-T1866 PolarHBondContact O-OG1 3.01Å; S1862-T1866 VanDerWaalsContact O-OG1 3.08Å; S1863-T1866 VanDerWaalsContact CA-OG1 3.29Å; S1863-T1866 WeakPolarHBondContact CA-OG1 3.37Å; S1863-T1866 PolarHBondContact O-OG1 2.93Å; V1864-T1866 VanDerWaalsContact C-N 3.35Å; V1864-T1866 PolarHBondContact O-N 3.11Å; T1866-L1868 PolarHBondContact O-N 2.65Å; T1866-K1869 CarbonylContact O-C 2.99Å; T1866-K1869 WeakPolarHBondContact O-CB 3.47Å; T1866-K1869 PolarHBondContact O-N 3.27Å; T1866-S1870 WeakPolarHBondContact O-CB 3.41Å; T1866-S1870 PolarHBondContact O-N 3.08Å; T1866-S1870 VanDerWaalsContact O-N 3.14Å; T1866-S1870 PolarHBondContact O-OG 3.23Å |
| 1867 | K | 36.9 | Very low | 32.5 | Very low | 120.6 Ų | 120.6 | 86.1 Ų | 86.1 | 52% | 0.524 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.7 | -38.7 | 175.4 | -76.3 | 174.4 | 178.1 | 178.7 | 0 | 113.1 | S1863 V1864 C1865 K1869 S1870 L1871 T1912 | S1863-K1867 VanDerWaalsContact O-CB 3.31Å; S1863-K1867 WeakPolarHBondContact O-CB 3.41Å; S1863-K1867 WeakPolarHBondContact O-CD 3.38Å; S1863-K1867 VanDerWaalsContact O-CG 3.28Å; S1863-K1867 WeakPolarHBondContact O-CG 3.36Å; S1863-K1867 PolarHBondContact O-N 2.85Å; S1863-K1867 VanDerWaalsContact O-N 3.08Å; V1864-K1867 HydrophobicContact CG2-CD 4.25Å; V1864-K1867 CarbonylContact O-C 3.6Å; V1864-K1867 PolarHBondContact O-N 2.99Å; V1864-K1867 VanDerWaalsContact O-N 3.15Å; C1865-K1867 VanDerWaalsContact C-N 3.27Å; C1865-K1867 PolarHBondContact O-N 3.06Å; K1867-K1869 VanDerWaalsContact C-N 3.31Å; K1867-K1869 PolarHBondContact O-N 2.93Å; K1867-S1870 WeakPolarHBondContact CA-OG 3.18Å; K1867-S1870 CarbonylContact O-C 3.35Å; K1867-S1870 WeakPolarHBondContact O-CA 3.49Å; K1867-S1870 VanDerWaalsContact O-CB 3.3Å; K1867-S1870 WeakPolarHBondContact O-CB 3.27Å; K1867-S1870 PolarHBondContact O-N 3.18Å; K1867-S1870 VanDerWaalsContact O-N 3.09Å; K1867-S1870 PolarHBondContact O-OG 3Å; K1867-L1871 WeakPolarHBondContact O-CB 3.37Å; K1867-L1871 WeakPolarHBondContact O-CG 3.31Å; K1867-L1871 PolarHBondContact O-N 3.04Å; K1867-T1912 PolarHBondContact NZ-OG1 3.41Å |
| 1868 | L | 35.4 | Very low | 32.4 | Very low | 53.4 Ų | 53.4 | 84.9 Ų | 84.9 | 28% | 0.28 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 170.6 | -80.6 | 165.2 | 0 | 0 | 0 | 111.3 | F1847 L1850 V1864 C1865 T1866 S1870 L1871 F1872 | F1847-L1868 HydrophobicContact CE1-CD2 4.01Å; F1847-L1868 HydrophobicContact CZ-CD2 3.97Å; L1850-L1868 HydrophobicContact CD2-CD1 4.18Å; V1864-L1868 HydrophobicContact CG1-CD1 4.15Å; V1864-L1868 HydrophobicContact CG1-CG 4.05Å; V1864-L1868 WeakPolarHBondContact O-CA 3.31Å; V1864-L1868 WeakPolarHBondContact O-CB 3.21Å; V1864-L1868 WeakPolarHBondContact O-CD1 3.3Å; V1864-L1868 WeakPolarHBondContact O-CG 3.42Å; V1864-L1868 PolarHBondContact O-N 3.19Å; C1865-L1868 PolarHBondContact O-N 3Å; T1866-L1868 PolarHBondContact O-N 2.65Å; L1868-S1870 VanDerWaalsContact C-N 3.3Å; L1868-S1870 PolarHBondContact O-N 2.99Å; L1868-L1871 CarbonylContact O-C 3.59Å; L1868-L1871 WeakPolarHBondContact O-CB 3.37Å; L1868-L1871 PolarHBondContact O-N 3.13Å; L1868-F1872 VanDerWaalsContact O-CB 3.3Å; L1868-F1872 WeakPolarHBondContact O-CB 3.28Å; L1868-F1872 WeakPolarHBondContact O-CD2 3.42Å; L1868-F1872 PolarHBondContact O-N 3.13Å |
| 1869 | K | 37.8 | Very low | 32.2 | Very low | 87 Ų | 87 | 87 Ų | 87 | 38% | 0.378 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.3 | -32.2 | 174.1 | -135.9 | 170.2 | -176.9 | 170.1 | 0 | 112.7 | C1854 E1855 C1865 T1866 K1867 F1872 K1873 | C1854-K1869 PolarHBondContact O-NZ 3.14Å; E1855-K1869 VanDerWaalsContact OE1-CE 3.23Å; E1855-K1869 WeakPolarHBondContact OE1-CE 3.34Å; E1855-K1869 IonicContact OE1-NZ 3.17Å; E1855-K1869 PolarHBondContact OE1-NZ 3.24Å; C1865-K1869 VanDerWaalsContact O-CB 3.3Å; C1865-K1869 WeakPolarHBondContact O-CB 3.37Å; C1865-K1869 WeakPolarHBondContact O-CG 3.07Å; C1865-K1869 PolarHBondContact O-N 2.99Å; T1866-K1869 CarbonylContact O-C 2.99Å; T1866-K1869 WeakPolarHBondContact O-CB 3.47Å; T1866-K1869 PolarHBondContact O-N 3.27Å; K1867-K1869 VanDerWaalsContact C-N 3.31Å; K1867-K1869 PolarHBondContact O-N 2.93Å; K1869-F1872 WeakPolarHBondContact O-CB 3.23Å; K1869-F1872 PolarHBondContact O-N 3.34Å; K1869-K1873 WeakPolarHBondContact O-CB 3.22Å; K1869-K1873 WeakPolarHBondContact O-CG 3.29Å; K1869-K1873 PolarHBondContact O-N 3.04Å; K1869-K1873 VanDerWaalsContact O-N 3.13Å |
| 1870 | S | 39.9 | Very low | 32.2 | Very low | 52.8 Ų | 52.8 | 91 Ų | 91 | 37% | 0.369 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.4 | -43.5 | 172.8 | 30.9 | 0 | 0 | 0 | 0 | 112.2 | T1866 K1867 L1868 F1872 K1873 L1874 | T1866-S1870 WeakPolarHBondContact O-CB 3.41Å; T1866-S1870 PolarHBondContact O-N 3.08Å; T1866-S1870 VanDerWaalsContact O-N 3.14Å; T1866-S1870 PolarHBondContact O-OG 3.23Å; K1867-S1870 WeakPolarHBondContact CA-OG 3.18Å; K1867-S1870 CarbonylContact O-C 3.35Å; K1867-S1870 WeakPolarHBondContact O-CA 3.49Å; K1867-S1870 VanDerWaalsContact O-CB 3.3Å; K1867-S1870 WeakPolarHBondContact O-CB 3.27Å; K1867-S1870 PolarHBondContact O-N 3.18Å; K1867-S1870 VanDerWaalsContact O-N 3.09Å; K1867-S1870 PolarHBondContact O-OG 3Å; L1868-S1870 VanDerWaalsContact C-N 3.3Å; L1868-S1870 PolarHBondContact O-N 2.99Å; S1870-F1872 PolarHBondContact O-N 3.32Å; S1870-F1872 VanDerWaalsContact O-N 3.07Å; S1870-K1873 WeakPolarHBondContact O-CB 3.26Å; S1870-K1873 PolarHBondContact O-N 3.06Å; S1870-L1874 VanDerWaalsContact O-CB 3.31Å; S1870-L1874 WeakPolarHBondContact O-CB 3.35Å; S1870-L1874 WeakPolarHBondContact O-CD1 3.41Å; S1870-L1874 WeakPolarHBondContact O-CG 3.39Å; S1870-L1874 PolarHBondContact O-N 3.13Å |
| 1871 | L | 33.6 | Very low | 32.1 | Very low | 67.6 Ų | 67.6 | 89.7 Ų | 89.7 | 35% | 0.354 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 172.2 | -97.7 | 158.9 | 0 | 0 | 0 | 111.3 | L1840 K1867 L1868 K1873 L1874 C1875 M1905 I1909 | L1840-L1871 HydrophobicContact CD1-CD2 3.89Å; K1867-L1871 WeakPolarHBondContact O-CB 3.37Å; K1867-L1871 WeakPolarHBondContact O-CG 3.31Å; K1867-L1871 PolarHBondContact O-N 3.04Å; L1868-L1871 CarbonylContact O-C 3.59Å; L1868-L1871 WeakPolarHBondContact O-CB 3.37Å; L1868-L1871 PolarHBondContact O-N 3.13Å; L1871-K1873 PolarHBondContact O-N 3.09Å; L1871-L1874 HydrophobicContact CD2-CD1 4.2Å; L1871-L1874 VanDerWaalsContact O-CB 3.27Å; L1871-L1874 WeakPolarHBondContact O-CB 3.35Å; L1871-L1874 PolarHBondContact O-N 3.15Å; L1871-L1874 VanDerWaalsContact O-N 3.16Å; L1871-C1875 WeakPolarHBondContact O-CB 3.42Å; L1871-C1875 PolarHBondContact O-N 3.16Å; L1871-C1875 VanDerWaalsContact O-N 3.11Å; L1871-C1875 PolarHBondContact O-SG 3Å; L1871-C1875 VanDerWaalsContact O-SG 3.35Å; L1871-M1905 HydrophobicContact CD1-CE 3.6Å; L1871-M1905 HydrophobicContact CD1-SD 4.24Å; L1871-M1905 HydrophobicContact CD2-CB 4.24Å; L1871-M1905 HydrophobicContact CD2-CG 3.86Å; L1871-M1905 HydrophobicContact CD2-SD 3.82Å; L1871-M1905 HydrophobicContact CG-CE 4.49Å; L1871-I1909 HydrophobicContact CD1-CG1 4.22Å |
| 1872 | F | 34.5 | Very low | 31.9 | Very low | 59.2 Ų | 59.2 | 87.6 Ų | 87.6 | 26% | 0.26 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.4 | -42.3 | 176.7 | -129.9 | -95.4 | 0 | 0 | 0 | 112.9 | F1847 R1848 V1851 L1868 K1869 S1870 L1874 C1875 T1876 | F1847-F1872 VanDerWaalsContact C-CZ 3.49Å; F1847-F1872 HydrophobicContact CB-CE2 3.8Å; F1847-F1872 HydrophobicContact CB-CZ 4.32Å; F1847-F1872 HydrophobicContact CD1-CD2 4.42Å; F1847-F1872 HydrophobicContact CD1-CE2 4.1Å; F1847-F1872 HydrophobicContact CG-CE2 4.45Å; F1847-F1872 WeakPolarHBondContact O-CE2 3.46Å; F1847-F1872 WeakPolarHBondContact O-CZ 3.43Å; R1848-F1872 HydrophobicContact CB-CZ 4.34Å; R1848-F1872 HydrophobicContact CG-CE1 4.41Å; R1848-F1872 HydrophobicContact CG-CZ 4Å; V1851-F1872 HydrophobicContact CB-CD1 4.16Å; V1851-F1872 HydrophobicContact CB-CD2 4.32Å; V1851-F1872 HydrophobicContact CB-CE1 4.02Å; V1851-F1872 HydrophobicContact CB-CE2 4.3Å; V1851-F1872 HydrophobicContact CB-CG 4.29Å; V1851-F1872 HydrophobicContact CB-CZ 4.07Å; V1851-F1872 HydrophobicContact CG1-CB 4.23Å; V1851-F1872 HydrophobicContact CG1-CD1 3.99Å; V1851-F1872 HydrophobicContact CG1-CD2 4.42Å; V1851-F1872 HydrophobicContact CG1-CE1 4.35Å; V1851-F1872 HydrophobicContact CG1-CE2 4.01Å; V1851-F1872 HydrophobicContact CG1-CG 3.93Å; V1851-F1872 HydrophobicContact CG1-CZ 4.06Å; V1851-F1872 HydrophobicContact CG2-CB 4.07Å; V1851-F1872 HydrophobicContact CG2-CD1 4.14Å; V1851-F1872 HydrophobicContact CG2-CD2 3.93Å; V1851-F1872 HydrophobicContact CG2-CE1 4.04Å; V1851-F1872 HydrophobicContact CG2-CE2 3.87Å; V1851-F1872 VanDerWaalsContact CG2-CE2 3.46Å; V1851-F1872 HydrophobicContact CG2-CG 3.9Å; V1851-F1872 HydrophobicContact CG2-CZ 4.06Å; L1868-F1872 VanDerWaalsContact O-CB 3.3Å; L1868-F1872 WeakPolarHBondContact O-CB 3.28Å; L1868-F1872 WeakPolarHBondContact O-CD2 3.42Å; L1868-F1872 PolarHBondContact O-N 3.13Å; K1869-F1872 WeakPolarHBondContact O-CB 3.23Å; K1869-F1872 PolarHBondContact O-N 3.34Å; S1870-F1872 PolarHBondContact O-N 3.32Å; S1870-F1872 VanDerWaalsContact O-N 3.07Å; F1872-L1874 VanDerWaalsContact C-N 3.33Å; F1872-L1874 CarbonylContact O-C 3.59Å; F1872-L1874 PolarHBondContact O-N 3.03Å; F1872-L1874 VanDerWaalsContact O-N 3.1Å; F1872-C1875 CarbonylContact O-C 3.58Å; F1872-C1875 WeakPolarHBondContact O-CA 3.48Å; F1872-C1875 WeakPolarHBondContact O-CB 3.5Å; F1872-C1875 PolarHBondContact O-N 3.26Å; F1872-T1876 VanDerWaalsContact C-OG1 3.27Å; F1872-T1876 HydrophobicContact CD1-CG2 3.6Å; F1872-T1876 VanDerWaalsContact CD1-CG2 3.45Å; F1872-T1876 HydrophobicContact CE1-CG2 3.51Å; F1872-T1876 VanDerWaalsContact CE1-CG2 3.43Å; F1872-T1876 HydrophobicContact CG-CG2 4.2Å; F1872-T1876 HydrophobicContact CZ-CG2 4.11Å; F1872-T1876 WeakPolarHBondContact O-CA 3.38Å; F1872-T1876 WeakPolarHBondContact O-CB 3.35Å; F1872-T1876 VanDerWaalsContact O-CG2 3.32Å; F1872-T1876 WeakPolarHBondContact O-CG2 3.28Å; F1872-T1876 PolarHBondContact O-N 3.27Å; F1872-T1876 VanDerWaalsContact O-N 3.12Å; F1872-T1876 PolarHBondContact O-OG1 3.15Å |
| 1873 | K | 35.4 | Very low | 31.6 | Very low | 146.4 Ų | 146.4 | 91.9 Ų | 91.9 | 64% | 0.637 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.3 | -30.8 | 174.1 | -91.4 | -173.6 | 174.7 | -173.4 | 0 | 112.6 | K1869 S1870 L1871 C1875 T1876 L1877 | K1869-K1873 WeakPolarHBondContact O-CB 3.22Å; K1869-K1873 WeakPolarHBondContact O-CG 3.29Å; K1869-K1873 PolarHBondContact O-N 3.04Å; K1869-K1873 VanDerWaalsContact O-N 3.13Å; S1870-K1873 WeakPolarHBondContact O-CB 3.26Å; S1870-K1873 PolarHBondContact O-N 3.06Å; L1871-K1873 PolarHBondContact O-N 3.09Å; K1873-C1875 VanDerWaalsContact C-N 3.3Å; K1873-T1876 WeakPolarHBondContact CA-OG1 3.42Å; K1873-T1876 PolarHBondContact O-N 3.2Å; K1873-T1876 PolarHBondContact O-OG1 3.13Å; K1873-T1876 VanDerWaalsContact O-OG1 3.05Å; K1873-L1877 HydrophobicContact CB-CD1 4.45Å; K1873-L1877 WeakPolarHBondContact O-CD1 3.22Å; K1873-L1877 WeakPolarHBondContact O-CG 3.45Å; K1873-L1877 PolarHBondContact O-N 2.89Å |
| 1874 | L | 31.4 | Very low | 31.3 | Very low | 94.6 Ų | 94.6 | 96.6 Ų | 96.6 | 50% | 0.495 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.3 | -33.7 | 171.5 | -92 | 157.8 | 0 | 0 | 0 | 113.4 | L1841 S1870 L1871 F1872 T1876 L1877 V1898 | L1841-L1874 VanDerWaalsContact CD2-O 3.26Å; L1841-L1874 WeakPolarHBondContact CD2-O 3.3Å; S1870-L1874 VanDerWaalsContact O-CB 3.31Å; S1870-L1874 WeakPolarHBondContact O-CB 3.35Å; S1870-L1874 WeakPolarHBondContact O-CD1 3.41Å; S1870-L1874 WeakPolarHBondContact O-CG 3.39Å; S1870-L1874 PolarHBondContact O-N 3.13Å; L1871-L1874 HydrophobicContact CD2-CD1 4.2Å; L1871-L1874 VanDerWaalsContact O-CB 3.27Å; L1871-L1874 WeakPolarHBondContact O-CB 3.35Å; L1871-L1874 PolarHBondContact O-N 3.15Å; L1871-L1874 VanDerWaalsContact O-N 3.16Å; F1872-L1874 VanDerWaalsContact C-N 3.33Å; F1872-L1874 CarbonylContact O-C 3.59Å; F1872-L1874 PolarHBondContact O-N 3.03Å; F1872-L1874 VanDerWaalsContact O-N 3.1Å; L1874-T1876 VanDerWaalsContact C-N 3.33Å; L1874-T1876 PolarHBondContact O-N 2.69Å; L1874-L1877 VanDerWaalsContact O-O 3.11Å; L1874-V1898 HydrophobicContact CD2-CG2 3.84Å |
| 1875 | C | 30.1 | Very low | 30.8 | Very low | 67.2 Ų | 67.2 | 99.8 Ų | 99.8 | 45% | 0.454 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -85.7 | -11 | 179.1 | -65.3 | 0 | 0 | 0 | 0 | 114 | L1840 L1841 R1844 L1871 F1872 K1873 L1877 | L1840-C1875 VanDerWaalsContact CB-SG 3.5Å; L1840-C1875 VanDerWaalsContact CD2-SG 3.51Å; L1840-C1875 PolarHBondContact O-SG 2.94Å; L1841-C1875 VanDerWaalsContact CD2-O 3.32Å; L1841-C1875 WeakPolarHBondContact CD2-O 3.44Å; R1844-C1875 WeakPolarHBondContact CD-O 3.29Å; R1844-C1875 WeakPolarHBondContact CG-O 3.14Å; R1844-C1875 PolarHBondContact NE-O 3.4Å; R1844-C1875 VanDerWaalsContact NE-O 3.1Å; R1844-C1875 PolarHBondContact NH1-O 3.32Å; R1844-C1875 PolarHBondContact NH2-O 2.93Å; L1871-C1875 WeakPolarHBondContact O-CB 3.42Å; L1871-C1875 PolarHBondContact O-N 3.16Å; L1871-C1875 VanDerWaalsContact O-N 3.11Å; L1871-C1875 PolarHBondContact O-SG 3Å; L1871-C1875 VanDerWaalsContact O-SG 3.35Å; F1872-C1875 CarbonylContact O-C 3.58Å; F1872-C1875 WeakPolarHBondContact O-CA 3.48Å; F1872-C1875 WeakPolarHBondContact O-CB 3.5Å; F1872-C1875 PolarHBondContact O-N 3.26Å; K1873-C1875 VanDerWaalsContact C-N 3.3Å; C1875-L1877 PolarHBondContact O-N 3.48Å |
| 1876 | T | 30.1 | Very low | 30.3 | Very low | 71.2 Ų | 71.2 | 105.3 Ų | 105.3 | 44% | 0.437 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -112.4 | 15.3 | -173.3 | 59.5 | 0 | 0 | 0 | 0 | 114.5 | R1844 F1872 K1873 L1874 P1878 | R1844-T1876 HydrophobicContact CG-CG2 4.18Å; R1844-T1876 VanDerWaalsContact NH2-CA 3.31Å; R1844-T1876 PolarHBondContact NH2-O 2.96Å; F1872-T1876 VanDerWaalsContact C-OG1 3.27Å; F1872-T1876 HydrophobicContact CD1-CG2 3.6Å; F1872-T1876 VanDerWaalsContact CD1-CG2 3.45Å; F1872-T1876 HydrophobicContact CE1-CG2 3.51Å; F1872-T1876 VanDerWaalsContact CE1-CG2 3.43Å; F1872-T1876 HydrophobicContact CG-CG2 4.2Å; F1872-T1876 HydrophobicContact CZ-CG2 4.11Å; F1872-T1876 WeakPolarHBondContact O-CA 3.38Å; F1872-T1876 WeakPolarHBondContact O-CB 3.35Å; F1872-T1876 VanDerWaalsContact O-CG2 3.32Å; F1872-T1876 WeakPolarHBondContact O-CG2 3.28Å; F1872-T1876 PolarHBondContact O-N 3.27Å; F1872-T1876 VanDerWaalsContact O-N 3.12Å; F1872-T1876 PolarHBondContact O-OG1 3.15Å; K1873-T1876 WeakPolarHBondContact CA-OG1 3.42Å; K1873-T1876 PolarHBondContact O-N 3.2Å; K1873-T1876 PolarHBondContact O-OG1 3.13Å; K1873-T1876 VanDerWaalsContact O-OG1 3.05Å; L1874-T1876 VanDerWaalsContact C-N 3.33Å; L1874-T1876 PolarHBondContact O-N 2.69Å; T1876-P1878 VanDerWaalsContact O-CD 3.28Å; T1876-P1878 WeakPolarHBondContact O-CD 3.43Å; T1876-P1878 VanDerWaalsContact O-CG 3.32Å; T1876-P1878 WeakPolarHBondContact O-CG 3.4Å; T1876-P1878 VanDerWaalsContact O-N 3.16Å |
| 1877 | L | 27.7 | Very low | 29.6 | Very low | 137 Ų | 137 | 107.1 Ų | 107.1 | 72% | 0.717 | 58% | 0.583 | S | S | * | * | trans | -72.1 | 124.2 | 162.5 | -92.8 | 149.1 | 0 | 0 | 0 | 109.3 | R1844 K1873 L1874 C1875 | R1844-L1877 PolarHBondContact NH2-O 3.28Å; K1873-L1877 HydrophobicContact CB-CD1 4.45Å; K1873-L1877 WeakPolarHBondContact O-CD1 3.22Å; K1873-L1877 WeakPolarHBondContact O-CG 3.45Å; K1873-L1877 PolarHBondContact O-N 2.89Å; L1874-L1877 VanDerWaalsContact O-O 3.11Å; C1875-L1877 PolarHBondContact O-N 3.48Å | ||
| 1878 | P | 26.7 | Very low | 29 | Very low | 92.6 Ų | 92.6 | 108.1 Ų | 108.1 | 60% | 0.601 | 60% | 0.599 | S | S | * | * | trans | -103.6 | 142.9 | -164.2 | 28.3 | -17.6 | 0 | 0 | 0 | 112.9 | T1876 E1880 | T1876-P1878 VanDerWaalsContact O-CD 3.28Å; T1876-P1878 WeakPolarHBondContact O-CD 3.43Å; T1876-P1878 VanDerWaalsContact O-CG 3.32Å; T1876-P1878 WeakPolarHBondContact O-CG 3.4Å; T1876-P1878 VanDerWaalsContact O-N 3.16Å; P1878-E1880 HydrophobicContact CB-CB 4.01Å; P1878-E1880 HydrophobicContact CB-CG 3.88Å; P1878-E1880 PolarHBondContact O-N 3.31Å | ||
| 1879 | N | 27.7 | Very low | 28.3 | Very low | 145.6 Ų | 145.6 | 109.9 Ų | 109.9 | 78% | 0.779 | 62% | 0.623 | S | S | * | * | trans | -98.2 | 77.6 | 163.9 | -74.2 | -13.9 | 0 | 0 | 0 | 112.2 | S1881 | N1879-S1881 VanDerWaalsContact C-N 3.31Å; N1879-S1881 PolarHBondContact O-N 2.93Å | ||
| 1880 | E | 26.1 | Very low | 27.6 | Very low | 166.6 Ų | 166.6 | 110.8 Ų | 110.8 | 78% | 0.779 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 49.9 | 171.1 | -69.2 | -173.8 | 146.8 | 0 | 0 | 112.6 | R1848 P1878 | R1848-E1880 IonicContact CZ-OE1 2.71Å; R1848-E1880 IonicContact NH1-OE1 2.65Å; R1848-E1880 PolarHBondContact NH1-OE1 3.05Å; R1848-E1880 IonicContact NH2-OE1 2.65Å; R1848-E1880 PolarHBondContact NH2-OE1 3.5Å; R1848-E1880 IonicContact NH2-OE2 3.42Å; P1878-E1880 HydrophobicContact CB-CB 4.01Å; P1878-E1880 HydrophobicContact CB-CG 3.88Å; P1878-E1880 PolarHBondContact O-N 3.31Å |
| 1881 | S | 26.2 | Very low | 26.8 | Very low | 111.8 Ų | 111.8 | 111.4 Ų | 111.4 | 78% | 0.782 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 70.2 | 176.6 | 64.2 | 0 | 0 | 0 | 0 | 117.3 | N1879 | N1879-S1881 VanDerWaalsContact C-N 3.31Å; N1879-S1881 PolarHBondContact O-N 2.93Å |
| 1882 | G | 24 | Very low | 26.3 | Very low | 69.6 Ų | 69.6 | 115.7 Ų | 115.7 | 72% | 0.718 | 68% | 0.684 | S | S | * | * | trans | 106.9 | 72 | 165.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | H1884 | G1882-H1884 PolarHBondContact O-N 3Š| ||
| 1883 | L | 26.2 | Very low | 25.9 | Very low | 136.2 Ų | 136.2 | 119 Ų | 119 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | trans | -87.1 | 52.8 | 166.2 | -104.9 | 139.9 | 0 | 0 | 0 | 113.6 | I1886 | L1883-I1886 HydrophobicContact CD2-CB 3.79Å; L1883-I1886 HydrophobicContact CD2-CD1 3.71Å; L1883-I1886 HydrophobicContact CD2-CG1 3.88Å; L1883-I1886 HydrophobicContact CG-CD1 3.99Å; L1883-I1886 HydrophobicContact CG-CG1 4.48Å | ||
| 1884 | H | 23.9 | Very low | 25.5 | Very low | 175 Ų | 175 | 119.4 Ų | 119.4 | 81% | 0.81 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -105.7 | 120.1 | 153.1 | -80.7 | -61.9 | 0 | 0 | 0 | 110 | G1882 I1886 | G1882-H1884 PolarHBondContact O-N 3Å; H1884-I1886 PolarHBondContact O-N 2.9Å |
| 1885 | D | 22.4 | Very low | 25.1 | Very low | 130.6 Ų | 130.6 | 118.5 Ų | 118.5 | 70% | 0.698 | 73% | 0.731 | S | S | * | * | trans | 47.8 | 98.4 | 157.4 | -67.6 | -34.8 | 0 | 0 | 0 | 115.8 | Y1058 T1887 | Y1058-D1885 VanDerWaalsContact CE1-OD2 3.26Å; Y1058-D1885 WeakPolarHBondContact CE1-OD2 3.45Å; Y1058-D1885 PolarHBondContact OH-OD2 3.01Å; D1885-T1887 PolarHBondContact O-N 3.27Å; D1885-T1887 VanDerWaalsContact O-N 3.12Å | ||
| 1886 | I | 24 | Very low | 25.1 | Very low | 146.4 Ų | 146.4 | 119.1 Ų | 119.1 | 75% | 0.751 | 73% | 0.733 | S | S | * | * | trans | -102.1 | 87.8 | 157.4 | -55.5 | 173.9 | 0 | 0 | 0 | 110.4 | L1883 H1884 V1888 | L1883-I1886 HydrophobicContact CD2-CB 3.79Å; L1883-I1886 HydrophobicContact CD2-CD1 3.71Å; L1883-I1886 HydrophobicContact CD2-CG1 3.88Å; L1883-I1886 HydrophobicContact CG-CD1 3.99Å; L1883-I1886 HydrophobicContact CG-CG1 4.48Å; H1884-I1886 PolarHBondContact O-N 2.9Å; I1886-V1888 HydrophobicContact CG2-CG2 4.09Å; I1886-V1888 PolarHBondContact O-N 2.83Å | ||
| 1887 | T | 22.1 | Very low | 24.9 | Very low | 117 Ų | 117 | 117.4 Ų | 117.4 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | trans | -88 | 137.6 | 149.9 | 38.2 | 0 | 0 | 0 | 0 | 108.8 | D1885 A1889 | D1885-T1887 PolarHBondContact O-N 3.27Å; D1885-T1887 VanDerWaalsContact O-N 3.12Å; T1887-A1889 VanDerWaalsContact C-N 3.26Å; T1887-A1889 PolarHBondContact O-N 2.97Å | ||
| 1888 | V | 23.6 | Very low | 25 | Very low | 142 Ų | 142 | 115.2 Ų | 115.2 | 86% | 0.861 | 72% | 0.721 | S | S | * | * | trans | -50.8 | 101.4 | 170.5 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | I1886 A1890 | I1886-V1888 HydrophobicContact CG2-CG2 4.09Å; I1886-V1888 PolarHBondContact O-N 2.83Å; V1888-A1890 PolarHBondContact O-N 3.25Å | ||
| 1889 | A | 21.9 | Very low | 25.2 | Very low | 92.4 Ų | 92.4 | 114.5 Ų | 114.5 | 76% | 0.764 | 72% | 0.718 | S | S | * | * | trans | -101.7 | 122 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | T1887 G1891 | T1887-A1889 VanDerWaalsContact C-N 3.26Å; T1887-A1889 PolarHBondContact O-N 2.97Å; A1889-G1891 PolarHBondContact O-N 3.21Å | ||
| 1890 | A | 22.7 | Very low | 25.4 | Very low | 105.2 Ų | 105.2 | 111.9 Ų | 111.9 | 87% | 0.869 | 70% | 0.702 | S | S | * | * | trans | -111.8 | 90.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1888 | V1888-A1890 PolarHBondContact O-N 3.25Š| ||
| 1891 | G | 22.1 | Very low | 25.7 | Very low | 64.8 Ų | 64.8 | 106.7 Ų | 106.7 | 67% | 0.668 | 68% | 0.678 | S | S | * | * | trans | 164.2 | 115.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1889 T1893 | A1889-G1891 PolarHBondContact O-N 3.21Å; G1891-T1893 PolarHBondContact O-N 2.72Å; G1891-T1893 VanDerWaalsContact O-N 3.11Å | ||
| 1892 | D | 24.7 | Very low | 26 | Very low | 158.8 Ų | 158.8 | 104.6 Ų | 104.6 | 85% | 0.849 | 66% | 0.658 | S | S | * | * | trans | -36.8 | 120.2 | 168.1 | -68.1 | -44.1 | 0 | 0 | 0 | 115 | ||||
| 1893 | T | 24.9 | Very low | 26.4 | Very low | 128.4 Ų | 128.4 | 104 Ų | 104 | 79% | 0.788 | 64% | 0.643 | S | S | * | * | S | Bend | trans | 145.5 | 109.9 | 146 | 36.1 | 0 | 0 | 0 | 0 | 114.9 | G1891 G1895 | G1891-T1893 PolarHBondContact O-N 2.72Å; G1891-T1893 VanDerWaalsContact O-N 3.11Å; T1893-G1895 PolarHBondContact O-N 3.18Å |
| 1894 | N | 26.7 | Very low | 26.8 | Very low | 155.4 Ų | 155.4 | 102.2 Ų | 102.2 | 83% | 0.831 | 63% | 0.634 | S | S | * | * | trans | 57.5 | 41.4 | 150 | -64.3 | -13.7 | 0 | 0 | 0 | 117.6 | V1896 | N1894-V1896 VanDerWaalsContact C-N 3.27Å; N1894-V1896 PolarHBondContact O-N 3.18Å | ||
| 1895 | G | 24.5 | Very low | 27.2 | Very low | 73.8 Ų | 73.8 | 96.9 Ų | 96.9 | 76% | 0.761 | 61% | 0.61 | S | S | * | * | trans | -69.1 | 116.6 | 166 | 0 | 0 | 0 | 0 | 0 | 111.1 | T1893 G1897 S1899 | T1893-G1895 PolarHBondContact O-N 3.18Å; G1895-G1897 PolarHBondContact O-N 3.12Å; G1895-G1897 VanDerWaalsContact O-N 3.07Å; G1895-S1899 PolarHBondContact O-OG 2.82Å | ||
| 1896 | V | 28.4 | Very low | 27.8 | Very low | 81.6 Ų | 81.6 | 94.5 Ų | 94.5 | 50% | 0.495 | 60% | 0.597 | S | S | . | * | trans | -74 | 103.6 | 172.9 | 176.2 | 0 | 0 | 0 | 0 | 108.5 | D1832 I1834 N1894 Q1900 I1901 | D1832-V1896 WeakPolarHBondContact OD1-CG2 3.24Å; I1834-V1896 HydrophobicContact CB-CG1 3.7Å; I1834-V1896 HydrophobicContact CD1-CG1 4.16Å; I1834-V1896 HydrophobicContact CG1-CG1 3.57Å; N1894-V1896 VanDerWaalsContact C-N 3.27Å; N1894-V1896 PolarHBondContact O-N 3.18Å; V1896-Q1900 HydrophobicContact CB-CB 4.26Å; V1896-Q1900 HydrophobicContact CG1-CB 3.9Å; V1896-Q1900 HydrophobicContact CG1-CG 4.16Å; V1896-Q1900 HydrophobicContact CG2-CB 3.7Å; V1896-I1901 HydrophobicContact CB-CG1 4.43Å; V1896-I1901 HydrophobicContact CG1-CD1 4.33Å; V1896-I1901 HydrophobicContact CG1-CG1 4.19Å | ||
| 1897 | G | 27.2 | Very low | 28.2 | Very low | 35.6 Ų | 35.6 | 90.8 Ų | 90.8 | 37% | 0.367 | 58% | 0.582 | S | S | . | * | trans | -67.4 | 163.8 | -173 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1834 G1895 S1899 Q1900 I1901 | I1834-G1897 VanDerWaalsContact CB-O 3.27Å; I1834-G1897 WeakPolarHBondContact CB-O 3.47Å; I1834-G1897 WeakPolarHBondContact CG2-O 3.27Å; I1834-G1897 CarbonylContact O-C 3.59Å; G1895-G1897 PolarHBondContact O-N 3.12Å; G1895-G1897 VanDerWaalsContact O-N 3.07Å; G1897-S1899 VanDerWaalsContact C-N 3.31Å; G1897-S1899 VanDerWaalsContact CA-N 3.27Å; G1897-S1899 PolarHBondContact N-OG 3.04Å; G1897-S1899 PolarHBondContact O-N 3.12Å; G1897-S1899 VanDerWaalsContact O-N 3.12Å; G1897-Q1900 WeakPolarHBondContact O-CA 3.25Å; G1897-Q1900 WeakPolarHBondContact O-CB 3.36Å; G1897-Q1900 PolarHBondContact O-N 3.15Å; G1897-I1901 PolarHBondContact O-N 3.06Å; G1897-I1901 VanDerWaalsContact O-N 3.11Å | ||
| 1898 | V | 29.6 | Very low | 28.8 | Very low | 90.2 Ų | 90.2 | 88.8 Ų | 88.8 | 55% | 0.547 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.3 | -21.4 | 173.5 | -173.3 | 0 | 0 | 0 | 0 | 111.3 | I1834 D1835 L1837 L1874 Q1900 I1901 I1902 | I1834-V1898 VanDerWaalsContact C-C 3.45Å; I1834-V1898 CarbonylContact O-C 3.57Å; I1834-V1898 WeakPolarHBondContact O-CA 3.43Å; D1835-V1898 PolarHBondContact N-O 2.72Å; L1837-V1898 HydrophobicContact CB-CG1 4.02Å; L1837-V1898 HydrophobicContact CD1-CB 4.08Å; L1837-V1898 HydrophobicContact CD1-CG1 3.51Å; L1837-V1898 HydrophobicContact CD2-CG1 3.51Å; L1837-V1898 HydrophobicContact CG-CG1 4.3Å; L1874-V1898 HydrophobicContact CD2-CG2 3.84Å; V1898-Q1900 VanDerWaalsContact C-N 3.3Å; V1898-Q1900 PolarHBondContact O-N 3.1Å; V1898-I1901 VanDerWaalsContact CG1-O 3.27Å; V1898-I1901 WeakPolarHBondContact CG1-O 3.49Å; V1898-I1901 WeakPolarHBondContact O-CB 3.42Å; V1898-I1901 PolarHBondContact O-N 3.04Å; V1898-I1901 VanDerWaalsContact O-N 3.13Å; V1898-I1902 HydrophobicContact CG1-CD1 4.2Å; V1898-I1902 HydrophobicContact CG1-CG1 4.16Å; V1898-I1902 VanDerWaalsContact O-CB 3.26Å; V1898-I1902 WeakPolarHBondContact O-CB 3.43Å; V1898-I1902 WeakPolarHBondContact O-CD1 3.05Å; V1898-I1902 WeakPolarHBondContact O-CG1 3.31Å; V1898-I1902 PolarHBondContact O-N 3.29Å |
| 1899 | S | 30.1 | Very low | 29.1 | Very low | 76.8 Ų | 76.8 | 84.8 Ų | 84.8 | 54% | 0.537 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -73.4 | -24.3 | 175.1 | 59.3 | 0 | 0 | 0 | 0 | 114.9 | E1833 I1834 D1835 G1895 G1897 I1901 I1902 S1903 | E1833-S1899 WeakPolarHBondContact OE2-CB 3.39Å; I1834-S1899 VanDerWaalsContact C-C 3.44Å; I1834-S1899 PolarHBondContact O-N 2.62Å; D1835-S1899 VanDerWaalsContact OD1-CA 3.26Å; D1835-S1899 WeakPolarHBondContact OD1-CA 3.38Å; D1835-S1899 VanDerWaalsContact OD1-CB 3.31Å; D1835-S1899 WeakPolarHBondContact OD1-CB 3.34Å; G1895-S1899 PolarHBondContact O-OG 2.82Å; G1897-S1899 VanDerWaalsContact C-N 3.31Å; G1897-S1899 VanDerWaalsContact CA-N 3.27Å; G1897-S1899 PolarHBondContact N-OG 3.04Å; G1897-S1899 PolarHBondContact O-N 3.12Å; G1897-S1899 VanDerWaalsContact O-N 3.12Å; S1899-I1901 VanDerWaalsContact C-N 3.31Å; S1899-I1901 PolarHBondContact O-N 3.09Å; S1899-I1902 CarbonylContact O-C 3.57Å; S1899-I1902 WeakPolarHBondContact O-CB 3.21Å; S1899-I1902 PolarHBondContact O-N 3Å; S1899-I1902 VanDerWaalsContact O-N 3.14Å; S1899-S1903 WeakPolarHBondContact O-CB 3.46Å; S1899-S1903 PolarHBondContact O-N 3.3Å; S1899-S1903 VanDerWaalsContact O-N 3.09Å; S1899-S1903 PolarHBondContact O-OG 2.83Å; S1899-S1903 VanDerWaalsContact O-OG 3.12Å |
| 1900 | Q | 32.4 | Very low | 29.6 | Very low | 92.6 Ų | 92.6 | 85 Ų | 85 | 43% | 0.433 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -85.1 | 0 | 166.4 | -155 | 141.8 | 7.5 | 0 | 0 | 115.2 | D1832 E1833 I1834 D1835 V1896 G1897 V1898 S1903 N1904 | D1832-Q1900 PolarHBondContact O-NE2 3.38Å; E1833-Q1900 CarbonylContact C-O 3.12Å; E1833-Q1900 WeakPolarHBondContact CA-O 3.41Å; E1833-Q1900 HydrophobicContact CB-CG 4.38Å; E1833-Q1900 VanDerWaalsContact CB-O 3.24Å; E1833-Q1900 WeakPolarHBondContact CB-O 3.1Å; E1833-Q1900 HydrophobicContact CG-CG 4.15Å; E1833-Q1900 CarbonylContact O-C 3.58Å; I1834-Q1900 PolarHBondContact N-O 3.34Å; I1834-Q1900 VanDerWaalsContact N-O 3.11Å; I1834-Q1900 PolarHBondContact O-N 2.86Å; D1835-Q1900 CarbonylContact C-O 3.49Å; D1835-Q1900 VanDerWaalsContact CA-N 3.25Å; D1835-Q1900 HydrophobicContact CB-CB 4.21Å; D1835-Q1900 VanDerWaalsContact CB-N 3.31Å; D1835-Q1900 CarbonylContact O-C 3.15Å; D1835-Q1900 VanDerWaalsContact O-O 3.08Å; V1896-Q1900 HydrophobicContact CB-CB 4.26Å; V1896-Q1900 HydrophobicContact CG1-CB 3.9Å; V1896-Q1900 HydrophobicContact CG1-CG 4.16Å; V1896-Q1900 HydrophobicContact CG2-CB 3.7Å; G1897-Q1900 WeakPolarHBondContact O-CA 3.25Å; G1897-Q1900 WeakPolarHBondContact O-CB 3.36Å; G1897-Q1900 PolarHBondContact O-N 3.15Å; V1898-Q1900 VanDerWaalsContact C-N 3.3Å; V1898-Q1900 PolarHBondContact O-N 3.1Å; Q1900-S1903 WeakPolarHBondContact CA-OG 3.45Å; Q1900-S1903 WeakPolarHBondContact O-CB 3.4Å; Q1900-S1903 PolarHBondContact O-N 2.82Å; Q1900-S1903 PolarHBondContact O-OG 3.32Å; Q1900-S1903 VanDerWaalsContact O-OG 3.11Å; Q1900-N1904 WeakPolarHBondContact CG-ND2 3.11Å; Q1900-N1904 WeakPolarHBondContact O-CB 3.41Å; Q1900-N1904 VanDerWaalsContact O-CG 3.22Å; Q1900-N1904 PolarHBondContact O-N 3.21Å; Q1900-N1904 VanDerWaalsContact O-N 3.13Å; Q1900-N1904 PolarHBondContact O-ND2 2.99Å; Q1900-N1904 VanDerWaalsContact O-ND2 3.09Å; Q1900-N1904 PolarHBondContact O-OD1 3.1Å |
| 1901 | I | 33.3 | Very low | 30 | Very low | 56.6 Ų | 56.6 | 84.2 Ų | 84.2 | 29% | 0.29 | 52% | 0.516 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -56.5 | -170.6 | 0 | 0 | 0 | 114.3 | E1833 I1834 D1835 K1836 L1837 V1896 G1897 V1898 S1899 S1903 N1904 M1905 | E1833-I1901 WeakPolarHBondContact O-CG1 3.46Å; E1833-I1901 PolarHBondContact O-N 2.87Å; I1834-I1901 CarbonylContact C-O 3.43Å; I1834-I1901 HydrophobicContact CB-CB 4.08Å; I1834-I1901 HydrophobicContact CB-CG1 4.32Å; I1834-I1901 HydrophobicContact CG2-CB 3.71Å; I1834-I1901 HydrophobicContact CG2-CG1 4.11Å; I1834-I1901 HydrophobicContact CG2-CG2 4.34Å; I1834-I1901 CarbonylContact O-C 3.54Å; I1834-I1901 WeakPolarHBondContact O-CA 3.33Å; D1835-I1901 PolarHBondContact N-O 3.19Å; D1835-I1901 PolarHBondContact O-N 2.84Å; D1835-I1901 VanDerWaalsContact O-N 3.12Å; K1836-I1901 VanDerWaalsContact CB-CA 3.41Å; K1836-I1901 HydrophobicContact CB-CB 4.14Å; K1836-I1901 HydrophobicContact CB-CD1 4.25Å; K1836-I1901 HydrophobicContact CB-CG1 4.31Å; K1836-I1901 HydrophobicContact CD-CD1 3.64Å; K1836-I1901 HydrophobicContact CD-CG1 3.85Å; K1836-I1901 HydrophobicContact CG-CB 4.44Å; K1836-I1901 HydrophobicContact CG-CD1 4.35Å; K1836-I1901 HydrophobicContact CG-CG1 4.25Å; K1836-I1901 VanDerWaalsContact CG-N 3.27Å; K1836-I1901 CarbonylContact O-C 3.54Å; K1836-I1901 VanDerWaalsContact O-CA 3.22Å; K1836-I1901 WeakPolarHBondContact O-CA 3.13Å; K1836-I1901 WeakPolarHBondContact O-CB 3.32Å; K1836-I1901 WeakPolarHBondContact O-CG2 3.42Å; L1837-I1901 HydrophobicContact CB-CG2 4.42Å; L1837-I1901 WeakPolarHBondContact CB-O 3.09Å; L1837-I1901 HydrophobicContact CD1-CG2 4.07Å; V1896-I1901 HydrophobicContact CB-CG1 4.43Å; V1896-I1901 HydrophobicContact CG1-CD1 4.33Å; V1896-I1901 HydrophobicContact CG1-CG1 4.19Å; G1897-I1901 PolarHBondContact O-N 3.06Å; G1897-I1901 VanDerWaalsContact O-N 3.11Å; V1898-I1901 VanDerWaalsContact CG1-O 3.27Å; V1898-I1901 WeakPolarHBondContact CG1-O 3.49Å; V1898-I1901 WeakPolarHBondContact O-CB 3.42Å; V1898-I1901 PolarHBondContact O-N 3.04Å; V1898-I1901 VanDerWaalsContact O-N 3.13Å; S1899-I1901 VanDerWaalsContact C-N 3.31Å; S1899-I1901 PolarHBondContact O-N 3.09Å; I1901-S1903 VanDerWaalsContact C-N 3.31Å; I1901-S1903 PolarHBondContact O-N 3.48Å; I1901-N1904 WeakPolarHBondContact O-CB 3.46Å; I1901-N1904 PolarHBondContact O-N 3.14Å; I1901-N1904 VanDerWaalsContact O-N 3.07Å; I1901-M1905 HydrophobicContact CD1-CE 4.36Å; I1901-M1905 HydrophobicContact CG2-CE 3.61Å; I1901-M1905 VanDerWaalsContact CG2-CE 3.4Å; I1901-M1905 HydrophobicContact CG2-SD 4.38Å; I1901-M1905 WeakPolarHBondContact O-CE 3.21Å; I1901-M1905 WeakPolarHBondContact O-CG 3.33Å; I1901-M1905 PolarHBondContact O-N 3.21Å | |
| 1902 | I | 30.6 | Very low | 30.4 | Very low | 67.2 Ų | 67.2 | 84.1 Ų | 84.1 | 35% | 0.345 | 50% | 0.502 | S | S | . | . | H | α-helix | 0 | -55.3 | 0 | -66.8 | 168.5 | 0 | 0 | 0 | 115 | F1827 D1835 K1836 L1837 I1838 L1840 V1898 S1899 N1904 M1905 L1906 | F1827-I1902 HydrophobicContact CZ-CG2 4.5Å; D1835-I1902 HydrophobicContact CB-CB 4.05Å; D1835-I1902 VanDerWaalsContact CG-CB 3.41Å; D1835-I1902 VanDerWaalsContact OD1-CB 3.26Å; D1835-I1902 WeakPolarHBondContact OD1-CB 2.95Å; D1835-I1902 WeakPolarHBondContact OD1-CG2 3.43Å; D1835-I1902 WeakPolarHBondContact OD2-CG2 3.12Å; K1836-I1902 VanDerWaalsContact C-C 3.49Å; K1836-I1902 CarbonylContact C-O 2.87Å; K1836-I1902 VanDerWaalsContact C-O 3.24Å; K1836-I1902 VanDerWaalsContact CA-N 3.26Å; K1836-I1902 WeakPolarHBondContact CA-O 3.49Å; K1836-I1902 PolarHBondContact N-O 2.87Å; L1837-I1902 HydrophobicContact CB-CD1 3.87Å; L1837-I1902 HydrophobicContact CB-CG1 3.93Å; L1837-I1902 VanDerWaalsContact CB-N 3.28Å; L1837-I1902 HydrophobicContact CD1-CD1 3.68Å; L1837-I1902 HydrophobicContact CG-CD1 4.4Å; L1837-I1902 PolarHBondContact N-O 3.39Å; I1838-I1902 HydrophobicContact CD1-CD1 4.01Å; I1838-I1902 HydrophobicContact CD1-CG1 4.08Å; I1838-I1902 HydrophobicContact CD1-CG2 3.81Å; I1838-I1902 HydrophobicContact CG1-CB 4.26Å; I1838-I1902 HydrophobicContact CG1-CD1 4.02Å; I1838-I1902 HydrophobicContact CG1-CG1 3.61Å; I1838-I1902 HydrophobicContact CG1-CG2 3.89Å; L1840-I1902 HydrophobicContact CD1-CD1 4.08Å; L1840-I1902 HydrophobicContact CD1-CG1 3.99Å; V1898-I1902 HydrophobicContact CG1-CD1 4.2Å; V1898-I1902 HydrophobicContact CG1-CG1 4.16Å; V1898-I1902 VanDerWaalsContact O-CB 3.26Å; V1898-I1902 WeakPolarHBondContact O-CB 3.43Å; V1898-I1902 WeakPolarHBondContact O-CD1 3.05Å; V1898-I1902 WeakPolarHBondContact O-CG1 3.31Å; V1898-I1902 PolarHBondContact O-N 3.29Å; S1899-I1902 CarbonylContact O-C 3.57Å; S1899-I1902 WeakPolarHBondContact O-CB 3.21Å; S1899-I1902 PolarHBondContact O-N 3Å; S1899-I1902 VanDerWaalsContact O-N 3.14Å; I1902-N1904 VanDerWaalsContact C-N 3.28Å; I1902-N1904 PolarHBondContact O-N 3.26Å; I1902-M1905 PolarHBondContact O-N 3.16Å; I1902-M1905 VanDerWaalsContact O-N 3.11Å; I1902-L1906 WeakPolarHBondContact O-CB 3.06Å; I1902-L1906 PolarHBondContact O-N 2.97Å | |
| 1903 | S | 33.4 | Very low | 30.6 | Very low | 57.2 Ų | 57.2 | 78.6 Ų | 78.6 | 40% | 0.4 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.7 | -44.7 | 178.2 | 62.8 | 0 | 0 | 0 | 0 | 114 | D1835 K1836 S1899 Q1900 I1901 M1905 P1907 | D1835-S1903 VanDerWaalsContact CG-N 3.3Å; D1835-S1903 CarbonylContact O-C 3.57Å; D1835-S1903 WeakPolarHBondContact O-CA 3.19Å; D1835-S1903 PolarHBondContact O-N 3.5Å; D1835-S1903 VanDerWaalsContact O-N 3.12Å; D1835-S1903 WeakPolarHBondContact OD2-CA 3.42Å; D1835-S1903 WeakPolarHBondContact OD2-CB 3.45Å; D1835-S1903 PolarHBondContact OD2-N 3.5Å; D1835-S1903 PolarHBondContact OD2-OG 3.15Å; K1836-S1903 WeakPolarHBondContact CA-O 3.18Å; K1836-S1903 PolarHBondContact N-O 2.79Å; S1899-S1903 WeakPolarHBondContact O-CB 3.46Å; S1899-S1903 PolarHBondContact O-N 3.3Å; S1899-S1903 VanDerWaalsContact O-N 3.09Å; S1899-S1903 PolarHBondContact O-OG 2.83Å; S1899-S1903 VanDerWaalsContact O-OG 3.12Å; Q1900-S1903 WeakPolarHBondContact CA-OG 3.45Å; Q1900-S1903 WeakPolarHBondContact O-CB 3.4Å; Q1900-S1903 PolarHBondContact O-N 2.82Å; Q1900-S1903 PolarHBondContact O-OG 3.32Å; Q1900-S1903 VanDerWaalsContact O-OG 3.11Å; I1901-S1903 VanDerWaalsContact C-N 3.31Å; I1901-S1903 PolarHBondContact O-N 3.48Å; S1903-M1905 VanDerWaalsContact C-N 3.34Å; S1903-M1905 PolarHBondContact O-N 3.26Å; S1903-P1907 VanDerWaalsContact O-CD 3.31Å; S1903-P1907 WeakPolarHBondContact O-CD 3.47Å |
| 1904 | N | 35.2 | Very low | 30.8 | Very low | 99.2 Ų | 99.2 | 78 Ų | 78 | 53% | 0.53 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.1 | -29.2 | 179.5 | -72.3 | -7.5 | 0 | 0 | 0 | 114.9 | E1833 D1835 K1836 Q1900 I1901 I1902 L1906 | E1833-N1904 PolarHBondContact OE1-ND2 3.34Å; D1835-N1904 VanDerWaalsContact O-CB 3.27Å; D1835-N1904 WeakPolarHBondContact O-CB 3.46Å; D1835-N1904 PolarHBondContact O-N 3.43Å; K1836-N1904 HydrophobicContact CD-CB 4.39Å; K1836-N1904 HydrophobicContact CG-CB 3.68Å; Q1900-N1904 WeakPolarHBondContact CG-ND2 3.11Å; Q1900-N1904 WeakPolarHBondContact O-CB 3.41Å; Q1900-N1904 VanDerWaalsContact O-CG 3.22Å; Q1900-N1904 PolarHBondContact O-N 3.21Å; Q1900-N1904 VanDerWaalsContact O-N 3.13Å; Q1900-N1904 PolarHBondContact O-ND2 2.99Å; Q1900-N1904 VanDerWaalsContact O-ND2 3.09Å; Q1900-N1904 PolarHBondContact O-OD1 3.1Å; I1901-N1904 WeakPolarHBondContact O-CB 3.46Å; I1901-N1904 PolarHBondContact O-N 3.14Å; I1901-N1904 VanDerWaalsContact O-N 3.07Å; I1902-N1904 VanDerWaalsContact C-N 3.28Å; I1902-N1904 PolarHBondContact O-N 3.26Å; N1904-L1906 PolarHBondContact O-N 3.02Å; N1904-L1906 VanDerWaalsContact O-N 3.1Å |
| 1905 | M | 32.1 | Very low | 30.9 | Very low | 63.2 Ų | 63.2 | 73.4 Ų | 73.4 | 31% | 0.311 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -82.1 | -27.2 | 179.8 | -86.6 | -168.5 | -88.7 | 0 | 0 | 113 | K1836 L1871 I1901 I1902 S1903 P1907 S1908 I1909 | K1836-M1905 HydrophobicContact CB-CB 3.63Å; K1836-M1905 HydrophobicContact CB-CE 4.11Å; K1836-M1905 HydrophobicContact CD-CB 3.69Å; K1836-M1905 HydrophobicContact CD-CE 3.7Å; K1836-M1905 HydrophobicContact CD-CG 4.26Å; K1836-M1905 HydrophobicContact CG-CB 3.54Å; K1836-M1905 HydrophobicContact CG-CE 4.39Å; L1871-M1905 HydrophobicContact CD1-CE 3.6Å; L1871-M1905 HydrophobicContact CD1-SD 4.24Å; L1871-M1905 HydrophobicContact CD2-CB 4.24Å; L1871-M1905 HydrophobicContact CD2-CG 3.86Å; L1871-M1905 HydrophobicContact CD2-SD 3.82Å; L1871-M1905 HydrophobicContact CG-CE 4.49Å; I1901-M1905 HydrophobicContact CD1-CE 4.36Å; I1901-M1905 HydrophobicContact CG2-CE 3.61Å; I1901-M1905 VanDerWaalsContact CG2-CE 3.4Å; I1901-M1905 HydrophobicContact CG2-SD 4.38Å; I1901-M1905 WeakPolarHBondContact O-CE 3.21Å; I1901-M1905 WeakPolarHBondContact O-CG 3.33Å; I1901-M1905 PolarHBondContact O-N 3.21Å; I1902-M1905 PolarHBondContact O-N 3.16Å; I1902-M1905 VanDerWaalsContact O-N 3.11Å; S1903-M1905 VanDerWaalsContact C-N 3.34Å; S1903-M1905 PolarHBondContact O-N 3.26Å; M1905-P1907 VanDerWaalsContact C-CD 3.45Å; M1905-P1907 VanDerWaalsContact C-N 3.31Å; M1905-P1907 WeakPolarHBondContact O-CD 3.12Å; M1905-S1908 WeakPolarHBondContact O-CB 3.18Å; M1905-S1908 PolarHBondContact O-N 3.19Å; M1905-S1908 VanDerWaalsContact O-N 3.11Å; M1905-I1909 HydrophobicContact CB-CD1 4.24Å; M1905-I1909 WeakPolarHBondContact O-CD1 3.32Å; M1905-I1909 WeakPolarHBondContact O-CG1 3.28Å; M1905-I1909 PolarHBondContact O-N 3.1Å; M1905-I1909 VanDerWaalsContact O-N 3.08Å |
| 1906 | L | 34.6 | Very low | 31.1 | Very low | 80.6 Ų | 80.6 | 73.4 Ų | 73.4 | 42% | 0.422 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -47.8 | 0 | -174.9 | -148.9 | 87.3 | 0 | 0 | 0 | 115.6 | F1827 K1836 I1902 N1904 S1908 I1909 Q1910 V1911 | F1827-L1906 HydrophobicContact CD1-CD1 4.08Å; F1827-L1906 HydrophobicContact CE1-CD1 3.63Å; K1836-L1906 HydrophobicContact CD-CD1 4.3Å; K1836-L1906 HydrophobicContact CD-CD2 4.41Å; I1902-L1906 WeakPolarHBondContact O-CB 3.06Å; I1902-L1906 PolarHBondContact O-N 2.97Å; N1904-L1906 PolarHBondContact O-N 3.02Å; N1904-L1906 VanDerWaalsContact O-N 3.1Å; L1906-S1908 VanDerWaalsContact C-N 3.32Å; L1906-S1908 PolarHBondContact O-N 3.13Å; L1906-I1909 PolarHBondContact O-N 3.02Å; L1906-Q1910 HydrophobicContact CB-CB 4.3Å; L1906-Q1910 HydrophobicContact CD2-CB 3.77Å; L1906-Q1910 HydrophobicContact CD2-CG 4.5Å; L1906-Q1910 HydrophobicContact CG-CB 3.52Å; L1906-Q1910 HydrophobicContact CG-CG 4.28Å; L1906-Q1910 CarbonylContact O-C 3.49Å; L1906-Q1910 WeakPolarHBondContact O-CB 3.38Å; L1906-Q1910 WeakPolarHBondContact O-CG 3.4Å; L1906-Q1910 PolarHBondContact O-N 2.97Å; L1906-V1911 WeakPolarHBondContact O-CG2 3.29Å; L1906-V1911 PolarHBondContact O-N 3.08Å |
| 1907 | P | 33 | Very low | 31.1 | Very low | 67.4 Ų | 67.4 | 76.3 Ų | 76.3 | 44% | 0.438 | 44% | 0.437 | S | S | . | . | H | α-helix | 0 | -35.2 | 0 | -21.8 | 35.4 | 0 | 0 | 0 | 117.1 | S1903 M1905 I1909 Q1910 V1911 T1912 | S1903-P1907 VanDerWaalsContact O-CD 3.31Å; S1903-P1907 WeakPolarHBondContact O-CD 3.47Å; M1905-P1907 VanDerWaalsContact C-CD 3.45Å; M1905-P1907 VanDerWaalsContact C-N 3.31Å; M1905-P1907 WeakPolarHBondContact O-CD 3.12Å; P1907-I1909 VanDerWaalsContact C-N 3.32Å; P1907-I1909 PolarHBondContact O-N 3.06Å; P1907-Q1910 PolarHBondContact O-N 3.16Å; P1907-V1911 HydrophobicContact CB-CB 4.03Å; P1907-V1911 HydrophobicContact CB-CG2 4.27Å; P1907-V1911 HydrophobicContact CG-CG2 4.34Å; P1907-V1911 CarbonylContact O-C 3.57Å; P1907-V1911 WeakPolarHBondContact O-CA 3.33Å; P1907-V1911 VanDerWaalsContact O-CB 3.27Å; P1907-V1911 WeakPolarHBondContact O-CB 3.16Å; P1907-V1911 WeakPolarHBondContact O-CG2 3.38Å; P1907-V1911 PolarHBondContact O-N 3.08Å; P1907-T1912 PolarHBondContact O-N 3.25Å; P1907-T1912 PolarHBondContact O-OG1 3.41Å | |
| 1908 | S | 33.1 | Very low | 31.2 | Very low | 75.2 Ų | 75.2 | 80.1 Ų | 80.1 | 53% | 0.526 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -78 | 0 | 175.3 | -59.3 | 0 | 0 | 0 | 0 | 115.6 | M1905 L1906 T1912 | M1905-S1908 WeakPolarHBondContact O-CB 3.18Å; M1905-S1908 PolarHBondContact O-N 3.19Å; M1905-S1908 VanDerWaalsContact O-N 3.11Å; L1906-S1908 VanDerWaalsContact C-N 3.32Å; L1906-S1908 PolarHBondContact O-N 3.13Å; S1908-T1912 WeakPolarHBondContact O-CB 3.44Å; S1908-T1912 PolarHBondContact O-N 3.32Å; S1908-T1912 PolarHBondContact O-OG1 3.01Å; S1908-T1912 VanDerWaalsContact O-OG1 3.07Å; S1908-T1912 WeakPolarHBondContact OG-CB 3.49Å; S1908-T1912 PolarHBondContact OG-OG1 2.78Å |
| 1909 | I | 30.7 | Very low | 31.3 | Very low | 59.4 Ų | 59.4 | 78.2 Ų | 78.2 | 31% | 0.305 | 44% | 0.444 | S | S | . | . | H | α-helix | 0 | -43 | 0 | -51.9 | 166.9 | 0 | 0 | 0 | 114.4 | L1824 F1827 Y1839 L1840 I1843 F1847 L1871 M1905 L1906 P1907 V1911 T1912 V1913 | L1824-I1909 HydrophobicContact CD2-CG2 3.94Å; F1827-I1909 HydrophobicContact CE1-CD1 4.39Å; Y1839-I1909 HydrophobicContact CD1-CB 3.78Å; Y1839-I1909 HydrophobicContact CD1-CG2 3.5Å; Y1839-I1909 VanDerWaalsContact CD1-CG2 3.5Å; Y1839-I1909 WeakPolarHBondContact CD1-O 3.48Å; Y1839-I1909 HydrophobicContact CE1-CB 4.29Å; Y1839-I1909 HydrophobicContact CE1-CG2 3.76Å; Y1839-I1909 WeakPolarHBondContact CE1-O 3.38Å; L1840-I1909 HydrophobicContact CD1-CD1 4.17Å; L1840-I1909 HydrophobicContact CD2-CD1 3.89Å; L1840-I1909 HydrophobicContact CG-CD1 3.61Å; I1843-I1909 HydrophobicContact CD1-CG2 3.38Å; I1843-I1909 HydrophobicContact CG1-CG2 4.31Å; F1847-I1909 HydrophobicContact CE1-CD1 4.32Å; F1847-I1909 HydrophobicContact CE2-CD1 3.86Å; F1847-I1909 HydrophobicContact CE2-CG1 4.2Å; F1847-I1909 HydrophobicContact CE2-CG2 3.99Å; F1847-I1909 HydrophobicContact CZ-CD1 3.38Å; F1847-I1909 HydrophobicContact CZ-CG1 3.93Å; L1871-I1909 HydrophobicContact CD1-CG1 4.22Å; M1905-I1909 HydrophobicContact CB-CD1 4.24Å; M1905-I1909 WeakPolarHBondContact O-CD1 3.32Å; M1905-I1909 WeakPolarHBondContact O-CG1 3.28Å; M1905-I1909 PolarHBondContact O-N 3.1Å; M1905-I1909 VanDerWaalsContact O-N 3.08Å; L1906-I1909 PolarHBondContact O-N 3.02Å; P1907-I1909 VanDerWaalsContact C-N 3.32Å; P1907-I1909 PolarHBondContact O-N 3.06Å; I1909-V1911 VanDerWaalsContact C-N 3.34Å; I1909-V1911 PolarHBondContact O-N 3.02Å; I1909-T1912 WeakPolarHBondContact O-CB 3.33Å; I1909-T1912 PolarHBondContact O-N 3.12Å; I1909-T1912 VanDerWaalsContact O-N 3.08Å; I1909-V1913 HydrophobicContact CG2-CG2 4.32Å; I1909-V1913 WeakPolarHBondContact O-CG2 3.41Å; I1909-V1913 PolarHBondContact O-N 2.93Å | |
| 1910 | Q | 32 | Very low | 31.2 | Very low | 95.4 Ų | 95.4 | 79.6 Ų | 79.6 | 45% | 0.446 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.5 | 0 | 171.2 | -99.2 | -167.3 | -4.5 | 0 | 0 | 117.2 | C1828 Y1839 L1906 P1907 T1912 V1913 Q1914 | C1828-Q1910 HydrophobicContact CB-CG 3.95Å; C1828-Q1910 VanDerWaalsContact SG-CG 3.57Å; Y1839-Q1910 HydrophobicContact CD1-CG 4.33Å; Y1839-Q1910 HydrophobicContact CD2-CG 3.28Å; Y1839-Q1910 HydrophobicContact CE1-CG 4.17Å; Y1839-Q1910 HydrophobicContact CE2-CB 4.48Å; Y1839-Q1910 VanDerWaalsContact CE2-CD 3.45Å; Y1839-Q1910 HydrophobicContact CE2-CG 3.06Å; Y1839-Q1910 HydrophobicContact CG-CG 3.89Å; Y1839-Q1910 VanDerWaalsContact CZ-CG 3.49Å; L1906-Q1910 HydrophobicContact CB-CB 4.3Å; L1906-Q1910 HydrophobicContact CD2-CB 3.77Å; L1906-Q1910 HydrophobicContact CD2-CG 4.5Å; L1906-Q1910 HydrophobicContact CG-CB 3.52Å; L1906-Q1910 HydrophobicContact CG-CG 4.28Å; L1906-Q1910 CarbonylContact O-C 3.49Å; L1906-Q1910 WeakPolarHBondContact O-CB 3.38Å; L1906-Q1910 WeakPolarHBondContact O-CG 3.4Å; L1906-Q1910 PolarHBondContact O-N 2.97Å; P1907-Q1910 PolarHBondContact O-N 3.16Å; Q1910-T1912 VanDerWaalsContact C-N 3.32Å; Q1910-T1912 PolarHBondContact O-N 3.13Å; Q1910-V1913 PolarHBondContact O-N 2.98Å; Q1910-Q1914 VanDerWaalsContact O-CB 3.23Å; Q1910-Q1914 WeakPolarHBondContact O-CB 3.38Å; Q1910-Q1914 VanDerWaalsContact O-CG 3.28Å; Q1910-Q1914 WeakPolarHBondContact O-CG 3.38Å; Q1910-Q1914 PolarHBondContact O-N 3.05Å |
| 1911 | V | 31.7 | Very low | 31.2 | Very low | 89.2 Ų | 89.2 | 78.9 Ų | 78.9 | 54% | 0.541 | 45% | 0.451 | S | S | . | . | H | α-helix | 0 | -41.1 | 0 | 173.7 | 0 | 0 | 0 | 0 | 112.9 | L1906 P1907 I1909 V1913 Q1914 A1915 | L1906-V1911 WeakPolarHBondContact O-CG2 3.29Å; L1906-V1911 PolarHBondContact O-N 3.08Å; P1907-V1911 HydrophobicContact CB-CB 4.03Å; P1907-V1911 HydrophobicContact CB-CG2 4.27Å; P1907-V1911 HydrophobicContact CG-CG2 4.34Å; P1907-V1911 CarbonylContact O-C 3.57Å; P1907-V1911 WeakPolarHBondContact O-CA 3.33Å; P1907-V1911 VanDerWaalsContact O-CB 3.27Å; P1907-V1911 WeakPolarHBondContact O-CB 3.16Å; P1907-V1911 WeakPolarHBondContact O-CG2 3.38Å; P1907-V1911 PolarHBondContact O-N 3.08Å; I1909-V1911 VanDerWaalsContact C-N 3.34Å; I1909-V1911 PolarHBondContact O-N 3.02Å; V1911-V1913 VanDerWaalsContact C-N 3.29Å; V1911-V1913 PolarHBondContact O-N 3.1Å; V1911-Q1914 PolarHBondContact O-N 3.16Å; V1911-Q1914 VanDerWaalsContact O-N 3.1Å; V1911-A1915 VanDerWaalsContact O-CB 3.24Å; V1911-A1915 WeakPolarHBondContact O-CB 3.37Å; V1911-A1915 PolarHBondContact O-N 3.04Å | |
| 1912 | T | 29.5 | Very low | 31.2 | Very low | 61.4 Ų | 61.4 | 80.7 Ų | 80.7 | 38% | 0.377 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.5 | -31.5 | 178.7 | -49.9 | 0 | 0 | 0 | 0 | 113.9 | V1864 K1867 P1907 S1908 I1909 Q1910 Q1914 A1915 T1916 | V1864-T1912 HydrophobicContact CG1-CG2 4.4Å; K1867-T1912 PolarHBondContact NZ-OG1 3.41Å; P1907-T1912 PolarHBondContact O-N 3.25Å; P1907-T1912 PolarHBondContact O-OG1 3.41Å; S1908-T1912 WeakPolarHBondContact O-CB 3.44Å; S1908-T1912 PolarHBondContact O-N 3.32Å; S1908-T1912 PolarHBondContact O-OG1 3.01Å; S1908-T1912 VanDerWaalsContact O-OG1 3.07Å; S1908-T1912 WeakPolarHBondContact OG-CB 3.49Å; S1908-T1912 PolarHBondContact OG-OG1 2.78Å; I1909-T1912 WeakPolarHBondContact O-CB 3.33Å; I1909-T1912 PolarHBondContact O-N 3.12Å; I1909-T1912 VanDerWaalsContact O-N 3.08Å; Q1910-T1912 VanDerWaalsContact C-N 3.32Å; Q1910-T1912 PolarHBondContact O-N 3.13Å; T1912-Q1914 PolarHBondContact O-N 3.29Å; T1912-Q1914 VanDerWaalsContact O-N 3.09Å; T1912-A1915 HydrophobicContact CG2-CB 3.64Å; T1912-A1915 CarbonylContact O-C 3.59Å; T1912-A1915 VanDerWaalsContact O-CA 3.22Å; T1912-A1915 WeakPolarHBondContact O-CA 3.37Å; T1912-A1915 WeakPolarHBondContact O-CB 3.3Å; T1912-A1915 PolarHBondContact O-N 3.27Å; T1912-T1916 WeakPolarHBondContact O-CG2 3.29Å; T1912-T1916 PolarHBondContact O-N 2.89Å; T1912-T1916 PolarHBondContact O-OG1 3.18Å |
| 1913 | V | 30.3 | Very low | 31.3 | Very low | 44.4 Ų | 44.4 | 82.2 Ų | 82.2 | 27% | 0.269 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.4 | -34.2 | 173.7 | 166.6 | 0 | 0 | 0 | 0 | 111.5 | L1824 I1909 Q1910 V1911 A1915 T1916 K1917 | L1824-V1913 HydrophobicContact CB-CG2 4.04Å; I1909-V1913 HydrophobicContact CG2-CG2 4.32Å; I1909-V1913 WeakPolarHBondContact O-CG2 3.41Å; I1909-V1913 PolarHBondContact O-N 2.93Å; Q1910-V1913 PolarHBondContact O-N 2.98Å; V1911-V1913 VanDerWaalsContact C-N 3.29Å; V1911-V1913 PolarHBondContact O-N 3.1Å; V1913-A1915 VanDerWaalsContact C-N 3.32Å; V1913-A1915 PolarHBondContact O-N 2.87Å; V1913-T1916 HydrophobicContact CG2-CG2 4.44Å; V1913-T1916 CarbonylContact O-C 3.4Å; V1913-T1916 VanDerWaalsContact O-C 3.3Å; V1913-T1916 WeakPolarHBondContact O-CA 3.38Å; V1913-T1916 PolarHBondContact O-N 2.97Å; V1913-T1916 VanDerWaalsContact O-N 3.14Å; V1913-T1916 PolarHBondContact O-OG1 2.93Å; V1913-T1916 VanDerWaalsContact O-OG1 3.06Å; V1913-K1917 HydrophobicContact CG1-CD 4.13Å; V1913-K1917 HydrophobicContact CG1-CG 4.17Å; V1913-K1917 WeakPolarHBondContact O-CB 3.18Å; V1913-K1917 WeakPolarHBondContact O-CG 3.39Å; V1913-K1917 PolarHBondContact O-N 3.2Å; V1913-K1917 VanDerWaalsContact O-N 3.15Å |
| 1914 | Q | 29.4 | Very low | 31.5 | Very low | 116.4 Ų | 116.4 | 83.7 Ų | 83.7 | 54% | 0.544 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -73.9 | -31.6 | 174.9 | -73.4 | -170.7 | -1.4 | 0 | 0 | 111.9 | Q1910 V1911 T1912 T1916 K1917 V1918 | Q1910-Q1914 VanDerWaalsContact O-CB 3.23Å; Q1910-Q1914 WeakPolarHBondContact O-CB 3.38Å; Q1910-Q1914 VanDerWaalsContact O-CG 3.28Å; Q1910-Q1914 WeakPolarHBondContact O-CG 3.38Å; Q1910-Q1914 PolarHBondContact O-N 3.05Å; V1911-Q1914 PolarHBondContact O-N 3.16Å; V1911-Q1914 VanDerWaalsContact O-N 3.1Å; T1912-Q1914 PolarHBondContact O-N 3.29Å; T1912-Q1914 VanDerWaalsContact O-N 3.09Å; Q1914-T1916 VanDerWaalsContact C-N 3.3Å; Q1914-T1916 PolarHBondContact O-N 3.19Å; Q1914-T1916 VanDerWaalsContact O-N 3.13Å; Q1914-K1917 HydrophobicContact CG-CD 4.26Å; Q1914-K1917 CarbonylContact O-C 3.57Å; Q1914-K1917 VanDerWaalsContact O-CA 3.31Å; Q1914-K1917 WeakPolarHBondContact O-CA 3.4Å; Q1914-K1917 WeakPolarHBondContact O-CB 3.33Å; Q1914-K1917 PolarHBondContact O-N 2.97Å; Q1914-K1917 VanDerWaalsContact O-N 3.12Å; Q1914-V1918 WeakPolarHBondContact O-CG2 3.45Å; Q1914-V1918 PolarHBondContact O-N 3.06Å |
| 1915 | A | 28 | Very low | 31.6 | Very low | 59 Ų | 59 | 84.7 Ų | 84.7 | 49% | 0.488 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64 | -36.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1911 T1912 V1913 K1917 V1918 S1919 | V1911-A1915 VanDerWaalsContact O-CB 3.24Å; V1911-A1915 WeakPolarHBondContact O-CB 3.37Å; V1911-A1915 PolarHBondContact O-N 3.04Å; T1912-A1915 HydrophobicContact CG2-CB 3.64Å; T1912-A1915 CarbonylContact O-C 3.59Å; T1912-A1915 VanDerWaalsContact O-CA 3.22Å; T1912-A1915 WeakPolarHBondContact O-CA 3.37Å; T1912-A1915 WeakPolarHBondContact O-CB 3.3Å; T1912-A1915 PolarHBondContact O-N 3.27Å; V1913-A1915 VanDerWaalsContact C-N 3.32Å; V1913-A1915 PolarHBondContact O-N 2.87Å; A1915-K1917 PolarHBondContact O-N 3.2Å; A1915-V1918 PolarHBondContact O-N 2.81Å; A1915-S1919 VanDerWaalsContact CA-OG 3.31Å; A1915-S1919 WeakPolarHBondContact CA-OG 3.43Å; A1915-S1919 WeakPolarHBondContact CB-OG 3.41Å; A1915-S1919 WeakPolarHBondContact O-CB 2.96Å; A1915-S1919 PolarHBondContact O-N 3.49Å; A1915-S1919 PolarHBondContact O-OG 3.49Å |
| 1916 | T | 28.9 | Very low | 31.7 | Very low | 72.8 Ų | 72.8 | 83 Ų | 83 | 45% | 0.447 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -74.5 | -18.9 | 176.2 | 51.3 | 0 | 0 | 0 | 0 | 114.1 | V1864 T1912 V1913 Q1914 V1918 S1919 Y1922 | V1864-T1916 HydrophobicContact CG2-CG2 4.07Å; T1912-T1916 WeakPolarHBondContact O-CG2 3.29Å; T1912-T1916 PolarHBondContact O-N 2.89Å; T1912-T1916 PolarHBondContact O-OG1 3.18Å; V1913-T1916 HydrophobicContact CG2-CG2 4.44Å; V1913-T1916 CarbonylContact O-C 3.4Å; V1913-T1916 VanDerWaalsContact O-C 3.3Å; V1913-T1916 WeakPolarHBondContact O-CA 3.38Å; V1913-T1916 PolarHBondContact O-N 2.97Å; V1913-T1916 VanDerWaalsContact O-N 3.14Å; V1913-T1916 PolarHBondContact O-OG1 2.93Å; V1913-T1916 VanDerWaalsContact O-OG1 3.06Å; Q1914-T1916 VanDerWaalsContact C-N 3.3Å; Q1914-T1916 PolarHBondContact O-N 3.19Å; Q1914-T1916 VanDerWaalsContact O-N 3.13Å; T1916-V1918 PolarHBondContact O-N 3.45Å; T1916-S1919 PolarHBondContact O-N 3.43Å; T1916-S1919 PolarHBondContact O-OG 3.02Å; T1916-Y1922 HydrophobicContact CG2-CD1 3.39Å; T1916-Y1922 HydrophobicContact CG2-CD2 3.52Å; T1916-Y1922 HydrophobicContact CG2-CE1 3.27Å; T1916-Y1922 HydrophobicContact CG2-CE2 3.43Å; T1916-Y1922 VanDerWaalsContact CG2-CE2 3.43Å; T1916-Y1922 HydrophobicContact CG2-CG 3.48Å; T1916-Y1922 VanDerWaalsContact CG2-CG 3.48Å |
| 1917 | K | 28.4 | Very low | 31.9 | Very low | 143.2 Ų | 143.2 | 84.4 Ų | 84.4 | 62% | 0.623 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -79.3 | -18.4 | 176.5 | -91.1 | -175.9 | 173.1 | -169.4 | 0 | 114.9 | D1825 V1913 Q1914 A1915 S1919 E1923 | D1825-K1917 IonicContact OD1-NZ 3.28Å; D1825-K1917 PolarHBondContact OD1-NZ 3.49Å; D1825-K1917 IonicContact OD2-NZ 3.77Å; D1825-K1917 PolarHBondContact OD2-NZ 3.43Å; V1913-K1917 HydrophobicContact CG1-CD 4.13Å; V1913-K1917 HydrophobicContact CG1-CG 4.17Å; V1913-K1917 WeakPolarHBondContact O-CB 3.18Å; V1913-K1917 WeakPolarHBondContact O-CG 3.39Å; V1913-K1917 PolarHBondContact O-N 3.2Å; V1913-K1917 VanDerWaalsContact O-N 3.15Å; Q1914-K1917 HydrophobicContact CG-CD 4.26Å; Q1914-K1917 CarbonylContact O-C 3.57Å; Q1914-K1917 VanDerWaalsContact O-CA 3.31Å; Q1914-K1917 WeakPolarHBondContact O-CA 3.4Å; Q1914-K1917 WeakPolarHBondContact O-CB 3.33Å; Q1914-K1917 PolarHBondContact O-N 2.97Å; Q1914-K1917 VanDerWaalsContact O-N 3.12Å; A1915-K1917 PolarHBondContact O-N 3.2Å; K1917-S1919 CarbonylContact O-C 3.57Å; K1917-S1919 PolarHBondContact O-N 3.41Å; K1917-E1923 IonicContact NZ-OE1 2.71Å; K1917-E1923 PolarHBondContact NZ-OE1 3.03Å |
| 1918 | V | 28.7 | Very low | 32.3 | Very low | 114 Ų | 114 | 85.5 Ų | 85.5 | 69% | 0.691 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | 5.9 | -171 | -160.5 | 0 | 0 | 0 | 0 | 113.5 | Q1914 A1915 T1916 N1920 | Q1914-V1918 WeakPolarHBondContact O-CG2 3.45Å; Q1914-V1918 PolarHBondContact O-N 3.06Å; A1915-V1918 PolarHBondContact O-N 2.81Å; T1916-V1918 PolarHBondContact O-N 3.45Å; V1918-N1920 PolarHBondContact O-N 3.18Å; V1918-N1920 VanDerWaalsContact O-N 3.15Å |
| 1919 | S | 31.4 | Very low | 32.6 | Very low | 50.8 Ų | 50.8 | 85.2 Ų | 85.2 | 36% | 0.355 | 46% | 0.456 | S | S | . | . | trans | -88.1 | 97.3 | 177.6 | 68 | 0 | 0 | 0 | 0 | 112.5 | A1915 T1916 K1917 S1921 Y1922 E1923 | A1915-S1919 VanDerWaalsContact CA-OG 3.31Å; A1915-S1919 WeakPolarHBondContact CA-OG 3.43Å; A1915-S1919 WeakPolarHBondContact CB-OG 3.41Å; A1915-S1919 WeakPolarHBondContact O-CB 2.96Å; A1915-S1919 PolarHBondContact O-N 3.49Å; A1915-S1919 PolarHBondContact O-OG 3.49Å; T1916-S1919 PolarHBondContact O-N 3.43Å; T1916-S1919 PolarHBondContact O-OG 3.02Å; K1917-S1919 CarbonylContact O-C 3.57Å; K1917-S1919 PolarHBondContact O-N 3.41Å; S1919-S1921 WeakPolarHBondContact CB-OG 3.08Å; S1919-S1921 PolarHBondContact O-N 3.07Å; S1919-S1921 VanDerWaalsContact O-N 3.1Å; S1919-S1921 PolarHBondContact OG-N 2.87Å; S1919-S1921 PolarHBondContact OG-OG 2.7Å; S1919-Y1922 PolarHBondContact O-N 2.9Å; S1919-Y1922 WeakPolarHBondContact OG-CB 3.31Å; S1919-Y1922 PolarHBondContact OG-N 2.69Å; S1919-E1923 PolarHBondContact O-N 3.42Å; S1919-E1923 VanDerWaalsContact O-N 3.11Å | ||
| 1920 | N | 29.5 | Very low | 32.9 | Very low | 107 Ų | 107 | 84.8 Ų | 84.8 | 57% | 0.572 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -54.1 | -22.1 | 174.9 | -71.8 | 10.9 | 0 | 0 | 0 | 113.4 | V1918 Y1922 E1923 N1924 | V1918-N1920 PolarHBondContact O-N 3.18Å; V1918-N1920 VanDerWaalsContact O-N 3.15Å; N1920-Y1922 VanDerWaalsContact C-N 3.31Å; N1920-Y1922 PolarHBondContact O-N 2.79Å; N1920-E1923 PolarHBondContact O-N 2.94Å; N1920-N1924 WeakPolarHBondContact O-CA 3.46Å; N1920-N1924 WeakPolarHBondContact O-CB 3.34Å; N1920-N1924 PolarHBondContact O-N 3.15Å; N1920-N1924 VanDerWaalsContact O-N 3.1Å; N1920-N1924 PolarHBondContact O-ND2 3.08Å; N1920-N1924 PolarHBondContact O-OD1 3.18Å; N1920-N1924 VanDerWaalsContact O-OD1 3.09Å |
| 1921 | S | 32.4 | Very low | 33.4 | Very low | 78.2 Ų | 78.2 | 83.9 Ų | 83.9 | 55% | 0.547 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.5 | -30.9 | 175.6 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | S1919 E1923 Q1925 | S1919-S1921 WeakPolarHBondContact CB-OG 3.08Å; S1919-S1921 PolarHBondContact O-N 3.07Å; S1919-S1921 VanDerWaalsContact O-N 3.1Å; S1919-S1921 PolarHBondContact OG-N 2.87Å; S1919-S1921 PolarHBondContact OG-OG 2.7Å; S1921-E1923 VanDerWaalsContact C-N 3.32Å; S1921-Q1925 WeakPolarHBondContact O-CA 3.48Å; S1921-Q1925 VanDerWaalsContact O-CB 3.3Å; S1921-Q1925 WeakPolarHBondContact O-CB 3.48Å; S1921-Q1925 VanDerWaalsContact O-CG 3.26Å; S1921-Q1925 WeakPolarHBondContact O-CG 3.34Å; S1921-Q1925 PolarHBondContact O-N 3.38Å |
| 1922 | Y | 32.2 | Very low | 33.7 | Very low | 92.6 Ų | 92.6 | 84.8 Ų | 84.8 | 36% | 0.363 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -80 | -36 | 177.6 | -152.1 | -98.8 | 0 | 0 | 0 | 111.5 | F1814 V1818 T1916 S1919 N1920 N1924 Q1925 I1926 F1964 T1965 | F1814-Y1922 HydrophobicContact CE2-CE2 4.35Å; V1818-Y1922 WeakPolarHBondContact CG2-OH 3.46Å; T1916-Y1922 HydrophobicContact CG2-CD1 3.39Å; T1916-Y1922 HydrophobicContact CG2-CD2 3.52Å; T1916-Y1922 HydrophobicContact CG2-CE1 3.27Å; T1916-Y1922 HydrophobicContact CG2-CE2 3.43Å; T1916-Y1922 VanDerWaalsContact CG2-CE2 3.43Å; T1916-Y1922 HydrophobicContact CG2-CG 3.48Å; T1916-Y1922 VanDerWaalsContact CG2-CG 3.48Å; S1919-Y1922 PolarHBondContact O-N 2.9Å; S1919-Y1922 WeakPolarHBondContact OG-CB 3.31Å; S1919-Y1922 PolarHBondContact OG-N 2.69Å; N1920-Y1922 VanDerWaalsContact C-N 3.31Å; N1920-Y1922 PolarHBondContact O-N 2.79Å; Y1922-N1924 VanDerWaalsContact C-N 3.33Å; Y1922-Q1925 HydrophobicContact CD2-CB 4.28Å; Y1922-Q1925 PolarHBondContact O-N 2.99Å; Y1922-I1926 HydrophobicContact CD1-CD1 3.87Å; Y1922-I1926 HydrophobicContact CD1-CG1 4.34Å; Y1922-I1926 HydrophobicContact CD2-CD1 4.4Å; Y1922-I1926 HydrophobicContact CE1-CD1 3.72Å; Y1922-I1926 HydrophobicContact CE1-CG1 4.14Å; Y1922-I1926 HydrophobicContact CE2-CD1 3.83Å; Y1922-I1926 HydrophobicContact CG-CD1 4.5Å; Y1922-I1926 WeakPolarHBondContact O-CB 3.32Å; Y1922-I1926 WeakPolarHBondContact O-CG1 3.49Å; Y1922-I1926 PolarHBondContact O-N 2.97Å; Y1922-F1964 HydrophobicContact CE1-CB 4.42Å; Y1922-T1965 HydrophobicContact CD1-CG2 4.4Å; Y1922-T1965 HydrophobicContact CE1-CG2 4.48Å |
| 1923 | E | 32.8 | Very low | 34 | Very low | 99.2 Ų | 99.2 | 83.6 Ų | 83.6 | 46% | 0.464 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.5 | -47.3 | 173.4 | -159.3 | 165.2 | -150.5 | 0 | 0 | 110.7 | K1917 S1919 N1920 S1921 Q1925 I1926 E1927 K1966 | K1917-E1923 IonicContact NZ-OE1 2.71Å; K1917-E1923 PolarHBondContact NZ-OE1 3.03Å; S1919-E1923 PolarHBondContact O-N 3.42Å; S1919-E1923 VanDerWaalsContact O-N 3.11Å; N1920-E1923 PolarHBondContact O-N 2.94Å; S1921-E1923 VanDerWaalsContact C-N 3.32Å; E1923-Q1925 VanDerWaalsContact C-N 3.31Å; E1923-Q1925 PolarHBondContact O-N 3.35Å; E1923-I1926 CarbonylContact O-C 2.98Å; E1923-I1926 PolarHBondContact O-N 3.4Å; E1923-E1927 WeakPolarHBondContact O-CA 3.35Å; E1923-E1927 WeakPolarHBondContact O-CB 3.31Å; E1923-E1927 PolarHBondContact O-N 3.16Å; E1923-K1966 WeakPolarHBondContact OE1-CE 3.33Å; E1923-K1966 IonicContact OE1-NZ 3.45Å; E1923-K1966 PolarHBondContact OE1-NZ 3.44Å |
| 1924 | N | 38.2 | Very low | 34.2 | Very low | 89.4 Ų | 89.4 | 87.7 Ų | 87.7 | 48% | 0.478 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.1 | -31.9 | 173.9 | -78.2 | -29.4 | 0 | 0 | 0 | 113.4 | N1920 Y1922 I1926 N1928 | N1920-N1924 WeakPolarHBondContact O-CA 3.46Å; N1920-N1924 WeakPolarHBondContact O-CB 3.34Å; N1920-N1924 PolarHBondContact O-N 3.15Å; N1920-N1924 VanDerWaalsContact O-N 3.1Å; N1920-N1924 PolarHBondContact O-ND2 3.08Å; N1920-N1924 PolarHBondContact O-OD1 3.18Å; N1920-N1924 VanDerWaalsContact O-OD1 3.09Å; Y1922-N1924 VanDerWaalsContact C-N 3.33Å; N1924-I1926 VanDerWaalsContact C-N 3.26Å; N1924-N1928 WeakPolarHBondContact O-CA 3.32Å; N1924-N1928 WeakPolarHBondContact O-CB 3.36Å; N1924-N1928 PolarHBondContact O-N 3.22Å; N1924-N1928 PolarHBondContact O-ND2 3.13Å |
| 1925 | Q | 36.7 | Very low | 34.7 | Very low | 119.2 Ų | 119.2 | 86.7 Ų | 86.7 | 56% | 0.557 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -71.1 | -40 | 175.8 | -85 | -179.9 | -5.5 | 0 | 0 | 112 | S1921 Y1922 E1923 N1928 L1929 | S1921-Q1925 WeakPolarHBondContact O-CA 3.48Å; S1921-Q1925 VanDerWaalsContact O-CB 3.3Å; S1921-Q1925 WeakPolarHBondContact O-CB 3.48Å; S1921-Q1925 VanDerWaalsContact O-CG 3.26Å; S1921-Q1925 WeakPolarHBondContact O-CG 3.34Å; S1921-Q1925 PolarHBondContact O-N 3.38Å; Y1922-Q1925 HydrophobicContact CD2-CB 4.28Å; Y1922-Q1925 PolarHBondContact O-N 2.99Å; E1923-Q1925 VanDerWaalsContact C-N 3.31Å; E1923-Q1925 PolarHBondContact O-N 3.35Å; Q1925-N1928 CarbonylContact O-C 3.2Å; Q1925-N1928 PolarHBondContact O-N 2.91Å; Q1925-L1929 VanDerWaalsContact O-CB 3.29Å; Q1925-L1929 WeakPolarHBondContact O-CB 3.33Å; Q1925-L1929 PolarHBondContact O-N 3.05Å; Q1925-L1929 VanDerWaalsContact O-N 3.16Å |
| 1926 | I | 35 | Very low | 35.2 | Very low | 28.4 Ų | 28.4 | 89.5 Ų | 89.5 | 15% | 0.146 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -71.1 | -39.3 | 174.8 | -74.1 | 173.2 | 0 | 0 | 0 | 110.9 | F1814 Y1922 E1923 N1924 N1928 L1929 L1930 I1958 T1961 T1962 T1965 | F1814-I1926 HydrophobicContact CZ-CG1 4.37Å; Y1922-I1926 HydrophobicContact CD1-CD1 3.87Å; Y1922-I1926 HydrophobicContact CD1-CG1 4.34Å; Y1922-I1926 HydrophobicContact CD2-CD1 4.4Å; Y1922-I1926 HydrophobicContact CE1-CD1 3.72Å; Y1922-I1926 HydrophobicContact CE1-CG1 4.14Å; Y1922-I1926 HydrophobicContact CE2-CD1 3.83Å; Y1922-I1926 HydrophobicContact CG-CD1 4.5Å; Y1922-I1926 WeakPolarHBondContact O-CB 3.32Å; Y1922-I1926 WeakPolarHBondContact O-CG1 3.49Å; Y1922-I1926 PolarHBondContact O-N 2.97Å; E1923-I1926 CarbonylContact O-C 2.98Å; E1923-I1926 PolarHBondContact O-N 3.4Å; N1924-I1926 VanDerWaalsContact C-N 3.26Å; I1926-N1928 VanDerWaalsContact C-N 3.26Å; I1926-N1928 PolarHBondContact O-N 3.13Å; I1926-L1929 HydrophobicContact CB-CB 4.47Å; I1926-L1929 HydrophobicContact CG1-CB 4.1Å; I1926-L1929 HydrophobicContact CG1-CD1 4.48Å; I1926-L1929 CarbonylContact O-C 3.18Å; I1926-L1929 PolarHBondContact O-N 3.08Å; I1926-L1929 VanDerWaalsContact O-N 3.13Å; I1926-L1930 HydrophobicContact CG2-CD1 3.86Å; I1926-L1930 HydrophobicContact CG2-CG 4.24Å; I1926-L1930 WeakPolarHBondContact O-CA 3.47Å; I1926-L1930 WeakPolarHBondContact O-CB 3.43Å; I1926-L1930 WeakPolarHBondContact O-CD1 3.44Å; I1926-L1930 VanDerWaalsContact O-CG 3.28Å; I1926-L1930 WeakPolarHBondContact O-CG 3.38Å; I1926-L1930 PolarHBondContact O-N 3.03Å; I1926-I1958 HydrophobicContact CG2-CG2 4.11Å; I1926-T1961 HydrophobicContact CB-CG2 4.34Å; I1926-T1961 HydrophobicContact CD1-CG2 3.97Å; I1926-T1961 HydrophobicContact CG1-CG2 4.08Å; I1926-T1961 HydrophobicContact CG2-CG2 3.31Å; I1926-T1962 HydrophobicContact CG2-CG2 4.09Å; I1926-T1962 VanDerWaalsContact CG2-OG1 3.24Å; I1926-T1962 WeakPolarHBondContact CG2-OG1 3.25Å; I1926-T1965 HydrophobicContact CB-CG2 3.5Å; I1926-T1965 HydrophobicContact CD1-CG2 3.49Å; I1926-T1965 VanDerWaalsContact CD1-CG2 3.49Å; I1926-T1965 HydrophobicContact CG1-CG2 4.09Å; I1926-T1965 HydrophobicContact CG2-CG2 3.39Å |
| 1927 | E | 38.4 | Very low | 35.4 | Very low | 108.8 Ų | 108.8 | 88.5 Ų | 88.5 | 51% | 0.508 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65 | -39.3 | 174.8 | -163.5 | 168.9 | -134.7 | 0 | 0 | 111.3 | E1923 L1929 L1930 L1931 | E1923-E1927 WeakPolarHBondContact O-CA 3.35Å; E1923-E1927 WeakPolarHBondContact O-CB 3.31Å; E1923-E1927 PolarHBondContact O-N 3.16Å; E1927-L1929 VanDerWaalsContact C-N 3.3Å; E1927-L1929 PolarHBondContact O-N 3.19Å; E1927-L1930 CarbonylContact O-C 2.66Å; E1927-L1930 PolarHBondContact O-N 3.31Å; E1927-L1931 HydrophobicContact CG-CD1 4.09Å; E1927-L1931 HydrophobicContact CG-CG 4.35Å; E1927-L1931 WeakPolarHBondContact O-CA 3.28Å; E1927-L1931 WeakPolarHBondContact O-CB 3.33Å; E1927-L1931 WeakPolarHBondContact O-CD1 3.28Å; E1927-L1931 WeakPolarHBondContact O-CG 3.27Å; E1927-L1931 PolarHBondContact O-N 3.07Å |
| 1928 | N | 41.9 | Very low | 35.7 | Very low | 91.2 Ų | 91.2 | 84.9 Ų | 84.9 | 49% | 0.488 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.2 | -37.8 | 170.6 | -89.5 | -55.6 | 0 | 0 | 0 | 113 | N1924 Q1925 I1926 L1930 L1931 Q1932 | N1924-N1928 WeakPolarHBondContact O-CA 3.32Å; N1924-N1928 WeakPolarHBondContact O-CB 3.36Å; N1924-N1928 PolarHBondContact O-N 3.22Å; N1924-N1928 PolarHBondContact O-ND2 3.13Å; Q1925-N1928 CarbonylContact O-C 3.2Å; Q1925-N1928 PolarHBondContact O-N 2.91Å; I1926-N1928 VanDerWaalsContact C-N 3.26Å; I1926-N1928 PolarHBondContact O-N 3.13Å; N1928-L1930 VanDerWaalsContact C-N 3.34Å; N1928-L1931 CarbonylContact O-C 2.64Å; N1928-L1931 PolarHBondContact O-N 3.25Å; N1928-Q1932 WeakPolarHBondContact O-CA 3.34Å; N1928-Q1932 WeakPolarHBondContact O-CB 3.4Å; N1928-Q1932 WeakPolarHBondContact O-CG 3.39Å; N1928-Q1932 PolarHBondContact O-N 3.33Å |
| 1929 | L | 38 | Very low | 36 | Very low | 69 Ų | 69 | 82.9 Ų | 82.9 | 36% | 0.361 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.1 | -37.7 | 177 | -120.2 | 137 | 0 | 0 | 0 | 111.4 | Q1925 I1926 E1927 L1931 Q1932 T1933 I1958 T1965 P1973 | Q1925-L1929 VanDerWaalsContact O-CB 3.29Å; Q1925-L1929 WeakPolarHBondContact O-CB 3.33Å; Q1925-L1929 PolarHBondContact O-N 3.05Å; Q1925-L1929 VanDerWaalsContact O-N 3.16Å; I1926-L1929 HydrophobicContact CB-CB 4.47Å; I1926-L1929 HydrophobicContact CG1-CB 4.1Å; I1926-L1929 HydrophobicContact CG1-CD1 4.48Å; I1926-L1929 CarbonylContact O-C 3.18Å; I1926-L1929 PolarHBondContact O-N 3.08Å; I1926-L1929 VanDerWaalsContact O-N 3.13Å; E1927-L1929 VanDerWaalsContact C-N 3.3Å; E1927-L1929 PolarHBondContact O-N 3.19Å; L1929-L1931 VanDerWaalsContact C-N 3.34Å; L1929-L1931 PolarHBondContact O-N 3.35Å; L1929-Q1932 WeakPolarHBondContact O-CB 3.4Å; L1929-Q1932 PolarHBondContact O-N 3.18Å; L1929-T1933 WeakPolarHBondContact O-CA 3.28Å; L1929-T1933 WeakPolarHBondContact O-CB 3.35Å; L1929-T1933 PolarHBondContact O-N 3.04Å; L1929-T1933 PolarHBondContact O-OG1 3.27Å; L1929-I1958 HydrophobicContact CB-CD1 3.98Å; L1929-I1958 HydrophobicContact CD1-CD1 3.98Å; L1929-I1958 HydrophobicContact CD2-CD1 3.99Å; L1929-I1958 HydrophobicContact CG-CD1 4.31Å; L1929-T1965 HydrophobicContact CD2-CG2 3.97Å; L1929-P1973 HydrophobicContact CD1-CB 3.85Å; L1929-P1973 HydrophobicContact CD2-CB 4.12Å |
| 1930 | L | 37.2 | Very low | 36 | Very low | 51 Ų | 51 | 86.6 Ų | 86.6 | 27% | 0.267 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.1 | -38.9 | 172.2 | -73.1 | 170.1 | 0 | 0 | 0 | 111.4 | I1926 E1927 N1928 T1933 R1934 I1958 T1959 T1962 F2081 | I1926-L1930 HydrophobicContact CG2-CD1 3.86Å; I1926-L1930 HydrophobicContact CG2-CG 4.24Å; I1926-L1930 WeakPolarHBondContact O-CA 3.47Å; I1926-L1930 WeakPolarHBondContact O-CB 3.43Å; I1926-L1930 WeakPolarHBondContact O-CD1 3.44Å; I1926-L1930 VanDerWaalsContact O-CG 3.28Å; I1926-L1930 WeakPolarHBondContact O-CG 3.38Å; I1926-L1930 PolarHBondContact O-N 3.03Å; E1927-L1930 CarbonylContact O-C 2.66Å; E1927-L1930 PolarHBondContact O-N 3.31Å; N1928-L1930 VanDerWaalsContact C-N 3.34Å; L1930-T1933 PolarHBondContact O-N 3.17Å; L1930-R1934 WeakPolarHBondContact O-CA 3.33Å; L1930-R1934 VanDerWaalsContact O-CB 3.28Å; L1930-R1934 WeakPolarHBondContact O-CB 3.3Å; L1930-R1934 PolarHBondContact O-N 3.21Å; L1930-I1958 HydrophobicContact CD1-CG1 4.45Å; L1930-I1958 HydrophobicContact CD1-CG2 4.4Å; L1930-I1958 HydrophobicContact CD2-CB 4.47Å; L1930-I1958 HydrophobicContact CD2-CG1 4.12Å; L1930-I1958 HydrophobicContact CD2-CG2 4.12Å; L1930-I1958 HydrophobicContact CG-CG2 4.11Å; L1930-T1959 VanDerWaalsContact CD2-OG1 3.25Å; L1930-T1959 WeakPolarHBondContact CD2-OG1 3.32Å; L1930-T1962 HydrophobicContact CD1-CG2 4.15Å; L1930-F2081 HydrophobicContact CB-CZ 4.26Å; L1930-F2081 HydrophobicContact CD1-CE1 4.17Å; L1930-F2081 HydrophobicContact CD1-CZ 4.03Å; L1930-F2081 HydrophobicContact CD2-CZ 4.32Å; L1930-F2081 HydrophobicContact CG-CZ 4.43Å |
| 1931 | L | 42.6 | Very low | 35.9 | Very low | 76.8 Ų | 76.8 | 88.5 Ų | 88.5 | 40% | 0.402 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66 | -40.9 | 172.3 | -92.8 | 158.7 | 0 | 0 | 0 | 111.9 | E1927 N1928 L1929 T1933 R1934 N1935 | E1927-L1931 HydrophobicContact CG-CD1 4.09Å; E1927-L1931 HydrophobicContact CG-CG 4.35Å; E1927-L1931 WeakPolarHBondContact O-CA 3.28Å; E1927-L1931 WeakPolarHBondContact O-CB 3.33Å; E1927-L1931 WeakPolarHBondContact O-CD1 3.28Å; E1927-L1931 WeakPolarHBondContact O-CG 3.27Å; E1927-L1931 PolarHBondContact O-N 3.07Å; N1928-L1931 CarbonylContact O-C 2.64Å; N1928-L1931 PolarHBondContact O-N 3.25Å; L1929-L1931 VanDerWaalsContact C-N 3.34Å; L1929-L1931 PolarHBondContact O-N 3.35Å; L1931-T1933 VanDerWaalsContact C-N 3.3Å; L1931-T1933 PolarHBondContact O-N 3.36Å; L1931-R1934 PolarHBondContact O-N 3.03Å; L1931-N1935 WeakPolarHBondContact O-CA 3.3Å; L1931-N1935 VanDerWaalsContact O-CB 3.29Å; L1931-N1935 WeakPolarHBondContact O-CB 3.26Å; L1931-N1935 PolarHBondContact O-N 3.16Å; L1931-N1935 PolarHBondContact O-ND2 3.32Å; L1931-N1935 VanDerWaalsContact O-ND2 3.12Å; L1931-N1935 PolarHBondContact O-OD1 3.42Å |
| 1932 | Q | 39 | Very low | 35.8 | Very low | 108.6 Ų | 108.6 | 89.9 Ų | 89.9 | 51% | 0.507 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.1 | -40.1 | 174.3 | -76.2 | -179.5 | 6.7 | 0 | 0 | 111.7 | N1928 L1929 R1934 N1935 K1936 | N1928-Q1932 WeakPolarHBondContact O-CA 3.34Å; N1928-Q1932 WeakPolarHBondContact O-CB 3.4Å; N1928-Q1932 WeakPolarHBondContact O-CG 3.39Å; N1928-Q1932 PolarHBondContact O-N 3.33Å; L1929-Q1932 WeakPolarHBondContact O-CB 3.4Å; L1929-Q1932 PolarHBondContact O-N 3.18Å; Q1932-R1934 VanDerWaalsContact C-N 3.35Å; Q1932-R1934 PolarHBondContact O-N 3.38Å; Q1932-N1935 PolarHBondContact O-N 3.03Å; Q1932-K1936 VanDerWaalsContact O-CB 3.3Å; Q1932-K1936 WeakPolarHBondContact O-CB 3.21Å; Q1932-K1936 WeakPolarHBondContact O-CD 3.46Å; Q1932-K1936 VanDerWaalsContact O-CG 3.28Å; Q1932-K1936 WeakPolarHBondContact O-CG 3.39Å; Q1932-K1936 PolarHBondContact O-N 2.93Å |
| 1933 | T | 35.7 | Very low | 35.6 | Very low | 36.2 Ų | 36.2 | 93.6 Ų | 93.6 | 22% | 0.222 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -67.9 | -45 | 175.9 | -52.2 | 0 | 0 | 0 | 0 | 110.7 | L1929 L1930 L1931 N1935 K1936 V1937 | L1929-T1933 WeakPolarHBondContact O-CA 3.28Å; L1929-T1933 WeakPolarHBondContact O-CB 3.35Å; L1929-T1933 PolarHBondContact O-N 3.04Å; L1929-T1933 PolarHBondContact O-OG1 3.27Å; L1930-T1933 PolarHBondContact O-N 3.17Å; L1931-T1933 VanDerWaalsContact C-N 3.3Å; L1931-T1933 PolarHBondContact O-N 3.36Å; T1933-N1935 VanDerWaalsContact C-N 3.34Å; T1933-N1935 PolarHBondContact O-N 2.86Å; T1933-K1936 CarbonylContact O-C 3.03Å; T1933-K1936 PolarHBondContact O-N 3Å; T1933-V1937 HydrophobicContact CG2-CG2 4.38Å; T1933-V1937 VanDerWaalsContact O-CB 3.29Å; T1933-V1937 WeakPolarHBondContact O-CB 3.25Å; T1933-V1937 VanDerWaalsContact O-CG2 3.23Å; T1933-V1937 WeakPolarHBondContact O-CG2 3.31Å; T1933-V1937 PolarHBondContact O-N 3.1Å |
| 1934 | R | 34.9 | Very low | 35.4 | Very low | 130.8 Ų | 130.8 | 92.9 Ų | 92.9 | 49% | 0.494 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.9 | -43.7 | 173.4 | -175 | 175.9 | -178.5 | 177.7 | 0 | 111.1 | L1930 L1931 Q1932 K1936 V1937 N1938 E1975 | L1930-R1934 WeakPolarHBondContact O-CA 3.33Å; L1930-R1934 VanDerWaalsContact O-CB 3.28Å; L1930-R1934 WeakPolarHBondContact O-CB 3.3Å; L1930-R1934 PolarHBondContact O-N 3.21Å; L1931-R1934 PolarHBondContact O-N 3.03Å; Q1932-R1934 VanDerWaalsContact C-N 3.35Å; Q1932-R1934 PolarHBondContact O-N 3.38Å; R1934-K1936 VanDerWaalsContact C-N 3.25Å; R1934-K1936 PolarHBondContact O-N 2.71Å; R1934-V1937 CarbonylContact O-C 3.24Å; R1934-V1937 WeakPolarHBondContact O-CA 3.49Å; R1934-V1937 PolarHBondContact O-N 3.25Å; R1934-N1938 WeakPolarHBondContact O-CA 3.4Å; R1934-N1938 WeakPolarHBondContact O-CB 3.27Å; R1934-N1938 PolarHBondContact O-N 2.98Å; R1934-N1938 PolarHBondContact O-ND2 3.19Å; R1934-N1938 VanDerWaalsContact O-ND2 3.08Å; R1934-N1938 PolarHBondContact O-OD1 2.96Å; R1934-E1975 IonicContact CZ-OE1 3.97Å; R1934-E1975 IonicContact NH1-OE1 2.65Å; R1934-E1975 PolarHBondContact NH1-OE1 2.71Å; R1934-E1975 IonicContact NH2-OE1 2.66Å |
| 1935 | N | 39.5 | Very low | 34.9 | Very low | 95 Ų | 95 | 92.8 Ų | 92.8 | 51% | 0.508 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69 | -36.6 | 177 | -70.8 | -13.9 | 0 | 0 | 0 | 112.3 | L1931 Q1932 T1933 V1937 N1938 S1939 | L1931-N1935 WeakPolarHBondContact O-CA 3.3Å; L1931-N1935 VanDerWaalsContact O-CB 3.29Å; L1931-N1935 WeakPolarHBondContact O-CB 3.26Å; L1931-N1935 PolarHBondContact O-N 3.16Å; L1931-N1935 PolarHBondContact O-ND2 3.32Å; L1931-N1935 VanDerWaalsContact O-ND2 3.12Å; L1931-N1935 PolarHBondContact O-OD1 3.42Å; Q1932-N1935 PolarHBondContact O-N 3.03Å; T1933-N1935 VanDerWaalsContact C-N 3.34Å; T1933-N1935 PolarHBondContact O-N 2.86Å; N1935-V1937 PolarHBondContact O-N 3.05Å; N1935-N1938 PolarHBondContact O-N 3.23Å; N1935-N1938 PolarHBondContact OD1-ND2 3.2Å; N1935-S1939 WeakPolarHBondContact O-CA 3.27Å; N1935-S1939 WeakPolarHBondContact O-CB 3.29Å; N1935-S1939 PolarHBondContact O-N 3.3Å; N1935-S1939 VanDerWaalsContact O-N 3.1Å; N1935-S1939 PolarHBondContact O-OG 3.23Å; N1935-S1939 VanDerWaalsContact O-OG 3.09Å |
| 1936 | K | 36.7 | Very low | 34.4 | Very low | 116.4 Ų | 116.4 | 93.6 Ų | 93.6 | 51% | 0.506 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 172.1 | -78.7 | -179.1 | 177.6 | -174.9 | 0 | 112.3 | Q1932 T1933 R1934 N1938 S1939 K1940 E1948 D1951 | Q1932-K1936 VanDerWaalsContact O-CB 3.3Å; Q1932-K1936 WeakPolarHBondContact O-CB 3.21Å; Q1932-K1936 WeakPolarHBondContact O-CD 3.46Å; Q1932-K1936 VanDerWaalsContact O-CG 3.28Å; Q1932-K1936 WeakPolarHBondContact O-CG 3.39Å; Q1932-K1936 PolarHBondContact O-N 2.93Å; T1933-K1936 CarbonylContact O-C 3.03Å; T1933-K1936 PolarHBondContact O-N 3Å; R1934-K1936 VanDerWaalsContact C-N 3.25Å; R1934-K1936 PolarHBondContact O-N 2.71Å; K1936-N1938 PolarHBondContact O-N 2.83Å; K1936-S1939 VanDerWaalsContact CA-OG 3.29Å; K1936-S1939 WeakPolarHBondContact CA-OG 3.06Å; K1936-S1939 PolarHBondContact O-N 3.12Å; K1936-S1939 VanDerWaalsContact O-O 3.13Å; K1936-S1939 PolarHBondContact O-OG 3.27Å; K1936-S1939 VanDerWaalsContact O-OG 3.06Å; K1936-K1940 PolarHBondContact O-N 3.4Å; K1936-E1948 IonicContact NZ-OE1 2.8Å; K1936-E1948 PolarHBondContact NZ-OE1 3.06Å; K1936-D1951 IonicContact NZ-OD2 2.86Å; K1936-D1951 PolarHBondContact NZ-OD2 3.02Å |
| 1937 | V | 33.5 | Very low | 34.1 | Very low | 52 Ų | 52 | 94.6 Ų | 94.6 | 32% | 0.315 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.7 | -41.2 | 175.9 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | T1933 R1934 N1935 S1939 K1940 K1982 I2077 | T1933-V1937 HydrophobicContact CG2-CG2 4.38Å; T1933-V1937 VanDerWaalsContact O-CB 3.29Å; T1933-V1937 WeakPolarHBondContact O-CB 3.25Å; T1933-V1937 VanDerWaalsContact O-CG2 3.23Å; T1933-V1937 WeakPolarHBondContact O-CG2 3.31Å; T1933-V1937 PolarHBondContact O-N 3.1Å; R1934-V1937 CarbonylContact O-C 3.24Å; R1934-V1937 WeakPolarHBondContact O-CA 3.49Å; R1934-V1937 PolarHBondContact O-N 3.25Å; N1935-V1937 PolarHBondContact O-N 3.05Å; V1937-S1939 VanDerWaalsContact C-N 3.27Å; V1937-S1939 PolarHBondContact O-N 3Å; V1937-K1940 CarbonylContact O-C 3.56Å; V1937-K1940 VanDerWaalsContact O-CA 3.31Å; V1937-K1940 WeakPolarHBondContact O-CA 3.49Å; V1937-K1940 WeakPolarHBondContact O-CB 3.19Å; V1937-K1940 PolarHBondContact O-N 3.04Å; V1937-K1982 HydrophobicContact CG1-CB 4.05Å; V1937-K1982 HydrophobicContact CG1-CD 4.45Å; V1937-I2077 HydrophobicContact CG1-CD1 4.47Å |
| 1938 | N | 34.6 | Very low | 33.6 | Very low | 68.6 Ų | 68.6 | 95.2 Ų | 95.2 | 37% | 0.367 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.1 | -29.8 | 176.5 | -70.6 | -9.9 | 0 | 0 | 0 | 113.1 | R1934 N1935 K1936 K1940 R1941 M1949 K1982 L2074 | R1934-N1938 WeakPolarHBondContact O-CA 3.4Å; R1934-N1938 WeakPolarHBondContact O-CB 3.27Å; R1934-N1938 PolarHBondContact O-N 2.98Å; R1934-N1938 PolarHBondContact O-ND2 3.19Å; R1934-N1938 VanDerWaalsContact O-ND2 3.08Å; R1934-N1938 PolarHBondContact O-OD1 2.96Å; N1935-N1938 PolarHBondContact O-N 3.23Å; N1935-N1938 PolarHBondContact OD1-ND2 3.2Å; K1936-N1938 PolarHBondContact O-N 2.83Å; N1938-K1940 VanDerWaalsContact C-N 3.27Å; N1938-K1940 PolarHBondContact O-N 2.85Å; N1938-K1940 VanDerWaalsContact O-N 3.09Å; N1938-R1941 PolarHBondContact O-N 3.19Å; N1938-R1941 VanDerWaalsContact O-N 3.17Å; N1938-M1949 VanDerWaalsContact OD1-CE 3.29Å; N1938-M1949 WeakPolarHBondContact OD1-CE 3.25Å; N1938-K1982 PolarHBondContact OD1-NZ 3.32Å; N1938-L2074 HydrophobicContact CB-CD1 4.03Å; N1938-L2074 WeakPolarHBondContact OD1-CD1 3.28Å; N1938-L2074 WeakPolarHBondContact OD1-CD2 3.39Å; N1938-L2074 WeakPolarHBondContact OD1-CG 3.23Å |
| 1939 | S | 35.7 | Very low | 33.1 | Very low | 71.6 Ų | 71.6 | 94.1 Ų | 94.1 | 50% | 0.501 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -8.4 | -178.6 | 73.8 | 0 | 0 | 0 | 0 | 112.7 | N1935 K1936 V1937 R1941 | N1935-S1939 WeakPolarHBondContact O-CA 3.27Å; N1935-S1939 WeakPolarHBondContact O-CB 3.29Å; N1935-S1939 PolarHBondContact O-N 3.3Å; N1935-S1939 VanDerWaalsContact O-N 3.1Å; N1935-S1939 PolarHBondContact O-OG 3.23Å; N1935-S1939 VanDerWaalsContact O-OG 3.09Å; K1936-S1939 VanDerWaalsContact CA-OG 3.29Å; K1936-S1939 WeakPolarHBondContact CA-OG 3.06Å; K1936-S1939 PolarHBondContact O-N 3.12Å; K1936-S1939 VanDerWaalsContact O-O 3.13Å; K1936-S1939 PolarHBondContact O-OG 3.27Å; K1936-S1939 VanDerWaalsContact O-OG 3.06Å; V1937-S1939 VanDerWaalsContact C-N 3.27Å; V1937-S1939 PolarHBondContact O-N 3Å; S1939-R1941 VanDerWaalsContact C-N 3.29Å; S1939-R1941 WeakPolarHBondContact O-CG 3.32Å; S1939-R1941 PolarHBondContact O-N 2.88Å; S1939-R1941 PolarHBondContact OG-N 3.22Å; S1939-R1941 PolarHBondContact OG-O 2.63Å |
| 1940 | K | 32 | Very low | 33 | Very low | 128.4 Ų | 128.4 | 93.8 Ų | 93.8 | 56% | 0.558 | 46% | 0.464 | S | S | * | . | trans | -29 | 70.4 | 176.4 | -74 | -173.6 | 176.9 | -177 | 0 | 112.3 | K1936 V1937 N1938 H1942 E1985 Y2025 E2070 | K1936-K1940 PolarHBondContact O-N 3.4Å; V1937-K1940 CarbonylContact O-C 3.56Å; V1937-K1940 VanDerWaalsContact O-CA 3.31Å; V1937-K1940 WeakPolarHBondContact O-CA 3.49Å; V1937-K1940 WeakPolarHBondContact O-CB 3.19Å; V1937-K1940 PolarHBondContact O-N 3.04Å; N1938-K1940 VanDerWaalsContact C-N 3.27Å; N1938-K1940 PolarHBondContact O-N 2.85Å; N1938-K1940 VanDerWaalsContact O-N 3.09Å; K1940-H1942 WeakPolarHBondContact O-CB 3.33Å; K1940-H1942 PolarHBondContact O-CD2 2.91Å; K1940-H1942 PolarHBondContact O-CE1 2.88Å; K1940-H1942 PolarHBondContact O-N 2.81Å; K1940-H1942 PolarHBondContact O-ND1 2.82Å; K1940-E1985 IonicContact NZ-OE1 3.3Å; K1940-E1985 PolarHBondContact NZ-OE1 2.99Å; K1940-E1985 IonicContact NZ-OE2 2.68Å; K1940-E1985 PolarHBondContact NZ-OE2 2.82Å; K1940-Y2025 HydrophobicContact CD-CD2 4.35Å; K1940-Y2025 HydrophobicContact CD-CE2 4.11Å; K1940-Y2025 HydrophobicContact CG-CD2 4.14Å; K1940-Y2025 HydrophobicContact CG-CE2 3.84Å; K1940-E2070 WeakPolarHBondContact CE-OE2 3.44Å; K1940-E2070 WeakPolarHBondContact CG-OE1 3.39Å; K1940-E2070 WeakPolarHBondContact CG-OE2 3.1Å | ||
| 1941 | R | 27.5 | Very low | 32.8 | Very low | 147.2 Ų | 147.2 | 95.2 Ų | 95.2 | 56% | 0.555 | 47% | 0.471 | S | S | * | . | trans | -82.1 | 82.5 | 173 | -72 | -174.2 | 163.1 | -168.6 | -2.3 | 112.2 | F1332 V1338 N1404 V1406 N1938 S1939 Y1943 E2551 | F1332-R1941 VanDerWaalsContact CE2-NH1 3.34Å; V1338-R1941 VanDerWaalsContact CG1-NH2 3.29Å; N1404-R1941 PolarHBondContact O-NH2 3.45Å; V1406-R1941 VanDerWaalsContact CG2-NH2 3.33Å; N1938-R1941 PolarHBondContact O-N 3.19Å; N1938-R1941 VanDerWaalsContact O-N 3.17Å; S1939-R1941 VanDerWaalsContact C-N 3.29Å; S1939-R1941 WeakPolarHBondContact O-CG 3.32Å; S1939-R1941 PolarHBondContact O-N 2.88Å; S1939-R1941 PolarHBondContact OG-N 3.22Å; S1939-R1941 PolarHBondContact OG-O 2.63Å; R1941-Y1943 HydrophobicContact CB-CD2 4.17Å; R1941-Y1943 HydrophobicContact CB-CE2 3.85Å; R1941-Y1943 HydrophobicContact CG-CE2 3.66Å; R1941-Y1943 PolarHBondContact O-N 3.12Å; R1941-E2551 IonicContact CZ-OE1 2.65Å; R1941-E2551 VanDerWaalsContact CZ-OE1 3.3Å; R1941-E2551 IonicContact NH1-OE1 3.1Å; R1941-E2551 PolarHBondContact NH1-OE1 3.07Å; R1941-E2551 IonicContact NH1-OE2 2.7Å; R1941-E2551 PolarHBondContact NH1-OE2 3.02Å; R1941-E2551 IonicContact NH2-OE1 3.1Å; R1941-E2551 PolarHBondContact NH2-OE1 3.28Å; R1941-E2551 IonicContact NH2-OE2 2.73Å | ||
| 1942 | H | 30.6 | Very low | 32.6 | Very low | 108.4 Ų | 108.4 | 93.5 Ų | 93.5 | 50% | 0.502 | 46% | 0.462 | S | S | . | . | trans | -135.9 | 119.1 | 153.5 | -76.3 | -23.7 | 0 | 0 | 0 | 110.5 | K1940 F1944 H1988 | K1940-H1942 WeakPolarHBondContact O-CB 3.33Å; K1940-H1942 PolarHBondContact O-CD2 2.91Å; K1940-H1942 PolarHBondContact O-CE1 2.88Å; K1940-H1942 PolarHBondContact O-N 2.81Å; K1940-H1942 PolarHBondContact O-ND1 2.82Å; H1942-F1944 PolarHBondContact O-N 3.19Å; H1942-H1988 WeakPolarHBondContact CB-NE2 3.14Å; H1942-H1988 AromaticContact CD2-CD2 3.74Å; H1942-H1988 AromaticContact CD2-NE2 3.64Å; H1942-H1988 AromaticContact CG-CD2 3.63Å; H1942-H1988 AromaticContact CG-NE2 3.59Å; H1942-H1988 AromaticContact ND1-CD2 3.77Å | ||
| 1943 | Y | 26 | Very low | 32.5 | Very low | 168.6 Ų | 168.6 | 89.5 Ų | 89.5 | 66% | 0.661 | 45% | 0.445 | S | S | * | . | trans | -68.6 | 128.7 | 177.4 | -69.7 | -88.8 | 0 | 0 | 0 | 111.4 | R1941 V1945 G1947 L2017 | R1941-Y1943 HydrophobicContact CB-CD2 4.17Å; R1941-Y1943 HydrophobicContact CB-CE2 3.85Å; R1941-Y1943 HydrophobicContact CG-CE2 3.66Å; R1941-Y1943 PolarHBondContact O-N 3.12Å; Y1943-V1945 VanDerWaalsContact C-N 3.31Å; Y1943-V1945 PolarHBondContact O-N 3.36Å; Y1943-G1947 WeakPolarHBondContact CD1-O 3.36Å; Y1943-L2017 HydrophobicContact CD1-CD2 4.49Å; Y1943-L2017 HydrophobicContact CE1-CD2 3.78Å | ||
| 1944 | F | 28.6 | Very low | 32.6 | Very low | 85.4 Ų | 85.4 | 89.5 Ų | 89.5 | 38% | 0.375 | 45% | 0.447 | S | S | . | . | trans | -75.4 | 107.3 | 163.4 | -75.8 | -77.8 | 0 | 0 | 0 | 112.7 | H1942 N1946 G1947 E1948 M1949 D1950 D1951 F1986 H1988 L1990 R2058 | H1942-F1944 PolarHBondContact O-N 3.19Å; F1944-N1946 PolarHBondContact O-N 2.92Å; F1944-N1946 VanDerWaalsContact O-N 3.09Å; F1944-G1947 PolarHBondContact O-N 3.06Å; F1944-E1948 HydrophobicContact CD2-CB 3.75Å; F1944-E1948 VanDerWaalsContact CD2-O 3.29Å; F1944-E1948 WeakPolarHBondContact CD2-O 3.47Å; F1944-E1948 HydrophobicContact CE2-CB 4.35Å; F1944-E1948 PolarHBondContact N-O 3.11Å; F1944-E1948 VanDerWaalsContact N-O 3.12Å; F1944-M1949 HydrophobicContact CD1-CG 4.15Å; F1944-M1949 HydrophobicContact CD1-SD 4.38Å; F1944-M1949 HydrophobicContact CE1-CG 4.07Å; F1944-M1949 HydrophobicContact CE1-SD 3.71Å; F1944-M1949 HydrophobicContact CZ-SD 4.46Å; F1944-D1950 HydrophobicContact CE1-CB 4.38Å; F1944-D1950 HydrophobicContact CE2-CB 4.04Å; F1944-D1950 HydrophobicContact CZ-CB 3.82Å; F1944-D1950 VanDerWaalsContact CZ-OD1 3.27Å; F1944-D1950 WeakPolarHBondContact CZ-OD1 3.28Å; F1944-D1951 WeakPolarHBondContact CD1-OD1 3.15Å; F1944-F1986 HydrophobicContact CE1-CZ 4.12Å; F1944-F1986 AromaticContact CZ-CE2 3.96Å; F1944-F1986 HydrophobicContact CZ-CE2 3.96Å; F1944-F1986 AromaticContact CZ-CZ 3.82Å; F1944-F1986 HydrophobicContact CZ-CZ 3.82Å; F1944-H1988 AromaticContact CD2-CE1 3.88Å; F1944-H1988 AromaticContact CE1-CE1 3.52Å; F1944-H1988 AromaticContact CE2-CE1 3.24Å; F1944-H1988 WeakPolarHBondContact CE2-CE1 3.36Å; F1944-H1988 AromaticContact CE2-NE2 3.4Å; F1944-H1988 WeakPolarHBondContact CE2-NE2 3.35Å; F1944-H1988 AromaticContact CZ-CE1 3.05Å; F1944-H1988 WeakPolarHBondContact CZ-CE1 3.18Å; F1944-H1988 AromaticContact CZ-ND1 3.79Å; F1944-H1988 AromaticContact CZ-NE2 3.46Å; F1944-H1988 WeakPolarHBondContact CZ-NE2 3.28Å; F1944-L1990 HydrophobicContact CD2-CD1 4.4Å; F1944-L1990 HydrophobicContact CE1-CD1 3.96Å; F1944-L1990 HydrophobicContact CE2-CD1 3.56Å; F1944-L1990 HydrophobicContact CZ-CD1 3.3Å; F1944-R2058 VanDerWaalsContact CZ-NH2 3.27Å | ||
| 1945 | V | 28.6 | Very low | 32.7 | Very low | 88.2 Ų | 88.2 | 84 Ų | 84 | 54% | 0.535 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 108.1 | 170.3 | -175.1 | 0 | 0 | 0 | 0 | 108.2 | Y1943 G1947 | Y1943-V1945 VanDerWaalsContact C-N 3.31Å; Y1943-V1945 PolarHBondContact O-N 3.36Å; V1945-G1947 PolarHBondContact O-N 3.36Å |
| 1946 | N | 26.9 | Very low | 32.8 | Very low | 136 Ų | 136 | 81.3 Ų | 81.3 | 73% | 0.727 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 65 | 158.6 | -76.8 | -15.9 | 0 | 0 | 0 | 115.6 | F1944 E1948 | F1944-N1946 PolarHBondContact O-N 2.92Å; F1944-N1946 VanDerWaalsContact O-N 3.09Å; N1946-E1948 PolarHBondContact O-N 2.89Å |
| 1947 | G | 27.2 | Very low | 33 | Very low | 48 Ų | 48 | 77.4 Ų | 77.4 | 50% | 0.495 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 106.4 | -12 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y1943 F1944 V1945 M1949 D1950 | Y1943-G1947 WeakPolarHBondContact CD1-O 3.36Å; F1944-G1947 PolarHBondContact O-N 3.06Å; V1945-G1947 PolarHBondContact O-N 3.36Å; G1947-M1949 VanDerWaalsContact C-N 3.29Å; G1947-M1949 PolarHBondContact O-N 3.09Å; G1947-D1950 WeakPolarHBondContact O-CB 3.2Å; G1947-D1950 PolarHBondContact O-N 3.02Å |
| 1948 | E | 29.3 | Very low | 33.3 | Very low | 122.8 Ų | 122.8 | 77.6 Ų | 77.6 | 57% | 0.574 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -70.1 | 41.2 | -179.5 | -62 | -172.1 | 148.3 | 0 | 0 | 113.7 | K1936 F1944 N1946 D1950 D1951 I1952 | K1936-E1948 IonicContact NZ-OE1 2.8Å; K1936-E1948 PolarHBondContact NZ-OE1 3.06Å; F1944-E1948 HydrophobicContact CD2-CB 3.75Å; F1944-E1948 VanDerWaalsContact CD2-O 3.29Å; F1944-E1948 WeakPolarHBondContact CD2-O 3.47Å; F1944-E1948 HydrophobicContact CE2-CB 4.35Å; F1944-E1948 PolarHBondContact N-O 3.11Å; F1944-E1948 VanDerWaalsContact N-O 3.12Å; N1946-E1948 PolarHBondContact O-N 2.89Å; E1948-D1950 VanDerWaalsContact C-N 3.31Å; E1948-D1950 PolarHBondContact O-N 3.16Å; E1948-D1951 WeakPolarHBondContact O-CB 3.23Å; E1948-D1951 PolarHBondContact O-N 3.15Å; E1948-I1952 PolarHBondContact O-N 3.32Å |
| 1949 | M | 30.2 | Very low | 33.6 | Very low | 67.4 Ų | 67.4 | 76.2 Ų | 76.2 | 33% | 0.332 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -89.3 | -6.1 | 158.5 | -86 | -84.6 | -106.8 | 0 | 0 | 112.1 | S1862 V1864 C1865 N1938 F1944 G1947 D1951 I1952 T1953 F1986 L1990 F2066 | S1862-M1949 VanDerWaalsContact CB-CE 3.44Å; S1862-M1949 WeakPolarHBondContact OG-CE 3.45Å; V1864-M1949 HydrophobicContact CB-CB 4.3Å; V1864-M1949 HydrophobicContact CB-CE 3.66Å; V1864-M1949 HydrophobicContact CB-CG 3.71Å; V1864-M1949 HydrophobicContact CB-SD 3.83Å; V1864-M1949 HydrophobicContact CG1-CE 4.45Å; V1864-M1949 HydrophobicContact CG2-CB 3.93Å; V1864-M1949 HydrophobicContact CG2-CG 3.88Å; V1864-M1949 HydrophobicContact CG2-SD 4.46Å; C1865-M1949 HydrophobicContact CB-CE 4.32Å; C1865-M1949 VanDerWaalsContact N-CE 3.29Å; N1938-M1949 VanDerWaalsContact OD1-CE 3.29Å; N1938-M1949 WeakPolarHBondContact OD1-CE 3.25Å; F1944-M1949 HydrophobicContact CD1-CG 4.15Å; F1944-M1949 HydrophobicContact CD1-SD 4.38Å; F1944-M1949 HydrophobicContact CE1-CG 4.07Å; F1944-M1949 HydrophobicContact CE1-SD 3.71Å; F1944-M1949 HydrophobicContact CZ-SD 4.46Å; G1947-M1949 VanDerWaalsContact C-N 3.29Å; G1947-M1949 PolarHBondContact O-N 3.09Å; M1949-D1951 VanDerWaalsContact C-N 3.29Å; M1949-D1951 PolarHBondContact O-N 3.23Å; M1949-I1952 PolarHBondContact O-N 3.09Å; M1949-I1952 VanDerWaalsContact O-N 3.1Å; M1949-I1952 HydrophobicContact SD-CB 4.13Å; M1949-I1952 HydrophobicContact SD-CG2 4.32Å; M1949-T1953 VanDerWaalsContact O-CB 3.24Å; M1949-T1953 WeakPolarHBondContact O-CB 3.38Å; M1949-T1953 PolarHBondContact O-N 3.13Å; M1949-T1953 PolarHBondContact O-OG1 3.11Å; M1949-F1986 HydrophobicContact SD-CE1 4.25Å; M1949-F1986 HydrophobicContact SD-CZ 4.03Å; M1949-L1990 HydrophobicContact CE-CD1 4.49Å; M1949-L1990 HydrophobicContact CE-CD2 4.04Å; M1949-L1990 HydrophobicContact SD-CD1 4.27Å; M1949-F2066 HydrophobicContact CE-CE1 3.87Å; M1949-F2066 HydrophobicContact CE-CZ 3.81Å; M1949-F2066 HydrophobicContact CG-CZ 4.48Å |
| 1950 | D | 35.8 | Very low | 33.9 | Very low | 62.6 Ų | 62.6 | 74 Ų | 74 | 34% | 0.335 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -73.2 | 8.7 | 179 | -103.2 | -5.9 | 0 | 0 | 0 | 110.6 | F1944 G1947 E1948 I1952 T1953 C1954 H1988 R2058 | F1944-D1950 HydrophobicContact CE1-CB 4.38Å; F1944-D1950 HydrophobicContact CE2-CB 4.04Å; F1944-D1950 HydrophobicContact CZ-CB 3.82Å; F1944-D1950 VanDerWaalsContact CZ-OD1 3.27Å; F1944-D1950 WeakPolarHBondContact CZ-OD1 3.28Å; G1947-D1950 WeakPolarHBondContact O-CB 3.2Å; G1947-D1950 PolarHBondContact O-N 3.02Å; E1948-D1950 VanDerWaalsContact C-N 3.31Å; E1948-D1950 PolarHBondContact O-N 3.16Å; D1950-I1952 PolarHBondContact O-N 2.84Å; D1950-T1953 WeakPolarHBondContact O-CB 3.36Å; D1950-T1953 PolarHBondContact O-N 3.24Å; D1950-T1953 PolarHBondContact O-OG1 3.03Å; D1950-T1953 VanDerWaalsContact OD2-CB 3.31Å; D1950-T1953 WeakPolarHBondContact OD2-CB 3.11Å; D1950-T1953 PolarHBondContact OD2-OG1 2.75Å; D1950-C1954 WeakPolarHBondContact O-CA 3.45Å; D1950-C1954 WeakPolarHBondContact O-CB 3.27Å; D1950-C1954 PolarHBondContact O-N 2.94Å; D1950-C1954 PolarHBondContact O-SG 3Å; D1950-H1988 IonicContact OD2-CE1 2.66Å; D1950-H1988 PolarHBondContact OD2-CE1 2.95Å; D1950-R2058 IonicContact OD1-CZ 3.85Å; D1950-R2058 IonicContact OD1-NH1 2.93Å; D1950-R2058 PolarHBondContact OD1-NH1 3.42Å; D1950-R2058 IonicContact OD1-NH2 2.71Å; D1950-R2058 IonicContact OD2-NH1 3.9Å |
| 1951 | D | 34.2 | Very low | 34.2 | Very low | 79.2 Ų | 79.2 | 69.1 Ų | 69.1 | 42% | 0.424 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.2 | -37.1 | 178.1 | -88 | -14.2 | 0 | 0 | 0 | 112.4 | K1936 F1944 E1948 M1949 T1953 C1954 G1955 Y1987 | K1936-D1951 IonicContact NZ-OD2 2.86Å; K1936-D1951 PolarHBondContact NZ-OD2 3.02Å; F1944-D1951 WeakPolarHBondContact CD1-OD1 3.15Å; E1948-D1951 WeakPolarHBondContact O-CB 3.23Å; E1948-D1951 PolarHBondContact O-N 3.15Å; M1949-D1951 VanDerWaalsContact C-N 3.29Å; M1949-D1951 PolarHBondContact O-N 3.23Å; D1951-T1953 VanDerWaalsContact C-N 3.31Å; D1951-T1953 PolarHBondContact O-N 3.08Å; D1951-C1954 CarbonylContact O-C 3.59Å; D1951-C1954 WeakPolarHBondContact O-CB 3.36Å; D1951-C1954 PolarHBondContact O-N 3.25Å; D1951-C1954 VanDerWaalsContact O-N 3.11Å; D1951-G1955 WeakPolarHBondContact O-CA 3.2Å; D1951-G1955 PolarHBondContact O-N 3.12Å; D1951-Y1987 WeakPolarHBondContact CB-OH 3.29Å; D1951-Y1987 PolarHBondContact OD2-OH 3.12Å; D1951-Y1987 VanDerWaalsContact OD2-OH 3.08Å |
| 1952 | I | 37 | Very low | 34.7 | Very low | 41.6 Ų | 41.6 | 63.5 Ų | 63.5 | 21% | 0.213 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 173.5 | -59.8 | 177.4 | 0 | 0 | 0 | 110.5 | E1948 M1949 D1950 G1955 I1956 F1986 Y1987 F2066 | E1948-I1952 PolarHBondContact O-N 3.32Å; M1949-I1952 PolarHBondContact O-N 3.09Å; M1949-I1952 VanDerWaalsContact O-N 3.1Å; M1949-I1952 HydrophobicContact SD-CB 4.13Å; M1949-I1952 HydrophobicContact SD-CG2 4.32Å; D1950-I1952 PolarHBondContact O-N 2.84Å; I1952-G1955 CarbonylContact O-C 3.59Å; I1952-G1955 PolarHBondContact O-N 3.17Å; I1952-I1956 HydrophobicContact CG2-CD1 3.85Å; I1952-I1956 HydrophobicContact CG2-CG1 4.34Å; I1952-I1956 VanDerWaalsContact O-CB 3.3Å; I1952-I1956 WeakPolarHBondContact O-CB 3.23Å; I1952-I1956 WeakPolarHBondContact O-CD1 3.06Å; I1952-I1956 VanDerWaalsContact O-CG1 3.27Å; I1952-I1956 WeakPolarHBondContact O-CG1 3.29Å; I1952-I1956 PolarHBondContact O-N 3.04Å; I1952-F1986 HydrophobicContact CD1-CE1 4.03Å; I1952-F1986 HydrophobicContact CD1-CE2 3.65Å; I1952-F1986 HydrophobicContact CD1-CZ 3.37Å; I1952-F1986 HydrophobicContact CG2-CD1 4.46Å; I1952-F1986 HydrophobicContact CG2-CE1 4.08Å; I1952-F1986 HydrophobicContact CG2-CZ 4.48Å; I1952-Y1987 HydrophobicContact CD1-CE1 4.34Å; I1952-Y1987 HydrophobicContact CG1-CE1 4.06Å; I1952-F2066 HydrophobicContact CD1-CD1 4.5Å; I1952-F2066 HydrophobicContact CD1-CE1 3.66Å; I1952-F2066 HydrophobicContact CD1-CZ 4.12Å; I1952-F2066 HydrophobicContact CG1-CD1 4.48Å; I1952-F2066 HydrophobicContact CG1-CE1 3.75Å |
| 1953 | T | 38.5 | Very low | 35.1 | Very low | 24.2 Ų | 24.2 | 60.3 Ų | 60.3 | 15% | 0.148 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.6 | -40.6 | 178.1 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | V1864 M1949 D1950 D1951 G1955 I1956 L1957 T1984 Y1987 A2069 I2073 | V1864-T1953 HydrophobicContact CG1-CG2 4.11Å; V1864-T1953 HydrophobicContact CG2-CG2 4.36Å; M1949-T1953 VanDerWaalsContact O-CB 3.24Å; M1949-T1953 WeakPolarHBondContact O-CB 3.38Å; M1949-T1953 PolarHBondContact O-N 3.13Å; M1949-T1953 PolarHBondContact O-OG1 3.11Å; D1950-T1953 WeakPolarHBondContact O-CB 3.36Å; D1950-T1953 PolarHBondContact O-N 3.24Å; D1950-T1953 PolarHBondContact O-OG1 3.03Å; D1950-T1953 VanDerWaalsContact OD2-CB 3.31Å; D1950-T1953 WeakPolarHBondContact OD2-CB 3.11Å; D1950-T1953 PolarHBondContact OD2-OG1 2.75Å; D1951-T1953 VanDerWaalsContact C-N 3.31Å; D1951-T1953 PolarHBondContact O-N 3.08Å; T1953-G1955 VanDerWaalsContact C-N 3.29Å; T1953-G1955 PolarHBondContact O-N 3.39Å; T1953-I1956 CarbonylContact O-C 3.55Å; T1953-I1956 WeakPolarHBondContact O-CB 3.47Å; T1953-I1956 PolarHBondContact O-N 2.99Å; T1953-L1957 HydrophobicContact CG2-CD1 4Å; T1953-L1957 HydrophobicContact CG2-CG 4.27Å; T1953-L1957 WeakPolarHBondContact O-CA 3.32Å; T1953-L1957 VanDerWaalsContact O-CB 3.28Å; T1953-L1957 WeakPolarHBondContact O-CB 3.24Å; T1953-L1957 WeakPolarHBondContact O-CD1 3.2Å; T1953-L1957 VanDerWaalsContact O-CG 3.22Å; T1953-L1957 WeakPolarHBondContact O-CG 3.33Å; T1953-L1957 PolarHBondContact O-N 3.28Å; T1953-T1984 HydrophobicContact CG2-CG2 3.89Å; T1953-Y1987 HydrophobicContact CG2-CD1 4.22Å; T1953-Y1987 HydrophobicContact CG2-CE1 4.41Å; T1953-Y1987 WeakPolarHBondContact OG1-CD1 3.16Å; T1953-Y1987 WeakPolarHBondContact OG1-CE1 3.04Å; T1953-A2069 HydrophobicContact CG2-CB 4.34Å; T1953-I2073 HydrophobicContact CG2-CD1 3.67Å; T1953-I2073 HydrophobicContact CG2-CG1 3.83Å |
| 1954 | C | 37.2 | Very low | 35.6 | Very low | 38 Ų | 38 | 54 Ų | 54 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 171.1 | -77.1 | 0 | 0 | 0 | 0 | 111.4 | D1950 D1951 I1956 L1957 I1958 | D1950-C1954 WeakPolarHBondContact O-CA 3.45Å; D1950-C1954 WeakPolarHBondContact O-CB 3.27Å; D1950-C1954 PolarHBondContact O-N 2.94Å; D1950-C1954 PolarHBondContact O-SG 3Å; D1951-C1954 CarbonylContact O-C 3.59Å; D1951-C1954 WeakPolarHBondContact O-CB 3.36Å; D1951-C1954 PolarHBondContact O-N 3.25Å; D1951-C1954 VanDerWaalsContact O-N 3.11Å; C1954-I1956 VanDerWaalsContact C-N 3.3Å; C1954-I1956 PolarHBondContact O-N 3.49Å; C1954-L1957 PolarHBondContact O-N 3.28Å; C1954-I1958 HydrophobicContact CB-CD1 4.45Å; C1954-I1958 WeakPolarHBondContact O-CA 3.46Å; C1954-I1958 VanDerWaalsContact O-CB 3.31Å; C1954-I1958 WeakPolarHBondContact O-CB 3.25Å; C1954-I1958 WeakPolarHBondContact O-CD1 3.24Å; C1954-I1958 WeakPolarHBondContact O-CG1 3.22Å; C1954-I1958 PolarHBondContact O-N 3.1Å |
| 1955 | G | 37.3 | Very low | 35.9 | Very low | 14.8 Ų | 14.8 | 52.4 Ų | 52.4 | 15% | 0.153 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1951 I1952 T1953 I1958 T1959 | D1951-G1955 WeakPolarHBondContact O-CA 3.2Å; D1951-G1955 PolarHBondContact O-N 3.12Å; I1952-G1955 CarbonylContact O-C 3.59Å; I1952-G1955 PolarHBondContact O-N 3.17Å; T1953-G1955 VanDerWaalsContact C-N 3.29Å; T1953-G1955 PolarHBondContact O-N 3.39Å; G1955-I1958 PolarHBondContact O-N 3.3Å; G1955-T1959 WeakPolarHBondContact O-CB 3.32Å; G1955-T1959 PolarHBondContact O-N 3.24Å; G1955-T1959 PolarHBondContact O-OG1 3.05Å |
| 1956 | I | 41.4 | Very low | 36.2 | Very low | 37.6 Ų | 37.6 | 53.5 Ų | 53.5 | 19% | 0.193 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.1 | -46.3 | 174.1 | -69.2 | 166.7 | 0 | 0 | 0 | 110.5 | I1952 T1953 C1954 T1959 L1960 M1980 F1983 L2054 I2073 | I1952-I1956 HydrophobicContact CG2-CD1 3.85Å; I1952-I1956 HydrophobicContact CG2-CG1 4.34Å; I1952-I1956 VanDerWaalsContact O-CB 3.3Å; I1952-I1956 WeakPolarHBondContact O-CB 3.23Å; I1952-I1956 WeakPolarHBondContact O-CD1 3.06Å; I1952-I1956 VanDerWaalsContact O-CG1 3.27Å; I1952-I1956 WeakPolarHBondContact O-CG1 3.29Å; I1952-I1956 PolarHBondContact O-N 3.04Å; T1953-I1956 CarbonylContact O-C 3.55Å; T1953-I1956 WeakPolarHBondContact O-CB 3.47Å; T1953-I1956 PolarHBondContact O-N 2.99Å; C1954-I1956 VanDerWaalsContact C-N 3.3Å; C1954-I1956 PolarHBondContact O-N 3.49Å; I1956-T1959 PolarHBondContact O-N 2.98Å; I1956-L1960 HydrophobicContact CG2-CD1 3.71Å; I1956-L1960 HydrophobicContact CG2-CG 4.28Å; I1956-L1960 VanDerWaalsContact O-CB 3.27Å; I1956-L1960 WeakPolarHBondContact O-CB 3.41Å; I1956-L1960 VanDerWaalsContact O-CG 3.26Å; I1956-L1960 WeakPolarHBondContact O-CG 3.4Å; I1956-L1960 PolarHBondContact O-N 3.15Å; I1956-M1980 HydrophobicContact CB-CE 4.24Å; I1956-M1980 HydrophobicContact CG1-CE 3.73Å; I1956-M1980 HydrophobicContact CG2-CE 4.42Å; I1956-F1983 HydrophobicContact CD1-CD2 3.44Å; I1956-F1983 VanDerWaalsContact CD1-CD2 3.44Å; I1956-F1983 HydrophobicContact CD1-CE2 3.46Å; I1956-F1983 VanDerWaalsContact CD1-CE2 3.46Å; I1956-F1983 HydrophobicContact CD1-CG 4.33Å; I1956-F1983 HydrophobicContact CD1-CZ 4.37Å; I1956-F1983 HydrophobicContact CG1-CD2 4.27Å; I1956-F1983 HydrophobicContact CG2-CE1 4.17Å; I1956-L2054 HydrophobicContact CD1-CD1 3.61Å; I1956-L2054 HydrophobicContact CD1-CD2 3.81Å; I1956-L2054 HydrophobicContact CD1-CG 4.38Å; I1956-I2073 HydrophobicContact CD1-CG2 4.17Å; I1956-I2073 HydrophobicContact CG1-CG2 4.31Å |
| 1957 | L | 40.9 | Very low | 36.4 | Very low | 34 Ų | 34 | 48.9 Ų | 48.9 | 18% | 0.178 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 178.3 | -79.6 | 164.9 | 0 | 0 | 0 | 112.1 | M1815 T1953 C1954 T1959 L1960 T1961 M1980 F1983 T1984 I2073 S2076 | M1815-L1957 HydrophobicContact CE-CD1 3.55Å; M1815-L1957 HydrophobicContact SD-CD1 3.85Å; T1953-L1957 HydrophobicContact CG2-CD1 4Å; T1953-L1957 HydrophobicContact CG2-CG 4.27Å; T1953-L1957 WeakPolarHBondContact O-CA 3.32Å; T1953-L1957 VanDerWaalsContact O-CB 3.28Å; T1953-L1957 WeakPolarHBondContact O-CB 3.24Å; T1953-L1957 WeakPolarHBondContact O-CD1 3.2Å; T1953-L1957 VanDerWaalsContact O-CG 3.22Å; T1953-L1957 WeakPolarHBondContact O-CG 3.33Å; T1953-L1957 PolarHBondContact O-N 3.28Å; C1954-L1957 PolarHBondContact O-N 3.28Å; L1957-T1959 VanDerWaalsContact C-N 3.34Å; L1957-L1960 PolarHBondContact O-N 2.72Å; L1957-T1961 WeakPolarHBondContact O-CA 3.22Å; L1957-T1961 WeakPolarHBondContact O-CB 3.32Å; L1957-T1961 PolarHBondContact O-N 3.13Å; L1957-T1961 PolarHBondContact O-OG1 3.03Å; L1957-M1980 HydrophobicContact CB-SD 4.45Å; L1957-M1980 HydrophobicContact CD2-CB 4Å; L1957-M1980 HydrophobicContact CD2-CG 4.34Å; L1957-M1980 HydrophobicContact CD2-SD 3.78Å; L1957-M1980 VanDerWaalsContact CD2-SD 3.56Å; L1957-F1983 HydrophobicContact CD2-CD1 4.38Å; L1957-T1984 HydrophobicContact CD1-CG2 4.17Å; L1957-T1984 VanDerWaalsContact CD1-OG1 3.28Å; L1957-T1984 WeakPolarHBondContact CD1-OG1 3.26Å; L1957-T1984 WeakPolarHBondContact CD2-OG1 3.38Å; L1957-I2073 HydrophobicContact CD1-CG1 4Å; L1957-I2073 HydrophobicContact CG-CG1 4.34Å; L1957-S2076 VanDerWaalsContact CD2-CB 3.41Å |
| 1958 | I | 40.1 | Very low | 36.6 | Very low | 57.4 Ų | 57.4 | 50.2 Ų | 50.2 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 175.4 | -69.4 | 164.2 | 0 | 0 | 0 | 109.7 | F1814 I1926 L1929 L1930 C1954 G1955 T1961 T1962 | F1814-I1958 HydrophobicContact CD1-CD1 4.4Å; F1814-I1958 HydrophobicContact CD1-CG1 4.45Å; F1814-I1958 HydrophobicContact CE1-CD1 3.82Å; F1814-I1958 HydrophobicContact CE1-CG1 3.51Å; F1814-I1958 HydrophobicContact CZ-CD1 4.2Å; F1814-I1958 HydrophobicContact CZ-CG1 3.91Å; I1926-I1958 HydrophobicContact CG2-CG2 4.11Å; L1929-I1958 HydrophobicContact CB-CD1 3.98Å; L1929-I1958 HydrophobicContact CD1-CD1 3.98Å; L1929-I1958 HydrophobicContact CD2-CD1 3.99Å; L1929-I1958 HydrophobicContact CG-CD1 4.31Å; L1930-I1958 HydrophobicContact CD1-CG1 4.45Å; L1930-I1958 HydrophobicContact CD1-CG2 4.4Å; L1930-I1958 HydrophobicContact CD2-CB 4.47Å; L1930-I1958 HydrophobicContact CD2-CG1 4.12Å; L1930-I1958 HydrophobicContact CD2-CG2 4.12Å; L1930-I1958 HydrophobicContact CG-CG2 4.11Å; C1954-I1958 HydrophobicContact CB-CD1 4.45Å; C1954-I1958 WeakPolarHBondContact O-CA 3.46Å; C1954-I1958 VanDerWaalsContact O-CB 3.31Å; C1954-I1958 WeakPolarHBondContact O-CB 3.25Å; C1954-I1958 WeakPolarHBondContact O-CD1 3.24Å; C1954-I1958 WeakPolarHBondContact O-CG1 3.22Å; C1954-I1958 PolarHBondContact O-N 3.1Å; G1955-I1958 PolarHBondContact O-N 3.3Å; I1958-T1961 CarbonylContact O-C 3.36Å; I1958-T1961 PolarHBondContact O-N 3.15Å; I1958-T1962 WeakPolarHBondContact O-CA 3.16Å; I1958-T1962 VanDerWaalsContact O-CB 3.27Å; I1958-T1962 WeakPolarHBondContact O-CB 3.37Å; I1958-T1962 PolarHBondContact O-N 3.14Å; I1958-T1962 PolarHBondContact O-OG1 3.01Å |
| 1959 | T | 40.5 | Very low | 36.7 | Very low | 39.4 Ų | 39.4 | 55.1 Ų | 55.1 | 24% | 0.242 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.7 | -49.6 | 177.8 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | L1930 G1955 I1956 L1957 T1961 T1962 I1963 T1979 M1980 L2074 | L1930-T1959 VanDerWaalsContact CD2-OG1 3.25Å; L1930-T1959 WeakPolarHBondContact CD2-OG1 3.32Å; G1955-T1959 WeakPolarHBondContact O-CB 3.32Å; G1955-T1959 PolarHBondContact O-N 3.24Å; G1955-T1959 PolarHBondContact O-OG1 3.05Å; I1956-T1959 PolarHBondContact O-N 2.98Å; L1957-T1959 VanDerWaalsContact C-N 3.34Å; T1959-T1961 PolarHBondContact O-N 2.95Å; T1959-T1962 WeakPolarHBondContact O-CB 3.48Å; T1959-T1962 PolarHBondContact O-N 3.27Å; T1959-T1962 VanDerWaalsContact O-N 3.17Å; T1959-I1963 HydrophobicContact CG2-CD1 3.83Å; T1959-I1963 HydrophobicContact CG2-CG1 4.44Å; T1959-I1963 VanDerWaalsContact O-CB 3.29Å; T1959-I1963 WeakPolarHBondContact O-CB 3.44Å; T1959-I1963 WeakPolarHBondContact O-CD1 3.33Å; T1959-I1963 VanDerWaalsContact O-CG1 3.27Å; T1959-I1963 WeakPolarHBondContact O-CG1 3.3Å; T1959-I1963 PolarHBondContact O-N 3.23Å; T1959-T1979 HydrophobicContact CG2-CG2 4.18Å; T1959-M1980 HydrophobicContact CG2-CE 3.89Å; T1959-M1980 HydrophobicContact CG2-CG 4.13Å; T1959-M1980 HydrophobicContact CG2-SD 3.93Å; T1959-L2074 HydrophobicContact CG2-CD2 3.75Å |
| 1960 | L | 41.4 | Very low | 36.8 | Very low | 25 Ų | 25 | 56.3 Ų | 56.3 | 13% | 0.131 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 175.7 | -72 | 172.3 | 0 | 0 | 0 | 111.3 | I1956 L1957 T1962 I1963 F1964 M1980 F1983 L2047 L2050 I2077 F2081 | I1956-L1960 HydrophobicContact CG2-CD1 3.71Å; I1956-L1960 HydrophobicContact CG2-CG 4.28Å; I1956-L1960 VanDerWaalsContact O-CB 3.27Å; I1956-L1960 WeakPolarHBondContact O-CB 3.41Å; I1956-L1960 VanDerWaalsContact O-CG 3.26Å; I1956-L1960 WeakPolarHBondContact O-CG 3.4Å; I1956-L1960 PolarHBondContact O-N 3.15Å; L1957-L1960 PolarHBondContact O-N 2.72Å; L1960-T1962 VanDerWaalsContact C-N 3.29Å; L1960-T1962 PolarHBondContact O-N 3.22Å; L1960-I1963 CarbonylContact O-C 3.22Å; L1960-I1963 WeakPolarHBondContact O-CA 3.33Å; L1960-I1963 WeakPolarHBondContact O-CB 3.38Å; L1960-I1963 PolarHBondContact O-N 3.34Å; L1960-I1963 VanDerWaalsContact O-N 3.12Å; L1960-F1964 HydrophobicContact CB-CD2 4.3Å; L1960-F1964 HydrophobicContact CB-CE2 4.17Å; L1960-F1964 HydrophobicContact CD2-CE2 4.19Å; L1960-F1964 VanDerWaalsContact O-CB 3.31Å; L1960-F1964 WeakPolarHBondContact O-CB 3.47Å; L1960-F1964 WeakPolarHBondContact O-CD2 3.44Å; L1960-F1964 WeakPolarHBondContact O-CG 3.29Å; L1960-F1964 PolarHBondContact O-N 3.09Å; L1960-M1980 HydrophobicContact CB-CE 3.75Å; L1960-M1980 VanDerWaalsContact CB-CE 3.49Å; L1960-M1980 HydrophobicContact CB-SD 3.63Å; L1960-M1980 VanDerWaalsContact CB-SD 3.52Å; L1960-M1980 HydrophobicContact CD1-CE 3.99Å; L1960-M1980 HydrophobicContact CD1-SD 4.1Å; L1960-M1980 HydrophobicContact CD2-CE 4.48Å; L1960-M1980 HydrophobicContact CG-CE 4.26Å; L1960-M1980 HydrophobicContact CG-SD 4.47Å; L1960-F1983 HydrophobicContact CD1-CD1 4.26Å; L1960-F1983 HydrophobicContact CD1-CE1 4.09Å; L1960-L2047 HydrophobicContact CD1-CD2 3.93Å; L1960-L2047 HydrophobicContact CD2-CD2 4.41Å; L1960-L2050 HydrophobicContact CD1-CD2 4.19Å; L1960-I2077 HydrophobicContact CD1-CD1 4.47Å; L1960-I2077 HydrophobicContact CD1-CG1 4.46Å; L1960-I2077 HydrophobicContact CD2-CG2 4.2Å; L1960-F2081 HydrophobicContact CD2-CE2 4.04Å |
| 1961 | T | 39 | Very low | 36.7 | Very low | 26.2 Ų | 26.2 | 56.1 Ų | 56.1 | 16% | 0.161 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 176.5 | -60.3 | 0 | 0 | 0 | 0 | 110.9 | I1926 L1957 I1958 T1959 F1964 T1965 | I1926-T1961 HydrophobicContact CB-CG2 4.34Å; I1926-T1961 HydrophobicContact CD1-CG2 3.97Å; I1926-T1961 HydrophobicContact CG1-CG2 4.08Å; I1926-T1961 HydrophobicContact CG2-CG2 3.31Å; L1957-T1961 WeakPolarHBondContact O-CA 3.22Å; L1957-T1961 WeakPolarHBondContact O-CB 3.32Å; L1957-T1961 PolarHBondContact O-N 3.13Å; L1957-T1961 PolarHBondContact O-OG1 3.03Å; I1958-T1961 CarbonylContact O-C 3.36Å; I1958-T1961 PolarHBondContact O-N 3.15Å; T1959-T1961 PolarHBondContact O-N 2.95Å; T1961-F1964 PolarHBondContact O-N 3.16Å; T1961-T1965 HydrophobicContact CG2-CG2 4.04Å; T1961-T1965 WeakPolarHBondContact O-CA 3.34Å; T1961-T1965 VanDerWaalsContact O-CB 3.28Å; T1961-T1965 WeakPolarHBondContact O-CB 3.37Å; T1961-T1965 VanDerWaalsContact O-CG2 3.28Å; T1961-T1965 WeakPolarHBondContact O-CG2 3.36Å; T1961-T1965 PolarHBondContact O-N 3.13Å; T1961-T1965 PolarHBondContact O-OG1 3.24Å |
| 1962 | T | 37.6 | Very low | 36.9 | Very low | 29.6 Ų | 29.6 | 55.7 Ų | 55.7 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.1 | -41.3 | 176.2 | -55 | 0 | 0 | 0 | 0 | 111.4 | I1926 L1930 I1958 T1959 L1960 F1964 T1965 K1966 L1971 | I1926-T1962 HydrophobicContact CG2-CG2 4.09Å; I1926-T1962 VanDerWaalsContact CG2-OG1 3.24Å; I1926-T1962 WeakPolarHBondContact CG2-OG1 3.25Å; L1930-T1962 HydrophobicContact CD1-CG2 4.15Å; I1958-T1962 WeakPolarHBondContact O-CA 3.16Å; I1958-T1962 VanDerWaalsContact O-CB 3.27Å; I1958-T1962 WeakPolarHBondContact O-CB 3.37Å; I1958-T1962 PolarHBondContact O-N 3.14Å; I1958-T1962 PolarHBondContact O-OG1 3.01Å; T1959-T1962 WeakPolarHBondContact O-CB 3.48Å; T1959-T1962 PolarHBondContact O-N 3.27Å; T1959-T1962 VanDerWaalsContact O-N 3.17Å; L1960-T1962 VanDerWaalsContact C-N 3.29Å; L1960-T1962 PolarHBondContact O-N 3.22Å; T1962-F1964 VanDerWaalsContact C-N 3.26Å; T1962-F1964 PolarHBondContact O-N 3.03Å; T1962-T1965 WeakPolarHBondContact CA-OG1 3.42Å; T1962-T1965 PolarHBondContact O-N 3.46Å; T1962-T1965 PolarHBondContact O-OG1 3Å; T1962-K1966 HydrophobicContact CG2-CB 4.39Å; T1962-K1966 HydrophobicContact CG2-CD 4.08Å; T1962-K1966 HydrophobicContact CG2-CG 4.36Å; T1962-K1966 WeakPolarHBondContact O-CB 3.22Å; T1962-K1966 PolarHBondContact O-N 3.08Å; T1962-L1971 HydrophobicContact CG2-CD1 4.45Å |
| 1963 | I | 38.4 | Very low | 36.9 | Very low | 39.8 Ų | 39.8 | 56.2 Ų | 56.2 | 20% | 0.204 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 174.1 | -70.9 | 165.2 | 0 | 0 | 0 | 110.9 | T1959 L1960 G1967 F1968 L1971 I1976 I2077 | T1959-I1963 HydrophobicContact CG2-CD1 3.83Å; T1959-I1963 HydrophobicContact CG2-CG1 4.44Å; T1959-I1963 VanDerWaalsContact O-CB 3.29Å; T1959-I1963 WeakPolarHBondContact O-CB 3.44Å; T1959-I1963 WeakPolarHBondContact O-CD1 3.33Å; T1959-I1963 VanDerWaalsContact O-CG1 3.27Å; T1959-I1963 WeakPolarHBondContact O-CG1 3.3Å; T1959-I1963 PolarHBondContact O-N 3.23Å; L1960-I1963 CarbonylContact O-C 3.22Å; L1960-I1963 WeakPolarHBondContact O-CA 3.33Å; L1960-I1963 WeakPolarHBondContact O-CB 3.38Å; L1960-I1963 PolarHBondContact O-N 3.34Å; L1960-I1963 VanDerWaalsContact O-N 3.12Å; I1963-G1967 VanDerWaalsContact O-CA 3.24Å; I1963-G1967 WeakPolarHBondContact O-CA 3.4Å; I1963-G1967 PolarHBondContact O-N 3.14Å; I1963-G1967 VanDerWaalsContact O-N 3.14Å; I1963-F1968 HydrophobicContact CG2-CE1 4.27Å; I1963-F1968 HydrophobicContact CG2-CE2 4.31Å; I1963-F1968 HydrophobicContact CG2-CZ 4.41Å; I1963-L1971 HydrophobicContact CB-CD1 4.49Å; I1963-L1971 HydrophobicContact CG1-CD1 4Å; I1963-I1976 HydrophobicContact CD1-CB 4.34Å; I1963-I1976 HydrophobicContact CD1-CD1 3.93Å; I1963-I1976 HydrophobicContact CD1-CG1 4.02Å; I1963-I1976 HydrophobicContact CD1-CG2 3.74Å; I1963-I1976 HydrophobicContact CG1-CD1 4.01Å; I1963-I1976 HydrophobicContact CG1-CG1 4.07Å; I1963-I1976 HydrophobicContact CG2-CD1 4.14Å; I1963-I2077 HydrophobicContact CD1-CG2 4.49Å |
| 1964 | F | 36.8 | Very low | 36.9 | Very low | 36.2 Ų | 36.2 | 62.5 Ų | 62.5 | 16% | 0.159 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -77.7 | -33.8 | -178.7 | -74 | -59 | 0 | 0 | 0 | 113.6 | Y1922 L1960 T1961 T1962 K1966 G1967 F1968 L1971 I1976 M1980 F2043 L2047 L2080 F2081 N2084 | Y1922-F1964 HydrophobicContact CE1-CB 4.42Å; L1960-F1964 HydrophobicContact CB-CD2 4.3Å; L1960-F1964 HydrophobicContact CB-CE2 4.17Å; L1960-F1964 HydrophobicContact CD2-CE2 4.19Å; L1960-F1964 VanDerWaalsContact O-CB 3.31Å; L1960-F1964 WeakPolarHBondContact O-CB 3.47Å; L1960-F1964 WeakPolarHBondContact O-CD2 3.44Å; L1960-F1964 WeakPolarHBondContact O-CG 3.29Å; L1960-F1964 PolarHBondContact O-N 3.09Å; T1961-F1964 PolarHBondContact O-N 3.16Å; T1962-F1964 VanDerWaalsContact C-N 3.26Å; T1962-F1964 PolarHBondContact O-N 3.03Å; F1964-K1966 VanDerWaalsContact C-N 3.34Å; F1964-G1967 PolarHBondContact O-N 3.01Å; F1964-F1968 AromaticContact CD1-CD2 3.89Å; F1964-F1968 HydrophobicContact CD1-CD2 3.89Å; F1964-F1968 HydrophobicContact CD1-CE2 4.27Å; F1964-F1968 HydrophobicContact CD1-CG 4.34Å; F1964-F1968 HydrophobicContact CE1-CD2 4.31Å; F1964-F1968 AromaticContact CE1-CE2 3.97Å; F1964-F1968 HydrophobicContact CE1-CE2 4.25Å; F1964-F1968 AromaticContact CE1-CZ 3.95Å; F1964-F1968 HydrophobicContact CE1-CZ 3.95Å; F1964-F1968 CarbonylContact O-C 3.53Å; F1964-F1968 WeakPolarHBondContact O-CB 3.45Å; F1964-F1968 PolarHBondContact O-N 2.97Å; F1964-L1971 HydrophobicContact CD1-CD1 3.88Å; F1964-L1971 HydrophobicContact CE1-CD1 3.99Å; F1964-I1976 HydrophobicContact CB-CD1 3.84Å; F1964-I1976 HydrophobicContact CB-CG1 4.06Å; F1964-I1976 HydrophobicContact CB-CG2 3.86Å; F1964-I1976 HydrophobicContact CD2-CG2 4.33Å; F1964-I1976 HydrophobicContact CG-CG1 4.45Å; F1964-I1976 HydrophobicContact CG-CG2 4.39Å; F1964-M1980 HydrophobicContact CD2-CE 4.14Å; F1964-M1980 HydrophobicContact CE2-CE 3.96Å; F1964-F2043 HydrophobicContact CE1-CD1 4.25Å; F1964-F2043 HydrophobicContact CE1-CD2 4.13Å; F1964-F2043 AromaticContact CE1-CE1 3.44Å; F1964-F2043 HydrophobicContact CE1-CE1 3.44Å; F1964-F2043 VanDerWaalsContact CE1-CE1 3.44Å; F1964-F2043 HydrophobicContact CE1-CE2 4.43Å; F1964-F2043 HydrophobicContact CE1-CZ 4.12Å; F1964-F2043 HydrophobicContact CZ-CD1 4.28Å; F1964-F2043 AromaticContact CZ-CE1 3.58Å; F1964-F2043 HydrophobicContact CZ-CE1 3.58Å; F1964-L2047 HydrophobicContact CZ-CD1 4.29Å; F1964-L2080 HydrophobicContact CB-CD2 3.58Å; F1964-L2080 HydrophobicContact CD1-CD2 4.21Å; F1964-L2080 HydrophobicContact CD2-CB 4.13Å; F1964-L2080 HydrophobicContact CD2-CD1 4.17Å; F1964-L2080 HydrophobicContact CD2-CD2 3.86Å; F1964-L2080 HydrophobicContact CD2-CG 4.42Å; F1964-L2080 HydrophobicContact CE2-CD1 4.45Å; F1964-L2080 HydrophobicContact CE2-CD2 4.18Å; F1964-L2080 HydrophobicContact CG-CD2 3.93Å; F1964-F2081 HydrophobicContact CE1-CE1 4.26Å; F1964-F2081 AromaticContact CE1-CZ 3.98Å; F1964-F2081 HydrophobicContact CE1-CZ 3.98Å; F1964-F2081 HydrophobicContact CE2-CZ 4.42Å; F1964-F2081 HydrophobicContact CZ-CE1 4.42Å; F1964-F2081 AromaticContact CZ-CZ 3.73Å; F1964-F2081 HydrophobicContact CZ-CZ 3.73Å; F1964-N2084 WeakPolarHBondContact CB-ND2 3.41Å; F1964-N2084 PolarHBondContact O-ND2 3.16Å |
| 1965 | T | 35.4 | Very low | 37.1 | Very low | 52 Ų | 52 | 63.8 Ų | 63.8 | 32% | 0.319 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -82.3 | -41.8 | 178.2 | 51.1 | 0 | 0 | 0 | 0 | 113.3 | Y1922 I1926 L1929 T1961 T1962 G1967 I1976 | Y1922-T1965 HydrophobicContact CD1-CG2 4.4Å; Y1922-T1965 HydrophobicContact CE1-CG2 4.48Å; I1926-T1965 HydrophobicContact CB-CG2 3.5Å; I1926-T1965 HydrophobicContact CD1-CG2 3.49Å; I1926-T1965 VanDerWaalsContact CD1-CG2 3.49Å; I1926-T1965 HydrophobicContact CG1-CG2 4.09Å; I1926-T1965 HydrophobicContact CG2-CG2 3.39Å; L1929-T1965 HydrophobicContact CD2-CG2 3.97Å; T1961-T1965 HydrophobicContact CG2-CG2 4.04Å; T1961-T1965 WeakPolarHBondContact O-CA 3.34Å; T1961-T1965 VanDerWaalsContact O-CB 3.28Å; T1961-T1965 WeakPolarHBondContact O-CB 3.37Å; T1961-T1965 VanDerWaalsContact O-CG2 3.28Å; T1961-T1965 WeakPolarHBondContact O-CG2 3.36Å; T1961-T1965 PolarHBondContact O-N 3.13Å; T1961-T1965 PolarHBondContact O-OG1 3.24Å; T1962-T1965 WeakPolarHBondContact CA-OG1 3.42Å; T1962-T1965 PolarHBondContact O-N 3.46Å; T1962-T1965 PolarHBondContact O-OG1 3Å; T1965-G1967 VanDerWaalsContact C-N 3.3Å; T1965-G1967 PolarHBondContact O-N 3.35Å; T1965-I1976 HydrophobicContact CG2-CD1 4.31Å |
| 1966 | K | 34.7 | Very low | 37.3 | Very low | 111.6 Ų | 111.6 | 64.3 Ų | 64.3 | 49% | 0.485 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -78.8 | -19.3 | 177.3 | -76 | -167.6 | 176.2 | -175 | 0 | 112.3 | E1923 T1962 F1964 F1968 | E1923-K1966 WeakPolarHBondContact OE1-CE 3.33Å; E1923-K1966 IonicContact OE1-NZ 3.45Å; E1923-K1966 PolarHBondContact OE1-NZ 3.44Å; T1962-K1966 HydrophobicContact CG2-CB 4.39Å; T1962-K1966 HydrophobicContact CG2-CD 4.08Å; T1962-K1966 HydrophobicContact CG2-CG 4.36Å; T1962-K1966 WeakPolarHBondContact O-CB 3.22Å; T1962-K1966 PolarHBondContact O-N 3.08Å; F1964-K1966 VanDerWaalsContact C-N 3.34Å; K1966-F1968 VanDerWaalsContact C-CE2 3.41Å; K1966-F1968 HydrophobicContact CB-CD2 3.67Å; K1966-F1968 HydrophobicContact CB-CE2 3.31Å; K1966-F1968 HydrophobicContact CB-CZ 4.19Å; K1966-F1968 HydrophobicContact CD-CD2 4.39Å; K1966-F1968 HydrophobicContact CD-CE2 3.88Å; K1966-F1968 HydrophobicContact CD-CZ 4.3Å; K1966-F1968 HydrophobicContact CG-CD2 4.22Å; K1966-F1968 HydrophobicContact CG-CE2 3.89Å; K1966-F1968 HydrophobicContact CG-CZ 4.25Å; K1966-F1968 WeakPolarHBondContact O-CD2 3.29Å; K1966-F1968 WeakPolarHBondContact O-CE2 3.24Å; K1966-F1968 PolarHBondContact O-N 3.1Å |
| 1967 | G | 30.9 | Very low | 37.2 | Very low | 39 Ų | 39 | 64.3 Ų | 64.3 | 40% | 0.402 | 33% | 0.332 | S | S | . | . | trans | 25.7 | 17.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | I1963 F1964 T1965 R1969 | I1963-G1967 VanDerWaalsContact O-CA 3.24Å; I1963-G1967 WeakPolarHBondContact O-CA 3.4Å; I1963-G1967 PolarHBondContact O-N 3.14Å; I1963-G1967 VanDerWaalsContact O-N 3.14Å; F1964-G1967 PolarHBondContact O-N 3.01Å; T1965-G1967 VanDerWaalsContact C-N 3.3Å; T1965-G1967 PolarHBondContact O-N 3.35Å; G1967-R1969 VanDerWaalsContact C-N 3.27Å; G1967-R1969 PolarHBondContact O-N 3.37Å | ||
| 1968 | F | 32.3 | Very low | 37.3 | Very low | 76.4 Ų | 76.4 | 65.9 Ų | 65.9 | 34% | 0.335 | 34% | 0.34 | S | S | . | . | trans | -94.6 | 75 | -171.6 | -74.4 | -80.6 | 0 | 0 | 0 | 113.9 | I1963 F1964 K1966 S1970 L1971 I1976 F2043 F2081 F2085 | I1963-F1968 HydrophobicContact CG2-CE1 4.27Å; I1963-F1968 HydrophobicContact CG2-CE2 4.31Å; I1963-F1968 HydrophobicContact CG2-CZ 4.41Å; F1964-F1968 AromaticContact CD1-CD2 3.89Å; F1964-F1968 HydrophobicContact CD1-CD2 3.89Å; F1964-F1968 HydrophobicContact CD1-CE2 4.27Å; F1964-F1968 HydrophobicContact CD1-CG 4.34Å; F1964-F1968 HydrophobicContact CE1-CD2 4.31Å; F1964-F1968 AromaticContact CE1-CE2 3.97Å; F1964-F1968 HydrophobicContact CE1-CE2 4.25Å; F1964-F1968 AromaticContact CE1-CZ 3.95Å; F1964-F1968 HydrophobicContact CE1-CZ 3.95Å; F1964-F1968 CarbonylContact O-C 3.53Å; F1964-F1968 WeakPolarHBondContact O-CB 3.45Å; F1964-F1968 PolarHBondContact O-N 2.97Å; K1966-F1968 VanDerWaalsContact C-CE2 3.41Å; K1966-F1968 HydrophobicContact CB-CD2 3.67Å; K1966-F1968 HydrophobicContact CB-CE2 3.31Å; K1966-F1968 HydrophobicContact CB-CZ 4.19Å; K1966-F1968 HydrophobicContact CD-CD2 4.39Å; K1966-F1968 HydrophobicContact CD-CE2 3.88Å; K1966-F1968 HydrophobicContact CD-CZ 4.3Å; K1966-F1968 HydrophobicContact CG-CD2 4.22Å; K1966-F1968 HydrophobicContact CG-CE2 3.89Å; K1966-F1968 HydrophobicContact CG-CZ 4.25Å; K1966-F1968 WeakPolarHBondContact O-CD2 3.29Å; K1966-F1968 WeakPolarHBondContact O-CE2 3.24Å; K1966-F1968 PolarHBondContact O-N 3.1Å; F1968-S1970 PolarHBondContact O-N 3.04Å; F1968-L1971 HydrophobicContact CB-CB 4.34Å; F1968-L1971 HydrophobicContact CB-CD1 3.92Å; F1968-L1971 HydrophobicContact CB-CG 4.34Å; F1968-L1971 HydrophobicContact CD1-CD1 4.44Å; F1968-L1971 HydrophobicContact CD2-CD1 4.12Å; F1968-L1971 HydrophobicContact CG-CD1 4.07Å; F1968-L1971 HydrophobicContact CG-CG 4.48Å; F1968-L1971 PolarHBondContact O-N 3.19Å; F1968-I1976 HydrophobicContact CE1-CD1 4.47Å; F1968-F2043 HydrophobicContact CE1-CZ 4.29Å; F1968-F2043 HydrophobicContact CE2-CE2 4.35Å; F1968-F2043 HydrophobicContact CE2-CZ 4.01Å; F1968-F2043 AromaticContact CZ-CE2 3.92Å; F1968-F2043 HydrophobicContact CZ-CE2 4.07Å; F1968-F2043 AromaticContact CZ-CZ 3.83Å; F1968-F2043 HydrophobicContact CZ-CZ 4.03Å; F1968-F2081 HydrophobicContact CE2-CD1 4.4Å; F1968-F2081 AromaticContact CE2-CE1 3.9Å; F1968-F2081 HydrophobicContact CE2-CE1 3.9Å; F1968-F2081 HydrophobicContact CZ-CD1 4.32Å; F1968-F2081 HydrophobicContact CZ-CE1 4.07Å; F1968-F2085 HydrophobicContact CZ-CE2 4.27Å | ||
| 1969 | R | 31.9 | Very low | 37.4 | Very low | 225 Ų | 225 | 64.9 Ų | 64.9 | 85% | 0.849 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -2.5 | 175.1 | -77.9 | -175.3 | 172.4 | -177.9 | -1.7 | 115.4 | G1967 | G1967-R1969 VanDerWaalsContact C-N 3.27Å; G1967-R1969 PolarHBondContact O-N 3.37Å |
| 1970 | S | 32.4 | Very low | 37.5 | Very low | 92.6 Ų | 92.6 | 64.4 Ų | 64.4 | 65% | 0.648 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.2 | -4.9 | -172.6 | 58.6 | 0 | 0 | 0 | 0 | 116.1 | F1968 K2039 | F1968-S1970 PolarHBondContact O-N 3.04Å; S1970-K2039 WeakPolarHBondContact O-CA 3.27Å; S1970-K2039 WeakPolarHBondContact O-CG 3.15Å |
| 1971 | L | 32.8 | Very low | 37.6 | Very low | 59 Ų | 59 | 64.3 Ų | 64.3 | 31% | 0.309 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -95 | 137.1 | 175.2 | -84 | 163.2 | 0 | 0 | 0 | 111.3 | T1962 I1963 F1964 F1968 P1973 E1975 I1976 K2040 M2041 F2043 | T1962-L1971 HydrophobicContact CG2-CD1 4.45Å; I1963-L1971 HydrophobicContact CB-CD1 4.49Å; I1963-L1971 HydrophobicContact CG1-CD1 4Å; F1964-L1971 HydrophobicContact CD1-CD1 3.88Å; F1964-L1971 HydrophobicContact CE1-CD1 3.99Å; F1968-L1971 HydrophobicContact CB-CB 4.34Å; F1968-L1971 HydrophobicContact CB-CD1 3.92Å; F1968-L1971 HydrophobicContact CB-CG 4.34Å; F1968-L1971 HydrophobicContact CD1-CD1 4.44Å; F1968-L1971 HydrophobicContact CD2-CD1 4.12Å; F1968-L1971 HydrophobicContact CG-CD1 4.07Å; F1968-L1971 HydrophobicContact CG-CG 4.48Å; F1968-L1971 PolarHBondContact O-N 3.19Å; L1971-P1973 VanDerWaalsContact O-CD 3.28Å; L1971-P1973 WeakPolarHBondContact O-CD 3.39Å; L1971-E1975 HydrophobicContact CD2-CB 4.45Å; L1971-I1976 HydrophobicContact CB-CD1 3.95Å; L1971-I1976 HydrophobicContact CB-CG1 4.08Å; L1971-K2040 CarbonylContact O-C 3.59Å; L1971-K2040 WeakPolarHBondContact O-CA 3.43Å; L1971-K2040 PolarHBondContact O-N 3.42Å; L1971-M2041 PolarHBondContact O-N 3.46Å; L1971-F2043 HydrophobicContact CD1-CE2 4.28Å |
| 1972 | N | 38 | Very low | 37.9 | Very low | 69.4 Ų | 69.4 | 66.5 Ų | 66.5 | 37% | 0.371 | 34% | 0.344 | S | S | . | . | trans | -74.2 | 128.1 | 176.1 | -173.8 | -7.2 | 0 | 0 | 0 | 109.9 | Y1974 E1975 I1976 Y2038 K2039 K2040 | N1972-Y1974 WeakPolarHBondContact ND2-CB 3.4Å; N1972-Y1974 PolarHBondContact O-N 3.12Å; N1972-Y1974 VanDerWaalsContact OD1-CB 3.24Å; N1972-Y1974 WeakPolarHBondContact OD1-CB 3.35Å; N1972-Y1974 PolarHBondContact OD1-N 3.14Å; N1972-Y1974 VanDerWaalsContact OD1-N 3.13Å; N1972-E1975 HydrophobicContact CB-CB 4.19Å; N1972-E1975 HydrophobicContact CB-CG 3.98Å; N1972-E1975 VanDerWaalsContact CB-OE2 3.31Å; N1972-E1975 WeakPolarHBondContact CB-OE2 3.26Å; N1972-E1975 PolarHBondContact N-OE2 3.12Å; N1972-E1975 WeakPolarHBondContact O-CA 3.34Å; N1972-E1975 WeakPolarHBondContact O-CB 3.3Å; N1972-E1975 PolarHBondContact O-N 3.06Å; N1972-I1976 PolarHBondContact O-N 3.2Å; N1972-Y2038 VanDerWaalsContact CB-C 3.47Å; N1972-Y2038 VanDerWaalsContact CB-O 3.23Å; N1972-Y2038 WeakPolarHBondContact CB-O 3.21Å; N1972-Y2038 PolarHBondContact N-O 3.09Å; N1972-Y2038 PolarHBondContact OD1-OH 3.32Å; N1972-K2039 VanDerWaalsContact CA-C 3.46Å; N1972-K2039 WeakPolarHBondContact CB-O 3.46Å; N1972-K2039 PolarHBondContact ND2-O 3.49Å; N1972-K2040 PolarHBondContact OD1-O 3.47Å | ||
| 1973 | P | 37.8 | Very low | 38.2 | Very low | 52.6 Ų | 52.6 | 67.1 Ų | 67.1 | 34% | 0.342 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.7 | -18.5 | 173.9 | -8.7 | 12.3 | 0 | 0 | 0 | 113.9 | L1929 L1971 I1976 A1977 Y2038 K2040 M2041 R2042 | L1929-P1973 HydrophobicContact CD1-CB 3.85Å; L1929-P1973 HydrophobicContact CD2-CB 4.12Å; L1971-P1973 VanDerWaalsContact O-CD 3.28Å; L1971-P1973 WeakPolarHBondContact O-CD 3.39Å; P1973-I1976 HydrophobicContact CB-CB 3.94Å; P1973-I1976 HydrophobicContact CB-CD1 4.18Å; P1973-I1976 HydrophobicContact CB-CG1 4.19Å; P1973-I1976 WeakPolarHBondContact O-CB 3.48Å; P1973-I1976 PolarHBondContact O-N 3.27Å; P1973-A1977 VanDerWaalsContact O-CB 3.27Å; P1973-A1977 WeakPolarHBondContact O-CB 3.27Å; P1973-A1977 PolarHBondContact O-N 2.94Å; P1973-Y2038 HydrophobicContact CB-CE1 4.37Å; P1973-Y2038 HydrophobicContact CG-CD1 4.25Å; P1973-Y2038 HydrophobicContact CG-CE1 3.53Å; P1973-K2040 WeakPolarHBondContact CD-O 3.1Å; P1973-M2041 VanDerWaalsContact CD-CA 3.44Å; P1973-M2041 WeakPolarHBondContact CD-O 3.44Å; P1973-M2041 VanDerWaalsContact CG-CA 3.42Å; P1973-M2041 WeakPolarHBondContact CG-O 3.29Å; P1973-R2042 WeakPolarHBondContact CB-O 3.36Å; P1973-R2042 WeakPolarHBondContact CG-O 3.31Å |
| 1974 | Y | 38.8 | Very low | 38.4 | Very low | 157.4 Ų | 157.4 | 66.4 Ų | 66.4 | 62% | 0.617 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -68 | -36 | 167.6 | -154.3 | -96.9 | 0 | 0 | 0 | 112.6 | N1972 A1977 I1978 Y2038 | N1972-Y1974 WeakPolarHBondContact ND2-CB 3.4Å; N1972-Y1974 PolarHBondContact O-N 3.12Å; N1972-Y1974 VanDerWaalsContact OD1-CB 3.24Å; N1972-Y1974 WeakPolarHBondContact OD1-CB 3.35Å; N1972-Y1974 PolarHBondContact OD1-N 3.14Å; N1972-Y1974 VanDerWaalsContact OD1-N 3.13Å; Y1974-A1977 CarbonylContact O-C 3.6Å; Y1974-A1977 PolarHBondContact O-N 2.96Å; Y1974-I1978 HydrophobicContact CD1-CD1 3.69Å; Y1974-I1978 VanDerWaalsContact CD1-CD1 3.46Å; Y1974-I1978 HydrophobicContact CD1-CG1 4.27Å; Y1974-I1978 HydrophobicContact CE1-CD1 3.75Å; Y1974-I1978 HydrophobicContact CE1-CG1 4.29Å; Y1974-I1978 HydrophobicContact CG-CD1 4.38Å; Y1974-I1978 WeakPolarHBondContact O-CB 3.28Å; Y1974-I1978 WeakPolarHBondContact O-CD1 3.26Å; Y1974-I1978 VanDerWaalsContact O-CG1 3.29Å; Y1974-I1978 WeakPolarHBondContact O-CG1 3.35Å; Y1974-I1978 PolarHBondContact O-N 3.18Å; Y1974-I1978 VanDerWaalsContact O-N 3.12Å; Y1974-Y2038 PolarHBondContact N-OH 3.16Å |
| 1975 | E | 40.6 | Very low | 38.8 | Very low | 63.8 Ų | 63.8 | 69.8 Ų | 69.8 | 30% | 0.298 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.8 | -39.3 | 172.7 | -75 | 177.7 | 137.4 | 0 | 0 | 111.6 | R1934 L1971 N1972 A1977 I1978 T1979 L2035 Y2038 | R1934-E1975 IonicContact CZ-OE1 3.97Å; R1934-E1975 IonicContact NH1-OE1 2.65Å; R1934-E1975 PolarHBondContact NH1-OE1 2.71Å; R1934-E1975 IonicContact NH2-OE1 2.66Å; L1971-E1975 HydrophobicContact CD2-CB 4.45Å; N1972-E1975 HydrophobicContact CB-CB 4.19Å; N1972-E1975 HydrophobicContact CB-CG 3.98Å; N1972-E1975 VanDerWaalsContact CB-OE2 3.31Å; N1972-E1975 WeakPolarHBondContact CB-OE2 3.26Å; N1972-E1975 PolarHBondContact N-OE2 3.12Å; N1972-E1975 WeakPolarHBondContact O-CA 3.34Å; N1972-E1975 WeakPolarHBondContact O-CB 3.3Å; N1972-E1975 PolarHBondContact O-N 3.06Å; E1975-A1977 VanDerWaalsContact C-N 3.29Å; E1975-A1977 PolarHBondContact O-N 2.95Å; E1975-I1978 PolarHBondContact O-N 3.15Å; E1975-T1979 VanDerWaalsContact O-CB 3.3Å; E1975-T1979 WeakPolarHBondContact O-CB 3.41Å; E1975-T1979 PolarHBondContact O-N 2.95Å; E1975-T1979 PolarHBondContact O-OG1 3.11Å; E1975-T1979 VanDerWaalsContact O-OG1 3.09Å; E1975-L2035 HydrophobicContact CB-CD2 4.46Å; E1975-Y2038 WeakPolarHBondContact OE1-CD2 3.43Å |
| 1976 | I | 40.6 | Very low | 39.3 | Very low | 26.8 Ų | 26.8 | 69.2 Ų | 69.2 | 14% | 0.137 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 173.2 | -60.7 | 171.3 | 0 | 0 | 0 | 109.8 | I1963 F1964 T1965 F1968 L1971 N1972 P1973 I1978 T1979 M1980 L2035 | I1963-I1976 HydrophobicContact CD1-CB 4.34Å; I1963-I1976 HydrophobicContact CD1-CD1 3.93Å; I1963-I1976 HydrophobicContact CD1-CG1 4.02Å; I1963-I1976 HydrophobicContact CD1-CG2 3.74Å; I1963-I1976 HydrophobicContact CG1-CD1 4.01Å; I1963-I1976 HydrophobicContact CG1-CG1 4.07Å; I1963-I1976 HydrophobicContact CG2-CD1 4.14Å; F1964-I1976 HydrophobicContact CB-CD1 3.84Å; F1964-I1976 HydrophobicContact CB-CG1 4.06Å; F1964-I1976 HydrophobicContact CB-CG2 3.86Å; F1964-I1976 HydrophobicContact CD2-CG2 4.33Å; F1964-I1976 HydrophobicContact CG-CG1 4.45Å; F1964-I1976 HydrophobicContact CG-CG2 4.39Å; T1965-I1976 HydrophobicContact CG2-CD1 4.31Å; F1968-I1976 HydrophobicContact CE1-CD1 4.47Å; L1971-I1976 HydrophobicContact CB-CD1 3.95Å; L1971-I1976 HydrophobicContact CB-CG1 4.08Å; N1972-I1976 PolarHBondContact O-N 3.2Å; P1973-I1976 HydrophobicContact CB-CB 3.94Å; P1973-I1976 HydrophobicContact CB-CD1 4.18Å; P1973-I1976 HydrophobicContact CB-CG1 4.19Å; P1973-I1976 WeakPolarHBondContact O-CB 3.48Å; P1973-I1976 PolarHBondContact O-N 3.27Å; I1976-I1978 VanDerWaalsContact C-N 3.34Å; I1976-I1978 PolarHBondContact O-N 3.02Å; I1976-T1979 PolarHBondContact O-N 3.25Å; I1976-T1979 VanDerWaalsContact O-N 3.12Å; I1976-M1980 HydrophobicContact CG2-CG 4.26Å; I1976-M1980 HydrophobicContact CG2-SD 4.07Å; I1976-M1980 VanDerWaalsContact O-CB 3.28Å; I1976-M1980 WeakPolarHBondContact O-CB 3.33Å; I1976-M1980 VanDerWaalsContact O-CG 3.28Å; I1976-M1980 WeakPolarHBondContact O-CG 3.39Å; I1976-M1980 PolarHBondContact O-N 3.01Å; I1976-L2035 HydrophobicContact CG2-CD1 3.96Å; I1976-L2035 HydrophobicContact CG2-CD2 4.44Å |
| 1977 | A | 40.5 | Very low | 39.6 | Very low | 37.2 Ų | 37.2 | 65.2 Ų | 65.2 | 31% | 0.307 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | P1973 Y1974 E1975 T1979 M1980 G1981 L2032 L2035 | P1973-A1977 VanDerWaalsContact O-CB 3.27Å; P1973-A1977 WeakPolarHBondContact O-CB 3.27Å; P1973-A1977 PolarHBondContact O-N 2.94Å; Y1974-A1977 CarbonylContact O-C 3.6Å; Y1974-A1977 PolarHBondContact O-N 2.96Å; E1975-A1977 VanDerWaalsContact C-N 3.29Å; E1975-A1977 PolarHBondContact O-N 2.95Å; A1977-T1979 VanDerWaalsContact C-N 3.26Å; A1977-T1979 PolarHBondContact O-N 3.01Å; A1977-M1980 PolarHBondContact O-N 3.28Å; A1977-G1981 WeakPolarHBondContact O-CA 3.41Å; A1977-G1981 PolarHBondContact O-N 3.25Å; A1977-L2032 HydrophobicContact CB-CD1 4.01Å; A1977-L2032 WeakPolarHBondContact O-CD1 3.38Å; A1977-L2035 HydrophobicContact CB-CB 4.47Å |
| 1978 | I | 42.8 | Very low | 40.3 | Very low | 68.2 Ų | 68.2 | 66 Ų | 66 | 35% | 0.35 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 173.5 | -73.2 | 167.9 | 0 | 0 | 0 | 110.9 | Y1974 E1975 I1976 M1980 G1981 K1982 | Y1974-I1978 HydrophobicContact CD1-CD1 3.69Å; Y1974-I1978 VanDerWaalsContact CD1-CD1 3.46Å; Y1974-I1978 HydrophobicContact CD1-CG1 4.27Å; Y1974-I1978 HydrophobicContact CE1-CD1 3.75Å; Y1974-I1978 HydrophobicContact CE1-CG1 4.29Å; Y1974-I1978 HydrophobicContact CG-CD1 4.38Å; Y1974-I1978 WeakPolarHBondContact O-CB 3.28Å; Y1974-I1978 WeakPolarHBondContact O-CD1 3.26Å; Y1974-I1978 VanDerWaalsContact O-CG1 3.29Å; Y1974-I1978 WeakPolarHBondContact O-CG1 3.35Å; Y1974-I1978 PolarHBondContact O-N 3.18Å; Y1974-I1978 VanDerWaalsContact O-N 3.12Å; E1975-I1978 PolarHBondContact O-N 3.15Å; I1976-I1978 VanDerWaalsContact C-N 3.34Å; I1976-I1978 PolarHBondContact O-N 3.02Å; I1978-M1980 VanDerWaalsContact C-N 3.35Å; I1978-M1980 PolarHBondContact O-N 3.28Å; I1978-G1981 CarbonylContact O-C 3.47Å; I1978-G1981 PolarHBondContact O-N 3.16Å; I1978-K1982 HydrophobicContact CG2-CD 4.22Å; I1978-K1982 HydrophobicContact CG2-CG 4.29Å; I1978-K1982 VanDerWaalsContact O-CB 3.32Å; I1978-K1982 WeakPolarHBondContact O-CB 3.28Å; I1978-K1982 WeakPolarHBondContact O-CG 3.38Å; I1978-K1982 PolarHBondContact O-N 3.04Å |
| 1979 | T | 41.8 | Very low | 40.8 | Very low | 36 Ų | 36 | 66 Ų | 66 | 22% | 0.221 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.6 | -41.3 | 179.8 | -53.4 | 0 | 0 | 0 | 0 | 111.2 | T1959 E1975 I1976 A1977 K1982 F1983 M2041 I2044 L2047 | T1959-T1979 HydrophobicContact CG2-CG2 4.18Å; E1975-T1979 VanDerWaalsContact O-CB 3.3Å; E1975-T1979 WeakPolarHBondContact O-CB 3.41Å; E1975-T1979 PolarHBondContact O-N 2.95Å; E1975-T1979 PolarHBondContact O-OG1 3.11Å; E1975-T1979 VanDerWaalsContact O-OG1 3.09Å; I1976-T1979 PolarHBondContact O-N 3.25Å; I1976-T1979 VanDerWaalsContact O-N 3.12Å; A1977-T1979 VanDerWaalsContact C-N 3.26Å; A1977-T1979 PolarHBondContact O-N 3.01Å; T1979-K1982 PolarHBondContact O-N 3.23Å; T1979-F1983 VanDerWaalsContact O-CB 3.29Å; T1979-F1983 WeakPolarHBondContact O-CB 3.42Å; T1979-F1983 PolarHBondContact O-N 2.97Å; T1979-M2041 WeakPolarHBondContact OG1-CE 3.28Å; T1979-M2041 PolarHBondContact OG1-SD 3.23Å; T1979-M2041 VanDerWaalsContact OG1-SD 3.38Å; T1979-I2044 HydrophobicContact CG2-CD1 4.28Å; T1979-I2044 HydrophobicContact CG2-CG1 4.35Å; T1979-L2047 HydrophobicContact CG2-CD1 3.87Å; T1979-L2047 VanDerWaalsContact CG2-CD1 3.42Å |
| 1980 | M | 43.4 | Very low | 41.3 | Very low | 29 Ų | 29 | 56.6 Ų | 56.6 | 14% | 0.143 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64 | -43.4 | 171.8 | -75.1 | -106.2 | 119.8 | 0 | 0 | 111.6 | I1956 L1957 T1959 L1960 F1964 I1976 A1977 I1978 K1982 F1983 T1984 L2032 L2035 S2046 L2047 | I1956-M1980 HydrophobicContact CB-CE 4.24Å; I1956-M1980 HydrophobicContact CG1-CE 3.73Å; I1956-M1980 HydrophobicContact CG2-CE 4.42Å; L1957-M1980 HydrophobicContact CB-SD 4.45Å; L1957-M1980 HydrophobicContact CD2-CB 4Å; L1957-M1980 HydrophobicContact CD2-CG 4.34Å; L1957-M1980 HydrophobicContact CD2-SD 3.78Å; L1957-M1980 VanDerWaalsContact CD2-SD 3.56Å; T1959-M1980 HydrophobicContact CG2-CE 3.89Å; T1959-M1980 HydrophobicContact CG2-CG 4.13Å; T1959-M1980 HydrophobicContact CG2-SD 3.93Å; L1960-M1980 HydrophobicContact CB-CE 3.75Å; L1960-M1980 VanDerWaalsContact CB-CE 3.49Å; L1960-M1980 HydrophobicContact CB-SD 3.63Å; L1960-M1980 VanDerWaalsContact CB-SD 3.52Å; L1960-M1980 HydrophobicContact CD1-CE 3.99Å; L1960-M1980 HydrophobicContact CD1-SD 4.1Å; L1960-M1980 HydrophobicContact CD2-CE 4.48Å; L1960-M1980 HydrophobicContact CG-CE 4.26Å; L1960-M1980 HydrophobicContact CG-SD 4.47Å; F1964-M1980 HydrophobicContact CD2-CE 4.14Å; F1964-M1980 HydrophobicContact CE2-CE 3.96Å; I1976-M1980 HydrophobicContact CG2-CG 4.26Å; I1976-M1980 HydrophobicContact CG2-SD 4.07Å; I1976-M1980 VanDerWaalsContact O-CB 3.28Å; I1976-M1980 WeakPolarHBondContact O-CB 3.33Å; I1976-M1980 VanDerWaalsContact O-CG 3.28Å; I1976-M1980 WeakPolarHBondContact O-CG 3.39Å; I1976-M1980 PolarHBondContact O-N 3.01Å; A1977-M1980 PolarHBondContact O-N 3.28Å; I1978-M1980 VanDerWaalsContact C-N 3.35Å; I1978-M1980 PolarHBondContact O-N 3.28Å; M1980-K1982 VanDerWaalsContact C-N 3.35Å; M1980-K1982 PolarHBondContact O-N 3.33Å; M1980-F1983 CarbonylContact O-C 3.58Å; M1980-F1983 PolarHBondContact O-N 2.88Å; M1980-F1983 VanDerWaalsContact O-N 3.15Å; M1980-F1983 HydrophobicContact SD-CD1 4.48Å; M1980-T1984 WeakPolarHBondContact O-CB 3.46Å; M1980-T1984 PolarHBondContact O-N 3.19Å; M1980-T1984 PolarHBondContact O-OG1 3.08Å; M1980-L2032 HydrophobicContact CB-CD1 4.31Å; M1980-L2035 HydrophobicContact CG-CD1 4.28Å; M1980-S2046 VanDerWaalsContact CE-CB 3.47Å; M1980-S2046 WeakPolarHBondContact SD-CB 3.39Å; M1980-S2046 PolarHBondContact SD-OG 3.43Å; M1980-L2047 HydrophobicContact CE-CD2 3.99Å |
| 1981 | G | 42.7 | Very low | 41.6 | Very low | 23.2 Ų | 23.2 | 54.1 Ų | 54.1 | 24% | 0.239 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.7 | -47 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1977 I1978 F1983 T1984 E1985 | A1977-G1981 WeakPolarHBondContact O-CA 3.41Å; A1977-G1981 PolarHBondContact O-N 3.25Å; I1978-G1981 CarbonylContact O-C 3.47Å; I1978-G1981 PolarHBondContact O-N 3.16Å; G1981-F1983 VanDerWaalsContact C-N 3.31Å; G1981-F1983 PolarHBondContact O-N 3.29Å; G1981-T1984 CarbonylContact O-C 3.44Å; G1981-T1984 WeakPolarHBondContact O-CA 3.31Å; G1981-T1984 WeakPolarHBondContact O-CB 3.39Å; G1981-T1984 PolarHBondContact O-N 3.09Å; G1981-T1984 VanDerWaalsContact O-N 3.1Å; G1981-E1985 WeakPolarHBondContact O-CB 3.44Å; G1981-E1985 WeakPolarHBondContact O-CG 3.41Å; G1981-E1985 PolarHBondContact O-N 3.38Å; G1981-E1985 VanDerWaalsContact O-N 3.09Å |
| 1982 | K | 45.2 | Very low | 41.8 | Very low | 71.4 Ų | 71.4 | 55.4 Ų | 55.4 | 31% | 0.31 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.9 | -35.9 | 174.7 | -73.5 | -173.7 | 174.1 | -167.6 | 0 | 112.8 | V1937 N1938 I1978 T1979 M1980 T1984 E1985 F1986 L2035 Y2038 | V1937-K1982 HydrophobicContact CG1-CB 4.05Å; V1937-K1982 HydrophobicContact CG1-CD 4.45Å; N1938-K1982 PolarHBondContact OD1-NZ 3.32Å; I1978-K1982 HydrophobicContact CG2-CD 4.22Å; I1978-K1982 HydrophobicContact CG2-CG 4.29Å; I1978-K1982 VanDerWaalsContact O-CB 3.32Å; I1978-K1982 WeakPolarHBondContact O-CB 3.28Å; I1978-K1982 WeakPolarHBondContact O-CG 3.38Å; I1978-K1982 PolarHBondContact O-N 3.04Å; T1979-K1982 PolarHBondContact O-N 3.23Å; M1980-K1982 VanDerWaalsContact C-N 3.35Å; M1980-K1982 PolarHBondContact O-N 3.33Å; K1982-T1984 VanDerWaalsContact C-N 3.35Å; K1982-E1985 CarbonylContact O-C 3.56Å; K1982-E1985 PolarHBondContact O-N 2.91Å; K1982-F1986 VanDerWaalsContact O-CB 3.23Å; K1982-F1986 WeakPolarHBondContact O-CB 3.29Å; K1982-F1986 PolarHBondContact O-N 3.05Å; K1982-L2035 HydrophobicContact CD-CD2 4.24Å; K1982-Y2038 VanDerWaalsContact NZ-CZ 3.29Å; K1982-Y2038 PolarHBondContact NZ-OH 3Å |
| 1983 | F | 44.1 | Very low | 41.8 | Very low | 42.2 Ų | 42.2 | 53.6 Ų | 53.6 | 19% | 0.185 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.6 | -38.4 | 172.4 | -178.9 | -100.3 | 0 | 0 | 0 | 111.8 | I1956 L1957 L1960 T1979 M1980 G1981 E1985 F1986 Y1987 L2047 L2054 | I1956-F1983 HydrophobicContact CD1-CD2 3.44Å; I1956-F1983 VanDerWaalsContact CD1-CD2 3.44Å; I1956-F1983 HydrophobicContact CD1-CE2 3.46Å; I1956-F1983 VanDerWaalsContact CD1-CE2 3.46Å; I1956-F1983 HydrophobicContact CD1-CG 4.33Å; I1956-F1983 HydrophobicContact CD1-CZ 4.37Å; I1956-F1983 HydrophobicContact CG1-CD2 4.27Å; I1956-F1983 HydrophobicContact CG2-CE1 4.17Å; L1957-F1983 HydrophobicContact CD2-CD1 4.38Å; L1960-F1983 HydrophobicContact CD1-CD1 4.26Å; L1960-F1983 HydrophobicContact CD1-CE1 4.09Å; T1979-F1983 VanDerWaalsContact O-CB 3.29Å; T1979-F1983 WeakPolarHBondContact O-CB 3.42Å; T1979-F1983 PolarHBondContact O-N 2.97Å; M1980-F1983 CarbonylContact O-C 3.58Å; M1980-F1983 PolarHBondContact O-N 2.88Å; M1980-F1983 VanDerWaalsContact O-N 3.15Å; M1980-F1983 HydrophobicContact SD-CD1 4.48Å; G1981-F1983 VanDerWaalsContact C-N 3.31Å; G1981-F1983 PolarHBondContact O-N 3.29Å; F1983-E1985 VanDerWaalsContact C-N 3.34Å; F1983-F1986 HydrophobicContact CD2-CD1 4.25Å; F1983-F1986 HydrophobicContact CE2-CD1 4.22Å; F1983-F1986 HydrophobicContact CE2-CE1 4.41Å; F1983-F1986 PolarHBondContact O-N 3.16Å; F1983-Y1987 HydrophobicContact CZ-CD2 4.32Å; F1983-Y1987 WeakPolarHBondContact O-CB 3.24Å; F1983-Y1987 PolarHBondContact O-N 3.01Å; F1983-L2047 HydrophobicContact CD2-CB 4.24Å; F1983-L2047 HydrophobicContact CD2-CD2 4.26Å; F1983-L2047 HydrophobicContact CE2-CD2 4.09Å; F1983-L2047 VanDerWaalsContact CE2-O 3.26Å; F1983-L2047 WeakPolarHBondContact CE2-O 3.49Å; F1983-L2054 HydrophobicContact CZ-CD1 4.34Å |
| 1984 | T | 43.4 | Very low | 41.4 | Very low | 24.6 Ų | 24.6 | 58.8 Ų | 58.8 | 15% | 0.151 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 174.1 | -49.3 | 0 | 0 | 0 | 0 | 111 | M1859 T1953 L1957 M1980 G1981 K1982 F1986 Y1987 H1988 Y2025 | M1859-T1984 HydrophobicContact CE-CG2 3.96Å; T1953-T1984 HydrophobicContact CG2-CG2 3.89Å; L1957-T1984 HydrophobicContact CD1-CG2 4.17Å; L1957-T1984 VanDerWaalsContact CD1-OG1 3.28Å; L1957-T1984 WeakPolarHBondContact CD1-OG1 3.26Å; L1957-T1984 WeakPolarHBondContact CD2-OG1 3.38Å; M1980-T1984 WeakPolarHBondContact O-CB 3.46Å; M1980-T1984 PolarHBondContact O-N 3.19Å; M1980-T1984 PolarHBondContact O-OG1 3.08Å; G1981-T1984 CarbonylContact O-C 3.44Å; G1981-T1984 WeakPolarHBondContact O-CA 3.31Å; G1981-T1984 WeakPolarHBondContact O-CB 3.39Å; G1981-T1984 PolarHBondContact O-N 3.09Å; G1981-T1984 VanDerWaalsContact O-N 3.1Å; K1982-T1984 VanDerWaalsContact C-N 3.35Å; T1984-F1986 PolarHBondContact O-N 3.01Å; T1984-Y1987 PolarHBondContact O-N 2.9Å; T1984-H1988 VanDerWaalsContact O-CB 3.28Å; T1984-H1988 WeakPolarHBondContact O-CB 3.38Å; T1984-H1988 PolarHBondContact O-N 2.91Å; T1984-Y2025 HydrophobicContact CG2-CD2 3.78Å; T1984-Y2025 HydrophobicContact CG2-CE2 3.68Å |
| 1985 | E | 44.7 | Very low | 41 | Very low | 109.2 Ų | 109.2 | 53.7 Ų | 53.7 | 51% | 0.51 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 173.7 | -77.7 | 178.5 | 169.7 | 0 | 0 | 112 | K1940 G1981 K1982 F1983 H1988 S1989 | K1940-E1985 IonicContact NZ-OE1 3.3Å; K1940-E1985 PolarHBondContact NZ-OE1 2.99Å; K1940-E1985 IonicContact NZ-OE2 2.68Å; K1940-E1985 PolarHBondContact NZ-OE2 2.82Å; G1981-E1985 WeakPolarHBondContact O-CB 3.44Å; G1981-E1985 WeakPolarHBondContact O-CG 3.41Å; G1981-E1985 PolarHBondContact O-N 3.38Å; G1981-E1985 VanDerWaalsContact O-N 3.09Å; K1982-E1985 CarbonylContact O-C 3.56Å; K1982-E1985 PolarHBondContact O-N 2.91Å; F1983-E1985 VanDerWaalsContact C-N 3.34Å; E1985-H1988 PolarHBondContact O-N 3.44Å; E1985-S1989 WeakPolarHBondContact O-CA 3.38Å; E1985-S1989 VanDerWaalsContact O-CB 3.28Å; E1985-S1989 WeakPolarHBondContact O-CB 3.26Å; E1985-S1989 PolarHBondContact O-N 3.21Å |
| 1986 | F | 45 | Very low | 40.4 | Very low | 39.2 Ų | 39.2 | 52.8 Ų | 52.8 | 17% | 0.172 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62 | -48.5 | 175.1 | 171.5 | -101.5 | 0 | 0 | 0 | 111.7 | F1944 M1949 I1952 K1982 F1983 T1984 H1988 S1989 L1990 I2024 C2031 I2048 I2052 | F1944-F1986 HydrophobicContact CE1-CZ 4.12Å; F1944-F1986 AromaticContact CZ-CE2 3.96Å; F1944-F1986 HydrophobicContact CZ-CE2 3.96Å; F1944-F1986 AromaticContact CZ-CZ 3.82Å; F1944-F1986 HydrophobicContact CZ-CZ 3.82Å; M1949-F1986 HydrophobicContact SD-CE1 4.25Å; M1949-F1986 HydrophobicContact SD-CZ 4.03Å; I1952-F1986 HydrophobicContact CD1-CE1 4.03Å; I1952-F1986 HydrophobicContact CD1-CE2 3.65Å; I1952-F1986 HydrophobicContact CD1-CZ 3.37Å; I1952-F1986 HydrophobicContact CG2-CD1 4.46Å; I1952-F1986 HydrophobicContact CG2-CE1 4.08Å; I1952-F1986 HydrophobicContact CG2-CZ 4.48Å; K1982-F1986 VanDerWaalsContact O-CB 3.23Å; K1982-F1986 WeakPolarHBondContact O-CB 3.29Å; K1982-F1986 PolarHBondContact O-N 3.05Å; F1983-F1986 HydrophobicContact CD2-CD1 4.25Å; F1983-F1986 HydrophobicContact CE2-CD1 4.22Å; F1983-F1986 HydrophobicContact CE2-CE1 4.41Å; F1983-F1986 PolarHBondContact O-N 3.16Å; T1984-F1986 PolarHBondContact O-N 3.01Å; F1986-H1988 VanDerWaalsContact C-N 3.31Å; F1986-H1988 PolarHBondContact O-N 2.98Å; F1986-S1989 CarbonylContact O-C 3.58Å; F1986-S1989 WeakPolarHBondContact O-CB 3.21Å; F1986-S1989 PolarHBondContact O-N 2.89Å; F1986-S1989 VanDerWaalsContact O-N 3.15Å; F1986-L1990 HydrophobicContact CD1-CD1 4.37Å; F1986-L1990 HydrophobicContact CD2-CD1 4.46Å; F1986-L1990 HydrophobicContact CE1-CD1 3.9Å; F1986-L1990 HydrophobicContact CE2-CD1 3.75Å; F1986-L1990 HydrophobicContact CZ-CD1 3.96Å; F1986-L1990 VanDerWaalsContact O-CB 3.28Å; F1986-L1990 WeakPolarHBondContact O-CB 3.35Å; F1986-L1990 PolarHBondContact O-N 3.18Å; F1986-I2024 HydrophobicContact CD2-CG1 4.11Å; F1986-I2024 HydrophobicContact CE2-CD1 3.64Å; F1986-I2024 HydrophobicContact CE2-CG1 3.66Å; F1986-I2024 HydrophobicContact CE2-CG2 4.34Å; F1986-I2024 HydrophobicContact CZ-CD1 4.47Å; F1986-C2031 HydrophobicContact CD2-CB 3.98Å; F1986-C2031 HydrophobicContact CE2-CB 4.21Å; F1986-C2031 VanDerWaalsContact CE2-SG 3.57Å; F1986-I2048 HydrophobicContact CE1-CG1 4.49Å; F1986-I2048 HydrophobicContact CE2-CG1 4.41Å; F1986-I2048 HydrophobicContact CZ-CG1 4.3Å; F1986-I2048 HydrophobicContact CZ-CG2 4.25Å; F1986-I2052 HydrophobicContact CZ-CG1 4.45Å |
| 1987 | Y | 42.9 | Very low | 39.8 | Very low | 27 Ų | 27 | 56.9 Ų | 56.9 | 11% | 0.106 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.4 | -39 | 179.4 | -171.3 | -109 | 0 | 0 | 0 | 111.7 | D1951 I1952 T1953 F1983 T1984 L1990 I1991 I2024 L2054 | D1951-Y1987 WeakPolarHBondContact CB-OH 3.29Å; D1951-Y1987 PolarHBondContact OD2-OH 3.12Å; D1951-Y1987 VanDerWaalsContact OD2-OH 3.08Å; I1952-Y1987 HydrophobicContact CD1-CE1 4.34Å; I1952-Y1987 HydrophobicContact CG1-CE1 4.06Å; T1953-Y1987 HydrophobicContact CG2-CD1 4.22Å; T1953-Y1987 HydrophobicContact CG2-CE1 4.41Å; T1953-Y1987 WeakPolarHBondContact OG1-CD1 3.16Å; T1953-Y1987 WeakPolarHBondContact OG1-CE1 3.04Å; F1983-Y1987 HydrophobicContact CZ-CD2 4.32Å; F1983-Y1987 WeakPolarHBondContact O-CB 3.24Å; F1983-Y1987 PolarHBondContact O-N 3.01Å; T1984-Y1987 PolarHBondContact O-N 2.9Å; Y1987-L1990 HydrophobicContact CD2-CD2 4.39Å; Y1987-L1990 WeakPolarHBondContact O-CB 3.41Å; Y1987-L1990 PolarHBondContact O-N 2.85Å; Y1987-I1991 HydrophobicContact CD1-CD1 3.72Å; Y1987-I1991 HydrophobicContact CD1-CG1 4.35Å; Y1987-I1991 HydrophobicContact CD2-CD1 4.35Å; Y1987-I1991 HydrophobicContact CE1-CD1 3.36Å; Y1987-I1991 HydrophobicContact CE1-CG1 4.27Å; Y1987-I1991 HydrophobicContact CE2-CD1 4.07Å; Y1987-I1991 HydrophobicContact CG-CD1 4.34Å; Y1987-I1991 VanDerWaalsContact CZ-CD1 3.41Å; Y1987-I1991 WeakPolarHBondContact O-CB 3.31Å; Y1987-I1991 WeakPolarHBondContact O-CD1 3.34Å; Y1987-I1991 VanDerWaalsContact O-CG1 3.3Å; Y1987-I1991 WeakPolarHBondContact O-CG1 3.35Å; Y1987-I1991 PolarHBondContact O-N 3.13Å; Y1987-I1991 VanDerWaalsContact O-N 3.09Å; Y1987-I2024 HydrophobicContact CD1-CG2 4.21Å; Y1987-I2024 HydrophobicContact CE1-CB 3.91Å; Y1987-I2024 HydrophobicContact CE1-CG2 3.47Å; Y1987-I2024 VanDerWaalsContact CE1-CG2 3.47Å; Y1987-I2024 HydrophobicContact CE2-CG2 4.41Å; Y1987-I2024 WeakPolarHBondContact OH-CD1 3.44Å; Y1987-L2054 HydrophobicContact CE2-CB 3.68Å; Y1987-L2054 HydrophobicContact CE2-CD1 4.36Å |
| 1988 | H | 44.1 | Very low | 39.1 | Very low | 56.4 Ų | 56.4 | 59.3 Ų | 59.3 | 26% | 0.261 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 172.1 | -108.2 | 0.4 | 0 | 0 | 0 | 112.8 | H1942 F1944 D1950 T1984 E1985 F1986 L1990 I1991 N1992 Y2025 E2179 | H1942-H1988 WeakPolarHBondContact CB-NE2 3.14Å; H1942-H1988 AromaticContact CD2-CD2 3.74Å; H1942-H1988 AromaticContact CD2-NE2 3.64Å; H1942-H1988 AromaticContact CG-CD2 3.63Å; H1942-H1988 AromaticContact CG-NE2 3.59Å; H1942-H1988 AromaticContact ND1-CD2 3.77Å; F1944-H1988 AromaticContact CD2-CE1 3.88Å; F1944-H1988 AromaticContact CE1-CE1 3.52Å; F1944-H1988 AromaticContact CE2-CE1 3.24Å; F1944-H1988 WeakPolarHBondContact CE2-CE1 3.36Å; F1944-H1988 AromaticContact CE2-NE2 3.4Å; F1944-H1988 WeakPolarHBondContact CE2-NE2 3.35Å; F1944-H1988 AromaticContact CZ-CE1 3.05Å; F1944-H1988 WeakPolarHBondContact CZ-CE1 3.18Å; F1944-H1988 AromaticContact CZ-ND1 3.79Å; F1944-H1988 AromaticContact CZ-NE2 3.46Å; F1944-H1988 WeakPolarHBondContact CZ-NE2 3.28Å; D1950-H1988 IonicContact OD2-CE1 2.66Å; D1950-H1988 PolarHBondContact OD2-CE1 2.95Å; T1984-H1988 VanDerWaalsContact O-CB 3.28Å; T1984-H1988 WeakPolarHBondContact O-CB 3.38Å; T1984-H1988 PolarHBondContact O-N 2.91Å; E1985-H1988 PolarHBondContact O-N 3.44Å; F1986-H1988 VanDerWaalsContact C-N 3.31Å; F1986-H1988 PolarHBondContact O-N 2.98Å; H1988-L1990 VanDerWaalsContact C-N 3.3Å; H1988-L1990 PolarHBondContact O-N 3.03Å; H1988-I1991 PolarHBondContact O-N 3.35Å; H1988-N1992 PolarHBondContact CD2-ND2 3.37Å; H1988-N1992 VanDerWaalsContact CD2-ND2 3.32Å; H1988-N1992 PolarHBondContact ND1-ND2 3.4Å; H1988-N1992 PolarHBondContact NE2-ND2 2.99Å; H1988-N1992 WeakPolarHBondContact O-CA 3.43Å; H1988-N1992 VanDerWaalsContact O-CB 3.26Å; H1988-N1992 WeakPolarHBondContact O-CB 3.34Å; H1988-N1992 PolarHBondContact O-N 3.09Å; H1988-N1992 VanDerWaalsContact O-N 3.14Å; H1988-N1992 PolarHBondContact O-ND2 3.1Å; H1988-Y2025 HydrophobicContact CB-CD2 4.05Å; H1988-Y2025 HydrophobicContact CB-CE2 3.84Å; H1988-Y2025 AromaticContact CG-CE2 3.85Å; H1988-Y2025 AromaticContact ND1-CD2 3.72Å; H1988-Y2025 AromaticContact ND1-CE2 3.26Å; H1988-Y2025 VanDerWaalsContact ND1-CE2 3.26Å; H1988-Y2025 WeakPolarHBondContact ND1-CE2 3.43Å; H1988-Y2025 AromaticContact ND1-CZ 3.83Å; H1988-E2179 IonicContact CE1-OE1 3.85Å |
| 1989 | S | 43.8 | Very low | 38.3 | Very low | 75.2 Ų | 75.2 | 63 Ų | 63 | 53% | 0.526 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 175.2 | -170 | 0 | 0 | 0 | 0 | 110.9 | E1985 F1986 N1992 S1993 | E1985-S1989 WeakPolarHBondContact O-CA 3.38Å; E1985-S1989 VanDerWaalsContact O-CB 3.28Å; E1985-S1989 WeakPolarHBondContact O-CB 3.26Å; E1985-S1989 PolarHBondContact O-N 3.21Å; F1986-S1989 CarbonylContact O-C 3.58Å; F1986-S1989 WeakPolarHBondContact O-CB 3.21Å; F1986-S1989 PolarHBondContact O-N 2.89Å; F1986-S1989 VanDerWaalsContact O-N 3.15Å; S1989-N1992 PolarHBondContact O-N 2.98Å; S1989-S1993 VanDerWaalsContact O-CA 3.26Å; S1989-S1993 WeakPolarHBondContact O-CA 3.43Å; S1989-S1993 VanDerWaalsContact O-CB 3.25Å; S1989-S1993 WeakPolarHBondContact O-CB 3.39Å; S1989-S1993 PolarHBondContact O-N 3.21Å; S1989-S1993 PolarHBondContact O-OG 3.33Å |
| 1990 | L | 42.1 | Very low | 37.6 | Very low | 28.4 Ų | 28.4 | 66.9 Ų | 66.9 | 15% | 0.149 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.2 | -50.3 | 174.9 | -150.3 | 106.3 | 0 | 0 | 0 | 111.2 | F1944 M1949 F1986 Y1987 H1988 N1992 S1993 V1996 A2027 S2055 | F1944-L1990 HydrophobicContact CD2-CD1 4.4Å; F1944-L1990 HydrophobicContact CE1-CD1 3.96Å; F1944-L1990 HydrophobicContact CE2-CD1 3.56Å; F1944-L1990 HydrophobicContact CZ-CD1 3.3Å; M1949-L1990 HydrophobicContact CE-CD1 4.49Å; M1949-L1990 HydrophobicContact CE-CD2 4.04Å; M1949-L1990 HydrophobicContact SD-CD1 4.27Å; F1986-L1990 HydrophobicContact CD1-CD1 4.37Å; F1986-L1990 HydrophobicContact CD2-CD1 4.46Å; F1986-L1990 HydrophobicContact CE1-CD1 3.9Å; F1986-L1990 HydrophobicContact CE2-CD1 3.75Å; F1986-L1990 HydrophobicContact CZ-CD1 3.96Å; F1986-L1990 VanDerWaalsContact O-CB 3.28Å; F1986-L1990 WeakPolarHBondContact O-CB 3.35Å; F1986-L1990 PolarHBondContact O-N 3.18Å; Y1987-L1990 HydrophobicContact CD2-CD2 4.39Å; Y1987-L1990 WeakPolarHBondContact O-CB 3.41Å; Y1987-L1990 PolarHBondContact O-N 2.85Å; H1988-L1990 VanDerWaalsContact C-N 3.3Å; H1988-L1990 PolarHBondContact O-N 3.03Å; L1990-N1992 VanDerWaalsContact C-N 3.34Å; L1990-N1992 PolarHBondContact O-N 3.02Å; L1990-S1993 VanDerWaalsContact O-CB 3.28Å; L1990-S1993 WeakPolarHBondContact O-CB 3.41Å; L1990-S1993 PolarHBondContact O-N 3.13Å; L1990-S1993 PolarHBondContact O-OG 3.22Å; L1990-V1996 WeakPolarHBondContact O-CB 3.34Å; L1990-V1996 WeakPolarHBondContact O-CG2 3.37Å; L1990-A2027 HydrophobicContact CD1-CB 4.05Å; L1990-S2055 VanDerWaalsContact CD2-CB 3.42Å; L1990-S2055 WeakPolarHBondContact CD2-OG 3.22Å |
| 1991 | I | 39.4 | Very low | 36.8 | Very low | 40.6 Ų | 40.6 | 71.1 Ų | 71.1 | 21% | 0.208 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 178.9 | -71.7 | 171.4 | 0 | 0 | 0 | 112.3 | Y1987 H1988 S1993 V1996 L2000 N2021 | Y1987-I1991 HydrophobicContact CD1-CD1 3.72Å; Y1987-I1991 HydrophobicContact CD1-CG1 4.35Å; Y1987-I1991 HydrophobicContact CD2-CD1 4.35Å; Y1987-I1991 HydrophobicContact CE1-CD1 3.36Å; Y1987-I1991 HydrophobicContact CE1-CG1 4.27Å; Y1987-I1991 HydrophobicContact CE2-CD1 4.07Å; Y1987-I1991 HydrophobicContact CG-CD1 4.34Å; Y1987-I1991 VanDerWaalsContact CZ-CD1 3.41Å; Y1987-I1991 WeakPolarHBondContact O-CB 3.31Å; Y1987-I1991 WeakPolarHBondContact O-CD1 3.34Å; Y1987-I1991 VanDerWaalsContact O-CG1 3.3Å; Y1987-I1991 WeakPolarHBondContact O-CG1 3.35Å; Y1987-I1991 PolarHBondContact O-N 3.13Å; Y1987-I1991 VanDerWaalsContact O-N 3.09Å; H1988-I1991 PolarHBondContact O-N 3.35Å; I1991-S1993 VanDerWaalsContact C-N 3.31Å; I1991-S1993 PolarHBondContact O-N 2.99Å; I1991-V1996 WeakPolarHBondContact O-CB 3.46Å; I1991-L2000 HydrophobicContact CG2-CD1 4.49Å; I1991-N2021 HydrophobicContact CD1-CB 3.84Å; I1991-N2021 HydrophobicContact CG1-CB 4.26Å |
| 1992 | N | 36.9 | Very low | 36 | Very low | 85.4 Ų | 85.4 | 75.2 Ų | 75.2 | 46% | 0.457 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -85.6 | -6.6 | -179.9 | -72.4 | -53.4 | 0 | 0 | 0 | 113.6 | H1988 S1989 L1990 K1994 K1997 | H1988-N1992 PolarHBondContact CD2-ND2 3.37Å; H1988-N1992 VanDerWaalsContact CD2-ND2 3.32Å; H1988-N1992 PolarHBondContact ND1-ND2 3.4Å; H1988-N1992 PolarHBondContact NE2-ND2 2.99Å; H1988-N1992 WeakPolarHBondContact O-CA 3.43Å; H1988-N1992 VanDerWaalsContact O-CB 3.26Å; H1988-N1992 WeakPolarHBondContact O-CB 3.34Å; H1988-N1992 PolarHBondContact O-N 3.09Å; H1988-N1992 VanDerWaalsContact O-N 3.14Å; H1988-N1992 PolarHBondContact O-ND2 3.1Å; S1989-N1992 PolarHBondContact O-N 2.98Å; L1990-N1992 VanDerWaalsContact C-N 3.34Å; L1990-N1992 PolarHBondContact O-N 3.02Å; N1992-K1994 PolarHBondContact O-N 3.38Å; N1992-K1997 WeakPolarHBondContact OD1-CE 3.45Å; N1992-K1997 PolarHBondContact OD1-NZ 2.7Å |
| 1993 | S | 37.3 | Very low | 35 | Very low | 31 Ų | 31 | 79.9 Ų | 79.9 | 22% | 0.217 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -59.2 | 141.6 | 173.6 | 73.1 | 0 | 0 | 0 | 0 | 110 | S1989 L1990 I1991 C1995 V1996 K1997 | S1989-S1993 VanDerWaalsContact O-CA 3.26Å; S1989-S1993 WeakPolarHBondContact O-CA 3.43Å; S1989-S1993 VanDerWaalsContact O-CB 3.25Å; S1989-S1993 WeakPolarHBondContact O-CB 3.39Å; S1989-S1993 PolarHBondContact O-N 3.21Å; S1989-S1993 PolarHBondContact O-OG 3.33Å; L1990-S1993 VanDerWaalsContact O-CB 3.28Å; L1990-S1993 WeakPolarHBondContact O-CB 3.41Å; L1990-S1993 PolarHBondContact O-N 3.13Å; L1990-S1993 PolarHBondContact O-OG 3.22Å; I1991-S1993 VanDerWaalsContact C-N 3.31Å; I1991-S1993 PolarHBondContact O-N 2.99Å; S1993-C1995 PolarHBondContact O-N 3.21Å; S1993-C1995 VanDerWaalsContact O-N 3.15Å; S1993-V1996 PolarHBondContact O-N 3.04Å; S1993-V1996 PolarHBondContact OG-N 2.8Å; S1993-K1997 PolarHBondContact O-N 3.16Å |
| 1994 | K | 29.6 | Very low | 34 | Very low | 162.6 Ų | 162.6 | 82.1 Ų | 82.1 | 71% | 0.707 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -56.5 | -26.4 | -178.4 | -79.9 | -176.4 | 175.3 | 178.9 | 0 | 113 | N1992 V1996 K1997 I1998 | N1992-K1994 PolarHBondContact O-N 3.38Å; K1994-V1996 VanDerWaalsContact C-N 3.31Å; K1994-V1996 PolarHBondContact O-N 3.34Å; K1994-K1997 CarbonylContact O-C 3.38Å; K1994-K1997 WeakPolarHBondContact O-CA 3.15Å; K1994-K1997 WeakPolarHBondContact O-CB 3.47Å; K1994-K1997 PolarHBondContact O-N 3.14Å; K1994-K1997 VanDerWaalsContact O-N 3.16Å; K1994-I1998 HydrophobicContact CB-CD1 4.11Å; K1994-I1998 HydrophobicContact CG-CD1 4.4Å; K1994-I1998 WeakPolarHBondContact O-CB 3.49Å; K1994-I1998 WeakPolarHBondContact O-CD1 3.24Å; K1994-I1998 VanDerWaalsContact O-CG1 3.28Å; K1994-I1998 WeakPolarHBondContact O-CG1 3.33Å; K1994-I1998 PolarHBondContact O-N 3.01Å; K1994-I1998 VanDerWaalsContact O-N 3.13Å |
| 1995 | C | 29.4 | Very low | 33.1 | Very low | 50.2 Ų | 50.2 | 86.6 Ų | 86.6 | 34% | 0.339 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.4 | -36.4 | 179.7 | -60.7 | 0 | 0 | 0 | 0 | 113.3 | S1993 K1997 I1998 E1999 L2020 S2023 | S1993-C1995 PolarHBondContact O-N 3.21Å; S1993-C1995 VanDerWaalsContact O-N 3.15Å; C1995-K1997 VanDerWaalsContact C-N 3.27Å; C1995-K1997 PolarHBondContact O-N 3.18Å; C1995-I1998 PolarHBondContact O-N 2.76Å; C1995-I1998 VanDerWaalsContact O-N 3.11Å; C1995-E1999 PolarHBondContact O-N 2.99Å; C1995-L2020 HydrophobicContact CB-CB 4.12Å; C1995-L2020 HydrophobicContact CB-CD1 3.54Å; C1995-L2020 HydrophobicContact CB-CG 4.35Å; C1995-S2023 PolarHBondContact SG-OG 3.13Å |
| 1996 | V | 29.7 | Very low | 32.1 | Very low | 45.8 Ų | 45.8 | 85.3 Ų | 85.3 | 28% | 0.278 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -78.4 | -27.1 | 177 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | L1990 I1991 S1993 K1994 I1998 L2000 | L1990-V1996 WeakPolarHBondContact O-CB 3.34Å; L1990-V1996 WeakPolarHBondContact O-CG2 3.37Å; I1991-V1996 WeakPolarHBondContact O-CB 3.46Å; S1993-V1996 PolarHBondContact O-N 3.04Å; S1993-V1996 PolarHBondContact OG-N 2.8Å; K1994-V1996 VanDerWaalsContact C-N 3.31Å; K1994-V1996 PolarHBondContact O-N 3.34Å; V1996-I1998 VanDerWaalsContact C-N 3.33Å; V1996-I1998 PolarHBondContact O-N 2.73Å; V1996-L2000 HydrophobicContact CG1-CD1 3.94Å; V1996-L2000 HydrophobicContact CG1-CG 4.34Å; V1996-L2000 WeakPolarHBondContact O-CB 3.27Å; V1996-L2000 VanDerWaalsContact O-CG 3.24Å; V1996-L2000 WeakPolarHBondContact O-CG 3.44Å; V1996-L2000 PolarHBondContact O-N 3.27Å |
| 1997 | K | 26.5 | Very low | 31.1 | Very low | 112.2 Ų | 112.2 | 92.3 Ų | 92.3 | 49% | 0.488 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -78.6 | -17.6 | 174.7 | -82.4 | -175.3 | 173.7 | 174 | 0 | 114.7 | N1992 S1993 K1994 C1995 L2000 H2001 | N1992-K1997 WeakPolarHBondContact OD1-CE 3.45Å; N1992-K1997 PolarHBondContact OD1-NZ 2.7Å; S1993-K1997 PolarHBondContact O-N 3.16Å; K1994-K1997 CarbonylContact O-C 3.38Å; K1994-K1997 WeakPolarHBondContact O-CA 3.15Å; K1994-K1997 WeakPolarHBondContact O-CB 3.47Å; K1994-K1997 PolarHBondContact O-N 3.14Å; K1994-K1997 VanDerWaalsContact O-N 3.16Å; C1995-K1997 VanDerWaalsContact C-N 3.27Å; C1995-K1997 PolarHBondContact O-N 3.18Å; K1997-L2000 PolarHBondContact O-N 3.46Å; K1997-H2001 WeakPolarHBondContact O-CB 3.29Å; K1997-H2001 PolarHBondContact O-N 3.32Å |
| 1998 | I | 27 | Very low | 30.1 | Very low | 87.4 Ų | 87.4 | 94.9 Ų | 94.9 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -87.8 | -18.3 | -177.8 | -68.8 | 166.1 | 0 | 0 | 0 | 110.8 | K1994 C1995 V1996 L2000 H2001 N2002 I2012 | K1994-I1998 HydrophobicContact CB-CD1 4.11Å; K1994-I1998 HydrophobicContact CG-CD1 4.4Å; K1994-I1998 WeakPolarHBondContact O-CB 3.49Å; K1994-I1998 WeakPolarHBondContact O-CD1 3.24Å; K1994-I1998 VanDerWaalsContact O-CG1 3.28Å; K1994-I1998 WeakPolarHBondContact O-CG1 3.33Å; K1994-I1998 PolarHBondContact O-N 3.01Å; K1994-I1998 VanDerWaalsContact O-N 3.13Å; C1995-I1998 PolarHBondContact O-N 2.76Å; C1995-I1998 VanDerWaalsContact O-N 3.11Å; V1996-I1998 VanDerWaalsContact C-N 3.33Å; V1996-I1998 PolarHBondContact O-N 2.73Å; I1998-L2000 VanDerWaalsContact C-N 3.27Å; I1998-L2000 PolarHBondContact O-N 3.19Å; I1998-H2001 PolarHBondContact O-N 3.31Å; I1998-N2002 VanDerWaalsContact O-CG 3.32Å; I1998-N2002 PolarHBondContact O-N 2.98Å; I1998-N2002 PolarHBondContact O-ND2 3.27Å; I1998-I2012 HydrophobicContact CG2-CD1 4.31Å |
| 1999 | E | 26.1 | Very low | 29.2 | Very low | 145 Ų | 145 | 98.8 Ų | 98.8 | 68% | 0.678 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -84.6 | -18.8 | 160.8 | -74.9 | -178.1 | 134.4 | 0 | 0 | 113 | C1995 H2001 N2002 | C1995-E1999 PolarHBondContact O-N 2.99Å; E1999-H2001 VanDerWaalsContact C-N 3.3Å; E1999-H2001 PolarHBondContact O-N 3.09Å; E1999-H2001 VanDerWaalsContact O-N 3.08Å; E1999-N2002 HydrophobicContact CB-CB 4.27Å; E1999-N2002 PolarHBondContact O-N 3.34Å; E1999-N2002 VanDerWaalsContact O-N 3.17Å; E1999-N2002 PolarHBondContact OE1-ND2 2.83Å; E1999-N2002 PolarHBondContact OE1-OD1 3.08Å; E1999-N2002 PolarHBondContact OE2-ND2 3.26Å; E1999-N2002 VanDerWaalsContact OE2-ND2 3.09Å |
| 2000 | L | 26.3 | Very low | 28.3 | Very low | 119 Ų | 119 | 102.2 Ų | 102.2 | 62% | 0.623 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.5 | 0.4 | 172.7 | -90 | 165 | 0 | 0 | 0 | 114.3 | I1991 V1996 K1997 I1998 L2017 | I1991-L2000 HydrophobicContact CG2-CD1 4.49Å; V1996-L2000 HydrophobicContact CG1-CD1 3.94Å; V1996-L2000 HydrophobicContact CG1-CG 4.34Å; V1996-L2000 WeakPolarHBondContact O-CB 3.27Å; V1996-L2000 VanDerWaalsContact O-CG 3.24Å; V1996-L2000 WeakPolarHBondContact O-CG 3.44Å; V1996-L2000 PolarHBondContact O-N 3.27Å; K1997-L2000 PolarHBondContact O-N 3.46Å; I1998-L2000 VanDerWaalsContact C-N 3.27Å; I1998-L2000 PolarHBondContact O-N 3.19Å; L2000-L2017 HydrophobicContact CD1-CD2 4.34Å |
| 2001 | H | 26.5 | Very low | 27.4 | Very low | 116.2 Ų | 116.2 | 109.7 Ų | 109.7 | 54% | 0.538 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 5.2 | -178.4 | -109.7 | -58.3 | 0 | 0 | 0 | 113.7 | K1997 I1998 E1999 E2003 S2004 L2005 | K1997-H2001 WeakPolarHBondContact O-CB 3.29Å; K1997-H2001 PolarHBondContact O-N 3.32Å; I1998-H2001 PolarHBondContact O-N 3.31Å; E1999-H2001 VanDerWaalsContact C-N 3.3Å; E1999-H2001 PolarHBondContact O-N 3.09Å; E1999-H2001 VanDerWaalsContact O-N 3.08Å; H2001-E2003 VanDerWaalsContact C-N 3.33Å; H2001-E2003 CarbonylContact C-O 3.21Å; H2001-E2003 VanDerWaalsContact C-O 3.29Å; H2001-E2003 PolarHBondContact ND1-O 3.09Å; H2001-E2003 VanDerWaalsContact ND1-O 3.17Å; H2001-E2003 CarbonylContact O-C 3.58Å; H2001-E2003 PolarHBondContact O-N 3.27Å; H2001-S2004 WeakPolarHBondContact O-CB 2.91Å; H2001-S2004 PolarHBondContact O-N 3.14Å; H2001-S2004 VanDerWaalsContact O-N 3.1Å; H2001-S2004 PolarHBondContact O-OG 3.26Å; H2001-L2005 HydrophobicContact CB-CD1 3.88Å; H2001-L2005 WeakPolarHBondContact O-CD1 3.42Å; H2001-L2005 WeakPolarHBondContact O-CG 3.47Å |
| 2002 | N | 25 | Very low | 26.8 | Very low | 109.6 Ų | 109.6 | 112.7 Ų | 112.7 | 59% | 0.586 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -82.4 | -7.8 | 179.7 | -86.3 | -10 | 0 | 0 | 0 | 114.6 | I1998 E1999 S2004 L2005 | I1998-N2002 VanDerWaalsContact O-CG 3.32Å; I1998-N2002 PolarHBondContact O-N 2.98Å; I1998-N2002 PolarHBondContact O-ND2 3.27Å; E1999-N2002 HydrophobicContact CB-CB 4.27Å; E1999-N2002 PolarHBondContact O-N 3.34Å; E1999-N2002 VanDerWaalsContact O-N 3.17Å; E1999-N2002 PolarHBondContact OE1-ND2 2.83Å; E1999-N2002 PolarHBondContact OE1-OD1 3.08Å; E1999-N2002 PolarHBondContact OE2-ND2 3.26Å; E1999-N2002 VanDerWaalsContact OE2-ND2 3.09Å; N2002-S2004 VanDerWaalsContact C-N 3.28Å; N2002-S2004 PolarHBondContact O-N 3.01Å; N2002-S2004 PolarHBondContact O-OG 3.1Å; N2002-L2005 PolarHBondContact O-N 3.09Å |
| 2003 | E | 24.5 | Very low | 26.3 | Very low | 171.2 Ų | 171.2 | 111.5 Ų | 111.5 | 80% | 0.8 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -81.8 | 45.6 | 161.3 | -72.9 | -167 | 151 | 0 | 0 | 111.5 | H2001 L2005 | H2001-E2003 VanDerWaalsContact C-N 3.33Å; H2001-E2003 CarbonylContact C-O 3.21Å; H2001-E2003 VanDerWaalsContact C-O 3.29Å; H2001-E2003 PolarHBondContact ND1-O 3.09Å; H2001-E2003 VanDerWaalsContact ND1-O 3.17Å; H2001-E2003 CarbonylContact O-C 3.58Å; H2001-E2003 PolarHBondContact O-N 3.27Å; E2003-L2005 PolarHBondContact O-N 3.15Å |
| 2004 | S | 23.9 | Very low | 25.9 | Very low | 88.4 Ų | 88.4 | 116.4 Ų | 116.4 | 62% | 0.618 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | 25.8 | 169.6 | 63.2 | 0 | 0 | 0 | 0 | 115 | H2001 N2002 S2006 N2456 | H2001-S2004 WeakPolarHBondContact O-CB 2.91Å; H2001-S2004 PolarHBondContact O-N 3.14Å; H2001-S2004 VanDerWaalsContact O-N 3.1Å; H2001-S2004 PolarHBondContact O-OG 3.26Å; N2002-S2004 VanDerWaalsContact C-N 3.28Å; N2002-S2004 PolarHBondContact O-N 3.01Å; N2002-S2004 PolarHBondContact O-OG 3.1Å; S2004-S2006 PolarHBondContact O-N 3.45Å; S2004-N2456 PolarHBondContact O-ND2 2.95Å |
| 2005 | L | 23.9 | Very low | 25.8 | Very low | 118.4 Ų | 118.4 | 114.5 Ų | 114.5 | 62% | 0.62 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -118.8 | 72.6 | 173.5 | -87.5 | 164.6 | 0 | 0 | 0 | 114.1 | H2001 N2002 E2003 K2007 I2012 N2453 N2456 | H2001-L2005 HydrophobicContact CB-CD1 3.88Å; H2001-L2005 WeakPolarHBondContact O-CD1 3.42Å; H2001-L2005 WeakPolarHBondContact O-CG 3.47Å; N2002-L2005 PolarHBondContact O-N 3.09Å; E2003-L2005 PolarHBondContact O-N 3.15Å; L2005-K2007 PolarHBondContact O-N 3Å; L2005-I2012 HydrophobicContact CD1-CD1 4.4Å; L2005-N2453 WeakPolarHBondContact CA-OD1 3.46Å; L2005-N2453 HydrophobicContact CB-CB 4.47Å; L2005-N2453 VanDerWaalsContact CB-OD1 3.22Å; L2005-N2453 WeakPolarHBondContact CB-OD1 3.33Å; L2005-N2453 HydrophobicContact CD2-CB 3.56Å; L2005-N2453 PolarHBondContact O-OD1 3.19Å; L2005-N2456 HydrophobicContact CD2-CB 3.65Å |
| 2006 | S | 24.1 | Very low | 25.9 | Very low | 81.4 Ų | 81.4 | 115.5 Ų | 115.5 | 57% | 0.569 | 57% | 0.569 | S | S | * | * | trans | -40.1 | 106.8 | 159.7 | 60.3 | 0 | 0 | 0 | 0 | 115.2 | S2004 S2008 Q2452 | S2004-S2006 PolarHBondContact O-N 3.45Å; S2006-S2008 VanDerWaalsContact C-N 3.27Å; S2006-S2008 WeakPolarHBondContact O-CB 3.39Å; S2006-S2008 PolarHBondContact O-N 3.19Å; S2006-S2008 PolarHBondContact O-OG 3.46Å; S2006-Q2452 PolarHBondContact O-OE1 3.21Å; S2006-Q2452 VanDerWaalsContact OG-CD 3.26Å; S2006-Q2452 PolarHBondContact OG-OE1 2.89Å | ||
| 2007 | K | 23.3 | Very low | 26.1 | Very low | 187.8 Ų | 187.8 | 116.3 Ų | 116.3 | 82% | 0.817 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 31.8 | 53 | 158.3 | -85.5 | 178.7 | 177 | 175.2 | 0 | 117.2 | L2005 N2449 | L2005-K2007 PolarHBondContact O-N 3Å; K2007-N2449 WeakPolarHBondContact O-CA 3.3Å; K2007-N2449 WeakPolarHBondContact O-CB 3.39Å; K2007-N2449 PolarHBondContact O-ND2 2.69Å; K2007-N2449 PolarHBondContact O-OD1 3.14Å |
| 2008 | S | 22.7 | Very low | 26.4 | Very low | 80.4 Ų | 80.4 | 116.3 Ų | 116.3 | 56% | 0.562 | 57% | 0.573 | S | S | * | * | trans | -171.9 | 124.2 | 169 | 77.6 | 0 | 0 | 0 | 0 | 117.6 | S2006 L2448 N2449 V2450 I2451 Q2452 N2453 | S2006-S2008 VanDerWaalsContact C-N 3.27Å; S2006-S2008 WeakPolarHBondContact O-CB 3.39Å; S2006-S2008 PolarHBondContact O-N 3.19Å; S2006-S2008 PolarHBondContact O-OG 3.46Å; S2008-L2448 WeakPolarHBondContact CB-O 3.5Å; S2008-L2448 PolarHBondContact OG-O 2.98Å; S2008-N2449 CarbonylContact C-O 3.58Å; S2008-N2449 VanDerWaalsContact OG-C 3.23Å; S2008-N2449 VanDerWaalsContact OG-CA 3.28Å; S2008-N2449 WeakPolarHBondContact OG-CA 3.47Å; S2008-V2450 CarbonylContact C-O 3.5Å; S2008-V2450 WeakPolarHBondContact OG-CA 3.43Å; S2008-V2450 PolarHBondContact OG-N 3.3Å; S2008-V2450 PolarHBondContact OG-O 2.84Å; S2008-I2451 PolarHBondContact OG-N 2.83Å; S2008-Q2452 CarbonylContact O-C 3.55Å; S2008-Q2452 WeakPolarHBondContact OG-CB 3.45Å; S2008-Q2452 PolarHBondContact OG-N 3.07Å; S2008-N2453 WeakPolarHBondContact O-CA 3.37Å; S2008-N2453 WeakPolarHBondContact O-CB 3.23Å; S2008-N2453 PolarHBondContact O-N 3.06Å; S2008-N2453 PolarHBondContact O-ND2 3.07Å; S2008-N2453 VanDerWaalsContact O-ND2 3.16Å; S2008-N2453 PolarHBondContact O-OD1 2.79Å; S2008-N2453 VanDerWaalsContact O-OD1 3.08Å | ||
| 2009 | Q | 25.3 | Very low | 26.9 | Very low | 139.6 Ų | 139.6 | 115.4 Ų | 115.4 | 65% | 0.652 | 57% | 0.569 | S | S | * | * | trans | 77.6 | 95.1 | 170.6 | -73.2 | 171.5 | -17 | 0 | 0 | 116.3 | R2011 N2449 V2450 I2451 N2453 C2454 | Q2009-R2011 VanDerWaalsContact C-N 3.27Å; Q2009-R2011 PolarHBondContact O-N 3.32Å; Q2009-N2449 WeakPolarHBondContact CA-O 3.3Å; Q2009-N2449 VanDerWaalsContact N-C 3.27Å; Q2009-N2449 PolarHBondContact N-O 2.99Å; Q2009-V2450 WeakPolarHBondContact CA-O 3.04Å; Q2009-V2450 WeakPolarHBondContact CB-O 3.32Å; Q2009-V2450 VanDerWaalsContact CD-C 3.45Å; Q2009-V2450 HydrophobicContact CG-CB 4.03Å; Q2009-V2450 HydrophobicContact CG-CG1 3.64Å; Q2009-V2450 HydrophobicContact CG-CG2 4.31Å; Q2009-V2450 WeakPolarHBondContact CG-O 3.35Å; Q2009-V2450 PolarHBondContact N-O 3.27Å; Q2009-V2450 PolarHBondContact OE1-O 3.35Å; Q2009-I2451 PolarHBondContact OE1-O 3.47Å; Q2009-N2453 HydrophobicContact CB-CB 3.77Å; Q2009-N2453 WeakPolarHBondContact O-CB 3.45Å; Q2009-N2453 PolarHBondContact O-ND2 3.27Å; Q2009-C2454 PolarHBondContact OE1-SG 3.03Å | ||
| 2010 | Y | 24 | Very low | 27.4 | Very low | 146.6 Ų | 146.6 | 110.1 Ų | 110.1 | 58% | 0.575 | 55% | 0.545 | S | S | * | . | trans | -166.8 | 104.5 | 152.3 | -79.3 | -63.6 | 0 | 0 | 0 | 115.6 | I2012 L2419 | Y2010-I2012 VanDerWaalsContact C-N 3.33Å; Y2010-I2012 HydrophobicContact CD1-CB 4.5Å; Y2010-I2012 HydrophobicContact CD1-CD1 3.19Å; Y2010-I2012 HydrophobicContact CD1-CG1 3.67Å; Y2010-I2012 HydrophobicContact CE1-CD1 3.5Å; Y2010-I2012 VanDerWaalsContact CE1-CD1 3.5Å; Y2010-I2012 HydrophobicContact CE1-CG1 4.39Å; Y2010-I2012 HydrophobicContact CG-CD1 4.12Å; Y2010-I2012 HydrophobicContact CG-CG1 4.46Å; Y2010-I2012 PolarHBondContact O-N 3.29Å; Y2010-I2012 VanDerWaalsContact O-N 3.15Å; Y2010-L2419 HydrophobicContact CD1-CD1 3.79Å; Y2010-L2419 HydrophobicContact CE1-CD1 3.61Å; Y2010-L2419 HydrophobicContact CE2-CD1 4.38Å; Y2010-L2419 HydrophobicContact CG-CD1 4.3Å | ||
| 2011 | R | 25 | Very low | 27.9 | Very low | 184.8 Ų | 184.8 | 107.5 Ų | 107.5 | 70% | 0.697 | 53% | 0.532 | S | S | * | . | trans | -50.4 | 52.1 | 151.4 | -70 | 179 | 178.2 | 175 | -2.7 | 110.9 | Q2009 D2013 M2422 | Q2009-R2011 VanDerWaalsContact C-N 3.27Å; Q2009-R2011 PolarHBondContact O-N 3.32Å; R2011-D2013 VanDerWaalsContact C-N 3.26Å; R2011-D2013 PolarHBondContact O-N 2.93Å; R2011-D2013 VanDerWaalsContact O-N 3.11Å; R2011-M2422 HydrophobicContact CB-CE 3.78Å; R2011-M2422 HydrophobicContact CB-SD 4.45Å; R2011-M2422 HydrophobicContact CG-CE 3.83Å; R2011-M2422 HydrophobicContact CG-SD 3.83Å; R2011-M2422 VanDerWaalsContact CZ-O 3.27Å; R2011-M2422 VanDerWaalsContact NH1-CB 3.27Å; R2011-M2422 PolarHBondContact NH1-O 2.88Å; R2011-M2422 PolarHBondContact NH2-O 3.03Å | ||
| 2012 | I | 25.5 | Very low | 28.6 | Very low | 103 Ų | 103 | 108.3 Ų | 108.3 | 53% | 0.528 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 63.4 | 163.7 | -65.5 | 179.4 | 0 | 0 | 0 | 107.5 | I1998 L2005 Y2010 Q2014 K2015 N2016 | I1998-I2012 HydrophobicContact CG2-CD1 4.31Å; L2005-I2012 HydrophobicContact CD1-CD1 4.4Å; Y2010-I2012 VanDerWaalsContact C-N 3.33Å; Y2010-I2012 HydrophobicContact CD1-CB 4.5Å; Y2010-I2012 HydrophobicContact CD1-CD1 3.19Å; Y2010-I2012 HydrophobicContact CD1-CG1 3.67Å; Y2010-I2012 HydrophobicContact CE1-CD1 3.5Å; Y2010-I2012 VanDerWaalsContact CE1-CD1 3.5Å; Y2010-I2012 HydrophobicContact CE1-CG1 4.39Å; Y2010-I2012 HydrophobicContact CG-CD1 4.12Å; Y2010-I2012 HydrophobicContact CG-CG1 4.46Å; Y2010-I2012 PolarHBondContact O-N 3.29Å; Y2010-I2012 VanDerWaalsContact O-N 3.15Å; I2012-Q2014 PolarHBondContact O-N 2.88Å; I2012-K2015 PolarHBondContact O-N 2.85Å; I2012-K2015 VanDerWaalsContact O-N 3.13Å; I2012-N2016 HydrophobicContact CG2-CB 3.89Å; I2012-N2016 WeakPolarHBondContact CG2-ND2 3.32Å; I2012-N2016 PolarHBondContact O-N 2.78Å |
| 2013 | D | 27.4 | Very low | 29.2 | Very low | 60.2 Ų | 60.2 | 105.4 Ų | 105.4 | 32% | 0.322 | 52% | 0.518 | S | S | . | . | trans | -61.3 | 138.2 | -172.2 | -63.3 | -40.7 | 0 | 0 | 0 | 112.6 | R2011 K2015 N2016 L2017 H2060 N2415 S2418 | R2011-D2013 VanDerWaalsContact C-N 3.26Å; R2011-D2013 PolarHBondContact O-N 2.93Å; R2011-D2013 VanDerWaalsContact O-N 3.11Å; D2013-K2015 HydrophobicContact CB-CB 3.82Å; D2013-K2015 HydrophobicContact CB-CD 4.2Å; D2013-K2015 HydrophobicContact CB-CG 3.96Å; D2013-K2015 PolarHBondContact O-N 3.07Å; D2013-K2015 VanDerWaalsContact O-N 3.11Å; D2013-K2015 IonicContact OD2-NZ 2.65Å; D2013-K2015 PolarHBondContact OD2-NZ 2.91Å; D2013-N2016 WeakPolarHBondContact O-CA 3.34Å; D2013-N2016 VanDerWaalsContact O-CB 3.26Å; D2013-N2016 WeakPolarHBondContact O-CB 3.45Å; D2013-N2016 PolarHBondContact O-N 3.03Å; D2013-L2017 VanDerWaalsContact O-CB 3.26Å; D2013-L2017 WeakPolarHBondContact O-CB 3.44Å; D2013-L2017 PolarHBondContact O-N 3.47Å; D2013-H2060 IonicContact OD1-CE1 3.23Å; D2013-H2060 PolarHBondContact OD1-CE1 3.28Å; D2013-H2060 IonicContact OD1-CG 2.62Å; D2013-H2060 IonicContact OD1-ND1 3.55Å; D2013-H2060 PolarHBondContact OD1-ND1 2.95Å; D2013-N2415 PolarHBondContact OD2-ND2 3.01Å; D2013-N2415 PolarHBondContact OD2-OD1 2.82Å; D2013-N2415 VanDerWaalsContact OD2-OD1 3.09Å; D2013-S2418 WeakPolarHBondContact OD1-CB 3.47Å | ||
| 2014 | Q | 28.7 | Very low | 29.8 | Very low | 133.8 Ų | 133.8 | 98.7 Ų | 98.7 | 63% | 0.625 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63 | -10.1 | 168.4 | -77.2 | 171.1 | -13.1 | 0 | 0 | 112.7 | I2012 N2016 L2017 E2018 | I2012-Q2014 PolarHBondContact O-N 2.88Å; Q2014-N2016 VanDerWaalsContact CA-N 3.26Å; Q2014-N2016 PolarHBondContact O-N 2.95Å; Q2014-L2017 WeakPolarHBondContact O-CB 3.46Å; Q2014-L2017 PolarHBondContact O-N 3.14Å; Q2014-E2018 PolarHBondContact O-N 3.15Å; Q2014-E2018 VanDerWaalsContact O-N 3.14Å |
| 2015 | K | 27.9 | Very low | 30.6 | Very low | 123.8 Ų | 123.8 | 100.2 Ų | 100.2 | 54% | 0.538 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.1 | -24.2 | 163.9 | -123.1 | 178.1 | -167.4 | 165.8 | 0 | 112 | I2012 D2013 L2017 E2018 D2019 E2414 N2415 | I2012-K2015 PolarHBondContact O-N 2.85Å; I2012-K2015 VanDerWaalsContact O-N 3.13Å; D2013-K2015 HydrophobicContact CB-CB 3.82Å; D2013-K2015 HydrophobicContact CB-CD 4.2Å; D2013-K2015 HydrophobicContact CB-CG 3.96Å; D2013-K2015 PolarHBondContact O-N 3.07Å; D2013-K2015 VanDerWaalsContact O-N 3.11Å; D2013-K2015 IonicContact OD2-NZ 2.65Å; D2013-K2015 PolarHBondContact OD2-NZ 2.91Å; K2015-L2017 VanDerWaalsContact C-N 3.31Å; K2015-L2017 PolarHBondContact O-N 3.25Å; K2015-L2017 VanDerWaalsContact O-N 3.15Å; K2015-E2018 CarbonylContact O-C 3.54Å; K2015-E2018 WeakPolarHBondContact O-CA 3.18Å; K2015-E2018 WeakPolarHBondContact O-CB 3.38Å; K2015-E2018 PolarHBondContact O-N 3.34Å; K2015-D2019 HydrophobicContact CB-CB 4.3Å; K2015-D2019 WeakPolarHBondContact O-CB 3.43Å; K2015-D2019 PolarHBondContact O-N 3Å; K2015-D2019 VanDerWaalsContact O-N 3.07Å; K2015-E2414 WeakPolarHBondContact CE-OE2 3.42Å; K2015-E2414 IonicContact NZ-OE2 3.25Å; K2015-E2414 PolarHBondContact NZ-OE2 2.65Å; K2015-N2415 PolarHBondContact NZ-OD1 3Å |
| 2016 | N | 31.3 | Very low | 31.4 | Very low | 71.6 Ų | 71.6 | 98.2 Ų | 98.2 | 38% | 0.383 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -52.1 | -17.4 | 167.1 | -86.1 | -3.3 | 0 | 0 | 0 | 113.1 | I2012 D2013 Q2014 E2018 D2019 L2020 H2060 | I2012-N2016 HydrophobicContact CG2-CB 3.89Å; I2012-N2016 WeakPolarHBondContact CG2-ND2 3.32Å; I2012-N2016 PolarHBondContact O-N 2.78Å; D2013-N2016 WeakPolarHBondContact O-CA 3.34Å; D2013-N2016 VanDerWaalsContact O-CB 3.26Å; D2013-N2016 WeakPolarHBondContact O-CB 3.45Å; D2013-N2016 PolarHBondContact O-N 3.03Å; Q2014-N2016 VanDerWaalsContact CA-N 3.26Å; Q2014-N2016 PolarHBondContact O-N 2.95Å; N2016-E2018 HydrophobicContact CB-CB 3.4Å; N2016-E2018 VanDerWaalsContact CG-CB 3.48Å; N2016-E2018 PolarHBondContact ND2-OE2 3.34Å; N2016-E2018 CarbonylContact O-C 3.42Å; N2016-E2018 PolarHBondContact O-N 2.78Å; N2016-E2018 VanDerWaalsContact O-N 3.11Å; N2016-D2019 HydrophobicContact CB-CB 3.96Å; N2016-D2019 WeakPolarHBondContact CB-OD2 3.42Å; N2016-D2019 PolarHBondContact ND2-OD2 3.05Å; N2016-D2019 PolarHBondContact O-N 3.44Å; N2016-D2019 VanDerWaalsContact O-N 3.07Å; N2016-L2020 WeakPolarHBondContact O-CA 3.48Å; N2016-L2020 VanDerWaalsContact O-CB 3.27Å; N2016-L2020 WeakPolarHBondContact O-CB 3.35Å; N2016-L2020 PolarHBondContact O-N 3.07Å; N2016-H2060 PolarHBondContact ND2-CE1 2.92Å; N2016-H2060 PolarHBondContact ND2-NE2 2.94Å |
| 2017 | L | 32.3 | Very low | 32.1 | Very low | 61.6 Ų | 61.6 | 95.8 Ų | 95.8 | 32% | 0.323 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -71.8 | -34 | 171.3 | -154.9 | 81.1 | 0 | 0 | 0 | 111.7 | Y1943 L2000 D2013 Q2014 K2015 L2020 N2021 Y2061 L2121 | Y1943-L2017 HydrophobicContact CD1-CD2 4.49Å; Y1943-L2017 HydrophobicContact CE1-CD2 3.78Å; L2000-L2017 HydrophobicContact CD1-CD2 4.34Å; D2013-L2017 VanDerWaalsContact O-CB 3.26Å; D2013-L2017 WeakPolarHBondContact O-CB 3.44Å; D2013-L2017 PolarHBondContact O-N 3.47Å; Q2014-L2017 WeakPolarHBondContact O-CB 3.46Å; Q2014-L2017 PolarHBondContact O-N 3.14Å; K2015-L2017 VanDerWaalsContact C-N 3.31Å; K2015-L2017 PolarHBondContact O-N 3.25Å; K2015-L2017 VanDerWaalsContact O-N 3.15Å; L2017-L2020 HydrophobicContact CD1-CD2 4.24Å; L2017-L2020 PolarHBondContact O-N 3.48Å; L2017-N2021 VanDerWaalsContact O-CB 3.25Å; L2017-N2021 WeakPolarHBondContact O-CB 3.31Å; L2017-N2021 VanDerWaalsContact O-CG 3.22Å; L2017-N2021 PolarHBondContact O-N 2.93Å; L2017-N2021 VanDerWaalsContact O-N 3.07Å; L2017-N2021 PolarHBondContact O-ND2 3.19Å; L2017-Y2061 HydrophobicContact CD1-CE2 3.69Å; L2017-Y2061 WeakPolarHBondContact CD1-OH 3.26Å; L2017-Y2061 VanDerWaalsContact CD2-OH 3.24Å; L2017-Y2061 WeakPolarHBondContact CD2-OH 3.39Å; L2017-L2121 HydrophobicContact CD1-CD2 3.63Å; L2017-L2121 HydrophobicContact CD1-CG 4.26Å; L2017-L2121 HydrophobicContact CD2-CD2 3.85Å; L2017-L2121 HydrophobicContact CG-CD2 4.36Å |
| 2018 | E | 34.4 | Very low | 32.8 | Very low | 111.6 Ų | 111.6 | 87.9 Ų | 87.9 | 52% | 0.521 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.9 | -52.8 | 167.3 | -86.5 | -176 | 155 | 0 | 0 | 111.8 | Q2014 K2015 N2016 L2020 N2021 R2022 S2124 H2126 F2127 N2156 | Q2014-E2018 PolarHBondContact O-N 3.15Å; Q2014-E2018 VanDerWaalsContact O-N 3.14Å; K2015-E2018 CarbonylContact O-C 3.54Å; K2015-E2018 WeakPolarHBondContact O-CA 3.18Å; K2015-E2018 WeakPolarHBondContact O-CB 3.38Å; K2015-E2018 PolarHBondContact O-N 3.34Å; N2016-E2018 HydrophobicContact CB-CB 3.4Å; N2016-E2018 VanDerWaalsContact CG-CB 3.48Å; N2016-E2018 PolarHBondContact ND2-OE2 3.34Å; N2016-E2018 CarbonylContact O-C 3.42Å; N2016-E2018 PolarHBondContact O-N 2.78Å; N2016-E2018 VanDerWaalsContact O-N 3.11Å; E2018-L2020 VanDerWaalsContact C-N 3.32Å; E2018-L2020 PolarHBondContact O-N 3.1Å; E2018-N2021 CarbonylContact O-C 3.5Å; E2018-N2021 WeakPolarHBondContact O-CA 3.35Å; E2018-N2021 PolarHBondContact O-N 3.1Å; E2018-R2022 VanDerWaalsContact O-CB 3.22Å; E2018-R2022 WeakPolarHBondContact O-CB 3.29Å; E2018-R2022 PolarHBondContact O-N 3.07Å; E2018-S2124 VanDerWaalsContact OE1-C 3.24Å; E2018-S2124 VanDerWaalsContact OE1-CB 3.22Å; E2018-S2124 WeakPolarHBondContact OE1-CB 3.16Å; E2018-S2124 PolarHBondContact OE1-OG 3.49Å; E2018-H2126 VanDerWaalsContact CD-CB 3.47Å; E2018-H2126 WeakPolarHBondContact OE1-CA 3.43Å; E2018-H2126 WeakPolarHBondContact OE1-CB 3.33Å; E2018-H2126 IonicContact OE1-CD2 3.97Å; E2018-H2126 PolarHBondContact OE1-CD2 2.9Å; E2018-H2126 VanDerWaalsContact OE1-CD2 3.3Å; E2018-H2126 IonicContact OE1-CG 2.65Å; E2018-H2126 PolarHBondContact OE1-N 3.44Å; E2018-H2126 WeakPolarHBondContact OE2-CB 3.37Å; E2018-H2126 IonicContact OE2-CD2 3.14Å; E2018-H2126 PolarHBondContact OE2-CD2 2.95Å; E2018-H2126 IonicContact OE2-CG 2.79Å; E2018-F2127 HydrophobicContact CB-CD2 3.98Å; E2018-F2127 HydrophobicContact CB-CE2 4.39Å; E2018-F2127 HydrophobicContact CG-CB 3.95Å; E2018-F2127 HydrophobicContact CG-CD2 3.37Å; E2018-F2127 HydrophobicContact CG-CE2 4.11Å; E2018-F2127 HydrophobicContact CG-CG 4.14Å; E2018-F2127 VanDerWaalsContact O-CE2 3.27Å; E2018-F2127 WeakPolarHBondContact O-CE2 3.27Å; E2018-F2127 PolarHBondContact OE1-N 3.09Å; E2018-F2127 VanDerWaalsContact OE1-N 3.1Å; E2018-N2156 PolarHBondContact OE1-ND2 3.49Å |
| 2019 | D | 37 | Very low | 33.6 | Very low | 69.6 Ų | 69.6 | 86.6 Ų | 86.6 | 37% | 0.372 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.4 | -30 | 178.5 | -75 | -41.5 | 0 | 0 | 0 | 112.8 | K2015 N2016 R2022 S2023 | K2015-D2019 HydrophobicContact CB-CB 4.3Å; K2015-D2019 WeakPolarHBondContact O-CB 3.43Å; K2015-D2019 PolarHBondContact O-N 3Å; K2015-D2019 VanDerWaalsContact O-N 3.07Å; N2016-D2019 HydrophobicContact CB-CB 3.96Å; N2016-D2019 WeakPolarHBondContact CB-OD2 3.42Å; N2016-D2019 PolarHBondContact ND2-OD2 3.05Å; N2016-D2019 PolarHBondContact O-N 3.44Å; N2016-D2019 VanDerWaalsContact O-N 3.07Å; D2019-R2022 PolarHBondContact O-N 3.33Å; D2019-R2022 WeakPolarHBondContact OD1-CD 3.46Å; D2019-R2022 IonicContact OD1-CZ 2.71Å; D2019-R2022 IonicContact OD1-NH1 3.27Å; D2019-R2022 PolarHBondContact OD1-NH1 3.11Å; D2019-S2023 WeakPolarHBondContact O-CA 3.5Å; D2019-S2023 VanDerWaalsContact O-CB 3.26Å; D2019-S2023 WeakPolarHBondContact O-CB 3.24Å; D2019-S2023 PolarHBondContact O-N 3.06Å; D2019-S2023 PolarHBondContact O-OG 3.2Å |
| 2020 | L | 36 | Very low | 34.4 | Very low | 34 Ų | 34 | 84.1 Ų | 84.1 | 18% | 0.178 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -70.2 | -50.1 | 171.1 | -176.4 | 72.9 | 0 | 0 | 0 | 111.5 | C1995 N2016 L2017 E2018 R2022 S2023 I2024 L2053 Q2056 R2057 L2059 | C1995-L2020 HydrophobicContact CB-CB 4.12Å; C1995-L2020 HydrophobicContact CB-CD1 3.54Å; C1995-L2020 HydrophobicContact CB-CG 4.35Å; N2016-L2020 WeakPolarHBondContact O-CA 3.48Å; N2016-L2020 VanDerWaalsContact O-CB 3.27Å; N2016-L2020 WeakPolarHBondContact O-CB 3.35Å; N2016-L2020 PolarHBondContact O-N 3.07Å; L2017-L2020 HydrophobicContact CD1-CD2 4.24Å; L2017-L2020 PolarHBondContact O-N 3.48Å; E2018-L2020 VanDerWaalsContact C-N 3.32Å; E2018-L2020 PolarHBondContact O-N 3.1Å; L2020-R2022 VanDerWaalsContact C-N 3.28Å; L2020-R2022 PolarHBondContact O-N 3.15Å; L2020-S2023 WeakPolarHBondContact O-CB 3.23Å; L2020-S2023 PolarHBondContact O-N 3.06Å; L2020-S2023 VanDerWaalsContact O-N 3.14Å; L2020-I2024 HydrophobicContact CD1-CD1 4.24Å; L2020-I2024 HydrophobicContact CD1-CG1 4.32Å; L2020-I2024 HydrophobicContact CD2-CD1 4.36Å; L2020-I2024 HydrophobicContact CG-CD1 4.04Å; L2020-I2024 HydrophobicContact CG-CG1 4.48Å; L2020-I2024 WeakPolarHBondContact O-CB 3.29Å; L2020-I2024 VanDerWaalsContact O-CD1 3.24Å; L2020-I2024 WeakPolarHBondContact O-CD1 3.23Å; L2020-I2024 WeakPolarHBondContact O-CG1 3.36Å; L2020-I2024 PolarHBondContact O-N 3Å; L2020-L2053 HydrophobicContact CD1-CD2 4.24Å; L2020-Q2056 HydrophobicContact CD1-CB 4.33Å; L2020-R2057 HydrophobicContact CD2-CB 3.85Å; L2020-R2057 HydrophobicContact CD2-CG 3.85Å; L2020-L2059 HydrophobicContact CD1-CD2 4.09Å; L2020-L2059 HydrophobicContact CD2-CD2 3.76Å; L2020-L2059 HydrophobicContact CG-CD2 4.15Å |
| 2021 | N | 37.2 | Very low | 35 | Very low | 63.2 Ų | 63.2 | 77.9 Ų | 77.9 | 34% | 0.338 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.7 | -37.9 | 174.9 | -85.1 | -43.9 | 0 | 0 | 0 | 111.3 | I1991 L2017 E2018 I2024 Y2025 R2057 F2127 | I1991-N2021 HydrophobicContact CD1-CB 3.84Å; I1991-N2021 HydrophobicContact CG1-CB 4.26Å; L2017-N2021 VanDerWaalsContact O-CB 3.25Å; L2017-N2021 WeakPolarHBondContact O-CB 3.31Å; L2017-N2021 VanDerWaalsContact O-CG 3.22Å; L2017-N2021 PolarHBondContact O-N 2.93Å; L2017-N2021 VanDerWaalsContact O-N 3.07Å; L2017-N2021 PolarHBondContact O-ND2 3.19Å; E2018-N2021 CarbonylContact O-C 3.5Å; E2018-N2021 WeakPolarHBondContact O-CA 3.35Å; E2018-N2021 PolarHBondContact O-N 3.1Å; N2021-I2024 PolarHBondContact O-N 3.18Å; N2021-Y2025 WeakPolarHBondContact O-CA 3.31Å; N2021-Y2025 VanDerWaalsContact O-CB 3.25Å; N2021-Y2025 WeakPolarHBondContact O-CB 3.33Å; N2021-Y2025 PolarHBondContact O-N 2.98Å; N2021-Y2025 VanDerWaalsContact O-N 3.08Å; N2021-R2057 PolarHBondContact OD1-NH2 3.04Å; N2021-F2127 HydrophobicContact CB-CD2 4.3Å; N2021-F2127 HydrophobicContact CB-CE2 4.01Å |
| 2022 | R | 41 | Very low | 35.6 | Very low | 133.4 Ų | 133.4 | 73.1 Ų | 73.1 | 50% | 0.503 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67 | -43.2 | 174.4 | -174.5 | -179.7 | 170 | -164.2 | -6.7 | 111.8 | E2018 D2019 L2020 I2024 Y2025 E2026 F2127 | E2018-R2022 VanDerWaalsContact O-CB 3.22Å; E2018-R2022 WeakPolarHBondContact O-CB 3.29Å; E2018-R2022 PolarHBondContact O-N 3.07Å; D2019-R2022 PolarHBondContact O-N 3.33Å; D2019-R2022 WeakPolarHBondContact OD1-CD 3.46Å; D2019-R2022 IonicContact OD1-CZ 2.71Å; D2019-R2022 IonicContact OD1-NH1 3.27Å; D2019-R2022 PolarHBondContact OD1-NH1 3.11Å; L2020-R2022 VanDerWaalsContact C-N 3.28Å; L2020-R2022 PolarHBondContact O-N 3.15Å; R2022-I2024 VanDerWaalsContact C-N 3.32Å; R2022-I2024 PolarHBondContact O-N 2.88Å; R2022-Y2025 CarbonylContact O-C 3.54Å; R2022-Y2025 PolarHBondContact O-N 3.08Å; R2022-E2026 HydrophobicContact CG-CG 4.29Å; R2022-E2026 IonicContact CZ-OE1 3.37Å; R2022-E2026 VanDerWaalsContact CZ-OE1 3.24Å; R2022-E2026 IonicContact CZ-OE2 3.77Å; R2022-E2026 IonicContact NE-OE1 3.33Å; R2022-E2026 PolarHBondContact NE-OE1 2.97Å; R2022-E2026 IonicContact NE-OE2 3.69Å; R2022-E2026 IonicContact NH2-OE1 3.22Å; R2022-E2026 PolarHBondContact NH2-OE1 3.02Å; R2022-E2026 IonicContact NH2-OE2 3.15Å; R2022-E2026 WeakPolarHBondContact O-CA 3.25Å; R2022-E2026 VanDerWaalsContact O-CB 3.23Å; R2022-E2026 WeakPolarHBondContact O-CB 3.42Å; R2022-E2026 VanDerWaalsContact O-CG 3.3Å; R2022-E2026 WeakPolarHBondContact O-CG 3.36Å; R2022-E2026 PolarHBondContact O-N 3.19Å; R2022-F2127 HydrophobicContact CB-CE2 3.85Å; R2022-F2127 HydrophobicContact CB-CZ 3.93Å; R2022-F2127 HydrophobicContact CG-CZ 4.31Å |
| 2023 | S | 39.1 | Very low | 36.3 | Very low | 48 Ų | 48 | 71.4 Ų | 71.4 | 34% | 0.336 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66 | -36.5 | 176.3 | -63 | 0 | 0 | 0 | 0 | 112 | C1995 D2019 L2020 Y2025 A2027 L2053 | C1995-S2023 PolarHBondContact SG-OG 3.13Å; D2019-S2023 WeakPolarHBondContact O-CA 3.5Å; D2019-S2023 VanDerWaalsContact O-CB 3.26Å; D2019-S2023 WeakPolarHBondContact O-CB 3.24Å; D2019-S2023 PolarHBondContact O-N 3.06Å; D2019-S2023 PolarHBondContact O-OG 3.2Å; L2020-S2023 WeakPolarHBondContact O-CB 3.23Å; L2020-S2023 PolarHBondContact O-N 3.06Å; L2020-S2023 VanDerWaalsContact O-N 3.14Å; S2023-Y2025 VanDerWaalsContact C-N 3.32Å; S2023-A2027 WeakPolarHBondContact O-CA 3.43Å; S2023-A2027 VanDerWaalsContact O-CB 3.28Å; S2023-A2027 WeakPolarHBondContact O-CB 3.41Å; S2023-A2027 PolarHBondContact O-N 3.06Å; S2023-L2053 WeakPolarHBondContact O-CD1 3.47Å |
| 2024 | I | 36.9 | Very low | 36.8 | Very low | 32.4 Ų | 32.4 | 73.6 Ų | 73.6 | 17% | 0.166 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 172.7 | -67.1 | 163.6 | 0 | 0 | 0 | 110.2 | F1986 Y1987 L2020 N2021 R2022 A2027 A2028 L2050 L2053 L2054 L2059 | F1986-I2024 HydrophobicContact CD2-CG1 4.11Å; F1986-I2024 HydrophobicContact CE2-CD1 3.64Å; F1986-I2024 HydrophobicContact CE2-CG1 3.66Å; F1986-I2024 HydrophobicContact CE2-CG2 4.34Å; F1986-I2024 HydrophobicContact CZ-CD1 4.47Å; Y1987-I2024 HydrophobicContact CD1-CG2 4.21Å; Y1987-I2024 HydrophobicContact CE1-CB 3.91Å; Y1987-I2024 HydrophobicContact CE1-CG2 3.47Å; Y1987-I2024 VanDerWaalsContact CE1-CG2 3.47Å; Y1987-I2024 HydrophobicContact CE2-CG2 4.41Å; Y1987-I2024 WeakPolarHBondContact OH-CD1 3.44Å; L2020-I2024 HydrophobicContact CD1-CD1 4.24Å; L2020-I2024 HydrophobicContact CD1-CG1 4.32Å; L2020-I2024 HydrophobicContact CD2-CD1 4.36Å; L2020-I2024 HydrophobicContact CG-CD1 4.04Å; L2020-I2024 HydrophobicContact CG-CG1 4.48Å; L2020-I2024 WeakPolarHBondContact O-CB 3.29Å; L2020-I2024 VanDerWaalsContact O-CD1 3.24Å; L2020-I2024 WeakPolarHBondContact O-CD1 3.23Å; L2020-I2024 WeakPolarHBondContact O-CG1 3.36Å; L2020-I2024 PolarHBondContact O-N 3Å; N2021-I2024 PolarHBondContact O-N 3.18Å; R2022-I2024 VanDerWaalsContact C-N 3.32Å; R2022-I2024 PolarHBondContact O-N 2.88Å; I2024-A2027 PolarHBondContact O-N 3.23Å; I2024-A2028 WeakPolarHBondContact O-CA 3.32Å; I2024-A2028 VanDerWaalsContact O-CB 3.28Å; I2024-A2028 WeakPolarHBondContact O-CB 3.4Å; I2024-A2028 PolarHBondContact O-N 3.05Å; I2024-L2050 HydrophobicContact CG2-CD1 3.93Å; I2024-L2053 HydrophobicContact CG1-CB 3.79Å; I2024-L2054 HydrophobicContact CD1-CD2 4.3Å; I2024-L2054 HydrophobicContact CG2-CD2 4.4Å; I2024-L2059 HydrophobicContact CD1-CD1 3.43Å; I2024-L2059 VanDerWaalsContact CD1-CD1 3.43Å; I2024-L2059 HydrophobicContact CD1-CD2 4.44Å; I2024-L2059 HydrophobicContact CG1-CD1 4Å |
| 2025 | Y | 38.9 | Very low | 37.1 | Very low | 119.8 Ų | 119.8 | 68.8 Ų | 68.8 | 47% | 0.47 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70.1 | -41.9 | 178.4 | -168.8 | -85.9 | 0 | 0 | 0 | 112.5 | K1940 T1984 H1988 N2021 R2022 S2023 A2028 S2029 W2134 | K1940-Y2025 HydrophobicContact CD-CD2 4.35Å; K1940-Y2025 HydrophobicContact CD-CE2 4.11Å; K1940-Y2025 HydrophobicContact CG-CD2 4.14Å; K1940-Y2025 HydrophobicContact CG-CE2 3.84Å; T1984-Y2025 HydrophobicContact CG2-CD2 3.78Å; T1984-Y2025 HydrophobicContact CG2-CE2 3.68Å; H1988-Y2025 HydrophobicContact CB-CD2 4.05Å; H1988-Y2025 HydrophobicContact CB-CE2 3.84Å; H1988-Y2025 AromaticContact CG-CE2 3.85Å; H1988-Y2025 AromaticContact ND1-CD2 3.72Å; H1988-Y2025 AromaticContact ND1-CE2 3.26Å; H1988-Y2025 VanDerWaalsContact ND1-CE2 3.26Å; H1988-Y2025 WeakPolarHBondContact ND1-CE2 3.43Å; H1988-Y2025 AromaticContact ND1-CZ 3.83Å; N2021-Y2025 WeakPolarHBondContact O-CA 3.31Å; N2021-Y2025 VanDerWaalsContact O-CB 3.25Å; N2021-Y2025 WeakPolarHBondContact O-CB 3.33Å; N2021-Y2025 PolarHBondContact O-N 2.98Å; N2021-Y2025 VanDerWaalsContact O-N 3.08Å; R2022-Y2025 CarbonylContact O-C 3.54Å; R2022-Y2025 PolarHBondContact O-N 3.08Å; S2023-Y2025 VanDerWaalsContact C-N 3.32Å; Y2025-A2028 CarbonylContact O-C 3.45Å; Y2025-A2028 PolarHBondContact O-N 3.07Å; Y2025-S2029 WeakPolarHBondContact O-CA 3.33Å; Y2025-S2029 VanDerWaalsContact O-CB 3.27Å; Y2025-S2029 WeakPolarHBondContact O-CB 3.29Å; Y2025-S2029 PolarHBondContact O-N 3.22Å; Y2025-W2134 VanDerWaalsContact OH-CE2 3.31Å; Y2025-W2134 PolarHBondContact OH-NE1 3.27Å |
| 2026 | E | 41.9 | Very low | 37.5 | Very low | 75.4 Ų | 75.4 | 66.7 Ų | 66.7 | 35% | 0.352 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.6 | -47.4 | 174.1 | -76.2 | 175.3 | 176.2 | 0 | 0 | 109.8 | R2022 A2028 S2029 D2030 | R2022-E2026 HydrophobicContact CG-CG 4.29Å; R2022-E2026 IonicContact CZ-OE1 3.37Å; R2022-E2026 VanDerWaalsContact CZ-OE1 3.24Å; R2022-E2026 IonicContact CZ-OE2 3.77Å; R2022-E2026 IonicContact NE-OE1 3.33Å; R2022-E2026 PolarHBondContact NE-OE1 2.97Å; R2022-E2026 IonicContact NE-OE2 3.69Å; R2022-E2026 IonicContact NH2-OE1 3.22Å; R2022-E2026 PolarHBondContact NH2-OE1 3.02Å; R2022-E2026 IonicContact NH2-OE2 3.15Å; R2022-E2026 WeakPolarHBondContact O-CA 3.25Å; R2022-E2026 VanDerWaalsContact O-CB 3.23Å; R2022-E2026 WeakPolarHBondContact O-CB 3.42Å; R2022-E2026 VanDerWaalsContact O-CG 3.3Å; R2022-E2026 WeakPolarHBondContact O-CG 3.36Å; R2022-E2026 PolarHBondContact O-N 3.19Å; E2026-A2028 VanDerWaalsContact C-N 3.33Å; E2026-A2028 PolarHBondContact O-N 3.11Å; E2026-S2029 CarbonylContact O-C 3.47Å; E2026-S2029 WeakPolarHBondContact O-CA 3.5Å; E2026-S2029 WeakPolarHBondContact O-CB 3.31Å; E2026-S2029 PolarHBondContact O-N 3.12Å; E2026-S2029 VanDerWaalsContact O-N 3.11Å; E2026-D2030 WeakPolarHBondContact O-CB 3.38Å; E2026-D2030 VanDerWaalsContact O-CG 3.26Å; E2026-D2030 PolarHBondContact O-N 3.3Å |
| 2027 | A | 38.1 | Very low | 37.7 | Very low | 31.6 Ų | 31.6 | 69.9 Ų | 69.9 | 26% | 0.261 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1990 S2023 I2024 C2031 L2049 L2050 L2053 | L1990-A2027 HydrophobicContact CD1-CB 4.05Å; S2023-A2027 WeakPolarHBondContact O-CA 3.43Å; S2023-A2027 VanDerWaalsContact O-CB 3.28Å; S2023-A2027 WeakPolarHBondContact O-CB 3.41Å; S2023-A2027 PolarHBondContact O-N 3.06Å; I2024-A2027 PolarHBondContact O-N 3.23Å; A2027-C2031 WeakPolarHBondContact O-CB 3.36Å; A2027-C2031 PolarHBondContact O-N 3.09Å; A2027-C2031 VanDerWaalsContact O-N 3.15Å; A2027-C2031 PolarHBondContact O-SG 3.04Å; A2027-L2049 HydrophobicContact CB-CD2 4.26Å; A2027-L2049 HydrophobicContact CB-CG 4.46Å; A2027-L2050 HydrophobicContact CB-CD1 4.45Å; A2027-L2053 HydrophobicContact CB-CD1 3.56Å |
| 2028 | A | 38.1 | Very low | 37.7 | Very low | 22.2 Ų | 22.2 | 72.4 Ų | 72.4 | 18% | 0.183 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -70.8 | -36.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I2024 Y2025 E2026 C2031 L2032 I2048 L2050 I2052 | I2024-A2028 WeakPolarHBondContact O-CA 3.32Å; I2024-A2028 VanDerWaalsContact O-CB 3.28Å; I2024-A2028 WeakPolarHBondContact O-CB 3.4Å; I2024-A2028 PolarHBondContact O-N 3.05Å; Y2025-A2028 CarbonylContact O-C 3.45Å; Y2025-A2028 PolarHBondContact O-N 3.07Å; E2026-A2028 VanDerWaalsContact C-N 3.33Å; E2026-A2028 PolarHBondContact O-N 3.11Å; A2028-C2031 WeakPolarHBondContact O-CB 3.38Å; A2028-C2031 PolarHBondContact O-N 3.05Å; A2028-L2032 VanDerWaalsContact O-CB 3.27Å; A2028-L2032 WeakPolarHBondContact O-CB 3.27Å; A2028-L2032 WeakPolarHBondContact O-CD1 3.34Å; A2028-L2032 VanDerWaalsContact O-CG 3.25Å; A2028-L2032 WeakPolarHBondContact O-CG 3.34Å; A2028-L2032 PolarHBondContact O-N 3.23Å; A2028-I2048 HydrophobicContact CB-CG2 4.49Å; A2028-L2050 HydrophobicContact CB-CD1 4.2Å; A2028-I2052 HydrophobicContact CB-CD1 4Å; A2028-I2052 HydrophobicContact CB-CG1 4.33Å |
| 2029 | S | 40.7 | Very low | 37.6 | Very low | 51.4 Ų | 51.4 | 75.4 Ų | 75.4 | 36% | 0.359 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -71.4 | -41.5 | 177.3 | -176.4 | 0 | 0 | 0 | 0 | 111.9 | Y2025 E2026 C2031 L2032 S2033 P2177 | Y2025-S2029 WeakPolarHBondContact O-CA 3.33Å; Y2025-S2029 VanDerWaalsContact O-CB 3.27Å; Y2025-S2029 WeakPolarHBondContact O-CB 3.29Å; Y2025-S2029 PolarHBondContact O-N 3.22Å; E2026-S2029 CarbonylContact O-C 3.47Å; E2026-S2029 WeakPolarHBondContact O-CA 3.5Å; E2026-S2029 WeakPolarHBondContact O-CB 3.31Å; E2026-S2029 PolarHBondContact O-N 3.12Å; E2026-S2029 VanDerWaalsContact O-N 3.11Å; S2029-C2031 VanDerWaalsContact C-N 3.32Å; S2029-C2031 PolarHBondContact O-N 3.12Å; S2029-L2032 CarbonylContact O-C 3.53Å; S2029-L2032 WeakPolarHBondContact O-CB 3.21Å; S2029-L2032 PolarHBondContact O-N 3.21Å; S2029-S2033 VanDerWaalsContact O-CB 3.3Å; S2029-S2033 WeakPolarHBondContact O-CB 3.26Å; S2029-S2033 PolarHBondContact O-N 3.17Å; S2029-P2177 WeakPolarHBondContact OG-CB 3.29Å; S2029-P2177 WeakPolarHBondContact OG-CG 3.45Å |
| 2030 | D | 40.9 | Very low | 37.4 | Very low | 87.4 Ų | 87.4 | 80.9 Ų | 80.9 | 47% | 0.467 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 173.9 | -74.3 | -12.2 | 0 | 0 | 0 | 110.6 | E2026 L2032 S2033 E2034 | E2026-D2030 WeakPolarHBondContact O-CB 3.38Å; E2026-D2030 VanDerWaalsContact O-CG 3.26Å; E2026-D2030 PolarHBondContact O-N 3.3Å; D2030-L2032 VanDerWaalsContact C-N 3.33Å; D2030-L2032 PolarHBondContact O-N 3.21Å; D2030-S2033 WeakPolarHBondContact O-CA 3.35Å; D2030-S2033 VanDerWaalsContact O-CB 3.29Å; D2030-S2033 WeakPolarHBondContact O-CB 3.29Å; D2030-S2033 PolarHBondContact O-N 3.11Å; D2030-S2033 VanDerWaalsContact O-N 3.12Å; D2030-S2033 PolarHBondContact O-OG 3.42Å; D2030-E2034 PolarHBondContact O-N 3.04Å |
| 2031 | C | 37.3 | Very low | 37.3 | Very low | 16.2 Ų | 16.2 | 83.2 Ų | 83.2 | 11% | 0.109 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 171.4 | -121.9 | 0 | 0 | 0 | 0 | 111.7 | F1986 A2027 A2028 S2029 S2033 E2034 L2035 I2048 | F1986-C2031 HydrophobicContact CD2-CB 3.98Å; F1986-C2031 HydrophobicContact CE2-CB 4.21Å; F1986-C2031 VanDerWaalsContact CE2-SG 3.57Å; A2027-C2031 WeakPolarHBondContact O-CB 3.36Å; A2027-C2031 PolarHBondContact O-N 3.09Å; A2027-C2031 VanDerWaalsContact O-N 3.15Å; A2027-C2031 PolarHBondContact O-SG 3.04Å; A2028-C2031 WeakPolarHBondContact O-CB 3.38Å; A2028-C2031 PolarHBondContact O-N 3.05Å; S2029-C2031 VanDerWaalsContact C-N 3.32Å; S2029-C2031 PolarHBondContact O-N 3.12Å; C2031-S2033 VanDerWaalsContact C-N 3.3Å; C2031-S2033 PolarHBondContact O-N 3.03Å; C2031-E2034 PolarHBondContact O-N 3.47Å; C2031-L2035 HydrophobicContact CB-CD1 4.12Å; C2031-L2035 WeakPolarHBondContact O-CA 3.17Å; C2031-L2035 VanDerWaalsContact O-CB 3.27Å; C2031-L2035 WeakPolarHBondContact O-CB 3.26Å; C2031-L2035 VanDerWaalsContact O-CD1 3.24Å; C2031-L2035 WeakPolarHBondContact O-CD1 3.37Å; C2031-L2035 VanDerWaalsContact O-CG 3.22Å; C2031-L2035 WeakPolarHBondContact O-CG 3.31Å; C2031-L2035 PolarHBondContact O-N 3.13Å; C2031-L2035 VanDerWaalsContact O-N 3.08Å; C2031-L2035 VanDerWaalsContact SG-CD1 3.59Å; C2031-I2048 HydrophobicContact CB-CD1 3.96Å; C2031-I2048 HydrophobicContact CB-CG2 4.17Å |
| 2032 | L | 37.9 | Very low | 37.2 | Very low | 85.2 Ų | 85.2 | 88.9 Ų | 88.9 | 45% | 0.446 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.6 | -34.7 | 175.7 | -133.8 | 132.2 | 0 | 0 | 0 | 112.1 | A1977 M1980 A2028 S2029 D2030 L2035 S2036 I2048 | A1977-L2032 HydrophobicContact CB-CD1 4.01Å; A1977-L2032 WeakPolarHBondContact O-CD1 3.38Å; M1980-L2032 HydrophobicContact CB-CD1 4.31Å; A2028-L2032 VanDerWaalsContact O-CB 3.27Å; A2028-L2032 WeakPolarHBondContact O-CB 3.27Å; A2028-L2032 WeakPolarHBondContact O-CD1 3.34Å; A2028-L2032 VanDerWaalsContact O-CG 3.25Å; A2028-L2032 WeakPolarHBondContact O-CG 3.34Å; A2028-L2032 PolarHBondContact O-N 3.23Å; S2029-L2032 CarbonylContact O-C 3.53Å; S2029-L2032 WeakPolarHBondContact O-CB 3.21Å; S2029-L2032 PolarHBondContact O-N 3.21Å; D2030-L2032 VanDerWaalsContact C-N 3.33Å; D2030-L2032 PolarHBondContact O-N 3.21Å; L2032-L2035 PolarHBondContact O-N 3.22Å; L2032-S2036 VanDerWaalsContact O-CB 3.3Å; L2032-S2036 WeakPolarHBondContact O-CB 3.32Å; L2032-S2036 PolarHBondContact O-N 3.26Å; L2032-S2036 PolarHBondContact O-OG 3.3Å; L2032-I2048 HydrophobicContact CB-CD1 4.29Å; L2032-I2048 HydrophobicContact CD1-CD1 4.15Å; L2032-I2048 HydrophobicContact CD2-CD1 4.26Å |
| 2033 | S | 39.7 | Very low | 37 | Very low | 66.8 Ų | 66.8 | 85.7 Ų | 85.7 | 47% | 0.467 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.4 | -55.3 | 175.9 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | S2029 D2030 C2031 L2035 S2036 E2037 | S2029-S2033 VanDerWaalsContact O-CB 3.3Å; S2029-S2033 WeakPolarHBondContact O-CB 3.26Å; S2029-S2033 PolarHBondContact O-N 3.17Å; D2030-S2033 WeakPolarHBondContact O-CA 3.35Å; D2030-S2033 VanDerWaalsContact O-CB 3.29Å; D2030-S2033 WeakPolarHBondContact O-CB 3.29Å; D2030-S2033 PolarHBondContact O-N 3.11Å; D2030-S2033 VanDerWaalsContact O-N 3.12Å; D2030-S2033 PolarHBondContact O-OG 3.42Å; C2031-S2033 VanDerWaalsContact C-N 3.3Å; C2031-S2033 PolarHBondContact O-N 3.03Å; S2033-L2035 VanDerWaalsContact C-N 3.3Å; S2033-L2035 PolarHBondContact O-N 3.18Å; S2033-S2036 WeakPolarHBondContact O-CA 3.4Å; S2033-S2036 WeakPolarHBondContact O-CB 3.34Å; S2033-S2036 PolarHBondContact O-N 3.01Å; S2033-S2036 VanDerWaalsContact O-N 3.11Å; S2033-S2036 PolarHBondContact O-OG 3Å; S2033-E2037 PolarHBondContact O-N 3.2Å; S2033-E2037 VanDerWaalsContact O-N 3.13Å |
| 2034 | E | 37.2 | Very low | 36.9 | Very low | 106.8 Ų | 106.8 | 84.6 Ų | 84.6 | 50% | 0.499 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.4 | -36.7 | 178.5 | -72.7 | -163.7 | 153 | 0 | 0 | 112.4 | D2030 C2031 S2036 E2037 Y2038 R2042 F2043 | D2030-E2034 PolarHBondContact O-N 3.04Å; C2031-E2034 PolarHBondContact O-N 3.47Å; E2034-S2036 VanDerWaalsContact C-N 3.3Å; E2034-S2036 PolarHBondContact O-N 3.09Å; E2034-E2037 WeakPolarHBondContact O-CA 3.29Å; E2034-E2037 WeakPolarHBondContact O-CB 3.13Å; E2034-E2037 PolarHBondContact O-N 3.17Å; E2034-E2037 VanDerWaalsContact O-N 3.15Å; E2034-Y2038 HydrophobicContact CB-CE2 4.44Å; E2034-Y2038 WeakPolarHBondContact O-CD2 3.33Å; E2034-Y2038 WeakPolarHBondContact O-CE2 3.32Å; E2034-Y2038 PolarHBondContact O-N 3.1Å; E2034-Y2038 VanDerWaalsContact O-N 3.11Å; E2034-R2042 VanDerWaalsContact CD-CB 3.42Å; E2034-R2042 WeakPolarHBondContact OE1-CB 3.02Å; E2034-R2042 WeakPolarHBondContact OE1-CD 3.47Å; E2034-R2042 IonicContact OE1-NH1 3.82Å; E2034-R2042 WeakPolarHBondContact OE2-CB 3.48Å; E2034-F2043 HydrophobicContact CB-CB 4.45Å; E2034-F2043 WeakPolarHBondContact OE2-CA 3.23Å; E2034-F2043 PolarHBondContact OE2-N 2.81Å |
| 2035 | L | 35.1 | Very low | 36.9 | Very low | 33.4 Ų | 33.4 | 87.5 Ų | 87.5 | 18% | 0.175 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -66.7 | -28.1 | 175 | -73.4 | 170.6 | 0 | 0 | 0 | 112.6 | E1975 I1976 A1977 M1980 K1982 C2031 L2032 S2033 E2037 Y2038 I2044 I2048 | E1975-L2035 HydrophobicContact CB-CD2 4.46Å; I1976-L2035 HydrophobicContact CG2-CD1 3.96Å; I1976-L2035 HydrophobicContact CG2-CD2 4.44Å; A1977-L2035 HydrophobicContact CB-CB 4.47Å; M1980-L2035 HydrophobicContact CG-CD1 4.28Å; K1982-L2035 HydrophobicContact CD-CD2 4.24Å; C2031-L2035 HydrophobicContact CB-CD1 4.12Å; C2031-L2035 WeakPolarHBondContact O-CA 3.17Å; C2031-L2035 VanDerWaalsContact O-CB 3.27Å; C2031-L2035 WeakPolarHBondContact O-CB 3.26Å; C2031-L2035 VanDerWaalsContact O-CD1 3.24Å; C2031-L2035 WeakPolarHBondContact O-CD1 3.37Å; C2031-L2035 VanDerWaalsContact O-CG 3.22Å; C2031-L2035 WeakPolarHBondContact O-CG 3.31Å; C2031-L2035 PolarHBondContact O-N 3.13Å; C2031-L2035 VanDerWaalsContact O-N 3.08Å; C2031-L2035 VanDerWaalsContact SG-CD1 3.59Å; L2032-L2035 PolarHBondContact O-N 3.22Å; S2033-L2035 VanDerWaalsContact C-N 3.3Å; S2033-L2035 PolarHBondContact O-N 3.18Å; L2035-E2037 VanDerWaalsContact C-N 3.3Å; L2035-E2037 PolarHBondContact O-N 3.02Å; L2035-Y2038 HydrophobicContact CD2-CD2 3.92Å; L2035-Y2038 HydrophobicContact CD2-CE2 4.37Å; L2035-Y2038 CarbonylContact O-C 3.42Å; L2035-Y2038 WeakPolarHBondContact O-CD2 3.42Å; L2035-Y2038 PolarHBondContact O-N 3.25Å; L2035-I2044 HydrophobicContact CB-CD1 3.98Å; L2035-I2044 HydrophobicContact CB-CG1 4.33Å; L2035-I2044 HydrophobicContact CB-CG2 4.04Å; L2035-I2044 HydrophobicContact CD1-CG1 4.38Å; L2035-I2044 HydrophobicContact CD1-CG2 4.07Å; L2035-I2044 HydrophobicContact CD2-CB 3.59Å; L2035-I2044 HydrophobicContact CD2-CD1 4.02Å; L2035-I2044 HydrophobicContact CD2-CG1 4.29Å; L2035-I2044 HydrophobicContact CD2-CG2 3.59Å; L2035-I2044 HydrophobicContact CG-CG2 4.5Å; L2035-I2048 HydrophobicContact CD1-CB 4.06Å; L2035-I2048 HydrophobicContact CD1-CD1 3.83Å; L2035-I2048 HydrophobicContact CD1-CG1 3.94Å; L2035-I2048 VanDerWaalsContact CD1-CG1 3.5Å; L2035-I2048 HydrophobicContact CD1-CG2 4.1Å; L2035-I2048 HydrophobicContact CD2-CD1 4.26Å; L2035-I2048 HydrophobicContact CG-CD1 4.01Å |
| 2036 | S | 36 | Very low | 36.9 | Very low | 80 Ų | 80 | 83.2 Ų | 83.2 | 56% | 0.559 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -69.8 | -22 | 176.6 | 77.6 | 0 | 0 | 0 | 0 | 113.7 | L2032 S2033 E2034 Y2038 K2039 | L2032-S2036 VanDerWaalsContact O-CB 3.3Å; L2032-S2036 WeakPolarHBondContact O-CB 3.32Å; L2032-S2036 PolarHBondContact O-N 3.26Å; L2032-S2036 PolarHBondContact O-OG 3.3Å; S2033-S2036 WeakPolarHBondContact O-CA 3.4Å; S2033-S2036 WeakPolarHBondContact O-CB 3.34Å; S2033-S2036 PolarHBondContact O-N 3.01Å; S2033-S2036 VanDerWaalsContact O-N 3.11Å; S2033-S2036 PolarHBondContact O-OG 3Å; E2034-S2036 VanDerWaalsContact C-N 3.3Å; E2034-S2036 PolarHBondContact O-N 3.09Å; S2036-Y2038 VanDerWaalsContact C-N 3.26Å; S2036-Y2038 WeakPolarHBondContact O-CD2 3.41Å; S2036-Y2038 PolarHBondContact O-N 3.05Å; S2036-K2039 WeakPolarHBondContact O-CG 3.4Å |
| 2037 | E | 35 | Very low | 36.9 | Very low | 138.6 Ų | 138.6 | 81 Ų | 81 | 65% | 0.648 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -26.7 | 175 | -68.8 | -151.1 | 132.8 | 0 | 0 | 113.5 | S2033 E2034 L2035 K2039 | S2033-E2037 PolarHBondContact O-N 3.2Å; S2033-E2037 VanDerWaalsContact O-N 3.13Å; E2034-E2037 WeakPolarHBondContact O-CA 3.29Å; E2034-E2037 WeakPolarHBondContact O-CB 3.13Å; E2034-E2037 PolarHBondContact O-N 3.17Å; E2034-E2037 VanDerWaalsContact O-N 3.15Å; L2035-E2037 VanDerWaalsContact C-N 3.3Å; L2035-E2037 PolarHBondContact O-N 3.02Å; E2037-K2039 WeakPolarHBondContact O-CG 3.29Å; E2037-K2039 PolarHBondContact O-N 2.92Å; E2037-K2039 VanDerWaalsContact O-N 3.11Å; E2037-K2039 IonicContact OE1-NZ 3.86Å; E2037-K2039 PolarHBondContact OE1-NZ 3.42Å; E2037-K2039 WeakPolarHBondContact OE2-CD 3.49Å; E2037-K2039 WeakPolarHBondContact OE2-CE 3.2Å; E2037-K2039 IonicContact OE2-NZ 3.32Å; E2037-K2039 PolarHBondContact OE2-NZ 3.24Å |
| 2038 | Y | 33.6 | Very low | 37 | Very low | 112.6 Ų | 112.6 | 81.5 Ų | 81.5 | 44% | 0.442 | 41% | 0.405 | S | S | . | . | trans | -82.6 | 62.9 | -175.2 | -64.4 | -78.7 | 0 | 0 | 0 | 115 | N1972 P1973 Y1974 E1975 K1982 E2034 L2035 S2036 K2040 M2041 | N1972-Y2038 VanDerWaalsContact CB-C 3.47Å; N1972-Y2038 VanDerWaalsContact CB-O 3.23Å; N1972-Y2038 WeakPolarHBondContact CB-O 3.21Å; N1972-Y2038 PolarHBondContact N-O 3.09Å; N1972-Y2038 PolarHBondContact OD1-OH 3.32Å; P1973-Y2038 HydrophobicContact CB-CE1 4.37Å; P1973-Y2038 HydrophobicContact CG-CD1 4.25Å; P1973-Y2038 HydrophobicContact CG-CE1 3.53Å; Y1974-Y2038 PolarHBondContact N-OH 3.16Å; E1975-Y2038 WeakPolarHBondContact OE1-CD2 3.43Å; K1982-Y2038 VanDerWaalsContact NZ-CZ 3.29Å; K1982-Y2038 PolarHBondContact NZ-OH 3Å; E2034-Y2038 HydrophobicContact CB-CE2 4.44Å; E2034-Y2038 WeakPolarHBondContact O-CD2 3.33Å; E2034-Y2038 WeakPolarHBondContact O-CE2 3.32Å; E2034-Y2038 PolarHBondContact O-N 3.1Å; E2034-Y2038 VanDerWaalsContact O-N 3.11Å; L2035-Y2038 HydrophobicContact CD2-CD2 3.92Å; L2035-Y2038 HydrophobicContact CD2-CE2 4.37Å; L2035-Y2038 CarbonylContact O-C 3.42Å; L2035-Y2038 WeakPolarHBondContact O-CD2 3.42Å; L2035-Y2038 PolarHBondContact O-N 3.25Å; S2036-Y2038 VanDerWaalsContact C-N 3.26Å; S2036-Y2038 WeakPolarHBondContact O-CD2 3.41Å; S2036-Y2038 PolarHBondContact O-N 3.05Å; Y2038-K2040 PolarHBondContact O-N 3.09Å; Y2038-M2041 HydrophobicContact CD1-SD 4.15Å; Y2038-M2041 HydrophobicContact CG-SD 4.44Å; Y2038-M2041 PolarHBondContact O-N 3.4Å | ||
| 2039 | K | 31.4 | Very low | 37.1 | Very low | 175.6 Ų | 175.6 | 84 Ų | 84 | 76% | 0.763 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 35.4 | -176.7 | -70.2 | 175.5 | -176.8 | 166.4 | 0 | 117 | S1970 N1972 S2036 E2037 | S1970-K2039 WeakPolarHBondContact O-CA 3.27Å; S1970-K2039 WeakPolarHBondContact O-CG 3.15Å; N1972-K2039 VanDerWaalsContact CA-C 3.46Å; N1972-K2039 WeakPolarHBondContact CB-O 3.46Å; N1972-K2039 PolarHBondContact ND2-O 3.49Å; S2036-K2039 WeakPolarHBondContact O-CG 3.4Å; E2037-K2039 WeakPolarHBondContact O-CG 3.29Å; E2037-K2039 PolarHBondContact O-N 2.92Å; E2037-K2039 VanDerWaalsContact O-N 3.11Å; E2037-K2039 IonicContact OE1-NZ 3.86Å; E2037-K2039 PolarHBondContact OE1-NZ 3.42Å; E2037-K2039 WeakPolarHBondContact OE2-CD 3.49Å; E2037-K2039 WeakPolarHBondContact OE2-CE 3.2Å; E2037-K2039 IonicContact OE2-NZ 3.32Å; E2037-K2039 PolarHBondContact OE2-NZ 3.24Å |
| 2040 | K | 33.5 | Very low | 37.2 | Very low | 185 Ų | 185 | 83.2 Ų | 83.2 | 80% | 0.804 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.1 | 25.9 | 172.4 | -69.1 | -174.9 | 175.5 | -178.9 | 0 | 118 | L1971 N1972 P1973 Y2038 R2042 | L1971-K2040 CarbonylContact O-C 3.59Å; L1971-K2040 WeakPolarHBondContact O-CA 3.43Å; L1971-K2040 PolarHBondContact O-N 3.42Å; N1972-K2040 PolarHBondContact OD1-O 3.47Å; P1973-K2040 WeakPolarHBondContact CD-O 3.1Å; Y2038-K2040 PolarHBondContact O-N 3.09Å; K2040-R2042 PolarHBondContact O-N 3.02Å |
| 2041 | M | 33.4 | Very low | 37.1 | Very low | 82.8 Ų | 82.8 | 79.5 Ų | 79.5 | 41% | 0.408 | 39% | 0.389 | S | S | . | . | trans | -49.4 | 85.6 | 170.6 | -96.9 | -175 | 177.8 | 0 | 0 | 117.3 | L1971 P1973 T1979 Y2038 F2043 I2044 I2087 | L1971-M2041 PolarHBondContact O-N 3.46Å; P1973-M2041 VanDerWaalsContact CD-CA 3.44Å; P1973-M2041 WeakPolarHBondContact CD-O 3.44Å; P1973-M2041 VanDerWaalsContact CG-CA 3.42Å; P1973-M2041 WeakPolarHBondContact CG-O 3.29Å; T1979-M2041 WeakPolarHBondContact OG1-CE 3.28Å; T1979-M2041 PolarHBondContact OG1-SD 3.23Å; T1979-M2041 VanDerWaalsContact OG1-SD 3.38Å; Y2038-M2041 HydrophobicContact CD1-SD 4.15Å; Y2038-M2041 HydrophobicContact CG-SD 4.44Å; Y2038-M2041 PolarHBondContact O-N 3.4Å; M2041-F2043 VanDerWaalsContact C-N 3.34Å; M2041-F2043 PolarHBondContact O-N 2.94Å; M2041-I2044 HydrophobicContact CB-CD1 3.62Å; M2041-I2044 HydrophobicContact CB-CG1 3.8Å; M2041-I2044 HydrophobicContact CG-CD1 4.23Å; M2041-I2044 PolarHBondContact O-N 2.91Å; M2041-I2044 HydrophobicContact SD-CD1 4.05Å; M2041-I2044 VanDerWaalsContact SD-CD1 3.58Å; M2041-I2044 HydrophobicContact SD-CG1 4.38Å; M2041-I2087 HydrophobicContact CE-CD1 3.36Å; M2041-I2087 HydrophobicContact CE-CG1 4.35Å | ||
| 2042 | R | 34.5 | Very low | 37.2 | Very low | 182.4 Ų | 182.4 | 81.2 Ų | 81.2 | 69% | 0.688 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -21.3 | 176.8 | -80.1 | -177 | 172 | 171.8 | -1.8 | 115.9 | P1973 E2034 K2040 I2044 N2045 | P1973-R2042 WeakPolarHBondContact CB-O 3.36Å; P1973-R2042 WeakPolarHBondContact CG-O 3.31Å; E2034-R2042 VanDerWaalsContact CD-CB 3.42Å; E2034-R2042 WeakPolarHBondContact OE1-CB 3.02Å; E2034-R2042 WeakPolarHBondContact OE1-CD 3.47Å; E2034-R2042 IonicContact OE1-NH1 3.82Å; E2034-R2042 WeakPolarHBondContact OE2-CB 3.48Å; K2040-R2042 PolarHBondContact O-N 3.02Å; R2042-I2044 PolarHBondContact O-N 3.45Å; R2042-N2045 WeakPolarHBondContact O-CB 3.44Å; R2042-N2045 PolarHBondContact O-N 2.78Å; R2042-N2045 PolarHBondContact O-ND2 3.36Å |
| 2043 | F | 38.3 | Very low | 37.3 | Very low | 65.2 Ų | 65.2 | 79.4 Ų | 79.4 | 29% | 0.286 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -5.8 | -171.8 | -61.3 | -84.6 | 0 | 0 | 0 | 114.1 | F1964 F1968 L1971 E2034 M2041 N2045 S2046 L2047 | F1964-F2043 HydrophobicContact CE1-CD1 4.25Å; F1964-F2043 HydrophobicContact CE1-CD2 4.13Å; F1964-F2043 AromaticContact CE1-CE1 3.44Å; F1964-F2043 HydrophobicContact CE1-CE1 3.44Å; F1964-F2043 VanDerWaalsContact CE1-CE1 3.44Å; F1964-F2043 HydrophobicContact CE1-CE2 4.43Å; F1964-F2043 HydrophobicContact CE1-CZ 4.12Å; F1964-F2043 HydrophobicContact CZ-CD1 4.28Å; F1964-F2043 AromaticContact CZ-CE1 3.58Å; F1964-F2043 HydrophobicContact CZ-CE1 3.58Å; F1968-F2043 HydrophobicContact CE1-CZ 4.29Å; F1968-F2043 HydrophobicContact CE2-CE2 4.35Å; F1968-F2043 HydrophobicContact CE2-CZ 4.01Å; F1968-F2043 AromaticContact CZ-CE2 3.92Å; F1968-F2043 HydrophobicContact CZ-CE2 4.07Å; F1968-F2043 AromaticContact CZ-CZ 3.83Å; F1968-F2043 HydrophobicContact CZ-CZ 4.03Å; L1971-F2043 HydrophobicContact CD1-CE2 4.28Å; E2034-F2043 HydrophobicContact CB-CB 4.45Å; E2034-F2043 WeakPolarHBondContact OE2-CA 3.23Å; E2034-F2043 PolarHBondContact OE2-N 2.81Å; M2041-F2043 VanDerWaalsContact C-N 3.34Å; M2041-F2043 PolarHBondContact O-N 2.94Å; F2043-N2045 VanDerWaalsContact C-N 3.29Å; F2043-N2045 PolarHBondContact O-N 3.16Å; F2043-S2046 WeakPolarHBondContact O-CB 3.42Å; F2043-S2046 PolarHBondContact O-N 2.96Å; F2043-S2046 VanDerWaalsContact O-N 3.08Å; F2043-L2047 HydrophobicContact CB-CD1 3.78Å; F2043-L2047 HydrophobicContact CB-CG 4.19Å; F2043-L2047 HydrophobicContact CD2-CD1 3.94Å; F2043-L2047 HydrophobicContact CE2-CD1 4.14Å; F2043-L2047 WeakPolarHBondContact O-CG 3.34Å; F2043-L2047 PolarHBondContact O-N 3.11Å; F2043-L2047 VanDerWaalsContact O-N 3.11Å |
| 2044 | I | 37.2 | Very low | 37.3 | Very low | 26.4 Ų | 26.4 | 77.8 Ų | 77.8 | 14% | 0.135 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -56.1 | -39.8 | 176.9 | -67.6 | 168.9 | 0 | 0 | 0 | 113 | T1979 L2035 M2041 R2042 S2046 L2047 I2048 F2081 F2085 | T1979-I2044 HydrophobicContact CG2-CD1 4.28Å; T1979-I2044 HydrophobicContact CG2-CG1 4.35Å; L2035-I2044 HydrophobicContact CB-CD1 3.98Å; L2035-I2044 HydrophobicContact CB-CG1 4.33Å; L2035-I2044 HydrophobicContact CB-CG2 4.04Å; L2035-I2044 HydrophobicContact CD1-CG1 4.38Å; L2035-I2044 HydrophobicContact CD1-CG2 4.07Å; L2035-I2044 HydrophobicContact CD2-CB 3.59Å; L2035-I2044 HydrophobicContact CD2-CD1 4.02Å; L2035-I2044 HydrophobicContact CD2-CG1 4.29Å; L2035-I2044 HydrophobicContact CD2-CG2 3.59Å; L2035-I2044 HydrophobicContact CG-CG2 4.5Å; M2041-I2044 HydrophobicContact CB-CD1 3.62Å; M2041-I2044 HydrophobicContact CB-CG1 3.8Å; M2041-I2044 HydrophobicContact CG-CD1 4.23Å; M2041-I2044 PolarHBondContact O-N 2.91Å; M2041-I2044 HydrophobicContact SD-CD1 4.05Å; M2041-I2044 VanDerWaalsContact SD-CD1 3.58Å; M2041-I2044 HydrophobicContact SD-CG1 4.38Å; R2042-I2044 PolarHBondContact O-N 3.45Å; I2044-S2046 VanDerWaalsContact C-N 3.3Å; I2044-S2046 PolarHBondContact O-N 3.19Å; I2044-S2046 VanDerWaalsContact O-N 3.1Å; I2044-L2047 HydrophobicContact CG2-CB 4.33Å; I2044-L2047 PolarHBondContact O-N 3.35Å; I2044-L2047 VanDerWaalsContact O-N 3.12Å; I2044-I2048 HydrophobicContact CG2-CD1 3.8Å; I2044-I2048 HydrophobicContact CG2-CG1 4.25Å; I2044-I2048 WeakPolarHBondContact O-CB 3.34Å; I2044-I2048 WeakPolarHBondContact O-CD1 3.47Å; I2044-I2048 VanDerWaalsContact O-CG1 3.27Å; I2044-I2048 WeakPolarHBondContact O-CG1 3.34Å; I2044-I2048 PolarHBondContact O-N 3.05Å; I2044-F2081 HydrophobicContact CB-CE1 4.21Å; I2044-F2081 HydrophobicContact CB-CZ 4.5Å; I2044-F2081 HydrophobicContact CG1-CE1 4.08Å; I2044-F2081 HydrophobicContact CG2-CD1 4.13Å; I2044-F2081 HydrophobicContact CG2-CE1 3.67Å; I2044-F2081 HydrophobicContact CG2-CZ 4.04Å; I2044-F2085 HydrophobicContact CD1-CE1 4.48Å; I2044-F2085 HydrophobicContact CD1-CE2 3.76Å; I2044-F2085 HydrophobicContact CD1-CZ 4.05Å |
| 2045 | N | 36.6 | Very low | 37.4 | Very low | 92.6 Ų | 92.6 | 73.9 Ų | 73.9 | 50% | 0.495 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.3 | -36.7 | 177.4 | -68.2 | -11 | 0 | 0 | 0 | 112 | R2042 F2043 L2047 I2048 L2049 L2089 L2093 | R2042-N2045 WeakPolarHBondContact O-CB 3.44Å; R2042-N2045 PolarHBondContact O-N 2.78Å; R2042-N2045 PolarHBondContact O-ND2 3.36Å; F2043-N2045 VanDerWaalsContact C-N 3.29Å; F2043-N2045 PolarHBondContact O-N 3.16Å; N2045-L2047 PolarHBondContact O-N 3.28Å; N2045-I2048 PolarHBondContact O-N 3.39Å; N2045-L2049 VanDerWaalsContact O-CB 3.28Å; N2045-L2049 WeakPolarHBondContact O-CB 3.31Å; N2045-L2049 PolarHBondContact O-N 3.14Å; N2045-L2089 HydrophobicContact CB-CD2 3.44Å; N2045-L2089 VanDerWaalsContact CB-CD2 3.44Å; N2045-L2093 HydrophobicContact CB-CD1 4.47Å |
| 2046 | S | 39 | Very low | 37.3 | Very low | 29.4 Ų | 29.4 | 77 Ų | 77 | 21% | 0.206 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.7 | -35.3 | 177.2 | -46.5 | 0 | 0 | 0 | 0 | 112.5 | M1980 F2043 I2044 L2049 L2050 L2080 N2084 | M1980-S2046 VanDerWaalsContact CE-CB 3.47Å; M1980-S2046 WeakPolarHBondContact SD-CB 3.39Å; M1980-S2046 PolarHBondContact SD-OG 3.43Å; F2043-S2046 WeakPolarHBondContact O-CB 3.42Å; F2043-S2046 PolarHBondContact O-N 2.96Å; F2043-S2046 VanDerWaalsContact O-N 3.08Å; I2044-S2046 VanDerWaalsContact C-N 3.3Å; I2044-S2046 PolarHBondContact O-N 3.19Å; I2044-S2046 VanDerWaalsContact O-N 3.1Å; S2046-L2049 PolarHBondContact O-N 3.14Å; S2046-L2050 VanDerWaalsContact O-CB 3.28Å; S2046-L2050 WeakPolarHBondContact O-CB 3.29Å; S2046-L2050 PolarHBondContact O-N 2.91Å; S2046-L2080 WeakPolarHBondContact OG-CD2 3.06Å; S2046-N2084 PolarHBondContact OG-ND2 3.24Å |
| 2047 | L | 41.4 | Very low | 37.3 | Very low | 30 Ų | 30 | 76.6 Ų | 76.6 | 16% | 0.157 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -72.8 | -37.7 | 176.1 | -79 | 164.6 | 0 | 0 | 0 | 112.4 | L1960 F1964 T1979 M1980 F1983 F2043 I2044 N2045 L2049 L2050 G2051 F2081 | L1960-L2047 HydrophobicContact CD1-CD2 3.93Å; L1960-L2047 HydrophobicContact CD2-CD2 4.41Å; F1964-L2047 HydrophobicContact CZ-CD1 4.29Å; T1979-L2047 HydrophobicContact CG2-CD1 3.87Å; T1979-L2047 VanDerWaalsContact CG2-CD1 3.42Å; M1980-L2047 HydrophobicContact CE-CD2 3.99Å; F1983-L2047 HydrophobicContact CD2-CB 4.24Å; F1983-L2047 HydrophobicContact CD2-CD2 4.26Å; F1983-L2047 HydrophobicContact CE2-CD2 4.09Å; F1983-L2047 VanDerWaalsContact CE2-O 3.26Å; F1983-L2047 WeakPolarHBondContact CE2-O 3.49Å; F2043-L2047 HydrophobicContact CB-CD1 3.78Å; F2043-L2047 HydrophobicContact CB-CG 4.19Å; F2043-L2047 HydrophobicContact CD2-CD1 3.94Å; F2043-L2047 HydrophobicContact CE2-CD1 4.14Å; F2043-L2047 WeakPolarHBondContact O-CG 3.34Å; F2043-L2047 PolarHBondContact O-N 3.11Å; F2043-L2047 VanDerWaalsContact O-N 3.11Å; I2044-L2047 HydrophobicContact CG2-CB 4.33Å; I2044-L2047 PolarHBondContact O-N 3.35Å; I2044-L2047 VanDerWaalsContact O-N 3.12Å; N2045-L2047 PolarHBondContact O-N 3.28Å; L2047-L2049 VanDerWaalsContact C-N 3.35Å; L2047-L2050 PolarHBondContact O-N 2.82Å; L2047-G2051 PolarHBondContact O-N 3.16Å; L2047-F2081 HydrophobicContact CB-CE2 3.97Å; L2047-F2081 HydrophobicContact CB-CZ 3.69Å; L2047-F2081 HydrophobicContact CD1-CZ 3.94Å; L2047-F2081 HydrophobicContact CG-CZ 4.47Å |
| 2048 | I | 39.6 | Very low | 37.2 | Very low | 41 Ų | 41 | 75.4 Ų | 75.4 | 21% | 0.21 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 172.3 | -70.4 | 170.2 | 0 | 0 | 0 | 109.9 | F1986 A2028 C2031 L2032 L2035 I2044 N2045 L2050 G2051 I2052 F2081 | F1986-I2048 HydrophobicContact CE1-CG1 4.49Å; F1986-I2048 HydrophobicContact CE2-CG1 4.41Å; F1986-I2048 HydrophobicContact CZ-CG1 4.3Å; F1986-I2048 HydrophobicContact CZ-CG2 4.25Å; A2028-I2048 HydrophobicContact CB-CG2 4.49Å; C2031-I2048 HydrophobicContact CB-CD1 3.96Å; C2031-I2048 HydrophobicContact CB-CG2 4.17Å; L2032-I2048 HydrophobicContact CB-CD1 4.29Å; L2032-I2048 HydrophobicContact CD1-CD1 4.15Å; L2032-I2048 HydrophobicContact CD2-CD1 4.26Å; L2035-I2048 HydrophobicContact CD1-CB 4.06Å; L2035-I2048 HydrophobicContact CD1-CD1 3.83Å; L2035-I2048 HydrophobicContact CD1-CG1 3.94Å; L2035-I2048 VanDerWaalsContact CD1-CG1 3.5Å; L2035-I2048 HydrophobicContact CD1-CG2 4.1Å; L2035-I2048 HydrophobicContact CD2-CD1 4.26Å; L2035-I2048 HydrophobicContact CG-CD1 4.01Å; I2044-I2048 HydrophobicContact CG2-CD1 3.8Å; I2044-I2048 HydrophobicContact CG2-CG1 4.25Å; I2044-I2048 WeakPolarHBondContact O-CB 3.34Å; I2044-I2048 WeakPolarHBondContact O-CD1 3.47Å; I2044-I2048 VanDerWaalsContact O-CG1 3.27Å; I2044-I2048 WeakPolarHBondContact O-CG1 3.34Å; I2044-I2048 PolarHBondContact O-N 3.05Å; N2045-I2048 PolarHBondContact O-N 3.39Å; I2048-L2050 VanDerWaalsContact C-N 3.34Å; I2048-L2050 PolarHBondContact O-N 3.07Å; I2048-G2051 PolarHBondContact O-N 2.96Å; I2048-I2052 HydrophobicContact CG2-CD1 3.74Å; I2048-I2052 HydrophobicContact CG2-CG1 4.38Å; I2048-I2052 WeakPolarHBondContact O-CB 3.31Å; I2048-I2052 WeakPolarHBondContact O-CD1 3.34Å; I2048-I2052 VanDerWaalsContact O-CG1 3.26Å; I2048-I2052 WeakPolarHBondContact O-CG1 3.28Å; I2048-I2052 PolarHBondContact O-N 3.04Å; I2048-F2081 HydrophobicContact CD1-CD2 4.33Å; I2048-F2081 HydrophobicContact CD1-CE2 4.34Å; I2048-F2081 HydrophobicContact CG1-CD2 3.85Å; I2048-F2081 HydrophobicContact CG1-CE2 3.62Å; I2048-F2081 HydrophobicContact CG1-CZ 4.31Å |
| 2049 | L | 40.3 | Very low | 37.2 | Very low | 75.8 Ų | 75.8 | 74.1 Ų | 74.1 | 40% | 0.397 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 174.9 | -163.8 | 76.5 | 0 | 0 | 0 | 111.3 | A2027 N2045 S2046 L2047 G2051 I2052 L2053 L2080 | A2027-L2049 HydrophobicContact CB-CD2 4.26Å; A2027-L2049 HydrophobicContact CB-CG 4.46Å; N2045-L2049 VanDerWaalsContact O-CB 3.28Å; N2045-L2049 WeakPolarHBondContact O-CB 3.31Å; N2045-L2049 PolarHBondContact O-N 3.14Å; S2046-L2049 PolarHBondContact O-N 3.14Å; L2047-L2049 VanDerWaalsContact C-N 3.35Å; L2049-G2051 VanDerWaalsContact C-N 3.32Å; L2049-G2051 PolarHBondContact O-N 3.1Å; L2049-I2052 PolarHBondContact O-N 3.01Å; L2049-I2052 VanDerWaalsContact O-N 3.15Å; L2049-L2053 HydrophobicContact CD1-CD1 4.33Å; L2049-L2053 HydrophobicContact CD1-CG 4.41Å; L2049-L2053 HydrophobicContact CD2-CD1 4.28Å; L2049-L2053 HydrophobicContact CG-CD1 4.04Å; L2049-L2053 HydrophobicContact CG-CG 4.39Å; L2049-L2053 VanDerWaalsContact O-CB 3.29Å; L2049-L2053 WeakPolarHBondContact O-CB 3.31Å; L2049-L2053 WeakPolarHBondContact O-CD1 3.33Å; L2049-L2053 VanDerWaalsContact O-CG 3.29Å; L2049-L2053 WeakPolarHBondContact O-CG 3.34Å; L2049-L2053 PolarHBondContact O-N 2.97Å; L2049-L2080 HydrophobicContact CD2-CD1 4.1Å; L2049-L2080 HydrophobicContact CD2-CD2 3.84Å; L2049-L2080 HydrophobicContact CD2-CG 4.3Å; L2049-L2080 HydrophobicContact CG-CD2 4.39Å |
| 2050 | L | 43 | Very low | 37.2 | Very low | 35 Ų | 35 | 70.8 Ų | 70.8 | 18% | 0.183 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 175.8 | -173 | 68.1 | 0 | 0 | 0 | 111.6 | L1960 I2024 A2027 A2028 S2046 L2047 I2048 I2052 L2053 L2054 I2077 L2080 | L1960-L2050 HydrophobicContact CD1-CD2 4.19Å; I2024-L2050 HydrophobicContact CG2-CD1 3.93Å; A2027-L2050 HydrophobicContact CB-CD1 4.45Å; A2028-L2050 HydrophobicContact CB-CD1 4.2Å; S2046-L2050 VanDerWaalsContact O-CB 3.28Å; S2046-L2050 WeakPolarHBondContact O-CB 3.29Å; S2046-L2050 PolarHBondContact O-N 2.91Å; L2047-L2050 PolarHBondContact O-N 2.82Å; I2048-L2050 VanDerWaalsContact C-N 3.34Å; I2048-L2050 PolarHBondContact O-N 3.07Å; L2050-I2052 VanDerWaalsContact C-N 3.34Å; L2050-I2052 PolarHBondContact O-N 3.2Å; L2050-L2053 PolarHBondContact O-N 3.05Å; L2050-L2054 HydrophobicContact CD1-CD1 4.09Å; L2050-L2054 HydrophobicContact CD1-CG 4.32Å; L2050-L2054 HydrophobicContact CD2-CD1 4.42Å; L2050-L2054 HydrophobicContact CG-CD1 4.05Å; L2050-L2054 HydrophobicContact CG-CG 4.45Å; L2050-L2054 VanDerWaalsContact O-CB 3.28Å; L2050-L2054 WeakPolarHBondContact O-CB 3.27Å; L2050-L2054 WeakPolarHBondContact O-CD1 3.05Å; L2050-L2054 VanDerWaalsContact O-CG 3.27Å; L2050-L2054 WeakPolarHBondContact O-CG 3.37Å; L2050-L2054 PolarHBondContact O-N 3.03Å; L2050-I2077 HydrophobicContact CD1-CD1 4.32Å; L2050-I2077 HydrophobicContact CD1-CG1 3.6Å; L2050-I2077 HydrophobicContact CD2-CD1 4.13Å; L2050-I2077 HydrophobicContact CD2-CG1 3.84Å; L2050-I2077 HydrophobicContact CG-CG1 4.39Å; L2050-L2080 HydrophobicContact CB-CD1 4.48Å; L2050-L2080 HydrophobicContact CD1-CD1 4.14Å |
| 2051 | G | 39.9 | Very low | 37 | Very low | 8.6 Ų | 8.6 | 67.3 Ų | 67.3 | 9% | 0.089 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L2047 I2048 L2049 L2053 L2054 S2055 L2074 | L2047-G2051 PolarHBondContact O-N 3.16Å; I2048-G2051 PolarHBondContact O-N 2.96Å; L2049-G2051 VanDerWaalsContact C-N 3.32Å; L2049-G2051 PolarHBondContact O-N 3.1Å; G2051-L2053 VanDerWaalsContact C-N 3.34Å; G2051-L2053 PolarHBondContact O-N 2.8Å; G2051-L2054 PolarHBondContact O-N 3.14Å; G2051-S2055 VanDerWaalsContact O-CB 3.28Å; G2051-S2055 WeakPolarHBondContact O-CB 3.32Å; G2051-S2055 PolarHBondContact O-N 3.28Å; G2051-S2055 PolarHBondContact O-OG 3.02Å; G2051-L2074 VanDerWaalsContact C-CD1 3.48Å; G2051-L2074 VanDerWaalsContact O-CD1 3.28Å; G2051-L2074 WeakPolarHBondContact O-CD1 3.43Å |
| 2052 | I | 39.1 | Very low | 36.7 | Very low | 53 Ų | 53 | 68.4 Ų | 68.4 | 27% | 0.272 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 174 | -69.3 | 167.6 | 0 | 0 | 0 | 110.6 | F1986 A2028 I2048 L2049 L2050 L2054 S2055 Q2056 | F1986-I2052 HydrophobicContact CZ-CG1 4.45Å; A2028-I2052 HydrophobicContact CB-CD1 4Å; A2028-I2052 HydrophobicContact CB-CG1 4.33Å; I2048-I2052 HydrophobicContact CG2-CD1 3.74Å; I2048-I2052 HydrophobicContact CG2-CG1 4.38Å; I2048-I2052 WeakPolarHBondContact O-CB 3.31Å; I2048-I2052 WeakPolarHBondContact O-CD1 3.34Å; I2048-I2052 VanDerWaalsContact O-CG1 3.26Å; I2048-I2052 WeakPolarHBondContact O-CG1 3.28Å; I2048-I2052 PolarHBondContact O-N 3.04Å; L2049-I2052 PolarHBondContact O-N 3.01Å; L2049-I2052 VanDerWaalsContact O-N 3.15Å; L2050-I2052 VanDerWaalsContact C-N 3.34Å; L2050-I2052 PolarHBondContact O-N 3.2Å; I2052-L2054 VanDerWaalsContact C-N 3.34Å; I2052-L2054 PolarHBondContact O-N 2.79Å; I2052-S2055 WeakPolarHBondContact CA-OG 3.22Å; I2052-S2055 CarbonylContact O-C 3.54Å; I2052-S2055 WeakPolarHBondContact O-CA 3.29Å; I2052-S2055 WeakPolarHBondContact O-CB 3.44Å; I2052-S2055 PolarHBondContact O-N 2.87Å; I2052-S2055 VanDerWaalsContact O-N 3.13Å; I2052-S2055 PolarHBondContact O-OG 3.05Å; I2052-S2055 VanDerWaalsContact O-OG 3.07Å; I2052-Q2056 HydrophobicContact CG2-CG 4.48Å; I2052-Q2056 WeakPolarHBondContact O-CB 3.38Å; I2052-Q2056 VanDerWaalsContact O-CG 3.3Å; I2052-Q2056 WeakPolarHBondContact O-CG 3.42Å; I2052-Q2056 PolarHBondContact O-N 3.14Å |
| 2053 | L | 39.3 | Very low | 36.3 | Very low | 45.4 Ų | 45.4 | 64.1 Ų | 64.1 | 24% | 0.238 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 178.2 | -73 | 166.8 | 0 | 0 | 0 | 112.2 | L2020 S2023 I2024 A2027 L2049 L2050 G2051 S2055 Q2056 R2057 I2073 S2076 L2080 | L2020-L2053 HydrophobicContact CD1-CD2 4.24Å; S2023-L2053 WeakPolarHBondContact O-CD1 3.47Å; I2024-L2053 HydrophobicContact CG1-CB 3.79Å; A2027-L2053 HydrophobicContact CB-CD1 3.56Å; L2049-L2053 HydrophobicContact CD1-CD1 4.33Å; L2049-L2053 HydrophobicContact CD1-CG 4.41Å; L2049-L2053 HydrophobicContact CD2-CD1 4.28Å; L2049-L2053 HydrophobicContact CG-CD1 4.04Å; L2049-L2053 HydrophobicContact CG-CG 4.39Å; L2049-L2053 VanDerWaalsContact O-CB 3.29Å; L2049-L2053 WeakPolarHBondContact O-CB 3.31Å; L2049-L2053 WeakPolarHBondContact O-CD1 3.33Å; L2049-L2053 VanDerWaalsContact O-CG 3.29Å; L2049-L2053 WeakPolarHBondContact O-CG 3.34Å; L2049-L2053 PolarHBondContact O-N 2.97Å; L2050-L2053 PolarHBondContact O-N 3.05Å; G2051-L2053 VanDerWaalsContact C-N 3.34Å; G2051-L2053 PolarHBondContact O-N 2.8Å; L2053-S2055 PolarHBondContact O-N 3.36Å; L2053-Q2056 CarbonylContact O-C 3.56Å; L2053-Q2056 PolarHBondContact O-N 3.04Å; L2053-R2057 VanDerWaalsContact O-CB 3.25Å; L2053-R2057 WeakPolarHBondContact O-CB 2.95Å; L2053-R2057 PolarHBondContact O-N 2.97Å; L2053-I2073 HydrophobicContact CD2-CG1 4.37Å; L2053-S2076 WeakPolarHBondContact CD2-OG 3.42Å; L2053-L2080 HydrophobicContact CD1-CD1 3.93Å; L2053-L2080 HydrophobicContact CD1-CG 4.39Å |
| 2054 | L | 40.7 | Very low | 35.8 | Very low | 33.4 Ų | 33.4 | 66.1 Ų | 66.1 | 18% | 0.175 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.9 | -37.8 | 173.4 | -70.9 | 166.4 | 0 | 0 | 0 | 111.6 | I1956 F1983 Y1987 I2024 L2050 G2051 I2052 Q2056 R2057 R2058 I2073 | I1956-L2054 HydrophobicContact CD1-CD1 3.61Å; I1956-L2054 HydrophobicContact CD1-CD2 3.81Å; I1956-L2054 HydrophobicContact CD1-CG 4.38Å; F1983-L2054 HydrophobicContact CZ-CD1 4.34Å; Y1987-L2054 HydrophobicContact CE2-CB 3.68Å; Y1987-L2054 HydrophobicContact CE2-CD1 4.36Å; I2024-L2054 HydrophobicContact CD1-CD2 4.3Å; I2024-L2054 HydrophobicContact CG2-CD2 4.4Å; L2050-L2054 HydrophobicContact CD1-CD1 4.09Å; L2050-L2054 HydrophobicContact CD1-CG 4.32Å; L2050-L2054 HydrophobicContact CD2-CD1 4.42Å; L2050-L2054 HydrophobicContact CG-CD1 4.05Å; L2050-L2054 HydrophobicContact CG-CG 4.45Å; L2050-L2054 VanDerWaalsContact O-CB 3.28Å; L2050-L2054 WeakPolarHBondContact O-CB 3.27Å; L2050-L2054 WeakPolarHBondContact O-CD1 3.05Å; L2050-L2054 VanDerWaalsContact O-CG 3.27Å; L2050-L2054 WeakPolarHBondContact O-CG 3.37Å; L2050-L2054 PolarHBondContact O-N 3.03Å; G2051-L2054 PolarHBondContact O-N 3.14Å; I2052-L2054 VanDerWaalsContact C-N 3.34Å; I2052-L2054 PolarHBondContact O-N 2.79Å; L2054-Q2056 VanDerWaalsContact C-N 3.34Å; L2054-Q2056 PolarHBondContact O-N 3.1Å; L2054-R2057 CarbonylContact O-C 3.54Å; L2054-R2057 VanDerWaalsContact O-C 3.25Å; L2054-R2057 WeakPolarHBondContact O-CA 3.28Å; L2054-R2057 WeakPolarHBondContact O-CB 3.33Å; L2054-R2057 PolarHBondContact O-N 3.2Å; L2054-R2058 WeakPolarHBondContact O-CB 3.21Å; L2054-R2058 PolarHBondContact O-N 3.24Å; L2054-R2058 VanDerWaalsContact O-N 3.12Å; L2054-I2073 HydrophobicContact CD1-CG2 4.35Å; L2054-I2073 HydrophobicContact CD2-CB 4.45Å; L2054-I2073 HydrophobicContact CD2-CD1 3.54Å; L2054-I2073 HydrophobicContact CD2-CG1 3.69Å; L2054-I2073 HydrophobicContact CD2-CG2 3.88Å |
| 2055 | S | 38.5 | Very low | 35.5 | Very low | 25.4 Ų | 25.4 | 69.8 Ų | 69.8 | 18% | 0.178 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.4 | -33.7 | 174.8 | 72.2 | 0 | 0 | 0 | 0 | 113.1 | L1990 G2051 I2052 L2053 R2057 R2058 L2059 | L1990-S2055 VanDerWaalsContact CD2-CB 3.42Å; L1990-S2055 WeakPolarHBondContact CD2-OG 3.22Å; G2051-S2055 VanDerWaalsContact O-CB 3.28Å; G2051-S2055 WeakPolarHBondContact O-CB 3.32Å; G2051-S2055 PolarHBondContact O-N 3.28Å; G2051-S2055 PolarHBondContact O-OG 3.02Å; I2052-S2055 WeakPolarHBondContact CA-OG 3.22Å; I2052-S2055 CarbonylContact O-C 3.54Å; I2052-S2055 WeakPolarHBondContact O-CA 3.29Å; I2052-S2055 WeakPolarHBondContact O-CB 3.44Å; I2052-S2055 PolarHBondContact O-N 2.87Å; I2052-S2055 VanDerWaalsContact O-N 3.13Å; I2052-S2055 PolarHBondContact O-OG 3.05Å; I2052-S2055 VanDerWaalsContact O-OG 3.07Å; L2053-S2055 PolarHBondContact O-N 3.36Å; S2055-R2057 VanDerWaalsContact C-N 3.33Å; S2055-R2057 PolarHBondContact O-N 2.96Å; S2055-R2058 WeakPolarHBondContact O-CB 3.38Å; S2055-R2058 PolarHBondContact O-N 3.16Å; S2055-R2058 VanDerWaalsContact O-N 3.15Å; S2055-L2059 WeakPolarHBondContact O-CD1 3.09Å; S2055-L2059 VanDerWaalsContact O-CG 3.28Å; S2055-L2059 WeakPolarHBondContact O-CG 3.42Å; S2055-L2059 PolarHBondContact O-N 3.07Å |
| 2056 | Q | 34.1 | Very low | 35 | Very low | 99.4 Ų | 99.4 | 69.2 Ų | 69.2 | 46% | 0.464 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.7 | -29.3 | 171.8 | -77.3 | -176.9 | -33.7 | 0 | 0 | 112.2 | L2020 I2052 L2053 L2054 R2058 L2059 H2060 | L2020-Q2056 HydrophobicContact CD1-CB 4.33Å; I2052-Q2056 HydrophobicContact CG2-CG 4.48Å; I2052-Q2056 WeakPolarHBondContact O-CB 3.38Å; I2052-Q2056 VanDerWaalsContact O-CG 3.3Å; I2052-Q2056 WeakPolarHBondContact O-CG 3.42Å; I2052-Q2056 PolarHBondContact O-N 3.14Å; L2053-Q2056 CarbonylContact O-C 3.56Å; L2053-Q2056 PolarHBondContact O-N 3.04Å; L2054-Q2056 VanDerWaalsContact C-N 3.34Å; L2054-Q2056 PolarHBondContact O-N 3.1Å; Q2056-R2058 VanDerWaalsContact C-N 3.3Å; Q2056-R2058 PolarHBondContact O-N 2.82Å; Q2056-R2058 VanDerWaalsContact O-N 3.16Å; Q2056-L2059 HydrophobicContact CG-CD1 4.35Å; Q2056-L2059 WeakPolarHBondContact O-CB 3.39Å; Q2056-L2059 PolarHBondContact O-N 3.2Å; Q2056-H2060 VanDerWaalsContact O-CB 3.28Å; Q2056-H2060 WeakPolarHBondContact O-CB 3.18Å; Q2056-H2060 PolarHBondContact O-CD2 3.28Å; Q2056-H2060 PolarHBondContact O-N 2.88Å |
| 2057 | R | 34.3 | Very low | 34.4 | Very low | 72 Ų | 72 | 70.3 Ų | 70.3 | 27% | 0.272 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.1 | -18.3 | 171.6 | -140.6 | -179.2 | -171.1 | -169 | 1.1 | 113.1 | L2020 N2021 L2053 L2054 S2055 L2059 H2060 Y2061 E2070 I2073 S2076 | L2020-R2057 HydrophobicContact CD2-CB 3.85Å; L2020-R2057 HydrophobicContact CD2-CG 3.85Å; N2021-R2057 PolarHBondContact OD1-NH2 3.04Å; L2053-R2057 VanDerWaalsContact O-CB 3.25Å; L2053-R2057 WeakPolarHBondContact O-CB 2.95Å; L2053-R2057 PolarHBondContact O-N 2.97Å; L2054-R2057 CarbonylContact O-C 3.54Å; L2054-R2057 VanDerWaalsContact O-C 3.25Å; L2054-R2057 WeakPolarHBondContact O-CA 3.28Å; L2054-R2057 WeakPolarHBondContact O-CB 3.33Å; L2054-R2057 PolarHBondContact O-N 3.2Å; S2055-R2057 VanDerWaalsContact C-N 3.33Å; S2055-R2057 PolarHBondContact O-N 2.96Å; R2057-L2059 VanDerWaalsContact C-N 3.31Å; R2057-L2059 PolarHBondContact O-N 3.44Å; R2057-H2060 PolarHBondContact O-N 3.03Å; R2057-H2060 VanDerWaalsContact O-N 3.13Å; R2057-Y2061 HydrophobicContact CG-CD2 4.11Å; R2057-Y2061 HydrophobicContact CG-CE2 4Å; R2057-Y2061 PolarHBondContact NE-OH 2.93Å; R2057-Y2061 PolarHBondContact NH2-OH 3.42Å; R2057-Y2061 WeakPolarHBondContact O-CD2 3.08Å; R2057-Y2061 PolarHBondContact O-N 3.14Å; R2057-Y2061 VanDerWaalsContact O-N 3.13Å; R2057-E2070 WeakPolarHBondContact CD-OE1 3.08Å; R2057-E2070 IonicContact NH1-OE1 2.84Å; R2057-I2073 HydrophobicContact CB-CD1 4.08Å; R2057-I2073 HydrophobicContact CB-CG1 4.48Å; R2057-I2073 HydrophobicContact CG-CD1 3.79Å; R2057-S2076 PolarHBondContact NH1-OG 2.88Å |
| 2058 | R | 33.1 | Very low | 34 | Very low | 112.8 Ų | 112.8 | 71.3 Ų | 71.3 | 43% | 0.426 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -74.8 | -25.8 | 171.8 | -129.7 | -178.8 | 175.8 | -175.1 | 0.7 | 113.6 | F1944 D1950 L2054 S2055 Q2056 H2060 | F1944-R2058 VanDerWaalsContact CZ-NH2 3.27Å; D1950-R2058 IonicContact OD1-CZ 3.85Å; D1950-R2058 IonicContact OD1-NH1 2.93Å; D1950-R2058 PolarHBondContact OD1-NH1 3.42Å; D1950-R2058 IonicContact OD1-NH2 2.71Å; D1950-R2058 IonicContact OD2-NH1 3.9Å; L2054-R2058 WeakPolarHBondContact O-CB 3.21Å; L2054-R2058 PolarHBondContact O-N 3.24Å; L2054-R2058 VanDerWaalsContact O-N 3.12Å; S2055-R2058 WeakPolarHBondContact O-CB 3.38Å; S2055-R2058 PolarHBondContact O-N 3.16Å; S2055-R2058 VanDerWaalsContact O-N 3.15Å; Q2056-R2058 VanDerWaalsContact C-N 3.3Å; Q2056-R2058 PolarHBondContact O-N 2.82Å; Q2056-R2058 VanDerWaalsContact O-N 3.16Å; R2058-H2060 VanDerWaalsContact C-N 3.27Å; R2058-H2060 PolarHBondContact O-N 3.02Å |
| 2059 | L | 33.2 | Very low | 33.6 | Very low | 85.6 Ų | 85.6 | 70.2 Ų | 70.2 | 45% | 0.448 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -77.5 | -12.1 | 177.1 | -73.4 | 162.9 | 0 | 0 | 0 | 113.8 | L2020 I2024 S2055 Q2056 R2057 Y2061 N2062 L2063 | L2020-L2059 HydrophobicContact CD1-CD2 4.09Å; L2020-L2059 HydrophobicContact CD2-CD2 3.76Å; L2020-L2059 HydrophobicContact CG-CD2 4.15Å; I2024-L2059 HydrophobicContact CD1-CD1 3.43Å; I2024-L2059 VanDerWaalsContact CD1-CD1 3.43Å; I2024-L2059 HydrophobicContact CD1-CD2 4.44Å; I2024-L2059 HydrophobicContact CG1-CD1 4Å; S2055-L2059 WeakPolarHBondContact O-CD1 3.09Å; S2055-L2059 VanDerWaalsContact O-CG 3.28Å; S2055-L2059 WeakPolarHBondContact O-CG 3.42Å; S2055-L2059 PolarHBondContact O-N 3.07Å; Q2056-L2059 HydrophobicContact CG-CD1 4.35Å; Q2056-L2059 WeakPolarHBondContact O-CB 3.39Å; Q2056-L2059 PolarHBondContact O-N 3.2Å; R2057-L2059 VanDerWaalsContact C-N 3.31Å; R2057-L2059 PolarHBondContact O-N 3.44Å; L2059-Y2061 PolarHBondContact O-N 3.25Å; L2059-N2062 PolarHBondContact O-N 3.47Å; L2059-L2063 WeakPolarHBondContact O-CD1 3.26Å; L2059-L2063 VanDerWaalsContact O-CG 3.24Å; L2059-L2063 WeakPolarHBondContact O-CG 3.42Å |
| 2060 | H | 32.5 | Very low | 33.1 | Very low | 105.6 Ų | 105.6 | 69.2 Ų | 69.2 | 49% | 0.489 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -119.9 | 1.8 | -171.5 | -89.7 | -39 | 0 | 0 | 0 | 115.7 | D2013 N2016 Q2056 R2057 R2058 N2062 L2063 T2064 A2069 N2072 | D2013-H2060 IonicContact OD1-CE1 3.23Å; D2013-H2060 PolarHBondContact OD1-CE1 3.28Å; D2013-H2060 IonicContact OD1-CG 2.62Å; D2013-H2060 IonicContact OD1-ND1 3.55Å; D2013-H2060 PolarHBondContact OD1-ND1 2.95Å; N2016-H2060 PolarHBondContact ND2-CE1 2.92Å; N2016-H2060 PolarHBondContact ND2-NE2 2.94Å; Q2056-H2060 VanDerWaalsContact O-CB 3.28Å; Q2056-H2060 WeakPolarHBondContact O-CB 3.18Å; Q2056-H2060 PolarHBondContact O-CD2 3.28Å; Q2056-H2060 PolarHBondContact O-N 2.88Å; R2057-H2060 PolarHBondContact O-N 3.03Å; R2057-H2060 VanDerWaalsContact O-N 3.13Å; R2058-H2060 VanDerWaalsContact C-N 3.27Å; R2058-H2060 PolarHBondContact O-N 3.02Å; H2060-N2062 VanDerWaalsContact C-N 3.29Å; H2060-N2062 PolarHBondContact O-N 3.03Å; H2060-N2062 VanDerWaalsContact O-N 3.1Å; H2060-L2063 PolarHBondContact O-N 3.44Å; H2060-T2064 PolarHBondContact ND1-OG1 3.17Å; H2060-T2064 PolarHBondContact O-N 3.48Å; H2060-T2064 VanDerWaalsContact O-N 3.12Å; H2060-A2069 HydrophobicContact CB-CB 3.97Å; H2060-N2072 PolarHBondContact NE2-ND2 3.04Å |
| 2061 | Y | 29 | Very low | 32.6 | Very low | 112.2 Ų | 112.2 | 69.3 Ų | 69.3 | 44% | 0.44 | 36% | 0.362 | S | S | . | . | trans | -94.2 | 75.3 | 177.6 | -91.8 | -75.2 | 0 | 0 | 0 | 114 | L2017 R2057 L2059 L2063 F2066 N2550 | L2017-Y2061 HydrophobicContact CD1-CE2 3.69Å; L2017-Y2061 WeakPolarHBondContact CD1-OH 3.26Å; L2017-Y2061 VanDerWaalsContact CD2-OH 3.24Å; L2017-Y2061 WeakPolarHBondContact CD2-OH 3.39Å; R2057-Y2061 HydrophobicContact CG-CD2 4.11Å; R2057-Y2061 HydrophobicContact CG-CE2 4Å; R2057-Y2061 PolarHBondContact NE-OH 2.93Å; R2057-Y2061 PolarHBondContact NH2-OH 3.42Å; R2057-Y2061 WeakPolarHBondContact O-CD2 3.08Å; R2057-Y2061 PolarHBondContact O-N 3.14Å; R2057-Y2061 VanDerWaalsContact O-N 3.13Å; L2059-Y2061 PolarHBondContact O-N 3.25Å; Y2061-L2063 PolarHBondContact O-N 3.38Å; Y2061-F2066 HydrophobicContact CD1-CE2 4.07Å; Y2061-F2066 HydrophobicContact CD1-CZ 4.16Å; Y2061-F2066 HydrophobicContact CE1-CE1 4.1Å; Y2061-F2066 HydrophobicContact CE1-CE2 4.04Å; Y2061-F2066 AromaticContact CE1-CZ 3.67Å; Y2061-F2066 HydrophobicContact CE1-CZ 3.67Å; Y2061-N2550 HydrophobicContact CE1-CB 4.29Å; Y2061-N2550 PolarHBondContact OH-ND2 3.49Å | ||
| 2062 | N | 27.6 | Very low | 32.4 | Very low | 105.2 Ų | 105.2 | 72.1 Ų | 72.1 | 56% | 0.563 | 38% | 0.375 | S | S | * | . | trans | -84.5 | 89.4 | 172.4 | -87.7 | -37.9 | 0 | 0 | 0 | 112.6 | L2059 H2060 T2064 K2115 E2554 | L2059-N2062 PolarHBondContact O-N 3.47Å; H2060-N2062 VanDerWaalsContact C-N 3.29Å; H2060-N2062 PolarHBondContact O-N 3.03Å; H2060-N2062 VanDerWaalsContact O-N 3.1Å; N2062-T2064 PolarHBondContact O-N 3.24Å; N2062-K2115 PolarHBondContact OD1-NZ 2.75Å; N2062-K2115 VanDerWaalsContact OD1-NZ 3.1Å; N2062-E2554 PolarHBondContact ND2-OE1 3.33Å; N2062-E2554 PolarHBondContact ND2-OE2 2.72Å; N2062-E2554 VanDerWaalsContact ND2-OE2 3.11Å | ||
| 2063 | L | 26.2 | Very low | 32.2 | Very low | 92.2 Ų | 92.2 | 71 Ų | 71 | 48% | 0.483 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -87.9 | 44 | -163.9 | -84.7 | 164 | 0 | 0 | 0 | 115.9 | L1791 L2059 H2060 Y2061 N2065 F2066 I2119 | L1791-L2063 HydrophobicContact CD1-CD2 4.41Å; L2059-L2063 WeakPolarHBondContact O-CD1 3.26Å; L2059-L2063 VanDerWaalsContact O-CG 3.24Å; L2059-L2063 WeakPolarHBondContact O-CG 3.42Å; H2060-L2063 PolarHBondContact O-N 3.44Å; Y2061-L2063 PolarHBondContact O-N 3.38Å; L2063-N2065 PolarHBondContact O-N 3.12Å; L2063-F2066 HydrophobicContact CD2-CE2 3.83Å; L2063-F2066 HydrophobicContact CD2-CZ 4.45Å; L2063-I2119 HydrophobicContact CB-CD1 3.93Å; L2063-I2119 HydrophobicContact CD2-CD1 3.64Å; L2063-I2119 HydrophobicContact CD2-CG1 3.82Å; L2063-I2119 HydrophobicContact CD2-CG2 4.21Å; L2063-I2119 HydrophobicContact CG-CD1 4.39Å; L2063-I2119 WeakPolarHBondContact O-CD1 3.46Å |
| 2064 | T | 27.2 | Very low | 32 | Very low | 107 Ų | 107 | 71.7 Ų | 71.7 | 66% | 0.656 | 37% | 0.373 | S | S | * | . | trans | -106.3 | 30.4 | -174.1 | 47.4 | 0 | 0 | 0 | 0 | 114.7 | H2060 N2062 F2066 S2068 | H2060-T2064 PolarHBondContact ND1-OG1 3.17Å; H2060-T2064 PolarHBondContact O-N 3.48Å; H2060-T2064 VanDerWaalsContact O-N 3.12Å; N2062-T2064 PolarHBondContact O-N 3.24Å; T2064-F2066 VanDerWaalsContact C-N 3.27Å; T2064-F2066 PolarHBondContact O-N 3.47Å; T2064-S2068 VanDerWaalsContact CB-OG 3.3Å; T2064-S2068 WeakPolarHBondContact CB-OG 3.36Å; T2064-S2068 PolarHBondContact OG1-OG 3.4Å | ||
| 2065 | N | 30.1 | Very low | 31.8 | Very low | 103.4 Ų | 103.4 | 74.1 Ų | 74.1 | 55% | 0.553 | 39% | 0.385 | S | S | * | . | trans | -96.5 | 46.4 | 174.4 | -116.2 | -28.9 | 0 | 0 | 0 | 114.7 | L2063 A2067 S2068 A2069 E2999 | L2063-N2065 PolarHBondContact O-N 3.12Å; N2065-A2067 PolarHBondContact O-N 3.23Å; N2065-A2067 VanDerWaalsContact O-N 3.07Å; N2065-A2067 WeakPolarHBondContact OD1-CB 3.28Å; N2065-A2067 PolarHBondContact OD1-N 2.74Å; N2065-S2068 WeakPolarHBondContact O-CA 3.31Å; N2065-S2068 VanDerWaalsContact O-CB 3.32Å; N2065-S2068 WeakPolarHBondContact O-CB 3.29Å; N2065-S2068 PolarHBondContact O-N 3.17Å; N2065-S2068 PolarHBondContact O-OG 3.17Å; N2065-A2069 PolarHBondContact O-N 3.42Å; N2065-E2999 PolarHBondContact ND2-OE1 2.74Å; N2065-E2999 PolarHBondContact ND2-OE2 3.26Å | ||
| 2066 | F | 26.5 | Very low | 31.6 | Very low | 80 Ų | 80 | 74.1 Ų | 74.1 | 35% | 0.351 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -56.5 | -36.7 | 179.8 | -99.2 | -96.7 | 0 | 0 | 0 | 113.5 | M1949 I1952 Y2061 L2063 T2064 S2068 A2069 E2070 L2938 I2996 | M1949-F2066 HydrophobicContact CE-CE1 3.87Å; M1949-F2066 HydrophobicContact CE-CZ 3.81Å; M1949-F2066 HydrophobicContact CG-CZ 4.48Å; I1952-F2066 HydrophobicContact CD1-CD1 4.5Å; I1952-F2066 HydrophobicContact CD1-CE1 3.66Å; I1952-F2066 HydrophobicContact CD1-CZ 4.12Å; I1952-F2066 HydrophobicContact CG1-CD1 4.48Å; I1952-F2066 HydrophobicContact CG1-CE1 3.75Å; Y2061-F2066 HydrophobicContact CD1-CE2 4.07Å; Y2061-F2066 HydrophobicContact CD1-CZ 4.16Å; Y2061-F2066 HydrophobicContact CE1-CE1 4.1Å; Y2061-F2066 HydrophobicContact CE1-CE2 4.04Å; Y2061-F2066 AromaticContact CE1-CZ 3.67Å; Y2061-F2066 HydrophobicContact CE1-CZ 3.67Å; L2063-F2066 HydrophobicContact CD2-CE2 3.83Å; L2063-F2066 HydrophobicContact CD2-CZ 4.45Å; T2064-F2066 VanDerWaalsContact C-N 3.27Å; T2064-F2066 PolarHBondContact O-N 3.47Å; F2066-S2068 VanDerWaalsContact C-N 3.29Å; F2066-S2068 PolarHBondContact O-N 2.92Å; F2066-S2068 VanDerWaalsContact O-N 3.11Å; F2066-A2069 HydrophobicContact CD1-CB 4.09Å; F2066-A2069 HydrophobicContact CE1-CB 4.43Å; F2066-A2069 CarbonylContact O-C 3.57Å; F2066-A2069 WeakPolarHBondContact O-CA 3.35Å; F2066-A2069 WeakPolarHBondContact O-CB 3.32Å; F2066-A2069 PolarHBondContact O-N 3.1Å; F2066-A2069 VanDerWaalsContact O-N 3.16Å; F2066-E2070 WeakPolarHBondContact CB-OE2 3.45Å; F2066-E2070 HydrophobicContact CD1-CG 4.48Å; F2066-E2070 WeakPolarHBondContact O-CA 3.38Å; F2066-E2070 VanDerWaalsContact O-CB 3.32Å; F2066-E2070 WeakPolarHBondContact O-CB 3.29Å; F2066-E2070 VanDerWaalsContact O-CG 3.24Å; F2066-E2070 WeakPolarHBondContact O-CG 3.42Å; F2066-E2070 PolarHBondContact O-N 3.25Å; F2066-E2070 VanDerWaalsContact O-OE2 3.06Å; F2066-L2938 HydrophobicContact CE1-CD2 4.5Å; F2066-I2996 HydrophobicContact CB-CG2 4.31Å; F2066-I2996 HydrophobicContact CD2-CD1 3.72Å; F2066-I2996 HydrophobicContact CD2-CG1 4.07Å; F2066-I2996 HydrophobicContact CD2-CG2 3.81Å; F2066-I2996 HydrophobicContact CE2-CD1 3.95Å; F2066-I2996 HydrophobicContact CE2-CG2 4.42Å; F2066-I2996 HydrophobicContact CG-CG2 4.26Å |
| 2067 | A | 27.7 | Very low | 31.8 | Very low | 52.4 Ų | 52.4 | 70.7 Ų | 70.7 | 43% | 0.433 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.5 | -33.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N2065 A2069 E2070 A2071 | N2065-A2067 PolarHBondContact O-N 3.23Å; N2065-A2067 VanDerWaalsContact O-N 3.07Å; N2065-A2067 WeakPolarHBondContact OD1-CB 3.28Å; N2065-A2067 PolarHBondContact OD1-N 2.74Å; A2067-A2069 VanDerWaalsContact C-N 3.27Å; A2067-A2069 PolarHBondContact O-N 2.97Å; A2067-E2070 PolarHBondContact O-N 3.24Å; A2067-A2071 WeakPolarHBondContact O-CA 3.34Å; A2067-A2071 WeakPolarHBondContact O-CB 3.41Å; A2067-A2071 PolarHBondContact O-N 3.18Å; A2067-A2071 VanDerWaalsContact O-N 3.17Å |
| 2068 | S | 31.6 | Very low | 31.8 | Very low | 51 Ų | 51 | 71 Ų | 71 | 36% | 0.357 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -75.3 | -36.8 | 176.2 | 88.1 | 0 | 0 | 0 | 0 | 112.5 | T2064 N2065 F2066 N2072 | T2064-S2068 VanDerWaalsContact CB-OG 3.3Å; T2064-S2068 WeakPolarHBondContact CB-OG 3.36Å; T2064-S2068 PolarHBondContact OG1-OG 3.4Å; N2065-S2068 WeakPolarHBondContact O-CA 3.31Å; N2065-S2068 VanDerWaalsContact O-CB 3.32Å; N2065-S2068 WeakPolarHBondContact O-CB 3.29Å; N2065-S2068 PolarHBondContact O-N 3.17Å; N2065-S2068 PolarHBondContact O-OG 3.17Å; F2066-S2068 VanDerWaalsContact C-N 3.29Å; F2066-S2068 PolarHBondContact O-N 2.92Å; F2066-S2068 VanDerWaalsContact O-N 3.11Å; S2068-N2072 VanDerWaalsContact O-CB 3.27Å; S2068-N2072 WeakPolarHBondContact O-CB 3.25Å; S2068-N2072 VanDerWaalsContact O-CG 3.26Å; S2068-N2072 PolarHBondContact O-N 3.12Å; S2068-N2072 VanDerWaalsContact O-N 3.1Å; S2068-N2072 PolarHBondContact O-ND2 3.25Å |
| 2069 | A | 31.6 | Very low | 31.9 | Very low | 19 Ų | 19 | 69.2 Ų | 69.2 | 16% | 0.157 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70 | -47 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | T1953 H2060 N2065 F2066 A2067 A2071 N2072 I2073 | T1953-A2069 HydrophobicContact CG2-CB 4.34Å; H2060-A2069 HydrophobicContact CB-CB 3.97Å; N2065-A2069 PolarHBondContact O-N 3.42Å; F2066-A2069 HydrophobicContact CD1-CB 4.09Å; F2066-A2069 HydrophobicContact CE1-CB 4.43Å; F2066-A2069 CarbonylContact O-C 3.57Å; F2066-A2069 WeakPolarHBondContact O-CA 3.35Å; F2066-A2069 WeakPolarHBondContact O-CB 3.32Å; F2066-A2069 PolarHBondContact O-N 3.1Å; F2066-A2069 VanDerWaalsContact O-N 3.16Å; A2067-A2069 VanDerWaalsContact C-N 3.27Å; A2067-A2069 PolarHBondContact O-N 2.97Å; A2069-A2071 VanDerWaalsContact C-N 3.32Å; A2069-A2071 PolarHBondContact O-N 3.02Å; A2069-N2072 CarbonylContact O-C 3.55Å; A2069-N2072 PolarHBondContact O-N 3.26Å; A2069-N2072 VanDerWaalsContact O-N 3.13Å; A2069-I2073 WeakPolarHBondContact O-CA 3.44Å; A2069-I2073 VanDerWaalsContact O-CB 3.28Å; A2069-I2073 WeakPolarHBondContact O-CB 3.21Å; A2069-I2073 VanDerWaalsContact O-CD1 3.29Å; A2069-I2073 WeakPolarHBondContact O-CD1 3.45Å; A2069-I2073 VanDerWaalsContact O-CG1 3.28Å; A2069-I2073 WeakPolarHBondContact O-CG1 3.13Å; A2069-I2073 PolarHBondContact O-N 3.11Å |
| 2070 | E | 31 | Very low | 31.9 | Very low | 55.2 Ų | 55.2 | 66.4 Ų | 66.4 | 26% | 0.258 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 175.1 | -74.6 | -178.2 | 151.6 | 0 | 0 | 111.5 | K1940 R2057 F2066 A2067 N2072 I2073 L2074 | K1940-E2070 WeakPolarHBondContact CE-OE2 3.44Å; K1940-E2070 WeakPolarHBondContact CG-OE1 3.39Å; K1940-E2070 WeakPolarHBondContact CG-OE2 3.1Å; R2057-E2070 WeakPolarHBondContact CD-OE1 3.08Å; R2057-E2070 IonicContact NH1-OE1 2.84Å; F2066-E2070 WeakPolarHBondContact CB-OE2 3.45Å; F2066-E2070 HydrophobicContact CD1-CG 4.48Å; F2066-E2070 WeakPolarHBondContact O-CA 3.38Å; F2066-E2070 VanDerWaalsContact O-CB 3.32Å; F2066-E2070 WeakPolarHBondContact O-CB 3.29Å; F2066-E2070 VanDerWaalsContact O-CG 3.24Å; F2066-E2070 WeakPolarHBondContact O-CG 3.42Å; F2066-E2070 PolarHBondContact O-N 3.25Å; F2066-E2070 VanDerWaalsContact O-OE2 3.06Å; A2067-E2070 PolarHBondContact O-N 3.24Å; E2070-N2072 VanDerWaalsContact C-N 3.34Å; E2070-N2072 PolarHBondContact O-N 3.44Å; E2070-I2073 CarbonylContact O-C 3.38Å; E2070-I2073 PolarHBondContact O-N 3.18Å; E2070-L2074 WeakPolarHBondContact O-CA 3.2Å; E2070-L2074 WeakPolarHBondContact O-CB 3.34Å; E2070-L2074 PolarHBondContact O-N 3.03Å |
| 2071 | A | 32.5 | Very low | 31.9 | Very low | 36.2 Ų | 36.2 | 64.8 Ų | 64.8 | 30% | 0.299 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A2067 A2069 I2073 L2074 I2075 | A2067-A2071 WeakPolarHBondContact O-CA 3.34Å; A2067-A2071 WeakPolarHBondContact O-CB 3.41Å; A2067-A2071 PolarHBondContact O-N 3.18Å; A2067-A2071 VanDerWaalsContact O-N 3.17Å; A2069-A2071 VanDerWaalsContact C-N 3.32Å; A2069-A2071 PolarHBondContact O-N 3.02Å; A2071-I2073 VanDerWaalsContact C-N 3.33Å; A2071-I2073 PolarHBondContact O-N 3.07Å; A2071-L2074 WeakPolarHBondContact O-CB 3.46Å; A2071-L2074 PolarHBondContact O-N 3.21Å; A2071-I2075 HydrophobicContact CB-CD1 4.33Å; A2071-I2075 WeakPolarHBondContact O-CA 3.4Å; A2071-I2075 VanDerWaalsContact O-CB 3.27Å; A2071-I2075 WeakPolarHBondContact O-CB 3.38Å; A2071-I2075 WeakPolarHBondContact O-CD1 3.4Å; A2071-I2075 VanDerWaalsContact O-CG1 3.29Å; A2071-I2075 WeakPolarHBondContact O-CG1 3.32Å; A2071-I2075 PolarHBondContact O-N 2.97Å |
| 2072 | N | 34.2 | Very low | 32 | Very low | 67.2 Ų | 67.2 | 64.6 Ų | 64.6 | 36% | 0.359 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.2 | -33.7 | 176.3 | -78.5 | -45.3 | 0 | 0 | 0 | 112.5 | M1815 H2060 S2068 A2069 E2070 L2074 I2075 S2076 | M1815-N2072 HydrophobicContact CE-CB 3.54Å; H2060-N2072 PolarHBondContact NE2-ND2 3.04Å; S2068-N2072 VanDerWaalsContact O-CB 3.27Å; S2068-N2072 WeakPolarHBondContact O-CB 3.25Å; S2068-N2072 VanDerWaalsContact O-CG 3.26Å; S2068-N2072 PolarHBondContact O-N 3.12Å; S2068-N2072 VanDerWaalsContact O-N 3.1Å; S2068-N2072 PolarHBondContact O-ND2 3.25Å; A2069-N2072 CarbonylContact O-C 3.55Å; A2069-N2072 PolarHBondContact O-N 3.26Å; A2069-N2072 VanDerWaalsContact O-N 3.13Å; E2070-N2072 VanDerWaalsContact C-N 3.34Å; E2070-N2072 PolarHBondContact O-N 3.44Å; N2072-L2074 VanDerWaalsContact C-N 3.34Å; N2072-L2074 PolarHBondContact O-N 3.49Å; N2072-I2075 PolarHBondContact O-N 3.44Å; N2072-S2076 WeakPolarHBondContact O-CA 3.34Å; N2072-S2076 VanDerWaalsContact O-CB 3.24Å; N2072-S2076 WeakPolarHBondContact O-CB 3.4Å; N2072-S2076 PolarHBondContact O-N 2.97Å; N2072-S2076 PolarHBondContact O-OG 3.18Å; N2072-S2076 VanDerWaalsContact O-OG 3.04Å |
| 2073 | I | 35 | Very low | 32.1 | Very low | 30.2 Ų | 30.2 | 62 Ų | 62 | 16% | 0.155 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.9 | -45.6 | 172.1 | -70.6 | 162.7 | 0 | 0 | 0 | 110 | T1953 I1956 L1957 L2053 L2054 R2057 A2069 E2070 A2071 I2075 S2076 I2077 | T1953-I2073 HydrophobicContact CG2-CD1 3.67Å; T1953-I2073 HydrophobicContact CG2-CG1 3.83Å; I1956-I2073 HydrophobicContact CD1-CG2 4.17Å; I1956-I2073 HydrophobicContact CG1-CG2 4.31Å; L1957-I2073 HydrophobicContact CD1-CG1 4Å; L1957-I2073 HydrophobicContact CG-CG1 4.34Å; L2053-I2073 HydrophobicContact CD2-CG1 4.37Å; L2054-I2073 HydrophobicContact CD1-CG2 4.35Å; L2054-I2073 HydrophobicContact CD2-CB 4.45Å; L2054-I2073 HydrophobicContact CD2-CD1 3.54Å; L2054-I2073 HydrophobicContact CD2-CG1 3.69Å; L2054-I2073 HydrophobicContact CD2-CG2 3.88Å; R2057-I2073 HydrophobicContact CB-CD1 4.08Å; R2057-I2073 HydrophobicContact CB-CG1 4.48Å; R2057-I2073 HydrophobicContact CG-CD1 3.79Å; A2069-I2073 WeakPolarHBondContact O-CA 3.44Å; A2069-I2073 VanDerWaalsContact O-CB 3.28Å; A2069-I2073 WeakPolarHBondContact O-CB 3.21Å; A2069-I2073 VanDerWaalsContact O-CD1 3.29Å; A2069-I2073 WeakPolarHBondContact O-CD1 3.45Å; A2069-I2073 VanDerWaalsContact O-CG1 3.28Å; A2069-I2073 WeakPolarHBondContact O-CG1 3.13Å; A2069-I2073 PolarHBondContact O-N 3.11Å; E2070-I2073 CarbonylContact O-C 3.38Å; E2070-I2073 PolarHBondContact O-N 3.18Å; A2071-I2073 VanDerWaalsContact C-N 3.33Å; A2071-I2073 PolarHBondContact O-N 3.07Å; I2073-I2075 PolarHBondContact O-N 3.04Å; I2073-S2076 CarbonylContact O-C 3.45Å; I2073-S2076 WeakPolarHBondContact O-CB 3.44Å; I2073-S2076 PolarHBondContact O-N 3.27Å; I2073-S2076 VanDerWaalsContact O-N 3.16Å; I2073-I2077 HydrophobicContact CG2-CD1 3.66Å; I2073-I2077 HydrophobicContact CG2-CG1 4.33Å; I2073-I2077 VanDerWaalsContact O-CB 3.24Å; I2073-I2077 WeakPolarHBondContact O-CB 3.3Å; I2073-I2077 WeakPolarHBondContact O-CD1 3.12Å; I2073-I2077 VanDerWaalsContact O-CG1 3.27Å; I2073-I2077 WeakPolarHBondContact O-CG1 3.36Å; I2073-I2077 PolarHBondContact O-N 3.26Å |
| 2074 | L | 35.6 | Very low | 32.2 | Very low | 59.4 Ų | 59.4 | 61 Ų | 61 | 31% | 0.311 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.3 | -48 | 175.6 | -118.4 | 141.6 | 0 | 0 | 0 | 111.5 | N1938 T1959 G2051 E2070 A2071 N2072 S2076 I2077 L2078 | N1938-L2074 HydrophobicContact CB-CD1 4.03Å; N1938-L2074 WeakPolarHBondContact OD1-CD1 3.28Å; N1938-L2074 WeakPolarHBondContact OD1-CD2 3.39Å; N1938-L2074 WeakPolarHBondContact OD1-CG 3.23Å; T1959-L2074 HydrophobicContact CG2-CD2 3.75Å; G2051-L2074 VanDerWaalsContact C-CD1 3.48Å; G2051-L2074 VanDerWaalsContact O-CD1 3.28Å; G2051-L2074 WeakPolarHBondContact O-CD1 3.43Å; E2070-L2074 WeakPolarHBondContact O-CA 3.2Å; E2070-L2074 WeakPolarHBondContact O-CB 3.34Å; E2070-L2074 PolarHBondContact O-N 3.03Å; A2071-L2074 WeakPolarHBondContact O-CB 3.46Å; A2071-L2074 PolarHBondContact O-N 3.21Å; N2072-L2074 VanDerWaalsContact C-N 3.34Å; N2072-L2074 PolarHBondContact O-N 3.49Å; L2074-S2076 VanDerWaalsContact C-N 3.32Å; L2074-S2076 PolarHBondContact O-N 3Å; L2074-I2077 CarbonylContact O-C 3.45Å; L2074-I2077 PolarHBondContact O-N 3.13Å; L2074-L2078 HydrophobicContact CD2-CD1 3.92Å; L2074-L2078 VanDerWaalsContact CD2-CD1 3.43Å; L2074-L2078 HydrophobicContact CG-CD1 4.22Å; L2074-L2078 VanDerWaalsContact O-CB 3.31Å; L2074-L2078 WeakPolarHBondContact O-CB 3.41Å; L2074-L2078 WeakPolarHBondContact O-CD1 3.2Å; L2074-L2078 WeakPolarHBondContact O-CG 3.39Å; L2074-L2078 PolarHBondContact O-N 3.09Å |
| 2075 | I | 35.3 | Very low | 32.2 | Very low | 84.8 Ų | 84.8 | 61.3 Ų | 61.3 | 44% | 0.435 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 176.1 | -70.9 | 165.5 | 0 | 0 | 0 | 110.1 | A2071 N2072 I2073 I2077 L2078 L2079 | A2071-I2075 HydrophobicContact CB-CD1 4.33Å; A2071-I2075 WeakPolarHBondContact O-CA 3.4Å; A2071-I2075 VanDerWaalsContact O-CB 3.27Å; A2071-I2075 WeakPolarHBondContact O-CB 3.38Å; A2071-I2075 WeakPolarHBondContact O-CD1 3.4Å; A2071-I2075 VanDerWaalsContact O-CG1 3.29Å; A2071-I2075 WeakPolarHBondContact O-CG1 3.32Å; A2071-I2075 PolarHBondContact O-N 2.97Å; N2072-I2075 PolarHBondContact O-N 3.44Å; I2073-I2075 PolarHBondContact O-N 3.04Å; I2075-I2077 VanDerWaalsContact C-N 3.34Å; I2075-I2077 PolarHBondContact O-N 2.92Å; I2075-L2078 WeakPolarHBondContact O-CB 3.31Å; I2075-L2078 PolarHBondContact O-N 3.01Å; I2075-L2079 HydrophobicContact CG2-CD1 3.73Å; I2075-L2079 HydrophobicContact CG2-CG 4.28Å; I2075-L2079 WeakPolarHBondContact O-CA 3.48Å; I2075-L2079 VanDerWaalsContact O-CB 3.26Å; I2075-L2079 WeakPolarHBondContact O-CB 3.34Å; I2075-L2079 WeakPolarHBondContact O-CD1 3.39Å; I2075-L2079 VanDerWaalsContact O-CG 3.26Å; I2075-L2079 WeakPolarHBondContact O-CG 3.25Å; I2075-L2079 PolarHBondContact O-N 3.17Å |
| 2076 | S | 35.8 | Very low | 32.1 | Very low | 25.6 Ų | 25.6 | 65.3 Ų | 65.3 | 18% | 0.179 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.4 | -37.7 | 176.9 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | L1957 L2053 R2057 N2072 I2073 L2074 L2079 L2080 | L1957-S2076 VanDerWaalsContact CD2-CB 3.41Å; L2053-S2076 WeakPolarHBondContact CD2-OG 3.42Å; R2057-S2076 PolarHBondContact NH1-OG 2.88Å; N2072-S2076 WeakPolarHBondContact O-CA 3.34Å; N2072-S2076 VanDerWaalsContact O-CB 3.24Å; N2072-S2076 WeakPolarHBondContact O-CB 3.4Å; N2072-S2076 PolarHBondContact O-N 2.97Å; N2072-S2076 PolarHBondContact O-OG 3.18Å; N2072-S2076 VanDerWaalsContact O-OG 3.04Å; I2073-S2076 CarbonylContact O-C 3.45Å; I2073-S2076 WeakPolarHBondContact O-CB 3.44Å; I2073-S2076 PolarHBondContact O-N 3.27Å; I2073-S2076 VanDerWaalsContact O-N 3.16Å; L2074-S2076 VanDerWaalsContact C-N 3.32Å; L2074-S2076 PolarHBondContact O-N 3Å; S2076-L2079 CarbonylContact O-C 3.5Å; S2076-L2079 PolarHBondContact O-N 2.97Å; S2076-L2080 WeakPolarHBondContact O-CA 3.09Å; S2076-L2080 WeakPolarHBondContact O-CB 3.42Å; S2076-L2080 VanDerWaalsContact O-CD1 3.3Å; S2076-L2080 WeakPolarHBondContact O-CD1 3.32Å; S2076-L2080 VanDerWaalsContact O-CG 3.28Å; S2076-L2080 WeakPolarHBondContact O-CG 3.26Å; S2076-L2080 PolarHBondContact O-N 3.22Å |
| 2077 | I | 36.9 | Very low | 32.1 | Very low | 27.8 Ų | 27.8 | 66.3 Ų | 66.3 | 14% | 0.143 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.2 | -44.9 | 173.1 | -72 | 169.4 | 0 | 0 | 0 | 110.1 | V1937 L1960 I1963 L2050 I2073 L2074 I2075 L2079 L2080 F2081 | V1937-I2077 HydrophobicContact CG1-CD1 4.47Å; L1960-I2077 HydrophobicContact CD1-CD1 4.47Å; L1960-I2077 HydrophobicContact CD1-CG1 4.46Å; L1960-I2077 HydrophobicContact CD2-CG2 4.2Å; I1963-I2077 HydrophobicContact CD1-CG2 4.49Å; L2050-I2077 HydrophobicContact CD1-CD1 4.32Å; L2050-I2077 HydrophobicContact CD1-CG1 3.6Å; L2050-I2077 HydrophobicContact CD2-CD1 4.13Å; L2050-I2077 HydrophobicContact CD2-CG1 3.84Å; L2050-I2077 HydrophobicContact CG-CG1 4.39Å; I2073-I2077 HydrophobicContact CG2-CD1 3.66Å; I2073-I2077 HydrophobicContact CG2-CG1 4.33Å; I2073-I2077 VanDerWaalsContact O-CB 3.24Å; I2073-I2077 WeakPolarHBondContact O-CB 3.3Å; I2073-I2077 WeakPolarHBondContact O-CD1 3.12Å; I2073-I2077 VanDerWaalsContact O-CG1 3.27Å; I2073-I2077 WeakPolarHBondContact O-CG1 3.36Å; I2073-I2077 PolarHBondContact O-N 3.26Å; L2074-I2077 CarbonylContact O-C 3.45Å; L2074-I2077 PolarHBondContact O-N 3.13Å; I2075-I2077 VanDerWaalsContact C-N 3.34Å; I2075-I2077 PolarHBondContact O-N 2.92Å; I2077-L2079 VanDerWaalsContact C-N 3.33Å; I2077-L2079 PolarHBondContact O-N 3Å; I2077-L2080 CarbonylContact O-C 3.43Å; I2077-L2080 WeakPolarHBondContact O-CB 3.17Å; I2077-L2080 PolarHBondContact O-N 3.01Å; I2077-L2080 VanDerWaalsContact O-N 3.15Å; I2077-F2081 HydrophobicContact CG2-CD2 3.75Å; I2077-F2081 HydrophobicContact CG2-CE2 3.74Å; I2077-F2081 WeakPolarHBondContact O-CB 3.33Å; I2077-F2081 VanDerWaalsContact O-CD2 3.25Å; I2077-F2081 WeakPolarHBondContact O-CD2 3.3Å; I2077-F2081 PolarHBondContact O-N 3.18Å |
| 2078 | L | 35.8 | Very low | 32.2 | Very low | 77.2 Ų | 77.2 | 67.7 Ų | 67.7 | 40% | 0.404 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 173.8 | -93.5 | 144 | 0 | 0 | 0 | 111.4 | L2074 I2075 L2080 F2081 L2082 | L2074-L2078 HydrophobicContact CD2-CD1 3.92Å; L2074-L2078 VanDerWaalsContact CD2-CD1 3.43Å; L2074-L2078 HydrophobicContact CG-CD1 4.22Å; L2074-L2078 VanDerWaalsContact O-CB 3.31Å; L2074-L2078 WeakPolarHBondContact O-CB 3.41Å; L2074-L2078 WeakPolarHBondContact O-CD1 3.2Å; L2074-L2078 WeakPolarHBondContact O-CG 3.39Å; L2074-L2078 PolarHBondContact O-N 3.09Å; I2075-L2078 WeakPolarHBondContact O-CB 3.31Å; I2075-L2078 PolarHBondContact O-N 3.01Å; L2078-L2080 VanDerWaalsContact C-N 3.31Å; L2078-L2080 PolarHBondContact O-N 3.13Å; L2078-F2081 CarbonylContact O-C 3.52Å; L2078-F2081 WeakPolarHBondContact O-CB 3.5Å; L2078-F2081 PolarHBondContact O-N 3.17Å; L2078-L2082 HydrophobicContact CB-CD1 4.26Å; L2078-L2082 HydrophobicContact CD2-CD1 4.38Å; L2078-L2082 WeakPolarHBondContact O-CA 3.33Å; L2078-L2082 VanDerWaalsContact O-CB 3.26Å; L2078-L2082 WeakPolarHBondContact O-CB 3.28Å; L2078-L2082 WeakPolarHBondContact O-CD1 3.4Å; L2078-L2082 WeakPolarHBondContact O-CG 3.17Å; L2078-L2082 PolarHBondContact O-N 3.15Å; L2078-L2082 VanDerWaalsContact O-N 3.14Å |
| 2079 | L | 33.6 | Very low | 32 | Very low | 76 Ų | 76 | 69.9 Ų | 69.9 | 40% | 0.398 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.8 | -33.4 | 175.7 | -72.8 | 170.1 | 0 | 0 | 0 | 112 | Y1822 L1826 I2075 S2076 I2077 F2081 L2082 S2083 | Y1822-L2079 HydrophobicContact CD1-CB 3.86Å; Y1822-L2079 HydrophobicContact CD1-CD1 4.43Å; Y1822-L2079 HydrophobicContact CE1-CB 3.66Å; Y1822-L2079 WeakPolarHBondContact CE1-O 2.91Å; Y1822-L2079 PolarHBondContact OH-O 3.18Å; Y1822-L2079 VanDerWaalsContact OH-O 3.09Å; L1826-L2079 HydrophobicContact CD1-CD2 4.23Å; L1826-L2079 HydrophobicContact CD2-CD2 3.9Å; I2075-L2079 HydrophobicContact CG2-CD1 3.73Å; I2075-L2079 HydrophobicContact CG2-CG 4.28Å; I2075-L2079 WeakPolarHBondContact O-CA 3.48Å; I2075-L2079 VanDerWaalsContact O-CB 3.26Å; I2075-L2079 WeakPolarHBondContact O-CB 3.34Å; I2075-L2079 WeakPolarHBondContact O-CD1 3.39Å; I2075-L2079 VanDerWaalsContact O-CG 3.26Å; I2075-L2079 WeakPolarHBondContact O-CG 3.25Å; I2075-L2079 PolarHBondContact O-N 3.17Å; S2076-L2079 CarbonylContact O-C 3.5Å; S2076-L2079 PolarHBondContact O-N 2.97Å; I2077-L2079 VanDerWaalsContact C-N 3.33Å; I2077-L2079 PolarHBondContact O-N 3Å; L2079-F2081 VanDerWaalsContact C-N 3.3Å; L2079-F2081 PolarHBondContact O-N 3Å; L2079-L2082 HydrophobicContact CD2-CD1 4.35Å; L2079-L2082 WeakPolarHBondContact O-CB 3.42Å; L2079-L2082 PolarHBondContact O-N 3.35Å; L2079-S2083 WeakPolarHBondContact O-CA 3.48Å; L2079-S2083 WeakPolarHBondContact O-CB 3.22Å; L2079-S2083 PolarHBondContact O-N 3.23Å; L2079-S2083 PolarHBondContact O-OG 2.94Å |
| 2080 | L | 34.3 | Very low | 31.9 | Very low | 27.4 Ų | 27.4 | 75.5 Ų | 75.5 | 14% | 0.143 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -69.4 | -34.9 | 172.7 | -82 | 164.3 | 0 | 0 | 0 | 112.5 | Y1822 F1964 S2046 L2049 L2050 L2053 S2076 I2077 L2078 L2082 S2083 N2084 | Y1822-L2080 HydrophobicContact CE2-CD2 3.87Å; Y1822-L2080 WeakPolarHBondContact OH-CA 3.18Å; F1964-L2080 HydrophobicContact CB-CD2 3.58Å; F1964-L2080 HydrophobicContact CD1-CD2 4.21Å; F1964-L2080 HydrophobicContact CD2-CB 4.13Å; F1964-L2080 HydrophobicContact CD2-CD1 4.17Å; F1964-L2080 HydrophobicContact CD2-CD2 3.86Å; F1964-L2080 HydrophobicContact CD2-CG 4.42Å; F1964-L2080 HydrophobicContact CE2-CD1 4.45Å; F1964-L2080 HydrophobicContact CE2-CD2 4.18Å; F1964-L2080 HydrophobicContact CG-CD2 3.93Å; S2046-L2080 WeakPolarHBondContact OG-CD2 3.06Å; L2049-L2080 HydrophobicContact CD2-CD1 4.1Å; L2049-L2080 HydrophobicContact CD2-CD2 3.84Å; L2049-L2080 HydrophobicContact CD2-CG 4.3Å; L2049-L2080 HydrophobicContact CG-CD2 4.39Å; L2050-L2080 HydrophobicContact CB-CD1 4.48Å; L2050-L2080 HydrophobicContact CD1-CD1 4.14Å; L2053-L2080 HydrophobicContact CD1-CD1 3.93Å; L2053-L2080 HydrophobicContact CD1-CG 4.39Å; S2076-L2080 WeakPolarHBondContact O-CA 3.09Å; S2076-L2080 WeakPolarHBondContact O-CB 3.42Å; S2076-L2080 VanDerWaalsContact O-CD1 3.3Å; S2076-L2080 WeakPolarHBondContact O-CD1 3.32Å; S2076-L2080 VanDerWaalsContact O-CG 3.28Å; S2076-L2080 WeakPolarHBondContact O-CG 3.26Å; S2076-L2080 PolarHBondContact O-N 3.22Å; I2077-L2080 CarbonylContact O-C 3.43Å; I2077-L2080 WeakPolarHBondContact O-CB 3.17Å; I2077-L2080 PolarHBondContact O-N 3.01Å; I2077-L2080 VanDerWaalsContact O-N 3.15Å; L2078-L2080 VanDerWaalsContact C-N 3.31Å; L2078-L2080 PolarHBondContact O-N 3.13Å; L2080-L2082 VanDerWaalsContact C-N 3.26Å; L2080-L2082 PolarHBondContact O-N 3.18Å; L2080-S2083 WeakPolarHBondContact CA-OG 3.48Å; L2080-S2083 PolarHBondContact O-OG 2.93Å; L2080-N2084 WeakPolarHBondContact O-CB 3.39Å; L2080-N2084 PolarHBondContact O-N 3.25Å; L2080-N2084 PolarHBondContact O-ND2 3.2Å |
| 2081 | F | 32.5 | Very low | 32 | Very low | 72 Ų | 72 | 76.8 Ų | 76.8 | 32% | 0.316 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -73.4 | -37.8 | 171.7 | -85.1 | -68.3 | 0 | 0 | 0 | 112.3 | L1930 L1960 F1964 F1968 I2044 L2047 I2048 I2077 L2078 L2079 N2084 F2085 | L1930-F2081 HydrophobicContact CB-CZ 4.26Å; L1930-F2081 HydrophobicContact CD1-CE1 4.17Å; L1930-F2081 HydrophobicContact CD1-CZ 4.03Å; L1930-F2081 HydrophobicContact CD2-CZ 4.32Å; L1930-F2081 HydrophobicContact CG-CZ 4.43Å; L1960-F2081 HydrophobicContact CD2-CE2 4.04Å; F1964-F2081 HydrophobicContact CE1-CE1 4.26Å; F1964-F2081 AromaticContact CE1-CZ 3.98Å; F1964-F2081 HydrophobicContact CE1-CZ 3.98Å; F1964-F2081 HydrophobicContact CE2-CZ 4.42Å; F1964-F2081 HydrophobicContact CZ-CE1 4.42Å; F1964-F2081 AromaticContact CZ-CZ 3.73Å; F1964-F2081 HydrophobicContact CZ-CZ 3.73Å; F1968-F2081 HydrophobicContact CE2-CD1 4.4Å; F1968-F2081 AromaticContact CE2-CE1 3.9Å; F1968-F2081 HydrophobicContact CE2-CE1 3.9Å; F1968-F2081 HydrophobicContact CZ-CD1 4.32Å; F1968-F2081 HydrophobicContact CZ-CE1 4.07Å; I2044-F2081 HydrophobicContact CB-CE1 4.21Å; I2044-F2081 HydrophobicContact CB-CZ 4.5Å; I2044-F2081 HydrophobicContact CG1-CE1 4.08Å; I2044-F2081 HydrophobicContact CG2-CD1 4.13Å; I2044-F2081 HydrophobicContact CG2-CE1 3.67Å; I2044-F2081 HydrophobicContact CG2-CZ 4.04Å; L2047-F2081 HydrophobicContact CB-CE2 3.97Å; L2047-F2081 HydrophobicContact CB-CZ 3.69Å; L2047-F2081 HydrophobicContact CD1-CZ 3.94Å; L2047-F2081 HydrophobicContact CG-CZ 4.47Å; I2048-F2081 HydrophobicContact CD1-CD2 4.33Å; I2048-F2081 HydrophobicContact CD1-CE2 4.34Å; I2048-F2081 HydrophobicContact CG1-CD2 3.85Å; I2048-F2081 HydrophobicContact CG1-CE2 3.62Å; I2048-F2081 HydrophobicContact CG1-CZ 4.31Å; I2077-F2081 HydrophobicContact CG2-CD2 3.75Å; I2077-F2081 HydrophobicContact CG2-CE2 3.74Å; I2077-F2081 WeakPolarHBondContact O-CB 3.33Å; I2077-F2081 VanDerWaalsContact O-CD2 3.25Å; I2077-F2081 WeakPolarHBondContact O-CD2 3.3Å; I2077-F2081 PolarHBondContact O-N 3.18Å; L2078-F2081 CarbonylContact O-C 3.52Å; L2078-F2081 WeakPolarHBondContact O-CB 3.5Å; L2078-F2081 PolarHBondContact O-N 3.17Å; L2079-F2081 VanDerWaalsContact C-N 3.3Å; L2079-F2081 PolarHBondContact O-N 3Å; F2081-N2084 CarbonylContact O-C 3.55Å; F2081-N2084 WeakPolarHBondContact O-CA 3.43Å; F2081-N2084 VanDerWaalsContact O-CB 3.24Å; F2081-N2084 WeakPolarHBondContact O-CB 3.35Å; F2081-N2084 PolarHBondContact O-N 3.16Å; F2081-N2084 VanDerWaalsContact O-N 3.1Å; F2081-F2085 HydrophobicContact CD1-CD2 4.43Å; F2081-F2085 HydrophobicContact CD1-CE2 4.44Å; F2081-F2085 VanDerWaalsContact O-CD2 3.29Å; F2081-F2085 WeakPolarHBondContact O-CD2 3.32Å; F2081-F2085 PolarHBondContact O-N 2.97Å |
| 2082 | L | 30.2 | Very low | 31.9 | Very low | 107.2 Ų | 107.2 | 77.2 Ų | 77.2 | 56% | 0.561 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -74.6 | -35.3 | 179.4 | -74.8 | 164.1 | 0 | 0 | 0 | 112.8 | L2078 L2079 L2080 N2084 F2085 H2086 L2089 | L2078-L2082 HydrophobicContact CB-CD1 4.26Å; L2078-L2082 HydrophobicContact CD2-CD1 4.38Å; L2078-L2082 WeakPolarHBondContact O-CA 3.33Å; L2078-L2082 VanDerWaalsContact O-CB 3.26Å; L2078-L2082 WeakPolarHBondContact O-CB 3.28Å; L2078-L2082 WeakPolarHBondContact O-CD1 3.4Å; L2078-L2082 WeakPolarHBondContact O-CG 3.17Å; L2078-L2082 PolarHBondContact O-N 3.15Å; L2078-L2082 VanDerWaalsContact O-N 3.14Å; L2079-L2082 HydrophobicContact CD2-CD1 4.35Å; L2079-L2082 WeakPolarHBondContact O-CB 3.42Å; L2079-L2082 PolarHBondContact O-N 3.35Å; L2080-L2082 VanDerWaalsContact C-N 3.26Å; L2080-L2082 PolarHBondContact O-N 3.18Å; L2082-N2084 VanDerWaalsContact C-N 3.33Å; L2082-N2084 PolarHBondContact O-N 3.12Å; L2082-F2085 WeakPolarHBondContact O-CA 3.36Å; L2082-F2085 WeakPolarHBondContact O-CB 3.44Å; L2082-F2085 PolarHBondContact O-N 3.38Å; L2082-F2085 VanDerWaalsContact O-N 3.13Å; L2082-H2086 PolarHBondContact O-N 3.2Å; L2082-H2086 VanDerWaalsContact O-N 3.08Å; L2082-L2089 HydrophobicContact CD2-CD1 4.41Å |
| 2083 | S | 30 | Very low | 31.7 | Very low | 51 Ų | 51 | 78.7 Ų | 78.7 | 36% | 0.357 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -73.2 | -13 | 177.9 | 64.8 | 0 | 0 | 0 | 0 | 113.5 | Y1822 L2079 L2080 F2085 H2086 I2087 | Y1822-S2083 WeakPolarHBondContact OH-CB 3.45Å; Y1822-S2083 PolarHBondContact OH-OG 2.94Å; L2079-S2083 WeakPolarHBondContact O-CA 3.48Å; L2079-S2083 WeakPolarHBondContact O-CB 3.22Å; L2079-S2083 PolarHBondContact O-N 3.23Å; L2079-S2083 PolarHBondContact O-OG 2.94Å; L2080-S2083 WeakPolarHBondContact CA-OG 3.48Å; L2080-S2083 PolarHBondContact O-OG 2.93Å; S2083-F2085 VanDerWaalsContact C-N 3.3Å; S2083-F2085 PolarHBondContact O-N 2.91Å; S2083-H2086 PolarHBondContact O-N 3.06Å; S2083-I2087 WeakPolarHBondContact O-CB 3.06Å; S2083-I2087 VanDerWaalsContact O-CG1 3.3Å; S2083-I2087 WeakPolarHBondContact O-CG1 3.43Å; S2083-I2087 PolarHBondContact O-N 3.41Å |
| 2084 | N | 29.4 | Very low | 31.7 | Very low | 71.6 Ų | 71.6 | 81.2 Ų | 81.2 | 38% | 0.383 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -88.3 | 7.2 | 174.8 | -93 | -46.7 | 0 | 0 | 0 | 113.8 | F1964 S2046 L2080 F2081 L2082 H2086 N2088 | F1964-N2084 WeakPolarHBondContact CB-ND2 3.41Å; F1964-N2084 PolarHBondContact O-ND2 3.16Å; S2046-N2084 PolarHBondContact OG-ND2 3.24Å; L2080-N2084 WeakPolarHBondContact O-CB 3.39Å; L2080-N2084 PolarHBondContact O-N 3.25Å; L2080-N2084 PolarHBondContact O-ND2 3.2Å; F2081-N2084 CarbonylContact O-C 3.55Å; F2081-N2084 WeakPolarHBondContact O-CA 3.43Å; F2081-N2084 VanDerWaalsContact O-CB 3.24Å; F2081-N2084 WeakPolarHBondContact O-CB 3.35Å; F2081-N2084 PolarHBondContact O-N 3.16Å; F2081-N2084 VanDerWaalsContact O-N 3.1Å; L2082-N2084 VanDerWaalsContact C-N 3.33Å; L2082-N2084 PolarHBondContact O-N 3.12Å; N2084-H2086 VanDerWaalsContact C-N 3.27Å; N2084-H2086 PolarHBondContact O-N 3.4Å; N2084-N2088 VanDerWaalsContact O-CA 3.25Å; N2084-N2088 WeakPolarHBondContact O-CA 3.4Å; N2084-N2088 WeakPolarHBondContact O-CB 3.31Å; N2084-N2088 PolarHBondContact O-N 3.41Å |
| 2085 | F | 27.5 | Very low | 31.6 | Very low | 112.4 Ų | 112.4 | 82.6 Ų | 82.6 | 49% | 0.493 | 42% | 0.424 | S | S | . | . | trans | -91.2 | 87.7 | 172.7 | -80.8 | -84.9 | 0 | 0 | 0 | 113.3 | M1815 F1968 I2044 F2081 L2082 S2083 I2087 L2089 | M1815-F2085 HydrophobicContact CE-CZ 4.41Å; F1968-F2085 HydrophobicContact CZ-CE2 4.27Å; I2044-F2085 HydrophobicContact CD1-CE1 4.48Å; I2044-F2085 HydrophobicContact CD1-CE2 3.76Å; I2044-F2085 HydrophobicContact CD1-CZ 4.05Å; F2081-F2085 HydrophobicContact CD1-CD2 4.43Å; F2081-F2085 HydrophobicContact CD1-CE2 4.44Å; F2081-F2085 VanDerWaalsContact O-CD2 3.29Å; F2081-F2085 WeakPolarHBondContact O-CD2 3.32Å; F2081-F2085 PolarHBondContact O-N 2.97Å; L2082-F2085 WeakPolarHBondContact O-CA 3.36Å; L2082-F2085 WeakPolarHBondContact O-CB 3.44Å; L2082-F2085 PolarHBondContact O-N 3.38Å; L2082-F2085 VanDerWaalsContact O-N 3.13Å; S2083-F2085 VanDerWaalsContact C-N 3.3Å; S2083-F2085 PolarHBondContact O-N 2.91Å; F2085-I2087 VanDerWaalsContact C-N 3.34Å; F2085-I2087 HydrophobicContact CB-CB 4.48Å; F2085-I2087 HydrophobicContact CB-CD1 3.85Å; F2085-I2087 HydrophobicContact CB-CG1 3.9Å; F2085-I2087 HydrophobicContact CD1-CD1 3.41Å; F2085-I2087 VanDerWaalsContact CD1-CD1 3.41Å; F2085-I2087 HydrophobicContact CD1-CG1 3.81Å; F2085-I2087 HydrophobicContact CE1-CD1 4.1Å; F2085-I2087 HydrophobicContact CG-CD1 3.71Å; F2085-I2087 HydrophobicContact CG-CG1 4.18Å; F2085-I2087 WeakPolarHBondContact O-CG1 3.21Å; F2085-I2087 PolarHBondContact O-N 2.95Å; F2085-L2089 HydrophobicContact CD1-CD1 4.45Å; F2085-L2089 WeakPolarHBondContact O-CB 3.24Å; F2085-L2089 PolarHBondContact O-N 3.43Å | ||
| 2086 | H | 26.8 | Very low | 31.4 | Very low | 188.4 Ų | 188.4 | 81.3 Ų | 81.3 | 87% | 0.872 | 42% | 0.419 | S | S | * | . | trans | -33.7 | -7.4 | 161.4 | -81.3 | -58.9 | 0 | 0 | 0 | 116.7 | L2082 S2083 N2084 N2088 L2089 Q2090 | L2082-H2086 PolarHBondContact O-N 3.2Å; L2082-H2086 VanDerWaalsContact O-N 3.08Å; S2083-H2086 PolarHBondContact O-N 3.06Å; N2084-H2086 VanDerWaalsContact C-N 3.27Å; N2084-H2086 PolarHBondContact O-N 3.4Å; H2086-N2088 VanDerWaalsContact C-N 3.28Å; H2086-N2088 PolarHBondContact O-N 3Å; H2086-L2089 PolarHBondContact O-N 3.03Å; H2086-Q2090 PolarHBondContact O-N 3.08Å | ||
| 2087 | I | 27.1 | Very low | 31.2 | Very low | 99.8 Ų | 99.8 | 83.7 Ų | 83.7 | 51% | 0.512 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -79.5 | 99.4 | 177.8 | -54.5 | 171.7 | 0 | 0 | 0 | 109.2 | M2041 S2083 F2085 L2089 N2091 T2092 | M2041-I2087 HydrophobicContact CE-CD1 3.36Å; M2041-I2087 HydrophobicContact CE-CG1 4.35Å; S2083-I2087 WeakPolarHBondContact O-CB 3.06Å; S2083-I2087 VanDerWaalsContact O-CG1 3.3Å; S2083-I2087 WeakPolarHBondContact O-CG1 3.43Å; S2083-I2087 PolarHBondContact O-N 3.41Å; F2085-I2087 VanDerWaalsContact C-N 3.34Å; F2085-I2087 HydrophobicContact CB-CB 4.48Å; F2085-I2087 HydrophobicContact CB-CD1 3.85Å; F2085-I2087 HydrophobicContact CB-CG1 3.9Å; F2085-I2087 HydrophobicContact CD1-CD1 3.41Å; F2085-I2087 VanDerWaalsContact CD1-CD1 3.41Å; F2085-I2087 HydrophobicContact CD1-CG1 3.81Å; F2085-I2087 HydrophobicContact CE1-CD1 4.1Å; F2085-I2087 HydrophobicContact CG-CD1 3.71Å; F2085-I2087 HydrophobicContact CG-CG1 4.18Å; F2085-I2087 WeakPolarHBondContact O-CG1 3.21Å; F2085-I2087 PolarHBondContact O-N 2.95Å; I2087-L2089 WeakPolarHBondContact O-CA 3.43Å; I2087-L2089 PolarHBondContact O-N 2.86Å; I2087-N2091 WeakPolarHBondContact CG2-ND2 3.34Å; I2087-N2091 WeakPolarHBondContact O-CA 3.36Å; I2087-N2091 WeakPolarHBondContact O-CB 3.15Å; I2087-N2091 PolarHBondContact O-N 2.8Å; I2087-N2091 PolarHBondContact O-ND2 2.93Å; I2087-T2092 WeakPolarHBondContact CB-OG1 3.35Å; I2087-T2092 WeakPolarHBondContact CG2-OG1 3.38Å; I2087-T2092 PolarHBondContact O-OG1 3.45Å |
| 2088 | N | 28.8 | Very low | 31.1 | Very low | 82.4 Ų | 82.4 | 88.5 Ų | 88.5 | 44% | 0.441 | 45% | 0.453 | S | S | . | . | trans | -39.4 | 80.9 | 174.7 | -164.8 | -7.5 | 0 | 0 | 0 | 112.5 | N2084 H2086 Q2090 N2091 T2092 | N2084-N2088 VanDerWaalsContact O-CA 3.25Å; N2084-N2088 WeakPolarHBondContact O-CA 3.4Å; N2084-N2088 WeakPolarHBondContact O-CB 3.31Å; N2084-N2088 PolarHBondContact O-N 3.41Å; H2086-N2088 VanDerWaalsContact C-N 3.28Å; H2086-N2088 PolarHBondContact O-N 3Å; N2088-Q2090 PolarHBondContact O-N 3.14Å; N2088-Q2090 VanDerWaalsContact O-N 3.17Å; N2088-Q2090 WeakPolarHBondContact OD1-CB 3.48Å; N2088-Q2090 PolarHBondContact OD1-N 3.03Å; N2088-Q2090 VanDerWaalsContact OD1-N 3.17Å; N2088-N2091 HydrophobicContact CB-CB 4.27Å; N2088-N2091 PolarHBondContact ND2-ND2 2.98Å; N2088-N2091 CarbonylContact O-C 3.55Å; N2088-N2091 VanDerWaalsContact O-CA 3.29Å; N2088-N2091 WeakPolarHBondContact O-CA 3.5Å; N2088-N2091 WeakPolarHBondContact O-CB 3.27Å; N2088-N2091 PolarHBondContact O-N 3.14Å; N2088-N2091 VanDerWaalsContact O-N 3.13Å; N2088-N2091 PolarHBondContact OD1-N 2.95Å; N2088-T2092 WeakPolarHBondContact O-CA 3.34Å; N2088-T2092 WeakPolarHBondContact O-CB 3.29Å; N2088-T2092 PolarHBondContact O-N 3.01Å; N2088-T2092 VanDerWaalsContact O-N 3.12Å; N2088-T2092 PolarHBondContact O-OG1 2.94Å | ||
| 2089 | L | 27.6 | Very low | 30.9 | Very low | 96.8 Ų | 96.8 | 91.7 Ų | 91.7 | 51% | 0.507 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.3 | -34.9 | -178.6 | -152.8 | 87.8 | 0 | 0 | 0 | 111.8 | N2045 L2082 F2085 H2086 I2087 N2091 T2092 L2093 | N2045-L2089 HydrophobicContact CB-CD2 3.44Å; N2045-L2089 VanDerWaalsContact CB-CD2 3.44Å; L2082-L2089 HydrophobicContact CD2-CD1 4.41Å; F2085-L2089 HydrophobicContact CD1-CD1 4.45Å; F2085-L2089 WeakPolarHBondContact O-CB 3.24Å; F2085-L2089 PolarHBondContact O-N 3.43Å; H2086-L2089 PolarHBondContact O-N 3.03Å; I2087-L2089 WeakPolarHBondContact O-CA 3.43Å; I2087-L2089 PolarHBondContact O-N 2.86Å; L2089-N2091 VanDerWaalsContact C-N 3.34Å; L2089-N2091 PolarHBondContact O-N 3Å; L2089-T2092 PolarHBondContact O-N 3.32Å; L2089-L2093 HydrophobicContact CD2-CD1 4.19Å; L2089-L2093 HydrophobicContact CG-CD1 4.27Å; L2089-L2093 VanDerWaalsContact O-CB 3.28Å; L2089-L2093 WeakPolarHBondContact O-CB 3.37Å; L2089-L2093 PolarHBondContact O-N 3.27Å |
| 2090 | Q | 29.6 | Very low | 30.7 | Very low | 137 Ų | 137 | 92.4 Ų | 92.4 | 64% | 0.64 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -68.5 | -38.8 | 179.1 | -162.2 | 179.4 | 29.2 | 0 | 0 | 112.5 | H2086 N2088 M2094 | H2086-Q2090 PolarHBondContact O-N 3.08Å; N2088-Q2090 PolarHBondContact O-N 3.14Å; N2088-Q2090 VanDerWaalsContact O-N 3.17Å; N2088-Q2090 WeakPolarHBondContact OD1-CB 3.48Å; N2088-Q2090 PolarHBondContact OD1-N 3.03Å; N2088-Q2090 VanDerWaalsContact OD1-N 3.17Å; Q2090-M2094 WeakPolarHBondContact O-CA 3.34Å; Q2090-M2094 WeakPolarHBondContact O-CB 3.4Å; Q2090-M2094 PolarHBondContact O-N 2.81Å |
| 2091 | N | 32.9 | Very low | 30.5 | Very low | 82.8 Ų | 82.8 | 93 Ų | 93 | 44% | 0.443 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -76.2 | -30.1 | 173.4 | -87.1 | -19.4 | 0 | 0 | 0 | 112.5 | I2087 N2088 L2089 M2094 N2095 | I2087-N2091 WeakPolarHBondContact CG2-ND2 3.34Å; I2087-N2091 WeakPolarHBondContact O-CA 3.36Å; I2087-N2091 WeakPolarHBondContact O-CB 3.15Å; I2087-N2091 PolarHBondContact O-N 2.8Å; I2087-N2091 PolarHBondContact O-ND2 2.93Å; N2088-N2091 HydrophobicContact CB-CB 4.27Å; N2088-N2091 PolarHBondContact ND2-ND2 2.98Å; N2088-N2091 CarbonylContact O-C 3.55Å; N2088-N2091 VanDerWaalsContact O-CA 3.29Å; N2088-N2091 WeakPolarHBondContact O-CA 3.5Å; N2088-N2091 WeakPolarHBondContact O-CB 3.27Å; N2088-N2091 PolarHBondContact O-N 3.14Å; N2088-N2091 VanDerWaalsContact O-N 3.13Å; N2088-N2091 PolarHBondContact OD1-N 2.95Å; L2089-N2091 VanDerWaalsContact C-N 3.34Å; L2089-N2091 PolarHBondContact O-N 3Å; N2091-M2094 WeakPolarHBondContact OD1-CE 3.19Å; N2091-N2095 WeakPolarHBondContact O-CA 3.36Å; N2091-N2095 VanDerWaalsContact O-CB 3.27Å; N2091-N2095 WeakPolarHBondContact O-CB 3.38Å; N2091-N2095 VanDerWaalsContact O-CG 3.31Å; N2091-N2095 PolarHBondContact O-N 3.08Å; N2091-N2095 VanDerWaalsContact O-N 3.11Å; N2091-N2095 PolarHBondContact O-ND2 3.17Å |
| 2092 | T | 30.5 | Very low | 30.4 | Very low | 44.6 Ų | 44.6 | 96.3 Ų | 96.3 | 27% | 0.274 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.5 | -46.5 | 175.7 | -50.3 | 0 | 0 | 0 | 0 | 110.2 | I2087 N2088 L2089 M2094 N2095 V2096 | I2087-T2092 WeakPolarHBondContact CB-OG1 3.35Å; I2087-T2092 WeakPolarHBondContact CG2-OG1 3.38Å; I2087-T2092 PolarHBondContact O-OG1 3.45Å; N2088-T2092 WeakPolarHBondContact O-CA 3.34Å; N2088-T2092 WeakPolarHBondContact O-CB 3.29Å; N2088-T2092 PolarHBondContact O-N 3.01Å; N2088-T2092 VanDerWaalsContact O-N 3.12Å; N2088-T2092 PolarHBondContact O-OG1 2.94Å; L2089-T2092 PolarHBondContact O-N 3.32Å; T2092-M2094 VanDerWaalsContact C-N 3.34Å; T2092-M2094 PolarHBondContact O-N 2.9Å; T2092-N2095 CarbonylContact O-C 3.57Å; T2092-N2095 PolarHBondContact O-N 3.05Å; T2092-V2096 HydrophobicContact CG2-CG2 4.31Å; T2092-V2096 WeakPolarHBondContact O-CA 3.48Å; T2092-V2096 VanDerWaalsContact O-CB 3.28Å; T2092-V2096 WeakPolarHBondContact O-CB 3.37Å; T2092-V2096 VanDerWaalsContact O-CG2 3.25Å; T2092-V2096 WeakPolarHBondContact O-CG2 3.38Å; T2092-V2096 PolarHBondContact O-N 3.04Å |
| 2093 | L | 30.5 | Very low | 30.3 | Very low | 97.4 Ų | 97.4 | 93.4 Ų | 93.4 | 51% | 0.51 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.2 | -51 | 170.7 | -115.7 | 120.8 | 0 | 0 | 0 | 110.2 | N2045 L2089 N2095 V2096 T2097 | N2045-L2093 HydrophobicContact CB-CD1 4.47Å; L2089-L2093 HydrophobicContact CD2-CD1 4.19Å; L2089-L2093 HydrophobicContact CG-CD1 4.27Å; L2089-L2093 VanDerWaalsContact O-CB 3.28Å; L2089-L2093 WeakPolarHBondContact O-CB 3.37Å; L2089-L2093 PolarHBondContact O-N 3.27Å; L2093-N2095 VanDerWaalsContact C-N 3.32Å; L2093-N2095 PolarHBondContact O-N 3.15Å; L2093-N2095 VanDerWaalsContact O-N 3.1Å; L2093-V2096 CarbonylContact O-C 3.54Å; L2093-V2096 WeakPolarHBondContact O-CA 3.35Å; L2093-V2096 WeakPolarHBondContact O-CB 3.4Å; L2093-V2096 PolarHBondContact O-N 3.03Å; L2093-V2096 VanDerWaalsContact O-N 3.1Å; L2093-T2097 WeakPolarHBondContact O-CA 3.46Å; L2093-T2097 VanDerWaalsContact O-CB 3.29Å; L2093-T2097 WeakPolarHBondContact O-CB 3.27Å; L2093-T2097 PolarHBondContact O-N 3.06Å; L2093-T2097 PolarHBondContact O-OG1 3.32Å |
| 2094 | M | 34.7 | Very low | 30.2 | Very low | 84.2 Ų | 84.2 | 96.1 Ų | 96.1 | 42% | 0.415 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -29.5 | -179.9 | -165.5 | 164.9 | 14.7 | 0 | 0 | 113.2 | Q2090 N2091 T2092 K2098 | Q2090-M2094 WeakPolarHBondContact O-CA 3.34Å; Q2090-M2094 WeakPolarHBondContact O-CB 3.4Å; Q2090-M2094 PolarHBondContact O-N 2.81Å; N2091-M2094 WeakPolarHBondContact OD1-CE 3.19Å; T2092-M2094 VanDerWaalsContact C-N 3.34Å; T2092-M2094 PolarHBondContact O-N 2.9Å; M2094-K2098 HydrophobicContact CG-CD 4.21Å; M2094-K2098 HydrophobicContact CG-CG 4.47Å; M2094-K2098 WeakPolarHBondContact O-CA 3.31Å; M2094-K2098 WeakPolarHBondContact O-CB 3.31Å; M2094-K2098 VanDerWaalsContact O-CD 3.28Å; M2094-K2098 WeakPolarHBondContact O-CD 3.42Å; M2094-K2098 VanDerWaalsContact O-CG 3.24Å; M2094-K2098 WeakPolarHBondContact O-CG 3.39Å; M2094-K2098 PolarHBondContact O-N 2.98Å; M2094-K2098 VanDerWaalsContact O-N 3.15Å; M2094-K2098 HydrophobicContact SD-CD 4.4Å |
| 2095 | N | 34.1 | Very low | 30.1 | Very low | 87.8 Ų | 87.8 | 97.7 Ų | 97.7 | 47% | 0.47 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -80.3 | -32.7 | 171.7 | -83.4 | -33.5 | 0 | 0 | 0 | 113.1 | N2091 T2092 L2093 K2098 K2099 | N2091-N2095 WeakPolarHBondContact O-CA 3.36Å; N2091-N2095 VanDerWaalsContact O-CB 3.27Å; N2091-N2095 WeakPolarHBondContact O-CB 3.38Å; N2091-N2095 VanDerWaalsContact O-CG 3.31Å; N2091-N2095 PolarHBondContact O-N 3.08Å; N2091-N2095 VanDerWaalsContact O-N 3.11Å; N2091-N2095 PolarHBondContact O-ND2 3.17Å; T2092-N2095 CarbonylContact O-C 3.57Å; T2092-N2095 PolarHBondContact O-N 3.05Å; L2093-N2095 VanDerWaalsContact C-N 3.32Å; L2093-N2095 PolarHBondContact O-N 3.15Å; L2093-N2095 VanDerWaalsContact O-N 3.1Å; N2095-K2098 CarbonylContact O-C 3.45Å; N2095-K2098 PolarHBondContact O-N 3.08Å; N2095-K2099 WeakPolarHBondContact O-CA 3.35Å; N2095-K2099 WeakPolarHBondContact O-CB 3.33Å; N2095-K2099 WeakPolarHBondContact O-CD 3.11Å; N2095-K2099 VanDerWaalsContact O-CG 3.25Å; N2095-K2099 WeakPolarHBondContact O-CG 3.23Å; N2095-K2099 PolarHBondContact O-N 3.08Å |
| 2096 | V | 31.2 | Very low | 30 | Very low | 57.4 Ų | 57.4 | 97.6 Ų | 97.6 | 35% | 0.348 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.4 | -45.7 | 172.4 | 167.6 | 0 | 0 | 0 | 0 | 109.4 | T2092 L2093 K2098 K2099 L2100 | T2092-V2096 HydrophobicContact CG2-CG2 4.31Å; T2092-V2096 WeakPolarHBondContact O-CA 3.48Å; T2092-V2096 VanDerWaalsContact O-CB 3.28Å; T2092-V2096 WeakPolarHBondContact O-CB 3.37Å; T2092-V2096 VanDerWaalsContact O-CG2 3.25Å; T2092-V2096 WeakPolarHBondContact O-CG2 3.38Å; T2092-V2096 PolarHBondContact O-N 3.04Å; L2093-V2096 CarbonylContact O-C 3.54Å; L2093-V2096 WeakPolarHBondContact O-CA 3.35Å; L2093-V2096 WeakPolarHBondContact O-CB 3.4Å; L2093-V2096 PolarHBondContact O-N 3.03Å; L2093-V2096 VanDerWaalsContact O-N 3.1Å; V2096-K2098 VanDerWaalsContact C-N 3.34Å; V2096-K2098 PolarHBondContact O-N 3.15Å; V2096-K2099 CarbonylContact O-C 3.51Å; V2096-K2099 WeakPolarHBondContact O-CA 3.21Å; V2096-K2099 WeakPolarHBondContact O-CB 3.16Å; V2096-K2099 PolarHBondContact O-N 2.83Å; V2096-K2099 VanDerWaalsContact O-N 3.11Å; V2096-L2100 HydrophobicContact CG1-CD1 3.92Å; V2096-L2100 HydrophobicContact CG1-CG 4.43Å; V2096-L2100 WeakPolarHBondContact O-CA 3.36Å; V2096-L2100 VanDerWaalsContact O-CB 3.24Å; V2096-L2100 WeakPolarHBondContact O-CB 3.21Å; V2096-L2100 VanDerWaalsContact O-CG 3.27Å; V2096-L2100 WeakPolarHBondContact O-CG 3.43Å; V2096-L2100 PolarHBondContact O-N 3.12Å |
| 2097 | T | 32.1 | Very low | 30 | Very low | 77 Ų | 77 | 93.3 Ų | 93.3 | 47% | 0.472 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.3 | -36.3 | 172.4 | -42.3 | 0 | 0 | 0 | 0 | 111.8 | L2093 K2099 L2100 A2101 | L2093-T2097 WeakPolarHBondContact O-CA 3.46Å; L2093-T2097 VanDerWaalsContact O-CB 3.29Å; L2093-T2097 WeakPolarHBondContact O-CB 3.27Å; L2093-T2097 PolarHBondContact O-N 3.06Å; L2093-T2097 PolarHBondContact O-OG1 3.32Å; T2097-K2099 VanDerWaalsContact C-N 3.29Å; T2097-K2099 PolarHBondContact O-N 3.25Å; T2097-L2100 PolarHBondContact O-N 2.89Å; T2097-A2101 WeakPolarHBondContact O-CA 3.37Å; T2097-A2101 WeakPolarHBondContact O-CB 3.39Å; T2097-A2101 PolarHBondContact O-N 2.99Å |
| 2098 | K | 33.6 | Very low | 29.8 | Very low | 128.2 Ų | 128.2 | 92 Ų | 92 | 56% | 0.557 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -71 | -28.3 | 170.5 | -84.3 | 174.8 | 177.7 | 171.8 | 0 | 113.3 | M2094 N2095 V2096 K2102 | M2094-K2098 HydrophobicContact CG-CD 4.21Å; M2094-K2098 HydrophobicContact CG-CG 4.47Å; M2094-K2098 WeakPolarHBondContact O-CA 3.31Å; M2094-K2098 WeakPolarHBondContact O-CB 3.31Å; M2094-K2098 VanDerWaalsContact O-CD 3.28Å; M2094-K2098 WeakPolarHBondContact O-CD 3.42Å; M2094-K2098 VanDerWaalsContact O-CG 3.24Å; M2094-K2098 WeakPolarHBondContact O-CG 3.39Å; M2094-K2098 PolarHBondContact O-N 2.98Å; M2094-K2098 VanDerWaalsContact O-N 3.15Å; M2094-K2098 HydrophobicContact SD-CD 4.4Å; N2095-K2098 CarbonylContact O-C 3.45Å; N2095-K2098 PolarHBondContact O-N 3.08Å; V2096-K2098 VanDerWaalsContact C-N 3.34Å; V2096-K2098 PolarHBondContact O-N 3.15Å; K2098-K2102 WeakPolarHBondContact O-CA 3.38Å; K2098-K2102 VanDerWaalsContact O-CB 3.26Å; K2098-K2102 WeakPolarHBondContact O-CB 3.17Å; K2098-K2102 VanDerWaalsContact O-CG 3.25Å; K2098-K2102 WeakPolarHBondContact O-CG 3.34Å; K2098-K2102 PolarHBondContact O-N 3.01Å |
| 2099 | K | 32.1 | Very low | 29.5 | Very low | 143.8 Ų | 143.8 | 91.9 Ų | 91.9 | 63% | 0.625 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -83.8 | -31.1 | 174.9 | -79.1 | -178.4 | 175.3 | -171.5 | 0 | 112.5 | N2095 V2096 T2097 A2101 K2102 A2103 | N2095-K2099 WeakPolarHBondContact O-CA 3.35Å; N2095-K2099 WeakPolarHBondContact O-CB 3.33Å; N2095-K2099 WeakPolarHBondContact O-CD 3.11Å; N2095-K2099 VanDerWaalsContact O-CG 3.25Å; N2095-K2099 WeakPolarHBondContact O-CG 3.23Å; N2095-K2099 PolarHBondContact O-N 3.08Å; V2096-K2099 CarbonylContact O-C 3.51Å; V2096-K2099 WeakPolarHBondContact O-CA 3.21Å; V2096-K2099 WeakPolarHBondContact O-CB 3.16Å; V2096-K2099 PolarHBondContact O-N 2.83Å; V2096-K2099 VanDerWaalsContact O-N 3.11Å; T2097-K2099 VanDerWaalsContact C-N 3.29Å; T2097-K2099 PolarHBondContact O-N 3.25Å; K2099-A2101 VanDerWaalsContact C-N 3.3Å; K2099-K2102 CarbonylContact O-C 3.56Å; K2099-K2102 PolarHBondContact O-N 3.38Å; K2099-K2102 VanDerWaalsContact O-N 3.08Å; K2099-A2103 WeakPolarHBondContact O-CA 3.41Å; K2099-A2103 WeakPolarHBondContact O-CB 3.3Å; K2099-A2103 PolarHBondContact O-N 3.09Å |
| 2100 | L | 30.1 | Very low | 29.3 | Very low | 90.8 Ų | 90.8 | 90.3 Ų | 90.3 | 48% | 0.475 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.9 | -47.6 | 168.8 | -93.3 | 159.8 | 0 | 0 | 0 | 109.6 | V2096 T2097 K2102 A2103 I2104 | V2096-L2100 HydrophobicContact CG1-CD1 3.92Å; V2096-L2100 HydrophobicContact CG1-CG 4.43Å; V2096-L2100 WeakPolarHBondContact O-CA 3.36Å; V2096-L2100 VanDerWaalsContact O-CB 3.24Å; V2096-L2100 WeakPolarHBondContact O-CB 3.21Å; V2096-L2100 VanDerWaalsContact O-CG 3.27Å; V2096-L2100 WeakPolarHBondContact O-CG 3.43Å; V2096-L2100 PolarHBondContact O-N 3.12Å; T2097-L2100 PolarHBondContact O-N 2.89Å; L2100-K2102 VanDerWaalsContact C-N 3.33Å; L2100-K2102 PolarHBondContact O-N 2.91Å; L2100-A2103 CarbonylContact O-C 3.48Å; L2100-A2103 WeakPolarHBondContact O-CA 3.33Å; L2100-A2103 WeakPolarHBondContact O-CB 3.33Å; L2100-A2103 PolarHBondContact O-N 3.17Å; L2100-A2103 VanDerWaalsContact O-N 3.13Å; L2100-I2104 HydrophobicContact CB-CD1 4.48Å; L2100-I2104 HydrophobicContact CD2-CD1 4.06Å; L2100-I2104 VanDerWaalsContact O-CB 3.27Å; L2100-I2104 WeakPolarHBondContact O-CB 3.4Å; L2100-I2104 WeakPolarHBondContact O-CD1 3.43Å; L2100-I2104 VanDerWaalsContact O-CG1 3.26Å; L2100-I2104 WeakPolarHBondContact O-CG1 3.3Å; L2100-I2104 PolarHBondContact O-N 3.1Å |
| 2101 | A | 30.1 | Very low | 29 | Very low | 40.8 Ų | 40.8 | 89.9 Ų | 89.9 | 34% | 0.337 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.4 | -37.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T2097 K2099 A2103 H2105 | T2097-A2101 WeakPolarHBondContact O-CA 3.37Å; T2097-A2101 WeakPolarHBondContact O-CB 3.39Å; T2097-A2101 PolarHBondContact O-N 2.99Å; K2099-A2101 VanDerWaalsContact C-N 3.3Å; A2101-A2103 VanDerWaalsContact C-N 3.34Å; A2101-A2103 PolarHBondContact O-N 3.46Å; A2101-H2105 WeakPolarHBondContact O-CA 3.28Å; A2101-H2105 VanDerWaalsContact O-CB 3.26Å; A2101-H2105 WeakPolarHBondContact O-CB 3.3Å; A2101-H2105 PolarHBondContact O-CD2 2.87Å; A2101-H2105 VanDerWaalsContact O-CD2 3.26Å; A2101-H2105 PolarHBondContact O-N 3.22Å |
| 2102 | K | 28.7 | Very low | 28.6 | Very low | 140.4 Ų | 140.4 | 92.5 Ų | 92.5 | 61% | 0.61 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -72.9 | -31.4 | 170.8 | -98.7 | -171.2 | 169.7 | -170.7 | 0 | 113.7 | K2098 K2099 L2100 I2104 H2105 N2106 | K2098-K2102 WeakPolarHBondContact O-CA 3.38Å; K2098-K2102 VanDerWaalsContact O-CB 3.26Å; K2098-K2102 WeakPolarHBondContact O-CB 3.17Å; K2098-K2102 VanDerWaalsContact O-CG 3.25Å; K2098-K2102 WeakPolarHBondContact O-CG 3.34Å; K2098-K2102 PolarHBondContact O-N 3.01Å; K2099-K2102 CarbonylContact O-C 3.56Å; K2099-K2102 PolarHBondContact O-N 3.38Å; K2099-K2102 VanDerWaalsContact O-N 3.08Å; L2100-K2102 VanDerWaalsContact C-N 3.33Å; L2100-K2102 PolarHBondContact O-N 2.91Å; K2102-I2104 VanDerWaalsContact C-N 3.32Å; K2102-H2105 WeakPolarHBondContact O-CB 3.44Å; K2102-H2105 PolarHBondContact O-N 3.3Å; K2102-N2106 WeakPolarHBondContact O-CA 3.39Å; K2102-N2106 WeakPolarHBondContact O-CB 3.24Å; K2102-N2106 PolarHBondContact O-N 3.28Å; K2102-N2106 PolarHBondContact O-ND2 2.79Å; K2102-N2106 PolarHBondContact O-OD1 2.87Å |
| 2103 | A | 28.3 | Very low | 28.2 | Very low | 46.4 Ų | 46.4 | 96.7 Ų | 96.7 | 38% | 0.383 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.3 | -48.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | K2099 L2100 A2101 H2105 N2106 I2107 | K2099-A2103 WeakPolarHBondContact O-CA 3.41Å; K2099-A2103 WeakPolarHBondContact O-CB 3.3Å; K2099-A2103 PolarHBondContact O-N 3.09Å; L2100-A2103 CarbonylContact O-C 3.48Å; L2100-A2103 WeakPolarHBondContact O-CA 3.33Å; L2100-A2103 WeakPolarHBondContact O-CB 3.33Å; L2100-A2103 PolarHBondContact O-N 3.17Å; L2100-A2103 VanDerWaalsContact O-N 3.13Å; A2101-A2103 VanDerWaalsContact C-N 3.34Å; A2101-A2103 PolarHBondContact O-N 3.46Å; A2103-H2105 PolarHBondContact O-N 3.01Å; A2103-H2105 VanDerWaalsContact O-N 3.12Å; A2103-N2106 CarbonylContact O-C 3.5Å; A2103-N2106 VanDerWaalsContact O-C 3.24Å; A2103-N2106 PolarHBondContact O-N 3.25Å; A2103-N2106 VanDerWaalsContact O-N 3.09Å; A2103-I2107 HydrophobicContact CB-CD1 4.34Å; A2103-I2107 WeakPolarHBondContact O-CA 3.08Å; A2103-I2107 WeakPolarHBondContact O-CB 3.21Å; A2103-I2107 WeakPolarHBondContact O-CD1 3.23Å; A2103-I2107 WeakPolarHBondContact O-CG1 3.21Å; A2103-I2107 PolarHBondContact O-N 3.15Å; A2103-I2107 VanDerWaalsContact O-N 3.12Å |
| 2104 | I | 28.4 | Very low | 27.8 | Very low | 108.6 Ų | 108.6 | 96.7 Ų | 96.7 | 56% | 0.557 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61 | -37.8 | 174.9 | -64.8 | 163.8 | 0 | 0 | 0 | 111.6 | L2100 K2102 N2106 I2107 F2123 | L2100-I2104 HydrophobicContact CB-CD1 4.48Å; L2100-I2104 HydrophobicContact CD2-CD1 4.06Å; L2100-I2104 VanDerWaalsContact O-CB 3.27Å; L2100-I2104 WeakPolarHBondContact O-CB 3.4Å; L2100-I2104 WeakPolarHBondContact O-CD1 3.43Å; L2100-I2104 VanDerWaalsContact O-CG1 3.26Å; L2100-I2104 WeakPolarHBondContact O-CG1 3.3Å; L2100-I2104 PolarHBondContact O-N 3.1Å; K2102-I2104 VanDerWaalsContact C-N 3.32Å; I2104-N2106 VanDerWaalsContact C-N 3.27Å; I2104-N2106 PolarHBondContact O-N 3.42Å; I2104-I2107 WeakPolarHBondContact O-CB 3.21Å; I2104-I2107 PolarHBondContact O-N 3.43Å; I2104-F2123 HydrophobicContact CD1-CE2 4.36Å; I2104-F2123 HydrophobicContact CD1-CZ 4.12Å; I2104-F2123 HydrophobicContact CG1-CE2 4.13Å; I2104-F2123 HydrophobicContact CG1-CZ 4.4Å; I2104-F2123 HydrophobicContact CG2-CD2 4.26Å; I2104-F2123 HydrophobicContact CG2-CE2 4.06Å; I2104-F2123 HydrophobicContact CG2-CZ 4.33Å |
| 2105 | H | 26.9 | Very low | 27.2 | Very low | 104.8 Ų | 104.8 | 99.9 Ų | 99.9 | 49% | 0.485 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -79.7 | -25.6 | 175.8 | -107.3 | -59.6 | 0 | 0 | 0 | 114.6 | A2101 K2102 A2103 I2152 S2154 S2238 | A2101-H2105 WeakPolarHBondContact O-CA 3.28Å; A2101-H2105 VanDerWaalsContact O-CB 3.26Å; A2101-H2105 WeakPolarHBondContact O-CB 3.3Å; A2101-H2105 PolarHBondContact O-CD2 2.87Å; A2101-H2105 VanDerWaalsContact O-CD2 3.26Å; A2101-H2105 PolarHBondContact O-N 3.22Å; K2102-H2105 WeakPolarHBondContact O-CB 3.44Å; K2102-H2105 PolarHBondContact O-N 3.3Å; A2103-H2105 PolarHBondContact O-N 3.01Å; A2103-H2105 VanDerWaalsContact O-N 3.12Å; H2105-I2152 WeakPolarHBondContact O-CG2 3.44Å; H2105-S2154 WeakPolarHBondContact CE1-CB 3.35Å; H2105-S2238 PolarHBondContact CE1-O 3.28Å; H2105-S2238 WeakPolarHBondContact NE2-CA 3.48Å; H2105-S2238 PolarHBondContact NE2-O 2.84Å |
| 2106 | N | 26.7 | Very low | 26.6 | Very low | 109.8 Ų | 109.8 | 101 Ų | 101 | 59% | 0.587 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -95.2 | -3.2 | 175.9 | -66.7 | -1.6 | 0 | 0 | 0 | 112.5 | K2102 A2103 I2104 N2108 | K2102-N2106 WeakPolarHBondContact O-CA 3.39Å; K2102-N2106 WeakPolarHBondContact O-CB 3.24Å; K2102-N2106 PolarHBondContact O-N 3.28Å; K2102-N2106 PolarHBondContact O-ND2 2.79Å; K2102-N2106 PolarHBondContact O-OD1 2.87Å; A2103-N2106 CarbonylContact O-C 3.5Å; A2103-N2106 VanDerWaalsContact O-C 3.24Å; A2103-N2106 PolarHBondContact O-N 3.25Å; A2103-N2106 VanDerWaalsContact O-N 3.09Å; I2104-N2106 VanDerWaalsContact C-N 3.27Å; I2104-N2106 PolarHBondContact O-N 3.42Å; N2106-N2108 VanDerWaalsContact C-N 3.33Å; N2106-N2108 PolarHBondContact O-N 3.14Å; N2106-N2108 VanDerWaalsContact O-N 3.09Å |
| 2107 | I | 25 | Very low | 26.1 | Very low | 97.8 Ų | 97.8 | 104.8 Ų | 104.8 | 50% | 0.502 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -66.9 | 92.7 | 159.6 | -68.7 | 168.9 | 0 | 0 | 0 | 105.3 | A2103 I2104 P2109 L2111 | A2103-I2107 HydrophobicContact CB-CD1 4.34Å; A2103-I2107 WeakPolarHBondContact O-CA 3.08Å; A2103-I2107 WeakPolarHBondContact O-CB 3.21Å; A2103-I2107 WeakPolarHBondContact O-CD1 3.23Å; A2103-I2107 WeakPolarHBondContact O-CG1 3.21Å; A2103-I2107 PolarHBondContact O-N 3.15Å; A2103-I2107 VanDerWaalsContact O-N 3.12Å; I2104-I2107 WeakPolarHBondContact O-CB 3.21Å; I2104-I2107 PolarHBondContact O-N 3.43Å; I2107-P2109 WeakPolarHBondContact O-CD 3.24Å; I2107-L2111 HydrophobicContact CG2-CB 3.5Å; I2107-L2111 HydrophobicContact CG2-CD1 4.16Å; I2107-L2111 HydrophobicContact CG2-CG 4.28Å |
| 2108 | N | 24 | Very low | 25.5 | Very low | 74.2 Ų | 74.2 | 109.2 Ų | 109.2 | 40% | 0.397 | 57% | 0.571 | S | S | . | * | trans | -40.3 | 115.1 | 174 | -142.5 | 8 | 0 | 0 | 0 | 109.4 | N2106 S2110 L2111 S2154 | N2106-N2108 VanDerWaalsContact C-N 3.33Å; N2106-N2108 PolarHBondContact O-N 3.14Å; N2106-N2108 VanDerWaalsContact O-N 3.09Å; N2108-S2110 WeakPolarHBondContact CB-OG 2.94Å; N2108-S2110 PolarHBondContact ND2-OG 3.07Å; N2108-S2110 CarbonylContact O-C 3.42Å; N2108-S2110 PolarHBondContact O-N 3.13Å; N2108-S2110 VanDerWaalsContact O-N 3.1Å; N2108-S2110 PolarHBondContact OD1-OG 3.08Å; N2108-L2111 HydrophobicContact CB-CB 4.07Å; N2108-L2111 HydrophobicContact CB-CD1 4.35Å; N2108-L2111 WeakPolarHBondContact O-CA 3.37Å; N2108-L2111 WeakPolarHBondContact O-CB 3.38Å; N2108-L2111 PolarHBondContact O-N 3.03Å; N2108-S2154 WeakPolarHBondContact OD1-CB 3.38Å | ||
| 2109 | P | 22.5 | Very low | 24.9 | Very low | 78.4 Ų | 78.4 | 109.5 Ų | 109.5 | 51% | 0.509 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -63.6 | 3.3 | -179.6 | 13.6 | -19.9 | 0 | 0 | 0 | 113.8 | I2107 L2111 L2112 L2113 Y2151 S2154 | I2107-P2109 WeakPolarHBondContact O-CD 3.24Å; P2109-L2111 VanDerWaalsContact C-N 3.28Å; P2109-L2111 PolarHBondContact O-N 3.23Å; P2109-L2112 CarbonylContact O-C 3.58Å; P2109-L2112 PolarHBondContact O-N 3.11Å; P2109-L2113 PolarHBondContact O-N 3.42Å; P2109-Y2151 HydrophobicContact CB-CD1 4Å; P2109-Y2151 WeakPolarHBondContact CD-O 3.37Å; P2109-Y2151 HydrophobicContact CG-CD1 3.64Å; P2109-Y2151 HydrophobicContact CG-CG 4.25Å; P2109-Y2151 WeakPolarHBondContact CG-O 3.47Å; P2109-S2154 VanDerWaalsContact CD-CB 3.48Å; P2109-S2154 VanDerWaalsContact CD-O 3.32Å; P2109-S2154 WeakPolarHBondContact CD-O 3.47Å; P2109-S2154 WeakPolarHBondContact CD-OG 3.48Å |
| 2110 | S | 23.5 | Very low | 24.3 | Very low | 65 Ų | 65 | 106.9 Ų | 106.9 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -78.3 | -9.6 | 168.2 | 37.5 | 0 | 0 | 0 | 0 | 114.6 | N2108 L2112 L2113 N2156 | N2108-S2110 WeakPolarHBondContact CB-OG 2.94Å; N2108-S2110 PolarHBondContact ND2-OG 3.07Å; N2108-S2110 CarbonylContact O-C 3.42Å; N2108-S2110 PolarHBondContact O-N 3.13Å; N2108-S2110 VanDerWaalsContact O-N 3.1Å; N2108-S2110 PolarHBondContact OD1-OG 3.08Å; S2110-L2112 VanDerWaalsContact C-N 3.35Å; S2110-L2112 PolarHBondContact O-N 3.19Å; S2110-L2112 VanDerWaalsContact O-N 3.09Å; S2110-L2113 WeakPolarHBondContact O-CB 3.34Å; S2110-L2113 PolarHBondContact O-N 3.46Å; S2110-N2156 VanDerWaalsContact OG-CG 3.24Å; S2110-N2156 PolarHBondContact OG-ND2 2.6Å |
| 2111 | L | 23.8 | Very low | 23.9 | Very low | 128.6 Ų | 128.6 | 109.7 Ų | 109.7 | 67% | 0.673 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -91.8 | -0.1 | 176.1 | -121.6 | 131.9 | 0 | 0 | 0 | 113.8 | I2107 N2108 P2109 L2113 | I2107-L2111 HydrophobicContact CG2-CB 3.5Å; I2107-L2111 HydrophobicContact CG2-CD1 4.16Å; I2107-L2111 HydrophobicContact CG2-CG 4.28Å; N2108-L2111 HydrophobicContact CB-CB 4.07Å; N2108-L2111 HydrophobicContact CB-CD1 4.35Å; N2108-L2111 WeakPolarHBondContact O-CA 3.37Å; N2108-L2111 WeakPolarHBondContact O-CB 3.38Å; N2108-L2111 PolarHBondContact O-N 3.03Å; P2109-L2111 VanDerWaalsContact C-N 3.28Å; P2109-L2111 PolarHBondContact O-N 3.23Å; L2111-L2113 VanDerWaalsContact C-N 3.31Å; L2111-L2113 PolarHBondContact O-N 3.21Å |
| 2112 | L | 22.9 | Very low | 23.4 | Very low | 137.4 Ų | 137.4 | 110.3 Ų | 110.3 | 72% | 0.719 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -104.9 | 17.4 | 174.2 | -84.7 | 165.4 | 0 | 0 | 0 | 112.9 | P2109 S2110 C2114 | P2109-L2112 CarbonylContact O-C 3.58Å; P2109-L2112 PolarHBondContact O-N 3.11Å; S2110-L2112 VanDerWaalsContact C-N 3.35Å; S2110-L2112 PolarHBondContact O-N 3.19Å; S2110-L2112 VanDerWaalsContact O-N 3.09Å; L2112-C2114 VanDerWaalsContact C-N 3.31Å; L2112-C2114 PolarHBondContact O-N 3.15Å |
| 2113 | L | 23.5 | Very low | 23 | Very low | 132.8 Ų | 132.8 | 111.4 Ų | 111.4 | 70% | 0.695 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -123.2 | 51.6 | 169.2 | -82.9 | 166.5 | 0 | 0 | 0 | 113.1 | P2109 S2110 L2111 K2115 K2185 | P2109-L2113 PolarHBondContact O-N 3.42Å; S2110-L2113 WeakPolarHBondContact O-CB 3.34Å; S2110-L2113 PolarHBondContact O-N 3.46Å; L2111-L2113 VanDerWaalsContact C-N 3.31Å; L2111-L2113 PolarHBondContact O-N 3.21Å; L2113-K2115 PolarHBondContact O-N 3.34Å; L2113-K2185 HydrophobicContact CD2-CD 4.43Å |
| 2114 | C | 21.2 | Very low | 22.6 | Very low | 97 Ų | 97 | 113.2 Ų | 113.2 | 66% | 0.655 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -119.1 | 105.8 | 167.3 | -95.6 | 0 | 0 | 0 | 0 | 112.6 | L2112 | L2112-C2114 VanDerWaalsContact C-N 3.31Å; L2112-C2114 PolarHBondContact O-N 3.15Å |
| 2115 | K | 22.9 | Very low | 22.3 | Very low | 151.2 Ų | 151.2 | 111.7 Ų | 111.7 | 66% | 0.657 | 62% | 0.617 | S | S | * | * | trans | -48.6 | 140.2 | 144.6 | -75.8 | 176 | 177.7 | 177.6 | 0 | 114.3 | N2062 L2113 N2117 Y2118 I2119 | N2062-K2115 PolarHBondContact OD1-NZ 2.75Å; N2062-K2115 VanDerWaalsContact OD1-NZ 3.1Å; L2113-K2115 PolarHBondContact O-N 3.34Å; K2115-N2117 PolarHBondContact O-N 2.85Å; K2115-Y2118 WeakPolarHBondContact CB-O 3.41Å; K2115-I2119 VanDerWaalsContact O-CG1 3.24Å; K2115-I2119 WeakPolarHBondContact O-CG1 3.46Å | ||
| 2116 | P | 21.4 | Very low | 22.1 | Very low | 109.8 Ų | 109.8 | 112.5 Ų | 112.5 | 71% | 0.713 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -87.1 | 49.4 | -172.1 | 6.6 | 3.2 | 0 | 0 | 0 | 115.2 | Y2118 | P2116-Y2118 PolarHBondContact O-N 3.05Š|
| 2117 | N | 20.5 | Very low | 21.8 | Very low | 138.2 Ų | 138.2 | 114.1 Ų | 114.1 | 74% | 0.739 | 62% | 0.622 | S | S | * | * | trans | -108.1 | 28.5 | -168 | -94.6 | -5.7 | 0 | 0 | 0 | 115.8 | K2115 I2119 S2120 | K2115-N2117 PolarHBondContact O-N 2.85Å; N2117-I2119 PolarHBondContact ND2-N 3.38Å; N2117-S2120 VanDerWaalsContact N-N 3.17Å; N2117-S2120 WeakPolarHBondContact ND2-CA 3.23Å; N2117-S2120 PolarHBondContact ND2-N 3Å | ||
| 2118 | Y | 20.4 | Very low | 21.7 | Very low | 169.4 Ų | 169.4 | 113.8 Ų | 113.8 | 66% | 0.664 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -105.9 | 94.1 | 164.3 | -74.7 | -64.8 | 0 | 0 | 0 | 112.4 | K2115 P2116 L2557 P2558 N2561 Q2995 | K2115-Y2118 WeakPolarHBondContact CB-O 3.41Å; P2116-Y2118 PolarHBondContact O-N 3.05Å; Y2118-L2557 PolarHBondContact OH-O 3.19Å; Y2118-P2558 HydrophobicContact CE1-CB 4.12Å; Y2118-P2558 HydrophobicContact CE1-CG 4.24Å; Y2118-P2558 VanDerWaalsContact CZ-CA 3.47Å; Y2118-P2558 WeakPolarHBondContact OH-CA 3.21Å; Y2118-P2558 PolarHBondContact OH-O 3.18Å; Y2118-P2558 VanDerWaalsContact OH-O 3.1Å; Y2118-N2561 WeakPolarHBondContact CE2-ND2 3.44Å; Y2118-N2561 WeakPolarHBondContact OH-CB 3.46Å; Y2118-N2561 PolarHBondContact OH-ND2 3.46Å; Y2118-Q2995 HydrophobicContact CE1-CG 4.48Å; Y2118-Q2995 WeakPolarHBondContact OH-CG 3.16Å; Y2118-Q2995 PolarHBondContact OH-NE2 3.26Å; Y2118-Q2995 VanDerWaalsContact OH-NE2 3.08Å |
| 2119 | I | 20.3 | Very low | 21.6 | Very low | 134 Ų | 134 | 114.6 Ų | 114.6 | 69% | 0.687 | 64% | 0.635 | S | S | * | * | trans | 126.1 | 87.5 | 165.6 | -44.5 | 160.9 | 0 | 0 | 0 | 113 | L2063 K2115 N2117 L2121 | L2063-I2119 HydrophobicContact CB-CD1 3.93Å; L2063-I2119 HydrophobicContact CD2-CD1 3.64Å; L2063-I2119 HydrophobicContact CD2-CG1 3.82Å; L2063-I2119 HydrophobicContact CD2-CG2 4.21Å; L2063-I2119 HydrophobicContact CG-CD1 4.39Å; L2063-I2119 WeakPolarHBondContact O-CD1 3.46Å; K2115-I2119 VanDerWaalsContact O-CG1 3.24Å; K2115-I2119 WeakPolarHBondContact O-CG1 3.46Å; N2117-I2119 PolarHBondContact ND2-N 3.38Å; I2119-L2121 HydrophobicContact CG2-CB 4.39Å; I2119-L2121 HydrophobicContact CG2-CD1 3.89Å; I2119-L2121 HydrophobicContact CG2-CG 3.85Å; I2119-L2121 PolarHBondContact O-N 2.99Å; I2119-L2121 VanDerWaalsContact O-N 3.17Å | ||
| 2120 | S | 19.8 | Very low | 21.6 | Very low | 90.4 Ų | 90.4 | 115.8 Ų | 115.8 | 63% | 0.632 | 64% | 0.641 | S | S | * | * | trans | -113.1 | 94.1 | 161.2 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | N2117 G2122 | N2117-S2120 VanDerWaalsContact N-N 3.17Å; N2117-S2120 WeakPolarHBondContact ND2-CA 3.23Å; N2117-S2120 PolarHBondContact ND2-N 3Å; S2120-G2122 PolarHBondContact O-N 3.09Å | ||
| 2121 | L | 20.5 | Very low | 21.6 | Very low | 148.8 Ų | 148.8 | 118 Ų | 118 | 78% | 0.779 | 65% | 0.646 | S | S | * | * | trans | -72.1 | 93.8 | 160.3 | -85.3 | 149.8 | 0 | 0 | 0 | 109.6 | L2017 I2119 F2123 | L2017-L2121 HydrophobicContact CD1-CD2 3.63Å; L2017-L2121 HydrophobicContact CD1-CG 4.26Å; L2017-L2121 HydrophobicContact CD2-CD2 3.85Å; L2017-L2121 HydrophobicContact CG-CD2 4.36Å; I2119-L2121 HydrophobicContact CG2-CB 4.39Å; I2119-L2121 HydrophobicContact CG2-CD1 3.89Å; I2119-L2121 HydrophobicContact CG2-CG 3.85Å; I2119-L2121 PolarHBondContact O-N 2.99Å; I2119-L2121 VanDerWaalsContact O-N 3.17Å; L2121-F2123 PolarHBondContact O-N 3.1Å; L2121-F2123 VanDerWaalsContact O-N 3.17Å | ||
| 2122 | G | 19.7 | Very low | 21.6 | Very low | 54.2 Ų | 54.2 | 117.5 Ų | 117.5 | 56% | 0.559 | 65% | 0.645 | S | S | * | * | trans | -73 | 95.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | S2120 S2124 | S2120-G2122 PolarHBondContact O-N 3.09Å; G2122-S2124 PolarHBondContact O-N 3.27Å; G2122-S2124 PolarHBondContact O-OG 2.75Å; G2122-S2124 VanDerWaalsContact O-OG 3.1Å | ||
| 2123 | F | 20 | Very low | 21.6 | Very low | 162.4 Ų | 162.4 | 114.1 Ų | 114.1 | 71% | 0.712 | 64% | 0.636 | S | S | * | * | trans | -56 | 97.2 | 149.1 | -74.2 | -72 | 0 | 0 | 0 | 110.5 | I2104 L2121 S2125 H2126 F2127 | I2104-F2123 HydrophobicContact CD1-CE2 4.36Å; I2104-F2123 HydrophobicContact CD1-CZ 4.12Å; I2104-F2123 HydrophobicContact CG1-CE2 4.13Å; I2104-F2123 HydrophobicContact CG1-CZ 4.4Å; I2104-F2123 HydrophobicContact CG2-CD2 4.26Å; I2104-F2123 HydrophobicContact CG2-CE2 4.06Å; I2104-F2123 HydrophobicContact CG2-CZ 4.33Å; L2121-F2123 PolarHBondContact O-N 3.1Å; L2121-F2123 VanDerWaalsContact O-N 3.17Å; F2123-S2125 PolarHBondContact O-N 3.23Å; F2123-H2126 WeakPolarHBondContact CB-O 3.49Å; F2123-H2126 WeakPolarHBondContact CG-O 3.09Å; F2123-F2127 HydrophobicContact CD1-CB 3.99Å; F2123-F2127 AromaticContact CD1-CD2 3.59Å; F2123-F2127 HydrophobicContact CD1-CD2 3.59Å; F2123-F2127 HydrophobicContact CD1-CE2 4.45Å; F2123-F2127 AromaticContact CD1-CG 3.96Å; F2123-F2127 HydrophobicContact CD1-CG 3.96Å; F2123-F2127 HydrophobicContact CD2-CB 4.25Å; F2123-F2127 HydrophobicContact CE1-CB 3.53Å; F2123-F2127 HydrophobicContact CE1-CD1 4.19Å; F2123-F2127 AromaticContact CE1-CD2 3.32Å; F2123-F2127 HydrophobicContact CE1-CD2 3.32Å; F2123-F2127 HydrophobicContact CE1-CE2 4.05Å; F2123-F2127 AromaticContact CE1-CG 3.4Å; F2123-F2127 HydrophobicContact CE1-CG 3.4Å; F2123-F2127 HydrophobicContact CE2-CB 3.93Å; F2123-F2127 HydrophobicContact CG-CB 4.23Å; F2123-F2127 HydrophobicContact CZ-CB 3.56Å; F2123-F2127 HydrophobicContact CZ-CD1 4.35Å; F2123-F2127 HydrophobicContact CZ-CD2 4.18Å; F2123-F2127 AromaticContact CZ-CG 3.78Å; F2123-F2127 HydrophobicContact CZ-CG 3.78Å | ||
| 2124 | S | 21.3 | Very low | 21.5 | Very low | 84.2 Ų | 84.2 | 116.7 Ų | 116.7 | 59% | 0.589 | 64% | 0.637 | S | S | * | * | trans | -46.4 | 133.4 | 158.6 | 51 | 0 | 0 | 0 | 0 | 111.8 | E2018 G2122 H2126 F2127 | E2018-S2124 VanDerWaalsContact OE1-C 3.24Å; E2018-S2124 VanDerWaalsContact OE1-CB 3.22Å; E2018-S2124 WeakPolarHBondContact OE1-CB 3.16Å; E2018-S2124 PolarHBondContact OE1-OG 3.49Å; G2122-S2124 PolarHBondContact O-N 3.27Å; G2122-S2124 PolarHBondContact O-OG 2.75Å; G2122-S2124 VanDerWaalsContact O-OG 3.1Å; S2124-H2126 PolarHBondContact O-N 3.19Å; S2124-F2127 PolarHBondContact O-N 3.3Å | ||
| 2125 | S | 22.2 | Very low | 21.6 | Very low | 78 Ų | 78 | 117.8 Ų | 117.8 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -44.6 | 57.5 | 175.8 | 58.7 | 0 | 0 | 0 | 0 | 116 | F2123 F2127 T2128 P2129 V2192 Y2345 | F2123-S2125 PolarHBondContact O-N 3.23Å; S2125-F2127 VanDerWaalsContact CB-CD2 3.43Å; S2125-F2127 WeakPolarHBondContact O-CD2 3.41Å; S2125-F2127 WeakPolarHBondContact OG-CD2 3.43Å; S2125-F2127 WeakPolarHBondContact OG-CE2 3.45Å; S2125-T2128 PolarHBondContact O-OG1 2.98Å; S2125-T2128 VanDerWaalsContact O-OG1 3.12Å; S2125-P2129 VanDerWaalsContact O-CD 3.32Å; S2125-P2129 WeakPolarHBondContact O-CD 3.36Å; S2125-V2192 WeakPolarHBondContact OG-CG2 3.1Å; S2125-Y2345 WeakPolarHBondContact O-CE2 3.49Å |
| 2126 | H | 21.3 | Very low | 21.6 | Very low | 120.8 Ų | 120.8 | 114.4 Ų | 114.4 | 56% | 0.559 | 64% | 0.635 | S | S | * | * | trans | -136.8 | 47.3 | 171.9 | -59.3 | -46.5 | 0 | 0 | 0 | 114.1 | E2018 F2123 S2124 P2129 V2192 V2193 D2194 Y2345 | E2018-H2126 VanDerWaalsContact CD-CB 3.47Å; E2018-H2126 WeakPolarHBondContact OE1-CA 3.43Å; E2018-H2126 WeakPolarHBondContact OE1-CB 3.33Å; E2018-H2126 IonicContact OE1-CD2 3.97Å; E2018-H2126 PolarHBondContact OE1-CD2 2.9Å; E2018-H2126 VanDerWaalsContact OE1-CD2 3.3Å; E2018-H2126 IonicContact OE1-CG 2.65Å; E2018-H2126 PolarHBondContact OE1-N 3.44Å; E2018-H2126 WeakPolarHBondContact OE2-CB 3.37Å; E2018-H2126 IonicContact OE2-CD2 3.14Å; E2018-H2126 PolarHBondContact OE2-CD2 2.95Å; E2018-H2126 IonicContact OE2-CG 2.79Å; F2123-H2126 WeakPolarHBondContact CB-O 3.49Å; F2123-H2126 WeakPolarHBondContact CG-O 3.09Å; S2124-H2126 PolarHBondContact O-N 3.19Å; H2126-P2129 WeakPolarHBondContact O-CD 3.17Å; H2126-V2192 VanDerWaalsContact CE1-C 3.42Å; H2126-V2192 PolarHBondContact CE1-O 3.41Å; H2126-V2192 VanDerWaalsContact CE1-O 3.29Å; H2126-V2192 WeakPolarHBondContact NE2-CB 3.35Å; H2126-V2192 WeakPolarHBondContact NE2-CG1 3.18Å; H2126-V2193 PolarHBondContact NE2-O 3.24Å; H2126-D2194 WeakPolarHBondContact CA-OD2 3.4Å; H2126-D2194 HydrophobicContact CB-CB 4.34Å; H2126-D2194 VanDerWaalsContact CB-CG 3.45Å; H2126-D2194 WeakPolarHBondContact CB-OD1 3.5Å; H2126-D2194 IonicContact CD2-OD1 2.94Å; H2126-D2194 WeakPolarHBondContact CE1-CA 3.42Å; H2126-D2194 PolarHBondContact CE1-N 2.95Å; H2126-D2194 IonicContact CG-OD1 2.63Å; H2126-D2194 VanDerWaalsContact CG-OD1 3.29Å; H2126-D2194 IonicContact CG-OD2 2.69Å; H2126-D2194 WeakPolarHBondContact ND1-CA 3.39Å; H2126-D2194 WeakPolarHBondContact ND1-CB 3.4Å; H2126-D2194 IonicContact ND1-OD1 3.9Å; H2126-D2194 IonicContact ND1-OD2 3.29Å; H2126-Y2345 VanDerWaalsContact CA-OH 3.3Å; H2126-Y2345 WeakPolarHBondContact CA-OH 3.39Å; H2126-Y2345 HydrophobicContact CB-CE1 4.13Å; H2126-Y2345 VanDerWaalsContact CB-OH 3.28Å; H2126-Y2345 WeakPolarHBondContact CB-OH 3.39Å; H2126-Y2345 AromaticContact CE1-CD1 3.9Å; H2126-Y2345 AromaticContact CE1-CE1 3.88Å; H2126-Y2345 AromaticContact CG-CE1 3.84Å; H2126-Y2345 AromaticContact CG-CZ 3.93Å; H2126-Y2345 AromaticContact ND1-CD1 3.46Å; H2126-Y2345 WeakPolarHBondContact ND1-CD1 3.43Å; H2126-Y2345 AromaticContact ND1-CE1 3.04Å; H2126-Y2345 WeakPolarHBondContact ND1-CE1 3.06Å; H2126-Y2345 AromaticContact ND1-CE2 3.91Å; H2126-Y2345 AromaticContact ND1-CZ 3.31Å; H2126-Y2345 VanDerWaalsContact ND1-CZ 3.31Å | ||
| 2127 | F | 21.9 | Very low | 21.6 | Very low | 142.6 Ų | 142.6 | 115.2 Ų | 115.2 | 63% | 0.625 | 63% | 0.634 | S | S | * | * | trans | -129.7 | 62 | 150.2 | -96.7 | -72.8 | 0 | 0 | 0 | 114.9 | E2018 N2021 R2022 F2123 S2124 S2125 V2130 L2131 D2194 N2196 | E2018-F2127 HydrophobicContact CB-CD2 3.98Å; E2018-F2127 HydrophobicContact CB-CE2 4.39Å; E2018-F2127 HydrophobicContact CG-CB 3.95Å; E2018-F2127 HydrophobicContact CG-CD2 3.37Å; E2018-F2127 HydrophobicContact CG-CE2 4.11Å; E2018-F2127 HydrophobicContact CG-CG 4.14Å; E2018-F2127 VanDerWaalsContact O-CE2 3.27Å; E2018-F2127 WeakPolarHBondContact O-CE2 3.27Å; E2018-F2127 PolarHBondContact OE1-N 3.09Å; E2018-F2127 VanDerWaalsContact OE1-N 3.1Å; N2021-F2127 HydrophobicContact CB-CD2 4.3Å; N2021-F2127 HydrophobicContact CB-CE2 4.01Å; R2022-F2127 HydrophobicContact CB-CE2 3.85Å; R2022-F2127 HydrophobicContact CB-CZ 3.93Å; R2022-F2127 HydrophobicContact CG-CZ 4.31Å; F2123-F2127 HydrophobicContact CD1-CB 3.99Å; F2123-F2127 AromaticContact CD1-CD2 3.59Å; F2123-F2127 HydrophobicContact CD1-CD2 3.59Å; F2123-F2127 HydrophobicContact CD1-CE2 4.45Å; F2123-F2127 AromaticContact CD1-CG 3.96Å; F2123-F2127 HydrophobicContact CD1-CG 3.96Å; F2123-F2127 HydrophobicContact CD2-CB 4.25Å; F2123-F2127 HydrophobicContact CE1-CB 3.53Å; F2123-F2127 HydrophobicContact CE1-CD1 4.19Å; F2123-F2127 AromaticContact CE1-CD2 3.32Å; F2123-F2127 HydrophobicContact CE1-CD2 3.32Å; F2123-F2127 HydrophobicContact CE1-CE2 4.05Å; F2123-F2127 AromaticContact CE1-CG 3.4Å; F2123-F2127 HydrophobicContact CE1-CG 3.4Å; F2123-F2127 HydrophobicContact CE2-CB 3.93Å; F2123-F2127 HydrophobicContact CG-CB 4.23Å; F2123-F2127 HydrophobicContact CZ-CB 3.56Å; F2123-F2127 HydrophobicContact CZ-CD1 4.35Å; F2123-F2127 HydrophobicContact CZ-CD2 4.18Å; F2123-F2127 AromaticContact CZ-CG 3.78Å; F2123-F2127 HydrophobicContact CZ-CG 3.78Å; S2124-F2127 PolarHBondContact O-N 3.3Å; S2125-F2127 VanDerWaalsContact CB-CD2 3.43Å; S2125-F2127 WeakPolarHBondContact O-CD2 3.41Å; S2125-F2127 WeakPolarHBondContact OG-CD2 3.43Å; S2125-F2127 WeakPolarHBondContact OG-CE2 3.45Å; F2127-V2130 HydrophobicContact CD1-CB 3.8Å; F2127-V2130 HydrophobicContact CD1-CG1 4.18Å; F2127-V2130 HydrophobicContact CE1-CB 3.67Å; F2127-V2130 HydrophobicContact CE1-CG1 3.54Å; F2127-V2130 HydrophobicContact CE1-CG2 4.44Å; F2127-V2130 HydrophobicContact CZ-CB 4.39Å; F2127-V2130 HydrophobicContact CZ-CG1 4.13Å; F2127-V2130 PolarHBondContact O-N 2.87Å; F2127-L2131 PolarHBondContact O-N 3.24Å; F2127-D2194 PolarHBondContact N-OD2 3.43Å; F2127-N2196 WeakPolarHBondContact CD1-ND2 3.2Å; F2127-N2196 WeakPolarHBondContact CD2-ND2 3.2Å; F2127-N2196 WeakPolarHBondContact CE1-ND2 3.24Å; F2127-N2196 WeakPolarHBondContact CE1-OD1 3.49Å; F2127-N2196 WeakPolarHBondContact CE2-ND2 3.18Å; F2127-N2196 VanDerWaalsContact CG-ND2 3.34Å; F2127-N2196 WeakPolarHBondContact CG-ND2 3.47Å | ||
| 2128 | T | 21.8 | Very low | 21.7 | Very low | 92.2 Ų | 92.2 | 114.4 Ų | 114.4 | 57% | 0.566 | 63% | 0.625 | S | S | * | * | trans | -65.5 | 151.3 | 154.9 | 20.2 | 0 | 0 | 0 | 0 | 111.5 | S2125 V2130 L2131 D2132 N2196 H2200 | S2125-T2128 PolarHBondContact O-OG1 2.98Å; S2125-T2128 VanDerWaalsContact O-OG1 3.12Å; T2128-V2130 VanDerWaalsContact C-N 3.34Å; T2128-V2130 PolarHBondContact O-N 2.76Å; T2128-L2131 CarbonylContact O-C 3.52Å; T2128-L2131 PolarHBondContact O-N 3.35Å; T2128-L2131 VanDerWaalsContact O-N 3.16Å; T2128-D2132 WeakPolarHBondContact O-CB 3.45Å; T2128-D2132 PolarHBondContact O-N 3.27Å; T2128-D2132 VanDerWaalsContact O-OD2 3.08Å; T2128-N2196 VanDerWaalsContact OG1-CB 3.28Å; T2128-N2196 WeakPolarHBondContact OG1-CB 3.25Å; T2128-H2200 VanDerWaalsContact CB-CE1 3.47Å; T2128-H2200 WeakPolarHBondContact CB-CE1 3.47Å; T2128-H2200 PolarHBondContact OG1-CE1 3.35Å; T2128-H2200 PolarHBondContact OG1-ND1 3.03Å | ||
| 2129 | P | 22.2 | Very low | 21.8 | Very low | 91.6 Ų | 91.6 | 115.4 Ų | 115.4 | 60% | 0.595 | 63% | 0.633 | S | S | * | * | trans | -90.6 | 88.7 | 172.4 | 32.6 | -31.2 | 0 | 0 | 0 | 113.7 | S2125 H2126 L2131 A2133 Y2345 | S2125-P2129 VanDerWaalsContact O-CD 3.32Å; S2125-P2129 WeakPolarHBondContact O-CD 3.36Å; H2126-P2129 WeakPolarHBondContact O-CD 3.17Å; P2129-L2131 PolarHBondContact O-N 3.08Å; P2129-L2131 VanDerWaalsContact O-N 3.08Å; P2129-A2133 WeakPolarHBondContact O-CA 3.43Å; P2129-A2133 WeakPolarHBondContact O-CB 3.46Å; P2129-A2133 PolarHBondContact O-N 2.83Å; P2129-Y2345 HydrophobicContact CG-CE2 3.75Å; P2129-Y2345 WeakPolarHBondContact CG-OH 3.19Å | ||
| 2130 | V | 23.5 | Very low | 21.9 | Very low | 104 Ų | 104 | 116.1 Ų | 116.1 | 63% | 0.63 | 64% | 0.637 | S | S | * | * | trans | -106.8 | 30.9 | 163 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | F2127 T2128 D2132 A2133 W2134 N2196 | F2127-V2130 HydrophobicContact CD1-CB 3.8Å; F2127-V2130 HydrophobicContact CD1-CG1 4.18Å; F2127-V2130 HydrophobicContact CE1-CB 3.67Å; F2127-V2130 HydrophobicContact CE1-CG1 3.54Å; F2127-V2130 HydrophobicContact CE1-CG2 4.44Å; F2127-V2130 HydrophobicContact CZ-CB 4.39Å; F2127-V2130 HydrophobicContact CZ-CG1 4.13Å; F2127-V2130 PolarHBondContact O-N 2.87Å; T2128-V2130 VanDerWaalsContact C-N 3.34Å; T2128-V2130 PolarHBondContact O-N 2.76Å; V2130-D2132 PolarHBondContact O-N 2.85Å; V2130-A2133 HydrophobicContact CG1-CB 4.23Å; V2130-W2134 VanDerWaalsContact O-CB 3.24Å; V2130-W2134 WeakPolarHBondContact O-CB 3.29Å; V2130-W2134 PolarHBondContact O-N 3.42Å; V2130-N2196 VanDerWaalsContact CG2-OD1 3.27Å; V2130-N2196 WeakPolarHBondContact CG2-OD1 3.47Å | ||
| 2131 | L | 22.6 | Very low | 21.9 | Very low | 110.8 Ų | 110.8 | 121.2 Ų | 121.2 | 58% | 0.58 | 65% | 0.648 | S | S | * | * | trans | -84.2 | -7 | 170.4 | -132.4 | 96.2 | 0 | 0 | 0 | 112.3 | F2127 T2128 P2129 A2133 W2134 L2135 | F2127-L2131 PolarHBondContact O-N 3.24Å; T2128-L2131 CarbonylContact O-C 3.52Å; T2128-L2131 PolarHBondContact O-N 3.35Å; T2128-L2131 VanDerWaalsContact O-N 3.16Å; P2129-L2131 PolarHBondContact O-N 3.08Å; P2129-L2131 VanDerWaalsContact O-N 3.08Å; L2131-A2133 VanDerWaalsContact C-N 3.29Å; L2131-A2133 PolarHBondContact O-N 3.12Å; L2131-W2134 HydrophobicContact CD1-CE3 4.49Å; L2131-W2134 CarbonylContact O-C 3.58Å; L2131-W2134 WeakPolarHBondContact O-CB 3.43Å; L2131-W2134 PolarHBondContact O-N 3.35Å; L2131-L2135 WeakPolarHBondContact O-CB 3.33Å; L2131-L2135 VanDerWaalsContact O-CG 3.25Å; L2131-L2135 WeakPolarHBondContact O-CG 3.48Å; L2131-L2135 PolarHBondContact O-N 2.88Å | ||
| 2132 | D | 23.1 | Very low | 22.1 | Very low | 118.4 Ų | 118.4 | 120 Ų | 120 | 63% | 0.633 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73.1 | 3.4 | 179.5 | -68.8 | -42.9 | 0 | 0 | 0 | 113.3 | T2128 V2130 W2134 L2135 A2136 | T2128-D2132 WeakPolarHBondContact O-CB 3.45Å; T2128-D2132 PolarHBondContact O-N 3.27Å; T2128-D2132 VanDerWaalsContact O-OD2 3.08Å; V2130-D2132 PolarHBondContact O-N 2.85Å; D2132-W2134 VanDerWaalsContact C-N 3.3Å; D2132-W2134 PolarHBondContact O-N 2.77Å; D2132-L2135 PolarHBondContact O-N 3.26Å; D2132-A2136 WeakPolarHBondContact O-CB 3.47Å; D2132-A2136 PolarHBondContact O-N 2.87Å |
| 2133 | A | 22.5 | Very low | 22.2 | Very low | 64.4 Ų | 64.4 | 124.8 Ų | 124.8 | 53% | 0.532 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -82.3 | -7.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P2129 V2130 L2131 L2135 N2137 L2148 E2186 | P2129-A2133 WeakPolarHBondContact O-CA 3.43Å; P2129-A2133 WeakPolarHBondContact O-CB 3.46Å; P2129-A2133 PolarHBondContact O-N 2.83Å; V2130-A2133 HydrophobicContact CG1-CB 4.23Å; L2131-A2133 VanDerWaalsContact C-N 3.29Å; L2131-A2133 PolarHBondContact O-N 3.12Å; A2133-L2135 PolarHBondContact O-N 2.93Å; A2133-N2137 WeakPolarHBondContact O-CB 3.32Å; A2133-N2137 VanDerWaalsContact O-CG 3.31Å; A2133-N2137 PolarHBondContact O-N 2.85Å; A2133-N2137 PolarHBondContact O-ND2 2.81Å; A2133-L2148 HydrophobicContact CB-CD2 4.43Å; A2133-E2186 HydrophobicContact CB-CG 4.28Å |
| 2134 | W | 22.6 | Very low | 22.3 | Very low | 188.8 Ų | 188.8 | 120.7 Ų | 120.7 | 72% | 0.715 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -86.9 | -5.5 | 179.3 | -150.7 | 64.1 | 0 | 0 | 0 | 113.4 | Y2025 V2130 L2131 D2132 A2136 N2137 Q2138 | Y2025-W2134 VanDerWaalsContact OH-CE2 3.31Å; Y2025-W2134 PolarHBondContact OH-NE1 3.27Å; V2130-W2134 VanDerWaalsContact O-CB 3.24Å; V2130-W2134 WeakPolarHBondContact O-CB 3.29Å; V2130-W2134 PolarHBondContact O-N 3.42Å; L2131-W2134 HydrophobicContact CD1-CE3 4.49Å; L2131-W2134 CarbonylContact O-C 3.58Å; L2131-W2134 WeakPolarHBondContact O-CB 3.43Å; L2131-W2134 PolarHBondContact O-N 3.35Å; D2132-W2134 VanDerWaalsContact C-N 3.3Å; D2132-W2134 PolarHBondContact O-N 2.77Å; W2134-A2136 VanDerWaalsContact C-N 3.3Å; W2134-A2136 PolarHBondContact O-N 3.35Å; W2134-N2137 PolarHBondContact O-N 2.83Å; W2134-Q2138 VanDerWaalsContact CH2-NE2 3.27Å; W2134-Q2138 VanDerWaalsContact O-CB 3.28Å; W2134-Q2138 WeakPolarHBondContact O-CB 3.27Å; W2134-Q2138 VanDerWaalsContact O-CG 3.31Å; W2134-Q2138 WeakPolarHBondContact O-CG 3.19Å; W2134-Q2138 PolarHBondContact O-N 3.44Å |
| 2135 | L | 22.4 | Very low | 22.3 | Very low | 119.4 Ų | 119.4 | 122.4 Ų | 122.4 | 63% | 0.625 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -83.6 | 4.6 | 172.2 | -88.8 | 168.4 | 0 | 0 | 0 | 113.4 | L2131 D2132 A2133 N2137 | L2131-L2135 WeakPolarHBondContact O-CB 3.33Å; L2131-L2135 VanDerWaalsContact O-CG 3.25Å; L2131-L2135 WeakPolarHBondContact O-CG 3.48Å; L2131-L2135 PolarHBondContact O-N 2.88Å; D2132-L2135 PolarHBondContact O-N 3.26Å; A2133-L2135 PolarHBondContact O-N 2.93Å; L2135-N2137 VanDerWaalsContact C-N 3.27Å; L2135-N2137 PolarHBondContact O-N 3.07Å |
| 2136 | A | 22.6 | Very low | 22.3 | Very low | 79.2 Ų | 79.2 | 127.9 Ų | 127.9 | 66% | 0.655 | 68% | 0.684 | S | S | * | * | trans | -85.5 | 9.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D2132 W2134 Q2138 | D2132-A2136 WeakPolarHBondContact O-CB 3.47Å; D2132-A2136 PolarHBondContact O-N 2.87Å; W2134-A2136 VanDerWaalsContact C-N 3.3Å; W2134-A2136 PolarHBondContact O-N 3.35Å; A2136-Q2138 PolarHBondContact O-N 3.41Å | ||
| 2137 | N | 22.7 | Very low | 22.3 | Very low | 127.6 Ų | 127.6 | 126.2 Ų | 126.2 | 68% | 0.682 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -108.3 | 31.6 | 177.4 | -101.4 | -35.5 | 0 | 0 | 0 | 113.4 | A2133 W2134 L2135 K2139 E2186 | A2133-N2137 WeakPolarHBondContact O-CB 3.32Å; A2133-N2137 VanDerWaalsContact O-CG 3.31Å; A2133-N2137 PolarHBondContact O-N 2.85Å; A2133-N2137 PolarHBondContact O-ND2 2.81Å; W2134-N2137 PolarHBondContact O-N 2.83Å; L2135-N2137 VanDerWaalsContact C-N 3.27Å; L2135-N2137 PolarHBondContact O-N 3.07Å; N2137-K2139 PolarHBondContact O-N 3.12Å; N2137-K2139 VanDerWaalsContact O-N 3.16Å; N2137-E2186 PolarHBondContact ND2-OE1 3.16Å |
| 2138 | Q | 22.5 | Very low | 22.3 | Very low | 120.2 Ų | 120.2 | 125.8 Ų | 125.8 | 56% | 0.562 | 69% | 0.69 | S | S | * | * | trans | -84.4 | 109.5 | 175.7 | -76 | -159.1 | 16.6 | 0 | 0 | 110.7 | W2134 A2136 L2140 | W2134-Q2138 VanDerWaalsContact CH2-NE2 3.27Å; W2134-Q2138 VanDerWaalsContact O-CB 3.28Å; W2134-Q2138 WeakPolarHBondContact O-CB 3.27Å; W2134-Q2138 VanDerWaalsContact O-CG 3.31Å; W2134-Q2138 WeakPolarHBondContact O-CG 3.19Å; W2134-Q2138 PolarHBondContact O-N 3.44Å; A2136-Q2138 PolarHBondContact O-N 3.41Å; Q2138-L2140 VanDerWaalsContact C-N 3.25Å; Q2138-L2140 PolarHBondContact O-N 3.1Å | ||
| 2139 | K | 21.4 | Very low | 22.3 | Very low | 191.6 Ų | 191.6 | 126.3 Ų | 126.3 | 83% | 0.833 | 69% | 0.693 | S | S | * | * | trans | -58.8 | 80.3 | 159.5 | -72.5 | 177.8 | 179.2 | 169 | 0 | 112.4 | N2137 K2141 | N2137-K2139 PolarHBondContact O-N 3.12Å; N2137-K2139 VanDerWaalsContact O-N 3.16Å; K2139-K2141 PolarHBondContact O-N 3.35Å | ||
| 2140 | L | 22.5 | Very low | 22.3 | Very low | 148 Ų | 148 | 126.1 Ų | 126.1 | 78% | 0.775 | 69% | 0.691 | S | S | * | * | trans | -81.8 | 118.4 | 151 | -88.6 | 165.7 | 0 | 0 | 0 | 108.5 | Q2138 V2142 | Q2138-L2140 VanDerWaalsContact C-N 3.25Å; Q2138-L2140 PolarHBondContact O-N 3.1Å; L2140-V2142 PolarHBondContact O-N 3.06Å; L2140-V2142 VanDerWaalsContact O-N 3.07Å | ||
| 2141 | K | 21.3 | Very low | 22.1 | Very low | 198.2 Ų | 198.2 | 129.9 Ų | 129.9 | 86% | 0.862 | 70% | 0.696 | S | S | * | * | trans | -91.4 | 94 | 175.3 | -76.5 | 179.9 | 177.1 | -178 | 0 | 109.9 | K2139 | K2139-K2141 PolarHBondContact O-N 3.35Š| ||
| 2142 | V | 23.1 | Very low | 22 | Very low | 123.8 Ų | 123.8 | 130.7 Ų | 130.7 | 75% | 0.75 | 70% | 0.699 | S | S | * | * | trans | -157 | 119.1 | 140.4 | 178.2 | 0 | 0 | 0 | 0 | 108.6 | L2140 G2144 | L2140-V2142 PolarHBondContact O-N 3.06Å; L2140-V2142 VanDerWaalsContact O-N 3.07Å; V2142-G2144 PolarHBondContact O-N 2.81Å; V2142-G2144 VanDerWaalsContact O-N 3.09Å | ||
| 2143 | D | 23.2 | Very low | 21.9 | Very low | 154 Ų | 154 | 129.6 Ų | 129.6 | 82% | 0.824 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -22.4 | 110.5 | 175.3 | -57.5 | -51.8 | 0 | 0 | 0 | 116 | V2145 | D2143-V2145 VanDerWaalsContact C-N 3.29Å; D2143-V2145 PolarHBondContact O-N 3.06Å |
| 2144 | G | 21.7 | Very low | 21.8 | Very low | 77.8 Ų | 77.8 | 130.2 Ų | 130.2 | 80% | 0.802 | 70% | 0.701 | S | S | * | * | trans | 105.8 | 10.5 | 156 | 0 | 0 | 0 | 0 | 0 | 119.3 | V2142 | V2142-G2144 PolarHBondContact O-N 2.81Å; V2142-G2144 VanDerWaalsContact O-N 3.09Å | ||
| 2145 | V | 21.8 | Very low | 21.7 | Very low | 119.8 Ų | 119.8 | 126.5 Ų | 126.5 | 73% | 0.726 | 70% | 0.7 | S | S | * | * | trans | -100.9 | 106.4 | 171.3 | -173.5 | 0 | 0 | 0 | 0 | 114.8 | D2143 S2147 K2222 | D2143-V2145 VanDerWaalsContact C-N 3.29Å; D2143-V2145 PolarHBondContact O-N 3.06Å; V2145-S2147 PolarHBondContact O-N 3.24Å; V2145-K2222 VanDerWaalsContact CG1-NZ 3.29Å | ||
| 2146 | K | 22.4 | Very low | 21.6 | Very low | 191.8 Ų | 191.8 | 127 Ų | 127 | 83% | 0.834 | 70% | 0.703 | S | S | * | * | trans | -63.8 | 122.9 | 153.6 | -72.7 | 177.9 | -177.2 | -179.8 | 0 | 111.9 | K2222 | K2146-K2222 PolarHBondContact O-NZ 3.18Š| ||
| 2147 | S | 21.3 | Very low | 21.6 | Very low | 87 Ų | 87 | 131.5 Ų | 131.5 | 61% | 0.608 | 71% | 0.71 | S | S | * | * | trans | -118.4 | 126 | 177.8 | 164.5 | 0 | 0 | 0 | 0 | 109.2 | V2145 V2149 Q2224 | V2145-S2147 PolarHBondContact O-N 3.24Å; S2147-V2149 VanDerWaalsContact C-N 3.34Å; S2147-V2149 PolarHBondContact O-N 3.16Å; S2147-V2149 VanDerWaalsContact O-N 3.08Å; S2147-V2149 WeakPolarHBondContact OG-CG2 3.39Å; S2147-Q2224 PolarHBondContact OG-NE2 3.03Å | ||
| 2148 | L | 21.4 | Very low | 21.5 | Very low | 132.2 Ų | 132.2 | 132.4 Ų | 132.4 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | trans | -110.6 | 119.5 | 158.3 | -98.9 | 145.5 | 0 | 0 | 0 | 108.5 | A2133 P2150 Q2224 | A2133-L2148 HydrophobicContact CB-CD2 4.43Å; L2148-P2150 WeakPolarHBondContact O-CD 3.35Å; L2148-Q2224 HydrophobicContact CB-CB 4.47Å; L2148-Q2224 VanDerWaalsContact O-CD 3.24Å; L2148-Q2224 PolarHBondContact O-NE2 2.66Å | ||
| 2149 | V | 21.3 | Very low | 21.4 | Very low | 103.6 Ų | 103.6 | 132.5 Ų | 132.5 | 63% | 0.628 | 72% | 0.719 | S | S | * | * | trans | -122.9 | 119.5 | 171.9 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | S2147 Y2151 | S2147-V2149 VanDerWaalsContact C-N 3.34Å; S2147-V2149 PolarHBondContact O-N 3.16Å; S2147-V2149 VanDerWaalsContact O-N 3.08Å; S2147-V2149 WeakPolarHBondContact OG-CG2 3.39Å; V2149-Y2151 HydrophobicContact CG1-CD2 3.81Å; V2149-Y2151 HydrophobicContact CG1-CE2 4.2Å; V2149-Y2151 PolarHBondContact O-N 2.88Å | ||
| 2150 | P | 22.1 | Very low | 21.4 | Very low | 87.8 Ų | 87.8 | 131.8 Ų | 131.8 | 57% | 0.57 | 72% | 0.718 | S | S | * | * | trans | -91.7 | 143.1 | 173.7 | 28.8 | -20.5 | 0 | 0 | 0 | 111.2 | L2148 I2152 F2228 | L2148-P2150 WeakPolarHBondContact O-CD 3.35Å; P2150-I2152 PolarHBondContact O-N 3.06Å; P2150-F2228 HydrophobicContact CB-CB 3.93Å; P2150-F2228 HydrophobicContact CB-CD2 3.45Å; P2150-F2228 VanDerWaalsContact CB-CD2 3.45Å; P2150-F2228 HydrophobicContact CB-CE2 4.34Å; P2150-F2228 HydrophobicContact CB-CG 4.02Å; P2150-F2228 HydrophobicContact CG-CB 3.89Å; P2150-F2228 HydrophobicContact CG-CD2 4.3Å; P2150-F2228 HydrophobicContact CG-CG 4.39Å | ||
| 2151 | Y | 20.3 | Very low | 21.3 | Very low | 183.4 Ų | 183.4 | 132.2 Ų | 132.2 | 72% | 0.719 | 72% | 0.716 | S | S | * | * | trans | -38.5 | 130.3 | 163.7 | -119.6 | -99.7 | 0 | 0 | 0 | 114.5 | P2109 V2149 S2153 F2228 S2231 | P2109-Y2151 HydrophobicContact CB-CD1 4Å; P2109-Y2151 WeakPolarHBondContact CD-O 3.37Å; P2109-Y2151 HydrophobicContact CG-CD1 3.64Å; P2109-Y2151 HydrophobicContact CG-CG 4.25Å; P2109-Y2151 WeakPolarHBondContact CG-O 3.47Å; V2149-Y2151 HydrophobicContact CG1-CD2 3.81Å; V2149-Y2151 HydrophobicContact CG1-CE2 4.2Å; V2149-Y2151 PolarHBondContact O-N 2.88Å; Y2151-S2153 WeakPolarHBondContact CE1-OG 3.46Å; Y2151-S2153 VanDerWaalsContact CZ-CB 3.43Å; Y2151-S2153 WeakPolarHBondContact OH-CB 3.28Å; Y2151-S2153 PolarHBondContact OH-OG 2.87Å; Y2151-F2228 AromaticContact CD2-CD2 3.58Å; Y2151-F2228 HydrophobicContact CD2-CD2 3.58Å; Y2151-F2228 HydrophobicContact CD2-CE2 4.09Å; Y2151-F2228 AromaticContact CE2-CD2 3.48Å; Y2151-F2228 HydrophobicContact CE2-CD2 3.48Å; Y2151-F2228 VanDerWaalsContact CE2-CD2 3.48Å; Y2151-F2228 AromaticContact CE2-CE2 3.73Å; Y2151-F2228 HydrophobicContact CE2-CE2 3.73Å; Y2151-F2228 HydrophobicContact CE2-CG 4.48Å; Y2151-S2231 VanDerWaalsContact CE1-OG 3.28Å; Y2151-S2231 WeakPolarHBondContact CE1-OG 3.4Å; Y2151-S2231 VanDerWaalsContact CZ-CB 3.49Å; Y2151-S2231 WeakPolarHBondContact OH-CB 3.38Å; Y2151-S2231 PolarHBondContact OH-OG 3.48Å | ||
| 2152 | I | 20.6 | Very low | 21.2 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 65% | 0.651 | 71% | 0.712 | S | S | * | * | trans | -114.4 | 125.7 | 156.6 | -56.9 | 173.5 | 0 | 0 | 0 | 110.3 | H2105 P2150 S2154 | H2105-I2152 WeakPolarHBondContact O-CG2 3.44Å; P2150-I2152 PolarHBondContact O-N 3.06Å; I2152-S2154 PolarHBondContact O-N 3.48Å | ||
| 2153 | S | 20.3 | Very low | 21 | Very low | 95.8 Ų | 95.8 | 130.9 Ų | 130.9 | 67% | 0.67 | 71% | 0.709 | S | S | * | * | trans | -103.8 | 130.2 | 159.7 | 57.9 | 0 | 0 | 0 | 0 | 111.6 | Y2151 T2155 | Y2151-S2153 WeakPolarHBondContact CE1-OG 3.46Å; Y2151-S2153 VanDerWaalsContact CZ-CB 3.43Å; Y2151-S2153 WeakPolarHBondContact OH-CB 3.28Å; Y2151-S2153 PolarHBondContact OH-OG 2.87Å; S2153-T2155 VanDerWaalsContact C-N 3.3Å; S2153-T2155 PolarHBondContact O-N 3.23Å | ||
| 2154 | S | 21 | Very low | 20.9 | Very low | 76.8 Ų | 76.8 | 129.4 Ų | 129.4 | 54% | 0.537 | 70% | 0.699 | S | S | . | * | trans | -81.1 | 129.7 | 169.8 | 35.1 | 0 | 0 | 0 | 0 | 112 | H2105 N2108 P2109 I2152 N2156 | H2105-S2154 WeakPolarHBondContact CE1-CB 3.35Å; N2108-S2154 WeakPolarHBondContact OD1-CB 3.38Å; P2109-S2154 VanDerWaalsContact CD-CB 3.48Å; P2109-S2154 VanDerWaalsContact CD-O 3.32Å; P2109-S2154 WeakPolarHBondContact CD-O 3.47Å; P2109-S2154 WeakPolarHBondContact CD-OG 3.48Å; I2152-S2154 PolarHBondContact O-N 3.48Å; S2154-N2156 PolarHBondContact O-N 3.19Å | ||
| 2155 | T | 20.7 | Very low | 20.8 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 69% | 0.687 | 70% | 0.695 | S | S | * | * | trans | 65.7 | 118.5 | 147.6 | 51.7 | 0 | 0 | 0 | 0 | 116.3 | S2153 Q2157 | S2153-T2155 VanDerWaalsContact C-N 3.3Å; S2153-T2155 PolarHBondContact O-N 3.23Å; T2155-Q2157 PolarHBondContact O-N 2.88Å; T2155-Q2157 VanDerWaalsContact O-N 3.17Å | ||
| 2156 | N | 20.1 | Very low | 20.7 | Very low | 129.4 Ų | 129.4 | 131.7 Ų | 131.7 | 69% | 0.692 | 70% | 0.696 | S | S | * | * | trans | -31.9 | 102.2 | 145.1 | -64.2 | -9.9 | 0 | 0 | 0 | 113.8 | E2018 S2110 S2154 | E2018-N2156 PolarHBondContact OE1-ND2 3.49Å; S2110-N2156 VanDerWaalsContact OG-CG 3.24Å; S2110-N2156 PolarHBondContact OG-ND2 2.6Å; S2154-N2156 PolarHBondContact O-N 3.19Å | ||
| 2157 | Q | 21.5 | Very low | 20.7 | Very low | 174 Ų | 174 | 128.5 Ų | 128.5 | 81% | 0.813 | 69% | 0.687 | S | S | * | * | trans | -144.8 | 107.3 | 144.7 | -83.2 | -173.7 | -18.8 | 0 | 0 | 110.3 | T2155 | T2155-Q2157 PolarHBondContact O-N 2.88Å; T2155-Q2157 VanDerWaalsContact O-N 3.17Å | ||
| 2158 | L | 20.4 | Very low | 20.7 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 76% | 0.764 | 69% | 0.69 | S | S | * | * | trans | -80.3 | 132.9 | 154.6 | -86.6 | 142.3 | 0 | 0 | 0 | 112.7 | H2160 | L2158-H2160 PolarHBondContact O-N 3.3Å; L2158-H2160 VanDerWaalsContact O-N 3.11Å | ||
| 2159 | N | 20.7 | Very low | 20.7 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 66% | 0.658 | 68% | 0.684 | S | S | * | * | trans | 37.2 | 99.5 | 158.7 | -60.7 | -29 | 0 | 0 | 0 | 116.2 | ||||
| 2160 | H | 21.2 | Very low | 20.7 | Very low | 177.4 Ų | 177.4 | 126.6 Ų | 126.6 | 82% | 0.821 | 68% | 0.684 | S | S | * | * | -136.6 | 135.5 | 127 | -88.3 | -36.4 | 0 | 0 | 0 | 110.8 | L2158 L2162 | L2158-H2160 PolarHBondContact O-N 3.3Å; L2158-H2160 VanDerWaalsContact O-N 3.11Å; H2160-L2162 PolarHBondContact O-N 2.9Å; H2160-L2162 VanDerWaalsContact O-N 3.09Å | |||
| 2161 | H | 20.3 | Very low | 20.7 | Very low | 156 Ų | 156 | 130.6 Ų | 130.6 | 72% | 0.722 | 70% | 0.696 | S | S | * | * | trans | -66.2 | 135.1 | 176.9 | -70.4 | -91.1 | 0 | 0 | 0 | 112 | E2163 Y2180 | H2161-E2163 PolarHBondContact O-N 3.21Å; H2161-Y2180 PolarHBondContact NE2-OH 2.79Å | ||
| 2162 | L | 19.9 | Very low | 20.7 | Very low | 148.6 Ų | 148.6 | 128.2 Ų | 128.2 | 78% | 0.778 | 70% | 0.7 | S | S | * | * | trans | -112.1 | 106.6 | 149 | -98 | 149.7 | 0 | 0 | 0 | 110.2 | H2160 I2164 | H2160-L2162 PolarHBondContact O-N 2.9Å; H2160-L2162 VanDerWaalsContact O-N 3.09Å; L2162-I2164 HydrophobicContact CD2-CD1 4.18Å; L2162-I2164 HydrophobicContact CD2-CG1 4.05Å; L2162-I2164 PolarHBondContact O-N 2.88Å | ||
| 2163 | E | 19.7 | Very low | 20.7 | Very low | 145.8 Ų | 145.8 | 128.2 Ų | 128.2 | 68% | 0.681 | 71% | 0.706 | S | S | * | * | trans | -87.1 | 136.8 | 167.7 | -105.5 | 179.4 | 159.8 | 0 | 0 | 109.1 | H2161 C2165 | H2161-E2163 PolarHBondContact O-N 3.21Å; E2163-C2165 PolarHBondContact O-N 3.22Å | ||
| 2164 | I | 20.4 | Very low | 20.7 | Very low | 122.4 Ų | 122.4 | 128.1 Ų | 128.1 | 63% | 0.628 | 71% | 0.711 | S | S | * | * | trans | -102.5 | 115.1 | 163.9 | -64.3 | 166 | 0 | 0 | 0 | 109.1 | L2162 N2166 | L2162-I2164 HydrophobicContact CD2-CD1 4.18Å; L2162-I2164 HydrophobicContact CD2-CG1 4.05Å; L2162-I2164 PolarHBondContact O-N 2.88Å; I2164-N2166 VanDerWaalsContact C-N 3.27Å; I2164-N2166 HydrophobicContact CG2-CB 3.82Å; I2164-N2166 WeakPolarHBondContact CG2-ND2 3.32Å; I2164-N2166 VanDerWaalsContact CG2-OD1 3.26Å; I2164-N2166 WeakPolarHBondContact CG2-OD1 3.12Å; I2164-N2166 PolarHBondContact O-N 3.18Å | ||
| 2165 | C | 19.7 | Very low | 20.7 | Very low | 105.8 Ų | 105.8 | 132.7 Ų | 132.7 | 72% | 0.715 | 72% | 0.724 | S | S | * | * | trans | -83 | 106.3 | 158.7 | -87.6 | 0 | 0 | 0 | 0 | 110.6 | E2163 I2167 | E2163-C2165 PolarHBondContact O-N 3.22Å; C2165-I2167 VanDerWaalsContact C-N 3.26Å; C2165-I2167 PolarHBondContact O-N 3.02Å | ||
| 2166 | N | 19.3 | Very low | 20.8 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | trans | -86.8 | 97.8 | 154.4 | -83.7 | -24.6 | 0 | 0 | 0 | 110 | I2164 | I2164-N2166 VanDerWaalsContact C-N 3.27Å; I2164-N2166 HydrophobicContact CG2-CB 3.82Å; I2164-N2166 WeakPolarHBondContact CG2-ND2 3.32Å; I2164-N2166 VanDerWaalsContact CG2-OD1 3.26Å; I2164-N2166 WeakPolarHBondContact CG2-OD1 3.12Å; I2164-N2166 PolarHBondContact O-N 3.18Å | ||
| 2167 | I | 22.2 | Very low | 20.8 | Very low | 124.8 Ų | 124.8 | 133.7 Ų | 133.7 | 64% | 0.64 | 72% | 0.723 | S | S | * | * | trans | -106.2 | 111.3 | 157.9 | -59.4 | 176.8 | 0 | 0 | 0 | 107.1 | C2165 S2169 M2335 | C2165-I2167 VanDerWaalsContact C-N 3.26Å; C2165-I2167 PolarHBondContact O-N 3.02Å; I2167-S2169 VanDerWaalsContact C-N 3.27Å; I2167-S2169 WeakPolarHBondContact CG2-OG 3.28Å; I2167-S2169 PolarHBondContact O-N 3.11Å; I2167-M2335 HydrophobicContact CD1-CE 3.46Å; I2167-M2335 VanDerWaalsContact CD1-CE 3.46Å | ||
| 2168 | T | 21 | Very low | 20.8 | Very low | 111.2 Ų | 111.2 | 133.6 Ų | 133.6 | 68% | 0.682 | 72% | 0.721 | S | S | * | * | trans | -94.3 | 99.5 | 165.7 | 47.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2169 | S | 21.8 | Very low | 20.8 | Very low | 79.6 Ų | 79.6 | 133.8 Ų | 133.8 | 56% | 0.557 | 72% | 0.717 | S | S | * | * | trans | -106.9 | 137 | 159.2 | 62.6 | 0 | 0 | 0 | 0 | 109.9 | I2167 | I2167-S2169 VanDerWaalsContact C-N 3.27Å; I2167-S2169 WeakPolarHBondContact CG2-OG 3.28Å; I2167-S2169 PolarHBondContact O-N 3.11Å | ||
| 2170 | S | 21.6 | Very low | 20.9 | Very low | 90.8 Ų | 90.8 | 136.7 Ų | 136.7 | 64% | 0.635 | 72% | 0.72 | S | S | * | * | trans | -89.9 | 143.3 | 171.9 | 48 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2171 | E | 21.5 | Very low | 20.9 | Very low | 173.6 Ų | 173.6 | 135 Ų | 135 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | trans | 120.4 | 72.6 | 172.6 | -62.8 | 178 | 159.2 | 0 | 0 | 114.6 | T2173 | E2171-T2173 PolarHBondContact O-N 3.47Å; E2171-T2173 VanDerWaalsContact O-N 3.16Å | ||
| 2172 | V | 20.6 | Very low | 21.1 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 81% | 0.806 | 72% | 0.715 | S | S | * | * | trans | -116.4 | 109 | 150.1 | -179 | 0 | 0 | 0 | 0 | 108.6 | A2174 | V2172-A2174 PolarHBondContact O-N 3.15Å; V2172-A2174 VanDerWaalsContact O-N 3.16Å | ||
| 2173 | T | 21.8 | Very low | 21.2 | Very low | 126.4 Ų | 126.4 | 133.1 Ų | 133.1 | 78% | 0.775 | 71% | 0.713 | S | S | * | * | trans | -84.9 | 128.9 | 163.3 | 38 | 0 | 0 | 0 | 0 | 109.6 | E2171 E2175 | E2171-T2173 PolarHBondContact O-N 3.47Å; E2171-T2173 VanDerWaalsContact O-N 3.16Å; T2173-E2175 HydrophobicContact CG2-CG 4.45Å; T2173-E2175 PolarHBondContact O-N 3.2Å; T2173-E2175 VanDerWaalsContact O-N 3.14Å | ||
| 2174 | A | 20.5 | Very low | 21.4 | Very low | 93.6 Ų | 93.6 | 134.8 Ų | 134.8 | 77% | 0.774 | 72% | 0.718 | S | S | * | * | trans | -61.9 | 113.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V2172 K2176 | V2172-A2174 PolarHBondContact O-N 3.15Å; V2172-A2174 VanDerWaalsContact O-N 3.16Å; A2174-K2176 PolarHBondContact O-N 2.83Å | ||
| 2175 | E | 20.4 | Very low | 21.5 | Very low | 174 Ų | 174 | 134.5 Ų | 134.5 | 81% | 0.813 | 71% | 0.712 | S | S | * | * | trans | -82.2 | 133.6 | 168.7 | -68.9 | -174.4 | 139.6 | 0 | 0 | 111 | T2173 P2177 | T2173-E2175 HydrophobicContact CG2-CG 4.45Å; T2173-E2175 PolarHBondContact O-N 3.2Å; T2173-E2175 VanDerWaalsContact O-N 3.14Å; E2175-P2177 WeakPolarHBondContact O-CD 3.23Å | ||
| 2176 | K | 21.3 | Very low | 21.7 | Very low | 157.2 Ų | 157.2 | 135.4 Ų | 135.4 | 68% | 0.683 | 71% | 0.706 | S | S | * | * | trans | -20.9 | 120.9 | 166.4 | -70.8 | -178.4 | 175.9 | -178.2 | 0 | 112.4 | A2174 F2178 E2179 D2194 | A2174-K2176 PolarHBondContact O-N 2.83Å; K2176-F2178 PolarHBondContact O-N 3.07Å; K2176-F2178 VanDerWaalsContact O-N 3.13Å; K2176-E2179 VanDerWaalsContact CD-OE2 3.31Å; K2176-E2179 WeakPolarHBondContact CD-OE2 3.36Å; K2176-E2179 WeakPolarHBondContact CE-OE1 3.14Å; K2176-E2179 WeakPolarHBondContact CE-OE2 3.25Å; K2176-E2179 VanDerWaalsContact NZ-CD 3.31Å; K2176-E2179 IonicContact NZ-OE1 3.39Å; K2176-E2179 PolarHBondContact NZ-OE1 2.87Å; K2176-E2179 IonicContact NZ-OE2 2.98Å; K2176-E2179 PolarHBondContact NZ-OE2 3.02Å; K2176-D2194 IonicContact NZ-OD2 2.6Å | ||
| 2177 | P | 21.4 | Very low | 21.9 | Very low | 105.4 Ų | 105.4 | 135.4 Ų | 135.4 | 68% | 0.684 | 71% | 0.705 | S | S | * | * | trans | -66.3 | 120.3 | 166.3 | 20.3 | -20 | 0 | 0 | 0 | 109.2 | S2029 E2175 E2179 | S2029-P2177 WeakPolarHBondContact OG-CB 3.29Å; S2029-P2177 WeakPolarHBondContact OG-CG 3.45Å; E2175-P2177 WeakPolarHBondContact O-CD 3.23Å; P2177-E2179 PolarHBondContact O-N 3.27Å | ||
| 2178 | F | 20.7 | Very low | 22 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | trans | -39.7 | 121.2 | 174.7 | -90.6 | -102.5 | 0 | 0 | 0 | 111.4 | K2176 Y2180 | K2176-F2178 PolarHBondContact O-N 3.07Å; K2176-F2178 VanDerWaalsContact O-N 3.13Å; F2178-Y2180 VanDerWaalsContact C-N 3.32Å; F2178-Y2180 HydrophobicContact CB-CD2 3.85Å; F2178-Y2180 HydrophobicContact CB-CE2 4.2Å; F2178-Y2180 HydrophobicContact CB-CG 4.43Å; F2178-Y2180 AromaticContact CD1-CD2 3.8Å; F2178-Y2180 HydrophobicContact CD1-CD2 3.8Å; F2178-Y2180 AromaticContact CD1-CE2 3.63Å; F2178-Y2180 HydrophobicContact CD1-CE2 3.63Å; F2178-Y2180 HydrophobicContact CE1-CE2 4.23Å; F2178-Y2180 AromaticContact CG-CD2 3.83Å; F2178-Y2180 HydrophobicContact CG-CD2 3.83Å; F2178-Y2180 AromaticContact CG-CE2 3.89Å; F2178-Y2180 HydrophobicContact CG-CE2 3.89Å; F2178-Y2180 PolarHBondContact O-N 3.16Å; F2178-Y2180 VanDerWaalsContact O-N 3.15Å | ||
| 2179 | E | 21.2 | Very low | 22.1 | Very low | 148.2 Ų | 148.2 | 136.5 Ų | 136.5 | 69% | 0.693 | 71% | 0.711 | S | S | * | * | trans | -65.6 | 89.5 | 159.8 | -72.7 | 177.4 | 145 | 0 | 0 | 108.4 | H1988 K2176 P2177 N2181 | H1988-E2179 IonicContact CE1-OE1 3.85Å; K2176-E2179 VanDerWaalsContact CD-OE2 3.31Å; K2176-E2179 WeakPolarHBondContact CD-OE2 3.36Å; K2176-E2179 WeakPolarHBondContact CE-OE1 3.14Å; K2176-E2179 WeakPolarHBondContact CE-OE2 3.25Å; K2176-E2179 VanDerWaalsContact NZ-CD 3.31Å; K2176-E2179 IonicContact NZ-OE1 3.39Å; K2176-E2179 PolarHBondContact NZ-OE1 2.87Å; K2176-E2179 IonicContact NZ-OE2 2.98Å; K2176-E2179 PolarHBondContact NZ-OE2 3.02Å; P2177-E2179 PolarHBondContact O-N 3.27Å; E2179-N2181 PolarHBondContact O-N 3.14Å | ||
| 2180 | Y | 21.8 | Very low | 22.2 | Very low | 184.6 Ų | 184.6 | 139.5 Ų | 139.5 | 72% | 0.724 | 72% | 0.716 | S | S | * | * | trans | -84.5 | 83 | 174.3 | -119.9 | -86.1 | 0 | 0 | 0 | 109.5 | H2161 F2178 H2182 | H2161-Y2180 PolarHBondContact NE2-OH 2.79Å; F2178-Y2180 VanDerWaalsContact C-N 3.32Å; F2178-Y2180 HydrophobicContact CB-CD2 3.85Å; F2178-Y2180 HydrophobicContact CB-CE2 4.2Å; F2178-Y2180 HydrophobicContact CB-CG 4.43Å; F2178-Y2180 AromaticContact CD1-CD2 3.8Å; F2178-Y2180 HydrophobicContact CD1-CD2 3.8Å; F2178-Y2180 AromaticContact CD1-CE2 3.63Å; F2178-Y2180 HydrophobicContact CD1-CE2 3.63Å; F2178-Y2180 HydrophobicContact CE1-CE2 4.23Å; F2178-Y2180 AromaticContact CG-CD2 3.83Å; F2178-Y2180 HydrophobicContact CG-CD2 3.83Å; F2178-Y2180 AromaticContact CG-CE2 3.89Å; F2178-Y2180 HydrophobicContact CG-CE2 3.89Å; F2178-Y2180 PolarHBondContact O-N 3.16Å; F2178-Y2180 VanDerWaalsContact O-N 3.15Å; Y2180-H2182 VanDerWaalsContact C-N 3.32Å; Y2180-H2182 HydrophobicContact CD1-CB 4.09Å; Y2180-H2182 HydrophobicContact CE1-CB 4.32Å; Y2180-H2182 AromaticContact CE1-CD2 3.93Å; Y2180-H2182 PolarHBondContact O-N 2.93Å; Y2180-H2182 VanDerWaalsContact O-N 3.08Å | ||
| 2181 | N | 22.5 | Very low | 22.5 | Very low | 141.8 Ų | 141.8 | 139.4 Ų | 139.4 | 76% | 0.758 | 71% | 0.712 | S | S | * | * | trans | -65.6 | 91.6 | 175.2 | -87.6 | -38.8 | 0 | 0 | 0 | 110.1 | E2179 T2183 | E2179-N2181 PolarHBondContact O-N 3.14Å; N2181-T2183 VanDerWaalsContact C-N 3.31Å; N2181-T2183 PolarHBondContact O-N 3.22Å | ||
| 2182 | H | 23.3 | Very low | 22.8 | Very low | 144.2 Ų | 144.2 | 136.7 Ų | 136.7 | 67% | 0.668 | 71% | 0.707 | S | S | * | * | trans | -93.2 | 98.5 | 167.3 | -98.8 | -62.2 | 0 | 0 | 0 | 111.4 | Y2180 K2184 E2186 | Y2180-H2182 VanDerWaalsContact C-N 3.32Å; Y2180-H2182 HydrophobicContact CD1-CB 4.09Å; Y2180-H2182 HydrophobicContact CE1-CB 4.32Å; Y2180-H2182 AromaticContact CE1-CD2 3.93Å; Y2180-H2182 PolarHBondContact O-N 2.93Å; Y2180-H2182 VanDerWaalsContact O-N 3.08Å; H2182-K2184 HydrophobicContact CB-CG 4.26Å; H2182-K2184 PolarHBondContact O-N 3.02Å; H2182-K2184 VanDerWaalsContact O-N 3.09Å; H2182-E2186 IonicContact CE1-OE2 3.71Å; H2182-E2186 PolarHBondContact CE1-OE2 3.29Å; H2182-E2186 IonicContact ND1-OE2 2.7Å; H2182-E2186 PolarHBondContact ND1-OE2 2.85Å | ||
| 2183 | T | 23.1 | Very low | 23.4 | Very low | 120.2 Ų | 120.2 | 132.5 Ų | 132.5 | 74% | 0.737 | 68% | 0.682 | S | S | * | * | trans | -54.1 | 118.8 | 154.7 | 43.9 | 0 | 0 | 0 | 0 | 111.3 | N2181 K2185 | N2181-T2183 VanDerWaalsContact C-N 3.31Å; N2181-T2183 PolarHBondContact O-N 3.22Å; T2183-K2185 VanDerWaalsContact C-N 3.32Å; T2183-K2185 PolarHBondContact O-N 3.15Å | ||
| 2184 | K | 23.3 | Very low | 24.3 | Very low | 181.4 Ų | 181.4 | 129.2 Ų | 129.2 | 79% | 0.789 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45 | 73.8 | 179.9 | -72.4 | 175.7 | 175.5 | 176.6 | 0 | 114.3 | H2182 | H2182-K2184 HydrophobicContact CB-CG 4.26Å; H2182-K2184 PolarHBondContact O-N 3.02Å; H2182-K2184 VanDerWaalsContact O-N 3.09Å |
| 2185 | K | 23 | Very low | 25.1 | Very low | 117.4 Ų | 117.4 | 131.3 Ų | 131.3 | 51% | 0.51 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -137.6 | 37.3 | 154.8 | -88.7 | 178.6 | 169.5 | -166.1 | 0 | 114.9 | L2113 T2183 E2434 I2843 T2845 | L2113-K2185 HydrophobicContact CD2-CD 4.43Å; T2183-K2185 VanDerWaalsContact C-N 3.32Å; T2183-K2185 PolarHBondContact O-N 3.15Å; K2185-E2434 WeakPolarHBondContact CA-OE2 3.3Å; K2185-E2434 HydrophobicContact CB-CB 3.75Å; K2185-E2434 HydrophobicContact CD-CB 3.78Å; K2185-E2434 WeakPolarHBondContact CD-O 3.3Å; K2185-E2434 WeakPolarHBondContact CE-O 3.21Å; K2185-E2434 HydrophobicContact CG-CB 3.67Å; K2185-E2434 PolarHBondContact NZ-O 3.1Å; K2185-I2843 PolarHBondContact NZ-O 3.12Å; K2185-T2845 HydrophobicContact CD-CG2 4.05Å; K2185-T2845 WeakPolarHBondContact CD-OG1 3.17Å; K2185-T2845 VanDerWaalsContact CE-OG1 3.26Å; K2185-T2845 WeakPolarHBondContact CE-OG1 3.42Å; K2185-T2845 PolarHBondContact NZ-OG1 3.29Å |
| 2186 | E | 23.4 | Very low | 25.9 | Very low | 124.8 Ų | 124.8 | 126.7 Ų | 126.7 | 58% | 0.583 | 63% | 0.63 | S | S | * | * | trans | -102.7 | 49.5 | 176.6 | -78.7 | 165.4 | 178.5 | 0 | 0 | 115.1 | A2133 N2137 H2182 L2188 T2189 E2190 K2430 D2431 E2434 | A2133-E2186 HydrophobicContact CB-CG 4.28Å; N2137-E2186 PolarHBondContact ND2-OE1 3.16Å; H2182-E2186 IonicContact CE1-OE2 3.71Å; H2182-E2186 PolarHBondContact CE1-OE2 3.29Å; H2182-E2186 IonicContact ND1-OE2 2.7Å; H2182-E2186 PolarHBondContact ND1-OE2 2.85Å; E2186-L2188 VanDerWaalsContact C-N 3.25Å; E2186-L2188 PolarHBondContact O-N 2.98Å; E2186-T2189 PolarHBondContact O-N 3.26Å; E2186-T2189 PolarHBondContact O-OG1 3.24Å; E2186-E2190 PolarHBondContact O-N 3.29Å; E2186-E2190 VanDerWaalsContact O-N 3.13Å; E2186-K2430 HydrophobicContact CB-CB 3.81Å; E2186-K2430 HydrophobicContact CB-CD 4.08Å; E2186-K2430 HydrophobicContact CG-CB 3.8Å; E2186-K2430 VanDerWaalsContact O-CD 3.25Å; E2186-K2430 WeakPolarHBondContact O-CD 3.27Å; E2186-K2430 WeakPolarHBondContact OE1-CA 3.15Å; E2186-K2430 VanDerWaalsContact OE1-CB 3.28Å; E2186-K2430 WeakPolarHBondContact OE1-CB 3.05Å; E2186-K2430 PolarHBondContact OE1-N 2.18Å; E2186-D2431 HydrophobicContact CG-CB 3.73Å; E2186-D2431 VanDerWaalsContact CG-N 3.34Å; E2186-D2431 WeakPolarHBondContact OE1-CB 3.49Å; E2186-D2431 PolarHBondContact OE1-N 3.39Å; E2186-E2434 PolarHBondContact N-OE2 3.01Å | ||
| 2187 | L | 23.8 | Very low | 27 | Very low | 138.2 Ų | 138.2 | 121.1 Ų | 121.1 | 72% | 0.724 | 61% | 0.607 | S | S | * | * | trans | -105.9 | 38.6 | 165.6 | -125.9 | 132.3 | 0 | 0 | 0 | 114.7 | T2191 | L2187-T2191 PolarHBondContact O-N 3.46Å; L2187-T2191 VanDerWaalsContact O-N 3.12Å; L2187-T2191 PolarHBondContact O-OG1 2.74Å | ||
| 2188 | L | 23.6 | Very low | 28 | Very low | 150.8 Ų | 150.8 | 120.2 Ų | 120.2 | 79% | 0.79 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -115.4 | 10.4 | 166.3 | -91.2 | 163.5 | 0 | 0 | 0 | 114.4 | E2186 E2190 T2191 V2192 | E2186-L2188 VanDerWaalsContact C-N 3.25Å; E2186-L2188 PolarHBondContact O-N 2.98Å; L2188-E2190 VanDerWaalsContact C-N 3.29Å; L2188-E2190 PolarHBondContact O-N 2.85Å; L2188-T2191 PolarHBondContact O-OG1 3.26Å; L2188-V2192 WeakPolarHBondContact O-CG2 3.43Å; L2188-V2192 PolarHBondContact O-N 3.42Å |
| 2189 | T | 23.6 | Very low | 29 | Very low | 108.4 Ų | 108.4 | 115.4 Ų | 115.4 | 67% | 0.665 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -121.6 | 50 | 166.1 | 35.5 | 0 | 0 | 0 | 0 | 111.9 | E2186 T2191 V2193 I2433 | E2186-T2189 PolarHBondContact O-N 3.26Å; E2186-T2189 PolarHBondContact O-OG1 3.24Å; T2189-T2191 PolarHBondContact O-N 3.17Å; T2189-T2191 VanDerWaalsContact O-N 3.15Å; T2189-V2193 WeakPolarHBondContact O-CB 3.25Å; T2189-V2193 WeakPolarHBondContact O-CG2 3.15Å; T2189-V2193 PolarHBondContact O-N 3.1Å; T2189-I2433 HydrophobicContact CG2-CD1 4.39Å |
| 2190 | E | 24.6 | Very low | 30.3 | Very low | 142.6 Ų | 142.6 | 110.5 Ų | 110.5 | 67% | 0.666 | 55% | 0.549 | S | S | * | . | trans | -98.7 | 129.6 | 155.9 | -94.3 | 178 | 167.2 | 0 | 0 | 112.2 | E2186 L2188 V2192 V2193 D2194 W2298 K2430 | E2186-E2190 PolarHBondContact O-N 3.29Å; E2186-E2190 VanDerWaalsContact O-N 3.13Å; L2188-E2190 VanDerWaalsContact C-N 3.29Å; L2188-E2190 PolarHBondContact O-N 2.85Å; E2190-V2192 PolarHBondContact O-N 3.27Å; E2190-V2193 PolarHBondContact O-N 2.8Å; E2190-V2193 VanDerWaalsContact O-N 3.16Å; E2190-D2194 PolarHBondContact O-N 3.3Å; E2190-W2298 VanDerWaalsContact CD-CZ3 3.44Å; E2190-W2298 HydrophobicContact CG-CH2 3.99Å; E2190-W2298 HydrophobicContact CG-CZ3 4.5Å; E2190-W2298 WeakPolarHBondContact OE1-CH2 3.44Å; E2190-W2298 VanDerWaalsContact OE1-CZ3 3.31Å; E2190-W2298 WeakPolarHBondContact OE1-CZ3 3.43Å; E2190-W2298 VanDerWaalsContact OE2-CZ3 3.32Å; E2190-W2298 WeakPolarHBondContact OE2-CZ3 3.38Å; E2190-K2430 WeakPolarHBondContact OE2-CE 3.32Å; E2190-K2430 IonicContact OE2-NZ 2.66Å; E2190-K2430 PolarHBondContact OE2-NZ 2.85Å | ||
| 2191 | T | 27.5 | Very low | 31.6 | Very low | 89.8 Ų | 89.8 | 102.4 Ų | 102.4 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | trans | -85 | 96.5 | 175.4 | 45.7 | 0 | 0 | 0 | 0 | 110.6 | L2187 L2188 T2189 V2193 Y2195 K2291 | L2187-T2191 PolarHBondContact O-N 3.46Å; L2187-T2191 VanDerWaalsContact O-N 3.12Å; L2187-T2191 PolarHBondContact O-OG1 2.74Å; L2188-T2191 PolarHBondContact O-OG1 3.26Å; T2189-T2191 PolarHBondContact O-N 3.17Å; T2189-T2191 VanDerWaalsContact O-N 3.15Å; T2191-V2193 VanDerWaalsContact C-N 3.31Å; T2191-V2193 PolarHBondContact O-N 3.09Å; T2191-Y2195 PolarHBondContact O-N 3.1Å; T2191-K2291 PolarHBondContact OG1-NZ 3.4Å | ||
| 2192 | V | 27.5 | Very low | 32.7 | Very low | 116.8 Ų | 116.8 | 98.8 Ų | 98.8 | 71% | 0.708 | 50% | 0.499 | S | S | * | . | trans | -72.6 | 109.7 | 170.1 | -171.3 | 0 | 0 | 0 | 0 | 108.9 | S2125 H2126 L2188 E2190 D2194 N2196 | S2125-V2192 WeakPolarHBondContact OG-CG2 3.1Å; H2126-V2192 VanDerWaalsContact CE1-C 3.42Å; H2126-V2192 PolarHBondContact CE1-O 3.41Å; H2126-V2192 VanDerWaalsContact CE1-O 3.29Å; H2126-V2192 WeakPolarHBondContact NE2-CB 3.35Å; H2126-V2192 WeakPolarHBondContact NE2-CG1 3.18Å; L2188-V2192 WeakPolarHBondContact O-CG2 3.43Å; L2188-V2192 PolarHBondContact O-N 3.42Å; E2190-V2192 PolarHBondContact O-N 3.27Å; V2192-D2194 PolarHBondContact O-N 2.79Å; V2192-N2196 PolarHBondContact O-N 3.2Å | ||
| 2193 | V | 33.2 | Very low | 33.9 | Very low | 45.6 Ų | 45.6 | 93.4 Ų | 93.4 | 28% | 0.276 | 48% | 0.477 | S | S | . | . | trans | -79 | 110.5 | -179.5 | 177.9 | 0 | 0 | 0 | 0 | 109.6 | H2126 T2189 E2190 T2191 Y2195 N2196 L2197 M2241 L2288 K2291 Y2292 | H2126-V2193 PolarHBondContact NE2-O 3.24Å; T2189-V2193 WeakPolarHBondContact O-CB 3.25Å; T2189-V2193 WeakPolarHBondContact O-CG2 3.15Å; T2189-V2193 PolarHBondContact O-N 3.1Å; E2190-V2193 PolarHBondContact O-N 2.8Å; E2190-V2193 VanDerWaalsContact O-N 3.16Å; T2191-V2193 VanDerWaalsContact C-N 3.31Å; T2191-V2193 PolarHBondContact O-N 3.09Å; V2193-Y2195 HydrophobicContact CG1-CD2 4.16Å; V2193-Y2195 HydrophobicContact CG1-CE2 4.14Å; V2193-Y2195 PolarHBondContact O-N 3.08Å; V2193-Y2195 VanDerWaalsContact O-N 3.14Å; V2193-N2196 PolarHBondContact O-N 3.44Å; V2193-L2197 HydrophobicContact CG1-CD2 4.44Å; V2193-L2197 PolarHBondContact O-N 3.44Å; V2193-M2241 HydrophobicContact CG1-CE 3.48Å; V2193-M2241 VanDerWaalsContact CG1-CE 3.48Å; V2193-M2241 HydrophobicContact CG1-CG 3.33Å; V2193-M2241 HydrophobicContact CG1-SD 3.27Å; V2193-M2241 WeakPolarHBondContact CG1-SD 3.43Å; V2193-L2288 HydrophobicContact CB-CD2 4.38Å; V2193-L2288 HydrophobicContact CG1-CB 4.26Å; V2193-L2288 HydrophobicContact CG1-CD1 3.74Å; V2193-L2288 HydrophobicContact CG1-CD2 3.45Å; V2193-L2288 VanDerWaalsContact CG1-CD2 3.4Å; V2193-L2288 HydrophobicContact CG1-CG 3.96Å; V2193-L2288 HydrophobicContact CG2-CD2 3.98Å; V2193-K2291 HydrophobicContact CG2-CB 4.31Å; V2193-K2291 HydrophobicContact CG2-CD 3.57Å; V2193-K2291 VanDerWaalsContact CG2-CD 3.45Å; V2193-K2291 HydrophobicContact CG2-CG 4.46Å; V2193-Y2292 HydrophobicContact CB-CE1 4.23Å; V2193-Y2292 HydrophobicContact CB-CE2 4.4Å; V2193-Y2292 HydrophobicContact CG1-CE2 3.82Å; V2193-Y2292 VanDerWaalsContact CG1-OH 3.26Å; V2193-Y2292 WeakPolarHBondContact CG1-OH 3.48Å; V2193-Y2292 PolarHBondContact O-OH 3.14Å | ||
| 2194 | D | 39.9 | Very low | 35.3 | Very low | 57 Ų | 57 | 88 Ų | 88 | 31% | 0.305 | 44% | 0.443 | S | S | . | . | trans | -68.4 | 124.7 | 175.6 | -155.1 | -15.5 | 0 | 0 | 0 | 111 | H2126 F2127 K2176 E2190 V2192 N2196 L2197 Y2198 Y2292 | H2126-D2194 WeakPolarHBondContact CA-OD2 3.4Å; H2126-D2194 HydrophobicContact CB-CB 4.34Å; H2126-D2194 VanDerWaalsContact CB-CG 3.45Å; H2126-D2194 WeakPolarHBondContact CB-OD1 3.5Å; H2126-D2194 IonicContact CD2-OD1 2.94Å; H2126-D2194 WeakPolarHBondContact CE1-CA 3.42Å; H2126-D2194 PolarHBondContact CE1-N 2.95Å; H2126-D2194 IonicContact CG-OD1 2.63Å; H2126-D2194 VanDerWaalsContact CG-OD1 3.29Å; H2126-D2194 IonicContact CG-OD2 2.69Å; H2126-D2194 WeakPolarHBondContact ND1-CA 3.39Å; H2126-D2194 WeakPolarHBondContact ND1-CB 3.4Å; H2126-D2194 IonicContact ND1-OD1 3.9Å; H2126-D2194 IonicContact ND1-OD2 3.29Å; F2127-D2194 PolarHBondContact N-OD2 3.43Å; K2176-D2194 IonicContact NZ-OD2 2.6Å; E2190-D2194 PolarHBondContact O-N 3.3Å; V2192-D2194 PolarHBondContact O-N 2.79Å; D2194-N2196 PolarHBondContact O-N 3.28Å; D2194-N2196 WeakPolarHBondContact OD1-CA 3.27Å; D2194-N2196 VanDerWaalsContact OD1-CB 3.27Å; D2194-N2196 WeakPolarHBondContact OD1-CB 3.26Å; D2194-N2196 PolarHBondContact OD1-N 3.27Å; D2194-N2196 VanDerWaalsContact OD1-N 3.16Å; D2194-N2196 PolarHBondContact OD1-ND2 3.06Å; D2194-N2196 WeakPolarHBondContact OD2-CB 3.38Å; D2194-L2197 HydrophobicContact CB-CB 4.06Å; D2194-L2197 CarbonylContact O-C 3.58Å; D2194-L2197 WeakPolarHBondContact O-CA 3.05Å; D2194-L2197 VanDerWaalsContact O-CB 3.28Å; D2194-L2197 WeakPolarHBondContact O-CB 3.42Å; D2194-L2197 PolarHBondContact O-N 3.36Å; D2194-Y2198 PolarHBondContact O-N 2.98Å; D2194-Y2292 VanDerWaalsContact C-OH 3.31Å; D2194-Y2292 HydrophobicContact CB-CE2 4.05Å; D2194-Y2292 PolarHBondContact O-OH 3.1Å | ||
| 2195 | Y | 37.9 | Very low | 36.7 | Very low | 137.8 Ų | 137.8 | 82.9 Ų | 82.9 | 54% | 0.54 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -72.1 | -21.8 | 176 | -150.3 | -97.8 | 0 | 0 | 0 | 111.3 | T2191 V2193 L2197 Y2198 L2199 Y2292 | T2191-Y2195 PolarHBondContact O-N 3.1Å; V2193-Y2195 HydrophobicContact CG1-CD2 4.16Å; V2193-Y2195 HydrophobicContact CG1-CE2 4.14Å; V2193-Y2195 PolarHBondContact O-N 3.08Å; V2193-Y2195 VanDerWaalsContact O-N 3.14Å; Y2195-L2197 VanDerWaalsContact C-N 3.3Å; Y2195-L2197 PolarHBondContact O-N 3.12Å; Y2195-Y2198 HydrophobicContact CE2-CD1 4.42Å; Y2195-Y2198 PolarHBondContact O-N 3.06Å; Y2195-L2199 HydrophobicContact CD1-CD1 3.96Å; Y2195-L2199 HydrophobicContact CD1-CG 4.29Å; Y2195-L2199 HydrophobicContact CE1-CD1 3.61Å; Y2195-L2199 HydrophobicContact CE1-CD2 4.18Å; Y2195-L2199 HydrophobicContact CE1-CG 4.08Å; Y2195-L2199 WeakPolarHBondContact O-CB 3.42Å; Y2195-L2199 VanDerWaalsContact O-CG 3.25Å; Y2195-L2199 WeakPolarHBondContact O-CG 3.41Å; Y2195-L2199 PolarHBondContact O-N 2.94Å; Y2195-L2199 VanDerWaalsContact O-N 3.1Å; Y2195-Y2292 VanDerWaalsContact CA-OH 3.27Å; Y2195-Y2292 WeakPolarHBondContact CA-OH 3.23Å; Y2195-Y2292 PolarHBondContact N-OH 3.01Å |
| 2196 | N | 38.1 | Very low | 38 | Very low | 77.4 Ų | 77.4 | 81.9 Ų | 81.9 | 41% | 0.414 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -72.6 | -34.2 | 172.2 | -66.7 | -66.8 | 0 | 0 | 0 | 112 | F2127 T2128 V2130 V2192 V2193 D2194 Y2198 L2199 H2200 | F2127-N2196 WeakPolarHBondContact CD1-ND2 3.2Å; F2127-N2196 WeakPolarHBondContact CD2-ND2 3.2Å; F2127-N2196 WeakPolarHBondContact CE1-ND2 3.24Å; F2127-N2196 WeakPolarHBondContact CE1-OD1 3.49Å; F2127-N2196 WeakPolarHBondContact CE2-ND2 3.18Å; F2127-N2196 VanDerWaalsContact CG-ND2 3.34Å; F2127-N2196 WeakPolarHBondContact CG-ND2 3.47Å; T2128-N2196 VanDerWaalsContact OG1-CB 3.28Å; T2128-N2196 WeakPolarHBondContact OG1-CB 3.25Å; V2130-N2196 VanDerWaalsContact CG2-OD1 3.27Å; V2130-N2196 WeakPolarHBondContact CG2-OD1 3.47Å; V2192-N2196 PolarHBondContact O-N 3.2Å; V2193-N2196 PolarHBondContact O-N 3.44Å; D2194-N2196 PolarHBondContact O-N 3.28Å; D2194-N2196 WeakPolarHBondContact OD1-CA 3.27Å; D2194-N2196 VanDerWaalsContact OD1-CB 3.27Å; D2194-N2196 WeakPolarHBondContact OD1-CB 3.26Å; D2194-N2196 PolarHBondContact OD1-N 3.27Å; D2194-N2196 VanDerWaalsContact OD1-N 3.16Å; D2194-N2196 PolarHBondContact OD1-ND2 3.06Å; D2194-N2196 WeakPolarHBondContact OD2-CB 3.38Å; N2196-Y2198 VanDerWaalsContact C-N 3.34Å; N2196-Y2198 PolarHBondContact O-N 3.16Å; N2196-L2199 PolarHBondContact O-N 3.1Å; N2196-H2200 VanDerWaalsContact O-CB 3.28Å; N2196-H2200 WeakPolarHBondContact O-CB 3.36Å; N2196-H2200 VanDerWaalsContact O-CG 3.28Å; N2196-H2200 PolarHBondContact O-N 2.92Å; N2196-H2200 PolarHBondContact O-ND1 3.28Å |
| 2197 | L | 42.6 | Very low | 39.3 | Very low | 38.2 Ų | 38.2 | 76.8 Ų | 76.8 | 20% | 0.2 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.3 | -35.1 | 179.5 | -150.6 | 84.3 | 0 | 0 | 0 | 112.2 | V2193 D2194 Y2195 L2199 H2200 V2201 I2236 S2239 M2241 L2284 L2288 | V2193-L2197 HydrophobicContact CG1-CD2 4.44Å; V2193-L2197 PolarHBondContact O-N 3.44Å; D2194-L2197 HydrophobicContact CB-CB 4.06Å; D2194-L2197 CarbonylContact O-C 3.58Å; D2194-L2197 WeakPolarHBondContact O-CA 3.05Å; D2194-L2197 VanDerWaalsContact O-CB 3.28Å; D2194-L2197 WeakPolarHBondContact O-CB 3.42Å; D2194-L2197 PolarHBondContact O-N 3.36Å; Y2195-L2197 VanDerWaalsContact C-N 3.3Å; Y2195-L2197 PolarHBondContact O-N 3.12Å; L2197-L2199 VanDerWaalsContact C-N 3.32Å; L2197-L2199 PolarHBondContact O-N 3.14Å; L2197-H2200 WeakPolarHBondContact O-CB 3.38Å; L2197-H2200 PolarHBondContact O-N 3.23Å; L2197-V2201 HydrophobicContact CD1-CG2 4.34Å; L2197-V2201 HydrophobicContact CG-CG2 4.39Å; L2197-V2201 WeakPolarHBondContact O-CB 3.26Å; L2197-V2201 WeakPolarHBondContact O-CG2 3.32Å; L2197-V2201 PolarHBondContact O-N 3.01Å; L2197-I2236 HydrophobicContact CD1-CG1 3.9Å; L2197-S2239 VanDerWaalsContact CD2-OG 3.29Å; L2197-S2239 WeakPolarHBondContact CD2-OG 3.49Å; L2197-M2241 HydrophobicContact CD1-CE 3.87Å; L2197-M2241 HydrophobicContact CD1-SD 3.26Å; L2197-M2241 WeakPolarHBondContact CD1-SD 3.45Å; L2197-M2241 HydrophobicContact CD2-CG 4.4Å; L2197-M2241 HydrophobicContact CD2-SD 3.99Å; L2197-L2284 HydrophobicContact CD2-CD1 4.47Å; L2197-L2284 HydrophobicContact CD2-CD2 3.47Å; L2197-L2284 VanDerWaalsContact CD2-CD2 3.47Å; L2197-L2284 HydrophobicContact CD2-CG 3.73Å; L2197-L2284 HydrophobicContact CG-CD2 3.95Å; L2197-L2288 HydrophobicContact CB-CD1 4.01Å; L2197-L2288 HydrophobicContact CB-CD2 4.02Å; L2197-L2288 HydrophobicContact CB-CG 4.26Å; L2197-L2288 HydrophobicContact CD2-CD1 4Å; L2197-L2288 HydrophobicContact CD2-CD2 4.02Å; L2197-L2288 HydrophobicContact CD2-CG 3.57Å; L2197-L2288 HydrophobicContact CG-CD1 4.21Å |
| 2198 | Y | 43.7 | Very low | 40.8 | Very low | 87.8 Ų | 87.8 | 71 Ų | 71 | 34% | 0.344 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 178.4 | -172.6 | -110.4 | 0 | 0 | 0 | 112.3 | D2194 Y2195 N2196 H2200 V2201 L2202 A2285 L2288 K2289 Y2292 T2339 | D2194-Y2198 PolarHBondContact O-N 2.98Å; Y2195-Y2198 HydrophobicContact CE2-CD1 4.42Å; Y2195-Y2198 PolarHBondContact O-N 3.06Å; N2196-Y2198 VanDerWaalsContact C-N 3.34Å; N2196-Y2198 PolarHBondContact O-N 3.16Å; Y2198-H2200 VanDerWaalsContact C-N 3.31Å; Y2198-H2200 PolarHBondContact O-N 3.2Å; Y2198-V2201 PolarHBondContact O-N 3.13Å; Y2198-L2202 HydrophobicContact CD1-CD1 3.99Å; Y2198-L2202 HydrophobicContact CD2-CD1 4.46Å; Y2198-L2202 HydrophobicContact CD2-CG 4.5Å; Y2198-L2202 HydrophobicContact CE1-CD1 3.52Å; Y2198-L2202 HydrophobicContact CE1-CG 4.16Å; Y2198-L2202 HydrophobicContact CE2-CD1 4.12Å; Y2198-L2202 HydrophobicContact CE2-CD2 4.46Å; Y2198-L2202 HydrophobicContact CE2-CG 4.25Å; Y2198-L2202 HydrophobicContact CG-CD1 4.46Å; Y2198-L2202 WeakPolarHBondContact O-CB 3.25Å; Y2198-L2202 WeakPolarHBondContact O-CG 3.37Å; Y2198-L2202 PolarHBondContact O-N 2.94Å; Y2198-A2285 HydrophobicContact CE2-CB 4.5Å; Y2198-L2288 HydrophobicContact CD2-CB 3.81Å; Y2198-L2288 HydrophobicContact CD2-CD1 4.25Å; Y2198-L2288 HydrophobicContact CE2-CB 4.37Å; Y2198-L2288 HydrophobicContact CG-CB 4.47Å; Y2198-K2289 HydrophobicContact CE2-CB 4.32Å; Y2198-Y2292 HydrophobicContact CD1-CE2 4.43Å; Y2198-Y2292 HydrophobicContact CD2-CE2 4.22Å; Y2198-Y2292 AromaticContact CG-CE2 3.93Å; Y2198-Y2292 HydrophobicContact CG-CE2 4.11Å; Y2198-T2339 HydrophobicContact CE2-CG2 3.83Å |
| 2199 | L | 41.8 | Very low | 42.2 | Very low | 70.8 Ų | 70.8 | 66.6 Ų | 66.6 | 37% | 0.371 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 175.7 | -79 | 166.5 | 0 | 0 | 0 | 113.2 | Y2195 N2196 L2197 V2201 L2202 T2203 W2340 | Y2195-L2199 HydrophobicContact CD1-CD1 3.96Å; Y2195-L2199 HydrophobicContact CD1-CG 4.29Å; Y2195-L2199 HydrophobicContact CE1-CD1 3.61Å; Y2195-L2199 HydrophobicContact CE1-CD2 4.18Å; Y2195-L2199 HydrophobicContact CE1-CG 4.08Å; Y2195-L2199 WeakPolarHBondContact O-CB 3.42Å; Y2195-L2199 VanDerWaalsContact O-CG 3.25Å; Y2195-L2199 WeakPolarHBondContact O-CG 3.41Å; Y2195-L2199 PolarHBondContact O-N 2.94Å; Y2195-L2199 VanDerWaalsContact O-N 3.1Å; N2196-L2199 PolarHBondContact O-N 3.1Å; L2197-L2199 VanDerWaalsContact C-N 3.32Å; L2197-L2199 PolarHBondContact O-N 3.14Å; L2199-V2201 VanDerWaalsContact C-N 3.33Å; L2199-V2201 PolarHBondContact O-N 2.86Å; L2199-V2201 VanDerWaalsContact O-N 3.1Å; L2199-L2202 PolarHBondContact O-N 2.99Å; L2199-T2203 WeakPolarHBondContact CD2-OG1 3.37Å; L2199-T2203 WeakPolarHBondContact O-CB 3.29Å; L2199-T2203 PolarHBondContact O-N 3.01Å; L2199-T2203 PolarHBondContact O-OG1 3.17Å; L2199-W2340 HydrophobicContact CB-CH2 4.5Å; L2199-W2340 HydrophobicContact CB-CZ2 4Å; L2199-W2340 HydrophobicContact CD1-CH2 4.28Å; L2199-W2340 HydrophobicContact CD1-CZ2 4.11Å; L2199-W2340 HydrophobicContact CD2-CZ2 3.82Å; L2199-W2340 HydrophobicContact CG-CZ2 4.2Å |
| 2200 | H | 48.2 | Very low | 43.4 | Very low | 44.2 Ų | 44.2 | 66.7 Ų | 66.7 | 21% | 0.205 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62 | -38.2 | -179 | -79.5 | 97.2 | 0 | 0 | 0 | 112.9 | T2128 N2196 L2197 Y2198 T2203 L2204 F2228 C2232 I2236 | T2128-H2200 VanDerWaalsContact CB-CE1 3.47Å; T2128-H2200 WeakPolarHBondContact CB-CE1 3.47Å; T2128-H2200 PolarHBondContact OG1-CE1 3.35Å; T2128-H2200 PolarHBondContact OG1-ND1 3.03Å; N2196-H2200 VanDerWaalsContact O-CB 3.28Å; N2196-H2200 WeakPolarHBondContact O-CB 3.36Å; N2196-H2200 VanDerWaalsContact O-CG 3.28Å; N2196-H2200 PolarHBondContact O-N 2.92Å; N2196-H2200 PolarHBondContact O-ND1 3.28Å; L2197-H2200 WeakPolarHBondContact O-CB 3.38Å; L2197-H2200 PolarHBondContact O-N 3.23Å; Y2198-H2200 VanDerWaalsContact C-N 3.31Å; Y2198-H2200 PolarHBondContact O-N 3.2Å; H2200-T2203 PolarHBondContact O-N 3.19Å; H2200-L2204 WeakPolarHBondContact O-CB 3.35Å; H2200-L2204 PolarHBondContact O-N 3.17Å; H2200-F2228 HydrophobicContact CB-CZ 4.49Å; H2200-F2228 AromaticContact CE1-CE2 3.51Å; H2200-F2228 AromaticContact CE1-CZ 3.72Å; H2200-F2228 AromaticContact CG-CZ 3.99Å; H2200-F2228 AromaticContact ND1-CE2 3.48Å; H2200-F2228 WeakPolarHBondContact ND1-CE2 3.33Å; H2200-F2228 AromaticContact ND1-CZ 3.23Å; H2200-F2228 WeakPolarHBondContact ND1-CZ 3.23Å; H2200-C2232 PolarHBondContact CD2-O 3.34Å; H2200-C2232 VanDerWaalsContact CD2-SG 3.58Å; H2200-C2232 PolarHBondContact NE2-O 3.39Å; H2200-I2236 HydrophobicContact CB-CD1 4.39Å |
| 2201 | V | 48.2 | Very low | 44.2 | Very low | 14.4 Ų | 14.4 | 62 Ų | 62 | 9% | 0.087 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.7 | -46.7 | 176.4 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | L2197 Y2198 L2199 T2203 L2204 E2205 I2236 Y2281 L2284 A2285 L2288 M2343 | L2197-V2201 HydrophobicContact CD1-CG2 4.34Å; L2197-V2201 HydrophobicContact CG-CG2 4.39Å; L2197-V2201 WeakPolarHBondContact O-CB 3.26Å; L2197-V2201 WeakPolarHBondContact O-CG2 3.32Å; L2197-V2201 PolarHBondContact O-N 3.01Å; Y2198-V2201 PolarHBondContact O-N 3.13Å; L2199-V2201 VanDerWaalsContact C-N 3.33Å; L2199-V2201 PolarHBondContact O-N 2.86Å; L2199-V2201 VanDerWaalsContact O-N 3.1Å; V2201-T2203 VanDerWaalsContact C-N 3.3Å; V2201-T2203 PolarHBondContact O-N 3.04Å; V2201-L2204 WeakPolarHBondContact O-CB 3.34Å; V2201-L2204 PolarHBondContact O-N 3.11Å; V2201-L2204 VanDerWaalsContact O-N 3.14Å; V2201-E2205 WeakPolarHBondContact O-CB 3.25Å; V2201-E2205 PolarHBondContact O-N 3.24Å; V2201-I2236 HydrophobicContact CG2-CD1 3.77Å; V2201-I2236 HydrophobicContact CG2-CG1 4.14Å; V2201-Y2281 HydrophobicContact CB-CE2 4.36Å; V2201-Y2281 HydrophobicContact CG1-CD1 4.25Å; V2201-Y2281 HydrophobicContact CG1-CD2 4.27Å; V2201-Y2281 HydrophobicContact CG1-CE2 3.61Å; V2201-Y2281 VanDerWaalsContact CG1-CE2 3.46Å; V2201-Y2281 VanDerWaalsContact CG1-O 3.32Å; V2201-Y2281 WeakPolarHBondContact CG1-O 3.31Å; V2201-Y2281 HydrophobicContact CG2-CD1 4.31Å; V2201-Y2281 WeakPolarHBondContact O-CE2 3.35Å; V2201-L2284 HydrophobicContact CG1-CB 4.12Å; V2201-L2284 HydrophobicContact CG1-CD2 4.35Å; V2201-L2284 HydrophobicContact CG1-CG 4.28Å; V2201-L2284 HydrophobicContact CG2-CD2 3.47Å; V2201-L2284 VanDerWaalsContact CG2-CD2 3.46Å; V2201-L2284 HydrophobicContact CG2-CG 3.98Å; V2201-A2285 HydrophobicContact CG1-CB 3.88Å; V2201-L2288 HydrophobicContact CB-CD1 4.5Å; V2201-L2288 HydrophobicContact CG2-CD1 4Å; V2201-M2343 HydrophobicContact CB-CE 3.97Å; V2201-M2343 HydrophobicContact CG1-CE 3.48Å; V2201-M2343 VanDerWaalsContact CG1-CE 3.48Å |
| 2202 | L | 45.6 | Very low | 44.7 | Very low | 68 Ų | 68 | 63.1 Ų | 63.1 | 36% | 0.356 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 176.4 | -77.7 | 173.4 | 0 | 0 | 0 | 112.1 | Y2198 L2199 L2204 E2205 E2206 A2285 | Y2198-L2202 HydrophobicContact CD1-CD1 3.99Å; Y2198-L2202 HydrophobicContact CD2-CD1 4.46Å; Y2198-L2202 HydrophobicContact CD2-CG 4.5Å; Y2198-L2202 HydrophobicContact CE1-CD1 3.52Å; Y2198-L2202 HydrophobicContact CE1-CG 4.16Å; Y2198-L2202 HydrophobicContact CE2-CD1 4.12Å; Y2198-L2202 HydrophobicContact CE2-CD2 4.46Å; Y2198-L2202 HydrophobicContact CE2-CG 4.25Å; Y2198-L2202 HydrophobicContact CG-CD1 4.46Å; Y2198-L2202 WeakPolarHBondContact O-CB 3.25Å; Y2198-L2202 WeakPolarHBondContact O-CG 3.37Å; Y2198-L2202 PolarHBondContact O-N 2.94Å; L2199-L2202 PolarHBondContact O-N 2.99Å; L2202-L2204 VanDerWaalsContact C-N 3.29Å; L2202-L2204 PolarHBondContact O-N 3.13Å; L2202-E2205 WeakPolarHBondContact O-CB 3.48Å; L2202-E2205 PolarHBondContact O-N 2.95Å; L2202-E2206 WeakPolarHBondContact O-CB 3.41Å; L2202-E2206 WeakPolarHBondContact O-CG 3.08Å; L2202-E2206 PolarHBondContact O-N 3.11Å; L2202-A2285 HydrophobicContact CD2-CB 4.3Å |
| 2203 | T | 48.3 | Very low | 45.2 | Very low | 30.2 Ų | 30.2 | 62.6 Ų | 62.6 | 19% | 0.185 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.2 | -32.4 | 180 | -36.4 | 0 | 0 | 0 | 0 | 111.8 | L2199 H2200 V2201 E2205 E2206 I2207 F2228 | L2199-T2203 WeakPolarHBondContact CD2-OG1 3.37Å; L2199-T2203 WeakPolarHBondContact O-CB 3.29Å; L2199-T2203 PolarHBondContact O-N 3.01Å; L2199-T2203 PolarHBondContact O-OG1 3.17Å; H2200-T2203 PolarHBondContact O-N 3.19Å; V2201-T2203 VanDerWaalsContact C-N 3.3Å; V2201-T2203 PolarHBondContact O-N 3.04Å; T2203-E2205 VanDerWaalsContact C-N 3.32Å; T2203-E2206 PolarHBondContact O-N 3.07Å; T2203-I2207 HydrophobicContact CG2-CD1 4.26Å; T2203-I2207 WeakPolarHBondContact O-CB 3.46Å; T2203-I2207 VanDerWaalsContact O-CD1 3.24Å; T2203-I2207 WeakPolarHBondContact O-CD1 3.45Å; T2203-I2207 VanDerWaalsContact O-CG1 3.28Å; T2203-I2207 WeakPolarHBondContact O-CG1 3.32Å; T2203-I2207 PolarHBondContact O-N 3.05Å; T2203-F2228 HydrophobicContact CG2-CD1 3.97Å; T2203-F2228 HydrophobicContact CG2-CE1 3.75Å; T2203-F2228 VanDerWaalsContact CG2-CE1 3.46Å; T2203-F2228 HydrophobicContact CG2-CZ 3.86Å |
| 2204 | L | 54 | Low | 45.2 | Very low | 5.6 Ų | 5.6 | 67.4 Ų | 67.4 | 3% | 0.029 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 172.2 | -110 | 151 | 0 | 0 | 0 | 111.6 | H2200 V2201 L2202 E2206 I2207 L2208 L2229 C2232 L2233 I2236 L2277 Y2280 Y2281 | H2200-L2204 WeakPolarHBondContact O-CB 3.35Å; H2200-L2204 PolarHBondContact O-N 3.17Å; V2201-L2204 WeakPolarHBondContact O-CB 3.34Å; V2201-L2204 PolarHBondContact O-N 3.11Å; V2201-L2204 VanDerWaalsContact O-N 3.14Å; L2202-L2204 VanDerWaalsContact C-N 3.29Å; L2202-L2204 PolarHBondContact O-N 3.13Å; L2204-E2206 VanDerWaalsContact C-N 3.29Å; L2204-E2206 PolarHBondContact O-N 3.22Å; L2204-I2207 PolarHBondContact O-N 3.15Å; L2204-L2208 HydrophobicContact CD2-CD1 4.03Å; L2204-L2208 HydrophobicContact CD2-CG 4.39Å; L2204-L2208 VanDerWaalsContact O-CB 3.29Å; L2204-L2208 WeakPolarHBondContact O-CB 3.3Å; L2204-L2208 WeakPolarHBondContact O-CD1 3.18Å; L2204-L2208 VanDerWaalsContact O-CG 3.27Å; L2204-L2208 WeakPolarHBondContact O-CG 3.33Å; L2204-L2208 PolarHBondContact O-N 3.14Å; L2204-L2229 HydrophobicContact CD1-CD1 3.72Å; L2204-L2229 HydrophobicContact CD2-CD1 3.97Å; L2204-L2229 HydrophobicContact CG-CD1 4.19Å; L2204-C2232 HydrophobicContact CD1-CB 3.66Å; L2204-C2232 HydrophobicContact CD2-CB 4.32Å; L2204-C2232 HydrophobicContact CG-CB 3.65Å; L2204-L2233 HydrophobicContact CD1-CD2 4.08Å; L2204-L2233 HydrophobicContact CD1-CG 4.5Å; L2204-L2233 HydrophobicContact CD2-CD2 3.87Å; L2204-L2233 HydrophobicContact CD2-CG 4.44Å; L2204-I2236 HydrophobicContact CD1-CD1 3.47Å; L2204-I2236 VanDerWaalsContact CD1-CD1 3.43Å; L2204-I2236 HydrophobicContact CD1-CG1 4.45Å; L2204-L2277 HydrophobicContact CD2-CD2 3.5Å; L2204-L2277 VanDerWaalsContact CD2-CD2 3.48Å; L2204-Y2280 HydrophobicContact CD1-CE1 4.17Å; L2204-Y2281 HydrophobicContact CB-CD2 3.92Å; L2204-Y2281 HydrophobicContact CB-CE2 4.18Å; L2204-Y2281 HydrophobicContact CB-CG 4.28Å; L2204-Y2281 HydrophobicContact CD1-CD2 4.45Å; L2204-Y2281 HydrophobicContact CD1-CE1 4.14Å; L2204-Y2281 HydrophobicContact CD1-CE2 3.95Å; L2204-Y2281 HydrophobicContact CD2-CE2 4.06Å; L2204-Y2281 HydrophobicContact CG-CE2 4.25Å |
| 2205 | E | 53.2 | Low | 44.9 | Very low | 75.6 Ų | 75.6 | 72.9 Ų | 72.9 | 35% | 0.353 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 172.9 | -168.7 | 172.6 | -166.8 | 0 | 0 | 111.2 | V2201 L2202 T2203 L2208 S2209 Y2281 K2282 | V2201-E2205 WeakPolarHBondContact O-CB 3.25Å; V2201-E2205 PolarHBondContact O-N 3.24Å; L2202-E2205 WeakPolarHBondContact O-CB 3.48Å; L2202-E2205 PolarHBondContact O-N 2.95Å; T2203-E2205 VanDerWaalsContact C-N 3.32Å; E2205-L2208 CarbonylContact O-C 3.47Å; E2205-L2208 PolarHBondContact O-N 2.92Å; E2205-S2209 WeakPolarHBondContact O-CA 3.46Å; E2205-S2209 VanDerWaalsContact O-CB 3.3Å; E2205-S2209 WeakPolarHBondContact O-CB 3.39Å; E2205-S2209 PolarHBondContact O-N 3.2Å; E2205-S2209 PolarHBondContact O-OG 3.01Å; E2205-Y2281 HydrophobicContact CB-CE2 3.9Å; E2205-Y2281 VanDerWaalsContact CD-OH 3.28Å; E2205-Y2281 HydrophobicContact CG-CE2 4.27Å; E2205-Y2281 PolarHBondContact OE1-OH 3.43Å; E2205-Y2281 PolarHBondContact OE2-OH 2.98Å; E2205-K2282 HydrophobicContact CG-CG 4.37Å; E2205-K2282 WeakPolarHBondContact OE1-CD 3.34Å; E2205-K2282 WeakPolarHBondContact OE1-CE 3.17Å; E2205-K2282 WeakPolarHBondContact OE1-CG 3.49Å; E2205-K2282 IonicContact OE1-NZ 2.9Å; E2205-K2282 WeakPolarHBondContact OE2-CG 3.31Å |
| 2206 | E | 49.5 | Very low | 44.7 | Very low | 96.8 Ų | 96.8 | 71 Ų | 71 | 45% | 0.452 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.7 | -47.1 | 175.7 | -147.6 | -175.5 | 160 | 0 | 0 | 112.2 | L2202 T2203 L2204 L2208 S2209 Q2210 I2327 | L2202-E2206 WeakPolarHBondContact O-CB 3.41Å; L2202-E2206 WeakPolarHBondContact O-CG 3.08Å; L2202-E2206 PolarHBondContact O-N 3.11Å; T2203-E2206 PolarHBondContact O-N 3.07Å; L2204-E2206 VanDerWaalsContact C-N 3.29Å; L2204-E2206 PolarHBondContact O-N 3.22Å; E2206-L2208 VanDerWaalsContact C-N 3.3Å; E2206-L2208 PolarHBondContact O-N 2.97Å; E2206-S2209 WeakPolarHBondContact CA-OG 3.22Å; E2206-S2209 PolarHBondContact O-N 2.91Å; E2206-S2209 PolarHBondContact O-OG 3.1Å; E2206-S2209 VanDerWaalsContact O-OG 3.14Å; E2206-Q2210 WeakPolarHBondContact O-CB 3.43Å; E2206-Q2210 VanDerWaalsContact O-CG 3.29Å; E2206-Q2210 WeakPolarHBondContact O-CG 3.4Å; E2206-Q2210 PolarHBondContact O-N 3.31Å; E2206-Q2210 PolarHBondContact OE1-NE2 2.95Å; E2206-I2327 HydrophobicContact CB-CD1 4.47Å; E2206-I2327 HydrophobicContact CG-CD1 4.33Å; E2206-I2327 HydrophobicContact CG-CG2 4.41Å; E2206-I2327 WeakPolarHBondContact OE2-CG2 3.29Å |
| 2207 | I | 51.4 | Low | 44.7 | Very low | 16.8 Ų | 16.8 | 72 Ų | 72 | 9% | 0.086 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.4 | -38.2 | 177.4 | -71.5 | 168.7 | 0 | 0 | 0 | 111.5 | T2203 L2204 L2219 V2221 N2225 F2228 L2229 | T2203-I2207 HydrophobicContact CG2-CD1 4.26Å; T2203-I2207 WeakPolarHBondContact O-CB 3.46Å; T2203-I2207 VanDerWaalsContact O-CD1 3.24Å; T2203-I2207 WeakPolarHBondContact O-CD1 3.45Å; T2203-I2207 VanDerWaalsContact O-CG1 3.28Å; T2203-I2207 WeakPolarHBondContact O-CG1 3.32Å; T2203-I2207 PolarHBondContact O-N 3.05Å; L2204-I2207 PolarHBondContact O-N 3.15Å; I2207-L2219 WeakPolarHBondContact O-CD1 3.47Å; I2207-V2221 HydrophobicContact CG2-CG1 4.27Å; I2207-V2221 HydrophobicContact CG2-CG2 4.3Å; I2207-N2225 HydrophobicContact CD1-CB 3.89Å; I2207-N2225 HydrophobicContact CG1-CB 4.32Å; I2207-F2228 HydrophobicContact CD1-CD1 3.53Å; I2207-F2228 HydrophobicContact CD1-CE1 3.4Å; I2207-F2228 VanDerWaalsContact CD1-CE1 3.47Å; I2207-F2228 HydrophobicContact CD1-CG 4.24Å; I2207-F2228 HydrophobicContact CD1-CZ 4.44Å; I2207-L2229 HydrophobicContact CD1-CB 4.29Å; I2207-L2229 HydrophobicContact CD1-CD1 4.12Å; I2207-L2229 HydrophobicContact CG2-CD1 4.19Å |
| 2208 | L | 54.3 | Low | 44.8 | Very low | 17.4 Ų | 17.4 | 72.7 Ų | 72.7 | 9% | 0.091 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -75.8 | -37.1 | 177.6 | -68.6 | 170.6 | 0 | 0 | 0 | 112 | L2204 E2205 E2206 Q2210 S2211 L2219 I2269 L2277 I2278 Y2281 | L2204-L2208 HydrophobicContact CD2-CD1 4.03Å; L2204-L2208 HydrophobicContact CD2-CG 4.39Å; L2204-L2208 VanDerWaalsContact O-CB 3.29Å; L2204-L2208 WeakPolarHBondContact O-CB 3.3Å; L2204-L2208 WeakPolarHBondContact O-CD1 3.18Å; L2204-L2208 VanDerWaalsContact O-CG 3.27Å; L2204-L2208 WeakPolarHBondContact O-CG 3.33Å; L2204-L2208 PolarHBondContact O-N 3.14Å; E2205-L2208 CarbonylContact O-C 3.47Å; E2205-L2208 PolarHBondContact O-N 2.92Å; E2206-L2208 VanDerWaalsContact C-N 3.3Å; E2206-L2208 PolarHBondContact O-N 2.97Å; L2208-Q2210 VanDerWaalsContact C-N 3.31Å; L2208-Q2210 PolarHBondContact O-N 3.08Å; L2208-S2211 VanDerWaalsContact O-CB 3.23Å; L2208-S2211 WeakPolarHBondContact O-CB 3.15Å; L2208-S2211 PolarHBondContact O-N 3.23Å; L2208-S2211 PolarHBondContact O-OG 2.98Å; L2208-L2219 HydrophobicContact CD2-CD1 4.11Å; L2208-L2219 HydrophobicContact CD2-CD2 3.81Å; L2208-I2269 HydrophobicContact CD2-CD1 3.94Å; L2208-L2277 HydrophobicContact CD1-CB 3.56Å; L2208-L2277 HydrophobicContact CD1-CD1 4.25Å; L2208-L2277 HydrophobicContact CD1-CD2 4.22Å; L2208-L2277 HydrophobicContact CD2-CB 4.42Å; L2208-L2277 HydrophobicContact CD2-CD1 4.28Å; L2208-L2277 HydrophobicContact CD2-CD2 4.19Å; L2208-I2278 HydrophobicContact CB-CD1 3.93Å; L2208-I2278 HydrophobicContact CB-CG1 3.46Å; L2208-I2278 VanDerWaalsContact CB-CG1 3.42Å; L2208-I2278 HydrophobicContact CD1-CG1 4.25Å; L2208-I2278 HydrophobicContact CD2-CG1 4.3Å; L2208-I2278 HydrophobicContact CG-CG1 4.41Å; L2208-Y2281 HydrophobicContact CD1-CD2 3.76Å; L2208-Y2281 HydrophobicContact CD1-CE2 3.94Å; L2208-Y2281 HydrophobicContact CD1-CG 4.43Å |
| 2209 | S | 52.1 | Low | 44.9 | Very low | 57 Ų | 57 | 69.7 Ų | 69.7 | 40% | 0.399 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.9 | -29.8 | 178.5 | 69.1 | 0 | 0 | 0 | 0 | 113 | E2205 E2206 S2211 T2212 | E2205-S2209 WeakPolarHBondContact O-CA 3.46Å; E2205-S2209 VanDerWaalsContact O-CB 3.3Å; E2205-S2209 WeakPolarHBondContact O-CB 3.39Å; E2205-S2209 PolarHBondContact O-N 3.2Å; E2205-S2209 PolarHBondContact O-OG 3.01Å; E2206-S2209 WeakPolarHBondContact CA-OG 3.22Å; E2206-S2209 PolarHBondContact O-N 2.91Å; E2206-S2209 PolarHBondContact O-OG 3.1Å; E2206-S2209 VanDerWaalsContact O-OG 3.14Å; S2209-S2211 PolarHBondContact O-N 3.07Å; S2209-T2212 WeakPolarHBondContact O-CB 3.42Å; S2209-T2212 WeakPolarHBondContact O-CG2 3.45Å; S2209-T2212 PolarHBondContact O-N 3.1Å; S2209-T2212 VanDerWaalsContact O-N 3.11Å; S2209-T2212 PolarHBondContact O-OG1 3.13Å; S2209-T2212 VanDerWaalsContact O-OG1 3.1Å |
| 2210 | Q | 48.9 | Very low | 45.3 | Very low | 111.2 Ų | 111.2 | 73.4 Ų | 73.4 | 52% | 0.52 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -11.5 | 172.4 | -73.6 | 179.7 | 16.8 | 0 | 0 | 113.6 | E2206 L2208 T2212 N2225 | E2206-Q2210 WeakPolarHBondContact O-CB 3.43Å; E2206-Q2210 VanDerWaalsContact O-CG 3.29Å; E2206-Q2210 WeakPolarHBondContact O-CG 3.4Å; E2206-Q2210 PolarHBondContact O-N 3.31Å; E2206-Q2210 PolarHBondContact OE1-NE2 2.95Å; L2208-Q2210 VanDerWaalsContact C-N 3.31Å; L2208-Q2210 PolarHBondContact O-N 3.08Å; Q2210-T2212 VanDerWaalsContact C-N 3.29Å; Q2210-T2212 PolarHBondContact O-N 3.42Å; Q2210-N2225 PolarHBondContact OE1-ND2 3.28Å |
| 2211 | S | 42.4 | Very low | 45.4 | Very low | 44 Ų | 44 | 71.7 Ų | 71.7 | 31% | 0.308 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 1.1 | 175.8 | 75.3 | 0 | 0 | 0 | 0 | 114.6 | L2208 S2209 T2213 L2219 S2274 | L2208-S2211 VanDerWaalsContact O-CB 3.23Å; L2208-S2211 WeakPolarHBondContact O-CB 3.15Å; L2208-S2211 PolarHBondContact O-N 3.23Å; L2208-S2211 PolarHBondContact O-OG 2.98Å; S2209-S2211 PolarHBondContact O-N 3.07Å; S2211-T2213 VanDerWaalsContact C-N 3.3Å; S2211-T2213 PolarHBondContact O-N 3.18Å; S2211-T2213 VanDerWaalsContact O-N 3.16Å; S2211-L2219 VanDerWaalsContact CB-CD1 3.48Å; S2211-L2219 VanDerWaalsContact CB-CD2 3.5Å; S2211-L2219 VanDerWaalsContact CB-CG 3.49Å; S2211-L2219 VanDerWaalsContact OG-CD2 3.3Å; S2211-L2219 WeakPolarHBondContact OG-CD2 3.39Å; S2211-S2274 PolarHBondContact OG-OG 3.46Å |
| 2212 | T | 38.4 | Very low | 45.6 | Very low | 112.4 Ų | 112.4 | 76.6 Ų | 76.6 | 69% | 0.69 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -82.5 | 13.2 | -175.2 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | S2209 Q2210 N2214 | S2209-T2212 WeakPolarHBondContact O-CB 3.42Å; S2209-T2212 WeakPolarHBondContact O-CG2 3.45Å; S2209-T2212 PolarHBondContact O-N 3.1Å; S2209-T2212 VanDerWaalsContact O-N 3.11Å; S2209-T2212 PolarHBondContact O-OG1 3.13Å; S2209-T2212 VanDerWaalsContact O-OG1 3.1Å; Q2210-T2212 VanDerWaalsContact C-N 3.29Å; Q2210-T2212 PolarHBondContact O-N 3.42Å; T2212-N2214 PolarHBondContact O-N 2.88Å; T2212-N2214 VanDerWaalsContact O-N 3.13Å |
| 2213 | T | 37.1 | Very low | 45.7 | Very low | 106.8 Ų | 106.8 | 76.1 Ų | 76.1 | 66% | 0.655 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -105.2 | 89.9 | 174.3 | 47 | 0 | 0 | 0 | 0 | 111.8 | S2211 L2215 | S2211-T2213 VanDerWaalsContact C-N 3.3Å; S2211-T2213 PolarHBondContact O-N 3.18Å; S2211-T2213 VanDerWaalsContact O-N 3.16Å; T2213-L2215 PolarHBondContact O-N 3.26Å |
| 2214 | N | 34.3 | Very low | 45.6 | Very low | 145.6 Ų | 145.6 | 80.3 Ų | 80.3 | 78% | 0.779 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 64.5 | 103.2 | 164.8 | -66.4 | -30.2 | 0 | 0 | 0 | 116.9 | T2212 S2216 | T2212-N2214 PolarHBondContact O-N 2.88Å; T2212-N2214 VanDerWaalsContact O-N 3.13Å; N2214-S2216 CarbonylContact O-C 3.58Å; N2214-S2216 PolarHBondContact O-N 3.22Å |
| 2215 | L | 33.9 | Very low | 45.3 | Very low | 173.4 Ų | 173.4 | 81.9 Ų | 81.9 | 91% | 0.908 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -8.8 | 47.3 | 157.7 | -90.2 | 134.1 | 0 | 0 | 0 | 116.4 | T2213 C2217 | T2213-L2215 PolarHBondContact O-N 3.26Å; L2215-C2217 HydrophobicContact CB-CB 4.35Å; L2215-C2217 PolarHBondContact O-N 3.1Å |
| 2216 | S | 33.8 | Very low | 45.3 | Very low | 97.8 Ų | 97.8 | 78.3 Ų | 78.3 | 68% | 0.684 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -121.6 | 112.5 | 167 | 62.1 | 0 | 0 | 0 | 0 | 113.4 | N2214 T2218 | N2214-S2216 CarbonylContact O-C 3.58Å; N2214-S2216 PolarHBondContact O-N 3.22Å; S2216-T2218 PolarHBondContact O-N 3.06Å |
| 2217 | C | 37.1 | Very low | 45.4 | Very low | 97.4 Ų | 97.4 | 80.6 Ų | 80.6 | 66% | 0.658 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 46.5 | 106.4 | 174.3 | -57.7 | 0 | 0 | 0 | 0 | 115.7 | L2215 E2271 | L2215-C2217 HydrophobicContact CB-CB 4.35Å; L2215-C2217 PolarHBondContact O-N 3.1Å; C2217-E2271 PolarHBondContact SG-OE2 2.72Å; C2217-E2271 VanDerWaalsContact SG-OE2 3.38Å |
| 2218 | T | 44.3 | Very low | 45.4 | Very low | 54.2 Ų | 54.2 | 83.6 Ų | 83.6 | 33% | 0.333 | 45% | 0.451 | S | S | . | . | trans | 40.1 | 122.9 | 164.3 | 36.8 | 0 | 0 | 0 | 0 | 115.3 | S2216 K2220 E2268 I2269 N2270 | S2216-T2218 PolarHBondContact O-N 3.06Å; T2218-K2220 PolarHBondContact O-N 3.08Å; T2218-K2220 VanDerWaalsContact O-N 3.17Å; T2218-E2268 VanDerWaalsContact CB-CD 3.46Å; T2218-E2268 WeakPolarHBondContact CB-OE1 3.31Å; T2218-E2268 WeakPolarHBondContact CB-OE2 3.47Å; T2218-E2268 HydrophobicContact CG2-CB 4.3Å; T2218-E2268 HydrophobicContact CG2-CG 3.93Å; T2218-E2268 WeakPolarHBondContact CG2-OE2 3.45Å; T2218-E2268 PolarHBondContact OG1-OE1 3.28Å; T2218-E2268 PolarHBondContact OG1-OE2 2.61Å; T2218-I2269 WeakPolarHBondContact CA-O 3.34Å; T2218-N2270 HydrophobicContact CG2-CB 4.22Å | ||
| 2219 | L | 46.2 | Very low | 45.6 | Very low | 25 Ų | 25 | 82.8 Ų | 82.8 | 13% | 0.131 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 101.2 | 177.6 | -155.7 | 142.7 | 0 | 0 | 0 | 108.7 | I2207 L2208 S2211 V2221 E2268 I2269 | I2207-L2219 WeakPolarHBondContact O-CD1 3.47Å; L2208-L2219 HydrophobicContact CD2-CD1 4.11Å; L2208-L2219 HydrophobicContact CD2-CD2 3.81Å; S2211-L2219 VanDerWaalsContact CB-CD1 3.48Å; S2211-L2219 VanDerWaalsContact CB-CD2 3.5Å; S2211-L2219 VanDerWaalsContact CB-CG 3.49Å; S2211-L2219 VanDerWaalsContact OG-CD2 3.3Å; S2211-L2219 WeakPolarHBondContact OG-CD2 3.39Å; L2219-V2221 HydrophobicContact CD2-CG2 3.5Å; L2219-V2221 VanDerWaalsContact CD2-CG2 3.47Å; L2219-V2221 HydrophobicContact CG-CG2 4.27Å; L2219-V2221 PolarHBondContact O-N 3.21Å; L2219-V2221 VanDerWaalsContact O-N 3.11Å; L2219-E2268 WeakPolarHBondContact O-CA 3.3Å; L2219-I2269 HydrophobicContact CB-CB 4.22Å; L2219-I2269 HydrophobicContact CB-CG1 4.44Å; L2219-I2269 WeakPolarHBondContact CB-O 3.29Å; L2219-I2269 HydrophobicContact CD1-CD1 4.42Å; L2219-I2269 HydrophobicContact CD2-CB 4.48Å; L2219-I2269 HydrophobicContact CD2-CD1 3.97Å; L2219-I2269 HydrophobicContact CD2-CG1 4.19Å; L2219-I2269 PolarHBondContact N-O 2.99Å; L2219-I2269 VanDerWaalsContact N-O 3.17Å; L2219-I2269 WeakPolarHBondContact O-CB 3.25Å; L2219-I2269 PolarHBondContact O-N 3.11Å |
| 2220 | K | 49.5 | Very low | 46 | Very low | 147.4 Ų | 147.4 | 81.3 Ų | 81.3 | 64% | 0.641 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 90.6 | 177.2 | -78.8 | -176.7 | 178.3 | -174.3 | 0 | 110.8 | T2218 K2222 Y2267 E2268 | T2218-K2220 PolarHBondContact O-N 3.08Å; T2218-K2220 VanDerWaalsContact O-N 3.17Å; K2220-K2222 PolarHBondContact O-N 3.21Å; K2220-Y2267 CarbonylContact C-O 3.41Å; K2220-Y2267 WeakPolarHBondContact CA-O 3.26Å; K2220-E2268 HydrophobicContact CD-CG 4.43Å; K2220-E2268 WeakPolarHBondContact CE-OE1 3.34Å; K2220-E2268 HydrophobicContact CG-CG 4.07Å; K2220-E2268 IonicContact NZ-OE1 2.99Å; K2220-E2268 PolarHBondContact NZ-OE1 3.4Å; K2220-E2268 VanDerWaalsContact NZ-OE1 3.14Å |
| 2221 | V | 50.8 | Low | 46.2 | Very low | 9.2 Ų | 9.2 | 78.8 Ų | 78.8 | 6% | 0.056 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 121.7 | 173.5 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | I2207 L2219 N2225 C2226 L2229 G2266 Y2267 I2269 | I2207-V2221 HydrophobicContact CG2-CG1 4.27Å; I2207-V2221 HydrophobicContact CG2-CG2 4.3Å; L2219-V2221 HydrophobicContact CD2-CG2 3.5Å; L2219-V2221 VanDerWaalsContact CD2-CG2 3.47Å; L2219-V2221 HydrophobicContact CG-CG2 4.27Å; L2219-V2221 PolarHBondContact O-N 3.21Å; L2219-V2221 VanDerWaalsContact O-N 3.11Å; V2221-N2225 HydrophobicContact CG1-CB 3.56Å; V2221-N2225 VanDerWaalsContact CG1-CB 3.46Å; V2221-C2226 VanDerWaalsContact CB-SG 3.55Å; V2221-C2226 WeakPolarHBondContact CB-SG 3.39Å; V2221-C2226 HydrophobicContact CG1-CB 4.33Å; V2221-C2226 WeakPolarHBondContact CG1-SG 3.39Å; V2221-C2226 PolarHBondContact O-SG 3.13Å; V2221-C2226 VanDerWaalsContact O-SG 3.41Å; V2221-L2229 HydrophobicContact CB-CD2 4.43Å; V2221-L2229 HydrophobicContact CG1-CB 4.37Å; V2221-L2229 HydrophobicContact CG1-CD2 4.05Å; V2221-L2229 HydrophobicContact CG2-CD2 3.87Å; V2221-G2266 CarbonylContact O-C 3.51Å; V2221-G2266 VanDerWaalsContact O-CA 3.22Å; V2221-G2266 WeakPolarHBondContact O-CA 3.33Å; V2221-Y2267 HydrophobicContact CG2-CD1 4.4Å; V2221-Y2267 PolarHBondContact N-O 3.2Å; V2221-Y2267 PolarHBondContact O-N 3.13Å; V2221-Y2267 VanDerWaalsContact O-N 3.09Å; V2221-I2269 HydrophobicContact CB-CD1 4.39Å; V2221-I2269 HydrophobicContact CG2-CD1 3.82Å; V2221-I2269 HydrophobicContact CG2-CG1 4.07Å |
| 2222 | K | 51.7 | Low | 46.7 | Very low | 116.8 Ų | 116.8 | 77.1 Ų | 77.1 | 51% | 0.508 | 42% | 0.417 | S | S | . | . | trans | -57.1 | 149.1 | 176.2 | -71.2 | -177.4 | 178.8 | 179 | 0 | 110.6 | V2145 K2146 K2220 Q2224 N2225 C2226 | V2145-K2222 VanDerWaalsContact CG1-NZ 3.29Å; K2146-K2222 PolarHBondContact O-NZ 3.18Å; K2220-K2222 PolarHBondContact O-N 3.21Å; K2222-Q2224 HydrophobicContact CB-CG 4.23Å; K2222-Q2224 PolarHBondContact O-N 3.07Å; K2222-Q2224 VanDerWaalsContact O-N 3.11Å; K2222-N2225 CarbonylContact O-C 3.43Å; K2222-N2225 WeakPolarHBondContact O-CA 3Å; K2222-N2225 PolarHBondContact O-N 3.07Å; K2222-N2225 VanDerWaalsContact O-N 3.1Å; K2222-C2226 PolarHBondContact O-N 2.96Å; K2222-C2226 VanDerWaalsContact O-N 3.07Å; K2222-C2226 PolarHBondContact O-SG 2.89Å | ||
| 2223 | P | 48.3 | Very low | 47.9 | Very low | 57.4 Ų | 57.4 | 71.7 Ų | 71.7 | 37% | 0.373 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -50.7 | -36.6 | -179.6 | -27.4 | 32.3 | 0 | 0 | 0 | 114.7 | C2226 K2227 I2263 R2264 N2265 | P2223-C2226 PolarHBondContact O-N 2.86Å; P2223-K2227 WeakPolarHBondContact O-CG 3.38Å; P2223-K2227 PolarHBondContact O-N 2.85Å; P2223-I2263 HydrophobicContact CB-CG2 4.31Å; P2223-I2263 WeakPolarHBondContact CB-O 3.35Å; P2223-R2264 VanDerWaalsContact CG-O 3.29Å; P2223-R2264 WeakPolarHBondContact CG-O 3.26Å; P2223-N2265 WeakPolarHBondContact CD-O 3.31Å; P2223-N2265 WeakPolarHBondContact CG-O 3.38Å |
| 2224 | Q | 46.6 | Very low | 48.9 | Very low | 119.4 Ų | 119.4 | 68.5 Ų | 68.5 | 56% | 0.558 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65 | -49.4 | 176.8 | -52.5 | 169.7 | -20.5 | 0 | 0 | 111.4 | S2147 L2148 K2222 C2226 K2227 F2228 | S2147-Q2224 PolarHBondContact OG-NE2 3.03Å; L2148-Q2224 HydrophobicContact CB-CB 4.47Å; L2148-Q2224 VanDerWaalsContact O-CD 3.24Å; L2148-Q2224 PolarHBondContact O-NE2 2.66Å; K2222-Q2224 HydrophobicContact CB-CG 4.23Å; K2222-Q2224 PolarHBondContact O-N 3.07Å; K2222-Q2224 VanDerWaalsContact O-N 3.11Å; Q2224-C2226 VanDerWaalsContact C-N 3.29Å; Q2224-C2226 PolarHBondContact O-N 3.05Å; Q2224-K2227 PolarHBondContact O-N 3.13Å; Q2224-F2228 WeakPolarHBondContact O-CB 3.48Å; Q2224-F2228 PolarHBondContact O-N 3.46Å |
| 2225 | N | 48.2 | Very low | 49.6 | Very low | 37.6 Ų | 37.6 | 62.8 Ų | 62.8 | 20% | 0.201 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.6 | -27.2 | 178.8 | -63.6 | 27.5 | 0 | 0 | 0 | 112.2 | I2207 Q2210 V2221 K2222 K2227 F2228 L2229 | I2207-N2225 HydrophobicContact CD1-CB 3.89Å; I2207-N2225 HydrophobicContact CG1-CB 4.32Å; Q2210-N2225 PolarHBondContact OE1-ND2 3.28Å; V2221-N2225 HydrophobicContact CG1-CB 3.56Å; V2221-N2225 VanDerWaalsContact CG1-CB 3.46Å; K2222-N2225 CarbonylContact O-C 3.43Å; K2222-N2225 WeakPolarHBondContact O-CA 3Å; K2222-N2225 PolarHBondContact O-N 3.07Å; K2222-N2225 VanDerWaalsContact O-N 3.1Å; N2225-K2227 VanDerWaalsContact C-N 3.29Å; N2225-K2227 PolarHBondContact O-N 3.07Å; N2225-F2228 WeakPolarHBondContact O-CB 3.43Å; N2225-F2228 PolarHBondContact O-N 3.25Å; N2225-L2229 VanDerWaalsContact O-CB 3.31Å; N2225-L2229 WeakPolarHBondContact O-CB 3.29Å; N2225-L2229 PolarHBondContact O-N 3Å |
| 2226 | C | 53.1 | Low | 50.4 | Low | 1.6 Ų | 1.6 | 55.1 Ų | 55.1 | 1% | 0.011 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.2 | -39.8 | 175.8 | -77.7 | 0 | 0 | 0 | 0 | 112.9 | V2221 K2222 P2223 Q2224 F2228 L2229 I2230 I2258 Y2267 | V2221-C2226 VanDerWaalsContact CB-SG 3.55Å; V2221-C2226 WeakPolarHBondContact CB-SG 3.39Å; V2221-C2226 HydrophobicContact CG1-CB 4.33Å; V2221-C2226 WeakPolarHBondContact CG1-SG 3.39Å; V2221-C2226 PolarHBondContact O-SG 3.13Å; V2221-C2226 VanDerWaalsContact O-SG 3.41Å; K2222-C2226 PolarHBondContact O-N 2.96Å; K2222-C2226 VanDerWaalsContact O-N 3.07Å; K2222-C2226 PolarHBondContact O-SG 2.89Å; P2223-C2226 PolarHBondContact O-N 2.86Å; Q2224-C2226 VanDerWaalsContact C-N 3.29Å; Q2224-C2226 PolarHBondContact O-N 3.05Å; C2226-F2228 PolarHBondContact O-N 3.06Å; C2226-L2229 PolarHBondContact O-N 3.27Å; C2226-I2230 WeakPolarHBondContact O-CB 2.99Å; C2226-I2230 WeakPolarHBondContact O-CD1 3.5Å; C2226-I2230 VanDerWaalsContact O-CG1 3.28Å; C2226-I2230 WeakPolarHBondContact O-CG1 3.29Å; C2226-I2230 PolarHBondContact O-N 2.94Å; C2226-I2258 HydrophobicContact CB-CG2 3.91Å; C2226-Y2267 HydrophobicContact CB-CD2 3.33Å; C2226-Y2267 HydrophobicContact CB-CE2 3.81Å; C2226-Y2267 HydrophobicContact CB-CG 4.11Å; C2226-Y2267 WeakPolarHBondContact SG-CB 3.4Å; C2226-Y2267 WeakPolarHBondContact SG-CD2 3.35Å |
| 2227 | K | 52 | Low | 51.3 | Low | 144 Ų | 144 | 53.2 Ų | 53.2 | 63% | 0.626 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.2 | -42.4 | 173.1 | -77.2 | -172.9 | 175 | -173.7 | 0 | 111.2 | P2223 Q2224 N2225 L2229 I2230 S2231 | P2223-K2227 WeakPolarHBondContact O-CG 3.38Å; P2223-K2227 PolarHBondContact O-N 2.85Å; Q2224-K2227 PolarHBondContact O-N 3.13Å; N2225-K2227 VanDerWaalsContact C-N 3.29Å; N2225-K2227 PolarHBondContact O-N 3.07Å; K2227-L2229 VanDerWaalsContact C-N 3.32Å; K2227-L2229 PolarHBondContact O-N 3Å; K2227-I2230 PolarHBondContact O-N 3.3Å; K2227-S2231 WeakPolarHBondContact O-CB 3.29Å; K2227-S2231 PolarHBondContact O-N 2.98Å |
| 2228 | F | 50.5 | Low | 51.8 | Low | 79.4 Ų | 79.4 | 52.2 Ų | 52.2 | 35% | 0.348 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 177.1 | -163.9 | -90.8 | 0 | 0 | 0 | 111.6 | P2150 Y2151 H2200 T2203 I2207 Q2224 N2225 C2226 I2230 S2231 C2232 | P2150-F2228 HydrophobicContact CB-CB 3.93Å; P2150-F2228 HydrophobicContact CB-CD2 3.45Å; P2150-F2228 VanDerWaalsContact CB-CD2 3.45Å; P2150-F2228 HydrophobicContact CB-CE2 4.34Å; P2150-F2228 HydrophobicContact CB-CG 4.02Å; P2150-F2228 HydrophobicContact CG-CB 3.89Å; P2150-F2228 HydrophobicContact CG-CD2 4.3Å; P2150-F2228 HydrophobicContact CG-CG 4.39Å; Y2151-F2228 AromaticContact CD2-CD2 3.58Å; Y2151-F2228 HydrophobicContact CD2-CD2 3.58Å; Y2151-F2228 HydrophobicContact CD2-CE2 4.09Å; Y2151-F2228 AromaticContact CE2-CD2 3.48Å; Y2151-F2228 HydrophobicContact CE2-CD2 3.48Å; Y2151-F2228 VanDerWaalsContact CE2-CD2 3.48Å; Y2151-F2228 AromaticContact CE2-CE2 3.73Å; Y2151-F2228 HydrophobicContact CE2-CE2 3.73Å; Y2151-F2228 HydrophobicContact CE2-CG 4.48Å; H2200-F2228 HydrophobicContact CB-CZ 4.49Å; H2200-F2228 AromaticContact CE1-CE2 3.51Å; H2200-F2228 AromaticContact CE1-CZ 3.72Å; H2200-F2228 AromaticContact CG-CZ 3.99Å; H2200-F2228 AromaticContact ND1-CE2 3.48Å; H2200-F2228 WeakPolarHBondContact ND1-CE2 3.33Å; H2200-F2228 AromaticContact ND1-CZ 3.23Å; H2200-F2228 WeakPolarHBondContact ND1-CZ 3.23Å; T2203-F2228 HydrophobicContact CG2-CD1 3.97Å; T2203-F2228 HydrophobicContact CG2-CE1 3.75Å; T2203-F2228 VanDerWaalsContact CG2-CE1 3.46Å; T2203-F2228 HydrophobicContact CG2-CZ 3.86Å; I2207-F2228 HydrophobicContact CD1-CD1 3.53Å; I2207-F2228 HydrophobicContact CD1-CE1 3.4Å; I2207-F2228 VanDerWaalsContact CD1-CE1 3.47Å; I2207-F2228 HydrophobicContact CD1-CG 4.24Å; I2207-F2228 HydrophobicContact CD1-CZ 4.44Å; Q2224-F2228 WeakPolarHBondContact O-CB 3.48Å; Q2224-F2228 PolarHBondContact O-N 3.46Å; N2225-F2228 WeakPolarHBondContact O-CB 3.43Å; N2225-F2228 PolarHBondContact O-N 3.25Å; C2226-F2228 PolarHBondContact O-N 3.06Å; F2228-I2230 VanDerWaalsContact C-N 3.34Å; F2228-I2230 PolarHBondContact O-N 3.35Å; F2228-S2231 WeakPolarHBondContact O-CA 3.24Å; F2228-S2231 VanDerWaalsContact O-CB 3.27Å; F2228-S2231 WeakPolarHBondContact O-CB 3.32Å; F2228-S2231 PolarHBondContact O-N 3.2Å; F2228-S2231 VanDerWaalsContact O-N 3.15Å; F2228-C2232 VanDerWaalsContact CD1-SG 3.59Å; F2228-C2232 WeakPolarHBondContact CD1-SG 3.21Å; F2228-C2232 VanDerWaalsContact CE1-SG 3.57Å; F2228-C2232 WeakPolarHBondContact CE1-SG 3.45Å; F2228-C2232 WeakPolarHBondContact CZ-SG 3.49Å; F2228-C2232 PolarHBondContact O-N 3.12Å; F2228-C2232 PolarHBondContact O-SG 3.1Å |
| 2229 | L | 58 | Low | 51.8 | Low | 1.6 Ų | 1.6 | 50.9 Ų | 50.9 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.9 | -47.4 | 175.4 | -176 | 69.7 | 0 | 0 | 0 | 111.8 | L2204 I2207 V2221 N2225 C2226 K2227 S2231 C2232 L2233 I2254 I2258 Y2267 I2269 L2277 | L2204-L2229 HydrophobicContact CD1-CD1 3.72Å; L2204-L2229 HydrophobicContact CD2-CD1 3.97Å; L2204-L2229 HydrophobicContact CG-CD1 4.19Å; I2207-L2229 HydrophobicContact CD1-CB 4.29Å; I2207-L2229 HydrophobicContact CD1-CD1 4.12Å; I2207-L2229 HydrophobicContact CG2-CD1 4.19Å; V2221-L2229 HydrophobicContact CB-CD2 4.43Å; V2221-L2229 HydrophobicContact CG1-CB 4.37Å; V2221-L2229 HydrophobicContact CG1-CD2 4.05Å; V2221-L2229 HydrophobicContact CG2-CD2 3.87Å; N2225-L2229 VanDerWaalsContact O-CB 3.31Å; N2225-L2229 WeakPolarHBondContact O-CB 3.29Å; N2225-L2229 PolarHBondContact O-N 3Å; C2226-L2229 PolarHBondContact O-N 3.27Å; K2227-L2229 VanDerWaalsContact C-N 3.32Å; K2227-L2229 PolarHBondContact O-N 3Å; L2229-S2231 VanDerWaalsContact C-N 3.31Å; L2229-S2231 PolarHBondContact O-N 3.1Å; L2229-C2232 WeakPolarHBondContact O-CB 3.48Å; L2229-C2232 PolarHBondContact O-N 3.25Å; L2229-L2233 HydrophobicContact CD1-CD1 3.79Å; L2229-L2233 HydrophobicContact CD1-CD2 4.31Å; L2229-L2233 HydrophobicContact CD1-CG 3.89Å; L2229-L2233 HydrophobicContact CG-CD1 4.02Å; L2229-L2233 HydrophobicContact CG-CG 4.3Å; L2229-L2233 VanDerWaalsContact O-CB 3.27Å; L2229-L2233 WeakPolarHBondContact O-CB 3.28Å; L2229-L2233 VanDerWaalsContact O-CG 3.25Å; L2229-L2233 WeakPolarHBondContact O-CG 3.3Å; L2229-L2233 PolarHBondContact O-N 3.22Å; L2229-I2254 HydrophobicContact CD2-CG2 4.31Å; L2229-I2258 HydrophobicContact CD2-CD1 3.8Å; L2229-I2258 HydrophobicContact CG-CD1 4.35Å; L2229-Y2267 HydrophobicContact CD2-CD1 4.48Å; L2229-I2269 HydrophobicContact CD2-CD1 4.01Å; L2229-L2277 HydrophobicContact CD1-CD2 4.37Å; L2229-L2277 HydrophobicContact CD2-CD1 4.18Å |
| 2230 | I | 60.5 | Low | 51.2 | Low | 25.2 Ų | 25.2 | 55.5 Ų | 55.5 | 13% | 0.129 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 175.1 | -69.9 | 166 | 0 | 0 | 0 | 110.5 | C2226 K2227 F2228 C2232 L2233 S2234 I2255 I2258 | C2226-I2230 WeakPolarHBondContact O-CB 2.99Å; C2226-I2230 WeakPolarHBondContact O-CD1 3.5Å; C2226-I2230 VanDerWaalsContact O-CG1 3.28Å; C2226-I2230 WeakPolarHBondContact O-CG1 3.29Å; C2226-I2230 PolarHBondContact O-N 2.94Å; K2227-I2230 PolarHBondContact O-N 3.3Å; F2228-I2230 VanDerWaalsContact C-N 3.34Å; F2228-I2230 PolarHBondContact O-N 3.35Å; I2230-C2232 PolarHBondContact O-N 3.06Å; I2230-L2233 PolarHBondContact O-N 2.89Å; I2230-S2234 VanDerWaalsContact O-CB 3.26Å; I2230-S2234 WeakPolarHBondContact O-CB 3.16Å; I2230-S2234 PolarHBondContact O-N 3.1Å; I2230-S2234 PolarHBondContact O-OG 3.13Å; I2230-I2255 HydrophobicContact CG2-CG2 4.45Å; I2230-I2258 HydrophobicContact CD1-CB 4.1Å; I2230-I2258 HydrophobicContact CD1-CG2 3.78Å; I2230-I2258 HydrophobicContact CG1-CB 4.36Å; I2230-I2258 HydrophobicContact CG1-CD1 4.1Å; I2230-I2258 HydrophobicContact CG1-CG2 4.18Å |
| 2231 | S | 53.5 | Low | 50.9 | Low | 59.2 Ų | 59.2 | 51.1 Ų | 51.1 | 41% | 0.414 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 178.8 | -163.4 | 0 | 0 | 0 | 0 | 112.1 | Y2151 K2227 F2228 L2229 L2233 S2234 G2235 | Y2151-S2231 VanDerWaalsContact CE1-OG 3.28Å; Y2151-S2231 WeakPolarHBondContact CE1-OG 3.4Å; Y2151-S2231 VanDerWaalsContact CZ-CB 3.49Å; Y2151-S2231 WeakPolarHBondContact OH-CB 3.38Å; Y2151-S2231 PolarHBondContact OH-OG 3.48Å; K2227-S2231 WeakPolarHBondContact O-CB 3.29Å; K2227-S2231 PolarHBondContact O-N 2.98Å; F2228-S2231 WeakPolarHBondContact O-CA 3.24Å; F2228-S2231 VanDerWaalsContact O-CB 3.27Å; F2228-S2231 WeakPolarHBondContact O-CB 3.32Å; F2228-S2231 PolarHBondContact O-N 3.2Å; F2228-S2231 VanDerWaalsContact O-N 3.15Å; L2229-S2231 VanDerWaalsContact C-N 3.31Å; L2229-S2231 PolarHBondContact O-N 3.1Å; S2231-L2233 VanDerWaalsContact C-N 3.34Å; S2231-L2233 PolarHBondContact O-N 2.82Å; S2231-S2234 PolarHBondContact O-N 3.18Å; S2231-S2234 VanDerWaalsContact O-N 3.17Å; S2231-G2235 PolarHBondContact O-N 3.26Å |
| 2232 | C | 53.9 | Low | 50.4 | Low | 6.8 Ų | 6.8 | 58.5 Ų | 58.5 | 5% | 0.046 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 177.1 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | H2200 L2204 F2228 L2229 I2230 S2234 G2235 I2236 | H2200-C2232 PolarHBondContact CD2-O 3.34Å; H2200-C2232 VanDerWaalsContact CD2-SG 3.58Å; H2200-C2232 PolarHBondContact NE2-O 3.39Å; L2204-C2232 HydrophobicContact CD1-CB 3.66Å; L2204-C2232 HydrophobicContact CD2-CB 4.32Å; L2204-C2232 HydrophobicContact CG-CB 3.65Å; F2228-C2232 VanDerWaalsContact CD1-SG 3.59Å; F2228-C2232 WeakPolarHBondContact CD1-SG 3.21Å; F2228-C2232 VanDerWaalsContact CE1-SG 3.57Å; F2228-C2232 WeakPolarHBondContact CE1-SG 3.45Å; F2228-C2232 WeakPolarHBondContact CZ-SG 3.49Å; F2228-C2232 PolarHBondContact O-N 3.12Å; F2228-C2232 PolarHBondContact O-SG 3.1Å; L2229-C2232 WeakPolarHBondContact O-CB 3.48Å; L2229-C2232 PolarHBondContact O-N 3.25Å; I2230-C2232 PolarHBondContact O-N 3.06Å; C2232-S2234 VanDerWaalsContact C-N 3.31Å; C2232-S2234 PolarHBondContact O-N 3.18Å; C2232-G2235 PolarHBondContact O-N 3.29Å; C2232-I2236 WeakPolarHBondContact O-CD1 3.37Å; C2232-I2236 WeakPolarHBondContact O-CG1 3.38Å; C2232-I2236 PolarHBondContact O-N 2.98Å; C2232-I2236 VanDerWaalsContact O-N 3.11Å |
| 2233 | L | 61.9 | Low | 50.3 | Low | 0.8 Ų | 0.8 | 54.4 Ų | 54.4 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 177.2 | -68.7 | 174.4 | 0 | 0 | 0 | 111.9 | L2204 L2229 I2230 S2231 I2236 I2237 T2251 I2254 I2255 I2258 Y2280 Y2281 | L2204-L2233 HydrophobicContact CD1-CD2 4.08Å; L2204-L2233 HydrophobicContact CD1-CG 4.5Å; L2204-L2233 HydrophobicContact CD2-CD2 3.87Å; L2204-L2233 HydrophobicContact CD2-CG 4.44Å; L2229-L2233 HydrophobicContact CD1-CD1 3.79Å; L2229-L2233 HydrophobicContact CD1-CD2 4.31Å; L2229-L2233 HydrophobicContact CD1-CG 3.89Å; L2229-L2233 HydrophobicContact CG-CD1 4.02Å; L2229-L2233 HydrophobicContact CG-CG 4.3Å; L2229-L2233 VanDerWaalsContact O-CB 3.27Å; L2229-L2233 WeakPolarHBondContact O-CB 3.28Å; L2229-L2233 VanDerWaalsContact O-CG 3.25Å; L2229-L2233 WeakPolarHBondContact O-CG 3.3Å; L2229-L2233 PolarHBondContact O-N 3.22Å; I2230-L2233 PolarHBondContact O-N 2.89Å; S2231-L2233 VanDerWaalsContact C-N 3.34Å; S2231-L2233 PolarHBondContact O-N 2.82Å; L2233-I2236 PolarHBondContact O-N 3.19Å; L2233-I2237 WeakPolarHBondContact O-CG1 3.24Å; L2233-I2237 PolarHBondContact O-N 3.18Å; L2233-T2251 HydrophobicContact CB-CG2 3.82Å; L2233-T2251 HydrophobicContact CD1-CG2 4.12Å; L2233-T2251 HydrophobicContact CD2-CG2 3.9Å; L2233-T2251 HydrophobicContact CG-CG2 4.26Å; L2233-T2251 VanDerWaalsContact O-CG2 3.29Å; L2233-T2251 WeakPolarHBondContact O-CG2 3.41Å; L2233-I2254 HydrophobicContact CD1-CB 4.3Å; L2233-I2254 HydrophobicContact CD1-CG2 3.63Å; L2233-I2254 VanDerWaalsContact CD1-CG2 3.48Å; L2233-I2255 HydrophobicContact CB-CD1 3.94Å; L2233-I2255 HydrophobicContact CB-CG1 4.04Å; L2233-I2255 HydrophobicContact CD1-CG1 4.22Å; L2233-I2258 HydrophobicContact CD1-CD1 4.2Å; L2233-Y2280 HydrophobicContact CD2-CD1 4.15Å; L2233-Y2280 HydrophobicContact CD2-CE1 3.9Å; L2233-Y2281 HydrophobicContact CD2-CE2 4.43Å; L2233-Y2281 WeakPolarHBondContact CD2-OH 3.4Å |
| 2234 | S | 59.5 | Low | 50.6 | Low | 39.6 Ų | 39.6 | 54.3 Ų | 54.3 | 28% | 0.277 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.6 | -42.3 | 175.9 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | I2230 S2231 C2232 I2236 I2237 S2238 | I2230-S2234 VanDerWaalsContact O-CB 3.26Å; I2230-S2234 WeakPolarHBondContact O-CB 3.16Å; I2230-S2234 PolarHBondContact O-N 3.1Å; I2230-S2234 PolarHBondContact O-OG 3.13Å; S2231-S2234 PolarHBondContact O-N 3.18Å; S2231-S2234 VanDerWaalsContact O-N 3.17Å; C2232-S2234 VanDerWaalsContact C-N 3.31Å; C2232-S2234 PolarHBondContact O-N 3.18Å; S2234-I2236 VanDerWaalsContact C-N 3.3Å; S2234-I2236 PolarHBondContact O-N 3.24Å; S2234-I2237 WeakPolarHBondContact O-CB 3.37Å; S2234-I2237 PolarHBondContact O-N 2.99Å; S2234-I2237 VanDerWaalsContact O-N 3.08Å; S2234-S2238 WeakPolarHBondContact O-CB 3.12Å; S2234-S2238 PolarHBondContact O-N 3.28Å; S2234-S2238 VanDerWaalsContact O-N 3.1Å; S2234-S2238 PolarHBondContact O-OG 3.07Å; S2234-S2238 VanDerWaalsContact O-OG 3.08Å |
| 2235 | G | 48 | Very low | 51 | Low | 24.4 Ų | 24.4 | 52.4 Ų | 52.4 | 25% | 0.252 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.4 | -33.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S2231 C2232 I2237 S2238 S2239 | S2231-G2235 PolarHBondContact O-N 3.26Å; C2232-G2235 PolarHBondContact O-N 3.29Å; G2235-I2237 PolarHBondContact O-N 2.93Å; G2235-S2238 VanDerWaalsContact CA-OG 3.28Å; G2235-S2238 WeakPolarHBondContact CA-OG 3.44Å; G2235-S2238 CarbonylContact O-C 3.57Å; G2235-S2238 PolarHBondContact O-N 3.14Å; G2235-S2238 VanDerWaalsContact O-N 3.14Å; G2235-S2238 PolarHBondContact O-OG 3.37Å; G2235-S2239 PolarHBondContact O-N 3.03Å; G2235-S2239 VanDerWaalsContact O-N 3.11Å |
| 2236 | I | 51.7 | Low | 51.3 | Low | 11.8 Ų | 11.8 | 55.1 Ų | 55.1 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.5 | -43.5 | 172.4 | -69.9 | 162.8 | 0 | 0 | 0 | 111.4 | L2197 H2200 V2201 L2204 C2232 L2233 S2234 S2238 S2239 I2243 Y2280 Y2281 L2284 | L2197-I2236 HydrophobicContact CD1-CG1 3.9Å; H2200-I2236 HydrophobicContact CB-CD1 4.39Å; V2201-I2236 HydrophobicContact CG2-CD1 3.77Å; V2201-I2236 HydrophobicContact CG2-CG1 4.14Å; L2204-I2236 HydrophobicContact CD1-CD1 3.47Å; L2204-I2236 VanDerWaalsContact CD1-CD1 3.43Å; L2204-I2236 HydrophobicContact CD1-CG1 4.45Å; C2232-I2236 WeakPolarHBondContact O-CD1 3.37Å; C2232-I2236 WeakPolarHBondContact O-CG1 3.38Å; C2232-I2236 PolarHBondContact O-N 2.98Å; C2232-I2236 VanDerWaalsContact O-N 3.11Å; L2233-I2236 PolarHBondContact O-N 3.19Å; S2234-I2236 VanDerWaalsContact C-N 3.3Å; S2234-I2236 PolarHBondContact O-N 3.24Å; I2236-S2238 VanDerWaalsContact C-N 3.3Å; I2236-S2238 PolarHBondContact O-N 3.24Å; I2236-S2239 VanDerWaalsContact O-CB 3.22Å; I2236-S2239 WeakPolarHBondContact O-CB 3.31Å; I2236-S2239 PolarHBondContact O-N 3.19Å; I2236-S2239 VanDerWaalsContact O-N 3.15Å; I2236-I2243 HydrophobicContact CG2-CD1 3.71Å; I2236-I2243 HydrophobicContact CG2-CG1 4.47Å; I2236-I2243 VanDerWaalsContact O-CD1 3.29Å; I2236-I2243 WeakPolarHBondContact O-CD1 3.31Å; I2236-Y2280 HydrophobicContact CD1-CE1 4.3Å; I2236-Y2280 WeakPolarHBondContact CD1-OH 3.5Å; I2236-Y2280 HydrophobicContact CG2-CE1 4.43Å; I2236-Y2280 VanDerWaalsContact CG2-OH 3.28Å; I2236-Y2280 WeakPolarHBondContact CG2-OH 3.36Å; I2236-Y2281 HydrophobicContact CD1-CD1 3.97Å; I2236-Y2281 HydrophobicContact CD1-CE1 3.38Å; I2236-Y2281 VanDerWaalsContact CD1-CE1 3.46Å; I2236-Y2281 HydrophobicContact CG1-CE1 4.12Å; I2236-Y2281 HydrophobicContact CG2-CE1 4.23Å; I2236-L2284 HydrophobicContact CD1-CD1 4.29Å; I2236-L2284 HydrophobicContact CG2-CD1 4.27Å |
| 2237 | I | 52.8 | Low | 51.6 | Low | 59 Ų | 59 | 55.8 Ų | 55.8 | 30% | 0.303 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.5 | -35.5 | 176.2 | -68.8 | 168.5 | 0 | 0 | 0 | 111.8 | L2233 S2234 G2235 S2239 I2243 T2251 L2252 I2255 | L2233-I2237 WeakPolarHBondContact O-CG1 3.24Å; L2233-I2237 PolarHBondContact O-N 3.18Å; S2234-I2237 WeakPolarHBondContact O-CB 3.37Å; S2234-I2237 PolarHBondContact O-N 2.99Å; S2234-I2237 VanDerWaalsContact O-N 3.08Å; G2235-I2237 PolarHBondContact O-N 2.93Å; I2237-S2239 VanDerWaalsContact C-N 3.3Å; I2237-S2239 PolarHBondContact O-N 3.22Å; I2237-I2243 HydrophobicContact CG1-CD1 4.4Å; I2237-T2251 HydrophobicContact CD1-CG2 3.68Å; I2237-T2251 VanDerWaalsContact CD1-CG2 3.46Å; I2237-T2251 HydrophobicContact CG1-CG2 3.88Å; I2237-L2252 HydrophobicContact CD1-CD2 3.8Å; I2237-L2252 HydrophobicContact CD1-CG 4.04Å; I2237-I2255 HydrophobicContact CD1-CD1 3.69Å; I2237-I2255 VanDerWaalsContact CD1-CD1 3.46Å |
| 2238 | S | 46.2 | Very low | 51.9 | Low | 75.2 Ų | 75.2 | 51 Ų | 51 | 53% | 0.526 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -3.6 | 178.1 | -16.1 | 0 | 0 | 0 | 0 | 113.9 | H2105 S2234 G2235 I2236 | H2105-S2238 PolarHBondContact CE1-O 3.28Å; H2105-S2238 WeakPolarHBondContact NE2-CA 3.48Å; H2105-S2238 PolarHBondContact NE2-O 2.84Å; S2234-S2238 WeakPolarHBondContact O-CB 3.12Å; S2234-S2238 PolarHBondContact O-N 3.28Å; S2234-S2238 VanDerWaalsContact O-N 3.1Å; S2234-S2238 PolarHBondContact O-OG 3.07Å; S2234-S2238 VanDerWaalsContact O-OG 3.08Å; G2235-S2238 VanDerWaalsContact CA-OG 3.28Å; G2235-S2238 WeakPolarHBondContact CA-OG 3.44Å; G2235-S2238 CarbonylContact O-C 3.57Å; G2235-S2238 PolarHBondContact O-N 3.14Å; G2235-S2238 VanDerWaalsContact O-N 3.14Å; G2235-S2238 PolarHBondContact O-OG 3.37Å; I2236-S2238 VanDerWaalsContact C-N 3.3Å; I2236-S2238 PolarHBondContact O-N 3.24Å |
| 2239 | S | 44.3 | Very low | 52.5 | Low | 27.8 Ų | 27.8 | 53.7 Ų | 53.7 | 19% | 0.194 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -76 | 137 | -180 | -173.3 | 0 | 0 | 0 | 0 | 111 | L2197 G2235 I2236 I2237 M2241 | L2197-S2239 VanDerWaalsContact CD2-OG 3.29Å; L2197-S2239 WeakPolarHBondContact CD2-OG 3.49Å; G2235-S2239 PolarHBondContact O-N 3.03Å; G2235-S2239 VanDerWaalsContact O-N 3.11Å; I2236-S2239 VanDerWaalsContact O-CB 3.22Å; I2236-S2239 WeakPolarHBondContact O-CB 3.31Å; I2236-S2239 PolarHBondContact O-N 3.19Å; I2236-S2239 VanDerWaalsContact O-N 3.15Å; I2237-S2239 VanDerWaalsContact C-N 3.3Å; I2237-S2239 PolarHBondContact O-N 3.22Å; S2239-M2241 PolarHBondContact O-N 3.15Å; S2239-M2241 VanDerWaalsContact O-N 3.1Å |
| 2240 | P | 34.6 | Very low | 52.8 | Low | 122.2 Ų | 122.2 | 55.6 Ų | 55.6 | 79% | 0.794 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -70.4 | 9.7 | 178.1 | 21.4 | -24.6 | 0 | 0 | 0 | 114.3 | ||
| 2241 | M | 43.1 | Very low | 52.9 | Low | 53.6 Ų | 53.6 | 54.5 Ų | 54.5 | 26% | 0.264 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -77.5 | 140.1 | 175.3 | -88.2 | -167.5 | 137.1 | 0 | 0 | 111.7 | V2193 L2197 S2239 I2243 L2284 T2287 L2288 K2291 | V2193-M2241 HydrophobicContact CG1-CE 3.48Å; V2193-M2241 VanDerWaalsContact CG1-CE 3.48Å; V2193-M2241 HydrophobicContact CG1-CG 3.33Å; V2193-M2241 HydrophobicContact CG1-SD 3.27Å; V2193-M2241 WeakPolarHBondContact CG1-SD 3.43Å; L2197-M2241 HydrophobicContact CD1-CE 3.87Å; L2197-M2241 HydrophobicContact CD1-SD 3.26Å; L2197-M2241 WeakPolarHBondContact CD1-SD 3.45Å; L2197-M2241 HydrophobicContact CD2-CG 4.4Å; L2197-M2241 HydrophobicContact CD2-SD 3.99Å; S2239-M2241 PolarHBondContact O-N 3.15Å; S2239-M2241 VanDerWaalsContact O-N 3.1Å; M2241-I2243 VanDerWaalsContact C-N 3.27Å; M2241-I2243 HydrophobicContact CB-CD1 4.47Å; M2241-I2243 HydrophobicContact CB-CG1 3.79Å; M2241-I2243 WeakPolarHBondContact O-CG1 3.15Å; M2241-I2243 PolarHBondContact O-N 3.05Å; M2241-L2284 HydrophobicContact CE-CD1 3.67Å; M2241-L2284 HydrophobicContact SD-CD1 3.63Å; M2241-T2287 HydrophobicContact CE-CG2 4.17Å; M2241-L2288 HydrophobicContact CE-CD2 3.95Å; M2241-L2288 HydrophobicContact SD-CD2 3.95Å; M2241-L2288 WeakPolarHBondContact SD-CD2 3.19Å; M2241-K2291 HydrophobicContact CE-CD 4.15Å |
| 2242 | L | 40.8 | Very low | 53.4 | Low | 165.8 Ų | 165.8 | 55.3 Ų | 55.3 | 87% | 0.868 | 32% | 0.32 | S | S | * | . | trans | -66 | 87.6 | 168.7 | -85 | 157.8 | 0 | 0 | 0 | 110.6 | K2291 | L2242-K2291 PolarHBondContact O-NZ 3.4Š| ||
| 2243 | I | 49.1 | Very low | 54 | Low | 29.8 Ų | 29.8 | 59.5 Ų | 59.5 | 15% | 0.153 | 34% | 0.339 | C | S | . | . | trans | -78.5 | 131 | 170.5 | -56.9 | 167.3 | 0 | 0 | 0 | 108 | I2236 I2237 M2241 S2245 I2247 V2248 Y2280 | I2236-I2243 HydrophobicContact CG2-CD1 3.71Å; I2236-I2243 HydrophobicContact CG2-CG1 4.47Å; I2236-I2243 VanDerWaalsContact O-CD1 3.29Å; I2236-I2243 WeakPolarHBondContact O-CD1 3.31Å; I2237-I2243 HydrophobicContact CG1-CD1 4.4Å; M2241-I2243 VanDerWaalsContact C-N 3.27Å; M2241-I2243 HydrophobicContact CB-CD1 4.47Å; M2241-I2243 HydrophobicContact CB-CG1 3.79Å; M2241-I2243 WeakPolarHBondContact O-CG1 3.15Å; M2241-I2243 PolarHBondContact O-N 3.05Å; I2243-S2245 PolarHBondContact O-N 3.25Å; I2243-I2247 HydrophobicContact CG2-CB 3.76Å; I2243-I2247 HydrophobicContact CG2-CG2 3.53Å; I2243-I2247 VanDerWaalsContact CG2-CG2 3.43Å; I2243-V2248 HydrophobicContact CB-CG2 3.8Å; I2243-V2248 HydrophobicContact CD1-CG2 4.29Å; I2243-V2248 HydrophobicContact CG2-CG2 3.68Å; I2243-V2248 VanDerWaalsContact CG2-CG2 3.49Å; I2243-Y2280 HydrophobicContact CG2-CE1 4.32Å | ||
| 2244 | P | 54 | Low | 54.2 | Low | 55.6 Ų | 55.6 | 59.6 Ų | 59.6 | 36% | 0.361 | 34% | 0.339 | S | S | . | . | trans | -52 | 135.4 | 174.6 | -26.4 | 33.5 | 0 | 0 | 0 | 111.8 | D2246 I2247 V2248 Y2280 T2287 | P2244-D2246 WeakPolarHBondContact CB-OD1 3.45Å; P2244-D2246 PolarHBondContact O-N 3.3Å; P2244-D2246 VanDerWaalsContact O-N 3.09Å; P2244-I2247 HydrophobicContact CB-CB 4.33Å; P2244-I2247 HydrophobicContact CB-CD1 4.4Å; P2244-I2247 HydrophobicContact CB-CG1 4.2Å; P2244-I2247 HydrophobicContact CG-CD1 4.11Å; P2244-I2247 HydrophobicContact CG-CG1 4.37Å; P2244-I2247 CarbonylContact O-C 3.55Å; P2244-I2247 WeakPolarHBondContact O-CA 3.37Å; P2244-I2247 WeakPolarHBondContact O-CB 3.3Å; P2244-I2247 PolarHBondContact O-N 3.18Å; P2244-V2248 PolarHBondContact O-N 3.28Å; P2244-V2248 VanDerWaalsContact O-N 3.14Å; P2244-Y2280 HydrophobicContact CG-CD2 4.23Å; P2244-Y2280 HydrophobicContact CG-CE2 3.97Å; P2244-T2287 HydrophobicContact CG-CG2 4.23Å | ||
| 2245 | S | 54.3 | Low | 54.4 | Low | 80.2 Ų | 80.2 | 58.7 Ų | 58.7 | 56% | 0.561 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -58.2 | -26.5 | -173.4 | 67.1 | 0 | 0 | 0 | 0 | 114 | I2243 I2247 V2248 K2249 | I2243-S2245 PolarHBondContact O-N 3.25Å; S2245-I2247 VanDerWaalsContact C-N 3.34Å; S2245-V2248 PolarHBondContact O-N 3.31Å; S2245-K2249 WeakPolarHBondContact O-CB 3.29Å; S2245-K2249 WeakPolarHBondContact O-CD 3.49Å; S2245-K2249 VanDerWaalsContact O-CG 3.24Å; S2245-K2249 WeakPolarHBondContact O-CG 3.34Å; S2245-K2249 PolarHBondContact O-N 3.15Å; S2245-K2249 VanDerWaalsContact O-N 3.08Å |
| 2246 | D | 56.5 | Low | 55.2 | Low | 93.6 Ų | 93.6 | 63.7 Ų | 63.7 | 50% | 0.501 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -72.6 | -37.4 | 176.6 | -10.6 | -39 | 0 | 0 | 0 | 111.5 | P2244 K2249 L2250 K2276 | P2244-D2246 WeakPolarHBondContact CB-OD1 3.45Å; P2244-D2246 PolarHBondContact O-N 3.3Å; P2244-D2246 VanDerWaalsContact O-N 3.09Å; D2246-K2249 PolarHBondContact O-N 2.77Å; D2246-L2250 WeakPolarHBondContact O-CB 3.45Å; D2246-L2250 WeakPolarHBondContact O-CD1 3.31Å; D2246-L2250 VanDerWaalsContact O-CG 3.22Å; D2246-L2250 WeakPolarHBondContact O-CG 3.32Å; D2246-L2250 PolarHBondContact O-N 3.01Å; D2246-K2276 IonicContact OD2-NZ 3.98Å |
| 2247 | I | 59.3 | Low | 55.8 | Low | 16 Ų | 16 | 66.2 Ų | 66.2 | 8% | 0.082 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 172.5 | -63.7 | -134.8 | 0 | 0 | 0 | 109.9 | I2243 P2244 S2245 K2249 L2250 T2251 K2276 L2277 Y2280 L2284 | I2243-I2247 HydrophobicContact CG2-CB 3.76Å; I2243-I2247 HydrophobicContact CG2-CG2 3.53Å; I2243-I2247 VanDerWaalsContact CG2-CG2 3.43Å; P2244-I2247 HydrophobicContact CB-CB 4.33Å; P2244-I2247 HydrophobicContact CB-CD1 4.4Å; P2244-I2247 HydrophobicContact CB-CG1 4.2Å; P2244-I2247 HydrophobicContact CG-CD1 4.11Å; P2244-I2247 HydrophobicContact CG-CG1 4.37Å; P2244-I2247 CarbonylContact O-C 3.55Å; P2244-I2247 WeakPolarHBondContact O-CA 3.37Å; P2244-I2247 WeakPolarHBondContact O-CB 3.3Å; P2244-I2247 PolarHBondContact O-N 3.18Å; S2245-I2247 VanDerWaalsContact C-N 3.34Å; I2247-K2249 VanDerWaalsContact C-N 3.34Å; I2247-K2249 PolarHBondContact O-N 2.76Å; I2247-L2250 HydrophobicContact CD1-CD1 4.43Å; I2247-L2250 CarbonylContact O-C 3.55Å; I2247-L2250 WeakPolarHBondContact O-CA 3.3Å; I2247-L2250 WeakPolarHBondContact O-CB 3.38Å; I2247-L2250 PolarHBondContact O-N 3.19Å; I2247-T2251 VanDerWaalsContact O-CB 3.25Å; I2247-T2251 WeakPolarHBondContact O-CB 3.36Å; I2247-T2251 PolarHBondContact O-N 3.05Å; I2247-T2251 PolarHBondContact O-OG1 3.03Å; I2247-K2276 HydrophobicContact CD1-CB 4.34Å; I2247-L2277 HydrophobicContact CG2-CD2 4.43Å; I2247-Y2280 HydrophobicContact CB-CE2 4.38Å; I2247-Y2280 HydrophobicContact CB-CG 4.49Å; I2247-Y2280 HydrophobicContact CD1-CG 4.26Å; I2247-Y2280 HydrophobicContact CG1-CD2 4.13Å; I2247-Y2280 HydrophobicContact CG1-CG 4.04Å; I2247-Y2280 HydrophobicContact CG2-CD1 3.7Å; I2247-Y2280 HydrophobicContact CG2-CD2 4.09Å; I2247-Y2280 HydrophobicContact CG2-CE1 3.94Å; I2247-Y2280 HydrophobicContact CG2-CE2 3.3Å; I2247-Y2280 HydrophobicContact CG2-CG 4Å; I2247-Y2280 WeakPolarHBondContact O-CE2 3.48Å; I2247-L2284 HydrophobicContact CG2-CD1 3.87Å |
| 2248 | V | 58.4 | Low | 56.1 | Low | 42.6 Ų | 42.6 | 63.6 Ų | 63.6 | 26% | 0.258 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 175.2 | -180 | 0 | 0 | 0 | 0 | 111.2 | I2243 P2244 S2245 L2250 T2251 L2252 | I2243-V2248 HydrophobicContact CB-CG2 3.8Å; I2243-V2248 HydrophobicContact CD1-CG2 4.29Å; I2243-V2248 HydrophobicContact CG2-CG2 3.68Å; I2243-V2248 VanDerWaalsContact CG2-CG2 3.49Å; P2244-V2248 PolarHBondContact O-N 3.28Å; P2244-V2248 VanDerWaalsContact O-N 3.14Å; S2245-V2248 PolarHBondContact O-N 3.31Å; V2248-L2250 VanDerWaalsContact C-N 3.33Å; V2248-L2250 PolarHBondContact O-N 2.96Å; V2248-T2251 PolarHBondContact O-N 3.01Å; V2248-L2252 HydrophobicContact CG1-CD1 4.03Å; V2248-L2252 HydrophobicContact CG1-CG 4.36Å; V2248-L2252 WeakPolarHBondContact O-CB 3.11Å; V2248-L2252 WeakPolarHBondContact O-CG 3.37Å; V2248-L2252 PolarHBondContact O-N 2.99Å |
| 2249 | K | 62.8 | Low | 56.9 | Low | 137.8 Ų | 137.8 | 64.9 Ų | 64.9 | 60% | 0.599 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.9 | -43.7 | 175.7 | -79.6 | 174.7 | 179.7 | 172.5 | 0 | 112.2 | S2245 D2246 I2247 T2251 L2252 Q2253 | S2245-K2249 WeakPolarHBondContact O-CB 3.29Å; S2245-K2249 WeakPolarHBondContact O-CD 3.49Å; S2245-K2249 VanDerWaalsContact O-CG 3.24Å; S2245-K2249 WeakPolarHBondContact O-CG 3.34Å; S2245-K2249 PolarHBondContact O-N 3.15Å; S2245-K2249 VanDerWaalsContact O-N 3.08Å; D2246-K2249 PolarHBondContact O-N 2.77Å; I2247-K2249 VanDerWaalsContact C-N 3.34Å; I2247-K2249 PolarHBondContact O-N 2.76Å; K2249-T2251 VanDerWaalsContact C-N 3.31Å; K2249-T2251 PolarHBondContact O-N 2.93Å; K2249-L2252 PolarHBondContact O-N 3.12Å; K2249-Q2253 VanDerWaalsContact O-CB 3.3Å; K2249-Q2253 WeakPolarHBondContact O-CB 3.28Å; K2249-Q2253 VanDerWaalsContact O-CG 3.26Å; K2249-Q2253 WeakPolarHBondContact O-CG 3.34Å; K2249-Q2253 PolarHBondContact O-N 3.16Å |
| 2250 | L | 63.6 | Low | 57.5 | Low | 41.4 Ų | 41.4 | 67.9 Ų | 67.9 | 22% | 0.217 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63 | -41.4 | 175.2 | -92.2 | 152.8 | 0 | 0 | 0 | 111.9 | D2246 I2247 V2248 L2252 Q2253 I2254 T2273 K2276 Y2280 | D2246-L2250 WeakPolarHBondContact O-CB 3.45Å; D2246-L2250 WeakPolarHBondContact O-CD1 3.31Å; D2246-L2250 VanDerWaalsContact O-CG 3.22Å; D2246-L2250 WeakPolarHBondContact O-CG 3.32Å; D2246-L2250 PolarHBondContact O-N 3.01Å; I2247-L2250 HydrophobicContact CD1-CD1 4.43Å; I2247-L2250 CarbonylContact O-C 3.55Å; I2247-L2250 WeakPolarHBondContact O-CA 3.3Å; I2247-L2250 WeakPolarHBondContact O-CB 3.38Å; I2247-L2250 PolarHBondContact O-N 3.19Å; V2248-L2250 VanDerWaalsContact C-N 3.33Å; V2248-L2250 PolarHBondContact O-N 2.96Å; L2250-L2252 PolarHBondContact O-N 3.17Å; L2250-Q2253 PolarHBondContact O-N 2.98Å; L2250-I2254 HydrophobicContact CD2-CD1 4.25Å; L2250-I2254 WeakPolarHBondContact O-CB 3.3Å; L2250-I2254 WeakPolarHBondContact O-CD1 3.38Å; L2250-I2254 VanDerWaalsContact O-CG1 3.27Å; L2250-I2254 WeakPolarHBondContact O-CG1 3.33Å; L2250-I2254 PolarHBondContact O-N 3.07Å; L2250-T2273 HydrophobicContact CD2-CG2 4.25Å; L2250-K2276 HydrophobicContact CD1-CB 4.35Å; L2250-K2276 HydrophobicContact CD1-CD 3.51Å; L2250-K2276 VanDerWaalsContact CD1-CD 3.44Å; L2250-K2276 HydrophobicContact CD2-CB 3.94Å; L2250-K2276 HydrophobicContact CD2-CD 4.37Å; L2250-K2276 HydrophobicContact CD2-CG 4.19Å; L2250-K2276 WeakPolarHBondContact CD2-O 3.42Å; L2250-Y2280 HydrophobicContact CB-CD2 4.06Å; L2250-Y2280 HydrophobicContact CB-CE2 4.37Å |
| 2251 | T | 62.4 | Low | 58.3 | Low | 1.4 Ų | 1.4 | 66.4 Ų | 66.4 | 1% | 0.009 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 178 | -45.2 | 0 | 0 | 0 | 0 | 111 | L2233 I2237 I2247 V2248 K2249 Q2253 I2254 I2255 Y2280 | L2233-T2251 HydrophobicContact CB-CG2 3.82Å; L2233-T2251 HydrophobicContact CD1-CG2 4.12Å; L2233-T2251 HydrophobicContact CD2-CG2 3.9Å; L2233-T2251 HydrophobicContact CG-CG2 4.26Å; L2233-T2251 VanDerWaalsContact O-CG2 3.29Å; L2233-T2251 WeakPolarHBondContact O-CG2 3.41Å; I2237-T2251 HydrophobicContact CD1-CG2 3.68Å; I2237-T2251 VanDerWaalsContact CD1-CG2 3.46Å; I2237-T2251 HydrophobicContact CG1-CG2 3.88Å; I2247-T2251 VanDerWaalsContact O-CB 3.25Å; I2247-T2251 WeakPolarHBondContact O-CB 3.36Å; I2247-T2251 PolarHBondContact O-N 3.05Å; I2247-T2251 PolarHBondContact O-OG1 3.03Å; V2248-T2251 PolarHBondContact O-N 3.01Å; K2249-T2251 VanDerWaalsContact C-N 3.31Å; K2249-T2251 PolarHBondContact O-N 2.93Å; T2251-Q2253 VanDerWaalsContact C-N 3.34Å; T2251-Q2253 PolarHBondContact O-N 3.33Å; T2251-I2254 PolarHBondContact O-N 3.02Å; T2251-I2255 HydrophobicContact CG2-CD1 4.22Å; T2251-I2255 VanDerWaalsContact O-CG1 3.3Å; T2251-I2255 WeakPolarHBondContact O-CG1 3.4Å; T2251-I2255 PolarHBondContact O-N 3.21Å; T2251-Y2280 HydrophobicContact CG2-CE2 4.37Å; T2251-Y2280 WeakPolarHBondContact CG2-OH 3.31Å; T2251-Y2280 WeakPolarHBondContact OG1-CE2 3.26Å; T2251-Y2280 VanDerWaalsContact OG1-CZ 3.28Å; T2251-Y2280 PolarHBondContact OG1-OH 3.2Å |
| 2252 | L | 63.9 | Low | 58.3 | Low | 76.4 Ų | 76.4 | 71.5 Ų | 71.5 | 40% | 0.4 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 176.4 | -73.6 | 169.2 | 0 | 0 | 0 | 112 | I2237 V2248 K2249 L2250 I2254 I2255 Q2256 | I2237-L2252 HydrophobicContact CD1-CD2 3.8Å; I2237-L2252 HydrophobicContact CD1-CG 4.04Å; V2248-L2252 HydrophobicContact CG1-CD1 4.03Å; V2248-L2252 HydrophobicContact CG1-CG 4.36Å; V2248-L2252 WeakPolarHBondContact O-CB 3.11Å; V2248-L2252 WeakPolarHBondContact O-CG 3.37Å; V2248-L2252 PolarHBondContact O-N 2.99Å; K2249-L2252 PolarHBondContact O-N 3.12Å; L2250-L2252 PolarHBondContact O-N 3.17Å; L2252-I2254 PolarHBondContact O-N 2.85Å; L2252-I2255 PolarHBondContact O-N 3.11Å; L2252-Q2256 VanDerWaalsContact O-CB 3.3Å; L2252-Q2256 WeakPolarHBondContact O-CB 3.3Å; L2252-Q2256 VanDerWaalsContact O-CG 3.29Å; L2252-Q2256 WeakPolarHBondContact O-CG 3.37Å; L2252-Q2256 PolarHBondContact O-N 3.25Å |
| 2253 | Q | 67.1 | Low | 58.5 | Low | 95.2 Ų | 95.2 | 67.8 Ų | 67.8 | 45% | 0.445 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 173.9 | -80.1 | -178.9 | -6.9 | 0 | 0 | 112 | K2249 L2250 T2251 I2255 Q2256 E2257 | K2249-Q2253 VanDerWaalsContact O-CB 3.3Å; K2249-Q2253 WeakPolarHBondContact O-CB 3.28Å; K2249-Q2253 VanDerWaalsContact O-CG 3.26Å; K2249-Q2253 WeakPolarHBondContact O-CG 3.34Å; K2249-Q2253 PolarHBondContact O-N 3.16Å; L2250-Q2253 PolarHBondContact O-N 2.98Å; T2251-Q2253 VanDerWaalsContact C-N 3.34Å; T2251-Q2253 PolarHBondContact O-N 3.33Å; Q2253-I2255 PolarHBondContact O-N 3.1Å; Q2253-Q2256 PolarHBondContact O-N 3.22Å; Q2253-E2257 WeakPolarHBondContact O-CB 3.17Å; Q2253-E2257 WeakPolarHBondContact O-CG 3.34Å; Q2253-E2257 PolarHBondContact O-N 3.21Å |
| 2254 | I | 65.2 | Low | 58.2 | Low | 1.2 Ų | 1.2 | 77.8 Ų | 77.8 | 1% | 0.006 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 176.8 | -71.4 | 162.7 | 0 | 0 | 0 | 110.7 | L2229 L2233 L2250 T2251 L2252 Q2256 E2257 I2258 Y2267 T2273 K2276 L2277 Y2280 | L2229-I2254 HydrophobicContact CD2-CG2 4.31Å; L2233-I2254 HydrophobicContact CD1-CB 4.3Å; L2233-I2254 HydrophobicContact CD1-CG2 3.63Å; L2233-I2254 VanDerWaalsContact CD1-CG2 3.48Å; L2250-I2254 HydrophobicContact CD2-CD1 4.25Å; L2250-I2254 WeakPolarHBondContact O-CB 3.3Å; L2250-I2254 WeakPolarHBondContact O-CD1 3.38Å; L2250-I2254 VanDerWaalsContact O-CG1 3.27Å; L2250-I2254 WeakPolarHBondContact O-CG1 3.33Å; L2250-I2254 PolarHBondContact O-N 3.07Å; T2251-I2254 PolarHBondContact O-N 3.02Å; L2252-I2254 PolarHBondContact O-N 2.85Å; I2254-Q2256 PolarHBondContact O-N 3.1Å; I2254-E2257 PolarHBondContact O-N 3.26Å; I2254-I2258 HydrophobicContact CG2-CD1 3.69Å; I2254-I2258 HydrophobicContact CG2-CG1 4.41Å; I2254-I2258 WeakPolarHBondContact O-CD1 3.22Å; I2254-I2258 VanDerWaalsContact O-CG1 3.24Å; I2254-I2258 WeakPolarHBondContact O-CG1 3.3Å; I2254-I2258 PolarHBondContact O-N 3.21Å; I2254-Y2267 HydrophobicContact CB-CE1 4.39Å; I2254-Y2267 HydrophobicContact CG1-CE1 4.27Å; I2254-Y2267 HydrophobicContact CG2-CD1 4.47Å; I2254-Y2267 HydrophobicContact CG2-CE1 3.77Å; I2254-T2273 HydrophobicContact CD1-CG2 3.75Å; I2254-T2273 HydrophobicContact CG1-CG2 4.42Å; I2254-T2273 HydrophobicContact CG2-CG2 4.28Å; I2254-K2276 HydrophobicContact CD1-CB 4.24Å; I2254-K2276 HydrophobicContact CG1-CB 4.2Å; I2254-L2277 HydrophobicContact CD1-CB 4.37Å; I2254-L2277 HydrophobicContact CD1-CD1 3.57Å; I2254-L2277 HydrophobicContact CD1-CG 4.31Å; I2254-L2277 HydrophobicContact CG2-CD1 3.58Å; I2254-L2277 VanDerWaalsContact CG2-CD1 3.48Å; I2254-L2277 HydrophobicContact CG2-CG 4.01Å; I2254-Y2280 HydrophobicContact CD1-CD1 4.49Å; I2254-Y2280 HydrophobicContact CD1-CD2 4.32Å; I2254-Y2280 HydrophobicContact CD1-CG 4.11Å |
| 2255 | I | 64.1 | Low | 57.7 | Low | 21.8 Ų | 21.8 | 82.3 Ų | 82.3 | 11% | 0.112 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 177.3 | -69.8 | 169.3 | 0 | 0 | 0 | 110.4 | I2230 L2233 I2237 T2251 L2252 Q2253 E2257 I2258 H2259 | I2230-I2255 HydrophobicContact CG2-CG2 4.45Å; L2233-I2255 HydrophobicContact CB-CD1 3.94Å; L2233-I2255 HydrophobicContact CB-CG1 4.04Å; L2233-I2255 HydrophobicContact CD1-CG1 4.22Å; I2237-I2255 HydrophobicContact CD1-CD1 3.69Å; I2237-I2255 VanDerWaalsContact CD1-CD1 3.46Å; T2251-I2255 HydrophobicContact CG2-CD1 4.22Å; T2251-I2255 VanDerWaalsContact O-CG1 3.3Å; T2251-I2255 WeakPolarHBondContact O-CG1 3.4Å; T2251-I2255 PolarHBondContact O-N 3.21Å; L2252-I2255 PolarHBondContact O-N 3.11Å; Q2253-I2255 PolarHBondContact O-N 3.1Å; I2255-E2257 PolarHBondContact O-N 2.86Å; I2255-I2258 PolarHBondContact O-N 3.21Å; I2255-H2259 WeakPolarHBondContact O-CB 3.42Å; I2255-H2259 PolarHBondContact O-CD2 3.27Å; I2255-H2259 VanDerWaalsContact O-CD2 3.28Å; I2255-H2259 PolarHBondContact O-N 3.1Å |
| 2256 | Q | 64.5 | Low | 57.4 | Low | 130 Ų | 130 | 79.3 Ų | 79.3 | 61% | 0.607 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.5 | -42.2 | 177.6 | -74.8 | 175.6 | -9.4 | 0 | 0 | 112.5 | L2252 Q2253 I2254 I2258 H2259 S2260 | L2252-Q2256 VanDerWaalsContact O-CB 3.3Å; L2252-Q2256 WeakPolarHBondContact O-CB 3.3Å; L2252-Q2256 VanDerWaalsContact O-CG 3.29Å; L2252-Q2256 WeakPolarHBondContact O-CG 3.37Å; L2252-Q2256 PolarHBondContact O-N 3.25Å; Q2253-Q2256 PolarHBondContact O-N 3.22Å; I2254-Q2256 PolarHBondContact O-N 3.1Å; Q2256-I2258 PolarHBondContact O-N 3.19Å; Q2256-H2259 PolarHBondContact O-N 3.09Å; Q2256-S2260 WeakPolarHBondContact O-CB 3.31Å; Q2256-S2260 PolarHBondContact O-N 3.15Å; Q2256-S2260 PolarHBondContact O-OG 3.2Å; Q2256-S2260 VanDerWaalsContact O-OG 3.09Å |
| 2257 | E | 63.7 | Low | 57.2 | Low | 64.2 Ų | 64.2 | 75.7 Ų | 75.7 | 30% | 0.3 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 177.1 | -77.8 | -173.8 | -162 | 0 | 0 | 111.8 | Q2253 I2254 I2255 H2259 S2260 K2261 Y2267 T2273 K2276 | Q2253-E2257 WeakPolarHBondContact O-CB 3.17Å; Q2253-E2257 WeakPolarHBondContact O-CG 3.34Å; Q2253-E2257 PolarHBondContact O-N 3.21Å; I2254-E2257 PolarHBondContact O-N 3.26Å; I2255-E2257 PolarHBondContact O-N 2.86Å; E2257-H2259 VanDerWaalsContact C-N 3.35Å; E2257-H2259 PolarHBondContact O-N 2.94Å; E2257-S2260 WeakPolarHBondContact CA-OG 3.27Å; E2257-S2260 PolarHBondContact O-N 3.23Å; E2257-S2260 PolarHBondContact O-OG 3.26Å; E2257-K2261 VanDerWaalsContact O-CB 3.28Å; E2257-K2261 WeakPolarHBondContact O-CB 3.36Å; E2257-K2261 WeakPolarHBondContact O-CD 3.18Å; E2257-K2261 WeakPolarHBondContact O-CG 3.34Å; E2257-K2261 PolarHBondContact O-N 3.23Å; E2257-K2261 IonicContact OE2-NZ 3.32Å; E2257-K2261 PolarHBondContact OE2-NZ 3.13Å; E2257-Y2267 HydrophobicContact CB-CD2 4.46Å; E2257-Y2267 HydrophobicContact CB-CE2 3.53Å; E2257-Y2267 HydrophobicContact CG-CE2 4.43Å; E2257-Y2267 WeakPolarHBondContact OE2-CE2 3.23Å; E2257-Y2267 PolarHBondContact OE2-OH 2.83Å; E2257-Y2267 VanDerWaalsContact OE2-OH 3.05Å; E2257-T2273 HydrophobicContact CB-CG2 3.94Å; E2257-T2273 WeakPolarHBondContact CB-OG1 2.81Å; E2257-T2273 WeakPolarHBondContact OE2-CA 3.37Å; E2257-T2273 VanDerWaalsContact OE2-CB 3.26Å; E2257-T2273 WeakPolarHBondContact OE2-CB 3.25Å; E2257-T2273 VanDerWaalsContact OE2-CG2 3.26Å; E2257-T2273 WeakPolarHBondContact OE2-CG2 3.39Å; E2257-T2273 PolarHBondContact OE2-OG1 3.04Å; E2257-K2276 IonicContact OE1-NZ 3.02Å; E2257-K2276 PolarHBondContact OE1-NZ 3.24Å; E2257-K2276 IonicContact OE2-NZ 3.2Å |
| 2258 | I | 60.9 | Low | 57.1 | Low | 4.2 Ų | 4.2 | 78.6 Ų | 78.6 | 2% | 0.022 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64 | -44 | 174.5 | -63.8 | 163 | 0 | 0 | 0 | 110.6 | C2226 L2229 I2230 L2233 I2254 I2255 Q2256 S2260 K2261 Y2267 I2269 T2273 L2277 | C2226-I2258 HydrophobicContact CB-CG2 3.91Å; L2229-I2258 HydrophobicContact CD2-CD1 3.8Å; L2229-I2258 HydrophobicContact CG-CD1 4.35Å; I2230-I2258 HydrophobicContact CD1-CB 4.1Å; I2230-I2258 HydrophobicContact CD1-CG2 3.78Å; I2230-I2258 HydrophobicContact CG1-CB 4.36Å; I2230-I2258 HydrophobicContact CG1-CD1 4.1Å; I2230-I2258 HydrophobicContact CG1-CG2 4.18Å; L2233-I2258 HydrophobicContact CD1-CD1 4.2Å; I2254-I2258 HydrophobicContact CG2-CD1 3.69Å; I2254-I2258 HydrophobicContact CG2-CG1 4.41Å; I2254-I2258 WeakPolarHBondContact O-CD1 3.22Å; I2254-I2258 VanDerWaalsContact O-CG1 3.24Å; I2254-I2258 WeakPolarHBondContact O-CG1 3.3Å; I2254-I2258 PolarHBondContact O-N 3.21Å; I2255-I2258 PolarHBondContact O-N 3.21Å; Q2256-I2258 PolarHBondContact O-N 3.19Å; I2258-S2260 VanDerWaalsContact C-N 3.29Å; I2258-S2260 PolarHBondContact O-N 3.24Å; I2258-K2261 PolarHBondContact O-N 3.37Å; I2258-Y2267 HydrophobicContact CD1-CD1 3.79Å; I2258-Y2267 HydrophobicContact CD1-CE1 4.18Å; I2258-Y2267 HydrophobicContact CD1-CG 4.28Å; I2258-Y2267 HydrophobicContact CG1-CD1 3.49Å; I2258-Y2267 VanDerWaalsContact CG1-CD1 3.49Å; I2258-Y2267 HydrophobicContact CG1-CD2 3.96Å; I2258-Y2267 HydrophobicContact CG1-CE1 3.94Å; I2258-Y2267 HydrophobicContact CG1-CE2 4.39Å; I2258-Y2267 HydrophobicContact CG1-CG 3.5Å; I2258-Y2267 VanDerWaalsContact CG1-CG 3.48Å; I2258-Y2267 HydrophobicContact CG2-CD1 3.9Å; I2258-Y2267 HydrophobicContact CG2-CE1 4.14Å; I2258-Y2267 HydrophobicContact CG2-CG 4.18Å; I2258-Y2267 VanDerWaalsContact O-CD1 3.31Å; I2258-Y2267 WeakPolarHBondContact O-CD1 3.4Å; I2258-Y2267 WeakPolarHBondContact O-CE1 3.44Å; I2258-I2269 HydrophobicContact CD1-CD1 4.32Å; I2258-I2269 HydrophobicContact CG1-CD1 4.29Å; I2258-I2269 HydrophobicContact CG1-CG1 4.41Å; I2258-T2273 HydrophobicContact CG1-CG2 4.24Å; I2258-L2277 HydrophobicContact CD1-CD1 4.34Å |
| 2259 | H | 62.3 | Low | 57.1 | Low | 103 Ų | 103 | 76.8 Ų | 76.8 | 48% | 0.477 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 178.3 | -88.4 | -76.2 | 0 | 0 | 0 | 113.2 | I2255 Q2256 E2257 K2261 | I2255-H2259 WeakPolarHBondContact O-CB 3.42Å; I2255-H2259 PolarHBondContact O-CD2 3.27Å; I2255-H2259 VanDerWaalsContact O-CD2 3.28Å; I2255-H2259 PolarHBondContact O-N 3.1Å; Q2256-H2259 PolarHBondContact O-N 3.09Å; E2257-H2259 VanDerWaalsContact C-N 3.35Å; E2257-H2259 PolarHBondContact O-N 2.94Å; H2259-K2261 VanDerWaalsContact C-N 3.3Å; H2259-K2261 PolarHBondContact O-N 3.09Å |
| 2260 | S | 56.6 | Low | 57.2 | Low | 89 Ų | 89 | 73.3 Ų | 73.3 | 62% | 0.622 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -68.8 | -28.8 | -179.7 | 67.3 | 0 | 0 | 0 | 0 | 113.5 | Q2256 E2257 I2258 K2262 | Q2256-S2260 WeakPolarHBondContact O-CB 3.31Å; Q2256-S2260 PolarHBondContact O-N 3.15Å; Q2256-S2260 PolarHBondContact O-OG 3.2Å; Q2256-S2260 VanDerWaalsContact O-OG 3.09Å; E2257-S2260 WeakPolarHBondContact CA-OG 3.27Å; E2257-S2260 PolarHBondContact O-N 3.23Å; E2257-S2260 PolarHBondContact O-OG 3.26Å; I2258-S2260 VanDerWaalsContact C-N 3.29Å; I2258-S2260 PolarHBondContact O-N 3.24Å; S2260-K2262 PolarHBondContact O-N 2.79Å |
| 2261 | K | 50.9 | Low | 56.8 | Low | 91.8 Ų | 91.8 | 76.2 Ų | 76.2 | 40% | 0.399 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 58.2 | -179.6 | -70.2 | 178.7 | 175.6 | 176.5 | 0 | 112.1 | E2257 I2258 H2259 I2263 Y2267 E2268 N2270 | E2257-K2261 VanDerWaalsContact O-CB 3.28Å; E2257-K2261 WeakPolarHBondContact O-CB 3.36Å; E2257-K2261 WeakPolarHBondContact O-CD 3.18Å; E2257-K2261 WeakPolarHBondContact O-CG 3.34Å; E2257-K2261 PolarHBondContact O-N 3.23Å; E2257-K2261 IonicContact OE2-NZ 3.32Å; E2257-K2261 PolarHBondContact OE2-NZ 3.13Å; I2258-K2261 PolarHBondContact O-N 3.37Å; H2259-K2261 VanDerWaalsContact C-N 3.3Å; H2259-K2261 PolarHBondContact O-N 3.09Å; K2261-I2263 WeakPolarHBondContact O-CA 3.2Å; K2261-I2263 PolarHBondContact O-N 3.12Å; K2261-Y2267 HydrophobicContact CD-CD2 3.84Å; K2261-Y2267 HydrophobicContact CD-CE2 4.15Å; K2261-Y2267 WeakPolarHBondContact O-CA 3.5Å; K2261-E2268 HydrophobicContact CB-CB 4.27Å; K2261-E2268 VanDerWaalsContact CB-O 3.31Å; K2261-E2268 WeakPolarHBondContact CB-O 3.46Å; K2261-E2268 VanDerWaalsContact CD-O 3.32Å; K2261-E2268 WeakPolarHBondContact CD-O 3.46Å; K2261-E2268 PolarHBondContact O-N 3.38Å; K2261-N2270 PolarHBondContact NZ-ND2 3.26Å; K2261-N2270 VanDerWaalsContact NZ-ND2 3.14Å |
| 2262 | K | 43.3 | Very low | 56.8 | Low | 161.2 Ų | 161.2 | 78.1 Ų | 78.1 | 70% | 0.701 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 108.4 | 174.9 | -130.9 | 175.4 | -177.8 | 178.2 | 0 | 110.8 | S2260 R2264 Y2267 | S2260-K2262 PolarHBondContact O-N 2.79Å; K2262-R2264 PolarHBondContact O-N 3.19Å; K2262-Y2267 HydrophobicContact CB-CD1 4.1Å; K2262-Y2267 HydrophobicContact CB-CE1 3.68Å; K2262-Y2267 HydrophobicContact CD-CE1 3.98Å; K2262-Y2267 WeakPolarHBondContact CD-OH 3.42Å; K2262-Y2267 VanDerWaalsContact CE-OH 3.32Å; K2262-Y2267 WeakPolarHBondContact CE-OH 3.29Å; K2262-Y2267 HydrophobicContact CG-CD1 4.23Å; K2262-Y2267 HydrophobicContact CG-CE1 3.55Å |
| 2263 | I | 45.1 | Very low | 56.8 | Low | 88.2 Ų | 88.2 | 74.9 Ų | 74.9 | 45% | 0.452 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 127.1 | -175.1 | -61.3 | 173.1 | 0 | 0 | 0 | 112.1 | P2223 K2261 N2265 G2266 E2268 | P2223-I2263 HydrophobicContact CB-CG2 4.31Å; P2223-I2263 WeakPolarHBondContact CB-O 3.35Å; K2261-I2263 WeakPolarHBondContact O-CA 3.2Å; K2261-I2263 PolarHBondContact O-N 3.12Å; I2263-N2265 VanDerWaalsContact C-N 3.28Å; I2263-N2265 PolarHBondContact O-N 3.11Å; I2263-N2265 VanDerWaalsContact O-N 3.14Å; I2263-G2266 CarbonylContact C-O 3.56Å; I2263-G2266 WeakPolarHBondContact CA-O 3.31Å; I2263-G2266 WeakPolarHBondContact CB-O 3.25Å; I2263-G2266 PolarHBondContact N-O 3.1Å; I2263-G2266 PolarHBondContact O-N 3.28Å; I2263-G2266 VanDerWaalsContact O-N 3.16Å; I2263-G2266 VanDerWaalsContact O-O 3.07Å; I2263-E2268 HydrophobicContact CD1-CB 3.68Å; I2263-E2268 HydrophobicContact CD1-CG 4.11Å; I2263-E2268 HydrophobicContact CG1-CB 4.25Å |
| 2264 | R | 43.1 | Very low | 56.3 | Low | 239.6 Ų | 239.6 | 70.8 Ų | 70.8 | 90% | 0.904 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | -33.8 | -174.9 | -79.7 | -175.7 | 175.3 | -175.7 | -1.6 | 115.1 | P2223 K2262 | P2223-R2264 VanDerWaalsContact CG-O 3.29Å; P2223-R2264 WeakPolarHBondContact CG-O 3.26Å; K2262-R2264 PolarHBondContact O-N 3.19Å |
| 2265 | N | 43.5 | Very low | 56.3 | Low | 149.8 Ų | 149.8 | 76.4 Ų | 76.4 | 80% | 0.801 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.2 | 10.8 | -172.7 | -66.2 | 0.2 | 0 | 0 | 0 | 114.4 | P2223 I2263 | P2223-N2265 WeakPolarHBondContact CD-O 3.31Å; P2223-N2265 WeakPolarHBondContact CG-O 3.38Å; I2263-N2265 VanDerWaalsContact C-N 3.28Å; I2263-N2265 PolarHBondContact O-N 3.11Å; I2263-N2265 VanDerWaalsContact O-N 3.14Å |
| 2266 | G | 47.7 | Very low | 56.3 | Low | 16.6 Ų | 16.6 | 79.2 Ų | 79.2 | 17% | 0.171 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 134.4 | 179.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V2221 I2263 | V2221-G2266 CarbonylContact O-C 3.51Å; V2221-G2266 VanDerWaalsContact O-CA 3.22Å; V2221-G2266 WeakPolarHBondContact O-CA 3.33Å; I2263-G2266 CarbonylContact C-O 3.56Å; I2263-G2266 WeakPolarHBondContact CA-O 3.31Å; I2263-G2266 WeakPolarHBondContact CB-O 3.25Å; I2263-G2266 PolarHBondContact N-O 3.1Å; I2263-G2266 PolarHBondContact O-N 3.28Å; I2263-G2266 VanDerWaalsContact O-N 3.16Å; I2263-G2266 VanDerWaalsContact O-O 3.07Å |
| 2267 | Y | 53.9 | Low | 56.2 | Low | 18.2 Ų | 18.2 | 73.1 Ų | 73.1 | 7% | 0.071 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 135.7 | 175.6 | -104.3 | -105 | 0 | 0 | 0 | 110 | K2220 V2221 C2226 L2229 I2254 E2257 I2258 K2261 K2262 I2269 | K2220-Y2267 CarbonylContact C-O 3.41Å; K2220-Y2267 WeakPolarHBondContact CA-O 3.26Å; V2221-Y2267 HydrophobicContact CG2-CD1 4.4Å; V2221-Y2267 PolarHBondContact N-O 3.2Å; V2221-Y2267 PolarHBondContact O-N 3.13Å; V2221-Y2267 VanDerWaalsContact O-N 3.09Å; C2226-Y2267 HydrophobicContact CB-CD2 3.33Å; C2226-Y2267 HydrophobicContact CB-CE2 3.81Å; C2226-Y2267 HydrophobicContact CB-CG 4.11Å; C2226-Y2267 WeakPolarHBondContact SG-CB 3.4Å; C2226-Y2267 WeakPolarHBondContact SG-CD2 3.35Å; L2229-Y2267 HydrophobicContact CD2-CD1 4.48Å; I2254-Y2267 HydrophobicContact CB-CE1 4.39Å; I2254-Y2267 HydrophobicContact CG1-CE1 4.27Å; I2254-Y2267 HydrophobicContact CG2-CD1 4.47Å; I2254-Y2267 HydrophobicContact CG2-CE1 3.77Å; E2257-Y2267 HydrophobicContact CB-CD2 4.46Å; E2257-Y2267 HydrophobicContact CB-CE2 3.53Å; E2257-Y2267 HydrophobicContact CG-CE2 4.43Å; E2257-Y2267 WeakPolarHBondContact OE2-CE2 3.23Å; E2257-Y2267 PolarHBondContact OE2-OH 2.83Å; E2257-Y2267 VanDerWaalsContact OE2-OH 3.05Å; I2258-Y2267 HydrophobicContact CD1-CD1 3.79Å; I2258-Y2267 HydrophobicContact CD1-CE1 4.18Å; I2258-Y2267 HydrophobicContact CD1-CG 4.28Å; I2258-Y2267 HydrophobicContact CG1-CD1 3.49Å; I2258-Y2267 VanDerWaalsContact CG1-CD1 3.49Å; I2258-Y2267 HydrophobicContact CG1-CD2 3.96Å; I2258-Y2267 HydrophobicContact CG1-CE1 3.94Å; I2258-Y2267 HydrophobicContact CG1-CE2 4.39Å; I2258-Y2267 HydrophobicContact CG1-CG 3.5Å; I2258-Y2267 VanDerWaalsContact CG1-CG 3.48Å; I2258-Y2267 HydrophobicContact CG2-CD1 3.9Å; I2258-Y2267 HydrophobicContact CG2-CE1 4.14Å; I2258-Y2267 HydrophobicContact CG2-CG 4.18Å; I2258-Y2267 VanDerWaalsContact O-CD1 3.31Å; I2258-Y2267 WeakPolarHBondContact O-CD1 3.4Å; I2258-Y2267 WeakPolarHBondContact O-CE1 3.44Å; K2261-Y2267 HydrophobicContact CD-CD2 3.84Å; K2261-Y2267 HydrophobicContact CD-CE2 4.15Å; K2261-Y2267 WeakPolarHBondContact O-CA 3.5Å; K2262-Y2267 HydrophobicContact CB-CD1 4.1Å; K2262-Y2267 HydrophobicContact CB-CE1 3.68Å; K2262-Y2267 HydrophobicContact CD-CE1 3.98Å; K2262-Y2267 WeakPolarHBondContact CD-OH 3.42Å; K2262-Y2267 VanDerWaalsContact CE-OH 3.32Å; K2262-Y2267 WeakPolarHBondContact CE-OH 3.29Å; K2262-Y2267 HydrophobicContact CG-CD1 4.23Å; K2262-Y2267 HydrophobicContact CG-CE1 3.55Å; Y2267-I2269 HydrophobicContact CD1-CG1 3.89Å; Y2267-I2269 HydrophobicContact CE1-CB 4.49Å; Y2267-I2269 HydrophobicContact CE1-CD1 4.43Å; Y2267-I2269 HydrophobicContact CE1-CG1 3.74Å |
| 2268 | E | 56 | Low | 56.1 | Low | 77 Ų | 77 | 72.6 Ų | 72.6 | 36% | 0.36 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 103.4 | 177.5 | -125.3 | 175.4 | -149.4 | 0 | 0 | 109.1 | T2218 L2219 K2220 K2261 I2263 N2270 | T2218-E2268 VanDerWaalsContact CB-CD 3.46Å; T2218-E2268 WeakPolarHBondContact CB-OE1 3.31Å; T2218-E2268 WeakPolarHBondContact CB-OE2 3.47Å; T2218-E2268 HydrophobicContact CG2-CB 4.3Å; T2218-E2268 HydrophobicContact CG2-CG 3.93Å; T2218-E2268 WeakPolarHBondContact CG2-OE2 3.45Å; T2218-E2268 PolarHBondContact OG1-OE1 3.28Å; T2218-E2268 PolarHBondContact OG1-OE2 2.61Å; L2219-E2268 WeakPolarHBondContact O-CA 3.3Å; K2220-E2268 HydrophobicContact CD-CG 4.43Å; K2220-E2268 WeakPolarHBondContact CE-OE1 3.34Å; K2220-E2268 HydrophobicContact CG-CG 4.07Å; K2220-E2268 IonicContact NZ-OE1 2.99Å; K2220-E2268 PolarHBondContact NZ-OE1 3.4Å; K2220-E2268 VanDerWaalsContact NZ-OE1 3.14Å; K2261-E2268 HydrophobicContact CB-CB 4.27Å; K2261-E2268 VanDerWaalsContact CB-O 3.31Å; K2261-E2268 WeakPolarHBondContact CB-O 3.46Å; K2261-E2268 VanDerWaalsContact CD-O 3.32Å; K2261-E2268 WeakPolarHBondContact CD-O 3.46Å; K2261-E2268 PolarHBondContact O-N 3.38Å; I2263-E2268 HydrophobicContact CD1-CB 3.68Å; I2263-E2268 HydrophobicContact CD1-CG 4.11Å; I2263-E2268 HydrophobicContact CG1-CB 4.25Å; E2268-N2270 PolarHBondContact O-N 3.12Å |
| 2269 | I | 58.6 | Low | 56.3 | Low | 4.8 Ų | 4.8 | 77 Ų | 77 | 3% | 0.025 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 119.8 | 174.3 | -48.4 | -174.6 | 0 | 0 | 0 | 107.4 | L2208 T2218 L2219 V2221 L2229 I2258 Y2267 T2273 | L2208-I2269 HydrophobicContact CD2-CD1 3.94Å; T2218-I2269 WeakPolarHBondContact CA-O 3.34Å; L2219-I2269 HydrophobicContact CB-CB 4.22Å; L2219-I2269 HydrophobicContact CB-CG1 4.44Å; L2219-I2269 WeakPolarHBondContact CB-O 3.29Å; L2219-I2269 HydrophobicContact CD1-CD1 4.42Å; L2219-I2269 HydrophobicContact CD2-CB 4.48Å; L2219-I2269 HydrophobicContact CD2-CD1 3.97Å; L2219-I2269 HydrophobicContact CD2-CG1 4.19Å; L2219-I2269 PolarHBondContact N-O 2.99Å; L2219-I2269 VanDerWaalsContact N-O 3.17Å; L2219-I2269 WeakPolarHBondContact O-CB 3.25Å; L2219-I2269 PolarHBondContact O-N 3.11Å; V2221-I2269 HydrophobicContact CB-CD1 4.39Å; V2221-I2269 HydrophobicContact CG2-CD1 3.82Å; V2221-I2269 HydrophobicContact CG2-CG1 4.07Å; L2229-I2269 HydrophobicContact CD2-CD1 4.01Å; I2258-I2269 HydrophobicContact CD1-CD1 4.32Å; I2258-I2269 HydrophobicContact CG1-CD1 4.29Å; I2258-I2269 HydrophobicContact CG1-CG1 4.41Å; Y2267-I2269 HydrophobicContact CD1-CG1 3.89Å; Y2267-I2269 HydrophobicContact CE1-CB 4.49Å; Y2267-I2269 HydrophobicContact CE1-CD1 4.43Å; Y2267-I2269 HydrophobicContact CE1-CG1 3.74Å; I2269-T2273 HydrophobicContact CG2-CG2 3.85Å |
| 2270 | N | 64.3 | Low | 56.3 | Low | 64 Ų | 64 | 72.9 Ų | 72.9 | 34% | 0.342 | 37% | 0.366 | S | S | . | . | trans | -69.7 | 159.6 | 175.9 | 73.8 | 32.3 | 0 | 0 | 0 | 111.2 | T2218 K2261 E2268 G2272 T2273 S2274 | T2218-N2270 HydrophobicContact CG2-CB 4.22Å; K2261-N2270 PolarHBondContact NZ-ND2 3.26Å; K2261-N2270 VanDerWaalsContact NZ-ND2 3.14Å; E2268-N2270 PolarHBondContact O-N 3.12Å; N2270-G2272 VanDerWaalsContact C-N 3.3Å; N2270-G2272 PolarHBondContact O-N 3.16Å; N2270-G2272 VanDerWaalsContact O-N 3.17Å; N2270-G2272 PolarHBondContact OD1-N 3.1Å; N2270-G2272 VanDerWaalsContact OD1-N 3.08Å; N2270-T2273 VanDerWaalsContact CG-OG1 3.28Å; N2270-T2273 PolarHBondContact ND2-OG1 3.01Å; N2270-T2273 PolarHBondContact O-N 3.3Å; N2270-T2273 VanDerWaalsContact O-N 3.12Å; N2270-T2273 WeakPolarHBondContact OD1-CB 3.46Å; N2270-T2273 PolarHBondContact OD1-N 3.17Å; N2270-T2273 PolarHBondContact OD1-OG1 3.29Å; N2270-S2274 PolarHBondContact O-N 3.09Å | ||
| 2271 | E | 55.1 | Low | 56.5 | Low | 102.6 Ų | 102.6 | 70.6 Ų | 70.6 | 48% | 0.479 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.7 | -32.9 | -176.9 | -163.7 | -168.6 | 149.4 | 0 | 0 | 113.3 | C2217 S2274 K2275 | C2217-E2271 PolarHBondContact SG-OE2 2.72Å; C2217-E2271 VanDerWaalsContact SG-OE2 3.38Å; E2271-S2274 PolarHBondContact O-N 3.06Å; E2271-S2274 PolarHBondContact O-OG 3.17Å; E2271-K2275 HydrophobicContact CG-CD 4.37Å; E2271-K2275 VanDerWaalsContact O-CB 3.3Å; E2271-K2275 WeakPolarHBondContact O-CB 3.41Å; E2271-K2275 WeakPolarHBondContact O-CD 3.05Å; E2271-K2275 VanDerWaalsContact O-CG 3.29Å; E2271-K2275 WeakPolarHBondContact O-CG 3.3Å; E2271-K2275 PolarHBondContact O-N 3.18Å; E2271-K2275 VanDerWaalsContact O-N 3.1Å; E2271-K2275 VanDerWaalsContact OE1-CE 3.26Å; E2271-K2275 WeakPolarHBondContact OE1-CE 3.36Å; E2271-K2275 IonicContact OE1-NZ 3.68Å; E2271-K2275 PolarHBondContact OE1-NZ 3.07Å |
| 2272 | G | 63.3 | Low | 56.9 | Low | 41.2 Ų | 41.2 | 72 Ų | 72 | 43% | 0.425 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.2 | -45.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N2270 K2275 K2276 | N2270-G2272 VanDerWaalsContact C-N 3.3Å; N2270-G2272 PolarHBondContact O-N 3.16Å; N2270-G2272 VanDerWaalsContact O-N 3.17Å; N2270-G2272 PolarHBondContact OD1-N 3.1Å; N2270-G2272 VanDerWaalsContact OD1-N 3.08Å; G2272-K2275 PolarHBondContact O-N 3.11Å; G2272-K2276 WeakPolarHBondContact O-CG 3.25Å; G2272-K2276 PolarHBondContact O-N 3.06Å; G2272-K2276 VanDerWaalsContact O-N 3.13Å |
| 2273 | T | 62.8 | Low | 57.6 | Low | 8.6 Ų | 8.6 | 65.8 Ų | 65.8 | 5% | 0.053 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.6 | -39 | 177.5 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | L2250 I2254 E2257 I2258 I2269 N2270 K2275 K2276 L2277 | L2250-T2273 HydrophobicContact CD2-CG2 4.25Å; I2254-T2273 HydrophobicContact CD1-CG2 3.75Å; I2254-T2273 HydrophobicContact CG1-CG2 4.42Å; I2254-T2273 HydrophobicContact CG2-CG2 4.28Å; E2257-T2273 HydrophobicContact CB-CG2 3.94Å; E2257-T2273 WeakPolarHBondContact CB-OG1 2.81Å; E2257-T2273 WeakPolarHBondContact OE2-CA 3.37Å; E2257-T2273 VanDerWaalsContact OE2-CB 3.26Å; E2257-T2273 WeakPolarHBondContact OE2-CB 3.25Å; E2257-T2273 VanDerWaalsContact OE2-CG2 3.26Å; E2257-T2273 WeakPolarHBondContact OE2-CG2 3.39Å; E2257-T2273 PolarHBondContact OE2-OG1 3.04Å; I2258-T2273 HydrophobicContact CG1-CG2 4.24Å; I2269-T2273 HydrophobicContact CG2-CG2 3.85Å; N2270-T2273 VanDerWaalsContact CG-OG1 3.28Å; N2270-T2273 PolarHBondContact ND2-OG1 3.01Å; N2270-T2273 PolarHBondContact O-N 3.3Å; N2270-T2273 VanDerWaalsContact O-N 3.12Å; N2270-T2273 WeakPolarHBondContact OD1-CB 3.46Å; N2270-T2273 PolarHBondContact OD1-N 3.17Å; N2270-T2273 PolarHBondContact OD1-OG1 3.29Å; T2273-K2275 PolarHBondContact O-N 2.97Å; T2273-K2276 WeakPolarHBondContact O-CB 3.47Å; T2273-K2276 PolarHBondContact O-N 3.19Å; T2273-L2277 HydrophobicContact CG2-CD1 4.47Å; T2273-L2277 WeakPolarHBondContact O-CB 3.4Å; T2273-L2277 WeakPolarHBondContact O-CG 3.37Å; T2273-L2277 PolarHBondContact O-N 3.13Å; T2273-L2277 VanDerWaalsContact O-N 3.07Å |
| 2274 | S | 58.6 | Low | 58.2 | Low | 10.2 Ų | 10.2 | 62.4 Ų | 62.4 | 7% | 0.071 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 175.6 | 90.4 | 0 | 0 | 0 | 0 | 111.9 | S2211 N2270 E2271 K2276 L2277 I2278 | S2211-S2274 PolarHBondContact OG-OG 3.46Å; N2270-S2274 PolarHBondContact O-N 3.09Å; E2271-S2274 PolarHBondContact O-N 3.06Å; E2271-S2274 PolarHBondContact O-OG 3.17Å; S2274-K2276 VanDerWaalsContact C-N 3.33Å; S2274-K2276 PolarHBondContact O-N 3.21Å; S2274-L2277 WeakPolarHBondContact O-CB 3.31Å; S2274-L2277 PolarHBondContact O-N 3.08Å; S2274-L2277 VanDerWaalsContact O-N 3.12Å; S2274-I2278 VanDerWaalsContact O-CG1 3.26Å; S2274-I2278 WeakPolarHBondContact O-CG1 3.3Å; S2274-I2278 PolarHBondContact O-N 3.22Å |
| 2275 | K | 63.7 | Low | 58.8 | Low | 118.2 Ų | 118.2 | 52 Ų | 52 | 51% | 0.514 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 173.7 | -79.1 | 172.7 | 172.9 | 168.4 | 0 | 112.3 | E2271 G2272 T2273 L2277 I2278 T2279 | E2271-K2275 HydrophobicContact CG-CD 4.37Å; E2271-K2275 VanDerWaalsContact O-CB 3.3Å; E2271-K2275 WeakPolarHBondContact O-CB 3.41Å; E2271-K2275 WeakPolarHBondContact O-CD 3.05Å; E2271-K2275 VanDerWaalsContact O-CG 3.29Å; E2271-K2275 WeakPolarHBondContact O-CG 3.3Å; E2271-K2275 PolarHBondContact O-N 3.18Å; E2271-K2275 VanDerWaalsContact O-N 3.1Å; E2271-K2275 VanDerWaalsContact OE1-CE 3.26Å; E2271-K2275 WeakPolarHBondContact OE1-CE 3.36Å; E2271-K2275 IonicContact OE1-NZ 3.68Å; E2271-K2275 PolarHBondContact OE1-NZ 3.07Å; G2272-K2275 PolarHBondContact O-N 3.11Å; T2273-K2275 PolarHBondContact O-N 2.97Å; K2275-L2277 VanDerWaalsContact C-N 3.34Å; K2275-L2277 PolarHBondContact O-N 2.89Å; K2275-I2278 PolarHBondContact O-N 2.58Å; K2275-T2279 WeakPolarHBondContact O-CB 3.33Å; K2275-T2279 PolarHBondContact O-N 2.92Å; K2275-T2279 VanDerWaalsContact O-N 3.1Å; K2275-T2279 PolarHBondContact O-OG1 3.05Å |
| 2276 | K | 65.6 | Low | 59.4 | Low | 80.4 Ų | 80.4 | 49.6 Ų | 49.6 | 35% | 0.35 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 173.4 | -76 | -176.8 | 178.6 | -167.5 | 0 | 111.8 | D2246 I2247 L2250 I2254 E2257 G2272 T2273 S2274 T2279 Y2280 | D2246-K2276 IonicContact OD2-NZ 3.98Å; I2247-K2276 HydrophobicContact CD1-CB 4.34Å; L2250-K2276 HydrophobicContact CD1-CB 4.35Å; L2250-K2276 HydrophobicContact CD1-CD 3.51Å; L2250-K2276 VanDerWaalsContact CD1-CD 3.44Å; L2250-K2276 HydrophobicContact CD2-CB 3.94Å; L2250-K2276 HydrophobicContact CD2-CD 4.37Å; L2250-K2276 HydrophobicContact CD2-CG 4.19Å; L2250-K2276 WeakPolarHBondContact CD2-O 3.42Å; I2254-K2276 HydrophobicContact CD1-CB 4.24Å; I2254-K2276 HydrophobicContact CG1-CB 4.2Å; E2257-K2276 IonicContact OE1-NZ 3.02Å; E2257-K2276 PolarHBondContact OE1-NZ 3.24Å; E2257-K2276 IonicContact OE2-NZ 3.2Å; G2272-K2276 WeakPolarHBondContact O-CG 3.25Å; G2272-K2276 PolarHBondContact O-N 3.06Å; G2272-K2276 VanDerWaalsContact O-N 3.13Å; T2273-K2276 WeakPolarHBondContact O-CB 3.47Å; T2273-K2276 PolarHBondContact O-N 3.19Å; S2274-K2276 VanDerWaalsContact C-N 3.33Å; S2274-K2276 PolarHBondContact O-N 3.21Å; K2276-T2279 PolarHBondContact O-N 3.23Å; K2276-Y2280 VanDerWaalsContact O-CB 3.23Å; K2276-Y2280 WeakPolarHBondContact O-CB 3.31Å; K2276-Y2280 PolarHBondContact O-N 3.05Å |
| 2277 | L | 62.4 | Low | 59.7 | Low | 3.2 Ų | 3.2 | 51.2 Ų | 51.2 | 2% | 0.017 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64 | -44.1 | 179.3 | -105.1 | 158.1 | 0 | 0 | 0 | 112.7 | L2204 L2208 L2229 I2247 I2254 I2258 T2273 S2274 K2275 T2279 Y2280 Y2281 | L2204-L2277 HydrophobicContact CD2-CD2 3.5Å; L2204-L2277 VanDerWaalsContact CD2-CD2 3.48Å; L2208-L2277 HydrophobicContact CD1-CB 3.56Å; L2208-L2277 HydrophobicContact CD1-CD1 4.25Å; L2208-L2277 HydrophobicContact CD1-CD2 4.22Å; L2208-L2277 HydrophobicContact CD2-CB 4.42Å; L2208-L2277 HydrophobicContact CD2-CD1 4.28Å; L2208-L2277 HydrophobicContact CD2-CD2 4.19Å; L2229-L2277 HydrophobicContact CD1-CD2 4.37Å; L2229-L2277 HydrophobicContact CD2-CD1 4.18Å; I2247-L2277 HydrophobicContact CG2-CD2 4.43Å; I2254-L2277 HydrophobicContact CD1-CB 4.37Å; I2254-L2277 HydrophobicContact CD1-CD1 3.57Å; I2254-L2277 HydrophobicContact CD1-CG 4.31Å; I2254-L2277 HydrophobicContact CG2-CD1 3.58Å; I2254-L2277 VanDerWaalsContact CG2-CD1 3.48Å; I2254-L2277 HydrophobicContact CG2-CG 4.01Å; I2258-L2277 HydrophobicContact CD1-CD1 4.34Å; T2273-L2277 HydrophobicContact CG2-CD1 4.47Å; T2273-L2277 WeakPolarHBondContact O-CB 3.4Å; T2273-L2277 WeakPolarHBondContact O-CG 3.37Å; T2273-L2277 PolarHBondContact O-N 3.13Å; T2273-L2277 VanDerWaalsContact O-N 3.07Å; S2274-L2277 WeakPolarHBondContact O-CB 3.31Å; S2274-L2277 PolarHBondContact O-N 3.08Å; S2274-L2277 VanDerWaalsContact O-N 3.12Å; K2275-L2277 VanDerWaalsContact C-N 3.34Å; K2275-L2277 PolarHBondContact O-N 2.89Å; L2277-T2279 VanDerWaalsContact C-N 3.31Å; L2277-T2279 PolarHBondContact O-N 2.81Å; L2277-Y2280 WeakPolarHBondContact O-CB 3.43Å; L2277-Y2280 PolarHBondContact O-N 3.17Å; L2277-Y2281 HydrophobicContact CB-CD2 4.13Å; L2277-Y2281 HydrophobicContact CB-CE2 3.85Å; L2277-Y2281 HydrophobicContact CD2-CE2 3.94Å; L2277-Y2281 HydrophobicContact CG-CE2 4.33Å; L2277-Y2281 WeakPolarHBondContact O-CB 3.33Å; L2277-Y2281 WeakPolarHBondContact O-CD2 3.41Å; L2277-Y2281 PolarHBondContact O-N 3.11Å |
| 2278 | I | 61.3 | Low | 59.5 | Low | 52.2 Ų | 52.2 | 51.3 Ų | 51.3 | 27% | 0.268 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 175.9 | -66.7 | 164.9 | 0 | 0 | 0 | 110.8 | L2208 S2274 K2275 Y2280 Y2281 K2282 | L2208-I2278 HydrophobicContact CB-CD1 3.93Å; L2208-I2278 HydrophobicContact CB-CG1 3.46Å; L2208-I2278 VanDerWaalsContact CB-CG1 3.42Å; L2208-I2278 HydrophobicContact CD1-CG1 4.25Å; L2208-I2278 HydrophobicContact CD2-CG1 4.3Å; L2208-I2278 HydrophobicContact CG-CG1 4.41Å; S2274-I2278 VanDerWaalsContact O-CG1 3.26Å; S2274-I2278 WeakPolarHBondContact O-CG1 3.3Å; S2274-I2278 PolarHBondContact O-N 3.22Å; K2275-I2278 PolarHBondContact O-N 2.58Å; I2278-Y2280 VanDerWaalsContact C-N 3.34Å; I2278-Y2280 PolarHBondContact O-N 2.98Å; I2278-Y2281 PolarHBondContact O-N 2.93Å; I2278-K2282 HydrophobicContact CG2-CD 4.03Å; I2278-K2282 HydrophobicContact CG2-CG 4.49Å; I2278-K2282 VanDerWaalsContact O-CB 3.23Å; I2278-K2282 WeakPolarHBondContact O-CB 3.37Å; I2278-K2282 WeakPolarHBondContact O-CG 3.29Å; I2278-K2282 PolarHBondContact O-N 2.94Å; I2278-K2282 VanDerWaalsContact O-N 3.1Å |
| 2279 | T | 63.7 | Low | 59 | Low | 96.8 Ų | 96.8 | 53.1 Ų | 53.1 | 59% | 0.594 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64.7 | -42.2 | 178.2 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | K2275 K2276 L2277 K2282 G2283 | K2275-T2279 WeakPolarHBondContact O-CB 3.33Å; K2275-T2279 PolarHBondContact O-N 2.92Å; K2275-T2279 VanDerWaalsContact O-N 3.1Å; K2275-T2279 PolarHBondContact O-OG1 3.05Å; K2276-T2279 PolarHBondContact O-N 3.23Å; L2277-T2279 VanDerWaalsContact C-N 3.31Å; L2277-T2279 PolarHBondContact O-N 2.81Å; T2279-K2282 PolarHBondContact O-N 3.31Å; T2279-G2283 PolarHBondContact O-N 2.94Å; T2279-G2283 VanDerWaalsContact O-N 3.09Å |
| 2280 | Y | 63.1 | Low | 58.4 | Low | 18.2 Ų | 18.2 | 58.6 Ų | 58.6 | 7% | 0.071 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.7 | -50.5 | 174.8 | 176 | -100 | 0 | 0 | 0 | 112.1 | L2204 L2233 I2236 I2243 P2244 I2247 L2250 T2251 I2254 K2276 L2277 I2278 K2282 G2283 L2284 | L2204-Y2280 HydrophobicContact CD1-CE1 4.17Å; L2233-Y2280 HydrophobicContact CD2-CD1 4.15Å; L2233-Y2280 HydrophobicContact CD2-CE1 3.9Å; I2236-Y2280 HydrophobicContact CD1-CE1 4.3Å; I2236-Y2280 WeakPolarHBondContact CD1-OH 3.5Å; I2236-Y2280 HydrophobicContact CG2-CE1 4.43Å; I2236-Y2280 VanDerWaalsContact CG2-OH 3.28Å; I2236-Y2280 WeakPolarHBondContact CG2-OH 3.36Å; I2243-Y2280 HydrophobicContact CG2-CE1 4.32Å; P2244-Y2280 HydrophobicContact CG-CD2 4.23Å; P2244-Y2280 HydrophobicContact CG-CE2 3.97Å; I2247-Y2280 HydrophobicContact CB-CE2 4.38Å; I2247-Y2280 HydrophobicContact CB-CG 4.49Å; I2247-Y2280 HydrophobicContact CD1-CG 4.26Å; I2247-Y2280 HydrophobicContact CG1-CD2 4.13Å; I2247-Y2280 HydrophobicContact CG1-CG 4.04Å; I2247-Y2280 HydrophobicContact CG2-CD1 3.7Å; I2247-Y2280 HydrophobicContact CG2-CD2 4.09Å; I2247-Y2280 HydrophobicContact CG2-CE1 3.94Å; I2247-Y2280 HydrophobicContact CG2-CE2 3.3Å; I2247-Y2280 HydrophobicContact CG2-CG 4Å; I2247-Y2280 WeakPolarHBondContact O-CE2 3.48Å; L2250-Y2280 HydrophobicContact CB-CD2 4.06Å; L2250-Y2280 HydrophobicContact CB-CE2 4.37Å; T2251-Y2280 HydrophobicContact CG2-CE2 4.37Å; T2251-Y2280 WeakPolarHBondContact CG2-OH 3.31Å; T2251-Y2280 WeakPolarHBondContact OG1-CE2 3.26Å; T2251-Y2280 VanDerWaalsContact OG1-CZ 3.28Å; T2251-Y2280 PolarHBondContact OG1-OH 3.2Å; I2254-Y2280 HydrophobicContact CD1-CD1 4.49Å; I2254-Y2280 HydrophobicContact CD1-CD2 4.32Å; I2254-Y2280 HydrophobicContact CD1-CG 4.11Å; K2276-Y2280 VanDerWaalsContact O-CB 3.23Å; K2276-Y2280 WeakPolarHBondContact O-CB 3.31Å; K2276-Y2280 PolarHBondContact O-N 3.05Å; L2277-Y2280 WeakPolarHBondContact O-CB 3.43Å; L2277-Y2280 PolarHBondContact O-N 3.17Å; I2278-Y2280 VanDerWaalsContact C-N 3.34Å; I2278-Y2280 PolarHBondContact O-N 2.98Å; Y2280-K2282 VanDerWaalsContact C-N 3.32Å; Y2280-K2282 PolarHBondContact O-N 3.22Å; Y2280-G2283 PolarHBondContact O-N 3.21Å; Y2280-G2283 VanDerWaalsContact O-N 3.15Å; Y2280-L2284 HydrophobicContact CE1-CD1 4.08Å; Y2280-L2284 HydrophobicContact CE1-CD2 3.85Å; Y2280-L2284 HydrophobicContact CE2-CD1 4.28Å; Y2280-L2284 WeakPolarHBondContact O-CB 3.38Å; Y2280-L2284 PolarHBondContact O-N 3.07Å |
| 2281 | Y | 60.8 | Low | 57.3 | Low | 38.8 Ų | 38.8 | 59.8 Ų | 59.8 | 15% | 0.152 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 179.4 | -143.2 | -78 | 0 | 0 | 0 | 112.3 | V2201 L2204 E2205 L2208 L2233 I2236 L2277 I2278 G2283 L2284 A2285 | V2201-Y2281 HydrophobicContact CB-CE2 4.36Å; V2201-Y2281 HydrophobicContact CG1-CD1 4.25Å; V2201-Y2281 HydrophobicContact CG1-CD2 4.27Å; V2201-Y2281 HydrophobicContact CG1-CE2 3.61Å; V2201-Y2281 VanDerWaalsContact CG1-CE2 3.46Å; V2201-Y2281 VanDerWaalsContact CG1-O 3.32Å; V2201-Y2281 WeakPolarHBondContact CG1-O 3.31Å; V2201-Y2281 HydrophobicContact CG2-CD1 4.31Å; V2201-Y2281 WeakPolarHBondContact O-CE2 3.35Å; L2204-Y2281 HydrophobicContact CB-CD2 3.92Å; L2204-Y2281 HydrophobicContact CB-CE2 4.18Å; L2204-Y2281 HydrophobicContact CB-CG 4.28Å; L2204-Y2281 HydrophobicContact CD1-CD2 4.45Å; L2204-Y2281 HydrophobicContact CD1-CE1 4.14Å; L2204-Y2281 HydrophobicContact CD1-CE2 3.95Å; L2204-Y2281 HydrophobicContact CD2-CE2 4.06Å; L2204-Y2281 HydrophobicContact CG-CE2 4.25Å; E2205-Y2281 HydrophobicContact CB-CE2 3.9Å; E2205-Y2281 VanDerWaalsContact CD-OH 3.28Å; E2205-Y2281 HydrophobicContact CG-CE2 4.27Å; E2205-Y2281 PolarHBondContact OE1-OH 3.43Å; E2205-Y2281 PolarHBondContact OE2-OH 2.98Å; L2208-Y2281 HydrophobicContact CD1-CD2 3.76Å; L2208-Y2281 HydrophobicContact CD1-CE2 3.94Å; L2208-Y2281 HydrophobicContact CD1-CG 4.43Å; L2233-Y2281 HydrophobicContact CD2-CE2 4.43Å; L2233-Y2281 WeakPolarHBondContact CD2-OH 3.4Å; I2236-Y2281 HydrophobicContact CD1-CD1 3.97Å; I2236-Y2281 HydrophobicContact CD1-CE1 3.38Å; I2236-Y2281 VanDerWaalsContact CD1-CE1 3.46Å; I2236-Y2281 HydrophobicContact CG1-CE1 4.12Å; I2236-Y2281 HydrophobicContact CG2-CE1 4.23Å; L2277-Y2281 HydrophobicContact CB-CD2 4.13Å; L2277-Y2281 HydrophobicContact CB-CE2 3.85Å; L2277-Y2281 HydrophobicContact CD2-CE2 3.94Å; L2277-Y2281 HydrophobicContact CG-CE2 4.33Å; L2277-Y2281 WeakPolarHBondContact O-CB 3.33Å; L2277-Y2281 WeakPolarHBondContact O-CD2 3.41Å; L2277-Y2281 PolarHBondContact O-N 3.11Å; I2278-Y2281 PolarHBondContact O-N 2.93Å; Y2281-G2283 VanDerWaalsContact C-N 3.32Å; Y2281-G2283 PolarHBondContact O-N 3.36Å; Y2281-L2284 HydrophobicContact CD1-CD2 4.36Å; Y2281-L2284 PolarHBondContact O-N 2.95Å; Y2281-L2284 VanDerWaalsContact O-N 3.17Å; Y2281-A2285 WeakPolarHBondContact O-CB 3.4Å; Y2281-A2285 PolarHBondContact O-N 3.28Å |
| 2282 | K | 59.1 | Low | 56.5 | Low | 122.8 Ų | 122.8 | 60 Ų | 60 | 53% | 0.534 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 174.3 | -90.9 | -179.4 | 177.8 | 177.4 | 0 | 112.7 | E2205 I2278 T2279 Y2280 L2284 A2285 N2286 | E2205-K2282 HydrophobicContact CG-CG 4.37Å; E2205-K2282 WeakPolarHBondContact OE1-CD 3.34Å; E2205-K2282 WeakPolarHBondContact OE1-CE 3.17Å; E2205-K2282 WeakPolarHBondContact OE1-CG 3.49Å; E2205-K2282 IonicContact OE1-NZ 2.9Å; E2205-K2282 WeakPolarHBondContact OE2-CG 3.31Å; I2278-K2282 HydrophobicContact CG2-CD 4.03Å; I2278-K2282 HydrophobicContact CG2-CG 4.49Å; I2278-K2282 VanDerWaalsContact O-CB 3.23Å; I2278-K2282 WeakPolarHBondContact O-CB 3.37Å; I2278-K2282 WeakPolarHBondContact O-CG 3.29Å; I2278-K2282 PolarHBondContact O-N 2.94Å; I2278-K2282 VanDerWaalsContact O-N 3.1Å; T2279-K2282 PolarHBondContact O-N 3.31Å; Y2280-K2282 VanDerWaalsContact C-N 3.32Å; Y2280-K2282 PolarHBondContact O-N 3.22Å; K2282-L2284 VanDerWaalsContact C-N 3.32Å; K2282-L2284 PolarHBondContact O-N 3.27Å; K2282-A2285 PolarHBondContact O-N 2.93Å; K2282-N2286 WeakPolarHBondContact O-CB 3.34Å; K2282-N2286 VanDerWaalsContact O-CG 3.28Å; K2282-N2286 PolarHBondContact O-N 3.06Å; K2282-N2286 VanDerWaalsContact O-N 3.14Å; K2282-N2286 PolarHBondContact O-ND2 2.74Å |
| 2283 | G | 59.2 | Low | 55.1 | Low | 30.2 Ų | 30.2 | 63 Ų | 63 | 31% | 0.311 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T2279 Y2280 Y2281 N2286 T2287 | T2279-G2283 PolarHBondContact O-N 2.94Å; T2279-G2283 VanDerWaalsContact O-N 3.09Å; Y2280-G2283 PolarHBondContact O-N 3.21Å; Y2280-G2283 VanDerWaalsContact O-N 3.15Å; Y2281-G2283 VanDerWaalsContact C-N 3.32Å; Y2281-G2283 PolarHBondContact O-N 3.36Å; G2283-N2286 PolarHBondContact O-N 3.04Å; G2283-T2287 WeakPolarHBondContact O-CB 3.28Å; G2283-T2287 PolarHBondContact O-N 3.16Å; G2283-T2287 PolarHBondContact O-OG1 3.08Å |
| 2284 | L | 57.6 | Low | 53.7 | Low | 16.6 Ų | 16.6 | 69.3 Ų | 69.3 | 9% | 0.087 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65 | -46.2 | 178.5 | -159 | 87.3 | 0 | 0 | 0 | 111.6 | L2197 V2201 I2236 M2241 I2247 Y2280 Y2281 K2282 N2286 T2287 L2288 | L2197-L2284 HydrophobicContact CD2-CD1 4.47Å; L2197-L2284 HydrophobicContact CD2-CD2 3.47Å; L2197-L2284 VanDerWaalsContact CD2-CD2 3.47Å; L2197-L2284 HydrophobicContact CD2-CG 3.73Å; L2197-L2284 HydrophobicContact CG-CD2 3.95Å; V2201-L2284 HydrophobicContact CG1-CB 4.12Å; V2201-L2284 HydrophobicContact CG1-CD2 4.35Å; V2201-L2284 HydrophobicContact CG1-CG 4.28Å; V2201-L2284 HydrophobicContact CG2-CD2 3.47Å; V2201-L2284 VanDerWaalsContact CG2-CD2 3.46Å; V2201-L2284 HydrophobicContact CG2-CG 3.98Å; I2236-L2284 HydrophobicContact CD1-CD1 4.29Å; I2236-L2284 HydrophobicContact CG2-CD1 4.27Å; M2241-L2284 HydrophobicContact CE-CD1 3.67Å; M2241-L2284 HydrophobicContact SD-CD1 3.63Å; I2247-L2284 HydrophobicContact CG2-CD1 3.87Å; Y2280-L2284 HydrophobicContact CE1-CD1 4.08Å; Y2280-L2284 HydrophobicContact CE1-CD2 3.85Å; Y2280-L2284 HydrophobicContact CE2-CD1 4.28Å; Y2280-L2284 WeakPolarHBondContact O-CB 3.38Å; Y2280-L2284 PolarHBondContact O-N 3.07Å; Y2281-L2284 HydrophobicContact CD1-CD2 4.36Å; Y2281-L2284 PolarHBondContact O-N 2.95Å; Y2281-L2284 VanDerWaalsContact O-N 3.17Å; K2282-L2284 VanDerWaalsContact C-N 3.32Å; K2282-L2284 PolarHBondContact O-N 3.27Å; L2284-N2286 VanDerWaalsContact C-N 3.33Å; L2284-N2286 PolarHBondContact O-N 3.41Å; L2284-T2287 CarbonylContact O-C 3.31Å; L2284-T2287 WeakPolarHBondContact O-CB 3.39Å; L2284-T2287 PolarHBondContact O-N 3.2Å; L2284-T2287 VanDerWaalsContact O-N 3.08Å; L2284-L2288 HydrophobicContact CD1-CD1 4.39Å; L2284-L2288 HydrophobicContact CD2-CD1 4.08Å; L2284-L2288 HydrophobicContact CG-CD1 4.25Å; L2284-L2288 WeakPolarHBondContact O-CB 3.26Å; L2284-L2288 VanDerWaalsContact O-CG 3.24Å; L2284-L2288 WeakPolarHBondContact O-CG 3.33Å; L2284-L2288 PolarHBondContact O-N 3.07Å |
| 2285 | A | 54.4 | Low | 52.3 | Low | 22.4 Ų | 22.4 | 71.2 Ų | 71.2 | 19% | 0.185 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y2198 V2201 L2202 Y2281 K2282 L2288 K2289 | Y2198-A2285 HydrophobicContact CE2-CB 4.5Å; V2201-A2285 HydrophobicContact CG1-CB 3.88Å; L2202-A2285 HydrophobicContact CD2-CB 4.3Å; Y2281-A2285 WeakPolarHBondContact O-CB 3.4Å; Y2281-A2285 PolarHBondContact O-N 3.28Å; K2282-A2285 PolarHBondContact O-N 2.93Å; A2285-L2288 PolarHBondContact O-N 3.31Å; A2285-K2289 WeakPolarHBondContact O-CB 3.35Å; A2285-K2289 PolarHBondContact O-N 3.11Å; A2285-K2289 VanDerWaalsContact O-N 3.11Å |
| 2286 | N | 56.2 | Low | 50.7 | Low | 98.2 Ų | 98.2 | 71.4 Ų | 71.4 | 53% | 0.525 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 175.5 | -74.5 | -10.4 | 0 | 0 | 0 | 112.1 | K2282 G2283 L2284 L2288 K2289 E2290 | K2282-N2286 WeakPolarHBondContact O-CB 3.34Å; K2282-N2286 VanDerWaalsContact O-CG 3.28Å; K2282-N2286 PolarHBondContact O-N 3.06Å; K2282-N2286 VanDerWaalsContact O-N 3.14Å; K2282-N2286 PolarHBondContact O-ND2 2.74Å; G2283-N2286 PolarHBondContact O-N 3.04Å; L2284-N2286 VanDerWaalsContact C-N 3.33Å; L2284-N2286 PolarHBondContact O-N 3.41Å; N2286-L2288 VanDerWaalsContact C-N 3.33Å; N2286-L2288 PolarHBondContact O-N 3.36Å; N2286-K2289 WeakPolarHBondContact O-CB 3.36Å; N2286-K2289 PolarHBondContact O-N 3.31Å; N2286-K2289 VanDerWaalsContact O-N 3.15Å; N2286-E2290 WeakPolarHBondContact O-CB 3.17Å; N2286-E2290 WeakPolarHBondContact O-CG 3.32Å; N2286-E2290 PolarHBondContact O-N 3.02Å |
| 2287 | T | 54.2 | Low | 48.8 | Very low | 50.8 Ų | 50.8 | 71.1 Ų | 71.1 | 31% | 0.312 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 178.7 | -50.9 | 0 | 0 | 0 | 0 | 111.7 | M2241 P2244 G2283 L2284 E2290 K2291 | M2241-T2287 HydrophobicContact CE-CG2 4.17Å; P2244-T2287 HydrophobicContact CG-CG2 4.23Å; G2283-T2287 WeakPolarHBondContact O-CB 3.28Å; G2283-T2287 PolarHBondContact O-N 3.16Å; G2283-T2287 PolarHBondContact O-OG1 3.08Å; L2284-T2287 CarbonylContact O-C 3.31Å; L2284-T2287 WeakPolarHBondContact O-CB 3.39Å; L2284-T2287 PolarHBondContact O-N 3.2Å; L2284-T2287 VanDerWaalsContact O-N 3.08Å; T2287-E2290 PolarHBondContact O-N 3.49Å; T2287-K2291 WeakPolarHBondContact O-CB 3.06Å; T2287-K2291 WeakPolarHBondContact O-CG 2.93Å; T2287-K2291 PolarHBondContact O-N 3.17Å; T2287-K2291 VanDerWaalsContact O-N 3.13Å |
| 2288 | L | 49.1 | Very low | 47 | Very low | 20.4 Ų | 20.4 | 79.2 Ų | 79.2 | 11% | 0.107 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66 | -44.1 | 174 | -73.8 | 171.1 | 0 | 0 | 0 | 111.3 | V2193 L2197 Y2198 V2201 M2241 L2284 A2285 N2286 E2290 K2291 Y2292 | V2193-L2288 HydrophobicContact CB-CD2 4.38Å; V2193-L2288 HydrophobicContact CG1-CB 4.26Å; V2193-L2288 HydrophobicContact CG1-CD1 3.74Å; V2193-L2288 HydrophobicContact CG1-CD2 3.45Å; V2193-L2288 VanDerWaalsContact CG1-CD2 3.4Å; V2193-L2288 HydrophobicContact CG1-CG 3.96Å; V2193-L2288 HydrophobicContact CG2-CD2 3.98Å; L2197-L2288 HydrophobicContact CB-CD1 4.01Å; L2197-L2288 HydrophobicContact CB-CD2 4.02Å; L2197-L2288 HydrophobicContact CB-CG 4.26Å; L2197-L2288 HydrophobicContact CD2-CD1 4Å; L2197-L2288 HydrophobicContact CD2-CD2 4.02Å; L2197-L2288 HydrophobicContact CD2-CG 3.57Å; L2197-L2288 HydrophobicContact CG-CD1 4.21Å; Y2198-L2288 HydrophobicContact CD2-CB 3.81Å; Y2198-L2288 HydrophobicContact CD2-CD1 4.25Å; Y2198-L2288 HydrophobicContact CE2-CB 4.37Å; Y2198-L2288 HydrophobicContact CG-CB 4.47Å; V2201-L2288 HydrophobicContact CB-CD1 4.5Å; V2201-L2288 HydrophobicContact CG2-CD1 4Å; M2241-L2288 HydrophobicContact CE-CD2 3.95Å; M2241-L2288 HydrophobicContact SD-CD2 3.95Å; M2241-L2288 WeakPolarHBondContact SD-CD2 3.19Å; L2284-L2288 HydrophobicContact CD1-CD1 4.39Å; L2284-L2288 HydrophobicContact CD2-CD1 4.08Å; L2284-L2288 HydrophobicContact CG-CD1 4.25Å; L2284-L2288 WeakPolarHBondContact O-CB 3.26Å; L2284-L2288 VanDerWaalsContact O-CG 3.24Å; L2284-L2288 WeakPolarHBondContact O-CG 3.33Å; L2284-L2288 PolarHBondContact O-N 3.07Å; A2285-L2288 PolarHBondContact O-N 3.31Å; N2286-L2288 VanDerWaalsContact C-N 3.33Å; N2286-L2288 PolarHBondContact O-N 3.36Å; L2288-E2290 VanDerWaalsContact C-N 3.32Å; L2288-E2290 PolarHBondContact O-N 3.09Å; L2288-K2291 WeakPolarHBondContact O-CB 3.3Å; L2288-K2291 PolarHBondContact O-N 2.88Å; L2288-K2291 VanDerWaalsContact O-N 3.1Å; L2288-Y2292 HydrophobicContact CB-CE2 4.34Å; L2288-Y2292 HydrophobicContact CD2-CD2 4.4Å; L2288-Y2292 HydrophobicContact CD2-CE2 4.21Å; L2288-Y2292 VanDerWaalsContact O-CD2 3.24Å; L2288-Y2292 WeakPolarHBondContact O-CD2 3.41Å; L2288-Y2292 PolarHBondContact O-N 3.14Å; L2288-Y2292 VanDerWaalsContact O-N 3.12Å |
| 2289 | K | 47.1 | Very low | 45.3 | Very low | 114.4 Ų | 114.4 | 84.6 Ų | 84.6 | 50% | 0.497 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 176.2 | -149.1 | 177.7 | 179.4 | 178.2 | 0 | 112 | Y2198 A2285 N2286 K2291 Y2292 I2293 V2331 | Y2198-K2289 HydrophobicContact CE2-CB 4.32Å; A2285-K2289 WeakPolarHBondContact O-CB 3.35Å; A2285-K2289 PolarHBondContact O-N 3.11Å; A2285-K2289 VanDerWaalsContact O-N 3.11Å; N2286-K2289 WeakPolarHBondContact O-CB 3.36Å; N2286-K2289 PolarHBondContact O-N 3.31Å; N2286-K2289 VanDerWaalsContact O-N 3.15Å; K2289-K2291 VanDerWaalsContact C-N 3.29Å; K2289-K2291 PolarHBondContact O-N 3.1Å; K2289-Y2292 PolarHBondContact O-N 3.27Å; K2289-I2293 HydrophobicContact CD-CD1 4.43Å; K2289-I2293 HydrophobicContact CG-CD1 3.87Å; K2289-I2293 HydrophobicContact CG-CG1 4.39Å; K2289-I2293 WeakPolarHBondContact O-CB 3.43Å; K2289-I2293 WeakPolarHBondContact O-CD1 3.2Å; K2289-I2293 VanDerWaalsContact O-CG1 3.24Å; K2289-I2293 WeakPolarHBondContact O-CG1 3.42Å; K2289-I2293 PolarHBondContact O-N 2.99Å; K2289-I2293 VanDerWaalsContact O-N 3.09Å; K2289-V2331 PolarHBondContact NZ-O 3.43Å |
| 2290 | E | 44.9 | Very low | 43.5 | Very low | 120.2 Ų | 120.2 | 85.4 Ų | 85.4 | 56% | 0.562 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63.4 | -36.7 | 176.2 | -83.9 | -171.8 | 177.4 | 0 | 0 | 113.1 | N2286 T2287 L2288 I2293 K2294 | N2286-E2290 WeakPolarHBondContact O-CB 3.17Å; N2286-E2290 WeakPolarHBondContact O-CG 3.32Å; N2286-E2290 PolarHBondContact O-N 3.02Å; T2287-E2290 PolarHBondContact O-N 3.49Å; L2288-E2290 VanDerWaalsContact C-N 3.32Å; L2288-E2290 PolarHBondContact O-N 3.09Å; E2290-I2293 PolarHBondContact O-N 3.17Å; E2290-K2294 WeakPolarHBondContact O-CB 3.3Å; E2290-K2294 VanDerWaalsContact O-CD 3.28Å; E2290-K2294 WeakPolarHBondContact O-CD 3.38Å; E2290-K2294 WeakPolarHBondContact O-CG 3.35Å; E2290-K2294 PolarHBondContact O-N 3.03Å; E2290-K2294 IonicContact OE2-NZ 2.62Å |
| 2291 | K | 42.2 | Very low | 41.6 | Very low | 90 Ų | 90 | 87.8 Ų | 87.8 | 39% | 0.391 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.2 | -43.7 | 175.4 | -81.4 | -170.5 | 173.7 | -173.5 | 0 | 112 | T2191 V2193 M2241 L2242 T2287 L2288 K2289 I2293 K2294 S2295 | T2191-K2291 PolarHBondContact OG1-NZ 3.4Å; V2193-K2291 HydrophobicContact CG2-CB 4.31Å; V2193-K2291 HydrophobicContact CG2-CD 3.57Å; V2193-K2291 VanDerWaalsContact CG2-CD 3.45Å; V2193-K2291 HydrophobicContact CG2-CG 4.46Å; M2241-K2291 HydrophobicContact CE-CD 4.15Å; L2242-K2291 PolarHBondContact O-NZ 3.4Å; T2287-K2291 WeakPolarHBondContact O-CB 3.06Å; T2287-K2291 WeakPolarHBondContact O-CG 2.93Å; T2287-K2291 PolarHBondContact O-N 3.17Å; T2287-K2291 VanDerWaalsContact O-N 3.13Å; L2288-K2291 WeakPolarHBondContact O-CB 3.3Å; L2288-K2291 PolarHBondContact O-N 2.88Å; L2288-K2291 VanDerWaalsContact O-N 3.1Å; K2289-K2291 VanDerWaalsContact C-N 3.29Å; K2289-K2291 PolarHBondContact O-N 3.1Å; K2291-I2293 VanDerWaalsContact C-N 3.3Å; K2291-I2293 PolarHBondContact O-N 2.9Å; K2291-K2294 PolarHBondContact O-N 3.41Å; K2291-S2295 WeakPolarHBondContact O-CB 3.38Å; K2291-S2295 PolarHBondContact O-N 2.82Å; K2291-S2295 VanDerWaalsContact O-N 3.08Å; K2291-S2295 PolarHBondContact O-OG 3.08Å |
| 2292 | Y | 36.6 | Very low | 39.9 | Very low | 106.2 Ų | 106.2 | 90.9 Ų | 90.9 | 42% | 0.416 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.4 | -35.3 | 176.5 | -86.4 | -76.3 | 0 | 0 | 0 | 113 | V2193 D2194 Y2195 Y2198 L2288 K2289 K2294 S2295 E2296 | V2193-Y2292 HydrophobicContact CB-CE1 4.23Å; V2193-Y2292 HydrophobicContact CB-CE2 4.4Å; V2193-Y2292 HydrophobicContact CG1-CE2 3.82Å; V2193-Y2292 VanDerWaalsContact CG1-OH 3.26Å; V2193-Y2292 WeakPolarHBondContact CG1-OH 3.48Å; V2193-Y2292 PolarHBondContact O-OH 3.14Å; D2194-Y2292 VanDerWaalsContact C-OH 3.31Å; D2194-Y2292 HydrophobicContact CB-CE2 4.05Å; D2194-Y2292 PolarHBondContact O-OH 3.1Å; Y2195-Y2292 VanDerWaalsContact CA-OH 3.27Å; Y2195-Y2292 WeakPolarHBondContact CA-OH 3.23Å; Y2195-Y2292 PolarHBondContact N-OH 3.01Å; Y2198-Y2292 HydrophobicContact CD1-CE2 4.43Å; Y2198-Y2292 HydrophobicContact CD2-CE2 4.22Å; Y2198-Y2292 AromaticContact CG-CE2 3.93Å; Y2198-Y2292 HydrophobicContact CG-CE2 4.11Å; L2288-Y2292 HydrophobicContact CB-CE2 4.34Å; L2288-Y2292 HydrophobicContact CD2-CD2 4.4Å; L2288-Y2292 HydrophobicContact CD2-CE2 4.21Å; L2288-Y2292 VanDerWaalsContact O-CD2 3.24Å; L2288-Y2292 WeakPolarHBondContact O-CD2 3.41Å; L2288-Y2292 PolarHBondContact O-N 3.14Å; L2288-Y2292 VanDerWaalsContact O-N 3.12Å; K2289-Y2292 PolarHBondContact O-N 3.27Å; Y2292-K2294 VanDerWaalsContact C-N 3.33Å; Y2292-K2294 PolarHBondContact O-N 3.12Å; Y2292-S2295 WeakPolarHBondContact CA-OG 3.46Å; Y2292-S2295 PolarHBondContact O-N 3.3Å; Y2292-S2295 PolarHBondContact O-OG 3.15Å; Y2292-S2295 VanDerWaalsContact O-OG 3.09Å; Y2292-E2296 WeakPolarHBondContact O-CB 3.37Å; Y2292-E2296 WeakPolarHBondContact O-CG 3.24Å; Y2292-E2296 PolarHBondContact O-N 3.22Å |
| 2293 | I | 34.9 | Very low | 38.3 | Very low | 103.6 Ų | 103.6 | 89.3 Ų | 89.3 | 53% | 0.531 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.5 | -33.3 | 175 | -68.8 | 167.1 | 0 | 0 | 0 | 111.3 | K2289 E2290 K2291 S2295 E2296 S2297 | K2289-I2293 HydrophobicContact CD-CD1 4.43Å; K2289-I2293 HydrophobicContact CG-CD1 3.87Å; K2289-I2293 HydrophobicContact CG-CG1 4.39Å; K2289-I2293 WeakPolarHBondContact O-CB 3.43Å; K2289-I2293 WeakPolarHBondContact O-CD1 3.2Å; K2289-I2293 VanDerWaalsContact O-CG1 3.24Å; K2289-I2293 WeakPolarHBondContact O-CG1 3.42Å; K2289-I2293 PolarHBondContact O-N 2.99Å; K2289-I2293 VanDerWaalsContact O-N 3.09Å; E2290-I2293 PolarHBondContact O-N 3.17Å; K2291-I2293 VanDerWaalsContact C-N 3.3Å; K2291-I2293 PolarHBondContact O-N 2.9Å; I2293-S2295 VanDerWaalsContact C-N 3.29Å; I2293-S2295 PolarHBondContact O-N 2.8Å; I2293-E2296 PolarHBondContact O-N 3.31Å; I2293-S2297 WeakPolarHBondContact O-CB 3.4Å; I2293-S2297 PolarHBondContact O-N 3.06Å; I2293-S2297 PolarHBondContact O-OG 2.99Å |
| 2294 | K | 32.8 | Very low | 36.6 | Very low | 142 Ų | 142 | 91.2 Ų | 91.2 | 62% | 0.617 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -75.3 | -27.7 | 178 | -77.9 | 178.2 | 178.9 | 171 | 0 | 113.6 | E2290 K2291 Y2292 E2296 S2297 W2298 | E2290-K2294 WeakPolarHBondContact O-CB 3.3Å; E2290-K2294 VanDerWaalsContact O-CD 3.28Å; E2290-K2294 WeakPolarHBondContact O-CD 3.38Å; E2290-K2294 WeakPolarHBondContact O-CG 3.35Å; E2290-K2294 PolarHBondContact O-N 3.03Å; E2290-K2294 IonicContact OE2-NZ 2.62Å; K2291-K2294 PolarHBondContact O-N 3.41Å; Y2292-K2294 VanDerWaalsContact C-N 3.33Å; Y2292-K2294 PolarHBondContact O-N 3.12Å; K2294-E2296 VanDerWaalsContact C-N 3.3Å; K2294-E2296 PolarHBondContact O-N 3.1Å; K2294-S2297 VanDerWaalsContact CA-OG 3.3Å; K2294-S2297 WeakPolarHBondContact CA-OG 3.36Å; K2294-S2297 PolarHBondContact O-N 3.37Å; K2294-S2297 PolarHBondContact O-OG 3.12Å; K2294-W2298 PolarHBondContact O-N 3.05Å |
| 2295 | S | 30.4 | Very low | 35.1 | Very low | 49.4 Ų | 49.4 | 97.2 Ų | 97.2 | 35% | 0.345 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.9 | -16.6 | 177.1 | 61.9 | 0 | 0 | 0 | 0 | 112.7 | K2291 Y2292 I2293 S2297 W2298 K2299 | K2291-S2295 WeakPolarHBondContact O-CB 3.38Å; K2291-S2295 PolarHBondContact O-N 2.82Å; K2291-S2295 VanDerWaalsContact O-N 3.08Å; K2291-S2295 PolarHBondContact O-OG 3.08Å; Y2292-S2295 WeakPolarHBondContact CA-OG 3.46Å; Y2292-S2295 PolarHBondContact O-N 3.3Å; Y2292-S2295 PolarHBondContact O-OG 3.15Å; Y2292-S2295 VanDerWaalsContact O-OG 3.09Å; I2293-S2295 VanDerWaalsContact C-N 3.29Å; I2293-S2295 PolarHBondContact O-N 2.8Å; S2295-S2297 PolarHBondContact O-N 3.12Å; S2295-S2297 VanDerWaalsContact O-N 3.14Å; S2295-W2298 WeakPolarHBondContact O-CB 3.41Å; S2295-W2298 PolarHBondContact O-N 2.9Å; S2295-W2298 VanDerWaalsContact O-N 3.08Å; S2295-K2299 PolarHBondContact O-N 3.16Å |
| 2296 | E | 28.7 | Very low | 33.6 | Very low | 122.4 Ų | 122.4 | 105.6 Ų | 105.6 | 57% | 0.572 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -70.8 | -29.7 | 176.7 | -73.9 | -172.6 | 148.2 | 0 | 0 | 113.2 | Y2292 I2293 K2294 W2298 K2299 I2300 F2328 | Y2292-E2296 WeakPolarHBondContact O-CB 3.37Å; Y2292-E2296 WeakPolarHBondContact O-CG 3.24Å; Y2292-E2296 PolarHBondContact O-N 3.22Å; I2293-E2296 PolarHBondContact O-N 3.31Å; K2294-E2296 VanDerWaalsContact C-N 3.3Å; K2294-E2296 PolarHBondContact O-N 3.1Å; E2296-W2298 VanDerWaalsContact C-N 3.28Å; E2296-W2298 PolarHBondContact O-N 2.97Å; E2296-K2299 WeakPolarHBondContact O-CB 3.21Å; E2296-K2299 PolarHBondContact O-N 3.19Å; E2296-K2299 VanDerWaalsContact O-N 3.09Å; E2296-I2300 HydrophobicContact CB-CD1 4.43Å; E2296-I2300 WeakPolarHBondContact O-CB 3.4Å; E2296-I2300 WeakPolarHBondContact O-CD1 3.46Å; E2296-I2300 WeakPolarHBondContact O-CG1 3.44Å; E2296-I2300 PolarHBondContact O-N 3.03Å; E2296-F2328 VanDerWaalsContact CD-CD2 3.46Å; E2296-F2328 VanDerWaalsContact CD-CZ 3.41Å; E2296-F2328 HydrophobicContact CG-CD2 3.62Å; E2296-F2328 HydrophobicContact CG-CE2 3.59Å; E2296-F2328 HydrophobicContact CG-CG 4.29Å; E2296-F2328 HydrophobicContact CG-CZ 4.23Å; E2296-F2328 WeakPolarHBondContact OE1-CD1 3.22Å; E2296-F2328 WeakPolarHBondContact OE1-CG 3.05Å; E2296-F2328 WeakPolarHBondContact OE2-CE2 3.43Å; E2296-F2328 WeakPolarHBondContact OE2-CZ 3.33Å |
| 2297 | S | 25.8 | Very low | 32.1 | Very low | 73.8 Ų | 73.8 | 109 Ų | 109 | 52% | 0.516 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.9 | -21.8 | 176.7 | 55.3 | 0 | 0 | 0 | 0 | 113.4 | I2293 K2294 S2295 K2299 I2300 A2301 | I2293-S2297 WeakPolarHBondContact O-CB 3.4Å; I2293-S2297 PolarHBondContact O-N 3.06Å; I2293-S2297 PolarHBondContact O-OG 2.99Å; K2294-S2297 VanDerWaalsContact CA-OG 3.3Å; K2294-S2297 WeakPolarHBondContact CA-OG 3.36Å; K2294-S2297 PolarHBondContact O-N 3.37Å; K2294-S2297 PolarHBondContact O-OG 3.12Å; S2295-S2297 PolarHBondContact O-N 3.12Å; S2295-S2297 VanDerWaalsContact O-N 3.14Å; S2297-K2299 VanDerWaalsContact C-N 3.26Å; S2297-K2299 PolarHBondContact O-N 3.28Å; S2297-I2300 PolarHBondContact O-N 3Å; S2297-A2301 VanDerWaalsContact O-CB 3.3Å; S2297-A2301 WeakPolarHBondContact O-CB 3.35Å; S2297-A2301 PolarHBondContact O-N 3.34Å; S2297-A2301 VanDerWaalsContact O-N 3.11Å |
| 2298 | W | 25 | Very low | 30.6 | Very low | 174 Ų | 174 | 112.3 Ų | 112.3 | 66% | 0.659 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -73.3 | -2.2 | 173.9 | -131.8 | 15.4 | 0 | 0 | 0 | 111.7 | E2190 K2294 S2295 E2296 I2300 A2301 N2302 | E2190-W2298 VanDerWaalsContact CD-CZ3 3.44Å; E2190-W2298 HydrophobicContact CG-CH2 3.99Å; E2190-W2298 HydrophobicContact CG-CZ3 4.5Å; E2190-W2298 WeakPolarHBondContact OE1-CH2 3.44Å; E2190-W2298 VanDerWaalsContact OE1-CZ3 3.31Å; E2190-W2298 WeakPolarHBondContact OE1-CZ3 3.43Å; E2190-W2298 VanDerWaalsContact OE2-CZ3 3.32Å; E2190-W2298 WeakPolarHBondContact OE2-CZ3 3.38Å; K2294-W2298 PolarHBondContact O-N 3.05Å; S2295-W2298 WeakPolarHBondContact O-CB 3.41Å; S2295-W2298 PolarHBondContact O-N 2.9Å; S2295-W2298 VanDerWaalsContact O-N 3.08Å; E2296-W2298 VanDerWaalsContact C-N 3.28Å; E2296-W2298 PolarHBondContact O-N 2.97Å; W2298-I2300 VanDerWaalsContact C-N 3.27Å; W2298-I2300 PolarHBondContact O-N 3.18Å; W2298-A2301 PolarHBondContact O-N 3.11Å; W2298-N2302 VanDerWaalsContact CH2-ND2 3.32Å; W2298-N2302 WeakPolarHBondContact CH2-ND2 3.07Å; W2298-N2302 WeakPolarHBondContact CZ2-ND2 3.42Å; W2298-N2302 PolarHBondContact NE1-ND2 2.88Å; W2298-N2302 PolarHBondContact O-N 3.1Å; W2298-N2302 VanDerWaalsContact O-N 3.17Å |
| 2299 | K | 25.4 | Very low | 29.4 | Very low | 165.4 Ų | 165.4 | 118.5 Ų | 118.5 | 72% | 0.719 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.5 | -1.9 | 170.3 | -80.9 | -173.1 | 175.4 | -179.4 | 0 | 111.2 | S2295 E2296 S2297 A2301 N2302 S2303 | S2295-K2299 PolarHBondContact O-N 3.16Å; E2296-K2299 WeakPolarHBondContact O-CB 3.21Å; E2296-K2299 PolarHBondContact O-N 3.19Å; E2296-K2299 VanDerWaalsContact O-N 3.09Å; S2297-K2299 VanDerWaalsContact C-N 3.26Å; S2297-K2299 PolarHBondContact O-N 3.28Å; K2299-A2301 PolarHBondContact O-N 3.35Å; K2299-A2301 VanDerWaalsContact O-N 3.16Å; K2299-N2302 PolarHBondContact O-N 3.31Å; K2299-S2303 WeakPolarHBondContact O-CB 3.16Å; K2299-S2303 PolarHBondContact O-N 3.06Å; K2299-S2303 PolarHBondContact O-OG 3.08Å; K2299-S2303 VanDerWaalsContact O-OG 3.08Å |
| 2300 | I | 25.2 | Very low | 28.3 | Very low | 112.8 Ų | 112.8 | 121.1 Ų | 121.1 | 58% | 0.578 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.4 | -11.1 | 171.6 | -62.3 | 167.8 | 0 | 0 | 0 | 109.6 | E2296 S2297 W2298 N2302 S2303 S2304 | E2296-I2300 HydrophobicContact CB-CD1 4.43Å; E2296-I2300 WeakPolarHBondContact O-CB 3.4Å; E2296-I2300 WeakPolarHBondContact O-CD1 3.46Å; E2296-I2300 WeakPolarHBondContact O-CG1 3.44Å; E2296-I2300 PolarHBondContact O-N 3.03Å; S2297-I2300 PolarHBondContact O-N 3Å; W2298-I2300 VanDerWaalsContact C-N 3.27Å; W2298-I2300 PolarHBondContact O-N 3.18Å; I2300-N2302 VanDerWaalsContact C-N 3.3Å; I2300-N2302 PolarHBondContact O-N 3.01Å; I2300-S2303 WeakPolarHBondContact CA-OG 3.27Å; I2300-S2303 PolarHBondContact O-N 3.3Å; I2300-S2303 PolarHBondContact O-OG 3.2Å; I2300-S2304 PolarHBondContact O-N 3.45Å; I2300-S2304 PolarHBondContact O-OG 3.39Å; I2300-S2304 VanDerWaalsContact O-OG 3.1Å |
| 2301 | A | 24.8 | Very low | 27.4 | Very low | 68.4 Ų | 68.4 | 122.3 Ų | 122.3 | 57% | 0.565 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -74.2 | 4.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | S2297 W2298 K2299 S2303 S2304 | S2297-A2301 VanDerWaalsContact O-CB 3.3Å; S2297-A2301 WeakPolarHBondContact O-CB 3.35Å; S2297-A2301 PolarHBondContact O-N 3.34Å; S2297-A2301 VanDerWaalsContact O-N 3.11Å; W2298-A2301 PolarHBondContact O-N 3.11Å; K2299-A2301 PolarHBondContact O-N 3.35Å; K2299-A2301 VanDerWaalsContact O-N 3.16Å; A2301-S2303 PolarHBondContact O-N 3.35Å; A2301-S2303 VanDerWaalsContact O-N 3.13Å; A2301-S2304 PolarHBondContact O-N 2.87Å; A2301-S2304 PolarHBondContact O-OG 2.83Å; A2301-S2304 VanDerWaalsContact O-OG 3.1Å |
| 2302 | N | 24.4 | Very low | 26.6 | Very low | 105 Ų | 105 | 124.5 Ų | 124.5 | 56% | 0.561 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.3 | 23.3 | 167.5 | -95 | 7.5 | 0 | 0 | 0 | 112.4 | W2298 K2299 I2300 S2304 | W2298-N2302 VanDerWaalsContact CH2-ND2 3.32Å; W2298-N2302 WeakPolarHBondContact CH2-ND2 3.07Å; W2298-N2302 WeakPolarHBondContact CZ2-ND2 3.42Å; W2298-N2302 PolarHBondContact NE1-ND2 2.88Å; W2298-N2302 PolarHBondContact O-N 3.1Å; W2298-N2302 VanDerWaalsContact O-N 3.17Å; K2299-N2302 PolarHBondContact O-N 3.31Å; I2300-N2302 VanDerWaalsContact C-N 3.3Å; I2300-N2302 PolarHBondContact O-N 3.01Å; N2302-S2304 VanDerWaalsContact C-N 3.29Å; N2302-S2304 PolarHBondContact ND2-OG 2.86Å; N2302-S2304 VanDerWaalsContact ND2-OG 3.1Å; N2302-S2304 PolarHBondContact O-N 2.68Å |
| 2303 | S | 24.9 | Very low | 26.1 | Very low | 89.8 Ų | 89.8 | 128.7 Ų | 128.7 | 63% | 0.628 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -63.8 | 11.5 | 157.1 | 62.4 | 0 | 0 | 0 | 0 | 112 | K2299 I2300 A2301 L2305 Y2306 | K2299-S2303 WeakPolarHBondContact O-CB 3.16Å; K2299-S2303 PolarHBondContact O-N 3.06Å; K2299-S2303 PolarHBondContact O-OG 3.08Å; K2299-S2303 VanDerWaalsContact O-OG 3.08Å; I2300-S2303 WeakPolarHBondContact CA-OG 3.27Å; I2300-S2303 PolarHBondContact O-N 3.3Å; I2300-S2303 PolarHBondContact O-OG 3.2Å; A2301-S2303 PolarHBondContact O-N 3.35Å; A2301-S2303 VanDerWaalsContact O-N 3.13Å; S2303-L2305 VanDerWaalsContact C-N 3.31Å; S2303-L2305 PolarHBondContact O-N 3.27Å; S2303-Y2306 PolarHBondContact O-N 3.11Å |
| 2304 | S | 23.7 | Very low | 25.8 | Very low | 70.2 Ų | 70.2 | 127 Ų | 127 | 49% | 0.491 | 66% | 0.661 | S | S | . | * | trans | -107.6 | 19.5 | 167.7 | 57.4 | 0 | 0 | 0 | 0 | 112.7 | I2300 A2301 N2302 Y2306 Q2307 | I2300-S2304 PolarHBondContact O-N 3.45Å; I2300-S2304 PolarHBondContact O-OG 3.39Å; I2300-S2304 VanDerWaalsContact O-OG 3.1Å; A2301-S2304 PolarHBondContact O-N 2.87Å; A2301-S2304 PolarHBondContact O-OG 2.83Å; A2301-S2304 VanDerWaalsContact O-OG 3.1Å; N2302-S2304 VanDerWaalsContact C-N 3.29Å; N2302-S2304 PolarHBondContact ND2-OG 2.86Å; N2302-S2304 VanDerWaalsContact ND2-OG 3.1Å; N2302-S2304 PolarHBondContact O-N 2.68Å; S2304-Y2306 PolarHBondContact O-N 3.15Å; S2304-Y2306 VanDerWaalsContact O-N 3.1Å; S2304-Q2307 PolarHBondContact O-N 3.21Å | ||
| 2305 | L | 26 | Very low | 25.6 | Very low | 141.6 Ų | 141.6 | 125 Ų | 125 | 74% | 0.741 | 66% | 0.656 | S | S | * | * | trans | -99.9 | 17.1 | 169.2 | -108.5 | 132.2 | 0 | 0 | 0 | 112.1 | S2303 L2849 | S2303-L2305 VanDerWaalsContact C-N 3.31Å; S2303-L2305 PolarHBondContact O-N 3.27Å; L2305-L2849 HydrophobicContact CB-CD2 4.49Å; L2305-L2849 HydrophobicContact CD1-CB 4.18Å; L2305-L2849 HydrophobicContact CD1-CD1 4.4Å | ||
| 2306 | Y | 23.8 | Very low | 25.4 | Very low | 199 Ų | 199 | 129.2 Ų | 129.2 | 78% | 0.78 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -99 | 98 | 149.8 | -73.7 | -71.8 | 0 | 0 | 0 | 111.2 | S2303 S2304 T2308 | S2303-Y2306 PolarHBondContact O-N 3.11Å; S2304-Y2306 PolarHBondContact O-N 3.15Å; S2304-Y2306 VanDerWaalsContact O-N 3.1Å; Y2306-T2308 PolarHBondContact O-N 3.26Å |
| 2307 | Q | 23.6 | Very low | 25.4 | Very low | 168.8 Ų | 168.8 | 127.8 Ų | 127.8 | 79% | 0.789 | 68% | 0.679 | S | S | * | * | trans | -100.7 | 119.6 | 163.8 | -75.9 | 163.3 | -25.4 | 0 | 0 | 111.7 | S2304 D2309 | S2304-Q2307 PolarHBondContact O-N 3.21Å; Q2307-D2309 PolarHBondContact O-N 3.2Å | ||
| 2308 | T | 23.6 | Very low | 25.4 | Very low | 120.6 Ų | 120.6 | 128.2 Ų | 128.2 | 74% | 0.74 | 68% | 0.678 | S | S | * | * | trans | -89.8 | 113.8 | 136.1 | 49.3 | 0 | 0 | 0 | 0 | 110.3 | Y2306 L2315 | Y2306-T2308 PolarHBondContact O-N 3.26Å; T2308-L2315 HydrophobicContact CG2-CD2 4.36Å | ||
| 2309 | D | 24.6 | Very low | 25.4 | Very low | 151.6 Ų | 151.6 | 125.1 Ų | 125.1 | 81% | 0.811 | 67% | 0.671 | S | S | * | * | -112.7 | 144.2 | 118.7 | -71.2 | -41.1 | 0 | 0 | 0 | 111.8 | Q2307 N2311 | Q2307-D2309 PolarHBondContact O-N 3.2Å; D2309-N2311 PolarHBondContact O-N 3.2Å | |||
| 2310 | E | 23.3 | Very low | 25.3 | Very low | 169 Ų | 169 | 123.4 Ų | 123.4 | 79% | 0.79 | 67% | 0.67 | S | S | * | * | trans | -49.4 | 125 | 174.7 | -68.8 | 178.7 | 163.1 | 0 | 0 | 113.9 | ||||
| 2311 | N | 25.7 | Very low | 25.3 | Very low | 144.6 Ų | 144.6 | 122.5 Ų | 122.5 | 77% | 0.773 | 67% | 0.67 | S | S | * | * | trans | 154 | 112.8 | 153.8 | -74.5 | -54.8 | 0 | 0 | 0 | 112.4 | D2309 E2313 A2314 | D2309-N2311 PolarHBondContact O-N 3.2Å; N2311-E2313 PolarHBondContact O-N 3.4Å; N2311-E2313 VanDerWaalsContact O-N 3.08Å; N2311-A2314 PolarHBondContact O-N 2.7Å | ||
| 2312 | D | 26.6 | Very low | 25.3 | Very low | 137 Ų | 137 | 124.9 Ų | 124.9 | 73% | 0.733 | 67% | 0.672 | S | S | * | * | trans | -81.2 | 53.2 | 173.3 | -84.2 | -29.1 | 0 | 0 | 0 | 114.8 | A2314 E2434 K2437 | D2312-A2314 PolarHBondContact O-N 2.81Å; D2312-E2434 HydrophobicContact CB-CG 3.9Å; D2312-K2437 IonicContact OD1-NZ 3.58Å; D2312-K2437 PolarHBondContact OD1-NZ 2.92Å; D2312-K2437 IonicContact OD2-NZ 3.75Å; D2312-K2437 PolarHBondContact OD2-NZ 3.42Å | ||
| 2313 | E | 26.1 | Very low | 25.3 | Very low | 194.6 Ų | 194.6 | 124.4 Ų | 124.4 | 91% | 0.909 | 67% | 0.669 | S | S | * | * | trans | -104.9 | 29.6 | 160.6 | -76.2 | -173.3 | 164.1 | 0 | 0 | 115.7 | N2311 L2315 | N2311-E2313 PolarHBondContact O-N 3.4Å; N2311-E2313 VanDerWaalsContact O-N 3.08Å; E2313-L2315 VanDerWaalsContact C-N 3.32Å | ||
| 2314 | A | 27.1 | Very low | 25.3 | Very low | 67.2 Ų | 67.2 | 124 Ų | 124 | 56% | 0.555 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -113.5 | 3.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | N2311 D2312 S2317 T2318 K2430 | N2311-A2314 PolarHBondContact O-N 2.7Å; D2312-A2314 PolarHBondContact O-N 2.81Å; A2314-S2317 PolarHBondContact O-OG 3.49Å; A2314-T2318 PolarHBondContact O-N 3.04Å; A2314-T2318 PolarHBondContact O-OG1 3.19Å; A2314-K2430 PolarHBondContact O-NZ 3.5Å |
| 2315 | L | 28.2 | Very low | 25.3 | Very low | 98.8 Ų | 98.8 | 126.1 Ų | 126.1 | 52% | 0.517 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -73.6 | -22.6 | -173.9 | -112.7 | 73 | 0 | 0 | 0 | 114.4 | T2308 E2313 S2317 T2318 Q2319 K2430 I2433 E2434 | T2308-L2315 HydrophobicContact CG2-CD2 4.36Å; E2313-L2315 VanDerWaalsContact C-N 3.32Å; L2315-S2317 VanDerWaalsContact C-N 3.29Å; L2315-S2317 PolarHBondContact O-N 2.89Å; L2315-S2317 VanDerWaalsContact O-N 3.12Å; L2315-S2317 PolarHBondContact O-OG 3.45Å; L2315-S2317 VanDerWaalsContact O-OG 3.06Å; L2315-T2318 WeakPolarHBondContact CA-OG1 3.29Å; L2315-T2318 CarbonylContact O-C 3.49Å; L2315-T2318 PolarHBondContact O-N 3.25Å; L2315-T2318 PolarHBondContact O-OG1 3.05Å; L2315-Q2319 WeakPolarHBondContact O-CB 3.25Å; L2315-Q2319 PolarHBondContact O-N 3.38Å; L2315-Q2319 VanDerWaalsContact O-N 3.07Å; L2315-K2430 HydrophobicContact CB-CB 3.77Å; L2315-K2430 HydrophobicContact CB-CD 4.45Å; L2315-K2430 HydrophobicContact CB-CG 4.39Å; L2315-K2430 HydrophobicContact CD2-CB 4.01Å; L2315-K2430 HydrophobicContact CD2-CG 4.38Å; L2315-K2430 WeakPolarHBondContact CD2-O 3.35Å; L2315-K2430 HydrophobicContact CG-CB 3.58Å; L2315-K2430 HydrophobicContact CG-CD 4.09Å; L2315-K2430 HydrophobicContact CG-CG 3.81Å; L2315-K2430 WeakPolarHBondContact O-CD 3.27Å; L2315-K2430 PolarHBondContact O-NZ 2.86Å; L2315-K2430 VanDerWaalsContact O-NZ 3.09Å; L2315-I2433 HydrophobicContact CD2-CB 4.22Å; L2315-E2434 VanDerWaalsContact CB-OE1 3.26Å; L2315-E2434 WeakPolarHBondContact CB-OE1 3.12Å; L2315-E2434 VanDerWaalsContact CB-OE2 3.27Å; L2315-E2434 WeakPolarHBondContact CB-OE2 3.25Å; L2315-E2434 WeakPolarHBondContact CD1-OE1 3.42Å; L2315-E2434 HydrophobicContact CD2-CB 4.45Å; L2315-E2434 HydrophobicContact CD2-CG 3.72Å; L2315-E2434 WeakPolarHBondContact CD2-OE1 3.44Å; L2315-E2434 WeakPolarHBondContact CD2-OE2 3.29Å; L2315-E2434 WeakPolarHBondContact CG-OE1 3.28Å |
| 2316 | D | 28.1 | Very low | 25.2 | Very low | 139.2 Ų | 139.2 | 123.9 Ų | 123.9 | 74% | 0.744 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -62.6 | -19.5 | 179.6 | -84 | -27.4 | 0 | 0 | 0 | 113.6 | T2318 Q2319 | D2316-T2318 PolarHBondContact O-N 3.15Å; D2316-Q2319 PolarHBondContact O-N 3.06Å |
| 2317 | S | 27 | Very low | 25.3 | Very low | 92.8 Ų | 92.8 | 119.6 Ų | 119.6 | 65% | 0.649 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -86 | -8.7 | -176.6 | 63.1 | 0 | 0 | 0 | 0 | 114.1 | A2314 L2315 Q2319 T2321 | A2314-S2317 PolarHBondContact O-OG 3.49Å; L2315-S2317 VanDerWaalsContact C-N 3.29Å; L2315-S2317 PolarHBondContact O-N 2.89Å; L2315-S2317 VanDerWaalsContact O-N 3.12Å; L2315-S2317 PolarHBondContact O-OG 3.45Å; L2315-S2317 VanDerWaalsContact O-OG 3.06Å; S2317-Q2319 PolarHBondContact O-N 2.94Å; S2317-T2321 PolarHBondContact O-N 2.78Å; S2317-T2321 PolarHBondContact O-OG1 3.21Å |
| 2318 | T | 25.5 | Very low | 25.3 | Very low | 81 Ų | 81 | 117 Ų | 117 | 50% | 0.497 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -86.5 | -4.7 | 177.9 | 39.4 | 0 | 0 | 0 | 0 | 113.3 | A2314 L2315 D2316 T2321 I2322 K2430 | A2314-T2318 PolarHBondContact O-N 3.04Å; A2314-T2318 PolarHBondContact O-OG1 3.19Å; L2315-T2318 WeakPolarHBondContact CA-OG1 3.29Å; L2315-T2318 CarbonylContact O-C 3.49Å; L2315-T2318 PolarHBondContact O-N 3.25Å; L2315-T2318 PolarHBondContact O-OG1 3.05Å; D2316-T2318 PolarHBondContact O-N 3.15Å; T2318-T2321 WeakPolarHBondContact CA-OG1 3.19Å; T2318-T2321 CarbonylContact O-C 3.52Å; T2318-T2321 PolarHBondContact O-N 3.12Å; T2318-T2321 PolarHBondContact O-OG1 3.05Å; T2318-I2322 WeakPolarHBondContact O-CA 3.42Å; T2318-I2322 WeakPolarHBondContact O-CB 3.27Å; T2318-I2322 WeakPolarHBondContact O-CD1 3.43Å; T2318-I2322 VanDerWaalsContact O-CG1 3.26Å; T2318-I2322 WeakPolarHBondContact O-CG1 3.27Å; T2318-I2322 PolarHBondContact O-N 3.22Å; T2318-K2430 WeakPolarHBondContact OG1-CD 3.16Å; T2318-K2430 WeakPolarHBondContact OG1-CE 3.24Å; T2318-K2430 PolarHBondContact OG1-NZ 3.42Å |
| 2319 | Q | 25 | Very low | 25.3 | Very low | 109.4 Ų | 109.4 | 116.8 Ų | 116.8 | 51% | 0.511 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -90.9 | -31.6 | 173.8 | -130.4 | 157.4 | -8.4 | 0 | 0 | 113.5 | L2315 D2316 S2317 T2321 I2322 N2323 N2428 D2431 | L2315-Q2319 WeakPolarHBondContact O-CB 3.25Å; L2315-Q2319 PolarHBondContact O-N 3.38Å; L2315-Q2319 VanDerWaalsContact O-N 3.07Å; D2316-Q2319 PolarHBondContact O-N 3.06Å; S2317-Q2319 PolarHBondContact O-N 2.94Å; Q2319-T2321 VanDerWaalsContact C-N 3.32Å; Q2319-T2321 PolarHBondContact O-N 3.13Å; Q2319-I2322 PolarHBondContact O-N 3.32Å; Q2319-I2322 VanDerWaalsContact O-N 3.11Å; Q2319-N2323 WeakPolarHBondContact O-CB 3.49Å; Q2319-N2323 PolarHBondContact O-N 3.28Å; Q2319-N2323 VanDerWaalsContact O-N 3.1Å; Q2319-N2323 PolarHBondContact O-ND2 3.03Å; Q2319-N2323 VanDerWaalsContact O-ND2 3.15Å; Q2319-N2428 PolarHBondContact OE1-O 3.33Å; Q2319-D2431 PolarHBondContact NE2-OD1 3.3Å; Q2319-D2431 PolarHBondContact NE2-OD2 3.22Å; Q2319-D2431 PolarHBondContact OE1-OD1 2.85Å |
| 2320 | D | 24.5 | Very low | 25.3 | Very low | 130.4 Ų | 130.4 | 113.8 Ų | 113.8 | 70% | 0.697 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -85.7 | -14.2 | 177.7 | -89.1 | -22 | 0 | 0 | 0 | 113.8 | I2322 N2323 S2324 | D2320-I2322 PolarHBondContact O-N 3.05Å; D2320-N2323 PolarHBondContact O-N 3.01Å; D2320-S2324 WeakPolarHBondContact O-CB 3.28Å; D2320-S2324 PolarHBondContact O-N 2.94Å; D2320-S2324 VanDerWaalsContact O-N 3.1Å; D2320-S2324 PolarHBondContact O-OG 2.76Å |
| 2321 | T | 24.4 | Very low | 25.4 | Very low | 94.4 Ų | 94.4 | 109.7 Ų | 109.7 | 58% | 0.579 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -91.1 | -5.2 | 171.5 | -0.3 | 0 | 0 | 0 | 0 | 113.7 | S2317 T2318 Q2319 S2324 N2325 | S2317-T2321 PolarHBondContact O-N 2.78Å; S2317-T2321 PolarHBondContact O-OG1 3.21Å; T2318-T2321 WeakPolarHBondContact CA-OG1 3.19Å; T2318-T2321 CarbonylContact O-C 3.52Å; T2318-T2321 PolarHBondContact O-N 3.12Å; T2318-T2321 PolarHBondContact O-OG1 3.05Å; Q2319-T2321 VanDerWaalsContact C-N 3.32Å; Q2319-T2321 PolarHBondContact O-N 3.13Å; T2321-S2324 WeakPolarHBondContact CA-OG 3.45Å; T2321-S2324 PolarHBondContact O-N 2.84Å; T2321-S2324 PolarHBondContact O-OG 3.22Å; T2321-N2325 WeakPolarHBondContact O-CB 3.47Å; T2321-N2325 VanDerWaalsContact O-CG 3.27Å; T2321-N2325 PolarHBondContact O-N 3.42Å; T2321-N2325 PolarHBondContact O-ND2 3.3Å |
| 2322 | I | 24.6 | Very low | 25.3 | Very low | 118.8 Ų | 118.8 | 109.5 Ų | 109.5 | 61% | 0.609 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -92.6 | -15.7 | 172.2 | -65.2 | 172.9 | 0 | 0 | 0 | 110.2 | T2318 Q2319 D2320 S2324 N2325 V2326 | T2318-I2322 WeakPolarHBondContact O-CA 3.42Å; T2318-I2322 WeakPolarHBondContact O-CB 3.27Å; T2318-I2322 WeakPolarHBondContact O-CD1 3.43Å; T2318-I2322 VanDerWaalsContact O-CG1 3.26Å; T2318-I2322 WeakPolarHBondContact O-CG1 3.27Å; T2318-I2322 PolarHBondContact O-N 3.22Å; Q2319-I2322 PolarHBondContact O-N 3.32Å; Q2319-I2322 VanDerWaalsContact O-N 3.11Å; D2320-I2322 PolarHBondContact O-N 3.05Å; I2322-S2324 VanDerWaalsContact C-N 3.28Å; I2322-S2324 PolarHBondContact O-N 3.31Å; I2322-N2325 PolarHBondContact O-N 3.03Å; I2322-V2326 HydrophobicContact CG2-CG2 4.03Å; I2322-V2326 WeakPolarHBondContact O-CB 3.41Å; I2322-V2326 VanDerWaalsContact O-CG2 3.31Å; I2322-V2326 WeakPolarHBondContact O-CG2 3.36Å; I2322-V2326 PolarHBondContact O-N 3.08Å; I2322-V2326 VanDerWaalsContact O-N 3.14Å |
| 2323 | N | 25 | Very low | 25.2 | Very low | 94.6 Ų | 94.6 | 109.4 Ų | 109.4 | 51% | 0.506 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.5 | -6 | 164 | -78.3 | -28 | 0 | 0 | 0 | 113.4 | Q2319 D2320 N2325 V2326 I2327 | Q2319-N2323 WeakPolarHBondContact O-CB 3.49Å; Q2319-N2323 PolarHBondContact O-N 3.28Å; Q2319-N2323 VanDerWaalsContact O-N 3.1Å; Q2319-N2323 PolarHBondContact O-ND2 3.03Å; Q2319-N2323 VanDerWaalsContact O-ND2 3.15Å; D2320-N2323 PolarHBondContact O-N 3.01Å; N2323-N2325 PolarHBondContact O-N 3.27Å; N2323-V2326 PolarHBondContact O-N 2.81Å; N2323-I2327 VanDerWaalsContact O-CB 3.27Å; N2323-I2327 WeakPolarHBondContact O-CB 3.39Å; N2323-I2327 WeakPolarHBondContact O-CD1 3.41Å; N2323-I2327 VanDerWaalsContact O-CG1 3.3Å; N2323-I2327 WeakPolarHBondContact O-CG1 3.38Å; N2323-I2327 PolarHBondContact O-N 3.02Å; N2323-I2327 VanDerWaalsContact O-N 3.14Å |
| 2324 | S | 24.1 | Very low | 25 | Very low | 81.4 Ų | 81.4 | 108.1 Ų | 108.1 | 57% | 0.569 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -76.8 | -7.8 | 175.7 | 56 | 0 | 0 | 0 | 0 | 113.1 | D2320 T2321 I2322 V2326 I2327 F2328 | D2320-S2324 WeakPolarHBondContact O-CB 3.28Å; D2320-S2324 PolarHBondContact O-N 2.94Å; D2320-S2324 VanDerWaalsContact O-N 3.1Å; D2320-S2324 PolarHBondContact O-OG 2.76Å; T2321-S2324 WeakPolarHBondContact CA-OG 3.45Å; T2321-S2324 PolarHBondContact O-N 2.84Å; T2321-S2324 PolarHBondContact O-OG 3.22Å; I2322-S2324 VanDerWaalsContact C-N 3.28Å; I2322-S2324 PolarHBondContact O-N 3.31Å; S2324-V2326 PolarHBondContact O-N 3.04Å; S2324-I2327 PolarHBondContact O-N 3.08Å; S2324-F2328 WeakPolarHBondContact O-CB 3.48Å; S2324-F2328 PolarHBondContact O-N 3.28Å |
| 2325 | N | 24.1 | Very low | 24.8 | Very low | 114 Ų | 114 | 110.5 Ų | 110.5 | 61% | 0.61 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -83.7 | -11.6 | -176.6 | -90.9 | -23.9 | 0 | 0 | 0 | 114 | T2321 I2322 N2323 F2328 N2329 | T2321-N2325 WeakPolarHBondContact O-CB 3.47Å; T2321-N2325 VanDerWaalsContact O-CG 3.27Å; T2321-N2325 PolarHBondContact O-N 3.42Å; T2321-N2325 PolarHBondContact O-ND2 3.3Å; I2322-N2325 PolarHBondContact O-N 3.03Å; N2323-N2325 PolarHBondContact O-N 3.27Å; N2325-F2328 PolarHBondContact O-N 3.35Å; N2325-N2329 VanDerWaalsContact O-CB 3.32Å; N2325-N2329 WeakPolarHBondContact O-CB 3.47Å; N2325-N2329 PolarHBondContact O-N 3.16Å; N2325-N2329 PolarHBondContact O-ND2 2.76Å |
| 2326 | V | 25 | Very low | 24.5 | Very low | 94.8 Ų | 94.8 | 113.8 Ų | 113.8 | 58% | 0.575 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -89.3 | -22.4 | -178.9 | -179.8 | 0 | 0 | 0 | 0 | 112.4 | I2322 N2323 S2324 F2328 N2329 V2330 | I2322-V2326 HydrophobicContact CG2-CG2 4.03Å; I2322-V2326 WeakPolarHBondContact O-CB 3.41Å; I2322-V2326 VanDerWaalsContact O-CG2 3.31Å; I2322-V2326 WeakPolarHBondContact O-CG2 3.36Å; I2322-V2326 PolarHBondContact O-N 3.08Å; I2322-V2326 VanDerWaalsContact O-N 3.14Å; N2323-V2326 PolarHBondContact O-N 2.81Å; S2324-V2326 PolarHBondContact O-N 3.04Å; V2326-F2328 VanDerWaalsContact C-N 3.31Å; V2326-F2328 PolarHBondContact O-N 2.97Å; V2326-N2329 PolarHBondContact O-N 3.49Å; V2326-V2330 HydrophobicContact CG1-CG2 4.21Å; V2326-V2330 VanDerWaalsContact O-CB 3.29Å; V2326-V2330 WeakPolarHBondContact O-CB 3.44Å; V2326-V2330 VanDerWaalsContact O-CG2 3.25Å; V2326-V2330 WeakPolarHBondContact O-CG2 3.21Å; V2326-V2330 PolarHBondContact O-N 3.04Å; V2326-V2330 VanDerWaalsContact O-N 3.13Å |
| 2327 | I | 24.3 | Very low | 24.2 | Very low | 107.6 Ų | 107.6 | 112.2 Ų | 112.2 | 55% | 0.552 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -80.7 | -24 | 174 | -66.6 | 171.4 | 0 | 0 | 0 | 110.5 | E2206 N2323 S2324 N2329 V2330 V2331 | E2206-I2327 HydrophobicContact CB-CD1 4.47Å; E2206-I2327 HydrophobicContact CG-CD1 4.33Å; E2206-I2327 HydrophobicContact CG-CG2 4.41Å; E2206-I2327 WeakPolarHBondContact OE2-CG2 3.29Å; N2323-I2327 VanDerWaalsContact O-CB 3.27Å; N2323-I2327 WeakPolarHBondContact O-CB 3.39Å; N2323-I2327 WeakPolarHBondContact O-CD1 3.41Å; N2323-I2327 VanDerWaalsContact O-CG1 3.3Å; N2323-I2327 WeakPolarHBondContact O-CG1 3.38Å; N2323-I2327 PolarHBondContact O-N 3.02Å; N2323-I2327 VanDerWaalsContact O-N 3.14Å; S2324-I2327 PolarHBondContact O-N 3.08Å; I2327-N2329 PolarHBondContact O-N 3.49Å; I2327-V2330 VanDerWaalsContact O-CB 3.27Å; I2327-V2330 WeakPolarHBondContact O-CB 3.29Å; I2327-V2330 PolarHBondContact O-N 3.04Å; I2327-V2331 HydrophobicContact CG2-CG2 4.16Å; I2327-V2331 WeakPolarHBondContact O-CB 3.49Å; I2327-V2331 WeakPolarHBondContact O-CG2 3.3Å; I2327-V2331 PolarHBondContact O-N 3.08Å; I2327-V2331 VanDerWaalsContact O-N 3.16Å |
| 2328 | F | 23.7 | Very low | 24 | Very low | 115.8 Ų | 115.8 | 113 Ų | 113 | 51% | 0.508 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.9 | -8.7 | 165.2 | -131.6 | -91.4 | 0 | 0 | 0 | 112.5 | E2296 S2324 N2325 V2326 V2330 V2331 E2332 | E2296-F2328 VanDerWaalsContact CD-CD2 3.46Å; E2296-F2328 VanDerWaalsContact CD-CZ 3.41Å; E2296-F2328 HydrophobicContact CG-CD2 3.62Å; E2296-F2328 HydrophobicContact CG-CE2 3.59Å; E2296-F2328 HydrophobicContact CG-CG 4.29Å; E2296-F2328 HydrophobicContact CG-CZ 4.23Å; E2296-F2328 WeakPolarHBondContact OE1-CD1 3.22Å; E2296-F2328 WeakPolarHBondContact OE1-CG 3.05Å; E2296-F2328 WeakPolarHBondContact OE2-CE2 3.43Å; E2296-F2328 WeakPolarHBondContact OE2-CZ 3.33Å; S2324-F2328 WeakPolarHBondContact O-CB 3.48Å; S2324-F2328 PolarHBondContact O-N 3.28Å; N2325-F2328 PolarHBondContact O-N 3.35Å; V2326-F2328 VanDerWaalsContact C-N 3.31Å; V2326-F2328 PolarHBondContact O-N 2.97Å; F2328-V2330 VanDerWaalsContact C-N 3.34Å; F2328-V2330 PolarHBondContact O-N 3.28Å; F2328-V2331 PolarHBondContact O-N 3.05Å; F2328-E2332 VanDerWaalsContact O-CB 3.27Å; F2328-E2332 WeakPolarHBondContact O-CB 3.21Å; F2328-E2332 PolarHBondContact O-N 3.39Å |
| 2329 | N | 23.5 | Very low | 23.9 | Very low | 115.2 Ų | 115.2 | 112.9 Ų | 112.9 | 62% | 0.616 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.7 | -2.9 | 164.4 | -84.2 | -32 | 0 | 0 | 0 | 115.8 | N2325 V2326 I2327 N2333 | N2325-N2329 VanDerWaalsContact O-CB 3.32Å; N2325-N2329 WeakPolarHBondContact O-CB 3.47Å; N2325-N2329 PolarHBondContact O-N 3.16Å; N2325-N2329 PolarHBondContact O-ND2 2.76Å; V2326-N2329 PolarHBondContact O-N 3.49Å; I2327-N2329 PolarHBondContact O-N 3.49Å; N2329-N2333 WeakPolarHBondContact O-CB 3.31Å; N2329-N2333 PolarHBondContact O-N 3.07Å; N2329-N2333 VanDerWaalsContact O-N 3.14Å; N2329-N2333 PolarHBondContact O-ND2 3.2Å; N2329-N2333 VanDerWaalsContact O-ND2 3.13Å; N2329-N2333 PolarHBondContact OD1-ND2 3.27Å |
| 2330 | V | 25.4 | Very low | 23.7 | Very low | 89.6 Ų | 89.6 | 117.1 Ų | 117.1 | 54% | 0.543 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -93.3 | -11.8 | 172.1 | 174.4 | 0 | 0 | 0 | 0 | 112 | V2326 I2327 F2328 K2334 M2343 | V2326-V2330 HydrophobicContact CG1-CG2 4.21Å; V2326-V2330 VanDerWaalsContact O-CB 3.29Å; V2326-V2330 WeakPolarHBondContact O-CB 3.44Å; V2326-V2330 VanDerWaalsContact O-CG2 3.25Å; V2326-V2330 WeakPolarHBondContact O-CG2 3.21Å; V2326-V2330 PolarHBondContact O-N 3.04Å; V2326-V2330 VanDerWaalsContact O-N 3.13Å; I2327-V2330 VanDerWaalsContact O-CB 3.27Å; I2327-V2330 WeakPolarHBondContact O-CB 3.29Å; I2327-V2330 PolarHBondContact O-N 3.04Å; F2328-V2330 VanDerWaalsContact C-N 3.34Å; F2328-V2330 PolarHBondContact O-N 3.28Å; V2330-K2334 HydrophobicContact CG1-CB 4.49Å; V2330-K2334 HydrophobicContact CG1-CD 4.43Å; V2330-K2334 WeakPolarHBondContact O-CB 3.4Å; V2330-K2334 PolarHBondContact O-N 3.46Å; V2330-M2343 HydrophobicContact CB-CE 4.07Å; V2330-M2343 HydrophobicContact CB-SD 3.91Å; V2330-M2343 HydrophobicContact CG1-CE 3.8Å; V2330-M2343 HydrophobicContact CG1-SD 3.3Å; V2330-M2343 WeakPolarHBondContact CG1-SD 3.23Å; V2330-M2343 HydrophobicContact CG2-CE 3.67Å; V2330-M2343 HydrophobicContact CG2-SD 3.43Å; V2330-M2343 WeakPolarHBondContact CG2-SD 3.36Å |
| 2331 | V | 25.5 | Very low | 23.6 | Very low | 81.6 Ų | 81.6 | 115.6 Ų | 115.6 | 50% | 0.495 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -84.6 | -1.6 | 173.2 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | K2289 I2327 F2328 N2333 M2335 | K2289-V2331 PolarHBondContact NZ-O 3.43Å; I2327-V2331 HydrophobicContact CG2-CG2 4.16Å; I2327-V2331 WeakPolarHBondContact O-CB 3.49Å; I2327-V2331 WeakPolarHBondContact O-CG2 3.3Å; I2327-V2331 PolarHBondContact O-N 3.08Å; I2327-V2331 VanDerWaalsContact O-N 3.16Å; F2328-V2331 PolarHBondContact O-N 3.05Å; V2331-N2333 PolarHBondContact O-N 2.84Å; V2331-M2335 HydrophobicContact CG1-CB 4.33Å; V2331-M2335 HydrophobicContact CG1-CG 4.34Å; V2331-M2335 HydrophobicContact CG1-SD 3.88Å; V2331-M2335 CarbonylContact O-C 3.1Å; V2331-M2335 VanDerWaalsContact O-CA 3.28Å; V2331-M2335 WeakPolarHBondContact O-CA 3.28Å; V2331-M2335 VanDerWaalsContact O-CB 3.28Å; V2331-M2335 WeakPolarHBondContact O-CB 3.33Å; V2331-M2335 PolarHBondContact O-N 2.91Å; V2331-M2335 VanDerWaalsContact O-O 3.09Å |
| 2332 | E | 23.9 | Very low | 23.4 | Very low | 140.4 Ų | 140.4 | 114.3 Ų | 114.3 | 66% | 0.656 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -31.6 | 1.3 | 162.2 | -124.3 | -178.5 | -178.5 | 0 | 0 | 114.5 | F2328 K2334 | F2328-E2332 VanDerWaalsContact O-CB 3.27Å; F2328-E2332 WeakPolarHBondContact O-CB 3.21Å; F2328-E2332 PolarHBondContact O-N 3.39Å; E2332-K2334 PolarHBondContact O-N 2.83Å |
| 2333 | N | 23.4 | Very low | 23.3 | Very low | 135.4 Ų | 135.4 | 114.1 Ų | 114.1 | 72% | 0.724 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -56.6 | 31.3 | 167.3 | -70.6 | -49.6 | 0 | 0 | 0 | 116.7 | N2329 V2331 M2335 | N2329-N2333 WeakPolarHBondContact O-CB 3.31Å; N2329-N2333 PolarHBondContact O-N 3.07Å; N2329-N2333 VanDerWaalsContact O-N 3.14Å; N2329-N2333 PolarHBondContact O-ND2 3.2Å; N2329-N2333 VanDerWaalsContact O-ND2 3.13Å; N2329-N2333 PolarHBondContact OD1-ND2 3.27Å; V2331-N2333 PolarHBondContact O-N 2.84Å; N2333-M2335 PolarHBondContact O-N 3.06Å |
| 2334 | K | 22.6 | Very low | 23.1 | Very low | 166.8 Ų | 166.8 | 114.2 Ų | 114.2 | 73% | 0.725 | 61% | 0.609 | S | S | * | * | trans | -103.6 | 58.1 | 179.4 | -69 | -174.7 | 179.1 | 176.3 | 0 | 113.2 | V2330 E2332 K2336 | V2330-K2334 HydrophobicContact CG1-CB 4.49Å; V2330-K2334 HydrophobicContact CG1-CD 4.43Å; V2330-K2334 WeakPolarHBondContact O-CB 3.4Å; V2330-K2334 PolarHBondContact O-N 3.46Å; E2332-K2334 PolarHBondContact O-N 2.83Å; K2334-K2336 VanDerWaalsContact C-N 3.31Å; K2334-K2336 PolarHBondContact O-N 3.14Å | ||
| 2335 | M | 23.1 | Very low | 23 | Very low | 119.2 Ų | 119.2 | 118.2 Ų | 118.2 | 59% | 0.587 | 61% | 0.613 | S | S | * | * | trans | -90.3 | 109 | 163.3 | -75.4 | -167.7 | 166.2 | 0 | 0 | 112.1 | I2167 V2331 N2333 P2337 T2339 W2340 M2343 | I2167-M2335 HydrophobicContact CD1-CE 3.46Å; I2167-M2335 VanDerWaalsContact CD1-CE 3.46Å; V2331-M2335 HydrophobicContact CG1-CB 4.33Å; V2331-M2335 HydrophobicContact CG1-CG 4.34Å; V2331-M2335 HydrophobicContact CG1-SD 3.88Å; V2331-M2335 CarbonylContact O-C 3.1Å; V2331-M2335 VanDerWaalsContact O-CA 3.28Å; V2331-M2335 WeakPolarHBondContact O-CA 3.28Å; V2331-M2335 VanDerWaalsContact O-CB 3.28Å; V2331-M2335 WeakPolarHBondContact O-CB 3.33Å; V2331-M2335 PolarHBondContact O-N 2.91Å; V2331-M2335 VanDerWaalsContact O-O 3.09Å; N2333-M2335 PolarHBondContact O-N 3.06Å; M2335-P2337 WeakPolarHBondContact O-CD 3.26Å; M2335-P2337 VanDerWaalsContact O-N 3.1Å; M2335-T2339 HydrophobicContact CG-CG2 4.41Å; M2335-W2340 HydrophobicContact SD-CG 4.35Å; M2335-M2343 HydrophobicContact CE-CB 4.16Å; M2335-M2343 HydrophobicContact CE-CE 3.73Å; M2335-M2343 HydrophobicContact CE-CG 4.12Å; M2335-M2343 HydrophobicContact CE-SD 3.3Å; M2335-M2343 WeakPolarHBondContact CE-SD 3.39Å; M2335-M2343 HydrophobicContact CG-CE 4.04Å | ||
| 2336 | K | 22.2 | Very low | 22.9 | Very low | 168.4 Ų | 168.4 | 122.2 Ų | 122.2 | 73% | 0.732 | 62% | 0.619 | S | S | * | * | trans | -63.1 | 145 | 162.5 | -64.7 | 178.7 | 178.1 | 177.4 | 0 | 108.7 | K2334 T2338 T2339 W2340 | K2334-K2336 VanDerWaalsContact C-N 3.31Å; K2334-K2336 PolarHBondContact O-N 3.14Å; K2336-T2338 VanDerWaalsContact C-N 3.28Å; K2336-T2338 PolarHBondContact O-N 3.08Å; K2336-T2338 VanDerWaalsContact O-N 3.15Å; K2336-T2339 PolarHBondContact N-OG1 2.9Å; K2336-T2339 VanDerWaalsContact N-OG1 3.1Å; K2336-T2339 CarbonylContact O-C 3.59Å; K2336-T2339 WeakPolarHBondContact O-CA 3.32Å; K2336-T2339 VanDerWaalsContact O-CB 3.27Å; K2336-T2339 WeakPolarHBondContact O-CB 3.36Å; K2336-T2339 PolarHBondContact O-N 3.36Å; K2336-T2339 PolarHBondContact O-OG1 3.34Å; K2336-W2340 PolarHBondContact O-N 2.84Å | ||
| 2337 | P | 22.4 | Very low | 22.8 | Very low | 104.2 Ų | 104.2 | 124.4 Ų | 124.4 | 68% | 0.677 | 63% | 0.628 | S | S | * | * | trans | -78.3 | 38.7 | -172.7 | 0.4 | 11 | 0 | 0 | 0 | 112.2 | M2335 T2339 W2340 V2341 | M2335-P2337 WeakPolarHBondContact O-CD 3.26Å; M2335-P2337 VanDerWaalsContact O-N 3.1Å; P2337-T2339 PolarHBondContact O-N 3.36Å; P2337-T2339 VanDerWaalsContact O-N 3.11Å; P2337-W2340 VanDerWaalsContact O-CB 3.24Å; P2337-W2340 WeakPolarHBondContact O-CB 3.32Å; P2337-W2340 PolarHBondContact O-N 3.17Å; P2337-V2341 HydrophobicContact CB-CG2 4.26Å; P2337-V2341 WeakPolarHBondContact O-CG2 3.49Å; P2337-V2341 PolarHBondContact O-N 3.09Å; P2337-V2341 VanDerWaalsContact O-N 3.15Å | ||
| 2338 | T | 22.5 | Very low | 22.7 | Very low | 109.6 Ų | 109.6 | 127.8 Ų | 127.8 | 67% | 0.672 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.1 | 23.5 | 165.4 | 44.3 | 0 | 0 | 0 | 0 | 114 | K2336 W2340 A2342 | K2336-T2338 VanDerWaalsContact C-N 3.28Å; K2336-T2338 PolarHBondContact O-N 3.08Å; K2336-T2338 VanDerWaalsContact O-N 3.15Å; T2338-W2340 PolarHBondContact O-N 3.35Å; T2338-A2342 WeakPolarHBondContact O-CB 3.22Å; T2338-A2342 PolarHBondContact O-N 3.4Å |
| 2339 | T | 22.5 | Very low | 22.7 | Very low | 79 Ų | 79 | 126.5 Ų | 126.5 | 49% | 0.485 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -72 | -0 | 173.7 | -27.9 | 0 | 0 | 0 | 0 | 115.4 | Y2198 M2335 K2336 P2337 V2341 A2342 M2343 | Y2198-T2339 HydrophobicContact CE2-CG2 3.83Å; M2335-T2339 HydrophobicContact CG-CG2 4.41Å; K2336-T2339 PolarHBondContact N-OG1 2.9Å; K2336-T2339 VanDerWaalsContact N-OG1 3.1Å; K2336-T2339 CarbonylContact O-C 3.59Å; K2336-T2339 WeakPolarHBondContact O-CA 3.32Å; K2336-T2339 VanDerWaalsContact O-CB 3.27Å; K2336-T2339 WeakPolarHBondContact O-CB 3.36Å; K2336-T2339 PolarHBondContact O-N 3.36Å; K2336-T2339 PolarHBondContact O-OG1 3.34Å; P2337-T2339 PolarHBondContact O-N 3.36Å; P2337-T2339 VanDerWaalsContact O-N 3.11Å; T2339-V2341 PolarHBondContact O-N 2.9Å; T2339-A2342 HydrophobicContact CG2-CB 4.33Å; T2339-A2342 CarbonylContact O-C 2.97Å; T2339-A2342 PolarHBondContact O-N 3.21Å; T2339-M2343 HydrophobicContact CG2-CE 3.53Å; T2339-M2343 HydrophobicContact CG2-CG 4.45Å; T2339-M2343 WeakPolarHBondContact O-CG 3.35Å; T2339-M2343 PolarHBondContact O-N 3.35Å |
| 2340 | W | 22 | Very low | 22.6 | Very low | 197 Ų | 197 | 126.8 Ų | 126.8 | 75% | 0.746 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -90.5 | -31.4 | 164.8 | -102.6 | 72 | 0 | 0 | 0 | 112.5 | L2199 M2335 K2336 P2337 T2338 A2342 M2343 T2344 | L2199-W2340 HydrophobicContact CB-CH2 4.5Å; L2199-W2340 HydrophobicContact CB-CZ2 4Å; L2199-W2340 HydrophobicContact CD1-CH2 4.28Å; L2199-W2340 HydrophobicContact CD1-CZ2 4.11Å; L2199-W2340 HydrophobicContact CD2-CZ2 3.82Å; L2199-W2340 HydrophobicContact CG-CZ2 4.2Å; M2335-W2340 HydrophobicContact SD-CG 4.35Å; K2336-W2340 PolarHBondContact O-N 2.84Å; P2337-W2340 VanDerWaalsContact O-CB 3.24Å; P2337-W2340 WeakPolarHBondContact O-CB 3.32Å; P2337-W2340 PolarHBondContact O-N 3.17Å; T2338-W2340 PolarHBondContact O-N 3.35Å; W2340-A2342 VanDerWaalsContact C-N 3.32Å; W2340-A2342 PolarHBondContact O-N 2.95Å; W2340-M2343 PolarHBondContact O-N 3.35Å; W2340-T2344 HydrophobicContact CE3-CG2 4.47Å; W2340-T2344 PolarHBondContact O-N 3.22Å; W2340-T2344 VanDerWaalsContact O-N 3.15Å; W2340-T2344 PolarHBondContact O-OG1 3.4Å |
| 2341 | V | 21.7 | Very low | 22.5 | Very low | 99.6 Ų | 99.6 | 129.8 Ų | 129.8 | 60% | 0.604 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -56.9 | -23.8 | 170.2 | -179.7 | 0 | 0 | 0 | 0 | 113.5 | P2337 T2339 M2343 T2344 Y2345 | P2337-V2341 HydrophobicContact CB-CG2 4.26Å; P2337-V2341 WeakPolarHBondContact O-CG2 3.49Å; P2337-V2341 PolarHBondContact O-N 3.09Å; P2337-V2341 VanDerWaalsContact O-N 3.15Å; T2339-V2341 PolarHBondContact O-N 2.9Å; V2341-M2343 VanDerWaalsContact C-N 3.3Å; V2341-M2343 PolarHBondContact O-N 2.82Å; V2341-M2343 VanDerWaalsContact O-N 3.15Å; V2341-T2344 PolarHBondContact O-N 2.87Å; V2341-T2344 PolarHBondContact O-OG1 3.36Å; V2341-T2344 VanDerWaalsContact O-OG1 3.13Å; V2341-Y2345 HydrophobicContact CG1-CD2 4.19Å; V2341-Y2345 HydrophobicContact CG1-CE2 4.27Å; V2341-Y2345 WeakPolarHBondContact O-CB 3.49Å; V2341-Y2345 WeakPolarHBondContact O-CD2 3.46Å; V2341-Y2345 PolarHBondContact O-N 3.33Å; V2341-Y2345 VanDerWaalsContact O-N 3.09Å |
| 2342 | A | 20.7 | Very low | 22.3 | Very low | 67.4 Ų | 67.4 | 128.6 Ų | 128.6 | 56% | 0.557 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -93.3 | -14.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115 | T2338 T2339 W2340 Y2345 R2346 | T2338-A2342 WeakPolarHBondContact O-CB 3.22Å; T2338-A2342 PolarHBondContact O-N 3.4Å; T2339-A2342 HydrophobicContact CG2-CB 4.33Å; T2339-A2342 CarbonylContact O-C 2.97Å; T2339-A2342 PolarHBondContact O-N 3.21Å; W2340-A2342 VanDerWaalsContact C-N 3.32Å; W2340-A2342 PolarHBondContact O-N 2.95Å; A2342-Y2345 WeakPolarHBondContact O-CB 3.33Å; A2342-R2346 WeakPolarHBondContact O-CG 3.48Å; A2342-R2346 PolarHBondContact O-N 2.83Å; A2342-R2346 VanDerWaalsContact O-N 3.16Å |
| 2343 | M | 21.3 | Very low | 22.3 | Very low | 115.2 Ų | 115.2 | 126.9 Ų | 126.9 | 57% | 0.567 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -84.4 | -23.1 | 173.8 | -73.7 | -125.1 | -101 | 0 | 0 | 115.2 | V2201 V2330 M2335 T2339 W2340 V2341 Y2345 R2346 N2347 | V2201-M2343 HydrophobicContact CB-CE 3.97Å; V2201-M2343 HydrophobicContact CG1-CE 3.48Å; V2201-M2343 VanDerWaalsContact CG1-CE 3.48Å; V2330-M2343 HydrophobicContact CB-CE 4.07Å; V2330-M2343 HydrophobicContact CB-SD 3.91Å; V2330-M2343 HydrophobicContact CG1-CE 3.8Å; V2330-M2343 HydrophobicContact CG1-SD 3.3Å; V2330-M2343 WeakPolarHBondContact CG1-SD 3.23Å; V2330-M2343 HydrophobicContact CG2-CE 3.67Å; V2330-M2343 HydrophobicContact CG2-SD 3.43Å; V2330-M2343 WeakPolarHBondContact CG2-SD 3.36Å; M2335-M2343 HydrophobicContact CE-CB 4.16Å; M2335-M2343 HydrophobicContact CE-CE 3.73Å; M2335-M2343 HydrophobicContact CE-CG 4.12Å; M2335-M2343 HydrophobicContact CE-SD 3.3Å; M2335-M2343 WeakPolarHBondContact CE-SD 3.39Å; M2335-M2343 HydrophobicContact CG-CE 4.04Å; T2339-M2343 HydrophobicContact CG2-CE 3.53Å; T2339-M2343 HydrophobicContact CG2-CG 4.45Å; T2339-M2343 WeakPolarHBondContact O-CG 3.35Å; T2339-M2343 PolarHBondContact O-N 3.35Å; W2340-M2343 PolarHBondContact O-N 3.35Å; V2341-M2343 VanDerWaalsContact C-N 3.3Å; V2341-M2343 PolarHBondContact O-N 2.82Å; V2341-M2343 VanDerWaalsContact O-N 3.15Å; M2343-Y2345 VanDerWaalsContact C-N 3.32Å; M2343-Y2345 PolarHBondContact O-N 3.39Å; M2343-R2346 PolarHBondContact O-N 3.32Å; M2343-R2346 VanDerWaalsContact O-N 3.1Å; M2343-N2347 PolarHBondContact O-N 3.32Å |
| 2344 | T | 22.2 | Very low | 22.2 | Very low | 96.4 Ų | 96.4 | 125.9 Ų | 125.9 | 59% | 0.591 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -91.5 | -21.6 | 174.6 | 33.2 | 0 | 0 | 0 | 0 | 113.7 | W2340 V2341 R2346 | W2340-T2344 HydrophobicContact CE3-CG2 4.47Å; W2340-T2344 PolarHBondContact O-N 3.22Å; W2340-T2344 VanDerWaalsContact O-N 3.15Å; W2340-T2344 PolarHBondContact O-OG1 3.4Å; V2341-T2344 PolarHBondContact O-N 2.87Å; V2341-T2344 PolarHBondContact O-OG1 3.36Å; V2341-T2344 VanDerWaalsContact O-OG1 3.13Å; T2344-R2346 VanDerWaalsContact C-N 3.32Å; T2344-R2346 PolarHBondContact O-N 3.01Å |
| 2345 | Y | 21.9 | Very low | 22.3 | Very low | 165.6 Ų | 165.6 | 123.2 Ų | 123.2 | 65% | 0.649 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -86.9 | 10.1 | 168.9 | -93.2 | -79.9 | 0 | 0 | 0 | 115.5 | S2125 H2126 P2129 V2341 A2342 M2343 N2347 K2348 S2349 | S2125-Y2345 WeakPolarHBondContact O-CE2 3.49Å; H2126-Y2345 VanDerWaalsContact CA-OH 3.3Å; H2126-Y2345 WeakPolarHBondContact CA-OH 3.39Å; H2126-Y2345 HydrophobicContact CB-CE1 4.13Å; H2126-Y2345 VanDerWaalsContact CB-OH 3.28Å; H2126-Y2345 WeakPolarHBondContact CB-OH 3.39Å; H2126-Y2345 AromaticContact CE1-CD1 3.9Å; H2126-Y2345 AromaticContact CE1-CE1 3.88Å; H2126-Y2345 AromaticContact CG-CE1 3.84Å; H2126-Y2345 AromaticContact CG-CZ 3.93Å; H2126-Y2345 AromaticContact ND1-CD1 3.46Å; H2126-Y2345 WeakPolarHBondContact ND1-CD1 3.43Å; H2126-Y2345 AromaticContact ND1-CE1 3.04Å; H2126-Y2345 WeakPolarHBondContact ND1-CE1 3.06Å; H2126-Y2345 AromaticContact ND1-CE2 3.91Å; H2126-Y2345 AromaticContact ND1-CZ 3.31Å; H2126-Y2345 VanDerWaalsContact ND1-CZ 3.31Å; P2129-Y2345 HydrophobicContact CG-CE2 3.75Å; P2129-Y2345 WeakPolarHBondContact CG-OH 3.19Å; V2341-Y2345 HydrophobicContact CG1-CD2 4.19Å; V2341-Y2345 HydrophobicContact CG1-CE2 4.27Å; V2341-Y2345 WeakPolarHBondContact O-CB 3.49Å; V2341-Y2345 WeakPolarHBondContact O-CD2 3.46Å; V2341-Y2345 PolarHBondContact O-N 3.33Å; V2341-Y2345 VanDerWaalsContact O-N 3.09Å; A2342-Y2345 WeakPolarHBondContact O-CB 3.33Å; M2343-Y2345 VanDerWaalsContact C-N 3.32Å; M2343-Y2345 PolarHBondContact O-N 3.39Å; Y2345-N2347 PolarHBondContact O-N 2.95Å; Y2345-K2348 CarbonylContact O-C 3.42Å; Y2345-K2348 PolarHBondContact O-N 3.17Å; Y2345-K2348 VanDerWaalsContact O-N 3.14Å; Y2345-S2349 PolarHBondContact O-N 3.29Å; Y2345-S2349 VanDerWaalsContact O-N 3.15Å; Y2345-S2349 PolarHBondContact O-OG 2.89Å |
| 2346 | R | 21.7 | Very low | 22.2 | Very low | 198.2 Ų | 198.2 | 125.1 Ų | 125.1 | 75% | 0.748 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -99.2 | 13.6 | -175.4 | -121.7 | 179 | -176.9 | 176.9 | 0.5 | 113.4 | A2342 M2343 T2344 K2348 S2349 L2350 | A2342-R2346 WeakPolarHBondContact O-CG 3.48Å; A2342-R2346 PolarHBondContact O-N 2.83Å; A2342-R2346 VanDerWaalsContact O-N 3.16Å; M2343-R2346 PolarHBondContact O-N 3.32Å; M2343-R2346 VanDerWaalsContact O-N 3.1Å; T2344-R2346 VanDerWaalsContact C-N 3.32Å; T2344-R2346 PolarHBondContact O-N 3.01Å; R2346-K2348 PolarHBondContact O-N 3.07Å; R2346-S2349 WeakPolarHBondContact CA-OG 3.38Å; R2346-S2349 PolarHBondContact O-N 2.72Å; R2346-L2350 HydrophobicContact CB-CD1 3.86Å; R2346-L2350 HydrophobicContact CG-CD1 4.12Å; R2346-L2350 VanDerWaalsContact O-CD1 3.32Å; R2346-L2350 WeakPolarHBondContact O-CD1 3.31Å; R2346-L2350 PolarHBondContact O-N 3.14Å; R2346-L2350 VanDerWaalsContact O-N 3.16Å |
| 2347 | N | 22.8 | Very low | 22.2 | Very low | 141 Ų | 141 | 125.2 Ų | 125.2 | 75% | 0.754 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 29.4 | 169.3 | -90.6 | -8.2 | 0 | 0 | 0 | 118.1 | M2343 Y2345 | M2343-N2347 PolarHBondContact O-N 3.32Å; Y2345-N2347 PolarHBondContact O-N 2.95Å |
| 2348 | K | 22.3 | Very low | 22.2 | Very low | 179.2 Ų | 179.2 | 125.2 Ų | 125.2 | 78% | 0.779 | 65% | 0.647 | S | S | * | * | trans | -135.5 | 98.2 | 155.9 | -71.3 | -171.4 | 178.3 | -176.1 | 0 | 113 | Y2345 R2346 L2350 | Y2345-K2348 CarbonylContact O-C 3.42Å; Y2345-K2348 PolarHBondContact O-N 3.17Å; Y2345-K2348 VanDerWaalsContact O-N 3.14Å; R2346-K2348 PolarHBondContact O-N 3.07Å; K2348-L2350 PolarHBondContact O-N 2.92Å; K2348-L2350 VanDerWaalsContact O-N 3.14Å | ||
| 2349 | S | 22.3 | Very low | 22.3 | Very low | 88.2 Ų | 88.2 | 124.2 Ų | 124.2 | 62% | 0.617 | 64% | 0.642 | S | S | * | * | trans | -111.4 | 91.9 | 157.8 | 57.5 | 0 | 0 | 0 | 0 | 113.8 | Y2345 R2346 H2351 G2352 V2353 | Y2345-S2349 PolarHBondContact O-N 3.29Å; Y2345-S2349 VanDerWaalsContact O-N 3.15Å; Y2345-S2349 PolarHBondContact O-OG 2.89Å; R2346-S2349 WeakPolarHBondContact CA-OG 3.38Å; R2346-S2349 PolarHBondContact O-N 2.72Å; S2349-H2351 PolarHBondContact O-N 2.89Å; S2349-G2352 PolarHBondContact O-N 3.48Å; S2349-V2353 WeakPolarHBondContact O-CB 3.28Å; S2349-V2353 WeakPolarHBondContact O-CG2 3.37Å; S2349-V2353 PolarHBondContact O-N 2.94Å | ||
| 2350 | L | 22.8 | Very low | 22.3 | Very low | 119.8 Ų | 119.8 | 125 Ų | 125 | 63% | 0.627 | 65% | 0.648 | S | S | * | * | trans | -86.6 | 28.3 | 169.5 | -99.1 | 133.6 | 0 | 0 | 0 | 114.8 | R2346 K2348 G2352 V2353 L2354 | R2346-L2350 HydrophobicContact CB-CD1 3.86Å; R2346-L2350 HydrophobicContact CG-CD1 4.12Å; R2346-L2350 VanDerWaalsContact O-CD1 3.32Å; R2346-L2350 WeakPolarHBondContact O-CD1 3.31Å; R2346-L2350 PolarHBondContact O-N 3.14Å; R2346-L2350 VanDerWaalsContact O-N 3.16Å; K2348-L2350 PolarHBondContact O-N 2.92Å; K2348-L2350 VanDerWaalsContact O-N 3.14Å; L2350-G2352 PolarHBondContact O-N 3.19Å; L2350-G2352 VanDerWaalsContact O-N 3.16Å; L2350-V2353 HydrophobicContact CD2-CB 4.26Å; L2350-V2353 HydrophobicContact CD2-CG2 4.07Å; L2350-V2353 PolarHBondContact O-N 3.29Å; L2350-L2354 HydrophobicContact CB-CD1 4.47Å; L2350-L2354 HydrophobicContact CD2-CD1 3.92Å; L2350-L2354 HydrophobicContact CG-CD1 4.22Å; L2350-L2354 PolarHBondContact O-N 3.43Å | ||
| 2351 | H | 23 | Very low | 22.2 | Very low | 153.6 Ų | 153.6 | 122.7 Ų | 122.7 | 71% | 0.711 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -54.4 | 15.9 | 168.2 | -81 | -57.9 | 0 | 0 | 0 | 115 | S2349 V2353 Q2429 | S2349-H2351 PolarHBondContact O-N 2.89Å; H2351-V2353 VanDerWaalsContact C-N 3.35Å; H2351-V2353 PolarHBondContact O-N 2.97Å; H2351-Q2429 PolarHBondContact ND1-NE2 3.4Å; H2351-Q2429 PolarHBondContact O-NE2 3.2Å |
| 2352 | G | 21.4 | Very low | 22.1 | Very low | 55.4 Ų | 55.4 | 125.3 Ų | 125.3 | 57% | 0.571 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -92.6 | -24.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S2349 L2350 N2355 | S2349-G2352 PolarHBondContact O-N 3.48Å; L2350-G2352 PolarHBondContact O-N 3.19Å; L2350-G2352 VanDerWaalsContact O-N 3.16Å; G2352-N2355 VanDerWaalsContact O-CB 3.27Å; G2352-N2355 WeakPolarHBondContact O-CB 2.95Å; G2352-N2355 PolarHBondContact O-N 2.81Å |
| 2353 | V | 23 | Very low | 22.1 | Very low | 105.4 Ų | 105.4 | 126.8 Ų | 126.8 | 64% | 0.639 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -91.3 | -15.9 | -178.1 | -171.5 | 0 | 0 | 0 | 0 | 112.5 | S2349 L2350 H2351 N2355 K2356 F2357 | S2349-V2353 WeakPolarHBondContact O-CB 3.28Å; S2349-V2353 WeakPolarHBondContact O-CG2 3.37Å; S2349-V2353 PolarHBondContact O-N 2.94Å; L2350-V2353 HydrophobicContact CD2-CB 4.26Å; L2350-V2353 HydrophobicContact CD2-CG2 4.07Å; L2350-V2353 PolarHBondContact O-N 3.29Å; H2351-V2353 VanDerWaalsContact C-N 3.35Å; H2351-V2353 PolarHBondContact O-N 2.97Å; V2353-N2355 VanDerWaalsContact C-N 3.31Å; V2353-N2355 PolarHBondContact O-N 3Å; V2353-K2356 HydrophobicContact CB-CG 4.48Å; V2353-K2356 HydrophobicContact CG1-CG 4.2Å; V2353-K2356 VanDerWaalsContact O-CB 3.26Å; V2353-K2356 WeakPolarHBondContact O-CB 3.34Å; V2353-K2356 WeakPolarHBondContact O-CG 3.47Å; V2353-K2356 PolarHBondContact O-N 3.3Å; V2353-F2357 HydrophobicContact CG1-CD2 4.07Å; V2353-F2357 HydrophobicContact CG1-CE2 3.85Å |
| 2354 | L | 22.8 | Very low | 22 | Very low | 114.4 Ų | 114.4 | 127.8 Ų | 127.8 | 60% | 0.599 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 4.4 | 177 | -77.8 | 163.4 | 0 | 0 | 0 | 114.8 | L2350 K2356 E2424 T2425 N2428 | L2350-L2354 HydrophobicContact CB-CD1 4.47Å; L2350-L2354 HydrophobicContact CD2-CD1 3.92Å; L2350-L2354 HydrophobicContact CG-CD1 4.22Å; L2350-L2354 PolarHBondContact O-N 3.43Å; L2354-K2356 PolarHBondContact O-N 3.12Å; L2354-E2424 CarbonylContact O-C 3.58Å; L2354-E2424 WeakPolarHBondContact O-CB 3.46Å; L2354-E2424 WeakPolarHBondContact O-CG 3.22Å; L2354-T2425 HydrophobicContact CB-CG2 3.7Å; L2354-T2425 PolarHBondContact O-N 3.07Å; L2354-N2428 PolarHBondContact O-ND2 3.22Å |
| 2355 | N | 23.1 | Very low | 21.9 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 59% | 0.594 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.9 | 18.1 | -176.1 | -92.9 | 2.8 | 0 | 0 | 0 | 113.2 | G2352 V2353 F2357 F2420 C2421 M2422 L2423 E2424 T2425 I2426 | G2352-N2355 VanDerWaalsContact O-CB 3.27Å; G2352-N2355 WeakPolarHBondContact O-CB 2.95Å; G2352-N2355 PolarHBondContact O-N 2.81Å; V2353-N2355 VanDerWaalsContact C-N 3.31Å; V2353-N2355 PolarHBondContact O-N 3Å; N2355-F2357 VanDerWaalsContact C-N 3.32Å; N2355-F2357 PolarHBondContact O-N 2.7Å; N2355-F2420 CarbonylContact O-C 3.57Å; N2355-C2421 CarbonylContact C-O 3.59Å; N2355-C2421 VanDerWaalsContact C-O 3.28Å; N2355-C2421 CarbonylContact O-C 3.56Å; N2355-C2421 PolarHBondContact O-N 3Å; N2355-C2421 VanDerWaalsContact O-O 3.12Å; N2355-M2422 PolarHBondContact ND2-O 3.1Å; N2355-M2422 PolarHBondContact O-N 3.4Å; N2355-L2423 VanDerWaalsContact ND2-CA 3.32Å; N2355-L2423 WeakPolarHBondContact ND2-CA 3.48Å; N2355-L2423 PolarHBondContact ND2-N 2.81Å; N2355-L2423 PolarHBondContact O-N 2.85Å; N2355-E2424 VanDerWaalsContact C-CB 3.47Å; N2355-E2424 PolarHBondContact ND2-N 2.9Å; N2355-E2424 WeakPolarHBondContact O-CB 3.37Å; N2355-E2424 PolarHBondContact O-N 3.36Å; N2355-T2425 WeakPolarHBondContact CA-OG1 3.36Å; N2355-T2425 WeakPolarHBondContact CB-OG1 3.29Å; N2355-T2425 VanDerWaalsContact CG-N 3.26Å; N2355-T2425 PolarHBondContact N-OG1 3.37Å; N2355-T2425 PolarHBondContact ND2-N 3.02Å; N2355-T2425 PolarHBondContact OD1-OG1 2.72Å; N2355-I2426 PolarHBondContact ND2-N 2.73Å; N2355-I2426 VanDerWaalsContact ND2-N 3.18Å |
| 2356 | K | 21.9 | Very low | 21.9 | Very low | 158.6 Ų | 158.6 | 128.9 Ų | 128.9 | 69% | 0.69 | 68% | 0.678 | S | S | * | * | trans | -96.5 | 23.9 | 166.4 | -71.1 | -160.8 | 170.1 | -177 | 0 | 115.7 | V2353 L2354 S2418 C2421 | V2353-K2356 HydrophobicContact CB-CG 4.48Å; V2353-K2356 HydrophobicContact CG1-CG 4.2Å; V2353-K2356 VanDerWaalsContact O-CB 3.26Å; V2353-K2356 WeakPolarHBondContact O-CB 3.34Å; V2353-K2356 WeakPolarHBondContact O-CG 3.47Å; V2353-K2356 PolarHBondContact O-N 3.3Å; L2354-K2356 PolarHBondContact O-N 3.12Å; K2356-S2418 PolarHBondContact NZ-OG 3.18Å; K2356-C2421 VanDerWaalsContact C-SG 3.56Å; K2356-C2421 WeakPolarHBondContact CA-SG 3.3Å; K2356-C2421 HydrophobicContact CB-CB 3.42Å; K2356-C2421 VanDerWaalsContact CB-CB 3.42Å; K2356-C2421 WeakPolarHBondContact CB-SG 3.3Å; K2356-C2421 HydrophobicContact CD-CB 3.24Å; K2356-C2421 WeakPolarHBondContact CE-O 3.32Å; K2356-C2421 HydrophobicContact CG-CB 3.47Å; K2356-C2421 VanDerWaalsContact CG-CB 3.47Å | ||
| 2357 | F | 22.2 | Very low | 21.8 | Very low | 169.6 Ų | 169.6 | 126.3 Ų | 126.3 | 74% | 0.744 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -141.6 | 80.6 | 158.1 | -80.8 | -70.4 | 0 | 0 | 0 | 112.3 | V2353 N2355 P2359 E2417 F2420 E2424 K2427 | V2353-F2357 HydrophobicContact CG1-CD2 4.07Å; V2353-F2357 HydrophobicContact CG1-CE2 3.85Å; N2355-F2357 VanDerWaalsContact C-N 3.32Å; N2355-F2357 PolarHBondContact O-N 2.7Å; F2357-P2359 VanDerWaalsContact O-CD 3.24Å; F2357-P2359 WeakPolarHBondContact O-CD 3.26Å; F2357-E2417 HydrophobicContact CE1-CG 4.23Å; F2357-E2417 HydrophobicContact CZ-CG 3.93Å; F2357-F2420 CarbonylContact C-O 3.47Å; F2357-F2420 HydrophobicContact CD1-CB 3.72Å; F2357-F2420 HydrophobicContact CD1-CD2 4.28Å; F2357-F2420 HydrophobicContact CD1-CG 4.29Å; F2357-F2420 HydrophobicContact CE1-CB 4.21Å; F2357-F2420 HydrophobicContact CE1-CD2 4.27Å; F2357-E2424 PolarHBondContact N-OE2 2.82Å; F2357-E2424 WeakPolarHBondContact O-CB 3.48Å; F2357-E2424 WeakPolarHBondContact O-CG 3.34Å; F2357-K2427 PolarHBondContact O-NZ 2.75Å |
| 2358 | V | 21.6 | Very low | 21.7 | Very low | 104.8 Ų | 104.8 | 127.9 Ų | 127.9 | 64% | 0.635 | 68% | 0.675 | S | S | * | * | trans | -43 | 128.1 | 148.6 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | P2360 F2420 K2427 | V2358-P2360 WeakPolarHBondContact O-CD 3.4Å; V2358-F2420 HydrophobicContact CB-CD1 4.33Å; V2358-F2420 HydrophobicContact CG2-CB 4.09Å; V2358-F2420 HydrophobicContact CG2-CD1 3.47Å; V2358-F2420 VanDerWaalsContact CG2-CD1 3.47Å; V2358-F2420 HydrophobicContact CG2-CD2 3.95Å; V2358-F2420 HydrophobicContact CG2-CE1 3.8Å; V2358-F2420 HydrophobicContact CG2-CE2 4.2Å; V2358-F2420 HydrophobicContact CG2-CG 3.58Å; V2358-F2420 HydrophobicContact CG2-CZ 4.14Å; V2358-F2420 PolarHBondContact N-O 2.95Å; V2358-F2420 VanDerWaalsContact N-O 3.09Å; V2358-K2427 PolarHBondContact O-NZ 3.48Å | ||
| 2359 | P | 24.1 | Very low | 21.7 | Very low | 89 Ų | 89 | 126.1 Ų | 126.1 | 58% | 0.578 | 67% | 0.674 | S | S | * | * | trans | -95.8 | -178.8 | -132.9 | 22.9 | -11 | 0 | 0 | 0 | 111.8 | F2357 E2361 N2394 R2395 K2397 | F2357-P2359 VanDerWaalsContact O-CD 3.24Å; F2357-P2359 WeakPolarHBondContact O-CD 3.26Å; P2359-E2361 PolarHBondContact O-N 2.75Å; P2359-N2394 CarbonylContact C-O 3.37Å; P2359-N2394 WeakPolarHBondContact CD-O 3.37Å; P2359-N2394 WeakPolarHBondContact CG-O 3Å; P2359-N2394 CarbonylContact O-C 2.85Å; P2359-N2394 WeakPolarHBondContact O-CA 3.31Å; P2359-R2395 HydrophobicContact CB-CB 4.43Å; P2359-R2395 HydrophobicContact CG-CB 4.02Å; P2359-K2397 HydrophobicContact CB-CD 3.53Å; P2359-K2397 HydrophobicContact CB-CG 3.4Å; P2359-K2397 HydrophobicContact CG-CD 4.29Å | ||
| 2360 | P | 22.9 | Very low | 21.7 | Very low | 94.8 Ų | 94.8 | 129 Ų | 129 | 62% | 0.616 | 68% | 0.683 | S | S | * | * | trans | -106.1 | 120.6 | -153.7 | 16.5 | -1 | 0 | 0 | 0 | 116.3 | V2358 H2392 I2393 N2394 R2395 L2396 L2423 | V2358-P2360 WeakPolarHBondContact O-CD 3.4Å; P2360-H2392 CarbonylContact O-C 3.55Å; P2360-I2393 CarbonylContact C-O 2.92Å; P2360-I2393 WeakPolarHBondContact CA-O 3.39Å; P2360-I2393 HydrophobicContact CB-CG2 4.12Å; P2360-I2393 WeakPolarHBondContact CB-O 3.2Å; P2360-I2393 WeakPolarHBondContact O-CA 3.49Å; P2360-N2394 VanDerWaalsContact C-N 3.26Å; P2360-N2394 VanDerWaalsContact CA-CA 3.45Å; P2360-N2394 VanDerWaalsContact N-C 3.29Å; P2360-R2395 VanDerWaalsContact N-C 3.34Å; P2360-L2396 HydrophobicContact CG-CB 4.42Å; P2360-L2396 WeakPolarHBondContact O-CA 3.21Å; P2360-L2396 WeakPolarHBondContact O-CB 3.41Å; P2360-L2396 PolarHBondContact O-N 3.05Å; P2360-L2423 HydrophobicContact CB-CD1 3.38Å; P2360-L2423 HydrophobicContact CB-CD2 3.68Å; P2360-L2423 HydrophobicContact CB-CG 4.13Å; P2360-L2423 HydrophobicContact CG-CD1 3.52Å | ||
| 2361 | E | 20.4 | Very low | 21.6 | Very low | 149.2 Ų | 149.2 | 132.5 Ų | 132.5 | 70% | 0.697 | 69% | 0.693 | S | S | * | * | trans | -106.5 | 0 | 170.5 | -90.9 | 169 | 176.4 | 0 | 0 | 114.1 | P2359 C2363 F2390 T2391 H2392 I2393 N2394 R2395 L2396 A2398 | P2359-E2361 PolarHBondContact O-N 2.75Å; E2361-C2363 PolarHBondContact O-N 3.47Å; E2361-C2363 VanDerWaalsContact O-N 3.15Å; E2361-F2390 CarbonylContact O-C 3.41Å; E2361-F2390 WeakPolarHBondContact O-CA 3.34Å; E2361-T2391 VanDerWaalsContact CB-CA 3.48Å; E2361-T2391 WeakPolarHBondContact CB-O 3.24Å; E2361-T2391 WeakPolarHBondContact CG-O 3.2Å; E2361-T2391 CarbonylContact O-C 3.54Å; E2361-T2391 WeakPolarHBondContact O-CA 3.13Å; E2361-T2391 PolarHBondContact O-N 2.94Å; E2361-H2392 WeakPolarHBondContact CA-O 3.34Å; E2361-I2393 VanDerWaalsContact C-CA 3.41Å; E2361-I2393 CarbonylContact O-C 3.43Å; E2361-I2393 PolarHBondContact O-N 2.77Å; E2361-N2394 VanDerWaalsContact N-CA 3.28Å; E2361-N2394 VanDerWaalsContact O-CA 3.3Å; E2361-N2394 WeakPolarHBondContact O-CA 3.48Å; E2361-N2394 PolarHBondContact O-N 2.64Å; E2361-R2395 VanDerWaalsContact CA-N 3.34Å; E2361-R2395 VanDerWaalsContact CB-CA 3.49Å; E2361-R2395 HydrophobicContact CB-CB 3.92Å; E2361-R2395 HydrophobicContact CB-CG 3.59Å; E2361-R2395 HydrophobicContact CG-CG 4.34Å; E2361-R2395 WeakPolarHBondContact OE1-CA 3.47Å; E2361-R2395 WeakPolarHBondContact OE1-CB 3.47Å; E2361-R2395 VanDerWaalsContact OE1-CD 3.25Å; E2361-R2395 WeakPolarHBondContact OE1-CD 3.27Å; E2361-R2395 WeakPolarHBondContact OE1-CG 3.41Å; E2361-R2395 IonicContact OE1-NH1 2.85Å; E2361-R2395 VanDerWaalsContact OE1-O 3.1Å; E2361-R2395 IonicContact OE2-CZ 2.63Å; E2361-R2395 IonicContact OE2-NH1 2.59Å; E2361-R2395 PolarHBondContact OE2-NH1 3.33Å; E2361-L2396 HydrophobicContact CB-CB 4.09Å; E2361-L2396 HydrophobicContact CG-CB 3.61Å; E2361-L2396 HydrophobicContact CG-CD1 3.79Å; E2361-L2396 HydrophobicContact CG-CG 4.29Å; E2361-L2396 VanDerWaalsContact OE1-CA 3.23Å; E2361-L2396 WeakPolarHBondContact OE1-CA 2.9Å; E2361-L2396 PolarHBondContact OE1-N 2.79Å; E2361-A2398 VanDerWaalsContact OE1-CB 3.29Å; E2361-A2398 WeakPolarHBondContact OE1-CB 3.42Å | ||
| 2362 | M | 20.3 | Very low | 21.6 | Very low | 154.2 Ų | 154.2 | 133.3 Ų | 133.3 | 76% | 0.76 | 70% | 0.697 | S | S | * | * | 0 | 110.8 | 0 | -89.9 | -173.1 | -178.5 | 0 | 0 | 112.9 | L2364 V2388 L2389 F2390 T2391 H2392 I2393 | M2362-L2364 VanDerWaalsContact C-N 3.28Å; M2362-L2364 HydrophobicContact CE-CB 3.71Å; M2362-L2364 HydrophobicContact CE-CD1 3.93Å; M2362-L2364 HydrophobicContact CE-CG 4.44Å; M2362-L2364 HydrophobicContact CG-CB 3.72Å; M2362-L2364 HydrophobicContact CG-CD1 4.35Å; M2362-L2364 HydrophobicContact CG-CG 4.25Å; M2362-L2364 PolarHBondContact O-N 3.43Å; M2362-L2364 HydrophobicContact SD-CB 3.66Å; M2362-L2364 HydrophobicContact SD-CD1 4.37Å; M2362-V2388 CarbonylContact C-O 3.55Å; M2362-V2388 WeakPolarHBondContact CA-O 3.39Å; M2362-V2388 HydrophobicContact CB-CG1 4.39Å; M2362-V2388 WeakPolarHBondContact CB-O 3.32Å; M2362-V2388 PolarHBondContact N-O 3.05Å; M2362-V2388 VanDerWaalsContact O-O 3.13Å; M2362-V2388 HydrophobicContact SD-CG2 4.47Å; M2362-L2389 PolarHBondContact N-O 2.99Å; M2362-F2390 VanDerWaalsContact N-C 3.3Å; M2362-T2391 VanDerWaalsContact CA-N 3.26Å; M2362-T2391 WeakPolarHBondContact CE-OG1 3.3Å; M2362-T2391 VanDerWaalsContact CG-O 3.22Å; M2362-T2391 WeakPolarHBondContact CG-O 3.46Å; M2362-T2391 VanDerWaalsContact CG-OG1 3.27Å; M2362-T2391 WeakPolarHBondContact CG-OG1 2.96Å; M2362-T2391 PolarHBondContact SD-OG1 3.41Å; M2362-H2392 VanDerWaalsContact C-CA 3.43Å; M2362-H2392 HydrophobicContact CB-CB 4.47Å; M2362-H2392 CarbonylContact O-C 3.55Å; M2362-I2393 PolarHBondContact O-N 2.82Å | |||
| 2363 | C | 19.7 | Very low | 21.6 | Very low | 99.2 Ų | 99.2 | 137.4 Ų | 137.4 | 67% | 0.67 | 70% | 0.704 | S | S | * | * | trans | -146.7 | 90 | 139.9 | -83.6 | 0 | 0 | 0 | 0 | 109.9 | E2361 L2365 V2388 H2392 K2447 | E2361-C2363 PolarHBondContact O-N 3.47Å; E2361-C2363 VanDerWaalsContact O-N 3.15Å; C2363-L2365 PolarHBondContact O-N 3.19Å; C2363-L2365 VanDerWaalsContact O-N 3.13Å; C2363-V2388 PolarHBondContact N-O 2.84Å; C2363-H2392 HydrophobicContact CB-CB 4.11Å; C2363-K2447 HydrophobicContact CB-CG 4.46Å | ||
| 2364 | L | 20.2 | Very low | 21.6 | Very low | 136 Ų | 136 | 136.8 Ų | 136.8 | 71% | 0.712 | 71% | 0.705 | S | S | * | * | trans | 164.9 | 95.4 | 159.1 | -77.8 | 162.4 | 0 | 0 | 0 | 111.3 | M2362 N2366 V2388 H2392 | M2362-L2364 VanDerWaalsContact C-N 3.28Å; M2362-L2364 HydrophobicContact CE-CB 3.71Å; M2362-L2364 HydrophobicContact CE-CD1 3.93Å; M2362-L2364 HydrophobicContact CE-CG 4.44Å; M2362-L2364 HydrophobicContact CG-CB 3.72Å; M2362-L2364 HydrophobicContact CG-CD1 4.35Å; M2362-L2364 HydrophobicContact CG-CG 4.25Å; M2362-L2364 PolarHBondContact O-N 3.43Å; M2362-L2364 HydrophobicContact SD-CB 3.66Å; M2362-L2364 HydrophobicContact SD-CD1 4.37Å; L2364-N2366 HydrophobicContact CD2-CB 4.43Å; L2364-V2388 WeakPolarHBondContact O-CG1 3.49Å; L2364-V2388 WeakPolarHBondContact O-CG2 3.48Å; L2364-H2392 WeakPolarHBondContact CD1-NE2 3.43Å | ||
| 2365 | L | 20.4 | Very low | 21.6 | Very low | 152 Ų | 152 | 140.8 Ų | 140.8 | 80% | 0.796 | 71% | 0.712 | S | S | * | * | trans | -137.5 | 111.2 | 130.7 | -86.9 | 164 | 0 | 0 | 0 | 109.6 | C2363 E2367 | C2363-L2365 PolarHBondContact O-N 3.19Å; C2363-L2365 VanDerWaalsContact O-N 3.13Å; L2365-E2367 HydrophobicContact CD2-CB 3.64Å; L2365-E2367 PolarHBondContact O-N 3.22Å | ||
| 2366 | N | 20.6 | Very low | 21.6 | Very low | 132.6 Ų | 132.6 | 142.4 Ų | 142.4 | 71% | 0.709 | 72% | 0.721 | S | S | * | * | trans | -79 | 111.3 | 150 | -78.9 | -18 | 0 | 0 | 0 | 110.2 | L2364 V2477 | L2364-N2366 HydrophobicContact CD2-CB 4.43Å; N2366-V2477 HydrophobicContact CB-CB 3.92Å; N2366-V2477 HydrophobicContact CB-CG1 4.01Å; N2366-V2477 HydrophobicContact CB-CG2 3.5Å; N2366-V2477 PolarHBondContact ND2-O 3.33Å; N2366-V2477 WeakPolarHBondContact O-CG2 3.27Å | ||
| 2367 | E | 21 | Very low | 21.7 | Very low | 143.8 Ų | 143.8 | 139.4 Ų | 139.4 | 67% | 0.672 | 72% | 0.719 | S | S | * | * | trans | 164.5 | 118.6 | 142.5 | -81.2 | -177.1 | 158.7 | 0 | 0 | 109.3 | L2365 D2369 I2473 K2476 | L2365-E2367 HydrophobicContact CD2-CB 3.64Å; L2365-E2367 PolarHBondContact O-N 3.22Å; E2367-D2369 PolarHBondContact O-N 3.33Å; E2367-I2473 HydrophobicContact CG-CG1 4.34Å; E2367-I2473 HydrophobicContact CG-CG2 4.38Å; E2367-I2473 WeakPolarHBondContact OE2-CG1 3.47Å; E2367-K2476 HydrophobicContact CG-CD 4.33Å; E2367-K2476 WeakPolarHBondContact OE1-CD 3.31Å; E2367-K2476 WeakPolarHBondContact OE1-CE 3.35Å; E2367-K2476 IonicContact OE1-NZ 2.69Å; E2367-K2476 PolarHBondContact OE1-NZ 2.9Å | ||
| 2368 | K | 20.5 | Very low | 21.9 | Very low | 175.6 Ų | 175.6 | 135.4 Ų | 135.4 | 76% | 0.763 | 71% | 0.709 | S | S | * | * | trans | 15.8 | 78.2 | 135 | -77.3 | -174.7 | 179.2 | 177.5 | 0 | 114.2 | E2763 | K2368-E2763 VanDerWaalsContact CE-OE2 3.3Å; K2368-E2763 WeakPolarHBondContact CE-OE2 2.89Å; K2368-E2763 IonicContact NZ-OE1 3.27Å; K2368-E2763 PolarHBondContact NZ-OE1 2.64Å; K2368-E2763 IonicContact NZ-OE2 2.74Å; K2368-E2763 PolarHBondContact NZ-OE2 3.3Å | ||
| 2369 | D | 22.2 | Very low | 22.2 | Very low | 140.4 Ų | 140.4 | 136 Ų | 136 | 75% | 0.751 | 70% | 0.703 | S | S | * | * | trans | -147.1 | 124.2 | 151 | -75.6 | -21.4 | 0 | 0 | 0 | 111.6 | E2367 F2371 | E2367-D2369 PolarHBondContact O-N 3.33Å; D2369-F2371 PolarHBondContact O-N 2.97Å | ||
| 2370 | D | 21.1 | Very low | 22.4 | Very low | 150.6 Ų | 150.6 | 137 Ų | 137 | 81% | 0.805 | 70% | 0.703 | S | S | * | * | trans | -26.6 | 103.1 | 167.2 | -62.3 | -42.7 | 0 | 0 | 0 | 115.2 | E2372 | D2370-E2372 VanDerWaalsContact C-N 3.31Å; D2370-E2372 HydrophobicContact CB-CG 4.28Å; D2370-E2372 PolarHBondContact O-N 3.03Å | ||
| 2371 | F | 21 | Very low | 22.7 | Very low | 191.8 Ų | 191.8 | 137.2 Ų | 137.2 | 84% | 0.841 | 70% | 0.699 | S | S | * | * | trans | -107.4 | 87.2 | 149 | -104.3 | -81.6 | 0 | 0 | 0 | 110.1 | D2369 I2373 | D2369-F2371 PolarHBondContact O-N 2.97Å; F2371-I2373 HydrophobicContact CB-CG1 4.39Å; F2371-I2373 HydrophobicContact CD1-CD1 4.04Å; F2371-I2373 HydrophobicContact CE1-CD1 4.09Å; F2371-I2373 PolarHBondContact O-N 3.24Å | ||
| 2372 | E | 22.6 | Very low | 23.3 | Very low | 170.6 Ų | 170.6 | 133.6 Ų | 133.6 | 80% | 0.797 | 68% | 0.684 | S | S | * | * | trans | -66.4 | 122.7 | 148.9 | -91.8 | -173.7 | 163 | 0 | 0 | 113.3 | D2370 | D2370-E2372 VanDerWaalsContact C-N 3.31Å; D2370-E2372 HydrophobicContact CB-CG 4.28Å; D2370-E2372 PolarHBondContact O-N 3.03Å | ||
| 2373 | I | 22.5 | Very low | 24 | Very low | 141.2 Ų | 141.2 | 129.1 Ų | 129.1 | 72% | 0.724 | 66% | 0.66 | S | S | * | * | trans | 121.2 | 76.2 | 171.5 | -51.2 | 170.3 | 0 | 0 | 0 | 113.7 | F2371 R2375 | F2371-I2373 HydrophobicContact CB-CG1 4.39Å; F2371-I2373 HydrophobicContact CD1-CD1 4.04Å; F2371-I2373 HydrophobicContact CE1-CD1 4.09Å; F2371-I2373 PolarHBondContact O-N 3.24Å; I2373-R2375 VanDerWaalsContact C-N 3.28Å | ||
| 2374 | S | 22.2 | Very low | 24.6 | Very low | 92.8 Ų | 92.8 | 127 Ų | 127 | 65% | 0.649 | 65% | 0.647 | S | S | * | * | trans | -170.8 | 84.5 | 148.9 | 66.6 | 0 | 0 | 0 | 0 | 116.4 | N2376 T2378 | S2374-N2376 PolarHBondContact O-N 3.09Å; S2374-T2378 VanDerWaalsContact C-OG1 3.27Å; S2374-T2378 PolarHBondContact O-OG1 2.89Å | ||
| 2375 | R | 23.1 | Very low | 25.4 | Very low | 198.8 Ų | 198.8 | 124.7 Ų | 124.7 | 75% | 0.75 | 64% | 0.635 | S | S | * | * | trans | -129.9 | 30.8 | -152.8 | -94.6 | -176.7 | -177.1 | 173 | 0.4 | 114.6 | I2373 S2377 T2378 F2379 | I2373-R2375 VanDerWaalsContact C-N 3.28Å; R2375-S2377 PolarHBondContact O-N 3.2Å; R2375-T2378 WeakPolarHBondContact CA-OG1 3.22Å; R2375-T2378 PolarHBondContact O-OG1 3Å; R2375-F2379 HydrophobicContact CG-CE2 4.42Å; R2375-F2379 WeakPolarHBondContact O-CD2 3.33Å | ||
| 2376 | N | 23.8 | Very low | 26.1 | Very low | 145.8 Ų | 145.8 | 118.3 Ų | 118.3 | 78% | 0.78 | 60% | 0.601 | S | S | * | * | trans | -73.9 | 26.6 | 176.9 | -67.3 | -1.8 | 0 | 0 | 0 | 116 | S2374 | S2374-N2376 PolarHBondContact O-N 3.09Š| ||
| 2377 | S | 23.6 | Very low | 26.9 | Very low | 94.2 Ų | 94.2 | 116 Ų | 116 | 66% | 0.659 | 59% | 0.588 | S | S | * | * | trans | -124.3 | 20.2 | 172.1 | 52.4 | 0 | 0 | 0 | 0 | 114.3 | R2375 | R2375-S2377 PolarHBondContact O-N 3.2Š| ||
| 2378 | T | 26.1 | Very low | 27.7 | Very low | 85.4 Ų | 85.4 | 111.9 Ų | 111.9 | 52% | 0.524 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -47.2 | 14.5 | 156.3 | 48.9 | 0 | 0 | 0 | 0 | 115 | S2374 R2375 I2380 N2381 D2382 | S2374-T2378 VanDerWaalsContact C-OG1 3.27Å; S2374-T2378 PolarHBondContact O-OG1 2.89Å; R2375-T2378 WeakPolarHBondContact CA-OG1 3.22Å; R2375-T2378 PolarHBondContact O-OG1 3Å; T2378-I2380 VanDerWaalsContact C-N 3.3Å; T2378-I2380 PolarHBondContact O-N 3.17Å; T2378-N2381 PolarHBondContact O-N 2.81Å; T2378-D2382 WeakPolarHBondContact O-CA 3.25Å; T2378-D2382 WeakPolarHBondContact O-CB 3.45Å; T2378-D2382 PolarHBondContact O-N 3.07Å |
| 2379 | F | 27.7 | Very low | 28.7 | Very low | 117.6 Ų | 117.6 | 104.6 Ų | 104.6 | 52% | 0.516 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -22.4 | -54.1 | 179.6 | -103.5 | -84.7 | 0 | 0 | 0 | 114.5 | R2375 F2383 L2488 | R2375-F2379 HydrophobicContact CG-CE2 4.42Å; R2375-F2379 WeakPolarHBondContact O-CD2 3.33Å; F2379-F2383 VanDerWaalsContact O-CB 3.31Å; F2379-F2383 WeakPolarHBondContact O-CB 3.34Å; F2379-F2383 PolarHBondContact O-N 2.8Å; F2379-L2488 HydrophobicContact CD1-CD2 4.09Å; F2379-L2488 HydrophobicContact CE1-CD2 3.37Å; F2379-L2488 VanDerWaalsContact CE1-CD2 3.48Å; F2379-L2488 HydrophobicContact CZ-CD2 3.86Å |
| 2380 | I | 28.4 | Very low | 29.6 | Very low | 109.8 Ų | 109.8 | 100 Ų | 100 | 56% | 0.563 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -110 | -37.8 | 171.7 | -76 | 170.6 | 0 | 0 | 0 | 111.8 | T2378 D2382 F2383 S2384 N2438 D2439 Q2440 | T2378-I2380 VanDerWaalsContact C-N 3.3Å; T2378-I2380 PolarHBondContact O-N 3.17Å; I2380-D2382 VanDerWaalsContact C-N 3.34Å; I2380-F2383 CarbonylContact O-C 3.57Å; I2380-F2383 WeakPolarHBondContact O-CA 3.47Å; I2380-F2383 WeakPolarHBondContact O-CB 3.29Å; I2380-F2383 PolarHBondContact O-N 3.12Å; I2380-S2384 PolarHBondContact O-N 2.89Å; I2380-S2384 VanDerWaalsContact O-N 3.11Å; I2380-S2384 PolarHBondContact O-OG 3.06Å; I2380-S2384 VanDerWaalsContact O-OG 3.11Å; I2380-N2438 CarbonylContact C-O 3.47Å; I2380-N2438 CarbonylContact O-C 3.57Å; I2380-N2438 VanDerWaalsContact O-O 3.07Å; I2380-D2439 CarbonylContact O-C 3.49Å; I2380-D2439 WeakPolarHBondContact O-CA 3.16Å; I2380-D2439 PolarHBondContact O-N 3.11Å; I2380-Q2440 HydrophobicContact CG2-CB 3.35Å; I2380-Q2440 HydrophobicContact CG2-CG 3.61Å; I2380-Q2440 PolarHBondContact O-N 3.35Å |
| 2381 | N | 29.6 | Very low | 30.4 | Very low | 100 Ų | 100 | 96 Ų | 96 | 54% | 0.535 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56 | -55.5 | 176.3 | -69.9 | 4 | 0 | 0 | 0 | 116.6 | T2378 F2383 S2384 D2385 K2437 N2438 D2439 Q2440 | T2378-N2381 PolarHBondContact O-N 2.81Å; N2381-F2383 VanDerWaalsContact C-N 3.28Å; N2381-F2383 PolarHBondContact O-N 3.07Å; N2381-S2384 WeakPolarHBondContact CA-OG 3.48Å; N2381-S2384 WeakPolarHBondContact O-CA 3.45Å; N2381-S2384 WeakPolarHBondContact O-CB 3.28Å; N2381-S2384 PolarHBondContact O-N 3.17Å; N2381-S2384 PolarHBondContact O-OG 3.33Å; N2381-D2385 WeakPolarHBondContact O-CA 3.22Å; N2381-D2385 WeakPolarHBondContact O-CB 3.38Å; N2381-D2385 VanDerWaalsContact O-CG 3.26Å; N2381-D2385 PolarHBondContact O-N 3.23Å; N2381-K2437 CarbonylContact C-O 3.25Å; N2381-K2437 VanDerWaalsContact C-O 3.27Å; N2381-K2437 CarbonylContact O-C 3.38Å; N2381-K2437 VanDerWaalsContact O-O 3.04Å; N2381-N2438 CarbonylContact O-C 3.36Å; N2381-N2438 WeakPolarHBondContact O-CA 3.44Å; N2381-N2438 PolarHBondContact O-N 3.06Å; N2381-D2439 CarbonylContact O-C 3.29Å; N2381-D2439 VanDerWaalsContact O-C 3.31Å; N2381-D2439 WeakPolarHBondContact O-CA 3.43Å; N2381-D2439 PolarHBondContact O-N 2.88Å; N2381-Q2440 HydrophobicContact CB-CB 4.35Å; N2381-Q2440 HydrophobicContact CB-CG 3.39Å |
| 2382 | D | 33.6 | Very low | 31.5 | Very low | 72.4 Ų | 72.4 | 89.3 Ų | 89.3 | 39% | 0.387 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -54.3 | -20.6 | 172.7 | -74.6 | -27.9 | 0 | 0 | 0 | 114.2 | T2378 I2380 S2384 Q2386 L2436 K2437 Q2440 L2443 | T2378-D2382 WeakPolarHBondContact O-CA 3.25Å; T2378-D2382 WeakPolarHBondContact O-CB 3.45Å; T2378-D2382 PolarHBondContact O-N 3.07Å; I2380-D2382 VanDerWaalsContact C-N 3.34Å; D2382-S2384 PolarHBondContact O-N 3.06Å; D2382-S2384 VanDerWaalsContact O-N 3.11Å; D2382-Q2386 VanDerWaalsContact O-CB 3.28Å; D2382-Q2386 WeakPolarHBondContact O-CB 3.31Å; D2382-Q2386 WeakPolarHBondContact O-CG 3.38Å; D2382-Q2386 PolarHBondContact O-N 3.19Å; D2382-Q2386 PolarHBondContact O-NE2 3.43Å; D2382-L2436 CarbonylContact O-C 3.5Å; D2382-K2437 HydrophobicContact CB-CD 4.49Å; D2382-K2437 WeakPolarHBondContact O-CA 3.33Å; D2382-Q2440 HydrophobicContact CB-CG 4.35Å; D2382-Q2440 VanDerWaalsContact CG-CG 3.43Å; D2382-Q2440 PolarHBondContact OD1-NE2 2.85Å; D2382-Q2440 WeakPolarHBondContact OD2-CA 3.3Å; D2382-Q2440 WeakPolarHBondContact OD2-CG 2.84Å; D2382-Q2440 PolarHBondContact OD2-NE2 3.34Å; D2382-L2443 HydrophobicContact CB-CD1 4.24Å; D2382-L2443 HydrophobicContact CB-CG 4.22Å; D2382-L2443 WeakPolarHBondContact OD2-CB 3.32Å; D2382-L2443 VanDerWaalsContact OD2-CD1 3.29Å; D2382-L2443 WeakPolarHBondContact OD2-CD1 3.24Å; D2382-L2443 WeakPolarHBondContact OD2-CG 3.25Å |
| 2383 | F | 33.1 | Very low | 32.7 | Very low | 60.4 Ų | 60.4 | 81.7 Ų | 81.7 | 27% | 0.265 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -80.5 | -20.9 | 166.4 | -141.2 | -87.7 | 0 | 0 | 0 | 111.9 | F2379 I2380 N2381 Q2386 I2387 F2432 I2433 L2436 K2437 I2485 L2488 I2489 | F2379-F2383 VanDerWaalsContact O-CB 3.31Å; F2379-F2383 WeakPolarHBondContact O-CB 3.34Å; F2379-F2383 PolarHBondContact O-N 2.8Å; I2380-F2383 CarbonylContact O-C 3.57Å; I2380-F2383 WeakPolarHBondContact O-CA 3.47Å; I2380-F2383 WeakPolarHBondContact O-CB 3.29Å; I2380-F2383 PolarHBondContact O-N 3.12Å; N2381-F2383 VanDerWaalsContact C-N 3.28Å; N2381-F2383 PolarHBondContact O-N 3.07Å; F2383-Q2386 HydrophobicContact CD1-CG 4.23Å; F2383-Q2386 HydrophobicContact CE1-CB 4.34Å; F2383-Q2386 VanDerWaalsContact CE1-CD 3.49Å; F2383-Q2386 HydrophobicContact CE1-CG 3.62Å; F2383-Q2386 HydrophobicContact CZ-CG 4.45Å; F2383-Q2386 PolarHBondContact O-N 3.09Å; F2383-I2387 HydrophobicContact CB-CD1 4.19Å; F2383-I2387 HydrophobicContact CD1-CD1 3.7Å; F2383-I2387 HydrophobicContact CD1-CG1 4.38Å; F2383-I2387 HydrophobicContact CE1-CD1 3.45Å; F2383-I2387 VanDerWaalsContact CE1-CD1 3.45Å; F2383-I2387 HydrophobicContact CE1-CG1 4.3Å; F2383-I2387 HydrophobicContact CZ-CD1 4.31Å; F2383-I2387 VanDerWaalsContact O-CB 3.26Å; F2383-I2387 WeakPolarHBondContact O-CB 3.39Å; F2383-I2387 WeakPolarHBondContact O-CD1 3.33Å; F2383-I2387 WeakPolarHBondContact O-CG1 3.29Å; F2383-I2387 PolarHBondContact O-N 3.21Å; F2383-F2432 WeakPolarHBondContact CE2-O 3.34Å; F2383-I2433 HydrophobicContact CD1-CG2 4.26Å; F2383-I2433 WeakPolarHBondContact CD2-O 3.3Å; F2383-I2433 HydrophobicContact CE1-CG2 3.54Å; F2383-I2433 HydrophobicContact CE2-CB 4.47Å; F2383-I2433 WeakPolarHBondContact CE2-O 3.49Å; F2383-I2433 HydrophobicContact CZ-CG2 3.95Å; F2383-L2436 HydrophobicContact CD1-CB 4.33Å; F2383-L2436 HydrophobicContact CD2-CB 3.83Å; F2383-L2436 HydrophobicContact CE1-CB 3.97Å; F2383-L2436 HydrophobicContact CE1-CD2 3.79Å; F2383-L2436 HydrophobicContact CE1-CG 4.35Å; F2383-L2436 HydrophobicContact CE2-CB 3.44Å; F2383-L2436 VanDerWaalsContact CE2-CB 3.44Å; F2383-L2436 HydrophobicContact CE2-CD1 4Å; F2383-L2436 HydrophobicContact CE2-CD2 4.41Å; F2383-L2436 HydrophobicContact CE2-CG 4.12Å; F2383-L2436 HydrophobicContact CG-CB 4.28Å; F2383-L2436 HydrophobicContact CZ-CB 3.55Å; F2383-L2436 HydrophobicContact CZ-CD1 3.75Å; F2383-L2436 HydrophobicContact CZ-CD2 3.66Å; F2383-L2436 HydrophobicContact CZ-CG 3.84Å; F2383-K2437 HydrophobicContact CB-CB 3.92Å; F2383-K2437 HydrophobicContact CB-CD 3.41Å; F2383-K2437 VanDerWaalsContact CB-CD 3.41Å; F2383-K2437 HydrophobicContact CB-CG 3.66Å; F2383-K2437 HydrophobicContact CD2-CB 3.81Å; F2383-K2437 HydrophobicContact CD2-CD 4.25Å; F2383-K2437 HydrophobicContact CD2-CG 4.41Å; F2383-K2437 VanDerWaalsContact CD2-N 3.28Å; F2383-K2437 HydrophobicContact CG-CB 4.39Å; F2383-K2437 HydrophobicContact CG-CD 4.37Å; F2383-K2437 WeakPolarHBondContact O-CE 3.44Å; F2383-K2437 PolarHBondContact O-NZ 3.31Å; F2383-I2485 HydrophobicContact CE2-CG2 4.16Å; F2383-I2485 HydrophobicContact CZ-CG2 4.15Å; F2383-L2488 HydrophobicContact CD2-CD1 4.25Å; F2383-L2488 HydrophobicContact CE2-CB 4.21Å; F2383-L2488 HydrophobicContact CE2-CD1 4.46Å; F2383-I2489 HydrophobicContact CE2-CG1 4.44Å; F2383-I2489 HydrophobicContact CZ-CD1 4.38Å; F2383-I2489 HydrophobicContact CZ-CG1 4.12Å |
| 2384 | S | 33.3 | Very low | 33.9 | Very low | 54.8 Ų | 54.8 | 78.4 Ų | 78.4 | 38% | 0.383 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.1 | -52.2 | 171.9 | 48.6 | 0 | 0 | 0 | 0 | 112 | I2380 N2381 D2382 Q2386 I2387 V2388 | I2380-S2384 PolarHBondContact O-N 2.89Å; I2380-S2384 VanDerWaalsContact O-N 3.11Å; I2380-S2384 PolarHBondContact O-OG 3.06Å; I2380-S2384 VanDerWaalsContact O-OG 3.11Å; N2381-S2384 WeakPolarHBondContact CA-OG 3.48Å; N2381-S2384 WeakPolarHBondContact O-CA 3.45Å; N2381-S2384 WeakPolarHBondContact O-CB 3.28Å; N2381-S2384 PolarHBondContact O-N 3.17Å; N2381-S2384 PolarHBondContact O-OG 3.33Å; D2382-S2384 PolarHBondContact O-N 3.06Å; D2382-S2384 VanDerWaalsContact O-N 3.11Å; S2384-Q2386 VanDerWaalsContact C-N 3.31Å; S2384-Q2386 PolarHBondContact O-N 3.07Å; S2384-I2387 PolarHBondContact O-N 3.12Å; S2384-V2388 VanDerWaalsContact O-CB 3.29Å; S2384-V2388 WeakPolarHBondContact O-CB 3.4Å; S2384-V2388 VanDerWaalsContact O-CG2 3.25Å; S2384-V2388 WeakPolarHBondContact O-CG2 3.33Å; S2384-V2388 PolarHBondContact O-N 3.17Å; S2384-V2388 VanDerWaalsContact O-N 3.11Å |
| 2385 | D | 36 | Very low | 35 | Very low | 88.2 Ų | 88.2 | 80.3 Ų | 80.3 | 47% | 0.472 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -57.1 | -28 | 171.9 | -72.2 | -9.3 | 0 | 0 | 0 | 113.1 | N2381 I2387 V2388 L2389 Q2440 L2443 | N2381-D2385 WeakPolarHBondContact O-CA 3.22Å; N2381-D2385 WeakPolarHBondContact O-CB 3.38Å; N2381-D2385 VanDerWaalsContact O-CG 3.26Å; N2381-D2385 PolarHBondContact O-N 3.23Å; D2385-I2387 VanDerWaalsContact C-N 3.29Å; D2385-I2387 PolarHBondContact O-N 2.95Å; D2385-V2388 CarbonylContact O-C 3.58Å; D2385-V2388 WeakPolarHBondContact O-CB 3.3Å; D2385-L2389 VanDerWaalsContact O-CB 3.27Å; D2385-L2389 WeakPolarHBondContact O-CB 3.35Å; D2385-L2389 PolarHBondContact O-N 2.93Å; D2385-Q2440 PolarHBondContact OD2-NE2 3.02Å; D2385-L2443 HydrophobicContact CB-CD1 4.42Å |
| 2386 | Q | 37 | Very low | 36.3 | Very low | 16.6 Ų | 16.6 | 71.8 Ų | 71.8 | 8% | 0.078 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -74.4 | -28 | 172.5 | -72.7 | -179.2 | 16.1 | 0 | 0 | 114 | D2382 F2383 S2384 V2388 L2389 F2390 I2433 L2436 K2437 I2485 | D2382-Q2386 VanDerWaalsContact O-CB 3.28Å; D2382-Q2386 WeakPolarHBondContact O-CB 3.31Å; D2382-Q2386 WeakPolarHBondContact O-CG 3.38Å; D2382-Q2386 PolarHBondContact O-N 3.19Å; D2382-Q2386 PolarHBondContact O-NE2 3.43Å; F2383-Q2386 HydrophobicContact CD1-CG 4.23Å; F2383-Q2386 HydrophobicContact CE1-CB 4.34Å; F2383-Q2386 VanDerWaalsContact CE1-CD 3.49Å; F2383-Q2386 HydrophobicContact CE1-CG 3.62Å; F2383-Q2386 HydrophobicContact CZ-CG 4.45Å; F2383-Q2386 PolarHBondContact O-N 3.09Å; S2384-Q2386 VanDerWaalsContact C-N 3.31Å; S2384-Q2386 PolarHBondContact O-N 3.07Å; Q2386-V2388 VanDerWaalsContact C-N 3.26Å; Q2386-L2389 CarbonylContact O-C 3.55Å; Q2386-L2389 VanDerWaalsContact O-C 3.26Å; Q2386-L2389 WeakPolarHBondContact O-CA 3.25Å; Q2386-L2389 VanDerWaalsContact O-CB 3.24Å; Q2386-L2389 WeakPolarHBondContact O-CB 3.23Å; Q2386-L2389 PolarHBondContact O-N 3.01Å; Q2386-F2390 VanDerWaalsContact O-CB 3.28Å; Q2386-F2390 WeakPolarHBondContact O-CB 3.37Å; Q2386-F2390 WeakPolarHBondContact O-CD2 3.32Å; Q2386-F2390 WeakPolarHBondContact O-CG 3.36Å; Q2386-F2390 PolarHBondContact O-N 3.36Å; Q2386-I2433 VanDerWaalsContact NE2-C 3.26Å; Q2386-I2433 PolarHBondContact NE2-O 2.79Å; Q2386-I2433 PolarHBondContact OE1-O 2.78Å; Q2386-L2436 HydrophobicContact CB-CB 4.5Å; Q2386-L2436 HydrophobicContact CG-CB 3.9Å; Q2386-L2436 WeakPolarHBondContact CG-O 3.42Å; Q2386-L2436 VanDerWaalsContact NE2-CB 3.31Å; Q2386-K2437 HydrophobicContact CG-CG 4.03Å; Q2386-K2437 VanDerWaalsContact NE2-N 3.13Å; Q2386-I2485 HydrophobicContact CB-CD1 4.49Å; Q2386-I2485 HydrophobicContact CB-CG1 4.49Å |
| 2387 | I | 36.8 | Very low | 37.6 | Very low | 85.8 Ų | 85.8 | 67.4 Ų | 67.4 | 44% | 0.44 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -77.4 | -37.1 | 173 | -70.6 | 172.7 | 0 | 0 | 0 | 110.9 | F2383 S2384 D2385 L2389 F2390 T2391 | F2383-I2387 HydrophobicContact CB-CD1 4.19Å; F2383-I2387 HydrophobicContact CD1-CD1 3.7Å; F2383-I2387 HydrophobicContact CD1-CG1 4.38Å; F2383-I2387 HydrophobicContact CE1-CD1 3.45Å; F2383-I2387 VanDerWaalsContact CE1-CD1 3.45Å; F2383-I2387 HydrophobicContact CE1-CG1 4.3Å; F2383-I2387 HydrophobicContact CZ-CD1 4.31Å; F2383-I2387 VanDerWaalsContact O-CB 3.26Å; F2383-I2387 WeakPolarHBondContact O-CB 3.39Å; F2383-I2387 WeakPolarHBondContact O-CD1 3.33Å; F2383-I2387 WeakPolarHBondContact O-CG1 3.29Å; F2383-I2387 PolarHBondContact O-N 3.21Å; S2384-I2387 PolarHBondContact O-N 3.12Å; D2385-I2387 VanDerWaalsContact C-N 3.29Å; D2385-I2387 PolarHBondContact O-N 2.95Å; I2387-L2389 VanDerWaalsContact C-N 3.34Å; I2387-L2389 PolarHBondContact O-N 3.4Å; I2387-F2390 CarbonylContact O-C 3.42Å; I2387-F2390 VanDerWaalsContact O-CA 3.25Å; I2387-F2390 WeakPolarHBondContact O-CA 3.18Å; I2387-F2390 PolarHBondContact O-N 3.07Å; I2387-T2391 HydrophobicContact CG2-CG2 3.73Å; I2387-T2391 WeakPolarHBondContact O-CB 3.32Å; I2387-T2391 PolarHBondContact O-N 3.36Å; I2387-T2391 VanDerWaalsContact O-N 3.1Å; I2387-T2391 PolarHBondContact O-OG1 3.07Å |
| 2388 | V | 37.3 | Very low | 38.9 | Very low | 56.4 Ų | 56.4 | 65.2 Ų | 65.2 | 34% | 0.342 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 172.9 | 173.6 | 0 | 0 | 0 | 0 | 110.2 | M2362 C2363 L2364 S2384 D2385 Q2386 F2390 T2391 H2392 C2478 | M2362-V2388 CarbonylContact C-O 3.55Å; M2362-V2388 WeakPolarHBondContact CA-O 3.39Å; M2362-V2388 HydrophobicContact CB-CG1 4.39Å; M2362-V2388 WeakPolarHBondContact CB-O 3.32Å; M2362-V2388 PolarHBondContact N-O 3.05Å; M2362-V2388 VanDerWaalsContact O-O 3.13Å; M2362-V2388 HydrophobicContact SD-CG2 4.47Å; C2363-V2388 PolarHBondContact N-O 2.84Å; L2364-V2388 WeakPolarHBondContact O-CG1 3.49Å; L2364-V2388 WeakPolarHBondContact O-CG2 3.48Å; S2384-V2388 VanDerWaalsContact O-CB 3.29Å; S2384-V2388 WeakPolarHBondContact O-CB 3.4Å; S2384-V2388 VanDerWaalsContact O-CG2 3.25Å; S2384-V2388 WeakPolarHBondContact O-CG2 3.33Å; S2384-V2388 PolarHBondContact O-N 3.17Å; S2384-V2388 VanDerWaalsContact O-N 3.11Å; D2385-V2388 CarbonylContact O-C 3.58Å; D2385-V2388 WeakPolarHBondContact O-CB 3.3Å; Q2386-V2388 VanDerWaalsContact C-N 3.26Å; V2388-F2390 VanDerWaalsContact C-N 3.35Å; V2388-F2390 PolarHBondContact O-N 3.41Å; V2388-T2391 WeakPolarHBondContact O-CB 3.38Å; V2388-T2391 PolarHBondContact O-N 3.36Å; V2388-T2391 VanDerWaalsContact O-N 3.16Å; V2388-H2392 PolarHBondContact O-CD2 3.17Å; V2388-H2392 PolarHBondContact O-N 3.27Å; V2388-C2478 HydrophobicContact CG1-CB 4.26Å; V2388-C2478 WeakPolarHBondContact CG1-SG 3.49Å |
| 2389 | L | 40.9 | Very low | 39.9 | Very low | 23.2 Ų | 23.2 | 63.5 Ų | 63.5 | 12% | 0.121 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.3 | -39.5 | 172.2 | -155.1 | 71 | 0 | 0 | 0 | 112.2 | M2362 D2385 Q2386 I2387 T2391 H2392 I2393 M2422 T2425 L2436 F2442 L2443 L2474 Q2481 | M2362-L2389 PolarHBondContact N-O 2.99Å; D2385-L2389 VanDerWaalsContact O-CB 3.27Å; D2385-L2389 WeakPolarHBondContact O-CB 3.35Å; D2385-L2389 PolarHBondContact O-N 2.93Å; Q2386-L2389 CarbonylContact O-C 3.55Å; Q2386-L2389 VanDerWaalsContact O-C 3.26Å; Q2386-L2389 WeakPolarHBondContact O-CA 3.25Å; Q2386-L2389 VanDerWaalsContact O-CB 3.24Å; Q2386-L2389 WeakPolarHBondContact O-CB 3.23Å; Q2386-L2389 PolarHBondContact O-N 3.01Å; I2387-L2389 VanDerWaalsContact C-N 3.34Å; I2387-L2389 PolarHBondContact O-N 3.4Å; L2389-T2391 VanDerWaalsContact C-N 3.29Å; L2389-T2391 PolarHBondContact O-N 3.02Å; L2389-H2392 PolarHBondContact O-N 3.35Å; L2389-H2392 VanDerWaalsContact O-N 3.12Å; L2389-I2393 HydrophobicContact CD1-CD1 4.01Å; L2389-I2393 VanDerWaalsContact CD1-CD1 3.46Å; L2389-I2393 HydrophobicContact CD1-CG1 4.2Å; L2389-I2393 HydrophobicContact CD2-CD1 4.13Å; L2389-I2393 HydrophobicContact CG-CD1 3.67Å; L2389-I2393 HydrophobicContact CG-CG1 4.24Å; L2389-I2393 WeakPolarHBondContact O-CA 3.38Å; L2389-I2393 WeakPolarHBondContact O-CB 3.39Å; L2389-I2393 WeakPolarHBondContact O-CD1 3.21Å; L2389-I2393 WeakPolarHBondContact O-CG1 3.39Å; L2389-I2393 PolarHBondContact O-N 3.11Å; L2389-M2422 HydrophobicContact CD1-CB 4.38Å; L2389-M2422 HydrophobicContact CD1-CG 4.08Å; L2389-T2425 HydrophobicContact CD1-CG2 3.95Å; L2389-T2425 HydrophobicContact CD2-CG2 3.91Å; L2389-T2425 HydrophobicContact CG-CG2 4.44Å; L2389-L2436 HydrophobicContact CD2-CD1 3.9Å; L2389-L2436 HydrophobicContact CD2-CD2 3.46Å; L2389-L2436 VanDerWaalsContact CD2-CD2 3.46Å; L2389-L2436 HydrophobicContact CD2-CG 4.25Å; L2389-F2442 HydrophobicContact CD2-CD1 4.03Å; L2389-F2442 HydrophobicContact CD2-CE1 4.06Å; L2389-L2443 HydrophobicContact CD1-CD2 3.61Å; L2389-L2443 HydrophobicContact CD1-CG 3.78Å; L2389-L2474 HydrophobicContact CD1-CD2 4.34Å; L2389-Q2481 HydrophobicContact CD2-CG 4.34Å |
| 2390 | F | 40.7 | Very low | 41.1 | Very low | 44.2 Ų | 44.2 | 59.2 Ų | 59.2 | 19% | 0.194 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -75.2 | -27.4 | -178.1 | -132.5 | -90.8 | 0 | 0 | 0 | 114 | E2361 M2362 Q2386 I2387 V2388 H2392 I2393 N2394 L2423 I2426 K2427 I2433 L2436 C2478 Q2481 F2482 I2485 | E2361-F2390 CarbonylContact O-C 3.41Å; E2361-F2390 WeakPolarHBondContact O-CA 3.34Å; M2362-F2390 VanDerWaalsContact N-C 3.3Å; Q2386-F2390 VanDerWaalsContact O-CB 3.28Å; Q2386-F2390 WeakPolarHBondContact O-CB 3.37Å; Q2386-F2390 WeakPolarHBondContact O-CD2 3.32Å; Q2386-F2390 WeakPolarHBondContact O-CG 3.36Å; Q2386-F2390 PolarHBondContact O-N 3.36Å; I2387-F2390 CarbonylContact O-C 3.42Å; I2387-F2390 VanDerWaalsContact O-CA 3.25Å; I2387-F2390 WeakPolarHBondContact O-CA 3.18Å; I2387-F2390 PolarHBondContact O-N 3.07Å; V2388-F2390 VanDerWaalsContact C-N 3.35Å; V2388-F2390 PolarHBondContact O-N 3.41Å; F2390-H2392 PolarHBondContact O-N 2.81Å; F2390-I2393 HydrophobicContact CB-CD1 4.45Å; F2390-I2393 HydrophobicContact CD1-CD1 3.45Å; F2390-I2393 VanDerWaalsContact CD1-CD1 3.45Å; F2390-I2393 HydrophobicContact CE1-CD1 3.98Å; F2390-I2393 HydrophobicContact CG-CD1 4.23Å; F2390-I2393 WeakPolarHBondContact O-CB 3.32Å; F2390-I2393 PolarHBondContact O-N 3.34Å; F2390-N2394 HydrophobicContact CB-CB 3.63Å; F2390-N2394 HydrophobicContact CD1-CB 3.48Å; F2390-N2394 VanDerWaalsContact CD1-CB 3.48Å; F2390-N2394 VanDerWaalsContact CD1-ND2 3.26Å; F2390-N2394 WeakPolarHBondContact CD1-ND2 3.28Å; F2390-N2394 HydrophobicContact CE1-CB 4.37Å; F2390-N2394 VanDerWaalsContact CE1-ND2 3.29Å; F2390-N2394 WeakPolarHBondContact CE1-ND2 3.39Å; F2390-N2394 HydrophobicContact CG-CB 3.84Å; F2390-N2394 VanDerWaalsContact CZ-ND2 3.25Å; F2390-N2394 WeakPolarHBondContact CZ-ND2 3.4Å; F2390-N2394 WeakPolarHBondContact O-CB 3.42Å; F2390-N2394 PolarHBondContact O-N 3.01Å; F2390-N2394 PolarHBondContact O-ND2 3.2Å; F2390-L2423 HydrophobicContact CE1-CB 4.16Å; F2390-L2423 WeakPolarHBondContact CE1-O 3.43Å; F2390-L2423 HydrophobicContact CZ-CB 4.3Å; F2390-L2423 HydrophobicContact CZ-CD2 4.27Å; F2390-L2423 WeakPolarHBondContact CZ-O 3.36Å; F2390-I2426 HydrophobicContact CE1-CG2 3.95Å; F2390-I2426 HydrophobicContact CZ-CG2 3.95Å; F2390-K2427 HydrophobicContact CD1-CB 4.35Å; F2390-K2427 HydrophobicContact CD1-CD 3.96Å; F2390-K2427 HydrophobicContact CD1-CG 4.45Å; F2390-K2427 HydrophobicContact CE1-CB 3.66Å; F2390-K2427 HydrophobicContact CE1-CD 3.96Å; F2390-K2427 HydrophobicContact CE1-CG 4.24Å; F2390-K2427 HydrophobicContact CZ-CB 4.02Å; F2390-I2433 HydrophobicContact CE2-CG1 4.32Å; F2390-L2436 HydrophobicContact CE2-CD1 4.04Å; F2390-L2436 HydrophobicContact CZ-CD1 3.74Å; F2390-C2478 HydrophobicContact CE2-CB 4.27Å; F2390-C2478 WeakPolarHBondContact CE2-O 3.47Å; F2390-Q2481 HydrophobicContact CD2-CB 4.13Å; F2390-Q2481 HydrophobicContact CE2-CB 4.47Å; F2390-F2482 HydrophobicContact CE2-CB 4.15Å; F2390-F2482 HydrophobicContact CZ-CB 4.3Å; F2390-F2482 HydrophobicContact CZ-CD2 4.1Å; F2390-I2485 HydrophobicContact CB-CD1 4.3Å; F2390-I2485 HydrophobicContact CG-CD1 4.35Å |
| 2391 | T | 39.5 | Very low | 42.1 | Very low | 66.4 Ų | 66.4 | 59.8 Ų | 59.8 | 41% | 0.407 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -77 | 0 | 169.3 | -10.6 | 0 | 0 | 0 | 0 | 116.2 | E2361 M2362 I2387 V2388 L2389 N2394 R2395 Q2481 | E2361-T2391 VanDerWaalsContact CB-CA 3.48Å; E2361-T2391 WeakPolarHBondContact CB-O 3.24Å; E2361-T2391 WeakPolarHBondContact CG-O 3.2Å; E2361-T2391 CarbonylContact O-C 3.54Å; E2361-T2391 WeakPolarHBondContact O-CA 3.13Å; E2361-T2391 PolarHBondContact O-N 2.94Å; M2362-T2391 VanDerWaalsContact CA-N 3.26Å; M2362-T2391 WeakPolarHBondContact CE-OG1 3.3Å; M2362-T2391 VanDerWaalsContact CG-O 3.22Å; M2362-T2391 WeakPolarHBondContact CG-O 3.46Å; M2362-T2391 VanDerWaalsContact CG-OG1 3.27Å; M2362-T2391 WeakPolarHBondContact CG-OG1 2.96Å; M2362-T2391 PolarHBondContact SD-OG1 3.41Å; I2387-T2391 HydrophobicContact CG2-CG2 3.73Å; I2387-T2391 WeakPolarHBondContact O-CB 3.32Å; I2387-T2391 PolarHBondContact O-N 3.36Å; I2387-T2391 VanDerWaalsContact O-N 3.1Å; I2387-T2391 PolarHBondContact O-OG1 3.07Å; V2388-T2391 WeakPolarHBondContact O-CB 3.38Å; V2388-T2391 PolarHBondContact O-N 3.36Å; V2388-T2391 VanDerWaalsContact O-N 3.16Å; L2389-T2391 VanDerWaalsContact C-N 3.29Å; L2389-T2391 PolarHBondContact O-N 3.02Å; T2391-N2394 PolarHBondContact O-N 3.5Å; T2391-R2395 VanDerWaalsContact CB-NH2 3.34Å; T2391-R2395 VanDerWaalsContact CG2-NH2 3.32Å; T2391-R2395 WeakPolarHBondContact O-CB 3.34Å; T2391-R2395 PolarHBondContact O-N 3.2Å; T2391-R2395 VanDerWaalsContact O-N 3.1Å; T2391-Q2481 PolarHBondContact OG1-NE2 3.38Å; T2391-Q2481 PolarHBondContact OG1-OE1 3.49Å |
| 2392 | H | 43.8 | Very low | 43 | Very low | 51.4 Ų | 51.4 | 59.6 Ų | 59.6 | 24% | 0.238 | 32% | 0.316 | C | S | . | . | H | α-helix | 0 | 0 | 0 | -68.5 | -76.5 | 0 | 0 | 0 | 117.8 | P2360 E2361 M2362 C2363 L2364 V2388 L2389 F2390 N2394 R2395 L2396 S2418 M2422 V2477 Q2481 | P2360-H2392 CarbonylContact O-C 3.55Å; E2361-H2392 WeakPolarHBondContact CA-O 3.34Å; M2362-H2392 VanDerWaalsContact C-CA 3.43Å; M2362-H2392 HydrophobicContact CB-CB 4.47Å; M2362-H2392 CarbonylContact O-C 3.55Å; C2363-H2392 HydrophobicContact CB-CB 4.11Å; L2364-H2392 WeakPolarHBondContact CD1-NE2 3.43Å; V2388-H2392 PolarHBondContact O-CD2 3.17Å; V2388-H2392 PolarHBondContact O-N 3.27Å; L2389-H2392 PolarHBondContact O-N 3.35Å; L2389-H2392 VanDerWaalsContact O-N 3.12Å; F2390-H2392 PolarHBondContact O-N 2.81Å; H2392-N2394 VanDerWaalsContact C-N 3.26Å; H2392-N2394 PolarHBondContact O-N 3.06Å; H2392-N2394 VanDerWaalsContact O-N 3.15Å; H2392-R2395 HydrophobicContact CB-CB 4.28Å; H2392-R2395 PolarHBondContact CE1-NH1 3.27Å; H2392-R2395 WeakPolarHBondContact ND1-CD 3.34Å; H2392-R2395 CarbonylContact O-C 3.47Å; H2392-R2395 WeakPolarHBondContact O-CA 3.35Å; H2392-R2395 WeakPolarHBondContact O-CB 3.26Å; H2392-R2395 PolarHBondContact O-N 3.02Å; H2392-L2396 HydrophobicContact CB-CD2 4.5Å; H2392-L2396 WeakPolarHBondContact ND1-CD1 3.4Å; H2392-L2396 WeakPolarHBondContact O-CB 3.3Å; H2392-L2396 PolarHBondContact O-N 2.99Å; H2392-S2418 PolarHBondContact ND1-OG 3.01Å; H2392-M2422 HydrophobicContact CB-CE 4.06Å; H2392-M2422 HydrophobicContact CB-CG 4.29Å; H2392-M2422 HydrophobicContact CB-SD 3.9Å; H2392-V2477 HydrophobicContact CB-CG1 4.05Å; H2392-V2477 WeakPolarHBondContact CD2-CG1 3.45Å; H2392-V2477 VanDerWaalsContact NE2-CG1 3.25Å; H2392-V2477 WeakPolarHBondContact NE2-CG1 3.37Å; H2392-V2477 PolarHBondContact NE2-O 3.4Å; H2392-Q2481 PolarHBondContact CD2-OE1 3.18Å; H2392-Q2481 VanDerWaalsContact NE2-CG 3.35Å; H2392-Q2481 WeakPolarHBondContact NE2-CG 3.46Å; H2392-Q2481 PolarHBondContact NE2-NE2 2.73Å; H2392-Q2481 PolarHBondContact NE2-OE1 2.84Å; H2392-Q2481 VanDerWaalsContact NE2-OE1 3.11Å | |
| 2393 | I | 47.4 | Very low | 43.5 | Very low | 11.2 Ų | 11.2 | 58.4 Ų | 58.4 | 6% | 0.057 | 31% | 0.311 | C | S | . | . | H | α-helix | 0 | -38.2 | 0 | -56 | 161.9 | 0 | 0 | 0 | 114.7 | P2360 E2361 M2362 L2389 F2390 R2395 L2396 K2397 F2420 M2422 L2423 F2446 L2474 V2477 C2478 Q2481 | P2360-I2393 CarbonylContact C-O 2.92Å; P2360-I2393 WeakPolarHBondContact CA-O 3.39Å; P2360-I2393 HydrophobicContact CB-CG2 4.12Å; P2360-I2393 WeakPolarHBondContact CB-O 3.2Å; P2360-I2393 WeakPolarHBondContact O-CA 3.49Å; E2361-I2393 VanDerWaalsContact C-CA 3.41Å; E2361-I2393 CarbonylContact O-C 3.43Å; E2361-I2393 PolarHBondContact O-N 2.77Å; M2362-I2393 PolarHBondContact O-N 2.82Å; L2389-I2393 HydrophobicContact CD1-CD1 4.01Å; L2389-I2393 VanDerWaalsContact CD1-CD1 3.46Å; L2389-I2393 HydrophobicContact CD1-CG1 4.2Å; L2389-I2393 HydrophobicContact CD2-CD1 4.13Å; L2389-I2393 HydrophobicContact CG-CD1 3.67Å; L2389-I2393 HydrophobicContact CG-CG1 4.24Å; L2389-I2393 WeakPolarHBondContact O-CA 3.38Å; L2389-I2393 WeakPolarHBondContact O-CB 3.39Å; L2389-I2393 WeakPolarHBondContact O-CD1 3.21Å; L2389-I2393 WeakPolarHBondContact O-CG1 3.39Å; L2389-I2393 PolarHBondContact O-N 3.11Å; F2390-I2393 HydrophobicContact CB-CD1 4.45Å; F2390-I2393 HydrophobicContact CD1-CD1 3.45Å; F2390-I2393 VanDerWaalsContact CD1-CD1 3.45Å; F2390-I2393 HydrophobicContact CE1-CD1 3.98Å; F2390-I2393 HydrophobicContact CG-CD1 4.23Å; F2390-I2393 WeakPolarHBondContact O-CB 3.32Å; F2390-I2393 PolarHBondContact O-N 3.34Å; I2393-R2395 VanDerWaalsContact C-N 3.3Å; I2393-R2395 PolarHBondContact O-N 3.14Å; I2393-L2396 PolarHBondContact O-N 3.36Å; I2393-K2397 WeakPolarHBondContact O-CB 3.37Å; I2393-K2397 PolarHBondContact O-N 3.13Å; I2393-F2420 HydrophobicContact CG1-CE1 4.3Å; I2393-F2420 HydrophobicContact CG2-CD1 4.15Å; I2393-F2420 HydrophobicContact CG2-CE1 3.85Å; I2393-M2422 WeakPolarHBondContact CA-SD 3.39Å; I2393-M2422 HydrophobicContact CB-SD 4.06Å; I2393-M2422 HydrophobicContact CG1-CG 4.21Å; I2393-M2422 HydrophobicContact CG1-SD 3.48Å; I2393-M2422 WeakPolarHBondContact CG1-SD 3.42Å; I2393-M2422 HydrophobicContact CG2-SD 4.34Å; I2393-L2423 HydrophobicContact CG2-CD2 4.37Å; I2393-F2446 HydrophobicContact CB-CE1 3.97Å; I2393-F2446 HydrophobicContact CB-CZ 4.35Å; I2393-F2446 HydrophobicContact CD1-CB 4.37Å; I2393-F2446 HydrophobicContact CD1-CD1 3.24Å; I2393-F2446 HydrophobicContact CD1-CD2 3.74Å; I2393-F2446 HydrophobicContact CD1-CE1 3.26Å; I2393-F2446 HydrophobicContact CD1-CE2 3.76Å; I2393-F2446 HydrophobicContact CD1-CG 3.5Å; I2393-F2446 VanDerWaalsContact CD1-CG 3.5Å; I2393-F2446 HydrophobicContact CD1-CZ 3.55Å; I2393-F2446 HydrophobicContact CG1-CD1 3.56Å; I2393-F2446 HydrophobicContact CG1-CE1 3.41Å; I2393-F2446 VanDerWaalsContact CG1-CE1 3.41Å; I2393-F2446 HydrophobicContact CG1-CG 4.31Å; I2393-F2446 HydrophobicContact CG1-CZ 4.08Å; I2393-F2446 HydrophobicContact CG2-CD1 4.34Å; I2393-F2446 HydrophobicContact CG2-CE1 3.31Å; I2393-F2446 HydrophobicContact CG2-CZ 3.44Å; I2393-F2446 VanDerWaalsContact CG2-CZ 3.44Å; I2393-L2474 HydrophobicContact CG2-CB 4.14Å; I2393-L2474 HydrophobicContact CG2-CD2 3.86Å; I2393-V2477 HydrophobicContact CD1-CG1 3.62Å; I2393-V2477 HydrophobicContact CG1-CG1 4.3Å; I2393-V2477 HydrophobicContact CG2-CG1 4.45Å; I2393-C2478 HydrophobicContact CG2-CB 4.36Å; I2393-C2478 WeakPolarHBondContact CG2-SG 3.13Å; I2393-Q2481 HydrophobicContact CD1-CG 4.34Å | |
| 2394 | N | 46.9 | Very low | 43.9 | Very low | 70.2 Ų | 70.2 | 61.1 Ų | 61.1 | 38% | 0.375 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -71.9 | -30 | 173.2 | -85.6 | -38.6 | 0 | 0 | 0 | 115.3 | P2359 P2360 E2361 F2390 T2391 H2392 L2396 K2397 A2398 C2478 | P2359-N2394 CarbonylContact C-O 3.37Å; P2359-N2394 WeakPolarHBondContact CD-O 3.37Å; P2359-N2394 WeakPolarHBondContact CG-O 3Å; P2359-N2394 CarbonylContact O-C 2.85Å; P2359-N2394 WeakPolarHBondContact O-CA 3.31Å; P2360-N2394 VanDerWaalsContact C-N 3.26Å; P2360-N2394 VanDerWaalsContact CA-CA 3.45Å; P2360-N2394 VanDerWaalsContact N-C 3.29Å; E2361-N2394 VanDerWaalsContact N-CA 3.28Å; E2361-N2394 VanDerWaalsContact O-CA 3.3Å; E2361-N2394 WeakPolarHBondContact O-CA 3.48Å; E2361-N2394 PolarHBondContact O-N 2.64Å; F2390-N2394 HydrophobicContact CB-CB 3.63Å; F2390-N2394 HydrophobicContact CD1-CB 3.48Å; F2390-N2394 VanDerWaalsContact CD1-CB 3.48Å; F2390-N2394 VanDerWaalsContact CD1-ND2 3.26Å; F2390-N2394 WeakPolarHBondContact CD1-ND2 3.28Å; F2390-N2394 HydrophobicContact CE1-CB 4.37Å; F2390-N2394 VanDerWaalsContact CE1-ND2 3.29Å; F2390-N2394 WeakPolarHBondContact CE1-ND2 3.39Å; F2390-N2394 HydrophobicContact CG-CB 3.84Å; F2390-N2394 VanDerWaalsContact CZ-ND2 3.25Å; F2390-N2394 WeakPolarHBondContact CZ-ND2 3.4Å; F2390-N2394 WeakPolarHBondContact O-CB 3.42Å; F2390-N2394 PolarHBondContact O-N 3.01Å; F2390-N2394 PolarHBondContact O-ND2 3.2Å; T2391-N2394 PolarHBondContact O-N 3.5Å; H2392-N2394 VanDerWaalsContact C-N 3.26Å; H2392-N2394 PolarHBondContact O-N 3.06Å; H2392-N2394 VanDerWaalsContact O-N 3.15Å; N2394-L2396 VanDerWaalsContact C-N 3.35Å; N2394-L2396 PolarHBondContact O-N 3.39Å; N2394-K2397 PolarHBondContact O-N 3.17Å; N2394-A2398 WeakPolarHBondContact O-CB 3.45Å; N2394-A2398 PolarHBondContact O-N 3.26Å; N2394-C2478 PolarHBondContact OD1-SG 3.09Å |
| 2395 | R | 46.4 | Very low | 44.2 | Very low | 133.8 Ų | 133.8 | 66.8 Ų | 66.8 | 51% | 0.505 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -79.7 | -35.8 | 173.1 | -168.4 | 166.3 | -176.2 | 169.6 | -5.7 | 114.3 | P2359 P2360 E2361 T2391 H2392 I2393 K2397 A2398 I2399 E2414 | P2359-R2395 HydrophobicContact CB-CB 4.43Å; P2359-R2395 HydrophobicContact CG-CB 4.02Å; P2360-R2395 VanDerWaalsContact N-C 3.34Å; E2361-R2395 VanDerWaalsContact CA-N 3.34Å; E2361-R2395 VanDerWaalsContact CB-CA 3.49Å; E2361-R2395 HydrophobicContact CB-CB 3.92Å; E2361-R2395 HydrophobicContact CB-CG 3.59Å; E2361-R2395 HydrophobicContact CG-CG 4.34Å; E2361-R2395 WeakPolarHBondContact OE1-CA 3.47Å; E2361-R2395 WeakPolarHBondContact OE1-CB 3.47Å; E2361-R2395 VanDerWaalsContact OE1-CD 3.25Å; E2361-R2395 WeakPolarHBondContact OE1-CD 3.27Å; E2361-R2395 WeakPolarHBondContact OE1-CG 3.41Å; E2361-R2395 IonicContact OE1-NH1 2.85Å; E2361-R2395 VanDerWaalsContact OE1-O 3.1Å; E2361-R2395 IonicContact OE2-CZ 2.63Å; E2361-R2395 IonicContact OE2-NH1 2.59Å; E2361-R2395 PolarHBondContact OE2-NH1 3.33Å; T2391-R2395 VanDerWaalsContact CB-NH2 3.34Å; T2391-R2395 VanDerWaalsContact CG2-NH2 3.32Å; T2391-R2395 WeakPolarHBondContact O-CB 3.34Å; T2391-R2395 PolarHBondContact O-N 3.2Å; T2391-R2395 VanDerWaalsContact O-N 3.1Å; H2392-R2395 HydrophobicContact CB-CB 4.28Å; H2392-R2395 PolarHBondContact CE1-NH1 3.27Å; H2392-R2395 WeakPolarHBondContact ND1-CD 3.34Å; H2392-R2395 CarbonylContact O-C 3.47Å; H2392-R2395 WeakPolarHBondContact O-CA 3.35Å; H2392-R2395 WeakPolarHBondContact O-CB 3.26Å; H2392-R2395 PolarHBondContact O-N 3.02Å; I2393-R2395 VanDerWaalsContact C-N 3.3Å; I2393-R2395 PolarHBondContact O-N 3.14Å; R2395-K2397 WeakPolarHBondContact O-CD 3.04Å; R2395-K2397 VanDerWaalsContact O-CG 3.28Å; R2395-K2397 WeakPolarHBondContact O-CG 3.25Å; R2395-K2397 PolarHBondContact O-N 2.67Å; R2395-A2398 PolarHBondContact O-N 2.94Å; R2395-I2399 HydrophobicContact CG-CD1 4.23Å; R2395-I2399 WeakPolarHBondContact O-CB 3.26Å; R2395-I2399 VanDerWaalsContact O-CD1 3.29Å; R2395-I2399 WeakPolarHBondContact O-CD1 3.43Å; R2395-I2399 VanDerWaalsContact O-CG1 3.25Å; R2395-I2399 WeakPolarHBondContact O-CG1 3.33Å; R2395-I2399 PolarHBondContact O-N 3.19Å; R2395-E2414 IonicContact CZ-OE2 3.46Å; R2395-E2414 IonicContact NH1-OE2 3.95Å; R2395-E2414 IonicContact NH2-OE2 2.95Å; R2395-E2414 PolarHBondContact NH2-OE2 2.7Å |
| 2396 | L | 49.7 | Very low | 44.2 | Very low | 19.6 Ų | 19.6 | 66.9 Ų | 66.9 | 10% | 0.103 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.6 | -32.6 | -179.6 | -148.1 | 107 | 0 | 0 | 0 | 113.6 | P2360 E2361 H2392 I2393 N2394 A2398 I2399 L2400 N2415 L2419 M2422 L2474 | P2360-L2396 HydrophobicContact CG-CB 4.42Å; P2360-L2396 WeakPolarHBondContact O-CA 3.21Å; P2360-L2396 WeakPolarHBondContact O-CB 3.41Å; P2360-L2396 PolarHBondContact O-N 3.05Å; E2361-L2396 HydrophobicContact CB-CB 4.09Å; E2361-L2396 HydrophobicContact CG-CB 3.61Å; E2361-L2396 HydrophobicContact CG-CD1 3.79Å; E2361-L2396 HydrophobicContact CG-CG 4.29Å; E2361-L2396 VanDerWaalsContact OE1-CA 3.23Å; E2361-L2396 WeakPolarHBondContact OE1-CA 2.9Å; E2361-L2396 PolarHBondContact OE1-N 2.79Å; H2392-L2396 HydrophobicContact CB-CD2 4.5Å; H2392-L2396 WeakPolarHBondContact ND1-CD1 3.4Å; H2392-L2396 WeakPolarHBondContact O-CB 3.3Å; H2392-L2396 PolarHBondContact O-N 2.99Å; I2393-L2396 PolarHBondContact O-N 3.36Å; N2394-L2396 VanDerWaalsContact C-N 3.35Å; N2394-L2396 PolarHBondContact O-N 3.39Å; L2396-A2398 PolarHBondContact O-N 2.77Å; L2396-I2399 HydrophobicContact CD1-CB 3.77Å; L2396-I2399 HydrophobicContact CD1-CD1 3.7Å; L2396-I2399 HydrophobicContact CD1-CG1 3.65Å; L2396-I2399 HydrophobicContact CG-CB 4.48Å; L2396-I2399 PolarHBondContact O-N 3.06Å; L2396-L2400 HydrophobicContact CD2-CD1 4.07Å; L2396-L2400 HydrophobicContact CD2-CG 4.44Å; L2396-L2400 HydrophobicContact CG-CD1 4.42Å; L2396-L2400 WeakPolarHBondContact O-CB 3.39Å; L2396-L2400 VanDerWaalsContact O-CG 3.28Å; L2396-L2400 WeakPolarHBondContact O-CG 3.46Å; L2396-L2400 PolarHBondContact O-N 3.03Å; L2396-N2415 WeakPolarHBondContact CD1-O 3.4Å; L2396-L2419 HydrophobicContact CD1-CB 3.99Å; L2396-L2419 HydrophobicContact CD1-CD1 3.83Å; L2396-L2419 HydrophobicContact CD2-CD1 3.74Å; L2396-L2419 HydrophobicContact CG-CD1 4.38Å; L2396-M2422 HydrophobicContact CB-CE 3.69Å; L2396-M2422 VanDerWaalsContact CB-CE 3.43Å; L2396-M2422 HydrophobicContact CD1-CE 3.63Å; L2396-M2422 VanDerWaalsContact CD1-CE 3.5Å; L2396-M2422 HydrophobicContact CD2-CE 3.75Å; L2396-M2422 HydrophobicContact CG-CE 4.04Å; L2396-L2474 HydrophobicContact CD2-CD1 3.66Å; L2396-L2474 VanDerWaalsContact CD2-CD1 3.46Å; L2396-L2474 HydrophobicContact CD2-CD2 4.22Å; L2396-L2474 HydrophobicContact CD2-CG 4.5Å |
| 2397 | K | 52.5 | Low | 44.2 | Very low | 52.8 Ų | 52.8 | 72.5 Ų | 72.5 | 23% | 0.23 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -56.4 | -45.7 | 168.7 | 166.8 | 158.8 | 163.9 | 157.8 | 0 | 111 | P2359 I2393 N2394 R2395 I2399 L2400 E2401 F2420 E2475 | P2359-K2397 HydrophobicContact CB-CD 3.53Å; P2359-K2397 HydrophobicContact CB-CG 3.4Å; P2359-K2397 HydrophobicContact CG-CD 4.29Å; I2393-K2397 WeakPolarHBondContact O-CB 3.37Å; I2393-K2397 PolarHBondContact O-N 3.13Å; N2394-K2397 PolarHBondContact O-N 3.17Å; R2395-K2397 WeakPolarHBondContact O-CD 3.04Å; R2395-K2397 VanDerWaalsContact O-CG 3.28Å; R2395-K2397 WeakPolarHBondContact O-CG 3.25Å; R2395-K2397 PolarHBondContact O-N 2.67Å; K2397-I2399 VanDerWaalsContact C-N 3.28Å; K2397-I2399 PolarHBondContact O-N 3.04Å; K2397-L2400 PolarHBondContact O-N 3.16Å; K2397-L2400 VanDerWaalsContact O-N 3.15Å; K2397-E2401 HydrophobicContact CB-CG 3.93Å; K2397-E2401 WeakPolarHBondContact CE-OE1 3.38Å; K2397-E2401 WeakPolarHBondContact CE-OE2 3.32Å; K2397-E2401 HydrophobicContact CG-CG 4.37Å; K2397-E2401 WeakPolarHBondContact CG-OE1 3.31Å; K2397-E2401 IonicContact NZ-OE1 3.32Å; K2397-E2401 WeakPolarHBondContact O-CA 3.12Å; K2397-E2401 WeakPolarHBondContact O-CB 3.27Å; K2397-E2401 VanDerWaalsContact O-CG 3.26Å; K2397-E2401 WeakPolarHBondContact O-CG 3.37Å; K2397-E2401 PolarHBondContact O-N 3.03Å; K2397-F2420 HydrophobicContact CB-CE1 3.78Å; K2397-F2420 HydrophobicContact CB-CZ 3.94Å; K2397-F2420 HydrophobicContact CG-CE1 3.5Å; K2397-F2420 HydrophobicContact CG-CZ 3.81Å; K2397-E2475 IonicContact NZ-OE1 3.47Å; K2397-E2475 PolarHBondContact NZ-OE1 3.07Å |
| 2398 | A | 49.4 | Very low | 44.2 | Very low | 50 Ų | 50 | 72.1 Ų | 72.1 | 41% | 0.413 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.1 | -37.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | E2361 N2394 R2395 L2396 E2401 S2402 | E2361-A2398 VanDerWaalsContact OE1-CB 3.29Å; E2361-A2398 WeakPolarHBondContact OE1-CB 3.42Å; N2394-A2398 WeakPolarHBondContact O-CB 3.45Å; N2394-A2398 PolarHBondContact O-N 3.26Å; R2395-A2398 PolarHBondContact O-N 2.94Å; L2396-A2398 PolarHBondContact O-N 2.77Å; A2398-E2401 PolarHBondContact O-N 3.14Å; A2398-S2402 VanDerWaalsContact O-CB 3.27Å; A2398-S2402 WeakPolarHBondContact O-CB 3.39Å; A2398-S2402 PolarHBondContact O-N 3.32Å; A2398-S2402 PolarHBondContact O-OG 3.19Å |
| 2399 | I | 48.7 | Very low | 44.3 | Very low | 49.6 Ų | 49.6 | 72 Ų | 72 | 25% | 0.254 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -72.7 | -43.3 | 176.2 | -68.4 | 168.6 | 0 | 0 | 0 | 111.3 | R2395 L2396 K2397 E2401 S2402 T2403 N2415 I2473 | R2395-I2399 HydrophobicContact CG-CD1 4.23Å; R2395-I2399 WeakPolarHBondContact O-CB 3.26Å; R2395-I2399 VanDerWaalsContact O-CD1 3.29Å; R2395-I2399 WeakPolarHBondContact O-CD1 3.43Å; R2395-I2399 VanDerWaalsContact O-CG1 3.25Å; R2395-I2399 WeakPolarHBondContact O-CG1 3.33Å; R2395-I2399 PolarHBondContact O-N 3.19Å; L2396-I2399 HydrophobicContact CD1-CB 3.77Å; L2396-I2399 HydrophobicContact CD1-CD1 3.7Å; L2396-I2399 HydrophobicContact CD1-CG1 3.65Å; L2396-I2399 HydrophobicContact CG-CB 4.48Å; L2396-I2399 PolarHBondContact O-N 3.06Å; K2397-I2399 VanDerWaalsContact C-N 3.28Å; K2397-I2399 PolarHBondContact O-N 3.04Å; I2399-E2401 VanDerWaalsContact C-N 3.29Å; I2399-E2401 PolarHBondContact O-N 3.25Å; I2399-S2402 WeakPolarHBondContact CA-OG 3.28Å; I2399-S2402 CarbonylContact O-C 3.53Å; I2399-S2402 PolarHBondContact O-N 3.15Å; I2399-S2402 VanDerWaalsContact O-N 3.09Å; I2399-S2402 PolarHBondContact O-OG 3.07Å; I2399-T2403 HydrophobicContact CG2-CG2 4.1Å; I2399-T2403 PolarHBondContact O-N 3.03Å; I2399-T2403 PolarHBondContact O-OG1 3.13Å; I2399-N2415 WeakPolarHBondContact CD1-OD1 3.47Å; I2399-I2473 HydrophobicContact CD1-CG2 3.89Å; I2399-I2473 HydrophobicContact CG2-CD1 4.29Å |
| 2400 | L | 51.8 | Low | 44.2 | Very low | 27.2 Ų | 27.2 | 75.1 Ų | 75.1 | 14% | 0.142 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -67 | -33.8 | 177.2 | -69.2 | 167.7 | 0 | 0 | 0 | 112 | L2396 K2397 S2402 T2403 I2408 I2462 K2467 M2470 Q2471 L2474 | L2396-L2400 HydrophobicContact CD2-CD1 4.07Å; L2396-L2400 HydrophobicContact CD2-CG 4.44Å; L2396-L2400 HydrophobicContact CG-CD1 4.42Å; L2396-L2400 WeakPolarHBondContact O-CB 3.39Å; L2396-L2400 VanDerWaalsContact O-CG 3.28Å; L2396-L2400 WeakPolarHBondContact O-CG 3.46Å; L2396-L2400 PolarHBondContact O-N 3.03Å; K2397-L2400 PolarHBondContact O-N 3.16Å; K2397-L2400 VanDerWaalsContact O-N 3.15Å; L2400-S2402 PolarHBondContact O-N 3.37Å; L2400-T2403 PolarHBondContact O-N 3Å; L2400-T2403 VanDerWaalsContact O-N 3.15Å; L2400-T2403 PolarHBondContact O-OG1 3.17Å; L2400-I2408 HydrophobicContact CD2-CD1 4.23Å; L2400-I2462 HydrophobicContact CD2-CD1 3.89Å; L2400-K2467 HydrophobicContact CD2-CG 4.3Å; L2400-K2467 WeakPolarHBondContact O-CE 3.4Å; L2400-K2467 PolarHBondContact O-NZ 3.14Å; L2400-K2467 VanDerWaalsContact O-NZ 3.13Å; L2400-M2470 HydrophobicContact CD1-CB 4.13Å; L2400-M2470 HydrophobicContact CD2-CE 4.46Å; L2400-Q2471 VanDerWaalsContact C-NE2 3.3Å; L2400-Q2471 HydrophobicContact CB-CG 3.82Å; L2400-Q2471 HydrophobicContact CD1-CG 4.28Å; L2400-Q2471 PolarHBondContact O-NE2 2.85Å; L2400-L2474 HydrophobicContact CD1-CD1 3.42Å; L2400-L2474 VanDerWaalsContact CD1-CD1 3.44Å |
| 2401 | E | 50.2 | Low | 44.3 | Very low | 122.6 Ų | 122.6 | 74.7 Ų | 74.7 | 57% | 0.573 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -78.9 | -23.1 | 174.2 | -70.4 | 173.6 | 164.1 | 0 | 0 | 112.9 | K2397 A2398 I2399 T2403 | K2397-E2401 HydrophobicContact CB-CG 3.93Å; K2397-E2401 WeakPolarHBondContact CE-OE1 3.38Å; K2397-E2401 WeakPolarHBondContact CE-OE2 3.32Å; K2397-E2401 HydrophobicContact CG-CG 4.37Å; K2397-E2401 WeakPolarHBondContact CG-OE1 3.31Å; K2397-E2401 IonicContact NZ-OE1 3.32Å; K2397-E2401 WeakPolarHBondContact O-CA 3.12Å; K2397-E2401 WeakPolarHBondContact O-CB 3.27Å; K2397-E2401 VanDerWaalsContact O-CG 3.26Å; K2397-E2401 WeakPolarHBondContact O-CG 3.37Å; K2397-E2401 PolarHBondContact O-N 3.03Å; A2398-E2401 PolarHBondContact O-N 3.14Å; I2399-E2401 VanDerWaalsContact C-N 3.29Å; I2399-E2401 PolarHBondContact O-N 3.25Å; E2401-T2403 VanDerWaalsContact C-N 3.34Å; E2401-T2403 PolarHBondContact O-N 3.43Å |
| 2402 | S | 47.5 | Very low | 44.5 | Very low | 94 Ų | 94 | 75 Ų | 75 | 66% | 0.657 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -95.1 | -12.4 | 178.4 | 69.6 | 0 | 0 | 0 | 0 | 114.7 | A2398 I2399 L2400 D2404 | A2398-S2402 VanDerWaalsContact O-CB 3.27Å; A2398-S2402 WeakPolarHBondContact O-CB 3.39Å; A2398-S2402 PolarHBondContact O-N 3.32Å; A2398-S2402 PolarHBondContact O-OG 3.19Å; I2399-S2402 WeakPolarHBondContact CA-OG 3.28Å; I2399-S2402 CarbonylContact O-C 3.53Å; I2399-S2402 PolarHBondContact O-N 3.15Å; I2399-S2402 VanDerWaalsContact O-N 3.09Å; I2399-S2402 PolarHBondContact O-OG 3.07Å; L2400-S2402 PolarHBondContact O-N 3.37Å; S2402-D2404 PolarHBondContact O-N 3.06Å |
| 2403 | T | 43.6 | Very low | 44.2 | Very low | 47 Ų | 47 | 76.3 Ų | 76.3 | 29% | 0.288 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -77 | 134 | 171.4 | 21.6 | 0 | 0 | 0 | 0 | 109.9 | I2399 L2400 E2401 Q2405 I2408 K2467 | I2399-T2403 HydrophobicContact CG2-CG2 4.1Å; I2399-T2403 PolarHBondContact O-N 3.03Å; I2399-T2403 PolarHBondContact O-OG1 3.13Å; L2400-T2403 PolarHBondContact O-N 3Å; L2400-T2403 VanDerWaalsContact O-N 3.15Å; L2400-T2403 PolarHBondContact O-OG1 3.17Å; E2401-T2403 VanDerWaalsContact C-N 3.34Å; E2401-T2403 PolarHBondContact O-N 3.43Å; T2403-Q2405 PolarHBondContact O-N 3.01Å; T2403-I2408 HydrophobicContact CG2-CD1 4.16Å; T2403-I2408 HydrophobicContact CG2-CG1 4.31Å; T2403-I2408 WeakPolarHBondContact OG1-CD1 3.46Å; T2403-K2467 VanDerWaalsContact C-NZ 3.27Å; T2403-K2467 PolarHBondContact O-NZ 3.22Å; T2403-K2467 PolarHBondContact OG1-NZ 3.28Å |
| 2404 | D | 42.3 | Very low | 43.7 | Very low | 117.8 Ų | 117.8 | 81.6 Ų | 81.6 | 63% | 0.63 | 45% | 0.447 | S | S | * | . | trans | -61.3 | 152.4 | -176.6 | -129.8 | -26 | 0 | 0 | 0 | 112.2 | S2402 S2406 E2407 K2467 | S2402-D2404 PolarHBondContact O-N 3.06Å; D2404-S2406 VanDerWaalsContact C-N 3.31Å; D2404-S2406 PolarHBondContact O-N 3.25Å; D2404-S2406 PolarHBondContact OD2-OG 3.41Å; D2404-E2407 HydrophobicContact CB-CG 4.38Å; D2404-E2407 PolarHBondContact O-N 3.14Å; D2404-K2467 PolarHBondContact O-NZ 2.81Å; D2404-K2467 VanDerWaalsContact O-NZ 3.11Å | ||
| 2405 | Q | 39.3 | Very low | 43.5 | Very low | 175.2 Ų | 175.2 | 80.1 Ų | 80.1 | 82% | 0.819 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -67.8 | -0.8 | -174 | -66.5 | -169.5 | -1.9 | 0 | 0 | 114.1 | T2403 S2464 | T2403-Q2405 PolarHBondContact O-N 3.01Å; Q2405-S2464 WeakPolarHBondContact O-CB 3.28Å |
| 2406 | S | 35.8 | Very low | 43.3 | Very low | 89.2 Ų | 89.2 | 75.1 Ų | 75.1 | 62% | 0.624 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -89.4 | -1 | 176.3 | 55.2 | 0 | 0 | 0 | 0 | 113.1 | D2404 I2408 | D2404-S2406 VanDerWaalsContact C-N 3.31Å; D2404-S2406 PolarHBondContact O-N 3.25Å; D2404-S2406 PolarHBondContact OD2-OG 3.41Å; S2406-I2408 WeakPolarHBondContact CB-O 3.42Å; S2406-I2408 PolarHBondContact O-N 2.99Å; S2406-I2408 PolarHBondContact OG-O 3.47Å |
| 2407 | E | 38.3 | Very low | 42.9 | Very low | 135.4 Ų | 135.4 | 80 Ų | 80 | 63% | 0.633 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -78.4 | 19.6 | 179.6 | -66.6 | -165.4 | 147.2 | 0 | 0 | 113.9 | D2404 C2409 N2463 S2464 K2469 | D2404-E2407 HydrophobicContact CB-CG 4.38Å; D2404-E2407 PolarHBondContact O-N 3.14Å; E2407-C2409 PolarHBondContact O-N 2.84Å; E2407-N2463 CarbonylContact O-C 3.45Å; E2407-N2463 WeakPolarHBondContact O-CA 3.13Å; E2407-S2464 PolarHBondContact O-N 3.25Å; E2407-K2469 IonicContact OE1-NZ 3.36Å; E2407-K2469 IonicContact OE2-NZ 3.04Å; E2407-K2469 PolarHBondContact OE2-NZ 3.24Å |
| 2408 | I | 37.1 | Very low | 42.4 | Very low | 76.6 Ų | 76.6 | 78.7 Ų | 78.7 | 39% | 0.393 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -107.5 | 122.6 | 179.5 | -63.6 | 177 | 0 | 0 | 0 | 108.8 | L2400 T2403 S2406 P2410 F2460 V2461 L2498 | L2400-I2408 HydrophobicContact CD2-CD1 4.23Å; T2403-I2408 HydrophobicContact CG2-CD1 4.16Å; T2403-I2408 HydrophobicContact CG2-CG1 4.31Å; T2403-I2408 WeakPolarHBondContact OG1-CD1 3.46Å; S2406-I2408 WeakPolarHBondContact CB-O 3.42Å; S2406-I2408 PolarHBondContact O-N 2.99Å; S2406-I2408 PolarHBondContact OG-O 3.47Å; I2408-P2410 WeakPolarHBondContact O-CD 3.42Å; I2408-F2460 HydrophobicContact CG2-CB 3.82Å; I2408-F2460 HydrophobicContact CG2-CD1 3.75Å; I2408-F2460 HydrophobicContact CG2-CG 4.12Å; I2408-V2461 HydrophobicContact CB-CG1 4.33Å; I2408-V2461 HydrophobicContact CD1-CG1 4.41Å; I2408-V2461 HydrophobicContact CG1-CG1 4.27Å; I2408-V2461 HydrophobicContact CG2-CB 3.89Å; I2408-V2461 HydrophobicContact CG2-CG1 3.23Å; I2408-V2461 HydrophobicContact CG2-CG2 3.69Å; I2408-L2498 HydrophobicContact CD1-CD2 3.94Å |
| 2409 | C | 38.7 | Very low | 42.2 | Very low | 54 Ų | 54 | 77.6 Ų | 77.6 | 37% | 0.365 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 121.8 | 176.4 | -160.6 | 0 | 0 | 0 | 0 | 109.7 | E2407 L2411 V2461 I2462 K2467 | E2407-C2409 PolarHBondContact O-N 2.84Å; C2409-L2411 PolarHBondContact O-N 3.18Å; C2409-V2461 HydrophobicContact CB-CB 4.17Å; C2409-V2461 HydrophobicContact CB-CG1 4.49Å; C2409-V2461 PolarHBondContact O-N 3.22Å; C2409-I2462 HydrophobicContact CB-CG1 4.28Å; C2409-I2462 PolarHBondContact N-O 3.31Å; C2409-I2462 WeakPolarHBondContact O-CG1 3.3Å; C2409-I2462 PolarHBondContact O-N 3.27Å; C2409-K2467 HydrophobicContact CB-CD 4.25Å |
| 2410 | P | 39.5 | Very low | 42.1 | Very low | 89.8 Ų | 89.8 | 78 Ų | 78 | 58% | 0.583 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 117.5 | -175.6 | 29.3 | -33.9 | 0 | 0 | 0 | 111.5 | I2408 N2412 P2459 F2460 | I2408-P2410 WeakPolarHBondContact O-CD 3.42Å; P2410-N2412 VanDerWaalsContact C-N 3.28Å; P2410-N2412 PolarHBondContact O-N 3.08Å; P2410-P2459 HydrophobicContact CB-CB 4.2Å; P2410-F2460 HydrophobicContact CB-CD1 4.19Å; P2410-F2460 HydrophobicContact CB-CE1 4.07Å |
| 2411 | L | 41.3 | Very low | 41.7 | Very low | 34.4 Ų | 34.4 | 79 Ų | 79 | 18% | 0.18 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 118.2 | 159.6 | -66.9 | 168.6 | 0 | 0 | 0 | 108.5 | C2409 N2415 T2416 L2419 T2458 P2459 F2460 V2461 I2462 | C2409-L2411 PolarHBondContact O-N 3.18Å; L2411-N2415 HydrophobicContact CB-CB 4.35Å; L2411-N2415 HydrophobicContact CD2-CB 3.97Å; L2411-T2416 VanDerWaalsContact CB-OG1 3.25Å; L2411-T2416 WeakPolarHBondContact CB-OG1 3.25Å; L2411-T2416 PolarHBondContact O-OG1 3.23Å; L2411-L2419 HydrophobicContact CD1-CD2 3.84Å; L2411-T2458 VanDerWaalsContact O-CG2 3.3Å; L2411-T2458 WeakPolarHBondContact O-CG2 3.43Å; L2411-P2459 HydrophobicContact CB-CG 4.12Å; L2411-P2459 WeakPolarHBondContact CB-O 3.24Å; L2411-P2459 HydrophobicContact CD1-CB 4.05Å; L2411-P2459 HydrophobicContact CD1-CG 3.91Å; L2411-P2459 WeakPolarHBondContact CG-O 3.44Å; L2411-P2459 PolarHBondContact N-O 3.16Å; L2411-P2459 WeakPolarHBondContact O-CA 3.26Å; L2411-P2459 WeakPolarHBondContact O-CB 3.45Å; L2411-F2460 HydrophobicContact CB-CB 4.34Å; L2411-F2460 HydrophobicContact CD1-CD1 4.23Å; L2411-F2460 HydrophobicContact CD2-CE1 3.69Å; L2411-F2460 HydrophobicContact CD2-CZ 3.7Å; L2411-F2460 HydrophobicContact CG-CE1 4.1Å; L2411-F2460 PolarHBondContact N-O 3.2Å; L2411-F2460 PolarHBondContact O-N 3.29Å; L2411-F2460 VanDerWaalsContact O-N 3.1Å; L2411-V2461 HydrophobicContact CD1-CG2 3.93Å; L2411-V2461 HydrophobicContact CD2-CG2 3.75Å; L2411-V2461 HydrophobicContact CG-CG2 3.83Å; L2411-I2462 HydrophobicContact CD1-CD1 3.71Å; L2411-I2462 HydrophobicContact CD1-CG1 4.43Å; L2411-I2462 HydrophobicContact CD2-CD1 4.46Å; L2411-I2462 HydrophobicContact CG-CD1 4.04Å; L2411-I2462 HydrophobicContact CG-CG1 4.35Å |
| 2412 | N | 43.5 | Very low | 41.4 | Very low | 73.8 Ų | 73.8 | 74.7 Ų | 74.7 | 40% | 0.395 | 42% | 0.419 | S | S | . | . | trans | -68.9 | 166.1 | 169 | 66.6 | -19 | 0 | 0 | 0 | 110.2 | P2410 E2414 N2415 T2416 | P2410-N2412 VanDerWaalsContact C-N 3.28Å; P2410-N2412 PolarHBondContact O-N 3.08Å; N2412-E2414 VanDerWaalsContact C-N 3.28Å; N2412-E2414 PolarHBondContact ND2-OE2 2.87Å; N2412-E2414 PolarHBondContact O-N 3.09Å; N2412-E2414 PolarHBondContact OD1-N 2.91Å; N2412-N2415 PolarHBondContact ND2-OD1 3.01Å; N2412-N2415 WeakPolarHBondContact O-CB 3.22Å; N2412-N2415 PolarHBondContact O-N 3.16Å; N2412-N2415 VanDerWaalsContact O-N 3.11Å; N2412-N2415 VanDerWaalsContact OD1-CB 3.24Å; N2412-N2415 WeakPolarHBondContact OD1-CB 3.47Å; N2412-N2415 PolarHBondContact OD1-N 3.04Å; N2412-N2415 PolarHBondContact OD1-ND2 3.04Å; N2412-N2415 VanDerWaalsContact OD1-ND2 3.13Å; N2412-N2415 PolarHBondContact OD1-OD1 3.27Å; N2412-T2416 VanDerWaalsContact O-CB 3.31Å; N2412-T2416 WeakPolarHBondContact O-CB 3.18Å; N2412-T2416 PolarHBondContact O-N 3.12Å; N2412-T2416 PolarHBondContact O-OG1 2.97Å | ||
| 2413 | A | 38.5 | Very low | 41.3 | Very low | 78.8 Ų | 78.8 | 72 Ų | 72 | 65% | 0.651 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -54.5 | -46.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N2415 T2416 E2417 | A2413-N2415 VanDerWaalsContact C-N 3.33Å; A2413-N2415 PolarHBondContact O-N 3.01Å; A2413-T2416 WeakPolarHBondContact O-CB 3.45Å; A2413-T2416 PolarHBondContact O-N 3.03Å; A2413-T2416 VanDerWaalsContact O-N 3.08Å; A2413-E2417 WeakPolarHBondContact O-CB 3.32Å; A2413-E2417 WeakPolarHBondContact O-CG 3.3Å; A2413-E2417 PolarHBondContact O-N 3.19Å |
| 2414 | E | 37.4 | Very low | 41.3 | Very low | 122.6 Ų | 122.6 | 74.1 Ų | 74.1 | 57% | 0.573 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -61 | -38.7 | 179 | -72.8 | 176.1 | 140.8 | 0 | 0 | 113.5 | K2015 R2395 N2412 T2416 E2417 S2418 | K2015-E2414 WeakPolarHBondContact CE-OE2 3.42Å; K2015-E2414 IonicContact NZ-OE2 3.25Å; K2015-E2414 PolarHBondContact NZ-OE2 2.65Å; R2395-E2414 IonicContact CZ-OE2 3.46Å; R2395-E2414 IonicContact NH1-OE2 3.95Å; R2395-E2414 IonicContact NH2-OE2 2.95Å; R2395-E2414 PolarHBondContact NH2-OE2 2.7Å; N2412-E2414 VanDerWaalsContact C-N 3.28Å; N2412-E2414 PolarHBondContact ND2-OE2 2.87Å; N2412-E2414 PolarHBondContact O-N 3.09Å; N2412-E2414 PolarHBondContact OD1-N 2.91Å; E2414-T2416 VanDerWaalsContact C-N 3.33Å; E2414-E2417 PolarHBondContact O-N 3.38Å; E2414-S2418 WeakPolarHBondContact O-CA 3.39Å; E2414-S2418 WeakPolarHBondContact O-CB 3.31Å; E2414-S2418 PolarHBondContact O-N 3.28Å; E2414-S2418 VanDerWaalsContact O-N 3.09Å; E2414-S2418 PolarHBondContact O-OG 3.2Å; E2414-S2418 VanDerWaalsContact O-OG 3.14Å |
| 2415 | N | 42 | Very low | 41.2 | Very low | 38.2 Ų | 38.2 | 70.5 Ų | 70.5 | 20% | 0.204 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -77 | -31.8 | 178.1 | -68.5 | -8.2 | 0 | 0 | 0 | 111.3 | D2013 K2015 L2396 I2399 L2411 N2412 A2413 S2418 L2419 | D2013-N2415 PolarHBondContact OD2-ND2 3.01Å; D2013-N2415 PolarHBondContact OD2-OD1 2.82Å; D2013-N2415 VanDerWaalsContact OD2-OD1 3.09Å; K2015-N2415 PolarHBondContact NZ-OD1 3Å; L2396-N2415 WeakPolarHBondContact CD1-O 3.4Å; I2399-N2415 WeakPolarHBondContact CD1-OD1 3.47Å; L2411-N2415 HydrophobicContact CB-CB 4.35Å; L2411-N2415 HydrophobicContact CD2-CB 3.97Å; N2412-N2415 PolarHBondContact ND2-OD1 3.01Å; N2412-N2415 WeakPolarHBondContact O-CB 3.22Å; N2412-N2415 PolarHBondContact O-N 3.16Å; N2412-N2415 VanDerWaalsContact O-N 3.11Å; N2412-N2415 VanDerWaalsContact OD1-CB 3.24Å; N2412-N2415 WeakPolarHBondContact OD1-CB 3.47Å; N2412-N2415 PolarHBondContact OD1-N 3.04Å; N2412-N2415 PolarHBondContact OD1-ND2 3.04Å; N2412-N2415 VanDerWaalsContact OD1-ND2 3.13Å; N2412-N2415 PolarHBondContact OD1-OD1 3.27Å; A2413-N2415 VanDerWaalsContact C-N 3.33Å; A2413-N2415 PolarHBondContact O-N 3.01Å; N2415-S2418 PolarHBondContact O-N 2.95Å; N2415-L2419 VanDerWaalsContact O-CB 3.24Å; N2415-L2419 WeakPolarHBondContact O-CB 3.37Å; N2415-L2419 PolarHBondContact O-N 3.06Å |
| 2416 | T | 42.4 | Very low | 41.4 | Very low | 28.8 Ų | 28.8 | 63.4 Ų | 63.4 | 18% | 0.177 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.7 | -44.1 | 173.8 | -48.1 | 0 | 0 | 0 | 0 | 110.3 | L2411 N2412 A2413 E2414 L2419 F2420 P2459 F2460 | L2411-T2416 VanDerWaalsContact CB-OG1 3.25Å; L2411-T2416 WeakPolarHBondContact CB-OG1 3.25Å; L2411-T2416 PolarHBondContact O-OG1 3.23Å; N2412-T2416 VanDerWaalsContact O-CB 3.31Å; N2412-T2416 WeakPolarHBondContact O-CB 3.18Å; N2412-T2416 PolarHBondContact O-N 3.12Å; N2412-T2416 PolarHBondContact O-OG1 2.97Å; A2413-T2416 WeakPolarHBondContact O-CB 3.45Å; A2413-T2416 PolarHBondContact O-N 3.03Å; A2413-T2416 VanDerWaalsContact O-N 3.08Å; E2414-T2416 VanDerWaalsContact C-N 3.33Å; T2416-L2419 WeakPolarHBondContact O-CB 3.47Å; T2416-L2419 PolarHBondContact O-N 3.1Å; T2416-L2419 VanDerWaalsContact O-N 3.16Å; T2416-F2420 HydrophobicContact CG2-CD2 3.98Å; T2416-F2420 HydrophobicContact CG2-CE2 3.75Å; T2416-F2420 WeakPolarHBondContact O-CB 3.41Å; T2416-F2420 WeakPolarHBondContact O-CD2 3.31Å; T2416-F2420 WeakPolarHBondContact O-CG 3.5Å; T2416-F2420 PolarHBondContact O-N 3.13Å; T2416-P2459 HydrophobicContact CG2-CG 3.91Å; T2416-F2460 HydrophobicContact CG2-CB 3.99Å; T2416-F2460 HydrophobicContact CG2-CG 4.42Å |
| 2417 | E | 40.7 | Very low | 41.8 | Very low | 121.8 Ų | 121.8 | 65 Ų | 65 | 57% | 0.569 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.5 | -48 | 170.8 | -138.1 | 176.2 | 178 | 0 | 0 | 111 | F2357 A2413 E2414 L2419 F2420 C2421 | F2357-E2417 HydrophobicContact CE1-CG 4.23Å; F2357-E2417 HydrophobicContact CZ-CG 3.93Å; A2413-E2417 WeakPolarHBondContact O-CB 3.32Å; A2413-E2417 WeakPolarHBondContact O-CG 3.3Å; A2413-E2417 PolarHBondContact O-N 3.19Å; E2414-E2417 PolarHBondContact O-N 3.38Å; E2417-L2419 VanDerWaalsContact C-N 3.29Å; E2417-L2419 CarbonylContact O-C 3.49Å; E2417-L2419 PolarHBondContact O-N 3.06Å; E2417-F2420 CarbonylContact O-C 3.58Å; E2417-F2420 WeakPolarHBondContact O-CA 3.4Å; E2417-F2420 WeakPolarHBondContact O-CB 3.4Å; E2417-F2420 PolarHBondContact O-N 3.11Å; E2417-F2420 VanDerWaalsContact O-N 3.12Å; E2417-C2421 WeakPolarHBondContact O-CA 3.23Å; E2417-C2421 WeakPolarHBondContact O-CB 3.36Å; E2417-C2421 PolarHBondContact O-N 2.9Å; E2417-C2421 VanDerWaalsContact O-N 3.09Å; E2417-C2421 PolarHBondContact O-SG 3.26Å; E2417-C2421 VanDerWaalsContact O-SG 3.39Å |
| 2418 | S | 42.6 | Very low | 41.9 | Very low | 25.6 Ų | 25.6 | 63.8 Ų | 63.8 | 18% | 0.179 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.3 | -35.9 | 176.9 | -65.3 | 0 | 0 | 0 | 0 | 113.2 | D2013 K2356 H2392 E2414 N2415 C2421 M2422 | D2013-S2418 WeakPolarHBondContact OD1-CB 3.47Å; K2356-S2418 PolarHBondContact NZ-OG 3.18Å; H2392-S2418 PolarHBondContact ND1-OG 3.01Å; E2414-S2418 WeakPolarHBondContact O-CA 3.39Å; E2414-S2418 WeakPolarHBondContact O-CB 3.31Å; E2414-S2418 PolarHBondContact O-N 3.28Å; E2414-S2418 VanDerWaalsContact O-N 3.09Å; E2414-S2418 PolarHBondContact O-OG 3.2Å; E2414-S2418 VanDerWaalsContact O-OG 3.14Å; N2415-S2418 PolarHBondContact O-N 2.95Å; S2418-C2421 CarbonylContact O-C 3.53Å; S2418-C2421 WeakPolarHBondContact O-CA 3.37Å; S2418-M2422 WeakPolarHBondContact O-CB 3.14Å; S2418-M2422 VanDerWaalsContact O-CE 3.24Å; S2418-M2422 WeakPolarHBondContact O-CE 3.14Å; S2418-M2422 VanDerWaalsContact O-CG 3.28Å; S2418-M2422 WeakPolarHBondContact O-CG 3.13Å; S2418-M2422 PolarHBondContact O-N 2.97Å |
| 2419 | L | 45.9 | Very low | 42.3 | Very low | 26.6 Ų | 26.6 | 62.1 Ų | 62.1 | 14% | 0.139 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.5 | -45.4 | 172.6 | -172.1 | 78 | 0 | 0 | 0 | 111.5 | Y2010 L2396 L2411 N2415 T2416 E2417 M2422 L2423 F2446 L2448 V2450 M2470 | Y2010-L2419 HydrophobicContact CD1-CD1 3.79Å; Y2010-L2419 HydrophobicContact CE1-CD1 3.61Å; Y2010-L2419 HydrophobicContact CE2-CD1 4.38Å; Y2010-L2419 HydrophobicContact CG-CD1 4.3Å; L2396-L2419 HydrophobicContact CD1-CB 3.99Å; L2396-L2419 HydrophobicContact CD1-CD1 3.83Å; L2396-L2419 HydrophobicContact CD2-CD1 3.74Å; L2396-L2419 HydrophobicContact CG-CD1 4.38Å; L2411-L2419 HydrophobicContact CD1-CD2 3.84Å; N2415-L2419 VanDerWaalsContact O-CB 3.24Å; N2415-L2419 WeakPolarHBondContact O-CB 3.37Å; N2415-L2419 PolarHBondContact O-N 3.06Å; T2416-L2419 WeakPolarHBondContact O-CB 3.47Å; T2416-L2419 PolarHBondContact O-N 3.1Å; T2416-L2419 VanDerWaalsContact O-N 3.16Å; E2417-L2419 VanDerWaalsContact C-N 3.29Å; E2417-L2419 CarbonylContact O-C 3.49Å; E2417-L2419 PolarHBondContact O-N 3.06Å; L2419-M2422 HydrophobicContact CD1-CE 4.35Å; L2419-M2422 PolarHBondContact O-N 2.93Å; L2419-L2423 HydrophobicContact CD1-CD1 4.13Å; L2419-L2423 HydrophobicContact CD1-CG 4.49Å; L2419-L2423 HydrophobicContact CD2-CD1 4.16Å; L2419-L2423 HydrophobicContact CG-CD1 4.04Å; L2419-L2423 HydrophobicContact CG-CG 4.46Å; L2419-L2423 VanDerWaalsContact O-CB 3.31Å; L2419-L2423 WeakPolarHBondContact O-CB 3.41Å; L2419-L2423 WeakPolarHBondContact O-CD1 3.38Å; L2419-L2423 VanDerWaalsContact O-CG 3.26Å; L2419-L2423 WeakPolarHBondContact O-CG 3.1Å; L2419-L2423 PolarHBondContact O-N 3.19Å; L2419-L2423 VanDerWaalsContact O-N 3.08Å; L2419-F2446 HydrophobicContact CD2-CZ 3.82Å; L2419-L2448 HydrophobicContact CD1-CD1 4.22Å; L2419-V2450 HydrophobicContact CD2-CG1 4.43Å; L2419-V2450 HydrophobicContact CD2-CG2 3.85Å; L2419-M2470 HydrophobicContact CD1-CE 3.9Å; L2419-M2470 HydrophobicContact CD1-SD 4.38Å; L2419-M2470 HydrophobicContact CD2-CE 3.98Å; L2419-M2470 HydrophobicContact CG-CE 4.33Å |
| 2420 | F | 46.3 | Very low | 42.5 | Very low | 57.8 Ų | 57.8 | 65.4 Ų | 65.4 | 25% | 0.254 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.9 | -47.1 | 177.3 | -81.9 | -58.1 | 0 | 0 | 0 | 112.8 | N2355 F2357 V2358 I2393 K2397 T2416 E2417 M2422 L2423 E2424 V2450 | N2355-F2420 CarbonylContact O-C 3.57Å; F2357-F2420 CarbonylContact C-O 3.47Å; F2357-F2420 HydrophobicContact CD1-CB 3.72Å; F2357-F2420 HydrophobicContact CD1-CD2 4.28Å; F2357-F2420 HydrophobicContact CD1-CG 4.29Å; F2357-F2420 HydrophobicContact CE1-CB 4.21Å; F2357-F2420 HydrophobicContact CE1-CD2 4.27Å; V2358-F2420 HydrophobicContact CB-CD1 4.33Å; V2358-F2420 HydrophobicContact CG2-CB 4.09Å; V2358-F2420 HydrophobicContact CG2-CD1 3.47Å; V2358-F2420 VanDerWaalsContact CG2-CD1 3.47Å; V2358-F2420 HydrophobicContact CG2-CD2 3.95Å; V2358-F2420 HydrophobicContact CG2-CE1 3.8Å; V2358-F2420 HydrophobicContact CG2-CE2 4.2Å; V2358-F2420 HydrophobicContact CG2-CG 3.58Å; V2358-F2420 HydrophobicContact CG2-CZ 4.14Å; V2358-F2420 PolarHBondContact N-O 2.95Å; V2358-F2420 VanDerWaalsContact N-O 3.09Å; I2393-F2420 HydrophobicContact CG1-CE1 4.3Å; I2393-F2420 HydrophobicContact CG2-CD1 4.15Å; I2393-F2420 HydrophobicContact CG2-CE1 3.85Å; K2397-F2420 HydrophobicContact CB-CE1 3.78Å; K2397-F2420 HydrophobicContact CB-CZ 3.94Å; K2397-F2420 HydrophobicContact CG-CE1 3.5Å; K2397-F2420 HydrophobicContact CG-CZ 3.81Å; T2416-F2420 HydrophobicContact CG2-CD2 3.98Å; T2416-F2420 HydrophobicContact CG2-CE2 3.75Å; T2416-F2420 WeakPolarHBondContact O-CB 3.41Å; T2416-F2420 WeakPolarHBondContact O-CD2 3.31Å; T2416-F2420 WeakPolarHBondContact O-CG 3.5Å; T2416-F2420 PolarHBondContact O-N 3.13Å; E2417-F2420 CarbonylContact O-C 3.58Å; E2417-F2420 WeakPolarHBondContact O-CA 3.4Å; E2417-F2420 WeakPolarHBondContact O-CB 3.4Å; E2417-F2420 PolarHBondContact O-N 3.11Å; E2417-F2420 VanDerWaalsContact O-N 3.12Å; F2420-M2422 VanDerWaalsContact C-N 3.34Å; F2420-M2422 PolarHBondContact O-N 3.2Å; F2420-L2423 HydrophobicContact CD1-CD1 4.34Å; F2420-L2423 CarbonylContact O-C 3.49Å; F2420-L2423 WeakPolarHBondContact O-CA 3.24Å; F2420-L2423 VanDerWaalsContact O-CB 3.3Å; F2420-L2423 WeakPolarHBondContact O-CB 3.41Å; F2420-L2423 PolarHBondContact O-N 3.07Å; F2420-L2423 VanDerWaalsContact O-N 3.17Å; F2420-E2424 WeakPolarHBondContact O-CB 3.35Å; F2420-E2424 VanDerWaalsContact O-CG 3.3Å; F2420-E2424 WeakPolarHBondContact O-CG 2.83Å; F2420-E2424 PolarHBondContact O-N 2.95Å; F2420-V2450 HydrophobicContact CE1-CG1 3.86Å; F2420-V2450 HydrophobicContact CE2-CG1 4.36Å; F2420-V2450 HydrophobicContact CZ-CG1 3.44Å; F2420-V2450 VanDerWaalsContact CZ-CG1 3.44Å |
| 2421 | C | 42.8 | Very low | 42.5 | Very low | 48.6 Ų | 48.6 | 65 Ų | 65 | 33% | 0.328 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -46.2 | -49.7 | 161 | -62.3 | 0 | 0 | 0 | 0 | 112.7 | N2355 K2356 E2417 S2418 L2423 E2424 T2425 | N2355-C2421 CarbonylContact C-O 3.59Å; N2355-C2421 VanDerWaalsContact C-O 3.28Å; N2355-C2421 CarbonylContact O-C 3.56Å; N2355-C2421 PolarHBondContact O-N 3Å; N2355-C2421 VanDerWaalsContact O-O 3.12Å; K2356-C2421 VanDerWaalsContact C-SG 3.56Å; K2356-C2421 WeakPolarHBondContact CA-SG 3.3Å; K2356-C2421 HydrophobicContact CB-CB 3.42Å; K2356-C2421 VanDerWaalsContact CB-CB 3.42Å; K2356-C2421 WeakPolarHBondContact CB-SG 3.3Å; K2356-C2421 HydrophobicContact CD-CB 3.24Å; K2356-C2421 WeakPolarHBondContact CE-O 3.32Å; K2356-C2421 HydrophobicContact CG-CB 3.47Å; K2356-C2421 VanDerWaalsContact CG-CB 3.47Å; E2417-C2421 WeakPolarHBondContact O-CA 3.23Å; E2417-C2421 WeakPolarHBondContact O-CB 3.36Å; E2417-C2421 PolarHBondContact O-N 2.9Å; E2417-C2421 VanDerWaalsContact O-N 3.09Å; E2417-C2421 PolarHBondContact O-SG 3.26Å; E2417-C2421 VanDerWaalsContact O-SG 3.39Å; S2418-C2421 CarbonylContact O-C 3.53Å; S2418-C2421 WeakPolarHBondContact O-CA 3.37Å; C2421-L2423 VanDerWaalsContact C-N 3.31Å; C2421-L2423 PolarHBondContact O-N 3.24Å; C2421-E2424 CarbonylContact O-C 3.31Å; C2421-E2424 PolarHBondContact O-N 3.1Å; C2421-E2424 VanDerWaalsContact O-N 3.15Å; C2421-T2425 VanDerWaalsContact O-CB 3.28Å; C2421-T2425 WeakPolarHBondContact O-CB 3.47Å; C2421-T2425 PolarHBondContact O-N 3.02Å; C2421-T2425 PolarHBondContact O-OG1 2.97Å |
| 2422 | M | 44.5 | Very low | 42.4 | Very low | 31.8 Ų | 31.8 | 65.2 Ų | 65.2 | 16% | 0.157 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -73.2 | -30.7 | 176.2 | -79 | -174.4 | -84.3 | 0 | 0 | 111.8 | R2011 N2355 L2389 H2392 I2393 L2396 S2418 L2419 F2420 E2424 T2425 I2426 F2446 L2474 | R2011-M2422 HydrophobicContact CB-CE 3.78Å; R2011-M2422 HydrophobicContact CB-SD 4.45Å; R2011-M2422 HydrophobicContact CG-CE 3.83Å; R2011-M2422 HydrophobicContact CG-SD 3.83Å; R2011-M2422 VanDerWaalsContact CZ-O 3.27Å; R2011-M2422 VanDerWaalsContact NH1-CB 3.27Å; R2011-M2422 PolarHBondContact NH1-O 2.88Å; R2011-M2422 PolarHBondContact NH2-O 3.03Å; N2355-M2422 PolarHBondContact ND2-O 3.1Å; N2355-M2422 PolarHBondContact O-N 3.4Å; L2389-M2422 HydrophobicContact CD1-CB 4.38Å; L2389-M2422 HydrophobicContact CD1-CG 4.08Å; H2392-M2422 HydrophobicContact CB-CE 4.06Å; H2392-M2422 HydrophobicContact CB-CG 4.29Å; H2392-M2422 HydrophobicContact CB-SD 3.9Å; I2393-M2422 WeakPolarHBondContact CA-SD 3.39Å; I2393-M2422 HydrophobicContact CB-SD 4.06Å; I2393-M2422 HydrophobicContact CG1-CG 4.21Å; I2393-M2422 HydrophobicContact CG1-SD 3.48Å; I2393-M2422 WeakPolarHBondContact CG1-SD 3.42Å; I2393-M2422 HydrophobicContact CG2-SD 4.34Å; L2396-M2422 HydrophobicContact CB-CE 3.69Å; L2396-M2422 VanDerWaalsContact CB-CE 3.43Å; L2396-M2422 HydrophobicContact CD1-CE 3.63Å; L2396-M2422 VanDerWaalsContact CD1-CE 3.5Å; L2396-M2422 HydrophobicContact CD2-CE 3.75Å; L2396-M2422 HydrophobicContact CG-CE 4.04Å; S2418-M2422 WeakPolarHBondContact O-CB 3.14Å; S2418-M2422 VanDerWaalsContact O-CE 3.24Å; S2418-M2422 WeakPolarHBondContact O-CE 3.14Å; S2418-M2422 VanDerWaalsContact O-CG 3.28Å; S2418-M2422 WeakPolarHBondContact O-CG 3.13Å; S2418-M2422 PolarHBondContact O-N 2.97Å; L2419-M2422 HydrophobicContact CD1-CE 4.35Å; L2419-M2422 PolarHBondContact O-N 2.93Å; F2420-M2422 VanDerWaalsContact C-N 3.34Å; F2420-M2422 PolarHBondContact O-N 3.2Å; M2422-E2424 VanDerWaalsContact C-N 3.3Å; M2422-E2424 PolarHBondContact O-N 2.91Å; M2422-T2425 PolarHBondContact O-N 3.22Å; M2422-I2426 VanDerWaalsContact O-CB 3.29Å; M2422-I2426 WeakPolarHBondContact O-CB 3.33Å; M2422-I2426 WeakPolarHBondContact O-CD1 3.3Å; M2422-I2426 VanDerWaalsContact O-CG1 3.24Å; M2422-I2426 WeakPolarHBondContact O-CG1 3.4Å; M2422-I2426 PolarHBondContact O-N 3.05Å; M2422-F2446 HydrophobicContact CE-CZ 4.08Å; M2422-F2446 HydrophobicContact SD-CE2 4.41Å; M2422-F2446 HydrophobicContact SD-CZ 3.87Å; M2422-L2474 HydrophobicContact CE-CD2 3.99Å; M2422-L2474 HydrophobicContact SD-CD2 3.56Å; M2422-L2474 VanDerWaalsContact SD-CD2 3.56Å |
| 2423 | L | 45.2 | Very low | 42.2 | Very low | 38.2 Ų | 38.2 | 64.1 Ų | 64.1 | 20% | 0.2 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -77.2 | -31.9 | 177.8 | -69.6 | 165.7 | 0 | 0 | 0 | 112.7 | N2355 P2360 F2390 I2393 L2419 F2420 C2421 K2427 F2446 | N2355-L2423 VanDerWaalsContact ND2-CA 3.32Å; N2355-L2423 WeakPolarHBondContact ND2-CA 3.48Å; N2355-L2423 PolarHBondContact ND2-N 2.81Å; N2355-L2423 PolarHBondContact O-N 2.85Å; P2360-L2423 HydrophobicContact CB-CD1 3.38Å; P2360-L2423 HydrophobicContact CB-CD2 3.68Å; P2360-L2423 HydrophobicContact CB-CG 4.13Å; P2360-L2423 HydrophobicContact CG-CD1 3.52Å; F2390-L2423 HydrophobicContact CE1-CB 4.16Å; F2390-L2423 WeakPolarHBondContact CE1-O 3.43Å; F2390-L2423 HydrophobicContact CZ-CB 4.3Å; F2390-L2423 HydrophobicContact CZ-CD2 4.27Å; F2390-L2423 WeakPolarHBondContact CZ-O 3.36Å; I2393-L2423 HydrophobicContact CG2-CD2 4.37Å; L2419-L2423 HydrophobicContact CD1-CD1 4.13Å; L2419-L2423 HydrophobicContact CD1-CG 4.49Å; L2419-L2423 HydrophobicContact CD2-CD1 4.16Å; L2419-L2423 HydrophobicContact CG-CD1 4.04Å; L2419-L2423 HydrophobicContact CG-CG 4.46Å; L2419-L2423 VanDerWaalsContact O-CB 3.31Å; L2419-L2423 WeakPolarHBondContact O-CB 3.41Å; L2419-L2423 WeakPolarHBondContact O-CD1 3.38Å; L2419-L2423 VanDerWaalsContact O-CG 3.26Å; L2419-L2423 WeakPolarHBondContact O-CG 3.1Å; L2419-L2423 PolarHBondContact O-N 3.19Å; L2419-L2423 VanDerWaalsContact O-N 3.08Å; F2420-L2423 HydrophobicContact CD1-CD1 4.34Å; F2420-L2423 CarbonylContact O-C 3.49Å; F2420-L2423 WeakPolarHBondContact O-CA 3.24Å; F2420-L2423 VanDerWaalsContact O-CB 3.3Å; F2420-L2423 WeakPolarHBondContact O-CB 3.41Å; F2420-L2423 PolarHBondContact O-N 3.07Å; F2420-L2423 VanDerWaalsContact O-N 3.17Å; C2421-L2423 VanDerWaalsContact C-N 3.31Å; C2421-L2423 PolarHBondContact O-N 3.24Å; L2423-K2427 WeakPolarHBondContact O-CB 3.35Å; L2423-K2427 PolarHBondContact O-N 3.04Å; L2423-F2446 HydrophobicContact CD1-CD1 4.18Å; L2423-F2446 HydrophobicContact CD1-CE1 3.25Å; L2423-F2446 HydrophobicContact CD1-CE2 4.48Å; L2423-F2446 HydrophobicContact CD1-CZ 3.53Å; L2423-F2446 HydrophobicContact CD2-CD1 4.32Å; L2423-F2446 HydrophobicContact CD2-CE1 3.55Å; L2423-F2446 HydrophobicContact CD2-CE2 3.8Å; L2423-F2446 HydrophobicContact CD2-CZ 3.24Å; L2423-F2446 HydrophobicContact CG-CE1 4.02Å; L2423-F2446 HydrophobicContact CG-CZ 3.99Å |
| 2424 | E | 42.4 | Very low | 42.3 | Very low | 90.6 Ų | 90.6 | 64.8 Ų | 64.8 | 42% | 0.423 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -73 | -36.9 | 176.8 | -151.8 | 177.4 | -171.1 | 0 | 0 | 113 | L2354 N2355 F2357 F2420 C2421 M2422 K2427 N2428 | L2354-E2424 CarbonylContact O-C 3.58Å; L2354-E2424 WeakPolarHBondContact O-CB 3.46Å; L2354-E2424 WeakPolarHBondContact O-CG 3.22Å; N2355-E2424 VanDerWaalsContact C-CB 3.47Å; N2355-E2424 PolarHBondContact ND2-N 2.9Å; N2355-E2424 WeakPolarHBondContact O-CB 3.37Å; N2355-E2424 PolarHBondContact O-N 3.36Å; F2357-E2424 PolarHBondContact N-OE2 2.82Å; F2357-E2424 WeakPolarHBondContact O-CB 3.48Å; F2357-E2424 WeakPolarHBondContact O-CG 3.34Å; F2420-E2424 WeakPolarHBondContact O-CB 3.35Å; F2420-E2424 VanDerWaalsContact O-CG 3.3Å; F2420-E2424 WeakPolarHBondContact O-CG 2.83Å; F2420-E2424 PolarHBondContact O-N 2.95Å; C2421-E2424 CarbonylContact O-C 3.31Å; C2421-E2424 PolarHBondContact O-N 3.1Å; C2421-E2424 VanDerWaalsContact O-N 3.15Å; M2422-E2424 VanDerWaalsContact C-N 3.3Å; M2422-E2424 PolarHBondContact O-N 2.91Å; E2424-K2427 HydrophobicContact CG-CD 4.45Å; E2424-K2427 CarbonylContact O-C 3.56Å; E2424-K2427 VanDerWaalsContact O-C 3.24Å; E2424-K2427 WeakPolarHBondContact O-CA 3.37Å; E2424-K2427 WeakPolarHBondContact O-CB 3.12Å; E2424-K2427 PolarHBondContact O-N 2.98Å; E2424-K2427 IonicContact OE1-NZ 3.24Å; E2424-K2427 PolarHBondContact OE1-NZ 2.99Å; E2424-N2428 WeakPolarHBondContact CG-ND2 3.34Å; E2424-N2428 VanDerWaalsContact O-CB 3.28Å; E2424-N2428 WeakPolarHBondContact O-CB 2.71Å; E2424-N2428 VanDerWaalsContact O-CG 3.28Å; E2424-N2428 PolarHBondContact O-N 3.2Å; E2424-N2428 PolarHBondContact O-ND2 3.29Å; E2424-N2428 PolarHBondContact O-OD1 2.19Å |
| 2425 | T | 42 | Very low | 42.4 | Very low | 42.2 Ų | 42.2 | 62.9 Ų | 62.9 | 26% | 0.259 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -72.6 | -39.9 | 174.6 | -33.1 | 0 | 0 | 0 | 0 | 111.4 | L2354 N2355 L2389 C2421 M2422 K2427 N2428 Q2429 | L2354-T2425 HydrophobicContact CB-CG2 3.7Å; L2354-T2425 PolarHBondContact O-N 3.07Å; N2355-T2425 WeakPolarHBondContact CA-OG1 3.36Å; N2355-T2425 WeakPolarHBondContact CB-OG1 3.29Å; N2355-T2425 VanDerWaalsContact CG-N 3.26Å; N2355-T2425 PolarHBondContact N-OG1 3.37Å; N2355-T2425 PolarHBondContact ND2-N 3.02Å; N2355-T2425 PolarHBondContact OD1-OG1 2.72Å; L2389-T2425 HydrophobicContact CD1-CG2 3.95Å; L2389-T2425 HydrophobicContact CD2-CG2 3.91Å; L2389-T2425 HydrophobicContact CG-CG2 4.44Å; C2421-T2425 VanDerWaalsContact O-CB 3.28Å; C2421-T2425 WeakPolarHBondContact O-CB 3.47Å; C2421-T2425 PolarHBondContact O-N 3.02Å; C2421-T2425 PolarHBondContact O-OG1 2.97Å; M2422-T2425 PolarHBondContact O-N 3.22Å; T2425-K2427 VanDerWaalsContact C-N 3.32Å; T2425-K2427 PolarHBondContact O-N 3.22Å; T2425-N2428 HydrophobicContact CG2-CB 4Å; T2425-N2428 CarbonylContact O-C 3.3Å; T2425-N2428 PolarHBondContact O-N 3.22Å; T2425-N2428 VanDerWaalsContact O-N 3.12Å; T2425-Q2429 HydrophobicContact CG2-CG 4.02Å; T2425-Q2429 WeakPolarHBondContact O-CA 3.3Å; T2425-Q2429 WeakPolarHBondContact O-CB 3.49Å; T2425-Q2429 WeakPolarHBondContact O-CG 3.44Å; T2425-Q2429 PolarHBondContact O-N 3.07Å; T2425-Q2429 VanDerWaalsContact O-N 3.16Å |
| 2426 | I | 43.3 | Very low | 42.2 | Very low | 27 Ų | 27 | 62 Ų | 62 | 14% | 0.138 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.6 | -35.6 | 172.1 | -68.5 | 168.1 | 0 | 0 | 0 | 110.8 | N2355 F2390 M2422 N2428 Q2429 F2432 I2433 L2436 V2477 | N2355-I2426 PolarHBondContact ND2-N 2.73Å; N2355-I2426 VanDerWaalsContact ND2-N 3.18Å; F2390-I2426 HydrophobicContact CE1-CG2 3.95Å; F2390-I2426 HydrophobicContact CZ-CG2 3.95Å; M2422-I2426 VanDerWaalsContact O-CB 3.29Å; M2422-I2426 WeakPolarHBondContact O-CB 3.33Å; M2422-I2426 WeakPolarHBondContact O-CD1 3.3Å; M2422-I2426 VanDerWaalsContact O-CG1 3.24Å; M2422-I2426 WeakPolarHBondContact O-CG1 3.4Å; M2422-I2426 PolarHBondContact O-N 3.05Å; I2426-N2428 VanDerWaalsContact C-N 3.27Å; I2426-N2428 PolarHBondContact O-N 2.88Å; I2426-Q2429 PolarHBondContact O-N 2.71Å; I2426-Q2429 VanDerWaalsContact O-N 3.14Å; I2426-F2432 HydrophobicContact CB-CD1 4.36Å; I2426-F2432 HydrophobicContact CD1-CE1 4.27Å; I2426-F2432 HydrophobicContact CD1-CZ 4.29Å; I2426-F2432 HydrophobicContact CG1-CD1 4.15Å; I2426-F2432 HydrophobicContact CG1-CD2 4.34Å; I2426-F2432 HydrophobicContact CG1-CE1 3.98Å; I2426-F2432 HydrophobicContact CG1-CE2 4.17Å; I2426-F2432 HydrophobicContact CG1-CG 4.33Å; I2426-F2432 HydrophobicContact CG1-CZ 3.99Å; I2426-F2432 HydrophobicContact CG2-CB 4.04Å; I2426-F2432 HydrophobicContact CG2-CD1 4.01Å; I2426-F2432 HydrophobicContact CG2-CE1 4.19Å; I2426-F2432 HydrophobicContact CG2-CG 4.22Å; I2426-I2433 HydrophobicContact CG2-CG1 4.43Å; I2426-L2436 HydrophobicContact CD1-CD1 4.16Å; I2426-L2436 HydrophobicContact CG1-CD1 4.16Å; I2426-L2436 HydrophobicContact CG2-CD1 3.85Å; I2426-V2477 HydrophobicContact CD1-CG1 4.22Å; I2426-V2477 HydrophobicContact CD1-CG2 4.4Å |
| 2427 | K | 42.5 | Very low | 42.1 | Very low | 123.4 Ų | 123.4 | 65.5 Ų | 65.5 | 54% | 0.537 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -70.5 | -22.6 | 175.5 | 170 | -173.9 | 167.8 | -159.8 | 0 | 113.3 | F2357 V2358 F2390 L2423 E2424 T2425 I2433 | F2357-K2427 PolarHBondContact O-NZ 2.75Å; V2358-K2427 PolarHBondContact O-NZ 3.48Å; F2390-K2427 HydrophobicContact CD1-CB 4.35Å; F2390-K2427 HydrophobicContact CD1-CD 3.96Å; F2390-K2427 HydrophobicContact CD1-CG 4.45Å; F2390-K2427 HydrophobicContact CE1-CB 3.66Å; F2390-K2427 HydrophobicContact CE1-CD 3.96Å; F2390-K2427 HydrophobicContact CE1-CG 4.24Å; F2390-K2427 HydrophobicContact CZ-CB 4.02Å; L2423-K2427 WeakPolarHBondContact O-CB 3.35Å; L2423-K2427 PolarHBondContact O-N 3.04Å; E2424-K2427 HydrophobicContact CG-CD 4.45Å; E2424-K2427 CarbonylContact O-C 3.56Å; E2424-K2427 VanDerWaalsContact O-C 3.24Å; E2424-K2427 WeakPolarHBondContact O-CA 3.37Å; E2424-K2427 WeakPolarHBondContact O-CB 3.12Å; E2424-K2427 PolarHBondContact O-N 2.98Å; E2424-K2427 IonicContact OE1-NZ 3.24Å; E2424-K2427 PolarHBondContact OE1-NZ 2.99Å; T2425-K2427 VanDerWaalsContact C-N 3.32Å; T2425-K2427 PolarHBondContact O-N 3.22Å; K2427-I2433 VanDerWaalsContact O-CD1 3.28Å; K2427-I2433 WeakPolarHBondContact O-CD1 3.27Å; K2427-I2433 WeakPolarHBondContact O-CG1 3.39Å |
| 2428 | N | 42.4 | Very low | 42.2 | Very low | 108.6 Ų | 108.6 | 65.4 Ų | 65.4 | 58% | 0.581 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -102.4 | -13.6 | -177.9 | -65.9 | -23.6 | 0 | 0 | 0 | 113.5 | Q2319 L2354 E2424 T2425 I2426 | Q2319-N2428 PolarHBondContact OE1-O 3.33Å; L2354-N2428 PolarHBondContact O-ND2 3.22Å; E2424-N2428 WeakPolarHBondContact CG-ND2 3.34Å; E2424-N2428 VanDerWaalsContact O-CB 3.28Å; E2424-N2428 WeakPolarHBondContact O-CB 2.71Å; E2424-N2428 VanDerWaalsContact O-CG 3.28Å; E2424-N2428 PolarHBondContact O-N 3.2Å; E2424-N2428 PolarHBondContact O-ND2 3.29Å; E2424-N2428 PolarHBondContact O-OD1 2.19Å; T2425-N2428 HydrophobicContact CG2-CB 4Å; T2425-N2428 CarbonylContact O-C 3.3Å; T2425-N2428 PolarHBondContact O-N 3.22Å; T2425-N2428 VanDerWaalsContact O-N 3.12Å; I2426-N2428 VanDerWaalsContact C-N 3.27Å; I2426-N2428 PolarHBondContact O-N 2.88Å |
| 2429 | Q | 43.7 | Very low | 42.2 | Very low | 42.2 Ų | 42.2 | 67 Ų | 67 | 20% | 0.197 | 33% | 0.332 | C | S | . | . | trans | -93.9 | 106.5 | 174.6 | -69 | -157.8 | -19.1 | 0 | 0 | 109.8 | H2351 T2425 I2426 D2431 F2432 I2433 | H2351-Q2429 PolarHBondContact ND1-NE2 3.4Å; H2351-Q2429 PolarHBondContact O-NE2 3.2Å; T2425-Q2429 HydrophobicContact CG2-CG 4.02Å; T2425-Q2429 WeakPolarHBondContact O-CA 3.3Å; T2425-Q2429 WeakPolarHBondContact O-CB 3.49Å; T2425-Q2429 WeakPolarHBondContact O-CG 3.44Å; T2425-Q2429 PolarHBondContact O-N 3.07Å; T2425-Q2429 VanDerWaalsContact O-N 3.16Å; I2426-Q2429 PolarHBondContact O-N 2.71Å; I2426-Q2429 VanDerWaalsContact O-N 3.14Å; Q2429-D2431 VanDerWaalsContact C-N 3.32Å; Q2429-D2431 PolarHBondContact O-N 3.1Å; Q2429-F2432 HydrophobicContact CB-CB 4.14Å; Q2429-F2432 HydrophobicContact CB-CD2 3.99Å; Q2429-F2432 HydrophobicContact CB-CG 4.42Å; Q2429-F2432 HydrophobicContact CG-CD2 4.44Å; Q2429-F2432 PolarHBondContact O-N 3.01Å; Q2429-F2432 VanDerWaalsContact O-N 3.11Å; Q2429-I2433 WeakPolarHBondContact O-CG1 3.2Å; Q2429-I2433 PolarHBondContact O-N 3.23Å; Q2429-I2433 VanDerWaalsContact O-N 3.12Å | ||
| 2430 | K | 42.9 | Very low | 41.9 | Very low | 122.6 Ų | 122.6 | 71.5 Ų | 71.5 | 53% | 0.533 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.6 | -40.7 | -179.1 | -83.6 | 179.4 | 165.8 | 179.3 | 0 | 112.1 | E2186 E2190 A2314 L2315 T2318 F2432 I2433 E2434 | E2186-K2430 HydrophobicContact CB-CB 3.81Å; E2186-K2430 HydrophobicContact CB-CD 4.08Å; E2186-K2430 HydrophobicContact CG-CB 3.8Å; E2186-K2430 VanDerWaalsContact O-CD 3.25Å; E2186-K2430 WeakPolarHBondContact O-CD 3.27Å; E2186-K2430 WeakPolarHBondContact OE1-CA 3.15Å; E2186-K2430 VanDerWaalsContact OE1-CB 3.28Å; E2186-K2430 WeakPolarHBondContact OE1-CB 3.05Å; E2186-K2430 PolarHBondContact OE1-N 2.18Å; E2190-K2430 WeakPolarHBondContact OE2-CE 3.32Å; E2190-K2430 IonicContact OE2-NZ 2.66Å; E2190-K2430 PolarHBondContact OE2-NZ 2.85Å; A2314-K2430 PolarHBondContact O-NZ 3.5Å; L2315-K2430 HydrophobicContact CB-CB 3.77Å; L2315-K2430 HydrophobicContact CB-CD 4.45Å; L2315-K2430 HydrophobicContact CB-CG 4.39Å; L2315-K2430 HydrophobicContact CD2-CB 4.01Å; L2315-K2430 HydrophobicContact CD2-CG 4.38Å; L2315-K2430 WeakPolarHBondContact CD2-O 3.35Å; L2315-K2430 HydrophobicContact CG-CB 3.58Å; L2315-K2430 HydrophobicContact CG-CD 4.09Å; L2315-K2430 HydrophobicContact CG-CG 3.81Å; L2315-K2430 WeakPolarHBondContact O-CD 3.27Å; L2315-K2430 PolarHBondContact O-NZ 2.86Å; L2315-K2430 VanDerWaalsContact O-NZ 3.09Å; T2318-K2430 WeakPolarHBondContact OG1-CD 3.16Å; T2318-K2430 WeakPolarHBondContact OG1-CE 3.24Å; T2318-K2430 PolarHBondContact OG1-NZ 3.42Å; K2430-F2432 VanDerWaalsContact C-N 3.3Å; K2430-F2432 PolarHBondContact O-N 3.03Å; K2430-I2433 CarbonylContact O-C 3.57Å; K2430-I2433 WeakPolarHBondContact O-CA 3.33Å; K2430-I2433 WeakPolarHBondContact O-CB 3.33Å; K2430-I2433 PolarHBondContact O-N 3.05Å; K2430-I2433 VanDerWaalsContact O-N 3.12Å; K2430-E2434 PolarHBondContact O-N 3.21Å |
| 2431 | D | 39.5 | Very low | 41.5 | Very low | 81.8 Ų | 81.8 | 73.6 Ų | 73.6 | 44% | 0.437 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.5 | -36.2 | 179.6 | -52.3 | -26.1 | 0 | 0 | 0 | 111.8 | E2186 Q2319 Q2429 I2433 E2434 I2435 K2484 | E2186-D2431 HydrophobicContact CG-CB 3.73Å; E2186-D2431 VanDerWaalsContact CG-N 3.34Å; E2186-D2431 WeakPolarHBondContact OE1-CB 3.49Å; E2186-D2431 PolarHBondContact OE1-N 3.39Å; Q2319-D2431 PolarHBondContact NE2-OD1 3.3Å; Q2319-D2431 PolarHBondContact NE2-OD2 3.22Å; Q2319-D2431 PolarHBondContact OE1-OD1 2.85Å; Q2429-D2431 VanDerWaalsContact C-N 3.32Å; Q2429-D2431 PolarHBondContact O-N 3.1Å; D2431-I2433 VanDerWaalsContact C-N 3.29Å; D2431-I2433 PolarHBondContact O-N 3.17Å; D2431-E2434 CarbonylContact O-C 3.58Å; D2431-E2434 PolarHBondContact O-N 3.03Å; D2431-E2434 VanDerWaalsContact O-N 3.08Å; D2431-I2435 VanDerWaalsContact O-CG1 3.22Å; D2431-I2435 WeakPolarHBondContact O-CG1 3.25Å; D2431-I2435 PolarHBondContact O-N 3.22Å; D2431-K2484 IonicContact OD2-NZ 3.09Å; D2431-K2484 PolarHBondContact OD2-NZ 3.35Å |
| 2432 | F | 39.6 | Very low | 41.2 | Very low | 38.6 Ų | 38.6 | 73.3 Ų | 73.3 | 17% | 0.169 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70.4 | -30.1 | 175.6 | -114.1 | -81.7 | 0 | 0 | 0 | 112.9 | F2383 I2426 Q2429 K2430 E2434 I2435 L2436 V2477 A2480 Q2481 | F2383-F2432 WeakPolarHBondContact CE2-O 3.34Å; I2426-F2432 HydrophobicContact CB-CD1 4.36Å; I2426-F2432 HydrophobicContact CD1-CE1 4.27Å; I2426-F2432 HydrophobicContact CD1-CZ 4.29Å; I2426-F2432 HydrophobicContact CG1-CD1 4.15Å; I2426-F2432 HydrophobicContact CG1-CD2 4.34Å; I2426-F2432 HydrophobicContact CG1-CE1 3.98Å; I2426-F2432 HydrophobicContact CG1-CE2 4.17Å; I2426-F2432 HydrophobicContact CG1-CG 4.33Å; I2426-F2432 HydrophobicContact CG1-CZ 3.99Å; I2426-F2432 HydrophobicContact CG2-CB 4.04Å; I2426-F2432 HydrophobicContact CG2-CD1 4.01Å; I2426-F2432 HydrophobicContact CG2-CE1 4.19Å; I2426-F2432 HydrophobicContact CG2-CG 4.22Å; Q2429-F2432 HydrophobicContact CB-CB 4.14Å; Q2429-F2432 HydrophobicContact CB-CD2 3.99Å; Q2429-F2432 HydrophobicContact CB-CG 4.42Å; Q2429-F2432 HydrophobicContact CG-CD2 4.44Å; Q2429-F2432 PolarHBondContact O-N 3.01Å; Q2429-F2432 VanDerWaalsContact O-N 3.11Å; K2430-F2432 VanDerWaalsContact C-N 3.3Å; K2430-F2432 PolarHBondContact O-N 3.03Å; F2432-E2434 VanDerWaalsContact C-N 3.29Å; F2432-E2434 PolarHBondContact O-N 3.23Å; F2432-I2435 HydrophobicContact CD1-CD1 4.12Å; F2432-I2435 HydrophobicContact CD2-CD1 4.42Å; F2432-I2435 HydrophobicContact CE1-CD1 4.12Å; F2432-I2435 PolarHBondContact O-N 3.07Å; F2432-I2435 VanDerWaalsContact O-N 3.15Å; F2432-L2436 HydrophobicContact CD1-CD1 4.09Å; F2432-L2436 HydrophobicContact CD1-CD2 4.33Å; F2432-L2436 HydrophobicContact CD1-CG 3.73Å; F2432-L2436 HydrophobicContact CE1-CD1 4.18Å; F2432-L2436 HydrophobicContact CE1-CD2 4Å; F2432-L2436 HydrophobicContact CE1-CG 3.91Å; F2432-L2436 VanDerWaalsContact O-CB 3.29Å; F2432-L2436 WeakPolarHBondContact O-CB 3.35Å; F2432-L2436 VanDerWaalsContact O-CD1 3.29Å; F2432-L2436 WeakPolarHBondContact O-CD1 3.34Å; F2432-L2436 VanDerWaalsContact O-CG 3.24Å; F2432-L2436 WeakPolarHBondContact O-CG 3.26Å; F2432-L2436 PolarHBondContact O-N 3.29Å; F2432-V2477 HydrophobicContact CD1-CG1 4.43Å; F2432-V2477 HydrophobicContact CD1-CG2 4.06Å; F2432-V2477 HydrophobicContact CE1-CB 3.85Å; F2432-V2477 HydrophobicContact CE1-CG1 3.75Å; F2432-V2477 HydrophobicContact CE1-CG2 3.54Å; F2432-V2477 HydrophobicContact CZ-CB 4.25Å; F2432-V2477 HydrophobicContact CZ-CG1 3.78Å; F2432-V2477 HydrophobicContact CZ-CG2 4.24Å; F2432-A2480 HydrophobicContact CE1-CB 4Å; F2432-A2480 HydrophobicContact CZ-CB 3.78Å; F2432-Q2481 HydrophobicContact CE2-CG 4.24Å; F2432-Q2481 HydrophobicContact CZ-CG 4.06Å |
| 2433 | I | 40.1 | Very low | 40.8 | Very low | 50.4 Ų | 50.4 | 75.1 Ų | 75.1 | 26% | 0.258 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -74.3 | -20.6 | 175.8 | -59.9 | 172.1 | 0 | 0 | 0 | 111 | T2189 L2315 F2383 Q2386 F2390 I2426 K2427 Q2429 K2430 D2431 L2436 K2437 | T2189-I2433 HydrophobicContact CG2-CD1 4.39Å; L2315-I2433 HydrophobicContact CD2-CB 4.22Å; F2383-I2433 HydrophobicContact CD1-CG2 4.26Å; F2383-I2433 WeakPolarHBondContact CD2-O 3.3Å; F2383-I2433 HydrophobicContact CE1-CG2 3.54Å; F2383-I2433 HydrophobicContact CE2-CB 4.47Å; F2383-I2433 WeakPolarHBondContact CE2-O 3.49Å; F2383-I2433 HydrophobicContact CZ-CG2 3.95Å; Q2386-I2433 VanDerWaalsContact NE2-C 3.26Å; Q2386-I2433 PolarHBondContact NE2-O 2.79Å; Q2386-I2433 PolarHBondContact OE1-O 2.78Å; F2390-I2433 HydrophobicContact CE2-CG1 4.32Å; I2426-I2433 HydrophobicContact CG2-CG1 4.43Å; K2427-I2433 VanDerWaalsContact O-CD1 3.28Å; K2427-I2433 WeakPolarHBondContact O-CD1 3.27Å; K2427-I2433 WeakPolarHBondContact O-CG1 3.39Å; Q2429-I2433 WeakPolarHBondContact O-CG1 3.2Å; Q2429-I2433 PolarHBondContact O-N 3.23Å; Q2429-I2433 VanDerWaalsContact O-N 3.12Å; K2430-I2433 CarbonylContact O-C 3.57Å; K2430-I2433 WeakPolarHBondContact O-CA 3.33Å; K2430-I2433 WeakPolarHBondContact O-CB 3.33Å; K2430-I2433 PolarHBondContact O-N 3.05Å; K2430-I2433 VanDerWaalsContact O-N 3.12Å; D2431-I2433 VanDerWaalsContact C-N 3.29Å; D2431-I2433 PolarHBondContact O-N 3.17Å; I2433-L2436 PolarHBondContact O-N 3.05Å; I2433-K2437 HydrophobicContact CG2-CD 4.23Å; I2433-K2437 HydrophobicContact CG2-CG 4.16Å; I2433-K2437 WeakPolarHBondContact O-CA 2.86Å; I2433-K2437 VanDerWaalsContact O-CB 3.26Å; I2433-K2437 WeakPolarHBondContact O-CB 3.44Å; I2433-K2437 WeakPolarHBondContact O-CD 3.25Å; I2433-K2437 VanDerWaalsContact O-CG 3.26Å; I2433-K2437 WeakPolarHBondContact O-CG 3.25Å; I2433-K2437 PolarHBondContact O-N 2.92Å; I2433-K2437 VanDerWaalsContact O-N 3.17Å |
| 2434 | E | 39.7 | Very low | 40.5 | Very low | 92.8 Ų | 92.8 | 76.2 Ų | 76.2 | 43% | 0.434 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -85.2 | -35.4 | 169.6 | -103.3 | 176 | 173 | 0 | 0 | 112 | K2185 E2186 D2312 L2315 K2430 D2431 F2432 L2436 K2437 N2438 K2524 | K2185-E2434 WeakPolarHBondContact CA-OE2 3.3Å; K2185-E2434 HydrophobicContact CB-CB 3.75Å; K2185-E2434 HydrophobicContact CD-CB 3.78Å; K2185-E2434 WeakPolarHBondContact CD-O 3.3Å; K2185-E2434 WeakPolarHBondContact CE-O 3.21Å; K2185-E2434 HydrophobicContact CG-CB 3.67Å; K2185-E2434 PolarHBondContact NZ-O 3.1Å; E2186-E2434 PolarHBondContact N-OE2 3.01Å; D2312-E2434 HydrophobicContact CB-CG 3.9Å; L2315-E2434 VanDerWaalsContact CB-OE1 3.26Å; L2315-E2434 WeakPolarHBondContact CB-OE1 3.12Å; L2315-E2434 VanDerWaalsContact CB-OE2 3.27Å; L2315-E2434 WeakPolarHBondContact CB-OE2 3.25Å; L2315-E2434 WeakPolarHBondContact CD1-OE1 3.42Å; L2315-E2434 HydrophobicContact CD2-CB 4.45Å; L2315-E2434 HydrophobicContact CD2-CG 3.72Å; L2315-E2434 WeakPolarHBondContact CD2-OE1 3.44Å; L2315-E2434 WeakPolarHBondContact CD2-OE2 3.29Å; L2315-E2434 WeakPolarHBondContact CG-OE1 3.28Å; K2430-E2434 PolarHBondContact O-N 3.21Å; D2431-E2434 CarbonylContact O-C 3.58Å; D2431-E2434 PolarHBondContact O-N 3.03Å; D2431-E2434 VanDerWaalsContact O-N 3.08Å; F2432-E2434 VanDerWaalsContact C-N 3.29Å; F2432-E2434 PolarHBondContact O-N 3.23Å; E2434-L2436 VanDerWaalsContact C-N 3.3Å; E2434-L2436 PolarHBondContact O-N 3.17Å; E2434-K2437 PolarHBondContact O-N 3.1Å; E2434-K2437 VanDerWaalsContact O-N 3.07Å; E2434-N2438 PolarHBondContact O-ND2 3.14Å; E2434-K2524 IonicContact OE1-NZ 2.89Å; E2434-K2524 PolarHBondContact OE1-NZ 3.17Å; E2434-K2524 VanDerWaalsContact OE1-NZ 3.1Å |
| 2435 | I | 39.4 | Very low | 40.1 | Very low | 82.8 Ų | 82.8 | 75.1 Ų | 75.1 | 43% | 0.425 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.4 | -32.5 | 173.9 | -63 | 166.3 | 0 | 0 | 0 | 111.5 | D2431 F2432 K2437 N2438 D2439 A2480 E2902 | D2431-I2435 VanDerWaalsContact O-CG1 3.22Å; D2431-I2435 WeakPolarHBondContact O-CG1 3.25Å; D2431-I2435 PolarHBondContact O-N 3.22Å; F2432-I2435 HydrophobicContact CD1-CD1 4.12Å; F2432-I2435 HydrophobicContact CD2-CD1 4.42Å; F2432-I2435 HydrophobicContact CE1-CD1 4.12Å; F2432-I2435 PolarHBondContact O-N 3.07Å; F2432-I2435 VanDerWaalsContact O-N 3.15Å; I2435-K2437 VanDerWaalsContact C-N 3.33Å; I2435-K2437 PolarHBondContact O-N 3.01Å; I2435-N2438 WeakPolarHBondContact O-CB 3.48Å; I2435-N2438 PolarHBondContact O-N 3.47Å; I2435-D2439 PolarHBondContact O-N 3.36Å; I2435-A2480 HydrophobicContact CD1-CB 4.21Å; I2435-E2902 VanDerWaalsContact C-OE2 3.31Å; I2435-E2902 HydrophobicContact CG2-CG 4.14Å |
| 2436 | L | 37.5 | Very low | 39.7 | Very low | 20.4 Ų | 20.4 | 75.5 Ų | 75.5 | 11% | 0.107 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -84.3 | -23 | 177.3 | -72.5 | 157.6 | 0 | 0 | 0 | 113 | D2382 F2383 Q2386 L2389 F2390 I2426 F2432 I2433 E2434 N2438 D2439 F2442 L2443 I2473 E2902 | D2382-L2436 CarbonylContact O-C 3.5Å; F2383-L2436 HydrophobicContact CD1-CB 4.33Å; F2383-L2436 HydrophobicContact CD2-CB 3.83Å; F2383-L2436 HydrophobicContact CE1-CB 3.97Å; F2383-L2436 HydrophobicContact CE1-CD2 3.79Å; F2383-L2436 HydrophobicContact CE1-CG 4.35Å; F2383-L2436 HydrophobicContact CE2-CB 3.44Å; F2383-L2436 VanDerWaalsContact CE2-CB 3.44Å; F2383-L2436 HydrophobicContact CE2-CD1 4Å; F2383-L2436 HydrophobicContact CE2-CD2 4.41Å; F2383-L2436 HydrophobicContact CE2-CG 4.12Å; F2383-L2436 HydrophobicContact CG-CB 4.28Å; F2383-L2436 HydrophobicContact CZ-CB 3.55Å; F2383-L2436 HydrophobicContact CZ-CD1 3.75Å; F2383-L2436 HydrophobicContact CZ-CD2 3.66Å; F2383-L2436 HydrophobicContact CZ-CG 3.84Å; Q2386-L2436 HydrophobicContact CB-CB 4.5Å; Q2386-L2436 HydrophobicContact CG-CB 3.9Å; Q2386-L2436 WeakPolarHBondContact CG-O 3.42Å; Q2386-L2436 VanDerWaalsContact NE2-CB 3.31Å; L2389-L2436 HydrophobicContact CD2-CD1 3.9Å; L2389-L2436 HydrophobicContact CD2-CD2 3.46Å; L2389-L2436 VanDerWaalsContact CD2-CD2 3.46Å; L2389-L2436 HydrophobicContact CD2-CG 4.25Å; F2390-L2436 HydrophobicContact CE2-CD1 4.04Å; F2390-L2436 HydrophobicContact CZ-CD1 3.74Å; I2426-L2436 HydrophobicContact CD1-CD1 4.16Å; I2426-L2436 HydrophobicContact CG1-CD1 4.16Å; I2426-L2436 HydrophobicContact CG2-CD1 3.85Å; F2432-L2436 HydrophobicContact CD1-CD1 4.09Å; F2432-L2436 HydrophobicContact CD1-CD2 4.33Å; F2432-L2436 HydrophobicContact CD1-CG 3.73Å; F2432-L2436 HydrophobicContact CE1-CD1 4.18Å; F2432-L2436 HydrophobicContact CE1-CD2 4Å; F2432-L2436 HydrophobicContact CE1-CG 3.91Å; F2432-L2436 VanDerWaalsContact O-CB 3.29Å; F2432-L2436 WeakPolarHBondContact O-CB 3.35Å; F2432-L2436 VanDerWaalsContact O-CD1 3.29Å; F2432-L2436 WeakPolarHBondContact O-CD1 3.34Å; F2432-L2436 VanDerWaalsContact O-CG 3.24Å; F2432-L2436 WeakPolarHBondContact O-CG 3.26Å; F2432-L2436 PolarHBondContact O-N 3.29Å; I2433-L2436 PolarHBondContact O-N 3.05Å; E2434-L2436 VanDerWaalsContact C-N 3.3Å; E2434-L2436 PolarHBondContact O-N 3.17Å; L2436-N2438 PolarHBondContact O-N 2.95Å; L2436-N2438 VanDerWaalsContact O-N 3.15Å; L2436-D2439 CarbonylContact O-C 3.59Å; L2436-D2439 PolarHBondContact O-N 3Å; L2436-F2442 HydrophobicContact CD1-CE1 4.08Å; L2436-F2442 HydrophobicContact CD2-CD1 3.87Å; L2436-F2442 VanDerWaalsContact CD2-CD1 3.44Å; L2436-F2442 HydrophobicContact CD2-CE1 3.62Å; L2436-F2442 VanDerWaalsContact CD2-CE1 3.41Å; L2436-F2442 HydrophobicContact CD2-CG 4.35Å; L2436-F2442 HydrophobicContact CD2-CZ 4.27Å; L2436-F2442 HydrophobicContact CG-CD1 4.18Å; L2436-F2442 HydrophobicContact CG-CE1 3.69Å; L2436-F2442 HydrophobicContact CG-CZ 3.92Å; L2436-L2443 HydrophobicContact CB-CD1 4.08Å; L2436-L2443 WeakPolarHBondContact O-CD1 3.33Å; L2436-L2443 WeakPolarHBondContact O-CG 3.24Å; L2436-I2473 HydrophobicContact CD2-CG2 4.28Å; L2436-E2902 VanDerWaalsContact CA-OE2 3.28Å; L2436-E2902 WeakPolarHBondContact CA-OE2 3.44Å; L2436-E2902 PolarHBondContact N-OE2 2.81Å |
| 2437 | K | 42 | Very low | 39.2 | Very low | 101 Ų | 101 | 81.2 Ų | 81.2 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.3 | -25.6 | -179.9 | -98.6 | 168 | -173.5 | 166.7 | 0 | 113.3 | D2312 N2381 D2382 F2383 Q2386 I2433 E2434 I2435 D2439 Q2440 E2902 | D2312-K2437 IonicContact OD1-NZ 3.58Å; D2312-K2437 PolarHBondContact OD1-NZ 2.92Å; D2312-K2437 IonicContact OD2-NZ 3.75Å; D2312-K2437 PolarHBondContact OD2-NZ 3.42Å; N2381-K2437 CarbonylContact C-O 3.25Å; N2381-K2437 VanDerWaalsContact C-O 3.27Å; N2381-K2437 CarbonylContact O-C 3.38Å; N2381-K2437 VanDerWaalsContact O-O 3.04Å; D2382-K2437 HydrophobicContact CB-CD 4.49Å; D2382-K2437 WeakPolarHBondContact O-CA 3.33Å; F2383-K2437 HydrophobicContact CB-CB 3.92Å; F2383-K2437 HydrophobicContact CB-CD 3.41Å; F2383-K2437 VanDerWaalsContact CB-CD 3.41Å; F2383-K2437 HydrophobicContact CB-CG 3.66Å; F2383-K2437 HydrophobicContact CD2-CB 3.81Å; F2383-K2437 HydrophobicContact CD2-CD 4.25Å; F2383-K2437 HydrophobicContact CD2-CG 4.41Å; F2383-K2437 VanDerWaalsContact CD2-N 3.28Å; F2383-K2437 HydrophobicContact CG-CB 4.39Å; F2383-K2437 HydrophobicContact CG-CD 4.37Å; F2383-K2437 WeakPolarHBondContact O-CE 3.44Å; F2383-K2437 PolarHBondContact O-NZ 3.31Å; Q2386-K2437 HydrophobicContact CG-CG 4.03Å; Q2386-K2437 VanDerWaalsContact NE2-N 3.13Å; I2433-K2437 HydrophobicContact CG2-CD 4.23Å; I2433-K2437 HydrophobicContact CG2-CG 4.16Å; I2433-K2437 WeakPolarHBondContact O-CA 2.86Å; I2433-K2437 VanDerWaalsContact O-CB 3.26Å; I2433-K2437 WeakPolarHBondContact O-CB 3.44Å; I2433-K2437 WeakPolarHBondContact O-CD 3.25Å; I2433-K2437 VanDerWaalsContact O-CG 3.26Å; I2433-K2437 WeakPolarHBondContact O-CG 3.25Å; I2433-K2437 PolarHBondContact O-N 2.92Å; I2433-K2437 VanDerWaalsContact O-N 3.17Å; E2434-K2437 PolarHBondContact O-N 3.1Å; E2434-K2437 VanDerWaalsContact O-N 3.07Å; I2435-K2437 VanDerWaalsContact C-N 3.33Å; I2435-K2437 PolarHBondContact O-N 3.01Å; K2437-D2439 PolarHBondContact O-N 3.12Å; K2437-Q2440 WeakPolarHBondContact O-CG 3.24Å; K2437-E2902 PolarHBondContact N-OE2 3.48Å |
| 2438 | N | 42.6 | Very low | 38.6 | Very low | 120.8 Ų | 120.8 | 80.2 Ų | 80.2 | 65% | 0.646 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -7 | -179 | -63.9 | -37.5 | 0 | 0 | 0 | 112.4 | I2380 N2381 E2434 I2435 L2436 Q2440 D2901 E2902 | I2380-N2438 CarbonylContact C-O 3.47Å; I2380-N2438 CarbonylContact O-C 3.57Å; I2380-N2438 VanDerWaalsContact O-O 3.07Å; N2381-N2438 CarbonylContact O-C 3.36Å; N2381-N2438 WeakPolarHBondContact O-CA 3.44Å; N2381-N2438 PolarHBondContact O-N 3.06Å; E2434-N2438 PolarHBondContact O-ND2 3.14Å; I2435-N2438 WeakPolarHBondContact O-CB 3.48Å; I2435-N2438 PolarHBondContact O-N 3.47Å; L2436-N2438 PolarHBondContact O-N 2.95Å; L2436-N2438 VanDerWaalsContact O-N 3.15Å; N2438-Q2440 PolarHBondContact O-N 3.27Å; N2438-D2901 WeakPolarHBondContact ND2-CB 3.43Å; N2438-D2901 PolarHBondContact ND2-OD2 3.32Å; N2438-E2902 WeakPolarHBondContact CA-OE2 3.21Å; N2438-E2902 HydrophobicContact CB-CB 3.87Å; N2438-E2902 HydrophobicContact CB-CG 4.29Å; N2438-E2902 WeakPolarHBondContact CB-OE1 3.48Å; N2438-E2902 PolarHBondContact N-OE2 3.16Å; N2438-E2902 PolarHBondContact ND2-OE1 2.96Å |
| 2439 | D | 41.2 | Very low | 38.1 | Very low | 58.2 Ų | 58.2 | 78.7 Ų | 78.7 | 31% | 0.311 | 39% | 0.394 | S | S | . | . | trans | -112.5 | 72.6 | 179.6 | -150.4 | -17.4 | 0 | 0 | 0 | 111.9 | I2380 N2381 I2435 L2436 K2437 D2441 F2442 L2443 K2469 E2902 Q2903 | I2380-D2439 CarbonylContact O-C 3.49Å; I2380-D2439 WeakPolarHBondContact O-CA 3.16Å; I2380-D2439 PolarHBondContact O-N 3.11Å; N2381-D2439 CarbonylContact O-C 3.29Å; N2381-D2439 VanDerWaalsContact O-C 3.31Å; N2381-D2439 WeakPolarHBondContact O-CA 3.43Å; N2381-D2439 PolarHBondContact O-N 2.88Å; I2435-D2439 PolarHBondContact O-N 3.36Å; L2436-D2439 CarbonylContact O-C 3.59Å; L2436-D2439 PolarHBondContact O-N 3Å; K2437-D2439 PolarHBondContact O-N 3.12Å; D2439-D2441 VanDerWaalsContact C-N 3.25Å; D2439-D2441 PolarHBondContact O-N 3.16Å; D2439-D2441 VanDerWaalsContact O-N 3.12Å; D2439-D2441 VanDerWaalsContact OD1-C 3.31Å; D2439-D2441 WeakPolarHBondContact OD1-CA 3.19Å; D2439-D2441 WeakPolarHBondContact OD1-CB 3.37Å; D2439-D2441 PolarHBondContact OD1-N 3.07Å; D2439-F2442 HydrophobicContact CB-CB 4.01Å; D2439-F2442 VanDerWaalsContact CG-CB 3.49Å; D2439-F2442 WeakPolarHBondContact O-CA 3.42Å; D2439-F2442 VanDerWaalsContact O-CB 3.29Å; D2439-F2442 WeakPolarHBondContact O-CB 3.43Å; D2439-F2442 PolarHBondContact O-N 3.1Å; D2439-F2442 VanDerWaalsContact O-N 3.16Å; D2439-F2442 WeakPolarHBondContact OD1-CB 3.33Å; D2439-F2442 PolarHBondContact OD1-N 3.13Å; D2439-F2442 WeakPolarHBondContact OD2-CB 3.35Å; D2439-L2443 WeakPolarHBondContact O-CB 3.3Å; D2439-L2443 PolarHBondContact O-N 3.23Å; D2439-L2443 VanDerWaalsContact O-N 3.07Å; D2439-K2469 IonicContact OD1-NZ 3.01Å; D2439-E2902 HydrophobicContact CB-CB 3.68Å; D2439-E2902 HydrophobicContact CB-CG 3.66Å; D2439-E2902 VanDerWaalsContact CB-OE2 3.31Å; D2439-E2902 WeakPolarHBondContact CB-OE2 3.23Å; D2439-E2902 PolarHBondContact N-OE2 3.25Å; D2439-E2902 WeakPolarHBondContact OD1-CB 3.22Å; D2439-Q2903 VanDerWaalsContact CG-NE2 3.31Å; D2439-Q2903 PolarHBondContact O-NE2 3.07Å; D2439-Q2903 WeakPolarHBondContact OD1-CB 3.24Å; D2439-Q2903 WeakPolarHBondContact OD1-CG 3.21Å; D2439-Q2903 PolarHBondContact OD1-NE2 3.21Å | ||
| 2440 | Q | 39.6 | Very low | 37.4 | Very low | 122.6 Ų | 122.6 | 79 Ų | 79 | 57% | 0.573 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.4 | -31.2 | 173.2 | -73.8 | -131.7 | -34.3 | 0 | 0 | 113.4 | I2380 N2381 D2382 D2385 K2437 N2438 F2442 L2443 S2444 Q2903 | I2380-Q2440 HydrophobicContact CG2-CB 3.35Å; I2380-Q2440 HydrophobicContact CG2-CG 3.61Å; I2380-Q2440 PolarHBondContact O-N 3.35Å; N2381-Q2440 HydrophobicContact CB-CB 4.35Å; N2381-Q2440 HydrophobicContact CB-CG 3.39Å; D2382-Q2440 HydrophobicContact CB-CG 4.35Å; D2382-Q2440 VanDerWaalsContact CG-CG 3.43Å; D2382-Q2440 PolarHBondContact OD1-NE2 2.85Å; D2382-Q2440 WeakPolarHBondContact OD2-CA 3.3Å; D2382-Q2440 WeakPolarHBondContact OD2-CG 2.84Å; D2382-Q2440 PolarHBondContact OD2-NE2 3.34Å; D2385-Q2440 PolarHBondContact OD2-NE2 3.02Å; K2437-Q2440 WeakPolarHBondContact O-CG 3.24Å; N2438-Q2440 PolarHBondContact O-N 3.27Å; Q2440-F2442 VanDerWaalsContact C-N 3.31Å; Q2440-F2442 PolarHBondContact O-N 2.94Å; Q2440-L2443 CarbonylContact O-C 3.48Å; Q2440-L2443 WeakPolarHBondContact O-CA 3.36Å; Q2440-L2443 WeakPolarHBondContact O-CB 3.41Å; Q2440-L2443 PolarHBondContact O-N 3.06Å; Q2440-L2443 VanDerWaalsContact O-N 3.11Å; Q2440-S2444 WeakPolarHBondContact O-CB 3.39Å; Q2440-S2444 PolarHBondContact O-N 3.01Å; Q2440-S2444 PolarHBondContact O-OG 3.36Å; Q2440-Q2903 VanDerWaalsContact N-CD 3.28Å |
| 2441 | D | 39.4 | Very low | 36.8 | Very low | 100.8 Ų | 100.8 | 77.6 Ų | 77.6 | 54% | 0.539 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.4 | -35.4 | 171.6 | -76.1 | -12.4 | 0 | 0 | 0 | 111 | D2439 S2444 V2445 K2469 Q2903 | D2439-D2441 VanDerWaalsContact C-N 3.25Å; D2439-D2441 PolarHBondContact O-N 3.16Å; D2439-D2441 VanDerWaalsContact O-N 3.12Å; D2439-D2441 VanDerWaalsContact OD1-C 3.31Å; D2439-D2441 WeakPolarHBondContact OD1-CA 3.19Å; D2439-D2441 WeakPolarHBondContact OD1-CB 3.37Å; D2439-D2441 PolarHBondContact OD1-N 3.07Å; D2441-S2444 VanDerWaalsContact CA-OG 3.32Å; D2441-S2444 WeakPolarHBondContact CA-OG 3.38Å; D2441-S2444 CarbonylContact O-C 3.5Å; D2441-S2444 WeakPolarHBondContact O-CB 3.33Å; D2441-S2444 PolarHBondContact O-N 3.13Å; D2441-S2444 VanDerWaalsContact O-N 3.16Å; D2441-S2444 PolarHBondContact O-OG 2.99Å; D2441-S2444 VanDerWaalsContact O-OG 3.05Å; D2441-V2445 WeakPolarHBondContact O-CA 3.43Å; D2441-V2445 WeakPolarHBondContact O-CB 3.36Å; D2441-V2445 WeakPolarHBondContact O-CG2 3.41Å; D2441-V2445 PolarHBondContact O-N 3.18Å; D2441-K2469 IonicContact OD2-NZ 2.98Å; D2441-Q2903 VanDerWaalsContact C-NE2 3.33Å; D2441-Q2903 HydrophobicContact CB-CG 3.69Å |
| 2442 | F | 36.7 | Very low | 36.3 | Very low | 42 Ų | 42 | 79.4 Ų | 79.4 | 18% | 0.184 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 171.3 | -171.9 | -96.8 | 0 | 0 | 0 | 112 | L2389 L2436 D2439 Q2440 S2444 V2445 F2446 T2466 K2469 M2470 I2473 | L2389-F2442 HydrophobicContact CD2-CD1 4.03Å; L2389-F2442 HydrophobicContact CD2-CE1 4.06Å; L2436-F2442 HydrophobicContact CD1-CE1 4.08Å; L2436-F2442 HydrophobicContact CD2-CD1 3.87Å; L2436-F2442 VanDerWaalsContact CD2-CD1 3.44Å; L2436-F2442 HydrophobicContact CD2-CE1 3.62Å; L2436-F2442 VanDerWaalsContact CD2-CE1 3.41Å; L2436-F2442 HydrophobicContact CD2-CG 4.35Å; L2436-F2442 HydrophobicContact CD2-CZ 4.27Å; L2436-F2442 HydrophobicContact CG-CD1 4.18Å; L2436-F2442 HydrophobicContact CG-CE1 3.69Å; L2436-F2442 HydrophobicContact CG-CZ 3.92Å; D2439-F2442 HydrophobicContact CB-CB 4.01Å; D2439-F2442 VanDerWaalsContact CG-CB 3.49Å; D2439-F2442 WeakPolarHBondContact O-CA 3.42Å; D2439-F2442 VanDerWaalsContact O-CB 3.29Å; D2439-F2442 WeakPolarHBondContact O-CB 3.43Å; D2439-F2442 PolarHBondContact O-N 3.1Å; D2439-F2442 VanDerWaalsContact O-N 3.16Å; D2439-F2442 WeakPolarHBondContact OD1-CB 3.33Å; D2439-F2442 PolarHBondContact OD1-N 3.13Å; D2439-F2442 WeakPolarHBondContact OD2-CB 3.35Å; Q2440-F2442 VanDerWaalsContact C-N 3.31Å; Q2440-F2442 PolarHBondContact O-N 2.94Å; F2442-S2444 VanDerWaalsContact C-N 3.29Å; F2442-S2444 PolarHBondContact O-N 3.31Å; F2442-V2445 CarbonylContact O-C 3.4Å; F2442-V2445 PolarHBondContact O-N 3.11Å; F2442-V2445 VanDerWaalsContact O-N 3.1Å; F2442-F2446 HydrophobicContact CD1-CB 4.34Å; F2442-F2446 AromaticContact CD1-CD2 3.81Å; F2442-F2446 HydrophobicContact CD1-CD2 3.95Å; F2442-F2446 AromaticContact CD1-CE2 3.93Å; F2442-F2446 HydrophobicContact CD1-CE2 3.93Å; F2442-F2446 HydrophobicContact CD2-CD2 4.26Å; F2442-F2446 HydrophobicContact CD2-CE2 4.26Å; F2442-F2446 HydrophobicContact CE1-CB 3.92Å; F2442-F2446 HydrophobicContact CE1-CD1 4.36Å; F2442-F2446 AromaticContact CE1-CD2 3.79Å; F2442-F2446 HydrophobicContact CE1-CD2 3.91Å; F2442-F2446 AromaticContact CE1-CE2 3.41Å; F2442-F2446 HydrophobicContact CE1-CE2 3.95Å; F2442-F2446 VanDerWaalsContact CE1-CE2 3.41Å; F2442-F2446 AromaticContact CE1-CG 3.77Å; F2442-F2446 HydrophobicContact CE1-CG 3.77Å; F2442-F2446 HydrophobicContact CE1-CZ 4.5Å; F2442-F2446 AromaticContact CE2-CD2 3.57Å; F2442-F2446 HydrophobicContact CE2-CD2 3.81Å; F2442-F2446 VanDerWaalsContact CE2-CD2 3.47Å; F2442-F2446 AromaticContact CE2-CE2 3.63Å; F2442-F2446 HydrophobicContact CE2-CE2 3.63Å; F2442-F2446 VanDerWaalsContact CE2-CE2 3.45Å; F2442-F2446 HydrophobicContact CE2-CG 4.25Å; F2442-F2446 HydrophobicContact CG-CD2 4.33Å; F2442-F2446 HydrophobicContact CZ-CB 4.12Å; F2442-F2446 HydrophobicContact CZ-CD1 4.23Å; F2442-F2446 AromaticContact CZ-CD2 3.47Å; F2442-F2446 HydrophobicContact CZ-CD2 3.67Å; F2442-F2446 VanDerWaalsContact CZ-CD2 3.4Å; F2442-F2446 HydrophobicContact CZ-CE1 4.47Å; F2442-F2446 AromaticContact CZ-CE2 3.37Å; F2442-F2446 HydrophobicContact CZ-CE2 3.84Å; F2442-F2446 VanDerWaalsContact CZ-CE2 3.45Å; F2442-F2446 AromaticContact CZ-CG 3.57Å; F2442-F2446 HydrophobicContact CZ-CG 4.01Å; F2442-F2446 HydrophobicContact CZ-CZ 4.26Å; F2442-F2446 WeakPolarHBondContact O-CA 3.18Å; F2442-F2446 VanDerWaalsContact O-CB 3.22Å; F2442-F2446 WeakPolarHBondContact O-CB 3.35Å; F2442-F2446 PolarHBondContact O-N 3.11Å; F2442-T2466 HydrophobicContact CE2-CG2 4.38Å; F2442-K2469 HydrophobicContact CD2-CB 4.36Å; F2442-M2470 HydrophobicContact CE2-CG 3.81Å; F2442-M2470 HydrophobicContact CZ-CE 3.99Å; F2442-M2470 HydrophobicContact CZ-CG 3.77Å; F2442-I2473 HydrophobicContact CB-CD1 4.09Å; F2442-I2473 HydrophobicContact CD1-CD1 3.55Å; F2442-I2473 HydrophobicContact CD2-CD1 3.5Å; F2442-I2473 HydrophobicContact CE1-CD1 3.81Å; F2442-I2473 HydrophobicContact CE2-CD1 3.72Å; F2442-I2473 HydrophobicContact CG-CD1 3.84Å; F2442-I2473 VanDerWaalsContact CG-CD1 3.47Å; F2442-I2473 HydrophobicContact CZ-CD1 3.99Å |
| 2443 | L | 36.1 | Very low | 35.7 | Very low | 69.6 Ų | 69.6 | 82.7 Ų | 82.7 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63 | -33.6 | 175.7 | -91.3 | 172.4 | 0 | 0 | 0 | 112.7 | D2382 D2385 L2389 L2436 D2439 Q2440 F2446 K2447 | D2382-L2443 HydrophobicContact CB-CD1 4.24Å; D2382-L2443 HydrophobicContact CB-CG 4.22Å; D2382-L2443 WeakPolarHBondContact OD2-CB 3.32Å; D2382-L2443 VanDerWaalsContact OD2-CD1 3.29Å; D2382-L2443 WeakPolarHBondContact OD2-CD1 3.24Å; D2382-L2443 WeakPolarHBondContact OD2-CG 3.25Å; D2385-L2443 HydrophobicContact CB-CD1 4.42Å; L2389-L2443 HydrophobicContact CD1-CD2 3.61Å; L2389-L2443 HydrophobicContact CD1-CG 3.78Å; L2436-L2443 HydrophobicContact CB-CD1 4.08Å; L2436-L2443 WeakPolarHBondContact O-CD1 3.33Å; L2436-L2443 WeakPolarHBondContact O-CG 3.24Å; D2439-L2443 WeakPolarHBondContact O-CB 3.3Å; D2439-L2443 PolarHBondContact O-N 3.23Å; D2439-L2443 VanDerWaalsContact O-N 3.07Å; Q2440-L2443 CarbonylContact O-C 3.48Å; Q2440-L2443 WeakPolarHBondContact O-CA 3.36Å; Q2440-L2443 WeakPolarHBondContact O-CB 3.41Å; Q2440-L2443 PolarHBondContact O-N 3.06Å; Q2440-L2443 VanDerWaalsContact O-N 3.11Å; L2443-F2446 HydrophobicContact CD2-CB 4.37Å; L2443-F2446 WeakPolarHBondContact O-CB 3.47Å; L2443-F2446 PolarHBondContact O-N 3.07Å; L2443-K2447 WeakPolarHBondContact O-CB 3.41Å; L2443-K2447 PolarHBondContact O-N 3.29Å |
| 2444 | S | 38 | Very low | 35.2 | Very low | 62.2 Ų | 62.2 | 82.6 Ų | 82.6 | 44% | 0.435 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -73 | -39.3 | 176.1 | 55.9 | 0 | 0 | 0 | 0 | 112.3 | Q2440 D2441 F2442 F2446 K2447 L2448 | Q2440-S2444 WeakPolarHBondContact O-CB 3.39Å; Q2440-S2444 PolarHBondContact O-N 3.01Å; Q2440-S2444 PolarHBondContact O-OG 3.36Å; D2441-S2444 VanDerWaalsContact CA-OG 3.32Å; D2441-S2444 WeakPolarHBondContact CA-OG 3.38Å; D2441-S2444 CarbonylContact O-C 3.5Å; D2441-S2444 WeakPolarHBondContact O-CB 3.33Å; D2441-S2444 PolarHBondContact O-N 3.13Å; D2441-S2444 VanDerWaalsContact O-N 3.16Å; D2441-S2444 PolarHBondContact O-OG 2.99Å; D2441-S2444 VanDerWaalsContact O-OG 3.05Å; F2442-S2444 VanDerWaalsContact C-N 3.29Å; F2442-S2444 PolarHBondContact O-N 3.31Å; S2444-F2446 VanDerWaalsContact C-N 3.29Å; S2444-F2446 PolarHBondContact O-N 3.07Å; S2444-K2447 PolarHBondContact O-N 3.24Å; S2444-L2448 WeakPolarHBondContact O-CB 3.25Å; S2444-L2448 PolarHBondContact O-N 3.43Å |
| 2445 | V | 34.4 | Very low | 34.6 | Very low | 67.8 Ų | 67.8 | 82.3 Ų | 82.3 | 41% | 0.411 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.1 | -33 | 171 | 171.2 | 0 | 0 | 0 | 0 | 111 | D2441 F2442 K2447 N2449 T2466 | D2441-V2445 WeakPolarHBondContact O-CA 3.43Å; D2441-V2445 WeakPolarHBondContact O-CB 3.36Å; D2441-V2445 WeakPolarHBondContact O-CG2 3.41Å; D2441-V2445 PolarHBondContact O-N 3.18Å; F2442-V2445 CarbonylContact O-C 3.4Å; F2442-V2445 PolarHBondContact O-N 3.11Å; F2442-V2445 VanDerWaalsContact O-N 3.1Å; V2445-K2447 CarbonylContact O-C 3.06Å; V2445-K2447 PolarHBondContact O-N 3.36Å; V2445-N2449 WeakPolarHBondContact CA-ND2 3.41Å; V2445-N2449 HydrophobicContact CG1-CB 4.28Å; V2445-N2449 VanDerWaalsContact CG1-ND2 3.28Å; V2445-N2449 WeakPolarHBondContact CG1-ND2 3.34Å; V2445-N2449 CarbonylContact O-C 3.43Å; V2445-N2449 WeakPolarHBondContact O-CA 3.29Å; V2445-N2449 WeakPolarHBondContact O-CB 3.39Å; V2445-N2449 VanDerWaalsContact O-CG 3.3Å; V2445-N2449 PolarHBondContact O-N 3.48Å; V2445-N2449 VanDerWaalsContact O-N 3.07Å; V2445-N2449 PolarHBondContact O-ND2 2.8Å; V2445-T2466 HydrophobicContact CG1-CG2 4.13Å |
| 2446 | F | 33.5 | Very low | 34.2 | Very low | 49.4 Ų | 49.4 | 84.6 Ų | 84.6 | 22% | 0.217 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -74.3 | -17.5 | 179 | -129.5 | -92.2 | 0 | 0 | 0 | 113.4 | I2393 L2419 M2422 L2423 F2442 L2443 S2444 L2448 V2450 F2460 M2470 | I2393-F2446 HydrophobicContact CB-CE1 3.97Å; I2393-F2446 HydrophobicContact CB-CZ 4.35Å; I2393-F2446 HydrophobicContact CD1-CB 4.37Å; I2393-F2446 HydrophobicContact CD1-CD1 3.24Å; I2393-F2446 HydrophobicContact CD1-CD2 3.74Å; I2393-F2446 HydrophobicContact CD1-CE1 3.26Å; I2393-F2446 HydrophobicContact CD1-CE2 3.76Å; I2393-F2446 HydrophobicContact CD1-CG 3.5Å; I2393-F2446 VanDerWaalsContact CD1-CG 3.5Å; I2393-F2446 HydrophobicContact CD1-CZ 3.55Å; I2393-F2446 HydrophobicContact CG1-CD1 3.56Å; I2393-F2446 HydrophobicContact CG1-CE1 3.41Å; I2393-F2446 VanDerWaalsContact CG1-CE1 3.41Å; I2393-F2446 HydrophobicContact CG1-CG 4.31Å; I2393-F2446 HydrophobicContact CG1-CZ 4.08Å; I2393-F2446 HydrophobicContact CG2-CD1 4.34Å; I2393-F2446 HydrophobicContact CG2-CE1 3.31Å; I2393-F2446 HydrophobicContact CG2-CZ 3.44Å; I2393-F2446 VanDerWaalsContact CG2-CZ 3.44Å; L2419-F2446 HydrophobicContact CD2-CZ 3.82Å; M2422-F2446 HydrophobicContact CE-CZ 4.08Å; M2422-F2446 HydrophobicContact SD-CE2 4.41Å; M2422-F2446 HydrophobicContact SD-CZ 3.87Å; L2423-F2446 HydrophobicContact CD1-CD1 4.18Å; L2423-F2446 HydrophobicContact CD1-CE1 3.25Å; L2423-F2446 HydrophobicContact CD1-CE2 4.48Å; L2423-F2446 HydrophobicContact CD1-CZ 3.53Å; L2423-F2446 HydrophobicContact CD2-CD1 4.32Å; L2423-F2446 HydrophobicContact CD2-CE1 3.55Å; L2423-F2446 HydrophobicContact CD2-CE2 3.8Å; L2423-F2446 HydrophobicContact CD2-CZ 3.24Å; L2423-F2446 HydrophobicContact CG-CE1 4.02Å; L2423-F2446 HydrophobicContact CG-CZ 3.99Å; F2442-F2446 HydrophobicContact CD1-CB 4.34Å; F2442-F2446 AromaticContact CD1-CD2 3.81Å; F2442-F2446 HydrophobicContact CD1-CD2 3.95Å; F2442-F2446 AromaticContact CD1-CE2 3.93Å; F2442-F2446 HydrophobicContact CD1-CE2 3.93Å; F2442-F2446 HydrophobicContact CD2-CD2 4.26Å; F2442-F2446 HydrophobicContact CD2-CE2 4.26Å; F2442-F2446 HydrophobicContact CE1-CB 3.92Å; F2442-F2446 HydrophobicContact CE1-CD1 4.36Å; F2442-F2446 AromaticContact CE1-CD2 3.79Å; F2442-F2446 HydrophobicContact CE1-CD2 3.91Å; F2442-F2446 AromaticContact CE1-CE2 3.41Å; F2442-F2446 HydrophobicContact CE1-CE2 3.95Å; F2442-F2446 VanDerWaalsContact CE1-CE2 3.41Å; F2442-F2446 AromaticContact CE1-CG 3.77Å; F2442-F2446 HydrophobicContact CE1-CG 3.77Å; F2442-F2446 HydrophobicContact CE1-CZ 4.5Å; F2442-F2446 AromaticContact CE2-CD2 3.57Å; F2442-F2446 HydrophobicContact CE2-CD2 3.81Å; F2442-F2446 VanDerWaalsContact CE2-CD2 3.47Å; F2442-F2446 AromaticContact CE2-CE2 3.63Å; F2442-F2446 HydrophobicContact CE2-CE2 3.63Å; F2442-F2446 VanDerWaalsContact CE2-CE2 3.45Å; F2442-F2446 HydrophobicContact CE2-CG 4.25Å; F2442-F2446 HydrophobicContact CG-CD2 4.33Å; F2442-F2446 HydrophobicContact CZ-CB 4.12Å; F2442-F2446 HydrophobicContact CZ-CD1 4.23Å; F2442-F2446 AromaticContact CZ-CD2 3.47Å; F2442-F2446 HydrophobicContact CZ-CD2 3.67Å; F2442-F2446 VanDerWaalsContact CZ-CD2 3.4Å; F2442-F2446 HydrophobicContact CZ-CE1 4.47Å; F2442-F2446 AromaticContact CZ-CE2 3.37Å; F2442-F2446 HydrophobicContact CZ-CE2 3.84Å; F2442-F2446 VanDerWaalsContact CZ-CE2 3.45Å; F2442-F2446 AromaticContact CZ-CG 3.57Å; F2442-F2446 HydrophobicContact CZ-CG 4.01Å; F2442-F2446 HydrophobicContact CZ-CZ 4.26Å; F2442-F2446 WeakPolarHBondContact O-CA 3.18Å; F2442-F2446 VanDerWaalsContact O-CB 3.22Å; F2442-F2446 WeakPolarHBondContact O-CB 3.35Å; F2442-F2446 PolarHBondContact O-N 3.11Å; L2443-F2446 HydrophobicContact CD2-CB 4.37Å; L2443-F2446 WeakPolarHBondContact O-CB 3.47Å; L2443-F2446 PolarHBondContact O-N 3.07Å; S2444-F2446 VanDerWaalsContact C-N 3.29Å; S2444-F2446 PolarHBondContact O-N 3.07Å; F2446-L2448 VanDerWaalsContact C-N 3.34Å; F2446-L2448 HydrophobicContact CD1-CD1 4.26Å; F2446-L2448 HydrophobicContact CE1-CD1 4.26Å; F2446-L2448 HydrophobicContact CG-CD1 4.4Å; F2446-L2448 HydrophobicContact CZ-CD1 4.39Å; F2446-L2448 PolarHBondContact O-N 3.26Å; F2446-V2450 HydrophobicContact CD1-CB 4.3Å; F2446-V2450 HydrophobicContact CD1-CG1 4.41Å; F2446-V2450 HydrophobicContact CD1-CG2 3.85Å; F2446-V2450 VanDerWaalsContact CD1-CG2 3.45Å; F2446-V2450 HydrophobicContact CD2-CG2 3.87Å; F2446-V2450 HydrophobicContact CE1-CB 4.23Å; F2446-V2450 HydrophobicContact CE1-CG1 3.76Å; F2446-V2450 HydrophobicContact CE1-CG2 3.72Å; F2446-V2450 VanDerWaalsContact CE1-CG2 3.43Å; F2446-V2450 HydrophobicContact CE2-CG2 4.07Å; F2446-V2450 HydrophobicContact CG-CG2 4Å; F2446-V2450 HydrophobicContact CZ-CB 4.29Å; F2446-V2450 HydrophobicContact CZ-CG1 3.93Å; F2446-V2450 HydrophobicContact CZ-CG2 3.63Å; F2446-V2450 WeakPolarHBondContact O-CB 3.45Å; F2446-V2450 WeakPolarHBondContact O-CG2 3.3Å; F2446-V2450 PolarHBondContact O-N 2.85Å; F2446-F2460 HydrophobicContact CE2-CE1 4.28Å; F2446-F2460 HydrophobicContact CE2-CZ 4.42Å; F2446-F2460 HydrophobicContact CZ-CE1 4.39Å; F2446-M2470 HydrophobicContact CD2-CE 3.99Å; F2446-M2470 HydrophobicContact CE2-CE 3.71Å; F2446-M2470 HydrophobicContact CZ-CE 3.82Å |
| 2447 | K | 33.5 | Very low | 33.8 | Very low | 147.8 Ų | 147.8 | 87.9 Ų | 87.9 | 64% | 0.643 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.6 | -8.3 | 169.7 | -105.4 | 177.3 | 179.7 | 172.6 | 0 | 112.3 | C2363 L2443 S2444 V2445 N2449 V2450 I2451 K2467 | C2363-K2447 HydrophobicContact CB-CG 4.46Å; L2443-K2447 WeakPolarHBondContact O-CB 3.41Å; L2443-K2447 PolarHBondContact O-N 3.29Å; S2444-K2447 PolarHBondContact O-N 3.24Å; V2445-K2447 CarbonylContact O-C 3.06Å; V2445-K2447 PolarHBondContact O-N 3.36Å; K2447-N2449 PolarHBondContact O-N 3.2Å; K2447-V2450 PolarHBondContact O-N 2.98Å; K2447-I2451 HydrophobicContact CG-CD1 4.05Å; K2447-I2451 PolarHBondContact O-N 3.19Å; K2447-K2467 WeakPolarHBondContact O-CD 3.49Å; K2447-K2467 PolarHBondContact O-NZ 3.21Å |
| 2448 | L | 29.5 | Very low | 33.2 | Very low | 101.8 Ų | 101.8 | 87.7 Ų | 87.7 | 53% | 0.533 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.6 | -15.8 | -179.6 | -81.2 | 157.8 | 0 | 0 | 0 | 114.2 | S2008 L2419 S2444 F2446 V2450 I2451 V2461 | S2008-L2448 WeakPolarHBondContact CB-O 3.5Å; S2008-L2448 PolarHBondContact OG-O 2.98Å; L2419-L2448 HydrophobicContact CD1-CD1 4.22Å; S2444-L2448 WeakPolarHBondContact O-CB 3.25Å; S2444-L2448 PolarHBondContact O-N 3.43Å; F2446-L2448 VanDerWaalsContact C-N 3.34Å; F2446-L2448 HydrophobicContact CD1-CD1 4.26Å; F2446-L2448 HydrophobicContact CE1-CD1 4.26Å; F2446-L2448 HydrophobicContact CG-CD1 4.4Å; F2446-L2448 HydrophobicContact CZ-CD1 4.39Å; F2446-L2448 PolarHBondContact O-N 3.26Å; L2448-V2450 PolarHBondContact O-N 2.93Å; L2448-I2451 PolarHBondContact O-N 3.49Å; L2448-V2461 HydrophobicContact CD2-CG1 3.75Å; L2448-V2461 HydrophobicContact CD2-CG2 4.33Å |
| 2449 | N | 30.5 | Very low | 32.7 | Very low | 77.8 Ų | 77.8 | 86 Ų | 86 | 42% | 0.416 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -97.2 | 14.4 | 178.3 | -71.9 | -14.7 | 0 | 0 | 0 | 114.1 | K2007 S2008 Q2009 V2445 K2447 I2451 Q2452 N2453 F2460 K2467 | K2007-N2449 WeakPolarHBondContact O-CA 3.3Å; K2007-N2449 WeakPolarHBondContact O-CB 3.39Å; K2007-N2449 PolarHBondContact O-ND2 2.69Å; K2007-N2449 PolarHBondContact O-OD1 3.14Å; S2008-N2449 CarbonylContact C-O 3.58Å; S2008-N2449 VanDerWaalsContact OG-C 3.23Å; S2008-N2449 VanDerWaalsContact OG-CA 3.28Å; S2008-N2449 WeakPolarHBondContact OG-CA 3.47Å; Q2009-N2449 WeakPolarHBondContact CA-O 3.3Å; Q2009-N2449 VanDerWaalsContact N-C 3.27Å; Q2009-N2449 PolarHBondContact N-O 2.99Å; V2445-N2449 WeakPolarHBondContact CA-ND2 3.41Å; V2445-N2449 HydrophobicContact CG1-CB 4.28Å; V2445-N2449 VanDerWaalsContact CG1-ND2 3.28Å; V2445-N2449 WeakPolarHBondContact CG1-ND2 3.34Å; V2445-N2449 CarbonylContact O-C 3.43Å; V2445-N2449 WeakPolarHBondContact O-CA 3.29Å; V2445-N2449 WeakPolarHBondContact O-CB 3.39Å; V2445-N2449 VanDerWaalsContact O-CG 3.3Å; V2445-N2449 PolarHBondContact O-N 3.48Å; V2445-N2449 VanDerWaalsContact O-N 3.07Å; V2445-N2449 PolarHBondContact O-ND2 2.8Å; K2447-N2449 PolarHBondContact O-N 3.2Å; N2449-I2451 PolarHBondContact O-N 3.16Å; N2449-Q2452 PolarHBondContact O-N 2.86Å; N2449-N2453 PolarHBondContact O-ND2 2.96Å; N2449-F2460 HydrophobicContact CB-CE2 3.88Å; N2449-F2460 HydrophobicContact CB-CZ 3.52Å; N2449-K2467 WeakPolarHBondContact OD1-CE 3.33Å; N2449-K2467 PolarHBondContact OD1-NZ 3.2Å |
| 2450 | V | 30.5 | Very low | 32.4 | Very low | 48.2 Ų | 48.2 | 86.5 Ų | 86.5 | 29% | 0.292 | 47% | 0.469 | S | S | . | . | trans | -85.3 | -8.7 | 170.6 | -176.6 | 0 | 0 | 0 | 0 | 110.8 | S2008 Q2009 L2419 F2420 F2446 K2447 L2448 Q2452 N2453 C2454 P2459 F2460 | S2008-V2450 CarbonylContact C-O 3.5Å; S2008-V2450 WeakPolarHBondContact OG-CA 3.43Å; S2008-V2450 PolarHBondContact OG-N 3.3Å; S2008-V2450 PolarHBondContact OG-O 2.84Å; Q2009-V2450 WeakPolarHBondContact CA-O 3.04Å; Q2009-V2450 WeakPolarHBondContact CB-O 3.32Å; Q2009-V2450 VanDerWaalsContact CD-C 3.45Å; Q2009-V2450 HydrophobicContact CG-CB 4.03Å; Q2009-V2450 HydrophobicContact CG-CG1 3.64Å; Q2009-V2450 HydrophobicContact CG-CG2 4.31Å; Q2009-V2450 WeakPolarHBondContact CG-O 3.35Å; Q2009-V2450 PolarHBondContact N-O 3.27Å; Q2009-V2450 PolarHBondContact OE1-O 3.35Å; L2419-V2450 HydrophobicContact CD2-CG1 4.43Å; L2419-V2450 HydrophobicContact CD2-CG2 3.85Å; F2420-V2450 HydrophobicContact CE1-CG1 3.86Å; F2420-V2450 HydrophobicContact CE2-CG1 4.36Å; F2420-V2450 HydrophobicContact CZ-CG1 3.44Å; F2420-V2450 VanDerWaalsContact CZ-CG1 3.44Å; F2446-V2450 HydrophobicContact CD1-CB 4.3Å; F2446-V2450 HydrophobicContact CD1-CG1 4.41Å; F2446-V2450 HydrophobicContact CD1-CG2 3.85Å; F2446-V2450 VanDerWaalsContact CD1-CG2 3.45Å; F2446-V2450 HydrophobicContact CD2-CG2 3.87Å; F2446-V2450 HydrophobicContact CE1-CB 4.23Å; F2446-V2450 HydrophobicContact CE1-CG1 3.76Å; F2446-V2450 HydrophobicContact CE1-CG2 3.72Å; F2446-V2450 VanDerWaalsContact CE1-CG2 3.43Å; F2446-V2450 HydrophobicContact CE2-CG2 4.07Å; F2446-V2450 HydrophobicContact CG-CG2 4Å; F2446-V2450 HydrophobicContact CZ-CB 4.29Å; F2446-V2450 HydrophobicContact CZ-CG1 3.93Å; F2446-V2450 HydrophobicContact CZ-CG2 3.63Å; F2446-V2450 WeakPolarHBondContact O-CB 3.45Å; F2446-V2450 WeakPolarHBondContact O-CG2 3.3Å; F2446-V2450 PolarHBondContact O-N 2.85Å; K2447-V2450 PolarHBondContact O-N 2.98Å; L2448-V2450 PolarHBondContact O-N 2.93Å; V2450-Q2452 VanDerWaalsContact C-N 3.33Å; V2450-Q2452 HydrophobicContact CB-CG 4.44Å; V2450-Q2452 HydrophobicContact CG1-CG 3.71Å; V2450-Q2452 PolarHBondContact O-N 3Å; V2450-N2453 PolarHBondContact O-N 2.99Å; V2450-C2454 PolarHBondContact O-N 3.14Å; V2450-C2454 PolarHBondContact O-SG 3.34Å; V2450-C2454 VanDerWaalsContact O-SG 3.34Å; V2450-P2459 HydrophobicContact CG1-CB 4.49Å; V2450-F2460 HydrophobicContact CB-CE2 3.62Å; V2450-F2460 HydrophobicContact CB-CZ 3.79Å; V2450-F2460 HydrophobicContact CG1-CD2 3.93Å; V2450-F2460 HydrophobicContact CG1-CE1 4.33Å; V2450-F2460 HydrophobicContact CG1-CE2 3.31Å; V2450-F2460 HydrophobicContact CG1-CZ 3.59Å; V2450-F2460 HydrophobicContact CG2-CE1 4.11Å; V2450-F2460 HydrophobicContact CG2-CE2 3.37Å; V2450-F2460 HydrophobicContact CG2-CZ 3.04Å | ||
| 2451 | I | 29.4 | Very low | 32.3 | Very low | 93.2 Ų | 93.2 | 85 Ų | 85 | 48% | 0.478 | 47% | 0.468 | S | S | . | . | trans | -75.1 | 15 | 178.8 | -61 | 172.9 | 0 | 0 | 0 | 110.8 | S2008 Q2009 K2447 L2448 N2449 N2453 C2454 V2455 I2462 M2470 | S2008-I2451 PolarHBondContact OG-N 2.83Å; Q2009-I2451 PolarHBondContact OE1-O 3.47Å; K2447-I2451 HydrophobicContact CG-CD1 4.05Å; K2447-I2451 PolarHBondContact O-N 3.19Å; L2448-I2451 PolarHBondContact O-N 3.49Å; N2449-I2451 PolarHBondContact O-N 3.16Å; I2451-N2453 HydrophobicContact CG2-CB 4.38Å; I2451-N2453 PolarHBondContact O-N 3.38Å; I2451-C2454 PolarHBondContact O-N 3.31Å; I2451-V2455 VanDerWaalsContact O-CG2 3.25Å; I2451-V2455 WeakPolarHBondContact O-CG2 3.47Å; I2451-I2462 HydrophobicContact CD1-CD1 4.05Å; I2451-I2462 HydrophobicContact CG1-CD1 4.41Å; I2451-M2470 HydrophobicContact CD1-CE 3.66Å; I2451-M2470 HydrophobicContact CD1-SD 4.31Å; I2451-M2470 HydrophobicContact CG1-CE 4.12Å; I2451-M2470 HydrophobicContact CG2-CE 4.25Å; I2451-M2470 HydrophobicContact CG2-SD 4.25Å | ||
| 2452 | Q | 28.7 | Very low | 32.3 | Very low | 118.2 Ų | 118.2 | 82.1 Ų | 82.1 | 55% | 0.552 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -12.5 | -175.2 | -80.1 | -178 | -27.5 | 0 | 0 | 115 | S2006 S2008 N2449 V2450 V2455 N2456 Q2544 | S2006-Q2452 PolarHBondContact O-OE1 3.21Å; S2006-Q2452 VanDerWaalsContact OG-CD 3.26Å; S2006-Q2452 PolarHBondContact OG-OE1 2.89Å; S2008-Q2452 CarbonylContact O-C 3.55Å; S2008-Q2452 WeakPolarHBondContact OG-CB 3.45Å; S2008-Q2452 PolarHBondContact OG-N 3.07Å; N2449-Q2452 PolarHBondContact O-N 2.86Å; V2450-Q2452 VanDerWaalsContact C-N 3.33Å; V2450-Q2452 HydrophobicContact CB-CG 4.44Å; V2450-Q2452 HydrophobicContact CG1-CG 3.71Å; V2450-Q2452 PolarHBondContact O-N 3Å; Q2452-V2455 WeakPolarHBondContact O-CB 3.33Å; Q2452-V2455 WeakPolarHBondContact O-CG2 3.25Å; Q2452-N2456 PolarHBondContact O-ND2 2.71Å; Q2452-Q2544 PolarHBondContact O-NE2 3.45Å |
| 2453 | N | 28 | Very low | 32.6 | Very low | 108 Ų | 108 | 84 Ų | 84 | 58% | 0.578 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 1.3 | 179.8 | -67.5 | -12.1 | 0 | 0 | 0 | 114.4 | L2005 S2008 Q2009 N2449 V2450 I2451 V2455 Q2544 | L2005-N2453 WeakPolarHBondContact CA-OD1 3.46Å; L2005-N2453 HydrophobicContact CB-CB 4.47Å; L2005-N2453 VanDerWaalsContact CB-OD1 3.22Å; L2005-N2453 WeakPolarHBondContact CB-OD1 3.33Å; L2005-N2453 HydrophobicContact CD2-CB 3.56Å; L2005-N2453 PolarHBondContact O-OD1 3.19Å; S2008-N2453 WeakPolarHBondContact O-CA 3.37Å; S2008-N2453 WeakPolarHBondContact O-CB 3.23Å; S2008-N2453 PolarHBondContact O-N 3.06Å; S2008-N2453 PolarHBondContact O-ND2 3.07Å; S2008-N2453 VanDerWaalsContact O-ND2 3.16Å; S2008-N2453 PolarHBondContact O-OD1 2.79Å; S2008-N2453 VanDerWaalsContact O-OD1 3.08Å; Q2009-N2453 HydrophobicContact CB-CB 3.77Å; Q2009-N2453 WeakPolarHBondContact O-CB 3.45Å; Q2009-N2453 PolarHBondContact O-ND2 3.27Å; N2449-N2453 PolarHBondContact O-ND2 2.96Å; V2450-N2453 PolarHBondContact O-N 2.99Å; I2451-N2453 HydrophobicContact CG2-CB 4.38Å; I2451-N2453 PolarHBondContact O-N 3.38Å; N2453-V2455 PolarHBondContact O-N 3.13Å; N2453-Q2544 HydrophobicContact CB-CB 4.46Å; N2453-Q2544 PolarHBondContact O-NE2 3.37Å |
| 2454 | C | 28.2 | Very low | 32.9 | Very low | 49.2 Ų | 49.2 | 83.8 Ų | 83.8 | 33% | 0.332 | 47% | 0.469 | S | S | . | . | trans | -71.1 | 0.2 | 164.4 | -69.5 | 0 | 0 | 0 | 0 | 112 | Q2009 V2450 I2451 N2456 S2457 F2460 L2509 | Q2009-C2454 PolarHBondContact OE1-SG 3.03Å; V2450-C2454 PolarHBondContact O-N 3.14Å; V2450-C2454 PolarHBondContact O-SG 3.34Å; V2450-C2454 VanDerWaalsContact O-SG 3.34Å; I2451-C2454 PolarHBondContact O-N 3.31Å; C2454-N2456 VanDerWaalsContact C-N 3.32Å; C2454-N2456 PolarHBondContact O-N 3.05Å; C2454-N2456 VanDerWaalsContact O-N 3.14Å; C2454-S2457 VanDerWaalsContact CB-OG 3.26Å; C2454-S2457 WeakPolarHBondContact CB-OG 3.38Å; C2454-S2457 PolarHBondContact O-N 3.12Å; C2454-S2457 PolarHBondContact O-OG 2.8Å; C2454-S2457 VanDerWaalsContact O-OG 3.1Å; C2454-F2460 HydrophobicContact CB-CE1 4.34Å; C2454-F2460 HydrophobicContact CB-CE2 4.39Å; C2454-F2460 HydrophobicContact CB-CZ 4.06Å; C2454-F2460 WeakPolarHBondContact O-CD2 3.23Å; C2454-F2460 WeakPolarHBondContact O-CE2 3.4Å; C2454-L2509 HydrophobicContact CB-CD1 3.96Å; C2454-L2509 WeakPolarHBondContact SG-CD1 3.49Å | ||
| 2455 | V | 27.6 | Very low | 33.3 | Very low | 86.2 Ų | 86.2 | 88.1 Ų | 88.1 | 52% | 0.522 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 10.1 | -177.7 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | I2451 Q2452 N2453 S2457 F2460 I2462 | I2451-V2455 VanDerWaalsContact O-CG2 3.25Å; I2451-V2455 WeakPolarHBondContact O-CG2 3.47Å; Q2452-V2455 WeakPolarHBondContact O-CB 3.33Å; Q2452-V2455 WeakPolarHBondContact O-CG2 3.25Å; N2453-V2455 PolarHBondContact O-N 3.13Å; V2455-S2457 PolarHBondContact O-N 3.01Å; V2455-S2457 PolarHBondContact O-OG 3.1Å; V2455-F2460 HydrophobicContact CB-CB 4.47Å; V2455-F2460 HydrophobicContact CG1-CB 4.49Å; V2455-F2460 HydrophobicContact CG2-CB 4.37Å; V2455-I2462 HydrophobicContact CG2-CD1 3.55Å; V2455-I2462 HydrophobicContact CG2-CG1 4.5Å |
| 2456 | N | 31.3 | Very low | 33.9 | Very low | 130.4 Ų | 130.4 | 86.4 Ų | 86.4 | 70% | 0.697 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129 | 19.1 | 178.3 | -70.3 | -34.4 | 0 | 0 | 0 | 115.6 | S2004 L2005 Q2452 C2454 T2458 | S2004-N2456 PolarHBondContact O-ND2 2.95Å; L2005-N2456 HydrophobicContact CD2-CB 3.65Å; Q2452-N2456 PolarHBondContact O-ND2 2.71Å; C2454-N2456 VanDerWaalsContact C-N 3.32Å; C2454-N2456 PolarHBondContact O-N 3.05Å; C2454-N2456 VanDerWaalsContact O-N 3.14Å; N2456-T2458 PolarHBondContact O-N 3.12Å; N2456-T2458 VanDerWaalsContact O-N 3.09Å; N2456-T2458 PolarHBondContact O-OG1 3.31Å |
| 2457 | S | 28.9 | Very low | 34.5 | Very low | 90.2 Ų | 90.2 | 86.6 Ų | 86.6 | 63% | 0.631 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.4 | 70.9 | 170.7 | 52.3 | 0 | 0 | 0 | 0 | 115.6 | C2454 V2455 | C2454-S2457 VanDerWaalsContact CB-OG 3.26Å; C2454-S2457 WeakPolarHBondContact CB-OG 3.38Å; C2454-S2457 PolarHBondContact O-N 3.12Å; C2454-S2457 PolarHBondContact O-OG 2.8Å; C2454-S2457 VanDerWaalsContact O-OG 3.1Å; V2455-S2457 PolarHBondContact O-N 3.01Å; V2455-S2457 PolarHBondContact O-OG 3.1Å |
| 2458 | T | 30 | Very low | 35.2 | Very low | 97.4 Ų | 97.4 | 84 Ų | 84 | 60% | 0.598 | 46% | 0.462 | S | S | * | . | trans | -50.8 | 135.9 | -174.6 | 19 | 0 | 0 | 0 | 0 | 113.3 | L2411 N2456 F2460 | L2411-T2458 VanDerWaalsContact O-CG2 3.3Å; L2411-T2458 WeakPolarHBondContact O-CG2 3.43Å; N2456-T2458 PolarHBondContact O-N 3.12Å; N2456-T2458 VanDerWaalsContact O-N 3.09Å; N2456-T2458 PolarHBondContact O-OG1 3.31Å; T2458-F2460 VanDerWaalsContact O-CD2 3.32Å; T2458-F2460 WeakPolarHBondContact O-CD2 3.49Å; T2458-F2460 VanDerWaalsContact O-CE2 3.29Å; T2458-F2460 WeakPolarHBondContact O-CE2 3.46Å; T2458-F2460 PolarHBondContact O-N 2.99Å | ||
| 2459 | P | 32.6 | Very low | 36.1 | Very low | 84 Ų | 84 | 84.5 Ų | 84.5 | 55% | 0.545 | 46% | 0.46 | S | S | . | . | trans | -67.7 | 126.3 | -178.3 | 26.1 | -32.1 | 0 | 0 | 0 | 111.5 | P2410 L2411 T2416 V2450 V2461 | P2410-P2459 HydrophobicContact CB-CB 4.2Å; L2411-P2459 HydrophobicContact CB-CG 4.12Å; L2411-P2459 WeakPolarHBondContact CB-O 3.24Å; L2411-P2459 HydrophobicContact CD1-CB 4.05Å; L2411-P2459 HydrophobicContact CD1-CG 3.91Å; L2411-P2459 WeakPolarHBondContact CG-O 3.44Å; L2411-P2459 PolarHBondContact N-O 3.16Å; L2411-P2459 WeakPolarHBondContact O-CA 3.26Å; L2411-P2459 WeakPolarHBondContact O-CB 3.45Å; T2416-P2459 HydrophobicContact CG2-CG 3.91Å; V2450-P2459 HydrophobicContact CG1-CB 4.49Å; P2459-V2461 PolarHBondContact O-N 3.25Å; P2459-V2461 VanDerWaalsContact O-N 3.16Å | ||
| 2460 | F | 35 | Very low | 36.9 | Very low | 69.8 Ų | 69.8 | 83.2 Ų | 83.2 | 31% | 0.306 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 114.8 | 178.8 | -111.6 | -93.5 | 0 | 0 | 0 | 110.6 | I2408 P2410 L2411 T2416 F2446 N2449 V2450 C2454 V2455 T2458 I2462 | I2408-F2460 HydrophobicContact CG2-CB 3.82Å; I2408-F2460 HydrophobicContact CG2-CD1 3.75Å; I2408-F2460 HydrophobicContact CG2-CG 4.12Å; P2410-F2460 HydrophobicContact CB-CD1 4.19Å; P2410-F2460 HydrophobicContact CB-CE1 4.07Å; L2411-F2460 HydrophobicContact CB-CB 4.34Å; L2411-F2460 HydrophobicContact CD1-CD1 4.23Å; L2411-F2460 HydrophobicContact CD2-CE1 3.69Å; L2411-F2460 HydrophobicContact CD2-CZ 3.7Å; L2411-F2460 HydrophobicContact CG-CE1 4.1Å; L2411-F2460 PolarHBondContact N-O 3.2Å; L2411-F2460 PolarHBondContact O-N 3.29Å; L2411-F2460 VanDerWaalsContact O-N 3.1Å; T2416-F2460 HydrophobicContact CG2-CB 3.99Å; T2416-F2460 HydrophobicContact CG2-CG 4.42Å; F2446-F2460 HydrophobicContact CE2-CE1 4.28Å; F2446-F2460 HydrophobicContact CE2-CZ 4.42Å; F2446-F2460 HydrophobicContact CZ-CE1 4.39Å; N2449-F2460 HydrophobicContact CB-CE2 3.88Å; N2449-F2460 HydrophobicContact CB-CZ 3.52Å; V2450-F2460 HydrophobicContact CB-CE2 3.62Å; V2450-F2460 HydrophobicContact CB-CZ 3.79Å; V2450-F2460 HydrophobicContact CG1-CD2 3.93Å; V2450-F2460 HydrophobicContact CG1-CE1 4.33Å; V2450-F2460 HydrophobicContact CG1-CE2 3.31Å; V2450-F2460 HydrophobicContact CG1-CZ 3.59Å; V2450-F2460 HydrophobicContact CG2-CE1 4.11Å; V2450-F2460 HydrophobicContact CG2-CE2 3.37Å; V2450-F2460 HydrophobicContact CG2-CZ 3.04Å; C2454-F2460 HydrophobicContact CB-CE1 4.34Å; C2454-F2460 HydrophobicContact CB-CE2 4.39Å; C2454-F2460 HydrophobicContact CB-CZ 4.06Å; C2454-F2460 WeakPolarHBondContact O-CD2 3.23Å; C2454-F2460 WeakPolarHBondContact O-CE2 3.4Å; V2455-F2460 HydrophobicContact CB-CB 4.47Å; V2455-F2460 HydrophobicContact CG1-CB 4.49Å; V2455-F2460 HydrophobicContact CG2-CB 4.37Å; T2458-F2460 VanDerWaalsContact O-CD2 3.32Å; T2458-F2460 WeakPolarHBondContact O-CD2 3.49Å; T2458-F2460 VanDerWaalsContact O-CE2 3.29Å; T2458-F2460 WeakPolarHBondContact O-CE2 3.46Å; T2458-F2460 PolarHBondContact O-N 2.99Å; F2460-I2462 HydrophobicContact CB-CG1 4.35Å; F2460-I2462 HydrophobicContact CD1-CD1 4.14Å; F2460-I2462 HydrophobicContact CD1-CG1 3.75Å; F2460-I2462 HydrophobicContact CE1-CD1 4.13Å; F2460-I2462 HydrophobicContact CE1-CG1 3.68Å; F2460-I2462 HydrophobicContact CE1-CG2 4.48Å; F2460-I2462 PolarHBondContact O-N 3.09Å; F2460-I2462 VanDerWaalsContact O-N 3.14Å |
| 2461 | V | 36.4 | Very low | 37.8 | Very low | 90.8 Ų | 90.8 | 84.2 Ų | 84.2 | 55% | 0.55 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 100.3 | 179.8 | 174.1 | 0 | 0 | 0 | 0 | 110.1 | I2408 C2409 L2411 L2448 P2459 N2463 | I2408-V2461 HydrophobicContact CB-CG1 4.33Å; I2408-V2461 HydrophobicContact CD1-CG1 4.41Å; I2408-V2461 HydrophobicContact CG1-CG1 4.27Å; I2408-V2461 HydrophobicContact CG2-CB 3.89Å; I2408-V2461 HydrophobicContact CG2-CG1 3.23Å; I2408-V2461 HydrophobicContact CG2-CG2 3.69Å; C2409-V2461 HydrophobicContact CB-CB 4.17Å; C2409-V2461 HydrophobicContact CB-CG1 4.49Å; C2409-V2461 PolarHBondContact O-N 3.22Å; L2411-V2461 HydrophobicContact CD1-CG2 3.93Å; L2411-V2461 HydrophobicContact CD2-CG2 3.75Å; L2411-V2461 HydrophobicContact CG-CG2 3.83Å; L2448-V2461 HydrophobicContact CD2-CG1 3.75Å; L2448-V2461 HydrophobicContact CD2-CG2 4.33Å; P2459-V2461 PolarHBondContact O-N 3.25Å; P2459-V2461 VanDerWaalsContact O-N 3.16Å; V2461-N2463 PolarHBondContact O-N 3.22Å |
| 2462 | I | 40.2 | Very low | 38.8 | Very low | 41 Ų | 41 | 83.7 Ų | 83.7 | 21% | 0.21 | 45% | 0.452 | C | S | . | . | trans | -88.4 | 114.1 | 174.5 | -43.3 | -179.4 | 0 | 0 | 0 | 109.2 | L2400 C2409 L2411 I2451 V2455 F2460 S2464 T2466 K2467 M2470 | L2400-I2462 HydrophobicContact CD2-CD1 3.89Å; C2409-I2462 HydrophobicContact CB-CG1 4.28Å; C2409-I2462 PolarHBondContact N-O 3.31Å; C2409-I2462 WeakPolarHBondContact O-CG1 3.3Å; C2409-I2462 PolarHBondContact O-N 3.27Å; L2411-I2462 HydrophobicContact CD1-CD1 3.71Å; L2411-I2462 HydrophobicContact CD1-CG1 4.43Å; L2411-I2462 HydrophobicContact CD2-CD1 4.46Å; L2411-I2462 HydrophobicContact CG-CD1 4.04Å; L2411-I2462 HydrophobicContact CG-CG1 4.35Å; I2451-I2462 HydrophobicContact CD1-CD1 4.05Å; I2451-I2462 HydrophobicContact CG1-CD1 4.41Å; V2455-I2462 HydrophobicContact CG2-CD1 3.55Å; V2455-I2462 HydrophobicContact CG2-CG1 4.5Å; F2460-I2462 HydrophobicContact CB-CG1 4.35Å; F2460-I2462 HydrophobicContact CD1-CD1 4.14Å; F2460-I2462 HydrophobicContact CD1-CG1 3.75Å; F2460-I2462 HydrophobicContact CE1-CD1 4.13Å; F2460-I2462 HydrophobicContact CE1-CG1 3.68Å; F2460-I2462 HydrophobicContact CE1-CG2 4.48Å; F2460-I2462 PolarHBondContact O-N 3.09Å; F2460-I2462 VanDerWaalsContact O-N 3.14Å; I2462-S2464 PolarHBondContact O-N 2.75Å; I2462-T2466 HydrophobicContact CG2-CG2 4.11Å; I2462-K2467 HydrophobicContact CG2-CB 4.1Å; I2462-M2470 HydrophobicContact CD1-CE 4.5Å; I2462-M2470 HydrophobicContact CD1-SD 3.92Å; I2462-M2470 HydrophobicContact CG2-SD 4.42Å | ||
| 2463 | N | 41.9 | Very low | 39.7 | Very low | 80.8 Ų | 80.8 | 80.1 Ų | 80.1 | 43% | 0.432 | 44% | 0.436 | S | S | . | . | trans | -59.6 | 148.1 | 171.5 | 139 | 2.3 | 0 | 0 | 0 | 111.2 | E2407 V2461 K2465 T2466 K2467 | E2407-N2463 CarbonylContact O-C 3.45Å; E2407-N2463 WeakPolarHBondContact O-CA 3.13Å; V2461-N2463 PolarHBondContact O-N 3.22Å; N2463-K2465 VanDerWaalsContact C-N 3.3Å; N2463-K2465 PolarHBondContact O-N 3.1Å; N2463-K2465 VanDerWaalsContact O-N 3.08Å; N2463-K2465 WeakPolarHBondContact OD1-CB 3.22Å; N2463-K2465 PolarHBondContact OD1-N 3.19Å; N2463-K2465 VanDerWaalsContact OD1-N 3.1Å; N2463-T2466 PolarHBondContact ND2-OG1 2.9Å; N2463-T2466 CarbonylContact O-C 3.55Å; N2463-T2466 WeakPolarHBondContact O-CA 3.36Å; N2463-T2466 WeakPolarHBondContact O-CB 3.27Å; N2463-T2466 PolarHBondContact O-N 3.02Å; N2463-T2466 PolarHBondContact O-OG1 3.48Å; N2463-T2466 PolarHBondContact OD1-N 3.03Å; N2463-T2466 PolarHBondContact OD1-OG1 2.96Å; N2463-K2467 WeakPolarHBondContact O-CB 3.11Å; N2463-K2467 PolarHBondContact O-N 3.23Å | ||
| 2464 | S | 43.6 | Very low | 40.6 | Very low | 66.2 Ų | 66.2 | 77.3 Ų | 77.3 | 46% | 0.463 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -55.9 | -35.3 | -178.1 | 58.9 | 0 | 0 | 0 | 0 | 113.8 | Q2405 E2407 I2462 T2466 K2467 I2468 | Q2405-S2464 WeakPolarHBondContact O-CB 3.28Å; E2407-S2464 PolarHBondContact O-N 3.25Å; I2462-S2464 PolarHBondContact O-N 2.75Å; S2464-T2466 VanDerWaalsContact C-N 3.32Å; S2464-T2466 PolarHBondContact O-N 2.9Å; S2464-K2467 PolarHBondContact O-N 3.2Å; S2464-I2468 WeakPolarHBondContact O-CB 3.37Å; S2464-I2468 WeakPolarHBondContact O-CD1 3.32Å; S2464-I2468 VanDerWaalsContact O-CG1 3.24Å; S2464-I2468 WeakPolarHBondContact O-CG1 3.25Å; S2464-I2468 PolarHBondContact O-N 3Å |
| 2465 | K | 46.3 | Very low | 41.5 | Very low | 151 Ų | 151 | 79.5 Ų | 79.5 | 66% | 0.657 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62 | -42.3 | 172.6 | -78.2 | -176.1 | 175.1 | 179.1 | 0 | 112.3 | N2463 I2468 K2469 | N2463-K2465 VanDerWaalsContact C-N 3.3Å; N2463-K2465 PolarHBondContact O-N 3.1Å; N2463-K2465 VanDerWaalsContact O-N 3.08Å; N2463-K2465 WeakPolarHBondContact OD1-CB 3.22Å; N2463-K2465 PolarHBondContact OD1-N 3.19Å; N2463-K2465 VanDerWaalsContact OD1-N 3.1Å; K2465-I2468 PolarHBondContact O-N 3.08Å; K2465-K2469 WeakPolarHBondContact O-CB 3.23Å; K2465-K2469 WeakPolarHBondContact O-CG 3.33Å; K2465-K2469 PolarHBondContact O-N 2.98Å; K2465-K2469 VanDerWaalsContact O-N 3.11Å |
| 2466 | T | 45.6 | Very low | 42.4 | Very low | 33.8 Ų | 33.8 | 81.4 Ų | 81.4 | 21% | 0.207 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -71 | -36.6 | 179.1 | -43.1 | 0 | 0 | 0 | 0 | 110.9 | F2442 V2445 I2462 N2463 S2464 K2469 M2470 L2496 | F2442-T2466 HydrophobicContact CE2-CG2 4.38Å; V2445-T2466 HydrophobicContact CG1-CG2 4.13Å; I2462-T2466 HydrophobicContact CG2-CG2 4.11Å; N2463-T2466 PolarHBondContact ND2-OG1 2.9Å; N2463-T2466 CarbonylContact O-C 3.55Å; N2463-T2466 WeakPolarHBondContact O-CA 3.36Å; N2463-T2466 WeakPolarHBondContact O-CB 3.27Å; N2463-T2466 PolarHBondContact O-N 3.02Å; N2463-T2466 PolarHBondContact O-OG1 3.48Å; N2463-T2466 PolarHBondContact OD1-N 3.03Å; N2463-T2466 PolarHBondContact OD1-OG1 2.96Å; S2464-T2466 VanDerWaalsContact C-N 3.32Å; S2464-T2466 PolarHBondContact O-N 2.9Å; T2466-K2469 WeakPolarHBondContact O-CB 3.43Å; T2466-K2469 PolarHBondContact O-N 3.1Å; T2466-M2470 WeakPolarHBondContact O-CB 3.41Å; T2466-M2470 WeakPolarHBondContact O-CG 3.38Å; T2466-M2470 PolarHBondContact O-N 2.9Å; T2466-L2496 HydrophobicContact CG2-CD2 4.1Å |
| 2467 | K | 46.3 | Very low | 43 | Very low | 52.8 Ų | 52.8 | 75.8 Ų | 75.8 | 23% | 0.23 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.4 | -49.8 | 172.1 | 177.5 | 177.1 | 172.9 | 172.3 | 0 | 111.8 | L2400 T2403 D2404 C2409 K2447 N2449 I2462 N2463 S2464 K2469 M2470 Q2471 | L2400-K2467 HydrophobicContact CD2-CG 4.3Å; L2400-K2467 WeakPolarHBondContact O-CE 3.4Å; L2400-K2467 PolarHBondContact O-NZ 3.14Å; L2400-K2467 VanDerWaalsContact O-NZ 3.13Å; T2403-K2467 VanDerWaalsContact C-NZ 3.27Å; T2403-K2467 PolarHBondContact O-NZ 3.22Å; T2403-K2467 PolarHBondContact OG1-NZ 3.28Å; D2404-K2467 PolarHBondContact O-NZ 2.81Å; D2404-K2467 VanDerWaalsContact O-NZ 3.11Å; C2409-K2467 HydrophobicContact CB-CD 4.25Å; K2447-K2467 WeakPolarHBondContact O-CD 3.49Å; K2447-K2467 PolarHBondContact O-NZ 3.21Å; N2449-K2467 WeakPolarHBondContact OD1-CE 3.33Å; N2449-K2467 PolarHBondContact OD1-NZ 3.2Å; I2462-K2467 HydrophobicContact CG2-CB 4.1Å; N2463-K2467 WeakPolarHBondContact O-CB 3.11Å; N2463-K2467 PolarHBondContact O-N 3.23Å; S2464-K2467 PolarHBondContact O-N 3.2Å; K2467-K2469 VanDerWaalsContact C-N 3.32Å; K2467-K2469 PolarHBondContact O-N 3.17Å; K2467-M2470 CarbonylContact O-C 3.59Å; K2467-M2470 WeakPolarHBondContact O-CB 3.47Å; K2467-M2470 PolarHBondContact O-N 3.3Å; K2467-M2470 VanDerWaalsContact O-N 3.11Å; K2467-Q2471 VanDerWaalsContact CE-OE1 3.3Å; K2467-Q2471 HydrophobicContact CG-CG 4.48Å; K2467-Q2471 WeakPolarHBondContact O-CB 3.37Å; K2467-Q2471 WeakPolarHBondContact O-CG 3.32Å; K2467-Q2471 PolarHBondContact O-N 3.15Å |
| 2468 | I | 48.9 | Very low | 43.6 | Very low | 92.4 Ų | 92.4 | 72.7 Ų | 72.7 | 47% | 0.474 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 178.2 | -67.6 | 164.1 | 0 | 0 | 0 | 110.8 | S2464 K2465 M2470 Q2471 N2472 | S2464-I2468 WeakPolarHBondContact O-CB 3.37Å; S2464-I2468 WeakPolarHBondContact O-CD1 3.32Å; S2464-I2468 VanDerWaalsContact O-CG1 3.24Å; S2464-I2468 WeakPolarHBondContact O-CG1 3.25Å; S2464-I2468 PolarHBondContact O-N 3Å; K2465-I2468 PolarHBondContact O-N 3.08Å; I2468-M2470 VanDerWaalsContact C-N 3.26Å; I2468-M2470 PolarHBondContact O-N 3.26Å; I2468-Q2471 PolarHBondContact O-N 2.96Å; I2468-N2472 VanDerWaalsContact O-CB 3.27Å; I2468-N2472 WeakPolarHBondContact O-CB 3.37Å; I2468-N2472 PolarHBondContact O-N 3.19Å; I2468-N2472 VanDerWaalsContact O-N 3.12Å; I2468-N2472 PolarHBondContact O-ND2 3.32Å; I2468-N2472 PolarHBondContact O-OD1 3.45Å |
| 2469 | K | 47.9 | Very low | 44.2 | Very low | 113.2 Ų | 113.2 | 74.4 Ų | 74.4 | 49% | 0.492 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 172.2 | -80.7 | -170 | 173 | -165 | 0 | 112 | E2407 D2439 D2441 F2442 K2465 T2466 K2467 Q2471 N2472 I2473 | E2407-K2469 IonicContact OE1-NZ 3.36Å; E2407-K2469 IonicContact OE2-NZ 3.04Å; E2407-K2469 PolarHBondContact OE2-NZ 3.24Å; D2439-K2469 IonicContact OD1-NZ 3.01Å; D2441-K2469 IonicContact OD2-NZ 2.98Å; F2442-K2469 HydrophobicContact CD2-CB 4.36Å; K2465-K2469 WeakPolarHBondContact O-CB 3.23Å; K2465-K2469 WeakPolarHBondContact O-CG 3.33Å; K2465-K2469 PolarHBondContact O-N 2.98Å; K2465-K2469 VanDerWaalsContact O-N 3.11Å; T2466-K2469 WeakPolarHBondContact O-CB 3.43Å; T2466-K2469 PolarHBondContact O-N 3.1Å; K2467-K2469 VanDerWaalsContact C-N 3.32Å; K2467-K2469 PolarHBondContact O-N 3.17Å; K2469-Q2471 VanDerWaalsContact C-N 3.31Å; K2469-Q2471 PolarHBondContact O-N 3.14Å; K2469-N2472 CarbonylContact O-C 3.6Å; K2469-N2472 PolarHBondContact O-N 3.03Å; K2469-I2473 WeakPolarHBondContact O-CB 3.36Å; K2469-I2473 VanDerWaalsContact O-CD1 3.27Å; K2469-I2473 WeakPolarHBondContact O-CD1 3.38Å; K2469-I2473 VanDerWaalsContact O-CG1 3.29Å; K2469-I2473 WeakPolarHBondContact O-CG1 3.24Å; K2469-I2473 PolarHBondContact O-N 2.98Å; K2469-I2473 VanDerWaalsContact O-N 3.15Å |
| 2470 | M | 47.5 | Very low | 44.6 | Very low | 50 Ų | 50 | 72.5 Ų | 72.5 | 25% | 0.246 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.3 | -38.1 | 177.3 | -83.2 | -177.8 | 159.6 | 0 | 0 | 112.7 | L2400 L2419 F2442 F2446 I2451 I2462 T2466 K2467 I2468 N2472 I2473 L2474 L2496 | L2400-M2470 HydrophobicContact CD1-CB 4.13Å; L2400-M2470 HydrophobicContact CD2-CE 4.46Å; L2419-M2470 HydrophobicContact CD1-CE 3.9Å; L2419-M2470 HydrophobicContact CD1-SD 4.38Å; L2419-M2470 HydrophobicContact CD2-CE 3.98Å; L2419-M2470 HydrophobicContact CG-CE 4.33Å; F2442-M2470 HydrophobicContact CE2-CG 3.81Å; F2442-M2470 HydrophobicContact CZ-CE 3.99Å; F2442-M2470 HydrophobicContact CZ-CG 3.77Å; F2446-M2470 HydrophobicContact CD2-CE 3.99Å; F2446-M2470 HydrophobicContact CE2-CE 3.71Å; F2446-M2470 HydrophobicContact CZ-CE 3.82Å; I2451-M2470 HydrophobicContact CD1-CE 3.66Å; I2451-M2470 HydrophobicContact CD1-SD 4.31Å; I2451-M2470 HydrophobicContact CG1-CE 4.12Å; I2451-M2470 HydrophobicContact CG2-CE 4.25Å; I2451-M2470 HydrophobicContact CG2-SD 4.25Å; I2462-M2470 HydrophobicContact CD1-CE 4.5Å; I2462-M2470 HydrophobicContact CD1-SD 3.92Å; I2462-M2470 HydrophobicContact CG2-SD 4.42Å; T2466-M2470 WeakPolarHBondContact O-CB 3.41Å; T2466-M2470 WeakPolarHBondContact O-CG 3.38Å; T2466-M2470 PolarHBondContact O-N 2.9Å; K2467-M2470 CarbonylContact O-C 3.59Å; K2467-M2470 WeakPolarHBondContact O-CB 3.47Å; K2467-M2470 PolarHBondContact O-N 3.3Å; K2467-M2470 VanDerWaalsContact O-N 3.11Å; I2468-M2470 VanDerWaalsContact C-N 3.26Å; I2468-M2470 PolarHBondContact O-N 3.26Å; M2470-N2472 PolarHBondContact O-N 2.76Å; M2470-I2473 WeakPolarHBondContact O-CB 3.25Å; M2470-I2473 PolarHBondContact O-N 2.93Å; M2470-L2474 HydrophobicContact CB-CD1 4.43Å; M2470-L2474 VanDerWaalsContact O-CB 3.26Å; M2470-L2474 WeakPolarHBondContact O-CB 3.22Å; M2470-L2474 WeakPolarHBondContact O-CD1 3.06Å; M2470-L2474 VanDerWaalsContact O-CG 3.27Å; M2470-L2474 WeakPolarHBondContact O-CG 3.27Å; M2470-L2474 PolarHBondContact O-N 3.11Å; M2470-L2496 HydrophobicContact CE-CD1 4.49Å |
| 2471 | Q | 48.9 | Very low | 44.8 | Very low | 69.4 Ų | 69.4 | 71.2 Ų | 71.2 | 32% | 0.324 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.8 | -47.9 | 176.5 | -72 | 179.9 | -84 | 0 | 0 | 111.4 | L2400 K2467 I2468 K2469 I2473 L2474 E2475 | L2400-Q2471 VanDerWaalsContact C-NE2 3.3Å; L2400-Q2471 HydrophobicContact CB-CG 3.82Å; L2400-Q2471 HydrophobicContact CD1-CG 4.28Å; L2400-Q2471 PolarHBondContact O-NE2 2.85Å; K2467-Q2471 VanDerWaalsContact CE-OE1 3.3Å; K2467-Q2471 HydrophobicContact CG-CG 4.48Å; K2467-Q2471 WeakPolarHBondContact O-CB 3.37Å; K2467-Q2471 WeakPolarHBondContact O-CG 3.32Å; K2467-Q2471 PolarHBondContact O-N 3.15Å; I2468-Q2471 PolarHBondContact O-N 2.96Å; K2469-Q2471 VanDerWaalsContact C-N 3.31Å; K2469-Q2471 PolarHBondContact O-N 3.14Å; Q2471-I2473 VanDerWaalsContact C-N 3.27Å; Q2471-I2473 PolarHBondContact O-N 3.24Å; Q2471-I2473 VanDerWaalsContact O-N 3.16Å; Q2471-L2474 CarbonylContact O-C 3.25Å; Q2471-L2474 WeakPolarHBondContact O-CB 3.32Å; Q2471-L2474 PolarHBondContact O-N 3.21Å; Q2471-L2474 VanDerWaalsContact O-N 3.17Å; Q2471-E2475 VanDerWaalsContact O-CB 3.28Å; Q2471-E2475 WeakPolarHBondContact O-CB 3.14Å; Q2471-E2475 VanDerWaalsContact O-CG 3.23Å; Q2471-E2475 WeakPolarHBondContact O-CG 3.42Å; Q2471-E2475 PolarHBondContact O-N 3.12Å |
| 2472 | N | 50 | Low | 44.8 | Very low | 83.2 Ų | 83.2 | 71.1 Ų | 71.1 | 45% | 0.445 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.3 | -32.4 | 176.4 | -76.6 | -9.9 | 0 | 0 | 0 | 113.2 | I2468 K2469 M2470 L2474 E2475 K2476 | I2468-N2472 VanDerWaalsContact O-CB 3.27Å; I2468-N2472 WeakPolarHBondContact O-CB 3.37Å; I2468-N2472 PolarHBondContact O-N 3.19Å; I2468-N2472 VanDerWaalsContact O-N 3.12Å; I2468-N2472 PolarHBondContact O-ND2 3.32Å; I2468-N2472 PolarHBondContact O-OD1 3.45Å; K2469-N2472 CarbonylContact O-C 3.6Å; K2469-N2472 PolarHBondContact O-N 3.03Å; M2470-N2472 PolarHBondContact O-N 2.76Å; N2472-L2474 VanDerWaalsContact C-N 3.3Å; N2472-E2475 WeakPolarHBondContact CA-OE2 3.48Å; N2472-K2476 VanDerWaalsContact O-CB 3.25Å; N2472-K2476 WeakPolarHBondContact O-CB 3.3Å; N2472-K2476 WeakPolarHBondContact O-CD 3.23Å; N2472-K2476 VanDerWaalsContact O-CG 3.31Å; N2472-K2476 WeakPolarHBondContact O-CG 3.34Å; N2472-K2476 PolarHBondContact O-N 3.17Å; N2472-K2476 VanDerWaalsContact O-N 3.13Å |
| 2473 | I | 47.9 | Very low | 44.8 | Very low | 43.2 Ų | 43.2 | 72.4 Ų | 72.4 | 22% | 0.222 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.4 | -46.7 | 175 | -69.6 | 166.1 | 0 | 0 | 0 | 110.1 | E2367 I2399 L2436 F2442 K2469 M2470 Q2471 E2475 K2476 V2477 H2492 | E2367-I2473 HydrophobicContact CG-CG1 4.34Å; E2367-I2473 HydrophobicContact CG-CG2 4.38Å; E2367-I2473 WeakPolarHBondContact OE2-CG1 3.47Å; I2399-I2473 HydrophobicContact CD1-CG2 3.89Å; I2399-I2473 HydrophobicContact CG2-CD1 4.29Å; L2436-I2473 HydrophobicContact CD2-CG2 4.28Å; F2442-I2473 HydrophobicContact CB-CD1 4.09Å; F2442-I2473 HydrophobicContact CD1-CD1 3.55Å; F2442-I2473 HydrophobicContact CD2-CD1 3.5Å; F2442-I2473 HydrophobicContact CE1-CD1 3.81Å; F2442-I2473 HydrophobicContact CE2-CD1 3.72Å; F2442-I2473 HydrophobicContact CG-CD1 3.84Å; F2442-I2473 VanDerWaalsContact CG-CD1 3.47Å; F2442-I2473 HydrophobicContact CZ-CD1 3.99Å; K2469-I2473 WeakPolarHBondContact O-CB 3.36Å; K2469-I2473 VanDerWaalsContact O-CD1 3.27Å; K2469-I2473 WeakPolarHBondContact O-CD1 3.38Å; K2469-I2473 VanDerWaalsContact O-CG1 3.29Å; K2469-I2473 WeakPolarHBondContact O-CG1 3.24Å; K2469-I2473 PolarHBondContact O-N 2.98Å; K2469-I2473 VanDerWaalsContact O-N 3.15Å; M2470-I2473 WeakPolarHBondContact O-CB 3.25Å; M2470-I2473 PolarHBondContact O-N 2.93Å; Q2471-I2473 VanDerWaalsContact C-N 3.27Å; Q2471-I2473 PolarHBondContact O-N 3.24Å; Q2471-I2473 VanDerWaalsContact O-N 3.16Å; I2473-E2475 VanDerWaalsContact C-N 3.29Å; I2473-E2475 PolarHBondContact O-N 2.89Å; I2473-K2476 PolarHBondContact O-N 3.22Å; I2473-K2476 VanDerWaalsContact O-N 3.14Å; I2473-V2477 HydrophobicContact CG2-CG2 4.09Å; I2473-V2477 WeakPolarHBondContact O-CB 3.32Å; I2473-V2477 WeakPolarHBondContact O-CG2 3.31Å; I2473-V2477 PolarHBondContact O-N 3.22Å; I2473-H2492 HydrophobicContact CD1-CB 3.65Å; I2473-H2492 HydrophobicContact CG1-CB 3.64Å; I2473-H2492 VanDerWaalsContact CG1-CD2 3.46Å; I2473-H2492 WeakPolarHBondContact CG1-CD2 3.29Å; I2473-H2492 HydrophobicContact CG2-CB 4.3Å |
| 2474 | L | 46.9 | Very low | 44.8 | Very low | 48.8 Ų | 48.8 | 73.6 Ų | 73.6 | 26% | 0.255 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 179.8 | -73.5 | 164.1 | 0 | 0 | 0 | 112.1 | L2389 I2393 L2396 L2400 M2422 M2470 Q2471 N2472 K2476 V2477 C2478 V2517 L2520 | L2389-L2474 HydrophobicContact CD1-CD2 4.34Å; I2393-L2474 HydrophobicContact CG2-CB 4.14Å; I2393-L2474 HydrophobicContact CG2-CD2 3.86Å; L2396-L2474 HydrophobicContact CD2-CD1 3.66Å; L2396-L2474 VanDerWaalsContact CD2-CD1 3.46Å; L2396-L2474 HydrophobicContact CD2-CD2 4.22Å; L2396-L2474 HydrophobicContact CD2-CG 4.5Å; L2400-L2474 HydrophobicContact CD1-CD1 3.42Å; L2400-L2474 VanDerWaalsContact CD1-CD1 3.44Å; M2422-L2474 HydrophobicContact CE-CD2 3.99Å; M2422-L2474 HydrophobicContact SD-CD2 3.56Å; M2422-L2474 VanDerWaalsContact SD-CD2 3.56Å; M2470-L2474 HydrophobicContact CB-CD1 4.43Å; M2470-L2474 VanDerWaalsContact O-CB 3.26Å; M2470-L2474 WeakPolarHBondContact O-CB 3.22Å; M2470-L2474 WeakPolarHBondContact O-CD1 3.06Å; M2470-L2474 VanDerWaalsContact O-CG 3.27Å; M2470-L2474 WeakPolarHBondContact O-CG 3.27Å; M2470-L2474 PolarHBondContact O-N 3.11Å; Q2471-L2474 CarbonylContact O-C 3.25Å; Q2471-L2474 WeakPolarHBondContact O-CB 3.32Å; Q2471-L2474 PolarHBondContact O-N 3.21Å; Q2471-L2474 VanDerWaalsContact O-N 3.17Å; N2472-L2474 VanDerWaalsContact C-N 3.3Å; L2474-K2476 VanDerWaalsContact C-N 3.35Å; L2474-K2476 PolarHBondContact O-N 3.14Å; L2474-V2477 CarbonylContact O-C 3.19Å; L2474-V2477 WeakPolarHBondContact O-CA 3.42Å; L2474-V2477 WeakPolarHBondContact O-CB 3.2Å; L2474-V2477 PolarHBondContact O-N 3.09Å; L2474-V2477 VanDerWaalsContact O-N 3.09Å; L2474-C2478 VanDerWaalsContact O-CB 3.28Å; L2474-C2478 WeakPolarHBondContact O-CB 3.33Å; L2474-C2478 PolarHBondContact O-N 2.96Å; L2474-C2478 PolarHBondContact O-SG 2.99Å; L2474-C2478 VanDerWaalsContact O-SG 3.38Å; L2474-V2517 HydrophobicContact CD2-CG2 4.34Å; L2474-L2520 HydrophobicContact CD2-CD1 4.1Å |
| 2475 | E | 47.3 | Very low | 44.6 | Very low | 94 Ų | 94 | 71.8 Ų | 71.8 | 44% | 0.439 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 175.2 | -111.1 | 163.6 | -159 | 0 | 0 | 111.7 | K2397 Q2471 N2472 I2473 V2477 C2478 Y2479 | K2397-E2475 IonicContact NZ-OE1 3.47Å; K2397-E2475 PolarHBondContact NZ-OE1 3.07Å; Q2471-E2475 VanDerWaalsContact O-CB 3.28Å; Q2471-E2475 WeakPolarHBondContact O-CB 3.14Å; Q2471-E2475 VanDerWaalsContact O-CG 3.23Å; Q2471-E2475 WeakPolarHBondContact O-CG 3.42Å; Q2471-E2475 PolarHBondContact O-N 3.12Å; N2472-E2475 WeakPolarHBondContact CA-OE2 3.48Å; I2473-E2475 VanDerWaalsContact C-N 3.29Å; I2473-E2475 PolarHBondContact O-N 2.89Å; E2475-V2477 VanDerWaalsContact C-N 3.32Å; E2475-V2477 PolarHBondContact O-N 3.39Å; E2475-C2478 VanDerWaalsContact O-CB 3.31Å; E2475-C2478 WeakPolarHBondContact O-CB 3.45Å; E2475-C2478 PolarHBondContact O-N 3.03Å; E2475-C2478 VanDerWaalsContact O-N 3.11Å; E2475-Y2479 HydrophobicContact CB-CD2 4.25Å; E2475-Y2479 HydrophobicContact CB-CE2 4.19Å; E2475-Y2479 HydrophobicContact CG-CD2 3.79Å; E2475-Y2479 HydrophobicContact CG-CE2 3.88Å; E2475-Y2479 WeakPolarHBondContact O-CB 3.24Å; E2475-Y2479 VanDerWaalsContact O-CD2 3.24Å; E2475-Y2479 WeakPolarHBondContact O-CD2 3.4Å; E2475-Y2479 PolarHBondContact O-N 3.15Å |
| 2476 | K | 46.5 | Very low | 44.1 | Very low | 127.8 Ų | 127.8 | 68.9 Ų | 68.9 | 56% | 0.556 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.8 | -31.8 | 174.2 | -71.6 | 177.5 | -174 | 177.6 | 0 | 112.9 | E2367 N2472 I2473 L2474 Y2479 A2480 L2488 H2492 | E2367-K2476 HydrophobicContact CG-CD 4.33Å; E2367-K2476 WeakPolarHBondContact OE1-CD 3.31Å; E2367-K2476 WeakPolarHBondContact OE1-CE 3.35Å; E2367-K2476 IonicContact OE1-NZ 2.69Å; E2367-K2476 PolarHBondContact OE1-NZ 2.9Å; N2472-K2476 VanDerWaalsContact O-CB 3.25Å; N2472-K2476 WeakPolarHBondContact O-CB 3.3Å; N2472-K2476 WeakPolarHBondContact O-CD 3.23Å; N2472-K2476 VanDerWaalsContact O-CG 3.31Å; N2472-K2476 WeakPolarHBondContact O-CG 3.34Å; N2472-K2476 PolarHBondContact O-N 3.17Å; N2472-K2476 VanDerWaalsContact O-N 3.13Å; I2473-K2476 PolarHBondContact O-N 3.22Å; I2473-K2476 VanDerWaalsContact O-N 3.14Å; L2474-K2476 VanDerWaalsContact C-N 3.35Å; L2474-K2476 PolarHBondContact O-N 3.14Å; K2476-Y2479 CarbonylContact O-C 3.58Å; K2476-A2480 WeakPolarHBondContact O-CA 3.36Å; K2476-A2480 VanDerWaalsContact O-CB 3.29Å; K2476-A2480 WeakPolarHBondContact O-CB 3.23Å; K2476-A2480 PolarHBondContact O-N 3.24Å; K2476-A2480 VanDerWaalsContact O-N 3.09Å; K2476-L2488 HydrophobicContact CB-CD1 4.43Å; K2476-L2488 HydrophobicContact CB-CD2 4.34Å; K2476-L2488 HydrophobicContact CD-CD2 4.25Å; K2476-H2492 PolarHBondContact NZ-NE2 3.36Å |
| 2477 | V | 44 | Very low | 43.9 | Very low | 11.4 Ų | 11.4 | 70.6 Ų | 70.6 | 7% | 0.069 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.7 | -39.8 | 174.7 | 171 | 0 | 0 | 0 | 0 | 110.9 | N2366 H2392 I2393 I2426 F2432 I2473 L2474 E2475 Y2479 A2480 Q2481 I2485 L2488 I2489 | N2366-V2477 HydrophobicContact CB-CB 3.92Å; N2366-V2477 HydrophobicContact CB-CG1 4.01Å; N2366-V2477 HydrophobicContact CB-CG2 3.5Å; N2366-V2477 PolarHBondContact ND2-O 3.33Å; N2366-V2477 WeakPolarHBondContact O-CG2 3.27Å; H2392-V2477 HydrophobicContact CB-CG1 4.05Å; H2392-V2477 WeakPolarHBondContact CD2-CG1 3.45Å; H2392-V2477 VanDerWaalsContact NE2-CG1 3.25Å; H2392-V2477 WeakPolarHBondContact NE2-CG1 3.37Å; H2392-V2477 PolarHBondContact NE2-O 3.4Å; I2393-V2477 HydrophobicContact CD1-CG1 3.62Å; I2393-V2477 HydrophobicContact CG1-CG1 4.3Å; I2393-V2477 HydrophobicContact CG2-CG1 4.45Å; I2426-V2477 HydrophobicContact CD1-CG1 4.22Å; I2426-V2477 HydrophobicContact CD1-CG2 4.4Å; F2432-V2477 HydrophobicContact CD1-CG1 4.43Å; F2432-V2477 HydrophobicContact CD1-CG2 4.06Å; F2432-V2477 HydrophobicContact CE1-CB 3.85Å; F2432-V2477 HydrophobicContact CE1-CG1 3.75Å; F2432-V2477 HydrophobicContact CE1-CG2 3.54Å; F2432-V2477 HydrophobicContact CZ-CB 4.25Å; F2432-V2477 HydrophobicContact CZ-CG1 3.78Å; F2432-V2477 HydrophobicContact CZ-CG2 4.24Å; I2473-V2477 HydrophobicContact CG2-CG2 4.09Å; I2473-V2477 WeakPolarHBondContact O-CB 3.32Å; I2473-V2477 WeakPolarHBondContact O-CG2 3.31Å; I2473-V2477 PolarHBondContact O-N 3.22Å; L2474-V2477 CarbonylContact O-C 3.19Å; L2474-V2477 WeakPolarHBondContact O-CA 3.42Å; L2474-V2477 WeakPolarHBondContact O-CB 3.2Å; L2474-V2477 PolarHBondContact O-N 3.09Å; L2474-V2477 VanDerWaalsContact O-N 3.09Å; E2475-V2477 VanDerWaalsContact C-N 3.32Å; E2475-V2477 PolarHBondContact O-N 3.39Å; V2477-Y2479 PolarHBondContact O-N 3.08Å; V2477-A2480 VanDerWaalsContact O-CB 3.31Å; V2477-A2480 WeakPolarHBondContact O-CB 3.41Å; V2477-A2480 PolarHBondContact O-N 3.39Å; V2477-A2480 VanDerWaalsContact O-N 3.1Å; V2477-Q2481 HydrophobicContact CG1-CG 4.34Å; V2477-Q2481 WeakPolarHBondContact O-CB 3.2Å; V2477-Q2481 WeakPolarHBondContact O-CG 3.24Å; V2477-Q2481 PolarHBondContact O-N 3.28Å; V2477-Q2481 PolarHBondContact O-OE1 3.28Å; V2477-I2485 HydrophobicContact CG1-CG2 4.15Å; V2477-L2488 HydrophobicContact CG2-CB 4.47Å; V2477-I2489 HydrophobicContact CG2-CG1 4.23Å |
| 2478 | C | 41.6 | Very low | 43.6 | Very low | 25 Ų | 25 | 70.8 Ų | 70.8 | 17% | 0.169 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.7 | -60.2 | 174.7 | -73 | 0 | 0 | 0 | 0 | 111.4 | V2388 F2390 I2393 N2394 L2474 E2475 A2480 Q2481 F2482 K2524 S2570 T2573 | V2388-C2478 HydrophobicContact CG1-CB 4.26Å; V2388-C2478 WeakPolarHBondContact CG1-SG 3.49Å; F2390-C2478 HydrophobicContact CE2-CB 4.27Å; F2390-C2478 WeakPolarHBondContact CE2-O 3.47Å; I2393-C2478 HydrophobicContact CG2-CB 4.36Å; I2393-C2478 WeakPolarHBondContact CG2-SG 3.13Å; N2394-C2478 PolarHBondContact OD1-SG 3.09Å; L2474-C2478 VanDerWaalsContact O-CB 3.28Å; L2474-C2478 WeakPolarHBondContact O-CB 3.33Å; L2474-C2478 PolarHBondContact O-N 2.96Å; L2474-C2478 PolarHBondContact O-SG 2.99Å; L2474-C2478 VanDerWaalsContact O-SG 3.38Å; E2475-C2478 VanDerWaalsContact O-CB 3.31Å; E2475-C2478 WeakPolarHBondContact O-CB 3.45Å; E2475-C2478 PolarHBondContact O-N 3.03Å; E2475-C2478 VanDerWaalsContact O-N 3.11Å; C2478-A2480 VanDerWaalsContact C-N 3.34Å; C2478-A2480 PolarHBondContact O-N 3.02Å; C2478-Q2481 CarbonylContact O-C 3.51Å; C2478-Q2481 WeakPolarHBondContact O-CA 3.46Å; C2478-Q2481 PolarHBondContact O-N 3.05Å; C2478-F2482 VanDerWaalsContact O-CB 3.28Å; C2478-F2482 WeakPolarHBondContact O-CB 3.4Å; C2478-F2482 PolarHBondContact O-N 3.15Å; C2478-K2524 PolarHBondContact O-NZ 3.32Å; C2478-S2570 WeakPolarHBondContact CA-OG 3.06Å; C2478-T2573 VanDerWaalsContact SG-CG2 3.58Å; C2478-T2573 PolarHBondContact SG-OG1 2.98Å |
| 2479 | Y | 42.4 | Very low | 43 | Very low | 133.8 Ų | 133.8 | 68.7 Ų | 68.7 | 53% | 0.525 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -54.1 | -41 | 177.5 | -89.1 | -68 | 0 | 0 | 0 | 113.9 | F1680 E2475 K2476 V2477 Q2481 F2482 N2483 S2570 D2571 E2762 E2763 | F1680-Y2479 WeakPolarHBondContact CE1-OH 3.43Å; E2475-Y2479 HydrophobicContact CB-CD2 4.25Å; E2475-Y2479 HydrophobicContact CB-CE2 4.19Å; E2475-Y2479 HydrophobicContact CG-CD2 3.79Å; E2475-Y2479 HydrophobicContact CG-CE2 3.88Å; E2475-Y2479 WeakPolarHBondContact O-CB 3.24Å; E2475-Y2479 VanDerWaalsContact O-CD2 3.24Å; E2475-Y2479 WeakPolarHBondContact O-CD2 3.4Å; E2475-Y2479 PolarHBondContact O-N 3.15Å; K2476-Y2479 CarbonylContact O-C 3.58Å; V2477-Y2479 PolarHBondContact O-N 3.08Å; Y2479-Q2481 PolarHBondContact O-N 3.18Å; Y2479-F2482 WeakPolarHBondContact O-CA 3.29Å; Y2479-F2482 VanDerWaalsContact O-CB 3.22Å; Y2479-F2482 WeakPolarHBondContact O-CB 3.08Å; Y2479-F2482 PolarHBondContact O-N 3.38Å; Y2479-F2482 VanDerWaalsContact O-N 3.11Å; Y2479-N2483 WeakPolarHBondContact O-CB 3.19Å; Y2479-N2483 VanDerWaalsContact O-CG 3.31Å; Y2479-N2483 PolarHBondContact O-N 3.32Å; Y2479-N2483 PolarHBondContact O-OD1 3.12Å; Y2479-S2570 PolarHBondContact N-OG 3.08Å; Y2479-S2570 VanDerWaalsContact N-OG 3.13Å; Y2479-D2571 WeakPolarHBondContact CD2-OD1 3.1Å; Y2479-D2571 PolarHBondContact N-OD1 3.48Å; Y2479-E2762 HydrophobicContact CE1-CG 4.13Å; Y2479-E2762 HydrophobicContact CE2-CG 4.18Å; Y2479-E2763 WeakPolarHBondContact CD1-O 3.32Å |
| 2480 | A | 40.8 | Very low | 42.5 | Very low | 43.8 Ų | 43.8 | 64.9 Ų | 64.9 | 36% | 0.362 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.1 | -28.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F2432 I2435 K2476 V2477 C2478 F2482 K2484 I2485 L2488 | F2432-A2480 HydrophobicContact CE1-CB 4Å; F2432-A2480 HydrophobicContact CZ-CB 3.78Å; I2435-A2480 HydrophobicContact CD1-CB 4.21Å; K2476-A2480 WeakPolarHBondContact O-CA 3.36Å; K2476-A2480 VanDerWaalsContact O-CB 3.29Å; K2476-A2480 WeakPolarHBondContact O-CB 3.23Å; K2476-A2480 PolarHBondContact O-N 3.24Å; K2476-A2480 VanDerWaalsContact O-N 3.09Å; V2477-A2480 VanDerWaalsContact O-CB 3.31Å; V2477-A2480 WeakPolarHBondContact O-CB 3.41Å; V2477-A2480 PolarHBondContact O-N 3.39Å; V2477-A2480 VanDerWaalsContact O-N 3.1Å; C2478-A2480 VanDerWaalsContact C-N 3.34Å; C2478-A2480 PolarHBondContact O-N 3.02Å; A2480-F2482 PolarHBondContact O-N 3.37Å; A2480-K2484 VanDerWaalsContact O-CB 3.29Å; A2480-K2484 WeakPolarHBondContact O-CB 3.23Å; A2480-K2484 PolarHBondContact O-N 3.31Å; A2480-I2485 HydrophobicContact CB-CD1 4.49Å; A2480-I2485 HydrophobicContact CB-CG1 3.57Å; A2480-L2488 HydrophobicContact CB-CD1 3.66Å |
| 2481 | Q | 40 | Very low | 42.2 | Very low | 42.8 Ų | 42.8 | 66.3 Ų | 66.3 | 20% | 0.2 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -78.9 | -22.7 | 168.1 | -95 | -134.5 | -7.8 | 0 | 0 | 111.7 | L2389 F2390 T2391 H2392 I2393 F2432 V2477 C2478 Y2479 N2483 K2484 I2485 I2569 S2570 | L2389-Q2481 HydrophobicContact CD2-CG 4.34Å; F2390-Q2481 HydrophobicContact CD2-CB 4.13Å; F2390-Q2481 HydrophobicContact CE2-CB 4.47Å; T2391-Q2481 PolarHBondContact OG1-NE2 3.38Å; T2391-Q2481 PolarHBondContact OG1-OE1 3.49Å; H2392-Q2481 PolarHBondContact CD2-OE1 3.18Å; H2392-Q2481 VanDerWaalsContact NE2-CG 3.35Å; H2392-Q2481 WeakPolarHBondContact NE2-CG 3.46Å; H2392-Q2481 PolarHBondContact NE2-NE2 2.73Å; H2392-Q2481 PolarHBondContact NE2-OE1 2.84Å; H2392-Q2481 VanDerWaalsContact NE2-OE1 3.11Å; I2393-Q2481 HydrophobicContact CD1-CG 4.34Å; F2432-Q2481 HydrophobicContact CE2-CG 4.24Å; F2432-Q2481 HydrophobicContact CZ-CG 4.06Å; V2477-Q2481 HydrophobicContact CG1-CG 4.34Å; V2477-Q2481 WeakPolarHBondContact O-CB 3.2Å; V2477-Q2481 WeakPolarHBondContact O-CG 3.24Å; V2477-Q2481 PolarHBondContact O-N 3.28Å; V2477-Q2481 PolarHBondContact O-OE1 3.28Å; C2478-Q2481 CarbonylContact O-C 3.51Å; C2478-Q2481 WeakPolarHBondContact O-CA 3.46Å; C2478-Q2481 PolarHBondContact O-N 3.05Å; Y2479-Q2481 PolarHBondContact O-N 3.18Å; Q2481-N2483 VanDerWaalsContact C-N 3.28Å; Q2481-N2483 WeakPolarHBondContact CB-OD1 3.4Å; Q2481-N2483 PolarHBondContact O-N 2.81Å; Q2481-K2484 HydrophobicContact CB-CD 4.41Å; Q2481-K2484 CarbonylContact O-C 3.5Å; Q2481-K2484 WeakPolarHBondContact O-CA 3.39Å; Q2481-K2484 WeakPolarHBondContact O-CB 3.39Å; Q2481-K2484 PolarHBondContact O-N 2.98Å; Q2481-K2484 VanDerWaalsContact O-N 3.13Å; Q2481-I2485 HydrophobicContact CB-CD1 3.97Å; Q2481-I2485 HydrophobicContact CG-CD1 3.98Å; Q2481-I2485 HydrophobicContact CG-CG1 4.48Å; Q2481-I2485 VanDerWaalsContact O-CB 3.24Å; Q2481-I2485 WeakPolarHBondContact O-CB 3.06Å; Q2481-I2485 VanDerWaalsContact O-CG1 3.25Å; Q2481-I2485 WeakPolarHBondContact O-CG1 3.38Å; Q2481-I2485 PolarHBondContact O-N 2.97Å; Q2481-I2569 HydrophobicContact CG-CD1 4.2Å; Q2481-I2569 HydrophobicContact CG-CG1 4.19Å; Q2481-I2569 HydrophobicContact CG-CG2 4.38Å; Q2481-I2569 WeakPolarHBondContact O-CG2 3.34Å; Q2481-S2570 VanDerWaalsContact O-CB 3.27Å; Q2481-S2570 WeakPolarHBondContact O-CB 3.44Å; Q2481-S2570 PolarHBondContact O-N 3.18Å; Q2481-S2570 PolarHBondContact O-OG 2.82Å |
| 2482 | F | 37 | Very low | 41.6 | Very low | 88.6 Ų | 88.6 | 67 Ų | 67 | 39% | 0.389 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.2 | -52.3 | 178.3 | -161.8 | -98 | 0 | 0 | 0 | 110.9 | F2390 C2478 Y2479 A2480 K2484 I2485 E2486 Y2522 I2567 N2568 I2569 S2570 D2571 | F2390-F2482 HydrophobicContact CE2-CB 4.15Å; F2390-F2482 HydrophobicContact CZ-CB 4.3Å; F2390-F2482 HydrophobicContact CZ-CD2 4.1Å; C2478-F2482 VanDerWaalsContact O-CB 3.28Å; C2478-F2482 WeakPolarHBondContact O-CB 3.4Å; C2478-F2482 PolarHBondContact O-N 3.15Å; Y2479-F2482 WeakPolarHBondContact O-CA 3.29Å; Y2479-F2482 VanDerWaalsContact O-CB 3.22Å; Y2479-F2482 WeakPolarHBondContact O-CB 3.08Å; Y2479-F2482 PolarHBondContact O-N 3.38Å; Y2479-F2482 VanDerWaalsContact O-N 3.11Å; A2480-F2482 PolarHBondContact O-N 3.37Å; F2482-K2484 VanDerWaalsContact C-N 3.27Å; F2482-K2484 PolarHBondContact O-N 3.27Å; F2482-I2485 HydrophobicContact CD1-CD1 3.88Å; F2482-I2485 HydrophobicContact CD2-CD1 4.29Å; F2482-I2485 HydrophobicContact CE1-CD1 3.59Å; F2482-I2485 HydrophobicContact CZ-CD1 4.04Å; F2482-I2485 CarbonylContact O-C 3.42Å; F2482-I2485 WeakPolarHBondContact O-CB 3.39Å; F2482-I2485 PolarHBondContact O-N 3.24Å; F2482-I2485 VanDerWaalsContact O-N 3.08Å; F2482-E2486 VanDerWaalsContact O-CB 3.28Å; F2482-E2486 WeakPolarHBondContact O-CB 3.36Å; F2482-E2486 PolarHBondContact O-N 3.01Å; F2482-Y2522 AromaticContact CE2-CE1 3.85Å; F2482-Y2522 HydrophobicContact CE2-CE1 3.85Å; F2482-Y2522 AromaticContact CE2-CZ 3.97Å; F2482-Y2522 HydrophobicContact CZ-CE1 4.25Å; F2482-Y2522 WeakPolarHBondContact CZ-OH 3.3Å; F2482-I2567 HydrophobicContact CE2-CG2 3.82Å; F2482-I2567 HydrophobicContact CZ-CG2 4.44Å; F2482-N2568 VanDerWaalsContact CA-O 3.3Å; F2482-N2568 WeakPolarHBondContact CA-O 3.24Å; F2482-N2568 WeakPolarHBondContact CD2-O 3.22Å; F2482-I2569 HydrophobicContact CE1-CD1 4.29Å; F2482-S2570 PolarHBondContact N-OG 2.83Å; F2482-D2571 HydrophobicContact CB-CB 4.06Å; F2482-D2571 HydrophobicContact CD1-CB 3.85Å; F2482-D2571 HydrophobicContact CD2-CB 4.02Å; F2482-D2571 HydrophobicContact CE1-CB 4.3Å; F2482-D2571 HydrophobicContact CE2-CB 4.45Å; F2482-D2571 HydrophobicContact CG-CB 3.72Å |
| 2483 | N | 40 | Very low | 40.9 | Very low | 68 Ų | 68 | 66.3 Ų | 66.3 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.5 | -14.9 | 179.3 | -54.7 | 14.8 | 0 | 0 | 0 | 113.8 | D1679 Y2479 Q2481 I2485 N2487 W2764 | D1679-N2483 VanDerWaalsContact CB-ND2 3.34Å; D1679-N2483 WeakPolarHBondContact CB-ND2 3.46Å; D1679-N2483 VanDerWaalsContact OD1-CB 3.31Å; D1679-N2483 WeakPolarHBondContact OD1-CB 3.38Å; D1679-N2483 PolarHBondContact OD1-ND2 3.08Å; D1679-N2483 PolarHBondContact OD2-ND2 3Å; Y2479-N2483 WeakPolarHBondContact O-CB 3.19Å; Y2479-N2483 VanDerWaalsContact O-CG 3.31Å; Y2479-N2483 PolarHBondContact O-N 3.32Å; Y2479-N2483 PolarHBondContact O-OD1 3.12Å; Q2481-N2483 VanDerWaalsContact C-N 3.28Å; Q2481-N2483 WeakPolarHBondContact CB-OD1 3.4Å; Q2481-N2483 PolarHBondContact O-N 2.81Å; N2483-I2485 VanDerWaalsContact C-N 3.26Å; N2483-I2485 HydrophobicContact CB-CG2 4.47Å; N2483-I2485 WeakPolarHBondContact O-CG2 3.34Å; N2483-N2487 WeakPolarHBondContact O-CB 3.38Å; N2483-N2487 PolarHBondContact O-N 3.11Å; N2483-N2487 PolarHBondContact O-ND2 3.04Å; N2483-W2764 HydrophobicContact CB-CB 4.09Å; N2483-W2764 VanDerWaalsContact ND2-CD1 3.3Å |
| 2484 | K | 41.8 | Very low | 40.3 | Very low | 106 Ų | 106 | 71.3 Ų | 71.3 | 46% | 0.461 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -83.1 | -30.4 | 173 | -136.9 | 170.2 | -176.8 | 168.3 | 0 | 112.3 | D2431 A2480 Q2481 F2482 N2487 L2488 | D2431-K2484 IonicContact OD2-NZ 3.09Å; D2431-K2484 PolarHBondContact OD2-NZ 3.35Å; A2480-K2484 VanDerWaalsContact O-CB 3.29Å; A2480-K2484 WeakPolarHBondContact O-CB 3.23Å; A2480-K2484 PolarHBondContact O-N 3.31Å; Q2481-K2484 HydrophobicContact CB-CD 4.41Å; Q2481-K2484 CarbonylContact O-C 3.5Å; Q2481-K2484 WeakPolarHBondContact O-CA 3.39Å; Q2481-K2484 WeakPolarHBondContact O-CB 3.39Å; Q2481-K2484 PolarHBondContact O-N 2.98Å; Q2481-K2484 VanDerWaalsContact O-N 3.13Å; F2482-K2484 VanDerWaalsContact C-N 3.27Å; F2482-K2484 PolarHBondContact O-N 3.27Å; K2484-N2487 PolarHBondContact O-N 2.71Å; K2484-L2488 HydrophobicContact CB-CD1 4.35Å; K2484-L2488 HydrophobicContact CG-CD1 4.32Å; K2484-L2488 VanDerWaalsContact O-CB 3.27Å; K2484-L2488 WeakPolarHBondContact O-CB 3.29Å; K2484-L2488 WeakPolarHBondContact O-CD1 3.34Å; K2484-L2488 VanDerWaalsContact O-CG 3.26Å; K2484-L2488 WeakPolarHBondContact O-CG 3.36Å; K2484-L2488 PolarHBondContact O-N 3.31Å |
| 2485 | I | 38.9 | Very low | 39.7 | Very low | 29.2 Ų | 29.2 | 72.4 Ų | 72.4 | 15% | 0.15 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -54.1 | -59 | 170.7 | -82 | 168.5 | 0 | 0 | 0 | 112 | F2383 Q2386 F2390 V2477 A2480 Q2481 F2482 N2483 N2487 L2488 I2489 N2565 I2566 N2568 | F2383-I2485 HydrophobicContact CE2-CG2 4.16Å; F2383-I2485 HydrophobicContact CZ-CG2 4.15Å; Q2386-I2485 HydrophobicContact CB-CD1 4.49Å; Q2386-I2485 HydrophobicContact CB-CG1 4.49Å; F2390-I2485 HydrophobicContact CB-CD1 4.3Å; F2390-I2485 HydrophobicContact CG-CD1 4.35Å; V2477-I2485 HydrophobicContact CG1-CG2 4.15Å; A2480-I2485 HydrophobicContact CB-CD1 4.49Å; A2480-I2485 HydrophobicContact CB-CG1 3.57Å; Q2481-I2485 HydrophobicContact CB-CD1 3.97Å; Q2481-I2485 HydrophobicContact CG-CD1 3.98Å; Q2481-I2485 HydrophobicContact CG-CG1 4.48Å; Q2481-I2485 VanDerWaalsContact O-CB 3.24Å; Q2481-I2485 WeakPolarHBondContact O-CB 3.06Å; Q2481-I2485 VanDerWaalsContact O-CG1 3.25Å; Q2481-I2485 WeakPolarHBondContact O-CG1 3.38Å; Q2481-I2485 PolarHBondContact O-N 2.97Å; F2482-I2485 HydrophobicContact CD1-CD1 3.88Å; F2482-I2485 HydrophobicContact CD2-CD1 4.29Å; F2482-I2485 HydrophobicContact CE1-CD1 3.59Å; F2482-I2485 HydrophobicContact CZ-CD1 4.04Å; F2482-I2485 CarbonylContact O-C 3.42Å; F2482-I2485 WeakPolarHBondContact O-CB 3.39Å; F2482-I2485 PolarHBondContact O-N 3.24Å; F2482-I2485 VanDerWaalsContact O-N 3.08Å; N2483-I2485 VanDerWaalsContact C-N 3.26Å; N2483-I2485 HydrophobicContact CB-CG2 4.47Å; N2483-I2485 WeakPolarHBondContact O-CG2 3.34Å; I2485-N2487 WeakPolarHBondContact CG2-OD1 3.3Å; I2485-N2487 PolarHBondContact O-N 3.3Å; I2485-L2488 CarbonylContact O-C 3.36Å; I2485-L2488 WeakPolarHBondContact O-CB 2.89Å; I2485-L2488 PolarHBondContact O-N 3.14Å; I2485-I2489 HydrophobicContact CG2-CD1 3.7Å; I2485-I2489 HydrophobicContact CG2-CG1 4.32Å; I2485-I2489 WeakPolarHBondContact O-CA 3.21Å; I2485-I2489 WeakPolarHBondContact O-CB 3.39Å; I2485-I2489 VanDerWaalsContact O-CG1 3.23Å; I2485-I2489 WeakPolarHBondContact O-CG1 3.28Å; I2485-I2489 PolarHBondContact O-N 3.07Å; I2485-N2565 CarbonylContact C-O 3.08Å; I2485-I2566 WeakPolarHBondContact CG1-O 3.49Å; I2485-N2568 HydrophobicContact CB-CB 4.4Å; I2485-N2568 VanDerWaalsContact N-CB 3.27Å; I2485-N2568 PolarHBondContact N-ND2 2.69Å; I2485-N2568 PolarHBondContact O-ND2 3.18Å |
| 2486 | E | 35.6 | Very low | 39 | Very low | 89.8 Ų | 89.8 | 71.9 Ų | 71.9 | 42% | 0.42 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.9 | -34.8 | 179.2 | 171.7 | -171.5 | -155 | 0 | 0 | 112.1 | F2482 L2488 I2489 S2490 N2565 I2566 | F2482-E2486 VanDerWaalsContact O-CB 3.28Å; F2482-E2486 WeakPolarHBondContact O-CB 3.36Å; F2482-E2486 PolarHBondContact O-N 3.01Å; E2486-L2488 PolarHBondContact O-N 3.04Å; E2486-I2489 HydrophobicContact CB-CB 4.49Å; E2486-I2489 PolarHBondContact O-N 3.1Å; E2486-S2490 WeakPolarHBondContact O-CA 3.08Å; E2486-S2490 VanDerWaalsContact O-CB 3.22Å; E2486-S2490 WeakPolarHBondContact O-CB 3.33Å; E2486-S2490 PolarHBondContact O-N 3Å; E2486-S2490 VanDerWaalsContact O-N 3.07Å; E2486-S2490 PolarHBondContact O-OG 2.79Å; E2486-N2565 VanDerWaalsContact CA-O 3.23Å; E2486-N2565 WeakPolarHBondContact CA-O 3.05Å; E2486-N2565 PolarHBondContact N-O 3.48Å; E2486-N2565 VanDerWaalsContact N-O 3.13Å; E2486-I2566 HydrophobicContact CB-CB 4.45Å; E2486-I2566 HydrophobicContact CB-CG1 4.28Å; E2486-I2566 HydrophobicContact CB-CG2 4.46Å |
| 2487 | N | 42 | Very low | 38.2 | Very low | 70 Ų | 70 | 69.9 Ų | 69.9 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -72.3 | -43 | 176.5 | -74 | -52.6 | 0 | 0 | 0 | 111.3 | N2483 K2484 I2485 I2489 S2490 D2491 L2767 | N2483-N2487 WeakPolarHBondContact O-CB 3.38Å; N2483-N2487 PolarHBondContact O-N 3.11Å; N2483-N2487 PolarHBondContact O-ND2 3.04Å; K2484-N2487 PolarHBondContact O-N 2.71Å; I2485-N2487 WeakPolarHBondContact CG2-OD1 3.3Å; I2485-N2487 PolarHBondContact O-N 3.3Å; N2487-I2489 VanDerWaalsContact C-N 3.34Å; N2487-I2489 CarbonylContact O-C 3.52Å; N2487-I2489 PolarHBondContact O-N 3.08Å; N2487-S2490 PolarHBondContact O-N 3.35Å; N2487-D2491 VanDerWaalsContact O-CB 3.27Å; N2487-D2491 WeakPolarHBondContact O-CB 3.37Å; N2487-D2491 VanDerWaalsContact O-CG 3.3Å; N2487-D2491 PolarHBondContact O-N 3.08Å; N2487-L2767 HydrophobicContact CB-CB 4.09Å; N2487-L2767 HydrophobicContact CB-CG 4.11Å; N2487-L2767 WeakPolarHBondContact ND2-CB 3.23Å; N2487-L2767 VanDerWaalsContact ND2-CD1 3.3Å; N2487-L2767 WeakPolarHBondContact ND2-CD1 3.25Å; N2487-L2767 WeakPolarHBondContact ND2-CG 3.29Å |
| 2488 | L | 39 | Very low | 37.6 | Very low | 55.4 Ų | 55.4 | 73.2 Ų | 73.2 | 29% | 0.29 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.8 | -37.7 | 172.8 | -84.6 | 163.6 | 0 | 0 | 0 | 112.1 | F2379 F2383 K2476 V2477 A2480 K2484 I2485 E2486 D2491 H2492 N2565 | F2379-L2488 HydrophobicContact CD1-CD2 4.09Å; F2379-L2488 HydrophobicContact CE1-CD2 3.37Å; F2379-L2488 VanDerWaalsContact CE1-CD2 3.48Å; F2379-L2488 HydrophobicContact CZ-CD2 3.86Å; F2383-L2488 HydrophobicContact CD2-CD1 4.25Å; F2383-L2488 HydrophobicContact CE2-CB 4.21Å; F2383-L2488 HydrophobicContact CE2-CD1 4.46Å; K2476-L2488 HydrophobicContact CB-CD1 4.43Å; K2476-L2488 HydrophobicContact CB-CD2 4.34Å; K2476-L2488 HydrophobicContact CD-CD2 4.25Å; V2477-L2488 HydrophobicContact CG2-CB 4.47Å; A2480-L2488 HydrophobicContact CB-CD1 3.66Å; K2484-L2488 HydrophobicContact CB-CD1 4.35Å; K2484-L2488 HydrophobicContact CG-CD1 4.32Å; K2484-L2488 VanDerWaalsContact O-CB 3.27Å; K2484-L2488 WeakPolarHBondContact O-CB 3.29Å; K2484-L2488 WeakPolarHBondContact O-CD1 3.34Å; K2484-L2488 VanDerWaalsContact O-CG 3.26Å; K2484-L2488 WeakPolarHBondContact O-CG 3.36Å; K2484-L2488 PolarHBondContact O-N 3.31Å; I2485-L2488 CarbonylContact O-C 3.36Å; I2485-L2488 WeakPolarHBondContact O-CB 2.89Å; I2485-L2488 PolarHBondContact O-N 3.14Å; E2486-L2488 PolarHBondContact O-N 3.04Å; L2488-D2491 PolarHBondContact O-N 2.8Å; L2488-H2492 VanDerWaalsContact O-CB 3.25Å; L2488-H2492 WeakPolarHBondContact O-CB 3.27Å; L2488-H2492 PolarHBondContact O-N 3.17Å; L2488-H2492 VanDerWaalsContact O-N 3.12Å; L2488-H2492 PolarHBondContact O-ND1 2.81Å; L2488-N2565 WeakPolarHBondContact CB-OD1 3.01Å; L2488-N2565 PolarHBondContact O-ND2 3.04Å |
| 2489 | I | 36.1 | Very low | 37.1 | Very low | 49.2 Ų | 49.2 | 76.1 Ų | 76.1 | 25% | 0.252 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.5 | -48.7 | 173.5 | -70.7 | -176.2 | 0 | 0 | 0 | 110.4 | F2383 V2477 I2485 E2486 N2487 D2491 H2492 L2493 V2517 N2561 N2565 I2566 | F2383-I2489 HydrophobicContact CE2-CG1 4.44Å; F2383-I2489 HydrophobicContact CZ-CD1 4.38Å; F2383-I2489 HydrophobicContact CZ-CG1 4.12Å; V2477-I2489 HydrophobicContact CG2-CG1 4.23Å; I2485-I2489 HydrophobicContact CG2-CD1 3.7Å; I2485-I2489 HydrophobicContact CG2-CG1 4.32Å; I2485-I2489 WeakPolarHBondContact O-CA 3.21Å; I2485-I2489 WeakPolarHBondContact O-CB 3.39Å; I2485-I2489 VanDerWaalsContact O-CG1 3.23Å; I2485-I2489 WeakPolarHBondContact O-CG1 3.28Å; I2485-I2489 PolarHBondContact O-N 3.07Å; E2486-I2489 HydrophobicContact CB-CB 4.49Å; E2486-I2489 PolarHBondContact O-N 3.1Å; N2487-I2489 VanDerWaalsContact C-N 3.34Å; N2487-I2489 CarbonylContact O-C 3.52Å; N2487-I2489 PolarHBondContact O-N 3.08Å; I2489-D2491 VanDerWaalsContact C-N 3.34Å; I2489-D2491 PolarHBondContact O-N 3.11Å; I2489-H2492 WeakPolarHBondContact O-CB 3.24Å; I2489-H2492 PolarHBondContact O-N 3.17Å; I2489-H2492 VanDerWaalsContact O-N 3.12Å; I2489-L2493 HydrophobicContact CG2-CD1 3.7Å; I2489-L2493 HydrophobicContact CG2-CG 4.26Å; I2489-L2493 VanDerWaalsContact O-CB 3.24Å; I2489-L2493 WeakPolarHBondContact O-CB 3.33Å; I2489-L2493 VanDerWaalsContact O-CG 3.26Å; I2489-L2493 WeakPolarHBondContact O-CG 3.36Å; I2489-L2493 PolarHBondContact O-N 3.09Å; I2489-V2517 HydrophobicContact CD1-CG1 4.07Å; I2489-N2561 WeakPolarHBondContact CD1-O 3.34Å; I2489-N2565 HydrophobicContact CD1-CB 3.6Å; I2489-N2565 HydrophobicContact CG1-CB 3.57Å; I2489-N2565 WeakPolarHBondContact CG1-O 3.27Å; I2489-N2565 PolarHBondContact N-ND2 3.47Å; I2489-I2566 HydrophobicContact CB-CG1 4.32Å; I2489-I2566 HydrophobicContact CD1-CG1 3.7Å; I2489-I2566 HydrophobicContact CG1-CB 4.35Å; I2489-I2566 HydrophobicContact CG1-CG1 3.58Å; I2489-I2566 VanDerWaalsContact CG1-N 3.26Å; I2489-I2566 HydrophobicContact CG2-CG1 4.09Å |
| 2490 | S | 39.1 | Very low | 36.5 | Very low | 34 Ų | 34 | 77.5 Ų | 77.5 | 24% | 0.238 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.4 | -39 | -179.3 | -153.4 | 0 | 0 | 0 | 0 | 112.2 | E2486 N2487 H2492 L2493 R2494 L2509 | E2486-S2490 WeakPolarHBondContact O-CA 3.08Å; E2486-S2490 VanDerWaalsContact O-CB 3.22Å; E2486-S2490 WeakPolarHBondContact O-CB 3.33Å; E2486-S2490 PolarHBondContact O-N 3Å; E2486-S2490 VanDerWaalsContact O-N 3.07Å; E2486-S2490 PolarHBondContact O-OG 2.79Å; N2487-S2490 PolarHBondContact O-N 3.35Å; S2490-H2492 PolarHBondContact O-N 3.24Å; S2490-L2493 PolarHBondContact O-N 3.33Å; S2490-R2494 WeakPolarHBondContact O-CB 3.38Å; S2490-R2494 WeakPolarHBondContact O-CD 3.45Å; S2490-R2494 VanDerWaalsContact O-CG 3.32Å; S2490-R2494 WeakPolarHBondContact O-CG 3.28Å; S2490-R2494 PolarHBondContact O-N 3.18Å; S2490-R2494 VanDerWaalsContact O-N 3.12Å; S2490-L2509 VanDerWaalsContact OG-CD2 3.27Å; S2490-L2509 WeakPolarHBondContact OG-CD2 3.46Å |
| 2491 | D | 40.5 | Very low | 35.9 | Very low | 78.8 Ų | 78.8 | 79.2 Ų | 79.2 | 42% | 0.421 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.9 | -41.9 | 174.9 | -74 | -20 | 0 | 0 | 0 | 111.8 | N2487 L2488 I2489 L2493 R2494 A2495 L2767 T2768 I2769 | N2487-D2491 VanDerWaalsContact O-CB 3.27Å; N2487-D2491 WeakPolarHBondContact O-CB 3.37Å; N2487-D2491 VanDerWaalsContact O-CG 3.3Å; N2487-D2491 PolarHBondContact O-N 3.08Å; L2488-D2491 PolarHBondContact O-N 2.8Å; I2489-D2491 VanDerWaalsContact C-N 3.34Å; I2489-D2491 PolarHBondContact O-N 3.11Å; D2491-L2493 PolarHBondContact O-N 2.87Å; D2491-R2494 CarbonylContact O-C 3.51Å; D2491-R2494 PolarHBondContact O-N 3.06Å; D2491-R2494 IonicContact OD1-NH1 3.79Å; D2491-A2495 VanDerWaalsContact O-CB 3.29Å; D2491-A2495 WeakPolarHBondContact O-CB 3.27Å; D2491-A2495 PolarHBondContact O-N 3.07Å; D2491-A2495 VanDerWaalsContact O-N 3.11Å; D2491-L2767 WeakPolarHBondContact OD1-CD2 3.35Å; D2491-T2768 WeakPolarHBondContact OD1-CA 3.15Å; D2491-T2768 PolarHBondContact OD1-N 3.28Å; D2491-T2768 VanDerWaalsContact OD1-N 3.13Å; D2491-T2768 PolarHBondContact OD2-N 3.25Å; D2491-I2769 VanDerWaalsContact CG-N 3.34Å; D2491-I2769 WeakPolarHBondContact OD1-CG1 3.38Å; D2491-I2769 PolarHBondContact OD1-N 2.77Å |
| 2492 | H | 36.9 | Very low | 35.4 | Very low | 84.2 Ų | 84.2 | 80.4 Ų | 80.4 | 39% | 0.39 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.7 | -37.8 | 177.2 | -103.3 | 75.6 | 0 | 0 | 0 | 112.3 | I2473 K2476 L2488 I2489 S2490 R2494 A2495 L2496 R2537 L2557 | I2473-H2492 HydrophobicContact CD1-CB 3.65Å; I2473-H2492 HydrophobicContact CG1-CB 3.64Å; I2473-H2492 VanDerWaalsContact CG1-CD2 3.46Å; I2473-H2492 WeakPolarHBondContact CG1-CD2 3.29Å; I2473-H2492 HydrophobicContact CG2-CB 4.3Å; K2476-H2492 PolarHBondContact NZ-NE2 3.36Å; L2488-H2492 VanDerWaalsContact O-CB 3.25Å; L2488-H2492 WeakPolarHBondContact O-CB 3.27Å; L2488-H2492 PolarHBondContact O-N 3.17Å; L2488-H2492 VanDerWaalsContact O-N 3.12Å; L2488-H2492 PolarHBondContact O-ND1 2.81Å; I2489-H2492 WeakPolarHBondContact O-CB 3.24Å; I2489-H2492 PolarHBondContact O-N 3.17Å; I2489-H2492 VanDerWaalsContact O-N 3.12Å; S2490-H2492 PolarHBondContact O-N 3.24Å; H2492-R2494 PolarHBondContact O-N 3.15Å; H2492-A2495 CarbonylContact O-C 3.51Å; H2492-A2495 PolarHBondContact O-N 3.02Å; H2492-L2496 HydrophobicContact CB-CD1 4.39Å; H2492-L2496 WeakPolarHBondContact CD2-CD1 3.48Å; H2492-L2496 WeakPolarHBondContact O-CB 3.39Å; H2492-L2496 WeakPolarHBondContact O-CD1 3.4Å; H2492-L2496 WeakPolarHBondContact O-CG 3.19Å; H2492-L2496 PolarHBondContact O-N 3.16Å; H2492-L2496 VanDerWaalsContact O-N 3.11Å; H2492-R2537 PolarHBondContact NE2-NH2 3.44Å; H2492-L2557 HydrophobicContact CB-CD2 3.96Å |
| 2493 | L | 34.7 | Very low | 35 | Very low | 68 Ų | 68 | 85.3 Ų | 85.3 | 36% | 0.356 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.4 | -33.5 | 174 | -72.8 | 173.7 | 0 | 0 | 0 | 112.1 | I2489 S2490 D2491 A2495 L2496 C2497 I2513 F2562 | I2489-L2493 HydrophobicContact CG2-CD1 3.7Å; I2489-L2493 HydrophobicContact CG2-CG 4.26Å; I2489-L2493 VanDerWaalsContact O-CB 3.24Å; I2489-L2493 WeakPolarHBondContact O-CB 3.33Å; I2489-L2493 VanDerWaalsContact O-CG 3.26Å; I2489-L2493 WeakPolarHBondContact O-CG 3.36Å; I2489-L2493 PolarHBondContact O-N 3.09Å; S2490-L2493 PolarHBondContact O-N 3.33Å; D2491-L2493 PolarHBondContact O-N 2.87Å; L2493-A2495 VanDerWaalsContact C-N 3.28Å; L2493-A2495 PolarHBondContact O-N 3.16Å; L2493-L2496 PolarHBondContact O-N 3.12Å; L2493-C2497 WeakPolarHBondContact O-CA 3.46Å; L2493-C2497 WeakPolarHBondContact O-CB 3.47Å; L2493-C2497 PolarHBondContact O-N 2.99Å; L2493-C2497 VanDerWaalsContact O-N 3.1Å; L2493-I2513 HydrophobicContact CD1-CD1 4.21Å; L2493-I2513 HydrophobicContact CD1-CG1 4.17Å; L2493-I2513 HydrophobicContact CD1-CG2 4.31Å; L2493-F2562 HydrophobicContact CD1-CD2 3.96Å; L2493-F2562 HydrophobicContact CD1-CE2 3.73Å |
| 2494 | R | 35.5 | Very low | 34.6 | Very low | 149.2 Ų | 149.2 | 86.6 Ų | 86.6 | 56% | 0.563 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -71.5 | -32.1 | 171.4 | -77.1 | 177.6 | 174.7 | 153.7 | -1.7 | 112.3 | S2490 D2491 H2492 L2496 L2498 D2506 L2509 I2769 | S2490-R2494 WeakPolarHBondContact O-CB 3.38Å; S2490-R2494 WeakPolarHBondContact O-CD 3.45Å; S2490-R2494 VanDerWaalsContact O-CG 3.32Å; S2490-R2494 WeakPolarHBondContact O-CG 3.28Å; S2490-R2494 PolarHBondContact O-N 3.18Å; S2490-R2494 VanDerWaalsContact O-N 3.12Å; D2491-R2494 CarbonylContact O-C 3.51Å; D2491-R2494 PolarHBondContact O-N 3.06Å; D2491-R2494 IonicContact OD1-NH1 3.79Å; H2492-R2494 PolarHBondContact O-N 3.15Å; R2494-L2496 PolarHBondContact O-N 3.24Å; R2494-L2498 HydrophobicContact CB-CD1 3.96Å; R2494-L2498 HydrophobicContact CG-CD1 3.98Å; R2494-L2498 VanDerWaalsContact O-CB 3.24Å; R2494-L2498 WeakPolarHBondContact O-CB 3.38Å; R2494-L2498 VanDerWaalsContact O-CG 3.28Å; R2494-L2498 WeakPolarHBondContact O-CG 3.08Å; R2494-D2506 IonicContact CZ-OD1 3.26Å; R2494-D2506 IonicContact NH2-OD1 2.61Å; R2494-D2506 PolarHBondContact NH2-OD1 3.04Å; R2494-L2509 HydrophobicContact CG-CD1 4.4Å; R2494-L2509 HydrophobicContact CG-CD2 3.79Å; R2494-L2509 VanDerWaalsContact NE-CD2 3.34Å; R2494-I2769 HydrophobicContact CB-CD1 4.35Å; R2494-I2769 HydrophobicContact CB-CG1 4.07Å; R2494-I2769 HydrophobicContact CB-CG2 3.8Å; R2494-I2769 VanDerWaalsContact CD-CD1 3.42Å |
| 2495 | A | 34.7 | Very low | 34.3 | Very low | 72 Ų | 72 | 85.1 Ų | 85.1 | 60% | 0.595 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -78.1 | -23.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D2491 H2492 L2493 C2497 | D2491-A2495 VanDerWaalsContact O-CB 3.29Å; D2491-A2495 WeakPolarHBondContact O-CB 3.27Å; D2491-A2495 PolarHBondContact O-N 3.07Å; D2491-A2495 VanDerWaalsContact O-N 3.11Å; H2492-A2495 CarbonylContact O-C 3.51Å; H2492-A2495 PolarHBondContact O-N 3.02Å; L2493-A2495 VanDerWaalsContact C-N 3.28Å; L2493-A2495 PolarHBondContact O-N 3.16Å; A2495-C2497 PolarHBondContact O-N 2.91Å |
| 2496 | L | 32.4 | Very low | 34.1 | Very low | 82.6 Ų | 82.6 | 88 Ų | 88 | 43% | 0.432 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -1.3 | -176.5 | -81.3 | 162.1 | 0 | 0 | 0 | 114 | T2466 M2470 H2492 L2493 R2494 L2498 L2541 Q2555 | T2466-L2496 HydrophobicContact CG2-CD2 4.1Å; M2470-L2496 HydrophobicContact CE-CD1 4.49Å; H2492-L2496 HydrophobicContact CB-CD1 4.39Å; H2492-L2496 WeakPolarHBondContact CD2-CD1 3.48Å; H2492-L2496 WeakPolarHBondContact O-CB 3.39Å; H2492-L2496 WeakPolarHBondContact O-CD1 3.4Å; H2492-L2496 WeakPolarHBondContact O-CG 3.19Å; H2492-L2496 PolarHBondContact O-N 3.16Å; H2492-L2496 VanDerWaalsContact O-N 3.11Å; L2493-L2496 PolarHBondContact O-N 3.12Å; R2494-L2496 PolarHBondContact O-N 3.24Å; L2496-L2498 PolarHBondContact O-N 3.23Å; L2496-L2541 HydrophobicContact CD1-CD2 4.2Å; L2496-Q2555 HydrophobicContact CD1-CB 3.97Å; L2496-Q2555 HydrophobicContact CD2-CB 4.21Å |
| 2497 | C | 29.8 | Very low | 34.1 | Very low | 85.6 Ų | 85.6 | 89.4 Ų | 89.4 | 58% | 0.578 | 49% | 0.49 | S | S | * | . | trans | -92.4 | 42.8 | 179.8 | -66.4 | 0 | 0 | 0 | 0 | 114 | L2493 A2495 L2512 | L2493-C2497 WeakPolarHBondContact O-CA 3.46Å; L2493-C2497 WeakPolarHBondContact O-CB 3.47Å; L2493-C2497 PolarHBondContact O-N 2.99Å; L2493-C2497 VanDerWaalsContact O-N 3.1Å; A2495-C2497 PolarHBondContact O-N 2.91Å; C2497-L2512 HydrophobicContact CB-CD2 4.42Å | ||
| 2498 | L | 30.7 | Very low | 33.8 | Very low | 82.2 Ų | 82.2 | 87.8 Ų | 87.8 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | trans | -73.3 | 125.4 | 174.7 | -69.1 | 166.7 | 0 | 0 | 0 | 112 | I2408 R2494 L2496 N2500 F2504 L2509 | I2408-L2498 HydrophobicContact CD1-CD2 3.94Å; R2494-L2498 HydrophobicContact CB-CD1 3.96Å; R2494-L2498 HydrophobicContact CG-CD1 3.98Å; R2494-L2498 VanDerWaalsContact O-CB 3.24Å; R2494-L2498 WeakPolarHBondContact O-CB 3.38Å; R2494-L2498 VanDerWaalsContact O-CG 3.28Å; R2494-L2498 WeakPolarHBondContact O-CG 3.08Å; L2496-L2498 PolarHBondContact O-N 3.23Å; L2498-N2500 PolarHBondContact O-N 2.98Å; L2498-N2500 VanDerWaalsContact O-N 3.08Å; L2498-F2504 HydrophobicContact CD1-CD2 4.36Å; L2498-F2504 HydrophobicContact CD1-CE2 4.48Å; L2498-F2504 HydrophobicContact CD2-CD2 3.88Å; L2498-F2504 VanDerWaalsContact CD2-CD2 3.47Å; L2498-F2504 HydrophobicContact CD2-CE2 3.63Å; L2498-F2504 HydrophobicContact CD2-CG 4.12Å; L2498-F2504 HydrophobicContact CD2-CZ 4.32Å; L2498-L2509 HydrophobicContact CD1-CD1 4.2Å; L2498-L2509 HydrophobicContact CD2-CD1 4.02Å | ||
| 2499 | P | 30.7 | Very low | 33.8 | Very low | 84.2 Ų | 84.2 | 86.7 Ų | 86.7 | 55% | 0.547 | 48% | 0.478 | S | S | . | . | trans | -75.6 | 132.8 | 156.4 | 11.9 | -8.4 | 0 | 0 | 0 | 110.7 | A2501 V2502 | P2499-A2501 PolarHBondContact O-N 3.19Å; P2499-V2502 HydrophobicContact CB-CG2 4.43Å; P2499-V2502 HydrophobicContact CG-CG2 4.45Å; P2499-V2502 PolarHBondContact O-N 3.14Å | ||
| 2500 | N | 29.4 | Very low | 33.8 | Very low | 163.4 Ų | 163.4 | 87.4 Ų | 87.4 | 87% | 0.874 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 15.3 | -179 | -63.4 | -26.3 | 0 | 0 | 0 | 115.5 | L2498 | L2498-N2500 PolarHBondContact O-N 2.98Å; L2498-N2500 VanDerWaalsContact O-N 3.08Å |
| 2501 | A | 28.2 | Very low | 33.7 | Very low | 79.8 Ų | 79.8 | 88.2 Ų | 88.2 | 66% | 0.66 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 3.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P2499 N2550 E2551 L2552 | P2499-A2501 PolarHBondContact O-N 3.19Å; A2501-N2550 VanDerWaalsContact CA-O 3.26Å; A2501-N2550 WeakPolarHBondContact CA-O 3.44Å; A2501-N2550 WeakPolarHBondContact CB-O 3.43Å; A2501-E2551 WeakPolarHBondContact CB-O 3.33Å; A2501-L2552 HydrophobicContact CB-CB 3.85Å; A2501-L2552 HydrophobicContact CB-CD1 4.34Å; A2501-L2552 HydrophobicContact CB-CG 4.46Å; A2501-L2552 PolarHBondContact O-N 3.42Å |
| 2502 | V | 31 | Very low | 33.7 | Very low | 67.8 Ų | 67.8 | 86.7 Ų | 86.7 | 41% | 0.411 | 48% | 0.476 | S | S | . | . | trans | -109.7 | 114 | -177.9 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | P2499 F2504 V2549 N2550 E2551 | P2499-V2502 HydrophobicContact CB-CG2 4.43Å; P2499-V2502 HydrophobicContact CG-CG2 4.45Å; P2499-V2502 PolarHBondContact O-N 3.14Å; V2502-F2504 HydrophobicContact CB-CD2 4.2Å; V2502-F2504 HydrophobicContact CB-CE2 3.86Å; V2502-F2504 HydrophobicContact CB-CZ 4.04Å; V2502-F2504 HydrophobicContact CG1-CD1 4.22Å; V2502-F2504 HydrophobicContact CG1-CD2 3.74Å; V2502-F2504 HydrophobicContact CG1-CE1 3.99Å; V2502-F2504 HydrophobicContact CG1-CE2 3.59Å; V2502-F2504 VanDerWaalsContact CG1-CE2 3.44Å; V2502-F2504 HydrophobicContact CG1-CG 4.24Å; V2502-F2504 HydrophobicContact CG1-CZ 3.79Å; V2502-F2504 WeakPolarHBondContact O-CD2 3.23Å; V2502-F2504 PolarHBondContact O-N 3.18Å; V2502-V2549 WeakPolarHBondContact CB-O 3.44Å; V2502-V2549 WeakPolarHBondContact CG2-O 3.38Å; V2502-V2549 PolarHBondContact N-O 2.76Å; V2502-N2550 PolarHBondContact N-O 3.25Å; V2502-N2550 CarbonylContact O-C 3.24Å; V2502-N2550 VanDerWaalsContact O-CA 3.23Å; V2502-N2550 WeakPolarHBondContact O-CA 3.21Å; V2502-E2551 PolarHBondContact O-N 3.46Å | ||
| 2503 | Q | 28.8 | Very low | 33.8 | Very low | 192.4 Ų | 192.4 | 84.5 Ų | 84.5 | 90% | 0.899 | 47% | 0.467 | S | S | * | . | trans | -85.9 | 99.6 | 160 | -77 | -172.9 | -16.1 | 0 | 0 | 109.3 | S2505 | Q2503-S2505 VanDerWaalsContact C-N 3.3Å; Q2503-S2505 PolarHBondContact O-N 3.29Å | ||
| 2504 | F | 30.8 | Very low | 34 | Very low | 93.8 Ų | 93.8 | 84.4 Ų | 84.4 | 41% | 0.411 | 47% | 0.467 | S | S | . | . | trans | -77.8 | 127.7 | 168.6 | -77.5 | -81.3 | 0 | 0 | 0 | 109.9 | L2498 V2502 S2508 L2509 Y2545 | L2498-F2504 HydrophobicContact CD1-CD2 4.36Å; L2498-F2504 HydrophobicContact CD1-CE2 4.48Å; L2498-F2504 HydrophobicContact CD2-CD2 3.88Å; L2498-F2504 VanDerWaalsContact CD2-CD2 3.47Å; L2498-F2504 HydrophobicContact CD2-CE2 3.63Å; L2498-F2504 HydrophobicContact CD2-CG 4.12Å; L2498-F2504 HydrophobicContact CD2-CZ 4.32Å; V2502-F2504 HydrophobicContact CB-CD2 4.2Å; V2502-F2504 HydrophobicContact CB-CE2 3.86Å; V2502-F2504 HydrophobicContact CB-CZ 4.04Å; V2502-F2504 HydrophobicContact CG1-CD1 4.22Å; V2502-F2504 HydrophobicContact CG1-CD2 3.74Å; V2502-F2504 HydrophobicContact CG1-CE1 3.99Å; V2502-F2504 HydrophobicContact CG1-CE2 3.59Å; V2502-F2504 VanDerWaalsContact CG1-CE2 3.44Å; V2502-F2504 HydrophobicContact CG1-CG 4.24Å; V2502-F2504 HydrophobicContact CG1-CZ 3.79Å; V2502-F2504 WeakPolarHBondContact O-CD2 3.23Å; V2502-F2504 PolarHBondContact O-N 3.18Å; F2504-S2508 WeakPolarHBondContact CB-OG 3.47Å; F2504-S2508 WeakPolarHBondContact CD1-OG 3.4Å; F2504-L2509 HydrophobicContact CB-CB 4.5Å; F2504-L2509 HydrophobicContact CE1-CD2 4.45Å; F2504-Y2545 AromaticContact CE1-CE1 3.62Å; F2504-Y2545 HydrophobicContact CE1-CE1 3.62Å; F2504-Y2545 AromaticContact CE1-CZ 3.68Å; F2504-Y2545 WeakPolarHBondContact CE1-OH 3.14Å; F2504-Y2545 AromaticContact CZ-CE1 3.79Å; F2504-Y2545 HydrophobicContact CZ-CE1 3.79Å; F2504-Y2545 AromaticContact CZ-CZ 3.77Å | ||
| 2505 | S | 34.7 | Very low | 34.1 | Very low | 75 Ų | 75 | 77.7 Ų | 77.7 | 52% | 0.524 | 44% | 0.444 | S | S | . | . | trans | -70.3 | 139.5 | 163.8 | 61 | 0 | 0 | 0 | 0 | 109.9 | Q2503 Q2507 S2508 L2509 | Q2503-S2505 VanDerWaalsContact C-N 3.3Å; Q2503-S2505 PolarHBondContact O-N 3.29Å; S2505-Q2507 PolarHBondContact O-N 3.07Å; S2505-Q2507 VanDerWaalsContact O-N 3.08Å; S2505-S2508 PolarHBondContact N-OG 3.21Å; S2505-S2508 WeakPolarHBondContact O-CA 3.47Å; S2505-S2508 WeakPolarHBondContact O-CB 3.47Å; S2505-S2508 PolarHBondContact O-N 3.02Å; S2505-S2508 PolarHBondContact O-OG 3.39Å; S2505-S2508 WeakPolarHBondContact OG-CB 3.19Å; S2505-S2508 PolarHBondContact OG-N 2.95Å; S2505-S2508 PolarHBondContact OG-OG 2.94Å; S2505-L2509 PolarHBondContact O-N 3.02Å | ||
| 2506 | D | 36.6 | Very low | 34.4 | Very low | 89.8 Ų | 89.8 | 76.6 Ų | 76.6 | 48% | 0.48 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.9 | -12.7 | 178.5 | -93.3 | -46.1 | 0 | 0 | 0 | 112 | R2494 S2508 L2509 N2510 R2598 | R2494-D2506 IonicContact CZ-OD1 3.26Å; R2494-D2506 IonicContact NH2-OD1 2.61Å; R2494-D2506 PolarHBondContact NH2-OD1 3.04Å; D2506-S2508 PolarHBondContact O-N 3.4Å; D2506-S2508 WeakPolarHBondContact OD1-CB 3.19Å; D2506-S2508 PolarHBondContact OD1-OG 3.26Å; D2506-L2509 HydrophobicContact CB-CB 4.41Å; D2506-L2509 WeakPolarHBondContact O-CB 3.26Å; D2506-L2509 PolarHBondContact O-N 3.3Å; D2506-L2509 VanDerWaalsContact O-N 3.13Å; D2506-N2510 VanDerWaalsContact O-CB 3.31Å; D2506-N2510 WeakPolarHBondContact O-CB 3.34Å; D2506-N2510 VanDerWaalsContact O-CG 3.27Å; D2506-N2510 PolarHBondContact O-N 3.05Å; D2506-N2510 PolarHBondContact O-ND2 3.37Å; D2506-N2510 VanDerWaalsContact O-ND2 3.16Å; D2506-N2510 PolarHBondContact O-OD1 3.42Å; D2506-N2510 PolarHBondContact OD1-ND2 3.38Å; D2506-R2598 IonicContact OD1-CZ 2.74Å; D2506-R2598 IonicContact OD1-NH1 2.82Å; D2506-R2598 PolarHBondContact OD1-NH1 3.33Å; D2506-R2598 IonicContact OD1-NH2 3.88Å; D2506-R2598 PolarHBondContact OD1-NH2 3.36Å; D2506-R2598 IonicContact OD2-CZ 3.85Å; D2506-R2598 IonicContact OD2-NH2 3.4Å; D2506-R2598 PolarHBondContact OD2-NH2 3.37Å |
| 2507 | Q | 35.5 | Very low | 34.7 | Very low | 120.2 Ų | 120.2 | 75.2 Ų | 75.2 | 56% | 0.562 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -66.7 | -36.7 | 173.5 | -164.2 | 164.8 | 5.8 | 0 | 0 | 113.1 | Y1780 S2505 L2509 N2510 N2511 | Y1780-Q2507 HydrophobicContact CD1-CB 3.68Å; Y1780-Q2507 HydrophobicContact CD1-CG 3.62Å; Y1780-Q2507 HydrophobicContact CD2-CG 3.69Å; Y1780-Q2507 HydrophobicContact CE1-CB 3.86Å; Y1780-Q2507 HydrophobicContact CE1-CG 3.76Å; Y1780-Q2507 HydrophobicContact CE2-CG 3.79Å; Y1780-Q2507 HydrophobicContact CG-CB 4.1Å; Y1780-Q2507 HydrophobicContact CG-CG 3.58Å; Y1780-Q2507 PolarHBondContact OH-O 2.72Å; S2505-Q2507 PolarHBondContact O-N 3.07Å; S2505-Q2507 VanDerWaalsContact O-N 3.08Å; Q2507-L2509 VanDerWaalsContact C-N 3.33Å; Q2507-L2509 PolarHBondContact O-N 3.37Å; Q2507-N2510 WeakPolarHBondContact O-CB 3.24Å; Q2507-N2510 PolarHBondContact O-N 2.99Å; Q2507-N2511 WeakPolarHBondContact O-CB 3.41Å; Q2507-N2511 PolarHBondContact O-N 3.13Å; Q2507-N2511 VanDerWaalsContact O-N 3.09Å; Q2507-N2511 PolarHBondContact O-ND2 3.38Å; Q2507-N2511 PolarHBondContact O-OD1 3.38Å |
| 2508 | S | 35.7 | Very low | 35 | Very low | 37 Ų | 37 | 71.6 Ų | 71.6 | 26% | 0.259 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.1 | -37.4 | 174.5 | 43.9 | 0 | 0 | 0 | 0 | 112.6 | F2504 S2505 D2506 N2510 N2511 L2512 | F2504-S2508 WeakPolarHBondContact CB-OG 3.47Å; F2504-S2508 WeakPolarHBondContact CD1-OG 3.4Å; S2505-S2508 PolarHBondContact N-OG 3.21Å; S2505-S2508 WeakPolarHBondContact O-CA 3.47Å; S2505-S2508 WeakPolarHBondContact O-CB 3.47Å; S2505-S2508 PolarHBondContact O-N 3.02Å; S2505-S2508 PolarHBondContact O-OG 3.39Å; S2505-S2508 WeakPolarHBondContact OG-CB 3.19Å; S2505-S2508 PolarHBondContact OG-N 2.95Å; S2505-S2508 PolarHBondContact OG-OG 2.94Å; D2506-S2508 PolarHBondContact O-N 3.4Å; D2506-S2508 WeakPolarHBondContact OD1-CB 3.19Å; D2506-S2508 PolarHBondContact OD1-OG 3.26Å; S2508-N2510 VanDerWaalsContact C-N 3.31Å; S2508-N2510 PolarHBondContact O-N 2.89Å; S2508-N2511 PolarHBondContact O-N 3.35Å; S2508-L2512 WeakPolarHBondContact O-CB 3.31Å; S2508-L2512 PolarHBondContact O-N 3.09Å; S2508-L2512 VanDerWaalsContact O-N 3.08Å |
| 2509 | L | 37.6 | Very low | 35.5 | Very low | 30.6 Ų | 30.6 | 69.5 Ų | 69.5 | 16% | 0.16 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 174.3 | -172.8 | 71.1 | 0 | 0 | 0 | 111.3 | C2454 S2490 R2494 L2498 F2504 S2505 D2506 Q2507 N2511 L2512 I2513 | C2454-L2509 HydrophobicContact CB-CD1 3.96Å; C2454-L2509 WeakPolarHBondContact SG-CD1 3.49Å; S2490-L2509 VanDerWaalsContact OG-CD2 3.27Å; S2490-L2509 WeakPolarHBondContact OG-CD2 3.46Å; R2494-L2509 HydrophobicContact CG-CD1 4.4Å; R2494-L2509 HydrophobicContact CG-CD2 3.79Å; R2494-L2509 VanDerWaalsContact NE-CD2 3.34Å; L2498-L2509 HydrophobicContact CD1-CD1 4.2Å; L2498-L2509 HydrophobicContact CD2-CD1 4.02Å; F2504-L2509 HydrophobicContact CB-CB 4.5Å; F2504-L2509 HydrophobicContact CE1-CD2 4.45Å; S2505-L2509 PolarHBondContact O-N 3.02Å; D2506-L2509 HydrophobicContact CB-CB 4.41Å; D2506-L2509 WeakPolarHBondContact O-CB 3.26Å; D2506-L2509 PolarHBondContact O-N 3.3Å; D2506-L2509 VanDerWaalsContact O-N 3.13Å; Q2507-L2509 VanDerWaalsContact C-N 3.33Å; Q2507-L2509 PolarHBondContact O-N 3.37Å; L2509-N2511 VanDerWaalsContact C-N 3.33Å; L2509-N2511 PolarHBondContact O-N 3.36Å; L2509-L2512 VanDerWaalsContact O-CB 3.29Å; L2509-L2512 WeakPolarHBondContact O-CB 3.41Å; L2509-L2512 PolarHBondContact O-N 2.9Å; L2509-L2512 VanDerWaalsContact O-N 3.11Å; L2509-I2513 HydrophobicContact CD1-CD1 3.76Å; L2509-I2513 HydrophobicContact CD1-CG1 4.15Å; L2509-I2513 HydrophobicContact CD2-CD1 4.43Å; L2509-I2513 HydrophobicContact CG-CD1 4.06Å; L2509-I2513 WeakPolarHBondContact O-CB 3.18Å; L2509-I2513 VanDerWaalsContact O-CG1 3.3Å; L2509-I2513 WeakPolarHBondContact O-CG1 3.32Å; L2509-I2513 PolarHBondContact O-N 3.16Å |
| 2510 | N | 37.2 | Very low | 35.9 | Very low | 64.8 Ų | 64.8 | 69.1 Ų | 69.1 | 35% | 0.347 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 175.5 | -82 | -22.7 | 0 | 0 | 0 | 111.9 | Y1780 D2506 Q2507 S2508 L2512 I2513 L2514 Y2594 R2598 K2912 | Y1780-N2510 HydrophobicContact CE1-CB 3.9Å; Y1780-N2510 WeakPolarHBondContact OH-CB 3.43Å; D2506-N2510 VanDerWaalsContact O-CB 3.31Å; D2506-N2510 WeakPolarHBondContact O-CB 3.34Å; D2506-N2510 VanDerWaalsContact O-CG 3.27Å; D2506-N2510 PolarHBondContact O-N 3.05Å; D2506-N2510 PolarHBondContact O-ND2 3.37Å; D2506-N2510 VanDerWaalsContact O-ND2 3.16Å; D2506-N2510 PolarHBondContact O-OD1 3.42Å; D2506-N2510 PolarHBondContact OD1-ND2 3.38Å; Q2507-N2510 WeakPolarHBondContact O-CB 3.24Å; Q2507-N2510 PolarHBondContact O-N 2.99Å; S2508-N2510 VanDerWaalsContact C-N 3.31Å; S2508-N2510 PolarHBondContact O-N 2.89Å; N2510-L2512 VanDerWaalsContact C-N 3.3Å; N2510-L2512 PolarHBondContact O-N 2.92Å; N2510-I2513 PolarHBondContact O-N 3.24Å; N2510-I2513 VanDerWaalsContact O-N 3.1Å; N2510-L2514 VanDerWaalsContact O-CB 3.24Å; N2510-L2514 WeakPolarHBondContact O-CB 3.36Å; N2510-L2514 WeakPolarHBondContact O-CD1 3.37Å; N2510-L2514 WeakPolarHBondContact O-CG 3.45Å; N2510-L2514 PolarHBondContact O-N 3.22Å; N2510-Y2594 WeakPolarHBondContact OD1-CE1 3.47Å; N2510-R2598 PolarHBondContact ND2-NH1 2.81Å; N2510-R2598 PolarHBondContact OD1-NH1 3.26Å; N2510-K2912 VanDerWaalsContact CG-NZ 3.32Å; N2510-K2912 PolarHBondContact OD1-NZ 3.16Å |
| 2511 | N | 37.1 | Very low | 36.2 | Very low | 50.2 Ų | 50.2 | 63.1 Ų | 63.1 | 27% | 0.268 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64 | -34.9 | 175.5 | -75.3 | -5.1 | 0 | 0 | 0 | 112.2 | Y1780 Q2507 S2508 L2509 L2514 G2515 N2561 S2564 | Y1780-N2511 PolarHBondContact OH-N 3.34Å; Y1780-N2511 PolarHBondContact OH-OD1 3.12Å; Q2507-N2511 WeakPolarHBondContact O-CB 3.41Å; Q2507-N2511 PolarHBondContact O-N 3.13Å; Q2507-N2511 VanDerWaalsContact O-N 3.09Å; Q2507-N2511 PolarHBondContact O-ND2 3.38Å; Q2507-N2511 PolarHBondContact O-OD1 3.38Å; S2508-N2511 PolarHBondContact O-N 3.35Å; L2509-N2511 VanDerWaalsContact C-N 3.33Å; L2509-N2511 PolarHBondContact O-N 3.36Å; N2511-L2514 PolarHBondContact O-N 3.07Å; N2511-G2515 PolarHBondContact O-N 3.04Å; N2511-N2561 PolarHBondContact ND2-OD1 2.95Å; N2511-S2564 PolarHBondContact OD1-OG 3.08Å |
| 2512 | L | 39.4 | Very low | 36.7 | Very low | 48.6 Ų | 48.6 | 62.5 Ų | 62.5 | 25% | 0.254 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.5 | -45.5 | 174.4 | -161.4 | 89.9 | 0 | 0 | 0 | 111.8 | C2497 S2508 L2509 N2510 L2514 G2515 Q2516 Y2539 L2541 F2543 Q2544 Y2545 | C2497-L2512 HydrophobicContact CB-CD2 4.42Å; S2508-L2512 WeakPolarHBondContact O-CB 3.31Å; S2508-L2512 PolarHBondContact O-N 3.09Å; S2508-L2512 VanDerWaalsContact O-N 3.08Å; L2509-L2512 VanDerWaalsContact O-CB 3.29Å; L2509-L2512 WeakPolarHBondContact O-CB 3.41Å; L2509-L2512 PolarHBondContact O-N 2.9Å; L2509-L2512 VanDerWaalsContact O-N 3.11Å; N2510-L2512 VanDerWaalsContact C-N 3.3Å; N2510-L2512 PolarHBondContact O-N 2.92Å; L2512-L2514 VanDerWaalsContact C-N 3.34Å; L2512-L2514 PolarHBondContact O-N 2.75Å; L2512-G2515 PolarHBondContact O-N 3.1Å; L2512-G2515 VanDerWaalsContact O-N 3.1Å; L2512-Q2516 WeakPolarHBondContact O-CB 3.08Å; L2512-Q2516 VanDerWaalsContact O-CG 3.25Å; L2512-Q2516 WeakPolarHBondContact O-CG 3.42Å; L2512-Q2516 PolarHBondContact O-N 3.07Å; L2512-Q2516 VanDerWaalsContact O-N 3.13Å; L2512-Y2539 HydrophobicContact CD1-CE2 4.5Å; L2512-Y2539 HydrophobicContact CG-CE2 4.05Å; L2512-L2541 HydrophobicContact CD1-CD2 3.4Å; L2512-L2541 VanDerWaalsContact CD1-CD2 3.4Å; L2512-L2541 HydrophobicContact CD2-CD2 4.23Å; L2512-L2541 HydrophobicContact CG-CD2 4.09Å; L2512-F2543 HydrophobicContact CD1-CD1 4.23Å; L2512-F2543 HydrophobicContact CD1-CE1 4.13Å; L2512-F2543 HydrophobicContact CD1-CE2 3.92Å; L2512-F2543 HydrophobicContact CD1-CZ 4.25Å; L2512-F2543 HydrophobicContact CD2-CB 3.55Å; L2512-F2543 HydrophobicContact CD2-CD1 3.51Å; L2512-F2543 HydrophobicContact CD2-CD2 4.4Å; L2512-F2543 HydrophobicContact CD2-CE1 4.24Å; L2512-F2543 HydrophobicContact CD2-CG 3.59Å; L2512-Q2544 VanDerWaalsContact CD1-OE1 3.29Å; L2512-Y2545 HydrophobicContact CD1-CE2 4.1Å; L2512-Y2545 WeakPolarHBondContact CD1-OH 3.18Å; L2512-Y2545 VanDerWaalsContact CD2-OH 3.31Å; L2512-Y2545 WeakPolarHBondContact CD2-OH 3.36Å |
| 2513 | I | 38.7 | Very low | 37.1 | Very low | 37.6 Ų | 37.6 | 60.7 Ų | 60.7 | 19% | 0.193 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.5 | -45 | 177.2 | -68.4 | 168.5 | 0 | 0 | 0 | 110.4 | L2493 L2509 N2510 G2515 Q2516 V2517 Y2594 Y2610 | L2493-I2513 HydrophobicContact CD1-CD1 4.21Å; L2493-I2513 HydrophobicContact CD1-CG1 4.17Å; L2493-I2513 HydrophobicContact CD1-CG2 4.31Å; L2509-I2513 HydrophobicContact CD1-CD1 3.76Å; L2509-I2513 HydrophobicContact CD1-CG1 4.15Å; L2509-I2513 HydrophobicContact CD2-CD1 4.43Å; L2509-I2513 HydrophobicContact CG-CD1 4.06Å; L2509-I2513 WeakPolarHBondContact O-CB 3.18Å; L2509-I2513 VanDerWaalsContact O-CG1 3.3Å; L2509-I2513 WeakPolarHBondContact O-CG1 3.32Å; L2509-I2513 PolarHBondContact O-N 3.16Å; N2510-I2513 PolarHBondContact O-N 3.24Å; N2510-I2513 VanDerWaalsContact O-N 3.1Å; I2513-G2515 VanDerWaalsContact C-N 3.32Å; I2513-G2515 PolarHBondContact O-N 3.18Å; I2513-Q2516 WeakPolarHBondContact O-CB 3.38Å; I2513-Q2516 PolarHBondContact O-N 3.04Å; I2513-V2517 HydrophobicContact CG2-CG2 4.22Å; I2513-V2517 VanDerWaalsContact O-CB 3.28Å; I2513-V2517 WeakPolarHBondContact O-CB 3.38Å; I2513-V2517 VanDerWaalsContact O-CG2 3.24Å; I2513-V2517 WeakPolarHBondContact O-CG2 3.37Å; I2513-V2517 PolarHBondContact O-N 3.15Å; I2513-V2517 VanDerWaalsContact O-N 3.08Å; I2513-Y2594 WeakPolarHBondContact CD1-OH 3.3Å; I2513-Y2594 HydrophobicContact CG2-CD1 4.39Å; I2513-Y2594 HydrophobicContact CG2-CD2 4.27Å; I2513-Y2594 HydrophobicContact CG2-CE1 3.94Å; I2513-Y2594 HydrophobicContact CG2-CE2 3.82Å; I2513-Y2610 HydrophobicContact CG2-CD2 3.84Å; I2513-Y2610 HydrophobicContact CG2-CE2 4.25Å |
| 2514 | L | 38.7 | Very low | 37.3 | Very low | 66.6 Ų | 66.6 | 58.5 Ų | 58.5 | 35% | 0.349 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 175.3 | -74.6 | 166.4 | 0 | 0 | 0 | 111.7 | N2510 N2511 L2512 Q2516 V2517 A2518 I2567 Q2591 K2912 | N2510-L2514 VanDerWaalsContact O-CB 3.24Å; N2510-L2514 WeakPolarHBondContact O-CB 3.36Å; N2510-L2514 WeakPolarHBondContact O-CD1 3.37Å; N2510-L2514 WeakPolarHBondContact O-CG 3.45Å; N2510-L2514 PolarHBondContact O-N 3.22Å; N2511-L2514 PolarHBondContact O-N 3.07Å; L2512-L2514 VanDerWaalsContact C-N 3.34Å; L2512-L2514 PolarHBondContact O-N 2.75Å; L2514-Q2516 VanDerWaalsContact C-N 3.32Å; L2514-Q2516 PolarHBondContact O-N 2.98Å; L2514-V2517 CarbonylContact O-C 3.54Å; L2514-V2517 WeakPolarHBondContact O-CA 3.32Å; L2514-V2517 WeakPolarHBondContact O-CB 3.29Å; L2514-V2517 PolarHBondContact O-N 3.23Å; L2514-V2517 VanDerWaalsContact O-N 3.14Å; L2514-A2518 WeakPolarHBondContact O-CA 3.48Å; L2514-A2518 VanDerWaalsContact O-CB 3.28Å; L2514-A2518 WeakPolarHBondContact O-CB 3.37Å; L2514-A2518 PolarHBondContact O-N 2.93Å; L2514-I2567 HydrophobicContact CB-CD1 3.94Å; L2514-I2567 HydrophobicContact CD2-CD1 4.36Å; L2514-I2567 HydrophobicContact CD2-CG2 4.09Å; L2514-I2567 WeakPolarHBondContact O-CD1 3.24Å; L2514-Q2591 HydrophobicContact CD1-CG 4.09Å; L2514-Q2591 HydrophobicContact CD2-CB 3.55Å; L2514-Q2591 HydrophobicContact CD2-CG 3.53Å; L2514-Q2591 HydrophobicContact CG-CG 4.45Å; L2514-K2912 VanDerWaalsContact CD1-NZ 3.32Å |
| 2515 | G | 38.2 | Very low | 37.6 | Very low | 8 Ų | 8 | 60 Ų | 60 | 8% | 0.082 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N2511 L2512 I2513 V2517 A2518 I2519 F2559 | N2511-G2515 PolarHBondContact O-N 3.04Å; L2512-G2515 PolarHBondContact O-N 3.1Å; L2512-G2515 VanDerWaalsContact O-N 3.1Å; I2513-G2515 VanDerWaalsContact C-N 3.32Å; I2513-G2515 PolarHBondContact O-N 3.18Å; G2515-V2517 PolarHBondContact O-N 2.96Å; G2515-A2518 VanDerWaalsContact O-CB 3.3Å; G2515-A2518 WeakPolarHBondContact O-CB 3.31Å; G2515-A2518 PolarHBondContact O-N 3.16Å; G2515-A2518 VanDerWaalsContact O-N 3.12Å; G2515-I2519 WeakPolarHBondContact O-CD1 3.35Å; G2515-I2519 VanDerWaalsContact O-CG1 3.28Å; G2515-I2519 WeakPolarHBondContact O-CG1 3.39Å; G2515-I2519 PolarHBondContact O-N 3.13Å; G2515-F2559 VanDerWaalsContact CA-CD1 3.4Å; G2515-F2559 VanDerWaalsContact CA-CD2 3.45Å; G2515-F2559 WeakPolarHBondContact O-CE2 3.49Å; G2515-F2559 WeakPolarHBondContact O-CZ 3.45Å |
| 2516 | Q | 40.8 | Very low | 37.6 | Very low | 49.4 Ų | 49.4 | 59.2 Ų | 59.2 | 23% | 0.231 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 173.8 | -71.5 | 178.4 | 10.9 | 0 | 0 | 112.3 | L2512 I2513 L2514 A2518 I2519 L2520 R2537 C2540 Y2610 | L2512-Q2516 WeakPolarHBondContact O-CB 3.08Å; L2512-Q2516 VanDerWaalsContact O-CG 3.25Å; L2512-Q2516 WeakPolarHBondContact O-CG 3.42Å; L2512-Q2516 PolarHBondContact O-N 3.07Å; L2512-Q2516 VanDerWaalsContact O-N 3.13Å; I2513-Q2516 WeakPolarHBondContact O-CB 3.38Å; I2513-Q2516 PolarHBondContact O-N 3.04Å; L2514-Q2516 VanDerWaalsContact C-N 3.32Å; L2514-Q2516 PolarHBondContact O-N 2.98Å; Q2516-A2518 VanDerWaalsContact C-N 3.3Å; Q2516-A2518 PolarHBondContact O-N 2.99Å; Q2516-I2519 PolarHBondContact O-N 3.21Å; Q2516-L2520 WeakPolarHBondContact O-CB 3.46Å; Q2516-L2520 WeakPolarHBondContact O-CD1 3.44Å; Q2516-L2520 WeakPolarHBondContact O-CG 3.17Å; Q2516-L2520 PolarHBondContact O-N 2.99Å; Q2516-L2520 VanDerWaalsContact O-N 3.11Å; Q2516-R2537 HydrophobicContact CG-CG 4.14Å; Q2516-C2540 HydrophobicContact CB-CB 4.09Å; Q2516-C2540 WeakPolarHBondContact CB-SG 3.12Å; Q2516-C2540 VanDerWaalsContact CD-CB 3.48Å; Q2516-C2540 HydrophobicContact CG-CB 4.15Å; Q2516-C2540 WeakPolarHBondContact CG-SG 3.25Å; Q2516-C2540 PolarHBondContact NE2-O 2.81Å; Q2516-Y2610 HydrophobicContact CB-CE2 4.31Å |
| 2517 | V | 38.2 | Very low | 37.6 | Very low | 51.6 Ų | 51.6 | 61.6 Ų | 61.6 | 31% | 0.313 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 173.8 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | L2474 I2489 I2513 L2514 G2515 I2519 L2520 A2521 Y2610 L2613 I2617 | L2474-V2517 HydrophobicContact CD2-CG2 4.34Å; I2489-V2517 HydrophobicContact CD1-CG1 4.07Å; I2513-V2517 HydrophobicContact CG2-CG2 4.22Å; I2513-V2517 VanDerWaalsContact O-CB 3.28Å; I2513-V2517 WeakPolarHBondContact O-CB 3.38Å; I2513-V2517 VanDerWaalsContact O-CG2 3.24Å; I2513-V2517 WeakPolarHBondContact O-CG2 3.37Å; I2513-V2517 PolarHBondContact O-N 3.15Å; I2513-V2517 VanDerWaalsContact O-N 3.08Å; L2514-V2517 CarbonylContact O-C 3.54Å; L2514-V2517 WeakPolarHBondContact O-CA 3.32Å; L2514-V2517 WeakPolarHBondContact O-CB 3.29Å; L2514-V2517 PolarHBondContact O-N 3.23Å; L2514-V2517 VanDerWaalsContact O-N 3.14Å; G2515-V2517 PolarHBondContact O-N 2.96Å; V2517-I2519 PolarHBondContact O-N 3.15Å; V2517-L2520 WeakPolarHBondContact O-CB 3.31Å; V2517-L2520 PolarHBondContact O-N 3.21Å; V2517-A2521 WeakPolarHBondContact O-CA 3.16Å; V2517-A2521 VanDerWaalsContact O-CB 3.27Å; V2517-A2521 WeakPolarHBondContact O-CB 3.33Å; V2517-A2521 PolarHBondContact O-N 3.1Å; V2517-Y2610 HydrophobicContact CG2-CE2 4.11Å; V2517-L2613 HydrophobicContact CB-CD2 4.3Å; V2517-L2613 HydrophobicContact CG1-CD2 4.05Å; V2517-L2613 HydrophobicContact CG2-CD2 3.28Å; V2517-L2613 HydrophobicContact CG2-CG 4.18Å; V2517-I2617 HydrophobicContact CG1-CD1 3.87Å |
| 2518 | A | 37.3 | Very low | 37.7 | Very low | 11.2 Ų | 11.2 | 57.4 Ų | 57.4 | 9% | 0.093 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63 | -46.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L2514 G2515 Q2516 L2520 A2521 Y2522 I2528 L2536 F2559 L2563 I2567 L2587 | L2514-A2518 WeakPolarHBondContact O-CA 3.48Å; L2514-A2518 VanDerWaalsContact O-CB 3.28Å; L2514-A2518 WeakPolarHBondContact O-CB 3.37Å; L2514-A2518 PolarHBondContact O-N 2.93Å; G2515-A2518 VanDerWaalsContact O-CB 3.3Å; G2515-A2518 WeakPolarHBondContact O-CB 3.31Å; G2515-A2518 PolarHBondContact O-N 3.16Å; G2515-A2518 VanDerWaalsContact O-N 3.12Å; Q2516-A2518 VanDerWaalsContact C-N 3.3Å; Q2516-A2518 PolarHBondContact O-N 2.99Å; A2518-L2520 VanDerWaalsContact C-N 3.29Å; A2518-L2520 PolarHBondContact O-N 3.24Å; A2518-A2521 WeakPolarHBondContact O-CB 3.31Å; A2518-A2521 PolarHBondContact O-N 3.03Å; A2518-Y2522 HydrophobicContact CB-CD2 4.26Å; A2518-Y2522 HydrophobicContact CB-CE2 4.22Å; A2518-Y2522 VanDerWaalsContact O-CB 3.26Å; A2518-Y2522 WeakPolarHBondContact O-CB 3.36Å; A2518-Y2522 WeakPolarHBondContact O-CD2 3.34Å; A2518-Y2522 PolarHBondContact O-N 3.16Å; A2518-I2528 HydrophobicContact CB-CD1 4.4Å; A2518-L2536 HydrophobicContact CB-CD1 4.44Å; A2518-F2559 HydrophobicContact CB-CE1 3.9Å; A2518-F2559 HydrophobicContact CB-CZ 3.82Å; A2518-L2563 HydrophobicContact CB-CB 3.89Å; A2518-L2563 HydrophobicContact CB-CD2 4.25Å; A2518-I2567 HydrophobicContact CB-CD1 3.44Å; A2518-I2567 VanDerWaalsContact CB-CD1 3.44Å; A2518-I2567 HydrophobicContact CB-CG1 3.92Å; A2518-L2587 HydrophobicContact CB-CD2 3.57Å |
| 2519 | I | 40.9 | Very low | 37.9 | Very low | 38.2 Ų | 38.2 | 58 Ų | 58 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 176.9 | -64.2 | 162.5 | 0 | 0 | 0 | 111 | G2515 Q2516 V2517 A2521 Y2522 S2523 L2526 I2528 I2533 L2536 C2540 F2559 F2562 L2563 | G2515-I2519 WeakPolarHBondContact O-CD1 3.35Å; G2515-I2519 VanDerWaalsContact O-CG1 3.28Å; G2515-I2519 WeakPolarHBondContact O-CG1 3.39Å; G2515-I2519 PolarHBondContact O-N 3.13Å; Q2516-I2519 PolarHBondContact O-N 3.21Å; V2517-I2519 PolarHBondContact O-N 3.15Å; I2519-A2521 VanDerWaalsContact C-N 3.29Å; I2519-A2521 PolarHBondContact O-N 2.83Å; I2519-Y2522 CarbonylContact O-C 3.37Å; I2519-Y2522 PolarHBondContact O-N 3.19Å; I2519-S2523 VanDerWaalsContact O-CA 3.3Å; I2519-S2523 WeakPolarHBondContact O-CA 3.4Å; I2519-S2523 VanDerWaalsContact O-CB 3.3Å; I2519-S2523 WeakPolarHBondContact O-CB 3.38Å; I2519-S2523 PolarHBondContact O-N 2.99Å; I2519-L2526 HydrophobicContact CG2-CD1 4.37Å; I2519-I2528 HydrophobicContact CG2-CD1 3.68Å; I2519-I2533 HydrophobicContact CG2-CG2 4.34Å; I2519-L2536 HydrophobicContact CB-CD2 4.05Å; I2519-L2536 HydrophobicContact CD1-CD2 4.1Å; I2519-L2536 HydrophobicContact CG2-CB 4.47Å; I2519-L2536 HydrophobicContact CG2-CD1 3.71Å; I2519-L2536 HydrophobicContact CG2-CD2 3.65Å; I2519-L2536 HydrophobicContact CG2-CG 4.18Å; I2519-C2540 HydrophobicContact CD1-CB 3.69Å; I2519-F2559 HydrophobicContact CD1-CE2 3.95Å; I2519-F2559 HydrophobicContact CG1-CE2 3.93Å; I2519-F2559 HydrophobicContact CG1-CZ 4.18Å; I2519-F2562 HydrophobicContact CD1-CD1 4.15Å; I2519-F2562 HydrophobicContact CD1-CE1 3.48Å; I2519-F2562 VanDerWaalsContact CD1-CE1 3.48Å; I2519-F2562 HydrophobicContact CD1-CZ 4.13Å; I2519-F2562 HydrophobicContact CG1-CD1 4.48Å; I2519-F2562 HydrophobicContact CG1-CE1 3.93Å; I2519-L2563 HydrophobicContact CD1-CD1 4.18Å; I2519-L2563 HydrophobicContact CG1-CD1 3.82Å |
| 2520 | L | 38.9 | Very low | 37.9 | Very low | 75 Ų | 75 | 61.4 Ų | 61.4 | 39% | 0.393 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.7 | -40.5 | 175.2 | -75.3 | 166.7 | 0 | 0 | 0 | 112.8 | L2474 Q2516 V2517 A2518 Y2522 S2523 I2533 L2536 F2614 | L2474-L2520 HydrophobicContact CD2-CD1 4.1Å; Q2516-L2520 WeakPolarHBondContact O-CB 3.46Å; Q2516-L2520 WeakPolarHBondContact O-CD1 3.44Å; Q2516-L2520 WeakPolarHBondContact O-CG 3.17Å; Q2516-L2520 PolarHBondContact O-N 2.99Å; Q2516-L2520 VanDerWaalsContact O-N 3.11Å; V2517-L2520 WeakPolarHBondContact O-CB 3.31Å; V2517-L2520 PolarHBondContact O-N 3.21Å; A2518-L2520 VanDerWaalsContact C-N 3.29Å; A2518-L2520 PolarHBondContact O-N 3.24Å; L2520-Y2522 VanDerWaalsContact C-N 3.29Å; L2520-Y2522 PolarHBondContact O-N 2.81Å; L2520-S2523 VanDerWaalsContact O-CB 3.28Å; L2520-S2523 WeakPolarHBondContact O-CB 3.47Å; L2520-S2523 PolarHBondContact O-N 3.22Å; L2520-S2523 VanDerWaalsContact O-N 3.15Å; L2520-S2523 PolarHBondContact O-OG 3.15Å; L2520-I2533 HydrophobicContact CD2-CD1 4.19Å; L2520-I2533 HydrophobicContact CD2-CG2 3.95Å; L2520-I2533 HydrophobicContact CG-CG2 4.3Å; L2520-L2536 HydrophobicContact CD2-CB 4.23Å; L2520-L2536 HydrophobicContact CD2-CD2 4.32Å; L2520-L2536 HydrophobicContact CG-CD2 4.24Å; L2520-F2614 HydrophobicContact CD1-CD2 3.6Å; L2520-F2614 HydrophobicContact CD1-CE2 3.69Å; L2520-F2614 HydrophobicContact CD2-CE2 4.17Å |
| 2521 | A | 36.4 | Very low | 37.8 | Very low | 38.2 Ų | 38.2 | 60.5 Ų | 60.5 | 32% | 0.316 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | V2517 A2518 I2519 S2523 K2524 Q2525 L2526 Y2590 | V2517-A2521 WeakPolarHBondContact O-CA 3.16Å; V2517-A2521 VanDerWaalsContact O-CB 3.27Å; V2517-A2521 WeakPolarHBondContact O-CB 3.33Å; V2517-A2521 PolarHBondContact O-N 3.1Å; A2518-A2521 WeakPolarHBondContact O-CB 3.31Å; A2518-A2521 PolarHBondContact O-N 3.03Å; I2519-A2521 VanDerWaalsContact C-N 3.29Å; I2519-A2521 PolarHBondContact O-N 2.83Å; A2521-S2523 VanDerWaalsContact C-N 3.33Å; A2521-S2523 PolarHBondContact O-N 3.12Å; A2521-K2524 CarbonylContact O-C 3.6Å; A2521-K2524 WeakPolarHBondContact O-CA 3.4Å; A2521-K2524 PolarHBondContact O-N 3.45Å; A2521-Q2525 PolarHBondContact O-N 3.07Å; A2521-L2526 HydrophobicContact CB-CB 3.62Å; A2521-L2526 HydrophobicContact CB-CD1 3.46Å; A2521-L2526 VanDerWaalsContact CB-CD1 3.46Å; A2521-L2526 HydrophobicContact CB-CG 4.14Å; A2521-L2526 WeakPolarHBondContact O-CB 3.32Å; A2521-L2526 PolarHBondContact O-N 2.88Å; A2521-L2526 VanDerWaalsContact O-N 3.16Å; A2521-Y2590 HydrophobicContact CB-CD2 3.74Å; A2521-Y2590 HydrophobicContact CB-CE2 3.57Å |
| 2522 | Y | 38.2 | Very low | 37.9 | Very low | 66.2 Ų | 66.2 | 61.3 Ų | 61.3 | 26% | 0.26 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -83.3 | -9.9 | 178.9 | -77 | -75.8 | 0 | 0 | 0 | 113.9 | F2482 A2518 I2519 L2520 K2524 Q2525 L2526 I2528 I2566 I2567 L2583 L2587 | F2482-Y2522 AromaticContact CE2-CE1 3.85Å; F2482-Y2522 HydrophobicContact CE2-CE1 3.85Å; F2482-Y2522 AromaticContact CE2-CZ 3.97Å; F2482-Y2522 HydrophobicContact CZ-CE1 4.25Å; F2482-Y2522 WeakPolarHBondContact CZ-OH 3.3Å; A2518-Y2522 HydrophobicContact CB-CD2 4.26Å; A2518-Y2522 HydrophobicContact CB-CE2 4.22Å; A2518-Y2522 VanDerWaalsContact O-CB 3.26Å; A2518-Y2522 WeakPolarHBondContact O-CB 3.36Å; A2518-Y2522 WeakPolarHBondContact O-CD2 3.34Å; A2518-Y2522 PolarHBondContact O-N 3.16Å; I2519-Y2522 CarbonylContact O-C 3.37Å; I2519-Y2522 PolarHBondContact O-N 3.19Å; L2520-Y2522 VanDerWaalsContact C-N 3.29Å; L2520-Y2522 PolarHBondContact O-N 2.81Å; Y2522-K2524 VanDerWaalsContact C-N 3.28Å; Y2522-K2524 PolarHBondContact O-N 3.02Å; Y2522-K2524 VanDerWaalsContact O-N 3.09Å; Y2522-Q2525 HydrophobicContact CD1-CB 4.36Å; Y2522-Q2525 HydrophobicContact CD1-CG 4.38Å; Y2522-Q2525 CarbonylContact O-C 3.2Å; Y2522-Q2525 WeakPolarHBondContact O-CA 3.27Å; Y2522-Q2525 PolarHBondContact O-N 3.29Å; Y2522-L2526 WeakPolarHBondContact O-CB 3.41Å; Y2522-L2526 VanDerWaalsContact O-CG 3.28Å; Y2522-L2526 WeakPolarHBondContact O-CG 3.36Å; Y2522-L2526 PolarHBondContact O-N 2.96Å; Y2522-I2528 HydrophobicContact CD2-CB 4.49Å; Y2522-I2528 HydrophobicContact CD2-CD1 3.13Å; Y2522-I2528 HydrophobicContact CD2-CG1 3.52Å; Y2522-I2528 HydrophobicContact CE2-CB 4.09Å; Y2522-I2528 HydrophobicContact CE2-CD1 3.39Å; Y2522-I2528 HydrophobicContact CE2-CG1 3.6Å; Y2522-I2528 HydrophobicContact CG-CD1 4.19Å; Y2522-I2566 HydrophobicContact CD1-CG2 4.18Å; Y2522-I2566 HydrophobicContact CD2-CG2 3.78Å; Y2522-I2566 HydrophobicContact CE1-CG2 3.77Å; Y2522-I2566 HydrophobicContact CE2-CG2 3.32Å; Y2522-I2566 HydrophobicContact CG-CG2 4.18Å; Y2522-I2566 PolarHBondContact OH-O 3.22Å; Y2522-I2567 HydrophobicContact CE2-CG1 4.36Å; Y2522-L2583 HydrophobicContact CD1-CD1 4.11Å; Y2522-L2583 HydrophobicContact CE1-CD1 3.5Å; Y2522-L2583 VanDerWaalsContact CE1-CD1 3.5Å; Y2522-L2583 HydrophobicContact CE1-CG 4.16Å; Y2522-L2583 HydrophobicContact CE2-CD1 4Å; Y2522-L2583 HydrophobicContact CE2-CG 4.17Å; Y2522-L2583 VanDerWaalsContact CZ-CD1 3.48Å; Y2522-L2583 WeakPolarHBondContact OH-CA 3.33Å; Y2522-L2583 WeakPolarHBondContact OH-CG 3.42Å; Y2522-L2583 PolarHBondContact OH-O 2.97Å; Y2522-L2583 VanDerWaalsContact OH-O 3.08Å; Y2522-L2587 HydrophobicContact CE2-CD1 4.06Å; Y2522-L2587 HydrophobicContact CE2-CD2 3.92Å; Y2522-L2587 HydrophobicContact CE2-CG 3.88Å |
| 2523 | S | 38.7 | Very low | 37.9 | Very low | 29.4 Ų | 29.4 | 61.2 Ų | 61.2 | 21% | 0.206 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -33.3 | 175.6 | 67 | 0 | 0 | 0 | 0 | 113.3 | I2519 L2520 A2521 Q2525 L2526 N2527 I2528 I2533 | I2519-S2523 VanDerWaalsContact O-CA 3.3Å; I2519-S2523 WeakPolarHBondContact O-CA 3.4Å; I2519-S2523 VanDerWaalsContact O-CB 3.3Å; I2519-S2523 WeakPolarHBondContact O-CB 3.38Å; I2519-S2523 PolarHBondContact O-N 2.99Å; L2520-S2523 VanDerWaalsContact O-CB 3.28Å; L2520-S2523 WeakPolarHBondContact O-CB 3.47Å; L2520-S2523 PolarHBondContact O-N 3.22Å; L2520-S2523 VanDerWaalsContact O-N 3.15Å; L2520-S2523 PolarHBondContact O-OG 3.15Å; A2521-S2523 VanDerWaalsContact C-N 3.33Å; A2521-S2523 PolarHBondContact O-N 3.12Å; S2523-Q2525 VanDerWaalsContact C-N 3.3Å; S2523-Q2525 PolarHBondContact O-N 2.95Å; S2523-L2526 CarbonylContact O-C 3.49Å; S2523-L2526 PolarHBondContact O-N 2.95Å; S2523-N2527 CarbonylContact O-C 3.54Å; S2523-N2527 WeakPolarHBondContact O-CA 3.33Å; S2523-N2527 PolarHBondContact O-N 3.11Å; S2523-I2528 PolarHBondContact O-N 3.4Å; S2523-I2533 WeakPolarHBondContact OG-CD1 3.45Å |
| 2524 | K | 34.7 | Very low | 37.9 | Very low | 146.2 Ų | 146.2 | 60.9 Ų | 60.9 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -9.2 | 176.6 | -106.5 | -177.9 | 179.5 | 179.1 | 0 | 113.8 | E2434 C2478 A2521 Y2522 L2526 | E2434-K2524 IonicContact OE1-NZ 2.89Å; E2434-K2524 PolarHBondContact OE1-NZ 3.17Å; E2434-K2524 VanDerWaalsContact OE1-NZ 3.1Å; C2478-K2524 PolarHBondContact O-NZ 3.32Å; A2521-K2524 CarbonylContact O-C 3.6Å; A2521-K2524 WeakPolarHBondContact O-CA 3.4Å; A2521-K2524 PolarHBondContact O-N 3.45Å; Y2522-K2524 VanDerWaalsContact C-N 3.28Å; Y2522-K2524 PolarHBondContact O-N 3.02Å; Y2522-K2524 VanDerWaalsContact O-N 3.09Å; K2524-L2526 PolarHBondContact O-N 3.15Å |
| 2525 | Q | 35.6 | Very low | 38 | Very low | 127.2 Ų | 127.2 | 60.2 Ų | 60.2 | 59% | 0.594 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -14.9 | 173.4 | -68.4 | -174.9 | -21.8 | 0 | 0 | 112.8 | A2521 Y2522 S2523 N2527 R2624 | A2521-Q2525 PolarHBondContact O-N 3.07Å; Y2522-Q2525 HydrophobicContact CD1-CB 4.36Å; Y2522-Q2525 HydrophobicContact CD1-CG 4.38Å; Y2522-Q2525 CarbonylContact O-C 3.2Å; Y2522-Q2525 WeakPolarHBondContact O-CA 3.27Å; Y2522-Q2525 PolarHBondContact O-N 3.29Å; S2523-Q2525 VanDerWaalsContact C-N 3.3Å; S2523-Q2525 PolarHBondContact O-N 2.95Å; Q2525-N2527 PolarHBondContact O-N 2.93Å; Q2525-R2624 VanDerWaalsContact O-CZ 3.28Å; Q2525-R2624 PolarHBondContact O-NH1 2.97Å; Q2525-R2624 PolarHBondContact O-NH2 3.41Å |
| 2526 | L | 35.4 | Very low | 38.2 | Very low | 57.4 Ų | 57.4 | 61.2 Ų | 61.2 | 30% | 0.301 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 17.5 | 178.2 | -68.6 | 166.3 | 0 | 0 | 0 | 112.3 | I2519 A2521 Y2522 S2523 K2524 I2528 I2567 I2617 K2638 | I2519-L2526 HydrophobicContact CG2-CD1 4.37Å; A2521-L2526 HydrophobicContact CB-CB 3.62Å; A2521-L2526 HydrophobicContact CB-CD1 3.46Å; A2521-L2526 VanDerWaalsContact CB-CD1 3.46Å; A2521-L2526 HydrophobicContact CB-CG 4.14Å; A2521-L2526 WeakPolarHBondContact O-CB 3.32Å; A2521-L2526 PolarHBondContact O-N 2.88Å; A2521-L2526 VanDerWaalsContact O-N 3.16Å; Y2522-L2526 WeakPolarHBondContact O-CB 3.41Å; Y2522-L2526 VanDerWaalsContact O-CG 3.28Å; Y2522-L2526 WeakPolarHBondContact O-CG 3.36Å; Y2522-L2526 PolarHBondContact O-N 2.96Å; S2523-L2526 CarbonylContact O-C 3.49Å; S2523-L2526 PolarHBondContact O-N 2.95Å; K2524-L2526 PolarHBondContact O-N 3.15Å; L2526-I2528 HydrophobicContact CB-CD1 3.87Å; L2526-I2528 HydrophobicContact CB-CG1 3.79Å; L2526-I2528 HydrophobicContact CD1-CD1 3.98Å; L2526-I2528 HydrophobicContact CG-CD1 4.38Å; L2526-I2528 PolarHBondContact O-N 3.22Å; L2526-I2528 VanDerWaalsContact O-N 3.14Å; L2526-I2567 HydrophobicContact CD2-CD1 4.17Å; L2526-I2567 HydrophobicContact CD2-CG1 4.2Å; L2526-I2617 HydrophobicContact CD2-CG2 3.7Å; L2526-K2638 PolarHBondContact O-NZ 3.29Å |
| 2527 | N | 35.7 | Very low | 38.2 | Very low | 140.8 Ų | 140.8 | 64.1 Ų | 64.1 | 75% | 0.753 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 39.1 | 36.7 | -176.7 | -82.5 | -19.4 | 0 | 0 | 0 | 114.2 | S2523 Q2525 S2529 | S2523-N2527 CarbonylContact O-C 3.54Å; S2523-N2527 WeakPolarHBondContact O-CA 3.33Å; S2523-N2527 PolarHBondContact O-N 3.11Å; Q2525-N2527 PolarHBondContact O-N 2.93Å; N2527-S2529 PolarHBondContact O-N 3.02Å; N2527-S2529 VanDerWaalsContact O-N 3.09Å |
| 2528 | I | 37.7 | Very low | 38.3 | Very low | 30.2 Ų | 30.2 | 65.6 Ų | 65.6 | 16% | 0.155 | 36% | 0.362 | C | S | . | . | trans | -68.6 | 116.2 | 178.8 | -61.7 | 178.1 | 0 | 0 | 0 | 108.9 | A2518 I2519 Y2522 S2523 L2526 H2532 I2533 L2536 I2566 | A2518-I2528 HydrophobicContact CB-CD1 4.4Å; I2519-I2528 HydrophobicContact CG2-CD1 3.68Å; Y2522-I2528 HydrophobicContact CD2-CB 4.49Å; Y2522-I2528 HydrophobicContact CD2-CD1 3.13Å; Y2522-I2528 HydrophobicContact CD2-CG1 3.52Å; Y2522-I2528 HydrophobicContact CE2-CB 4.09Å; Y2522-I2528 HydrophobicContact CE2-CD1 3.39Å; Y2522-I2528 HydrophobicContact CE2-CG1 3.6Å; Y2522-I2528 HydrophobicContact CG-CD1 4.19Å; S2523-I2528 PolarHBondContact O-N 3.4Å; L2526-I2528 HydrophobicContact CB-CD1 3.87Å; L2526-I2528 HydrophobicContact CB-CG1 3.79Å; L2526-I2528 HydrophobicContact CD1-CD1 3.98Å; L2526-I2528 HydrophobicContact CG-CD1 4.38Å; L2526-I2528 PolarHBondContact O-N 3.22Å; L2526-I2528 VanDerWaalsContact O-N 3.14Å; I2528-H2532 HydrophobicContact CG2-CB 3.77Å; I2528-I2533 HydrophobicContact CG2-CG1 4.22Å; I2528-L2536 HydrophobicContact CD1-CD1 4.04Å; I2528-L2536 HydrophobicContact CD1-CD2 3.7Å; I2528-L2536 HydrophobicContact CG2-CD1 4.16Å; I2528-I2566 HydrophobicContact CG2-CD1 4.49Å | ||
| 2529 | S | 40.2 | Very low | 38.5 | Very low | 50.4 Ų | 50.4 | 67.2 Ų | 67.2 | 35% | 0.352 | 37% | 0.366 | S | S | . | . | trans | -59.5 | 147.8 | 176.4 | 95.7 | 0 | 0 | 0 | 0 | 111.5 | N2527 G2531 H2532 I2533 E2635 | N2527-S2529 PolarHBondContact O-N 3.02Å; N2527-S2529 VanDerWaalsContact O-N 3.09Å; S2529-G2531 PolarHBondContact O-N 2.99Å; S2529-G2531 VanDerWaalsContact O-N 3.09Å; S2529-G2531 PolarHBondContact OG-N 2.96Å; S2529-H2532 WeakPolarHBondContact O-CA 3.29Å; S2529-H2532 WeakPolarHBondContact O-CB 3.32Å; S2529-H2532 PolarHBondContact O-N 3.04Å; S2529-H2532 PolarHBondContact OG-CD2 3.19Å; S2529-H2532 VanDerWaalsContact OG-CG 3.28Å; S2529-H2532 PolarHBondContact OG-N 2.9Å; S2529-H2532 PolarHBondContact OG-NE2 3.13Å; S2529-H2532 VanDerWaalsContact OG-NE2 3.08Å; S2529-I2533 PolarHBondContact O-N 3.1Å; S2529-E2635 PolarHBondContact N-OE1 3.36Å | ||
| 2530 | T | 37.1 | Very low | 38.5 | Very low | 101.8 Ų | 101.8 | 66.8 Ų | 66.8 | 63% | 0.625 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -59.6 | -24.9 | -179.9 | 48.9 | 0 | 0 | 0 | 0 | 113.3 | H2532 I2533 | T2530-H2532 VanDerWaalsContact C-N 3.31Å; T2530-H2532 PolarHBondContact O-N 3.22Å; T2530-I2533 HydrophobicContact CG2-CD1 4.32Å; T2530-I2533 WeakPolarHBondContact O-CB 3.35Å; T2530-I2533 PolarHBondContact O-N 3.4Å |
| 2531 | G | 35.4 | Very low | 38.4 | Very low | 47.2 Ų | 47.2 | 65.5 Ų | 65.5 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.4 | -30.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S2529 I2533 G2534 S2535 | S2529-G2531 PolarHBondContact O-N 2.99Å; S2529-G2531 VanDerWaalsContact O-N 3.09Å; S2529-G2531 PolarHBondContact OG-N 2.96Å; G2531-I2533 VanDerWaalsContact C-N 3.33Å; G2531-I2533 PolarHBondContact O-N 3.19Å; G2531-G2534 PolarHBondContact O-N 3.21Å; G2531-S2535 PolarHBondContact O-N 3.39Å; G2531-S2535 PolarHBondContact O-OG 3.41Å |
| 2532 | H | 39.7 | Very low | 38.4 | Very low | 65.8 Ų | 65.8 | 65.7 Ų | 65.7 | 31% | 0.305 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -80.7 | -20.1 | 178.2 | -62 | -46.6 | 0 | 0 | 0 | 113.2 | I2528 S2529 T2530 G2534 S2535 L2536 F2562 I2566 C2639 I2642 N2643 | I2528-H2532 HydrophobicContact CG2-CB 3.77Å; S2529-H2532 WeakPolarHBondContact O-CA 3.29Å; S2529-H2532 WeakPolarHBondContact O-CB 3.32Å; S2529-H2532 PolarHBondContact O-N 3.04Å; S2529-H2532 PolarHBondContact OG-CD2 3.19Å; S2529-H2532 VanDerWaalsContact OG-CG 3.28Å; S2529-H2532 PolarHBondContact OG-N 2.9Å; S2529-H2532 PolarHBondContact OG-NE2 3.13Å; S2529-H2532 VanDerWaalsContact OG-NE2 3.08Å; T2530-H2532 VanDerWaalsContact C-N 3.31Å; T2530-H2532 PolarHBondContact O-N 3.22Å; H2532-G2534 VanDerWaalsContact C-N 3.27Å; H2532-G2534 PolarHBondContact O-N 2.99Å; H2532-S2535 CarbonylContact O-C 3.51Å; H2532-S2535 WeakPolarHBondContact O-CB 3.35Å; H2532-S2535 PolarHBondContact O-N 3.11Å; H2532-S2535 VanDerWaalsContact O-N 3.11Å; H2532-L2536 VanDerWaalsContact O-CB 3.25Å; H2532-L2536 WeakPolarHBondContact O-CB 3.4Å; H2532-L2536 PolarHBondContact O-N 2.95Å; H2532-F2562 HydrophobicContact CB-CD2 4.21Å; H2532-F2562 HydrophobicContact CB-CE2 3.94Å; H2532-F2562 HydrophobicContact CB-CZ 4.28Å; H2532-F2562 AromaticContact CG-CE2 3.98Å; H2532-F2562 VanDerWaalsContact O-CE2 3.32Å; H2532-F2562 WeakPolarHBondContact O-CE2 3Å; H2532-I2566 HydrophobicContact CB-CD1 4.02Å; H2532-I2566 HydrophobicContact CB-CG1 4.41Å; H2532-I2566 WeakPolarHBondContact CD2-CG1 3.31Å; H2532-C2639 PolarHBondContact NE2-SG 2.83Å; H2532-I2642 HydrophobicContact CB-CG2 4.24Å; H2532-N2643 PolarHBondContact CE1-OD1 3.49Å |
| 2533 | I | 40.4 | Very low | 38.4 | Very low | 46.4 Ų | 46.4 | 65.9 Ų | 65.9 | 24% | 0.238 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.8 | -38.4 | 173.2 | -60.9 | 175.3 | 0 | 0 | 0 | 110.6 | I2519 L2520 S2523 I2528 S2529 T2530 G2531 S2535 L2536 R2537 F2614 | I2519-I2533 HydrophobicContact CG2-CG2 4.34Å; L2520-I2533 HydrophobicContact CD2-CD1 4.19Å; L2520-I2533 HydrophobicContact CD2-CG2 3.95Å; L2520-I2533 HydrophobicContact CG-CG2 4.3Å; S2523-I2533 WeakPolarHBondContact OG-CD1 3.45Å; I2528-I2533 HydrophobicContact CG2-CG1 4.22Å; S2529-I2533 PolarHBondContact O-N 3.1Å; T2530-I2533 HydrophobicContact CG2-CD1 4.32Å; T2530-I2533 WeakPolarHBondContact O-CB 3.35Å; T2530-I2533 PolarHBondContact O-N 3.4Å; G2531-I2533 VanDerWaalsContact C-N 3.33Å; G2531-I2533 PolarHBondContact O-N 3.19Å; I2533-S2535 PolarHBondContact O-N 3.33Å; I2533-L2536 PolarHBondContact O-N 2.98Å; I2533-R2537 WeakPolarHBondContact O-CB 3.32Å; I2533-R2537 PolarHBondContact O-N 3.13Å; I2533-R2537 VanDerWaalsContact O-N 3.16Å; I2533-F2614 HydrophobicContact CG2-CE2 4.29Å; I2533-F2614 HydrophobicContact CG2-CZ 3.75Å |
| 2534 | G | 36.9 | Very low | 38.1 | Very low | 31.8 Ų | 31.8 | 67.6 Ų | 67.6 | 33% | 0.328 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.4 | -49.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G2531 H2532 L2536 R2537 D2538 | G2531-G2534 PolarHBondContact O-N 3.21Å; H2532-G2534 VanDerWaalsContact C-N 3.27Å; H2532-G2534 PolarHBondContact O-N 2.99Å; G2534-L2536 VanDerWaalsContact C-N 3.31Å; G2534-L2536 PolarHBondContact O-N 3.09Å; G2534-R2537 CarbonylContact O-C 3.6Å; G2534-R2537 WeakPolarHBondContact O-CB 3.28Å; G2534-R2537 PolarHBondContact O-N 3.12Å; G2534-R2537 VanDerWaalsContact O-N 3.11Å; G2534-D2538 WeakPolarHBondContact O-CB 3.43Å; G2534-D2538 VanDerWaalsContact O-CG 3.25Å; G2534-D2538 PolarHBondContact O-N 3.12Å |
| 2535 | S | 41 | Very low | 38 | Very low | 52.4 Ų | 52.4 | 68.7 Ų | 68.7 | 37% | 0.366 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67 | -32.2 | 178.9 | -47.6 | 0 | 0 | 0 | 0 | 113.6 | G2531 H2532 I2533 D2538 Y2539 | G2531-S2535 PolarHBondContact O-N 3.39Å; G2531-S2535 PolarHBondContact O-OG 3.41Å; H2532-S2535 CarbonylContact O-C 3.51Å; H2532-S2535 WeakPolarHBondContact O-CB 3.35Å; H2532-S2535 PolarHBondContact O-N 3.11Å; H2532-S2535 VanDerWaalsContact O-N 3.11Å; I2533-S2535 PolarHBondContact O-N 3.33Å; S2535-D2538 PolarHBondContact O-N 3.28Å; S2535-Y2539 WeakPolarHBondContact O-CA 3.44Å; S2535-Y2539 VanDerWaalsContact O-CB 3.29Å; S2535-Y2539 WeakPolarHBondContact O-CB 3.31Å; S2535-Y2539 PolarHBondContact O-N 3.07Å |
| 2536 | L | 42.1 | Very low | 37.7 | Very low | 28.6 Ų | 28.6 | 65.3 Ų | 65.3 | 15% | 0.15 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.3 | -42 | 173.4 | -147.5 | 117.9 | 0 | 0 | 0 | 110.9 | A2518 I2519 L2520 I2528 H2532 I2533 G2534 D2538 Y2539 C2540 F2559 F2562 I2642 | A2518-L2536 HydrophobicContact CB-CD1 4.44Å; I2519-L2536 HydrophobicContact CB-CD2 4.05Å; I2519-L2536 HydrophobicContact CD1-CD2 4.1Å; I2519-L2536 HydrophobicContact CG2-CB 4.47Å; I2519-L2536 HydrophobicContact CG2-CD1 3.71Å; I2519-L2536 HydrophobicContact CG2-CD2 3.65Å; I2519-L2536 HydrophobicContact CG2-CG 4.18Å; L2520-L2536 HydrophobicContact CD2-CB 4.23Å; L2520-L2536 HydrophobicContact CD2-CD2 4.32Å; L2520-L2536 HydrophobicContact CG-CD2 4.24Å; I2528-L2536 HydrophobicContact CD1-CD1 4.04Å; I2528-L2536 HydrophobicContact CD1-CD2 3.7Å; I2528-L2536 HydrophobicContact CG2-CD1 4.16Å; H2532-L2536 VanDerWaalsContact O-CB 3.25Å; H2532-L2536 WeakPolarHBondContact O-CB 3.4Å; H2532-L2536 PolarHBondContact O-N 2.95Å; I2533-L2536 PolarHBondContact O-N 2.98Å; G2534-L2536 VanDerWaalsContact C-N 3.31Å; G2534-L2536 PolarHBondContact O-N 3.09Å; L2536-D2538 VanDerWaalsContact C-N 3.3Å; L2536-D2538 PolarHBondContact O-N 2.89Å; L2536-Y2539 HydrophobicContact CD1-CD1 4.44Å; L2536-Y2539 CarbonylContact O-C 3.53Å; L2536-Y2539 WeakPolarHBondContact O-CB 3.36Å; L2536-Y2539 PolarHBondContact O-N 2.91Å; L2536-Y2539 VanDerWaalsContact O-N 3.13Å; L2536-C2540 WeakPolarHBondContact O-CB 3.37Å; L2536-C2540 PolarHBondContact O-N 3.27Å; L2536-C2540 PolarHBondContact O-SG 3.24Å; L2536-C2540 VanDerWaalsContact O-SG 3.4Å; L2536-F2559 HydrophobicContact CD1-CE2 3.99Å; L2536-F2559 HydrophobicContact CD1-CZ 4.2Å; L2536-F2562 HydrophobicContact CB-CZ 3.96Å; L2536-I2642 HydrophobicContact CD1-CD1 3.9Å; L2536-I2642 HydrophobicContact CD1-CG1 4.3Å |
| 2537 | R | 41 | Very low | 37.3 | Very low | 111 Ų | 111 | 72.9 Ų | 72.9 | 42% | 0.419 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.2 | -47.4 | 170.9 | 179.3 | -168.5 | 160.9 | -153.8 | 0.6 | 111 | H2492 Q2516 I2533 G2534 Y2539 C2540 L2541 F2614 T2689 | H2492-R2537 PolarHBondContact NE2-NH2 3.44Å; Q2516-R2537 HydrophobicContact CG-CG 4.14Å; I2533-R2537 WeakPolarHBondContact O-CB 3.32Å; I2533-R2537 PolarHBondContact O-N 3.13Å; I2533-R2537 VanDerWaalsContact O-N 3.16Å; G2534-R2537 CarbonylContact O-C 3.6Å; G2534-R2537 WeakPolarHBondContact O-CB 3.28Å; G2534-R2537 PolarHBondContact O-N 3.12Å; G2534-R2537 VanDerWaalsContact O-N 3.11Å; R2537-Y2539 VanDerWaalsContact C-N 3.28Å; R2537-Y2539 PolarHBondContact O-N 3.05Å; R2537-C2540 CarbonylContact O-C 3.59Å; R2537-C2540 WeakPolarHBondContact O-CA 3.23Å; R2537-C2540 WeakPolarHBondContact O-CB 3.28Å; R2537-C2540 PolarHBondContact O-N 3.16Å; R2537-C2540 VanDerWaalsContact O-N 3.09Å; R2537-L2541 HydrophobicContact CG-CD1 3.98Å; R2537-L2541 HydrophobicContact CG-CG 4.18Å; R2537-L2541 WeakPolarHBondContact O-CB 3.41Å; R2537-L2541 VanDerWaalsContact O-CG 3.3Å; R2537-L2541 WeakPolarHBondContact O-CG 3.34Å; R2537-L2541 PolarHBondContact O-N 3.05Å; R2537-F2614 HydrophobicContact CB-CE2 3.67Å; R2537-F2614 HydrophobicContact CB-CZ 3.94Å; R2537-F2614 HydrophobicContact CG-CD2 4.34Å; R2537-F2614 HydrophobicContact CG-CE2 3.9Å; R2537-F2614 HydrophobicContact CG-CZ 4.12Å; R2537-T2689 PolarHBondContact NH1-OG1 2.65Å; R2537-T2689 PolarHBondContact NH2-OG1 3.18Å |
| 2538 | D | 42.1 | Very low | 37 | Very low | 82.2 Ų | 82.2 | 71.2 Ų | 71.2 | 44% | 0.44 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.3 | -33.2 | 180 | -65.6 | -17.6 | 0 | 0 | 0 | 111.5 | G2534 S2535 L2536 C2540 L2541 S2542 | G2534-D2538 WeakPolarHBondContact O-CB 3.43Å; G2534-D2538 VanDerWaalsContact O-CG 3.25Å; G2534-D2538 PolarHBondContact O-N 3.12Å; S2535-D2538 PolarHBondContact O-N 3.28Å; L2536-D2538 VanDerWaalsContact C-N 3.3Å; L2536-D2538 PolarHBondContact O-N 2.89Å; D2538-C2540 VanDerWaalsContact C-N 3.32Å; D2538-C2540 PolarHBondContact O-N 3.27Å; D2538-L2541 CarbonylContact O-C 3.53Å; D2538-L2541 PolarHBondContact O-N 3.18Å; D2538-S2542 WeakPolarHBondContact O-CB 3.34Å; D2538-S2542 PolarHBondContact O-N 3.11Å; D2538-S2542 PolarHBondContact O-OG 3.29Å |
| 2539 | Y | 40.5 | Very low | 36.5 | Very low | 45.6 Ų | 45.6 | 73.5 Ų | 73.5 | 18% | 0.179 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 169.6 | 178.8 | -102.5 | 0 | 0 | 0 | 111.9 | L2512 S2535 L2536 R2537 L2541 S2542 F2543 L2552 Q2555 I2556 F2559 L2645 | L2512-Y2539 HydrophobicContact CD1-CE2 4.5Å; L2512-Y2539 HydrophobicContact CG-CE2 4.05Å; S2535-Y2539 WeakPolarHBondContact O-CA 3.44Å; S2535-Y2539 VanDerWaalsContact O-CB 3.29Å; S2535-Y2539 WeakPolarHBondContact O-CB 3.31Å; S2535-Y2539 PolarHBondContact O-N 3.07Å; L2536-Y2539 HydrophobicContact CD1-CD1 4.44Å; L2536-Y2539 CarbonylContact O-C 3.53Å; L2536-Y2539 WeakPolarHBondContact O-CB 3.36Å; L2536-Y2539 PolarHBondContact O-N 2.91Å; L2536-Y2539 VanDerWaalsContact O-N 3.13Å; R2537-Y2539 VanDerWaalsContact C-N 3.28Å; R2537-Y2539 PolarHBondContact O-N 3.05Å; Y2539-L2541 VanDerWaalsContact C-N 3.33Å; Y2539-L2541 PolarHBondContact O-N 3.18Å; Y2539-S2542 WeakPolarHBondContact CA-OG 3.38Å; Y2539-S2542 CarbonylContact O-C 3.48Å; Y2539-S2542 WeakPolarHBondContact O-CB 3.31Å; Y2539-S2542 PolarHBondContact O-N 3.03Å; Y2539-S2542 PolarHBondContact O-OG 3Å; Y2539-F2543 HydrophobicContact CD1-CD2 4.46Å; Y2539-F2543 HydrophobicContact CD1-CE2 4.35Å; Y2539-F2543 HydrophobicContact CE1-CD2 4.01Å; Y2539-F2543 AromaticContact CE1-CE2 3.69Å; Y2539-F2543 HydrophobicContact CE1-CE2 3.69Å; Y2539-F2543 VanDerWaalsContact CE1-CE2 3.49Å; Y2539-F2543 HydrophobicContact CE1-CZ 4.42Å; Y2539-F2543 HydrophobicContact CE2-CD2 4.43Å; Y2539-F2543 HydrophobicContact CE2-CE2 4.11Å; Y2539-F2543 AromaticContact CZ-CD2 3.98Å; Y2539-F2543 AromaticContact CZ-CE2 3.56Å; Y2539-F2543 AromaticContact CZ-CZ 3.86Å; Y2539-F2543 WeakPolarHBondContact O-CB 3.41Å; Y2539-F2543 PolarHBondContact O-N 3.2Å; Y2539-F2543 VanDerWaalsContact O-N 3.12Å; Y2539-F2543 WeakPolarHBondContact OH-CE2 3.31Å; Y2539-F2543 VanDerWaalsContact OH-CZ 3.28Å; Y2539-F2543 WeakPolarHBondContact OH-CZ 3.22Å; Y2539-L2552 HydrophobicContact CE2-CD2 3.94Å; Y2539-Q2555 HydrophobicContact CE2-CB 4.42Å; Y2539-I2556 HydrophobicContact CE2-CG1 3.99Å; Y2539-F2559 AromaticContact CD1-CD2 3.8Å; Y2539-F2559 HydrophobicContact CD1-CD2 3.8Å; Y2539-F2559 AromaticContact CD1-CE2 3.44Å; Y2539-F2559 HydrophobicContact CD1-CE2 3.44Å; Y2539-F2559 VanDerWaalsContact CD1-CE2 3.44Å; Y2539-F2559 HydrophobicContact CD1-CG 4.49Å; Y2539-F2559 AromaticContact CD1-CZ 3.89Å; Y2539-F2559 HydrophobicContact CD1-CZ 3.89Å; Y2539-F2559 HydrophobicContact CD2-CB 3.88Å; Y2539-F2559 HydrophobicContact CD2-CD1 4.5Å; Y2539-F2559 AromaticContact CD2-CD2 3.38Å; Y2539-F2559 HydrophobicContact CD2-CD2 3.38Å; Y2539-F2559 AromaticContact CD2-CE2 3.96Å; Y2539-F2559 HydrophobicContact CD2-CE2 3.96Å; Y2539-F2559 AromaticContact CD2-CG 3.68Å; Y2539-F2559 HydrophobicContact CD2-CG 3.68Å; Y2539-F2559 HydrophobicContact CE1-CD2 4.3Å; Y2539-F2559 HydrophobicContact CE1-CE1 4.35Å; Y2539-F2559 AromaticContact CE1-CE2 3.99Å; Y2539-F2559 HydrophobicContact CE1-CE2 3.99Å; Y2539-F2559 HydrophobicContact CE1-CZ 4.01Å; Y2539-F2559 HydrophobicContact CE2-CB 4Å; Y2539-F2559 HydrophobicContact CE2-CD1 4.25Å; Y2539-F2559 AromaticContact CE2-CD2 3.94Å; Y2539-F2559 HydrophobicContact CE2-CD2 3.94Å; Y2539-F2559 HydrophobicContact CE2-CE2 4.45Å; Y2539-F2559 AromaticContact CE2-CG 3.8Å; Y2539-F2559 HydrophobicContact CE2-CG 3.8Å; Y2539-F2559 AromaticContact CG-CD2 3.29Å; Y2539-F2559 HydrophobicContact CG-CD2 3.29Å; Y2539-F2559 AromaticContact CG-CE2 3.41Å; Y2539-F2559 HydrophobicContact CG-CE2 3.41Å; Y2539-F2559 VanDerWaalsContact CG-CE2 3.41Å; Y2539-F2559 HydrophobicContact CG-CG 4.03Å; Y2539-F2559 HydrophobicContact CG-CZ 4.26Å; Y2539-L2645 HydrophobicContact CD1-CB 4.41Å; Y2539-L2645 HydrophobicContact CD2-CB 4.29Å; Y2539-L2645 WeakPolarHBondContact CD2-O 3.42Å; Y2539-L2645 HydrophobicContact CE1-CB 3.99Å; Y2539-L2645 HydrophobicContact CE1-CD1 4.45Å; Y2539-L2645 HydrophobicContact CE1-CD2 4.37Å; Y2539-L2645 HydrophobicContact CE1-CG 4.49Å; Y2539-L2645 HydrophobicContact CE2-CB 3.88Å; Y2539-L2645 WeakPolarHBondContact CE2-O 3.48Å; Y2539-L2645 WeakPolarHBondContact OH-CD2 3.27Å |
| 2540 | C | 40.3 | Very low | 36 | Very low | 29.6 Ų | 29.6 | 76 Ų | 76 | 20% | 0.2 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.7 | -36.5 | 174.6 | -67.5 | 0 | 0 | 0 | 0 | 112.7 | Q2516 I2519 L2536 R2537 D2538 S2542 F2543 Q2544 Y2610 | Q2516-C2540 HydrophobicContact CB-CB 4.09Å; Q2516-C2540 WeakPolarHBondContact CB-SG 3.12Å; Q2516-C2540 VanDerWaalsContact CD-CB 3.48Å; Q2516-C2540 HydrophobicContact CG-CB 4.15Å; Q2516-C2540 WeakPolarHBondContact CG-SG 3.25Å; Q2516-C2540 PolarHBondContact NE2-O 2.81Å; I2519-C2540 HydrophobicContact CD1-CB 3.69Å; L2536-C2540 WeakPolarHBondContact O-CB 3.37Å; L2536-C2540 PolarHBondContact O-N 3.27Å; L2536-C2540 PolarHBondContact O-SG 3.24Å; L2536-C2540 VanDerWaalsContact O-SG 3.4Å; R2537-C2540 CarbonylContact O-C 3.59Å; R2537-C2540 WeakPolarHBondContact O-CA 3.23Å; R2537-C2540 WeakPolarHBondContact O-CB 3.28Å; R2537-C2540 PolarHBondContact O-N 3.16Å; R2537-C2540 VanDerWaalsContact O-N 3.09Å; D2538-C2540 VanDerWaalsContact C-N 3.32Å; D2538-C2540 PolarHBondContact O-N 3.27Å; C2540-S2542 VanDerWaalsContact C-N 3.33Å; C2540-S2542 PolarHBondContact O-N 3.1Å; C2540-F2543 PolarHBondContact O-N 2.82Å; C2540-Q2544 WeakPolarHBondContact O-CG 3.4Å; C2540-Q2544 PolarHBondContact O-N 3.36Å; C2540-Y2610 HydrophobicContact CB-CE1 4.29Å; C2540-Y2610 WeakPolarHBondContact CB-OH 3.49Å; C2540-Y2610 PolarHBondContact SG-OH 3.31Å |
| 2541 | L | 37.9 | Very low | 35.6 | Very low | 47.6 Ų | 47.6 | 76.7 Ų | 76.7 | 25% | 0.249 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -71.7 | -38.1 | 174.3 | -71.1 | 169.3 | 0 | 0 | 0 | 112 | L2496 L2512 R2537 D2538 Y2539 F2543 Q2544 Y2545 T2607 | L2496-L2541 HydrophobicContact CD1-CD2 4.2Å; L2512-L2541 HydrophobicContact CD1-CD2 3.4Å; L2512-L2541 VanDerWaalsContact CD1-CD2 3.4Å; L2512-L2541 HydrophobicContact CD2-CD2 4.23Å; L2512-L2541 HydrophobicContact CG-CD2 4.09Å; R2537-L2541 HydrophobicContact CG-CD1 3.98Å; R2537-L2541 HydrophobicContact CG-CG 4.18Å; R2537-L2541 WeakPolarHBondContact O-CB 3.41Å; R2537-L2541 VanDerWaalsContact O-CG 3.3Å; R2537-L2541 WeakPolarHBondContact O-CG 3.34Å; R2537-L2541 PolarHBondContact O-N 3.05Å; D2538-L2541 CarbonylContact O-C 3.53Å; D2538-L2541 PolarHBondContact O-N 3.18Å; Y2539-L2541 VanDerWaalsContact C-N 3.33Å; Y2539-L2541 PolarHBondContact O-N 3.18Å; L2541-F2543 VanDerWaalsContact C-N 3.31Å; L2541-F2543 PolarHBondContact O-N 3.14Å; L2541-Q2544 VanDerWaalsContact O-CB 3.26Å; L2541-Q2544 WeakPolarHBondContact O-CB 3.34Å; L2541-Q2544 PolarHBondContact O-N 2.98Å; L2541-Y2545 HydrophobicContact CB-CD2 4.39Å; L2541-Y2545 HydrophobicContact CB-CE2 4.47Å; L2541-Y2545 HydrophobicContact CD2-CE2 3.93Å; L2541-Y2545 WeakPolarHBondContact O-CB 3.41Å; L2541-Y2545 WeakPolarHBondContact O-CD2 3.31Å; L2541-Y2545 PolarHBondContact O-N 2.97Å; L2541-T2607 HydrophobicContact CD2-CG2 4Å |
| 2542 | S | 36.8 | Very low | 35.3 | Very low | 42.6 Ų | 42.6 | 77.5 Ų | 77.5 | 30% | 0.298 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.8 | -32.2 | 179.4 | 49.6 | 0 | 0 | 0 | 0 | 112.5 | D2538 Y2539 C2540 Q2544 Y2545 S2546 Q2555 | D2538-S2542 WeakPolarHBondContact O-CB 3.34Å; D2538-S2542 PolarHBondContact O-N 3.11Å; D2538-S2542 PolarHBondContact O-OG 3.29Å; Y2539-S2542 WeakPolarHBondContact CA-OG 3.38Å; Y2539-S2542 CarbonylContact O-C 3.48Å; Y2539-S2542 WeakPolarHBondContact O-CB 3.31Å; Y2539-S2542 PolarHBondContact O-N 3.03Å; Y2539-S2542 PolarHBondContact O-OG 3Å; C2540-S2542 VanDerWaalsContact C-N 3.33Å; C2540-S2542 PolarHBondContact O-N 3.1Å; S2542-Q2544 VanDerWaalsContact C-N 3.34Å; S2542-Q2544 PolarHBondContact O-N 3.21Å; S2542-Y2545 WeakPolarHBondContact O-CB 3.23Å; S2542-Y2545 PolarHBondContact O-N 3.18Å; S2542-S2546 WeakPolarHBondContact O-CA 3.42Å; S2542-S2546 WeakPolarHBondContact O-CB 3.4Å; S2542-S2546 PolarHBondContact O-N 3.21Å; S2542-S2546 PolarHBondContact O-OG 3.28Å; S2542-Q2555 VanDerWaalsContact OG-CD 3.25Å; S2542-Q2555 PolarHBondContact OG-NE2 2.74Å; S2542-Q2555 PolarHBondContact OG-OE1 3.42Å |
| 2543 | F | 36.3 | Very low | 34.6 | Very low | 68.8 Ų | 68.8 | 78.2 Ų | 78.2 | 30% | 0.302 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -23.3 | 172.4 | -109.5 | -76.5 | 0 | 0 | 0 | 113.7 | L2512 Y2539 C2540 L2541 Y2545 S2546 L2552 I2556 I2646 | L2512-F2543 HydrophobicContact CD1-CD1 4.23Å; L2512-F2543 HydrophobicContact CD1-CE1 4.13Å; L2512-F2543 HydrophobicContact CD1-CE2 3.92Å; L2512-F2543 HydrophobicContact CD1-CZ 4.25Å; L2512-F2543 HydrophobicContact CD2-CB 3.55Å; L2512-F2543 HydrophobicContact CD2-CD1 3.51Å; L2512-F2543 HydrophobicContact CD2-CD2 4.4Å; L2512-F2543 HydrophobicContact CD2-CE1 4.24Å; L2512-F2543 HydrophobicContact CD2-CG 3.59Å; Y2539-F2543 HydrophobicContact CD1-CD2 4.46Å; Y2539-F2543 HydrophobicContact CD1-CE2 4.35Å; Y2539-F2543 HydrophobicContact CE1-CD2 4.01Å; Y2539-F2543 AromaticContact CE1-CE2 3.69Å; Y2539-F2543 HydrophobicContact CE1-CE2 3.69Å; Y2539-F2543 VanDerWaalsContact CE1-CE2 3.49Å; Y2539-F2543 HydrophobicContact CE1-CZ 4.42Å; Y2539-F2543 HydrophobicContact CE2-CD2 4.43Å; Y2539-F2543 HydrophobicContact CE2-CE2 4.11Å; Y2539-F2543 AromaticContact CZ-CD2 3.98Å; Y2539-F2543 AromaticContact CZ-CE2 3.56Å; Y2539-F2543 AromaticContact CZ-CZ 3.86Å; Y2539-F2543 WeakPolarHBondContact O-CB 3.41Å; Y2539-F2543 PolarHBondContact O-N 3.2Å; Y2539-F2543 VanDerWaalsContact O-N 3.12Å; Y2539-F2543 WeakPolarHBondContact OH-CE2 3.31Å; Y2539-F2543 VanDerWaalsContact OH-CZ 3.28Å; Y2539-F2543 WeakPolarHBondContact OH-CZ 3.22Å; C2540-F2543 PolarHBondContact O-N 2.82Å; L2541-F2543 VanDerWaalsContact C-N 3.31Å; L2541-F2543 PolarHBondContact O-N 3.14Å; F2543-Y2545 VanDerWaalsContact C-N 3.3Å; F2543-Y2545 PolarHBondContact O-N 3.1Å; F2543-S2546 PolarHBondContact O-OG 2.82Å; F2543-L2552 HydrophobicContact CB-CD1 4.44Å; F2543-L2552 HydrophobicContact CD1-CD1 4.43Å; F2543-L2552 HydrophobicContact CD2-CD1 3.4Å; F2543-L2552 HydrophobicContact CD2-CD2 3.72Å; F2543-L2552 HydrophobicContact CD2-CG 4.09Å; F2543-L2552 HydrophobicContact CE1-CD1 4.47Å; F2543-L2552 HydrophobicContact CE1-CD2 4.05Å; F2543-L2552 HydrophobicContact CE2-CD1 3.44Å; F2543-L2552 VanDerWaalsContact CE2-CD1 3.44Å; F2543-L2552 HydrophobicContact CE2-CD2 4.13Å; F2543-L2552 HydrophobicContact CE2-CG 4.44Å; F2543-L2552 HydrophobicContact CG-CD1 3.88Å; F2543-L2552 HydrophobicContact CZ-CD1 3.98Å; F2543-L2552 HydrophobicContact CZ-CD2 3.95Å; F2543-I2556 HydrophobicContact CD1-CD1 3.68Å; F2543-I2556 HydrophobicContact CD2-CD1 4.01Å; F2543-I2556 HydrophobicContact CE1-CD1 3.67Å; F2543-I2556 HydrophobicContact CE2-CD1 3.96Å; F2543-I2556 HydrophobicContact CE2-CG1 4.39Å; F2543-I2556 HydrophobicContact CG-CD1 3.87Å; F2543-I2556 HydrophobicContact CZ-CD1 3.81Å; F2543-I2556 HydrophobicContact CZ-CG1 4.41Å; F2543-I2646 WeakPolarHBondContact CZ-O 3.4Å |
| 2544 | Q | 34.1 | Very low | 34 | Very low | 66.8 Ų | 66.8 | 82.7 Ų | 82.7 | 31% | 0.312 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -76.3 | -17.1 | 177.3 | -79 | -177.4 | -24.7 | 0 | 0 | 113.4 | Q2452 N2453 L2512 C2540 L2541 S2542 T2607 | Q2452-Q2544 PolarHBondContact O-NE2 3.45Å; N2453-Q2544 HydrophobicContact CB-CB 4.46Å; N2453-Q2544 PolarHBondContact O-NE2 3.37Å; L2512-Q2544 VanDerWaalsContact CD1-OE1 3.29Å; C2540-Q2544 WeakPolarHBondContact O-CG 3.4Å; C2540-Q2544 PolarHBondContact O-N 3.36Å; L2541-Q2544 VanDerWaalsContact O-CB 3.26Å; L2541-Q2544 WeakPolarHBondContact O-CB 3.34Å; L2541-Q2544 PolarHBondContact O-N 2.98Å; S2542-Q2544 VanDerWaalsContact C-N 3.34Å; S2542-Q2544 PolarHBondContact O-N 3.21Å; Q2544-T2607 PolarHBondContact OE1-OG1 2.93Å; Q2544-T2607 VanDerWaalsContact OE1-OG1 3.04Å |
| 2545 | Y | 32.5 | Very low | 33.7 | Very low | 167.6 Ų | 167.6 | 86.1 Ų | 86.1 | 66% | 0.657 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -100.8 | -14.6 | -174.9 | -80 | -81.8 | 0 | 0 | 0 | 115.1 | F2504 L2512 L2541 S2542 F2543 R2547 | F2504-Y2545 AromaticContact CE1-CE1 3.62Å; F2504-Y2545 HydrophobicContact CE1-CE1 3.62Å; F2504-Y2545 AromaticContact CE1-CZ 3.68Å; F2504-Y2545 WeakPolarHBondContact CE1-OH 3.14Å; F2504-Y2545 AromaticContact CZ-CE1 3.79Å; F2504-Y2545 HydrophobicContact CZ-CE1 3.79Å; F2504-Y2545 AromaticContact CZ-CZ 3.77Å; L2512-Y2545 HydrophobicContact CD1-CE2 4.1Å; L2512-Y2545 WeakPolarHBondContact CD1-OH 3.18Å; L2512-Y2545 VanDerWaalsContact CD2-OH 3.31Å; L2512-Y2545 WeakPolarHBondContact CD2-OH 3.36Å; L2541-Y2545 HydrophobicContact CB-CD2 4.39Å; L2541-Y2545 HydrophobicContact CB-CE2 4.47Å; L2541-Y2545 HydrophobicContact CD2-CE2 3.93Å; L2541-Y2545 WeakPolarHBondContact O-CB 3.41Å; L2541-Y2545 WeakPolarHBondContact O-CD2 3.31Å; L2541-Y2545 PolarHBondContact O-N 2.97Å; S2542-Y2545 WeakPolarHBondContact O-CB 3.23Å; S2542-Y2545 PolarHBondContact O-N 3.18Å; F2543-Y2545 VanDerWaalsContact C-N 3.3Å; F2543-Y2545 PolarHBondContact O-N 3.1Å; Y2545-R2547 VanDerWaalsContact C-N 3.29Å; Y2545-R2547 PolarHBondContact O-N 3.05Å; Y2545-R2547 VanDerWaalsContact O-N 3.17Å |
| 2546 | S | 28.4 | Very low | 33.2 | Very low | 57 Ų | 57 | 87.1 Ų | 87.1 | 40% | 0.399 | 43% | 0.426 | S | S | . | . | trans | -84.1 | 83.7 | 177.5 | 56.6 | 0 | 0 | 0 | 0 | 112.1 | S2542 F2543 N2548 L2552 | S2542-S2546 WeakPolarHBondContact O-CA 3.42Å; S2542-S2546 WeakPolarHBondContact O-CB 3.4Å; S2542-S2546 PolarHBondContact O-N 3.21Å; S2542-S2546 PolarHBondContact O-OG 3.28Å; F2543-S2546 PolarHBondContact O-OG 2.82Å; S2546-N2548 PolarHBondContact O-N 3.08Å; S2546-N2548 VanDerWaalsContact O-N 3.09Å; S2546-L2552 VanDerWaalsContact OG-CD1 3.31Å; S2546-L2552 WeakPolarHBondContact OG-CD1 3.24Å; S2546-L2552 WeakPolarHBondContact OG-CG 3.39Å | ||
| 2547 | R | 28.1 | Very low | 32.6 | Very low | 216.8 Ų | 216.8 | 90.8 Ų | 90.8 | 82% | 0.818 | 45% | 0.445 | S | S | * | . | trans | -79.7 | 13.9 | 173 | -84.7 | -176.4 | 178.4 | -174.3 | -0.8 | 113.9 | Y2545 | Y2545-R2547 VanDerWaalsContact C-N 3.29Å; Y2545-R2547 PolarHBondContact O-N 3.05Å; Y2545-R2547 VanDerWaalsContact O-N 3.17Å | ||
| 2548 | N | 27.8 | Very low | 32.3 | Very low | 105.6 Ų | 105.6 | 88.7 Ų | 88.7 | 57% | 0.565 | 45% | 0.447 | S | S | * | . | trans | -151.1 | 106.6 | -172.4 | -99.9 | -6.3 | 0 | 0 | 0 | 112.4 | S2546 N2550 E2551 L2552 | S2546-N2548 PolarHBondContact O-N 3.08Å; S2546-N2548 VanDerWaalsContact O-N 3.09Å; N2548-N2550 PolarHBondContact O-N 3.32Å; N2548-N2550 VanDerWaalsContact O-N 3.09Å; N2548-E2551 HydrophobicContact CB-CB 4.36Å; N2548-E2551 HydrophobicContact CB-CG 4.44Å; N2548-E2551 WeakPolarHBondContact CB-OE2 3.26Å; N2548-E2551 VanDerWaalsContact ND2-CD 3.31Å; N2548-E2551 WeakPolarHBondContact ND2-CG 3.38Å; N2548-E2551 PolarHBondContact ND2-OE2 3.39Å; N2548-E2551 PolarHBondContact O-N 3.2Å; N2548-L2552 PolarHBondContact O-N 2.92Å | ||
| 2549 | V | 28.8 | Very low | 31.9 | Very low | 78.2 Ų | 78.2 | 87.9 Ų | 87.9 | 47% | 0.474 | 44% | 0.439 | S | S | . | . | trans | -163.7 | 69.5 | 162.2 | 177.5 | 0 | 0 | 0 | 0 | 112.1 | V2502 E2551 L2552 C2553 | V2502-V2549 WeakPolarHBondContact CB-O 3.44Å; V2502-V2549 WeakPolarHBondContact CG2-O 3.38Å; V2502-V2549 PolarHBondContact N-O 2.76Å; V2549-E2551 VanDerWaalsContact C-N 3.28Å; V2549-E2551 HydrophobicContact CG1-CB 4.05Å; V2549-E2551 HydrophobicContact CG1-CG 4.47Å; V2549-E2551 PolarHBondContact O-N 3.15Å; V2549-L2552 HydrophobicContact CB-CD1 4.31Å; V2549-L2552 HydrophobicContact CG1-CB 4.42Å; V2549-L2552 HydrophobicContact CG1-CD1 3.75Å; V2549-L2552 CarbonylContact O-C 3.6Å; V2549-L2552 WeakPolarHBondContact O-CB 3.27Å; V2549-L2552 PolarHBondContact O-N 3.18Å; V2549-C2553 PolarHBondContact O-N 3.26Å; V2549-C2553 PolarHBondContact O-SG 3.12Å | ||
| 2550 | N | 28 | Very low | 31.5 | Very low | 101.6 Ų | 101.6 | 87.7 Ų | 87.7 | 54% | 0.543 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.6 | -18.8 | -178.1 | -67.2 | -12.8 | 0 | 0 | 0 | 114.9 | Y2061 A2501 V2502 N2548 L2552 C2553 E2554 S2810 | Y2061-N2550 HydrophobicContact CE1-CB 4.29Å; Y2061-N2550 PolarHBondContact OH-ND2 3.49Å; A2501-N2550 VanDerWaalsContact CA-O 3.26Å; A2501-N2550 WeakPolarHBondContact CA-O 3.44Å; A2501-N2550 WeakPolarHBondContact CB-O 3.43Å; V2502-N2550 PolarHBondContact N-O 3.25Å; V2502-N2550 CarbonylContact O-C 3.24Å; V2502-N2550 VanDerWaalsContact O-CA 3.23Å; V2502-N2550 WeakPolarHBondContact O-CA 3.21Å; N2548-N2550 PolarHBondContact O-N 3.32Å; N2548-N2550 VanDerWaalsContact O-N 3.09Å; N2550-L2552 VanDerWaalsContact C-N 3.3Å; N2550-L2552 PolarHBondContact O-N 3.26Å; N2550-C2553 PolarHBondContact O-N 3.15Å; N2550-E2554 PolarHBondContact O-N 2.89Å; N2550-S2810 WeakPolarHBondContact ND2-CB 3.4Å; N2550-S2810 PolarHBondContact ND2-OG 3.5Å |
| 2551 | E | 29.1 | Very low | 31 | Very low | 118.4 Ų | 118.4 | 90.4 Ų | 90.4 | 55% | 0.553 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -72.6 | -11.2 | 170.4 | -85.2 | 177.8 | 152.2 | 0 | 0 | 115.1 | R1941 A2501 V2502 N2548 V2549 C2553 E2554 Q2555 K2858 | R1941-E2551 IonicContact CZ-OE1 2.65Å; R1941-E2551 VanDerWaalsContact CZ-OE1 3.3Å; R1941-E2551 IonicContact NH1-OE1 3.1Å; R1941-E2551 PolarHBondContact NH1-OE1 3.07Å; R1941-E2551 IonicContact NH1-OE2 2.7Å; R1941-E2551 PolarHBondContact NH1-OE2 3.02Å; R1941-E2551 IonicContact NH2-OE1 3.1Å; R1941-E2551 PolarHBondContact NH2-OE1 3.28Å; R1941-E2551 IonicContact NH2-OE2 2.73Å; A2501-E2551 WeakPolarHBondContact CB-O 3.33Å; V2502-E2551 PolarHBondContact O-N 3.46Å; N2548-E2551 HydrophobicContact CB-CB 4.36Å; N2548-E2551 HydrophobicContact CB-CG 4.44Å; N2548-E2551 WeakPolarHBondContact CB-OE2 3.26Å; N2548-E2551 VanDerWaalsContact ND2-CD 3.31Å; N2548-E2551 WeakPolarHBondContact ND2-CG 3.38Å; N2548-E2551 PolarHBondContact ND2-OE2 3.39Å; N2548-E2551 PolarHBondContact O-N 3.2Å; V2549-E2551 VanDerWaalsContact C-N 3.28Å; V2549-E2551 HydrophobicContact CG1-CB 4.05Å; V2549-E2551 HydrophobicContact CG1-CG 4.47Å; V2549-E2551 PolarHBondContact O-N 3.15Å; E2551-C2553 VanDerWaalsContact C-N 3.35Å; E2551-C2553 PolarHBondContact O-N 2.62Å; E2551-E2554 PolarHBondContact O-N 2.89Å; E2551-Q2555 VanDerWaalsContact O-CG 3.31Å; E2551-Q2555 WeakPolarHBondContact O-CG 3.09Å; E2551-Q2555 PolarHBondContact O-N 3.37Å; E2551-Q2555 PolarHBondContact O-OE1 2.81Å; E2551-Q2555 VanDerWaalsContact O-OE1 3.06Å; E2551-K2858 IonicContact OE1-NZ 2.65Å; E2551-K2858 PolarHBondContact OE1-NZ 2.65Å; E2551-K2858 IonicContact OE2-NZ 3.65Å |
| 2552 | L | 28.4 | Very low | 30.9 | Very low | 62.2 Ų | 62.2 | 90.2 Ų | 90.2 | 33% | 0.326 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -89.5 | -32.5 | 172.9 | -108.8 | 136.7 | 0 | 0 | 0 | 113.6 | A2501 Y2539 F2543 S2546 N2548 V2549 N2550 E2554 Q2555 I2556 I2646 | A2501-L2552 HydrophobicContact CB-CB 3.85Å; A2501-L2552 HydrophobicContact CB-CD1 4.34Å; A2501-L2552 HydrophobicContact CB-CG 4.46Å; A2501-L2552 PolarHBondContact O-N 3.42Å; Y2539-L2552 HydrophobicContact CE2-CD2 3.94Å; F2543-L2552 HydrophobicContact CB-CD1 4.44Å; F2543-L2552 HydrophobicContact CD1-CD1 4.43Å; F2543-L2552 HydrophobicContact CD2-CD1 3.4Å; F2543-L2552 HydrophobicContact CD2-CD2 3.72Å; F2543-L2552 HydrophobicContact CD2-CG 4.09Å; F2543-L2552 HydrophobicContact CE1-CD1 4.47Å; F2543-L2552 HydrophobicContact CE1-CD2 4.05Å; F2543-L2552 HydrophobicContact CE2-CD1 3.44Å; F2543-L2552 VanDerWaalsContact CE2-CD1 3.44Å; F2543-L2552 HydrophobicContact CE2-CD2 4.13Å; F2543-L2552 HydrophobicContact CE2-CG 4.44Å; F2543-L2552 HydrophobicContact CG-CD1 3.88Å; F2543-L2552 HydrophobicContact CZ-CD1 3.98Å; F2543-L2552 HydrophobicContact CZ-CD2 3.95Å; S2546-L2552 VanDerWaalsContact OG-CD1 3.31Å; S2546-L2552 WeakPolarHBondContact OG-CD1 3.24Å; S2546-L2552 WeakPolarHBondContact OG-CG 3.39Å; N2548-L2552 PolarHBondContact O-N 2.92Å; V2549-L2552 HydrophobicContact CB-CD1 4.31Å; V2549-L2552 HydrophobicContact CG1-CB 4.42Å; V2549-L2552 HydrophobicContact CG1-CD1 3.75Å; V2549-L2552 CarbonylContact O-C 3.6Å; V2549-L2552 WeakPolarHBondContact O-CB 3.27Å; V2549-L2552 PolarHBondContact O-N 3.18Å; N2550-L2552 VanDerWaalsContact C-N 3.3Å; N2550-L2552 PolarHBondContact O-N 3.26Å; L2552-E2554 PolarHBondContact O-N 3.22Å; L2552-E2554 VanDerWaalsContact O-N 3.12Å; L2552-Q2555 CarbonylContact O-C 3.49Å; L2552-Q2555 WeakPolarHBondContact O-CA 3.48Å; L2552-Q2555 PolarHBondContact O-N 2.85Å; L2552-I2556 HydrophobicContact CD2-CD1 4.19Å; L2552-I2556 HydrophobicContact CD2-CG1 4.21Å; L2552-I2556 VanDerWaalsContact O-CG1 3.31Å; L2552-I2556 WeakPolarHBondContact O-CG1 3.41Å; L2552-I2556 PolarHBondContact O-N 3.18Å; L2552-I2646 HydrophobicContact CD2-CG2 4.5Å |
| 2553 | C | 26.8 | Very low | 30.7 | Very low | 82 Ų | 82 | 90.3 Ų | 90.3 | 55% | 0.554 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -73.9 | -33.6 | -177.7 | -87.3 | 0 | 0 | 0 | 0 | 113.6 | V2549 N2550 E2551 Q2555 I2556 L2557 | V2549-C2553 PolarHBondContact O-N 3.26Å; V2549-C2553 PolarHBondContact O-SG 3.12Å; N2550-C2553 PolarHBondContact O-N 3.15Å; E2551-C2553 VanDerWaalsContact C-N 3.35Å; E2551-C2553 PolarHBondContact O-N 2.62Å; C2553-Q2555 PolarHBondContact O-N 2.97Å; C2553-I2556 PolarHBondContact O-N 3.25Å; C2553-L2557 PolarHBondContact O-N 3.07Å |
| 2554 | E | 27.9 | Very low | 30.5 | Very low | 139.8 Ų | 139.8 | 89.1 Ų | 89.1 | 65% | 0.653 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -71.8 | -10 | 175.7 | -65.9 | -168 | 166.5 | 0 | 0 | 114.3 | R1845 N2062 N2550 E2551 L2552 P2558 | R1845-E2554 IonicContact NH1-OE1 3.92Å; R1845-E2554 PolarHBondContact NH1-OE1 3.27Å; N2062-E2554 PolarHBondContact ND2-OE1 3.33Å; N2062-E2554 PolarHBondContact ND2-OE2 2.72Å; N2062-E2554 VanDerWaalsContact ND2-OE2 3.11Å; N2550-E2554 PolarHBondContact O-N 2.89Å; E2551-E2554 PolarHBondContact O-N 2.89Å; L2552-E2554 PolarHBondContact O-N 3.22Å; L2552-E2554 VanDerWaalsContact O-N 3.12Å; E2554-P2558 WeakPolarHBondContact O-CD 3.28Å |
| 2555 | Q | 30.8 | Very low | 30.3 | Very low | 102.8 Ų | 102.8 | 89.8 Ų | 89.8 | 48% | 0.48 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -88.4 | -3 | 173.6 | -64.9 | 179.3 | 1.2 | 0 | 0 | 115.1 | L2496 Y2539 S2542 E2551 L2552 C2553 L2557 P2558 F2559 T2607 | L2496-Q2555 HydrophobicContact CD1-CB 3.97Å; L2496-Q2555 HydrophobicContact CD2-CB 4.21Å; Y2539-Q2555 HydrophobicContact CE2-CB 4.42Å; S2542-Q2555 VanDerWaalsContact OG-CD 3.25Å; S2542-Q2555 PolarHBondContact OG-NE2 2.74Å; S2542-Q2555 PolarHBondContact OG-OE1 3.42Å; E2551-Q2555 VanDerWaalsContact O-CG 3.31Å; E2551-Q2555 WeakPolarHBondContact O-CG 3.09Å; E2551-Q2555 PolarHBondContact O-N 3.37Å; E2551-Q2555 PolarHBondContact O-OE1 2.81Å; E2551-Q2555 VanDerWaalsContact O-OE1 3.06Å; L2552-Q2555 CarbonylContact O-C 3.49Å; L2552-Q2555 WeakPolarHBondContact O-CA 3.48Å; L2552-Q2555 PolarHBondContact O-N 2.85Å; C2553-Q2555 PolarHBondContact O-N 2.97Å; Q2555-L2557 VanDerWaalsContact C-N 3.3Å; Q2555-P2558 VanDerWaalsContact O-CB 3.31Å; Q2555-P2558 WeakPolarHBondContact O-CB 3.41Å; Q2555-P2558 WeakPolarHBondContact O-CD 3.2Å; Q2555-F2559 PolarHBondContact O-N 2.68Å; Q2555-T2607 VanDerWaalsContact OE1-CG2 3.26Å |
| 2556 | I | 29.4 | Very low | 30.2 | Very low | 74 Ų | 74 | 84.3 Ų | 84.3 | 38% | 0.379 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -91 | 9 | 168.2 | -65.2 | 173.2 | 0 | 0 | 0 | 110.4 | Y2539 F2543 L2552 C2553 F2559 A2560 I2646 | Y2539-I2556 HydrophobicContact CE2-CG1 3.99Å; F2543-I2556 HydrophobicContact CD1-CD1 3.68Å; F2543-I2556 HydrophobicContact CD2-CD1 4.01Å; F2543-I2556 HydrophobicContact CE1-CD1 3.67Å; F2543-I2556 HydrophobicContact CE2-CD1 3.96Å; F2543-I2556 HydrophobicContact CE2-CG1 4.39Å; F2543-I2556 HydrophobicContact CG-CD1 3.87Å; F2543-I2556 HydrophobicContact CZ-CD1 3.81Å; F2543-I2556 HydrophobicContact CZ-CG1 4.41Å; L2552-I2556 HydrophobicContact CD2-CD1 4.19Å; L2552-I2556 HydrophobicContact CD2-CG1 4.21Å; L2552-I2556 VanDerWaalsContact O-CG1 3.31Å; L2552-I2556 WeakPolarHBondContact O-CG1 3.41Å; L2552-I2556 PolarHBondContact O-N 3.18Å; C2553-I2556 PolarHBondContact O-N 3.25Å; I2556-F2559 CarbonylContact O-C 3.58Å; I2556-F2559 PolarHBondContact O-N 3.42Å; I2556-F2559 VanDerWaalsContact O-N 3.12Å; I2556-A2560 VanDerWaalsContact O-CB 3.3Å; I2556-A2560 WeakPolarHBondContact O-CB 3.15Å; I2556-A2560 PolarHBondContact O-N 3.17Å; I2556-I2646 HydrophobicContact CD1-CG2 3.49Å; I2556-I2646 VanDerWaalsContact CD1-CG2 3.49Å; I2556-I2646 HydrophobicContact CG1-CD1 4.31Å; I2556-I2646 HydrophobicContact CG1-CG2 3.59Å; I2556-I2646 HydrophobicContact CG2-CD1 3.86Å |
| 2557 | L | 30.2 | Very low | 30.3 | Very low | 105.8 Ų | 105.8 | 84.5 Ų | 84.5 | 55% | 0.554 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -58.1 | -47.7 | 176.4 | -133.5 | 80 | 0 | 0 | 0 | 111.3 | Y2118 H2492 C2553 Q2555 F2559 A2560 N2561 | Y2118-L2557 PolarHBondContact OH-O 3.19Å; H2492-L2557 HydrophobicContact CB-CD2 3.96Å; C2553-L2557 PolarHBondContact O-N 3.07Å; Q2555-L2557 VanDerWaalsContact C-N 3.3Å; L2557-F2559 VanDerWaalsContact C-N 3.32Å; L2557-F2559 PolarHBondContact O-N 3.17Å; L2557-A2560 WeakPolarHBondContact O-CB 3.49Å; L2557-A2560 PolarHBondContact O-N 3.37Å; L2557-N2561 HydrophobicContact CD2-CB 4.21Å; L2557-N2561 VanDerWaalsContact O-CB 3.28Å; L2557-N2561 WeakPolarHBondContact O-CB 3.12Å; L2557-N2561 PolarHBondContact O-N 3.33Å; L2557-N2561 VanDerWaalsContact O-N 3.13Å; L2557-N2561 PolarHBondContact O-ND2 2.94Å |
| 2558 | P | 34 | Very low | 30.3 | Very low | 68.4 Ų | 68.4 | 78.4 Ų | 78.4 | 44% | 0.444 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -70.5 | -44.7 | -175.3 | -6.1 | 14.4 | 0 | 0 | 0 | 113 | Y2118 E2554 Q2555 A2560 N2561 F2562 | Y2118-P2558 HydrophobicContact CE1-CB 4.12Å; Y2118-P2558 HydrophobicContact CE1-CG 4.24Å; Y2118-P2558 VanDerWaalsContact CZ-CA 3.47Å; Y2118-P2558 WeakPolarHBondContact OH-CA 3.21Å; Y2118-P2558 PolarHBondContact OH-O 3.18Å; Y2118-P2558 VanDerWaalsContact OH-O 3.1Å; E2554-P2558 WeakPolarHBondContact O-CD 3.28Å; Q2555-P2558 VanDerWaalsContact O-CB 3.31Å; Q2555-P2558 WeakPolarHBondContact O-CB 3.41Å; Q2555-P2558 WeakPolarHBondContact O-CD 3.2Å; P2558-A2560 VanDerWaalsContact C-N 3.32Å; P2558-A2560 HydrophobicContact CB-CB 4.4Å; P2558-A2560 HydrophobicContact CG-CB 4.33Å; P2558-A2560 PolarHBondContact O-N 3.29Å; P2558-N2561 VanDerWaalsContact CD-CB 3.44Å; P2558-N2561 HydrophobicContact CG-CB 4.26Å; P2558-F2562 VanDerWaalsContact O-CB 3.24Å; P2558-F2562 WeakPolarHBondContact O-CB 3.38Å; P2558-F2562 PolarHBondContact O-N 3.03Å |
| 2559 | F | 33.3 | Very low | 30.4 | Very low | 63.8 Ų | 63.8 | 78.1 Ų | 78.1 | 28% | 0.28 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69.8 | -27.5 | 172.7 | -160.8 | -101.4 | 0 | 0 | 0 | 112.8 | G2515 A2518 I2519 L2536 Y2539 Q2555 I2556 L2557 N2561 F2562 L2563 Y2610 F2614 | G2515-F2559 VanDerWaalsContact CA-CD1 3.4Å; G2515-F2559 VanDerWaalsContact CA-CD2 3.45Å; G2515-F2559 WeakPolarHBondContact O-CE2 3.49Å; G2515-F2559 WeakPolarHBondContact O-CZ 3.45Å; A2518-F2559 HydrophobicContact CB-CE1 3.9Å; A2518-F2559 HydrophobicContact CB-CZ 3.82Å; I2519-F2559 HydrophobicContact CD1-CE2 3.95Å; I2519-F2559 HydrophobicContact CG1-CE2 3.93Å; I2519-F2559 HydrophobicContact CG1-CZ 4.18Å; L2536-F2559 HydrophobicContact CD1-CE2 3.99Å; L2536-F2559 HydrophobicContact CD1-CZ 4.2Å; Y2539-F2559 AromaticContact CD1-CD2 3.8Å; Y2539-F2559 HydrophobicContact CD1-CD2 3.8Å; Y2539-F2559 AromaticContact CD1-CE2 3.44Å; Y2539-F2559 HydrophobicContact CD1-CE2 3.44Å; Y2539-F2559 VanDerWaalsContact CD1-CE2 3.44Å; Y2539-F2559 HydrophobicContact CD1-CG 4.49Å; Y2539-F2559 AromaticContact CD1-CZ 3.89Å; Y2539-F2559 HydrophobicContact CD1-CZ 3.89Å; Y2539-F2559 HydrophobicContact CD2-CB 3.88Å; Y2539-F2559 HydrophobicContact CD2-CD1 4.5Å; Y2539-F2559 AromaticContact CD2-CD2 3.38Å; Y2539-F2559 HydrophobicContact CD2-CD2 3.38Å; Y2539-F2559 AromaticContact CD2-CE2 3.96Å; Y2539-F2559 HydrophobicContact CD2-CE2 3.96Å; Y2539-F2559 AromaticContact CD2-CG 3.68Å; Y2539-F2559 HydrophobicContact CD2-CG 3.68Å; Y2539-F2559 HydrophobicContact CE1-CD2 4.3Å; Y2539-F2559 HydrophobicContact CE1-CE1 4.35Å; Y2539-F2559 AromaticContact CE1-CE2 3.99Å; Y2539-F2559 HydrophobicContact CE1-CE2 3.99Å; Y2539-F2559 HydrophobicContact CE1-CZ 4.01Å; Y2539-F2559 HydrophobicContact CE2-CB 4Å; Y2539-F2559 HydrophobicContact CE2-CD1 4.25Å; Y2539-F2559 AromaticContact CE2-CD2 3.94Å; Y2539-F2559 HydrophobicContact CE2-CD2 3.94Å; Y2539-F2559 HydrophobicContact CE2-CE2 4.45Å; Y2539-F2559 AromaticContact CE2-CG 3.8Å; Y2539-F2559 HydrophobicContact CE2-CG 3.8Å; Y2539-F2559 AromaticContact CG-CD2 3.29Å; Y2539-F2559 HydrophobicContact CG-CD2 3.29Å; Y2539-F2559 AromaticContact CG-CE2 3.41Å; Y2539-F2559 HydrophobicContact CG-CE2 3.41Å; Y2539-F2559 VanDerWaalsContact CG-CE2 3.41Å; Y2539-F2559 HydrophobicContact CG-CG 4.03Å; Y2539-F2559 HydrophobicContact CG-CZ 4.26Å; Q2555-F2559 PolarHBondContact O-N 2.68Å; I2556-F2559 CarbonylContact O-C 3.58Å; I2556-F2559 PolarHBondContact O-N 3.42Å; I2556-F2559 VanDerWaalsContact O-N 3.12Å; L2557-F2559 VanDerWaalsContact C-N 3.32Å; L2557-F2559 PolarHBondContact O-N 3.17Å; F2559-N2561 VanDerWaalsContact C-N 3.34Å; F2559-N2561 PolarHBondContact O-N 3.11Å; F2559-F2562 HydrophobicContact CD1-CD1 4.29Å; F2559-F2562 HydrophobicContact CD2-CB 3.95Å; F2559-F2562 AromaticContact CD2-CD1 3.58Å; F2559-F2562 HydrophobicContact CD2-CD1 3.92Å; F2559-F2562 AromaticContact CD2-CE1 3.72Å; F2559-F2562 HydrophobicContact CD2-CE1 3.72Å; F2559-F2562 HydrophobicContact CD2-CG 4.32Å; F2559-F2562 HydrophobicContact CE1-CD1 4.3Å; F2559-F2562 HydrophobicContact CE1-CE1 4.21Å; F2559-F2562 HydrophobicContact CE2-CB 4.33Å; F2559-F2562 AromaticContact CE2-CD1 3.63Å; F2559-F2562 HydrophobicContact CE2-CD1 3.76Å; F2559-F2562 AromaticContact CE2-CE1 3.22Å; F2559-F2562 HydrophobicContact CE2-CE1 4.02Å; F2559-F2562 HydrophobicContact CE2-CG 4.33Å; F2559-F2562 AromaticContact CE2-CZ 3.99Å; F2559-F2562 HydrophobicContact CE2-CZ 3.99Å; F2559-F2562 AromaticContact CG-CD1 3.97Å; F2559-F2562 HydrophobicContact CG-CD1 3.97Å; F2559-F2562 HydrophobicContact CG-CE1 4.42Å; F2559-F2562 AromaticContact CZ-CD1 3.98Å; F2559-F2562 HydrophobicContact CZ-CD1 3.98Å; F2559-F2562 AromaticContact CZ-CE1 3.52Å; F2559-F2562 HydrophobicContact CZ-CE1 3.52Å; F2559-F2562 WeakPolarHBondContact O-CB 3.26Å; F2559-F2562 PolarHBondContact O-N 3.34Å; F2559-F2562 VanDerWaalsContact O-N 3.15Å; F2559-L2563 HydrophobicContact CD1-CD1 3.92Å; F2559-L2563 HydrophobicContact CD1-CG 4.23Å; F2559-L2563 HydrophobicContact CE1-CD1 3.69Å; F2559-L2563 HydrophobicContact CE1-CD2 4.21Å; F2559-L2563 HydrophobicContact CE1-CG 4.01Å; F2559-L2563 VanDerWaalsContact CE1-CG 3.5Å; F2559-L2563 HydrophobicContact CE2-CG 4.39Å; F2559-L2563 HydrophobicContact CZ-CD1 4Å; F2559-L2563 HydrophobicContact CZ-CD2 3.9Å; F2559-L2563 HydrophobicContact CZ-CG 3.91Å; F2559-L2563 WeakPolarHBondContact O-CB 3.44Å; F2559-L2563 WeakPolarHBondContact O-CG 3.32Å; F2559-L2563 PolarHBondContact O-N 2.9Å; F2559-Y2610 WeakPolarHBondContact CB-OH 3.38Å; F2559-Y2610 HydrophobicContact CD2-CE2 4.45Å; F2559-Y2610 VanDerWaalsContact CG-OH 3.31Å; F2559-Y2610 WeakPolarHBondContact CG-OH 3.5Å; F2559-F2614 AromaticContact CD2-CD2 3.76Å; F2559-F2614 HydrophobicContact CD2-CD2 3.76Å; F2559-F2614 HydrophobicContact CD2-CE2 4.42Å; F2559-F2614 HydrophobicContact CE2-CD2 4.47Å |
| 2560 | A | 31.9 | Very low | 30.3 | Very low | 43.2 Ų | 43.2 | 77.1 Ų | 77.1 | 36% | 0.357 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -72.4 | -38.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I2556 L2557 P2558 F2562 L2563 S2564 | I2556-A2560 VanDerWaalsContact O-CB 3.3Å; I2556-A2560 WeakPolarHBondContact O-CB 3.15Å; I2556-A2560 PolarHBondContact O-N 3.17Å; L2557-A2560 WeakPolarHBondContact O-CB 3.49Å; L2557-A2560 PolarHBondContact O-N 3.37Å; P2558-A2560 VanDerWaalsContact C-N 3.32Å; P2558-A2560 HydrophobicContact CB-CB 4.4Å; P2558-A2560 HydrophobicContact CG-CB 4.33Å; P2558-A2560 PolarHBondContact O-N 3.29Å; A2560-F2562 PolarHBondContact O-N 3.39Å; A2560-L2563 PolarHBondContact O-N 2.77Å; A2560-S2564 WeakPolarHBondContact O-CB 3.34Å; A2560-S2564 PolarHBondContact O-N 2.91Å; A2560-S2564 PolarHBondContact O-OG 3.39Å |
| 2561 | N | 31.4 | Very low | 30.4 | Very low | 85.4 Ų | 85.4 | 76.2 Ų | 76.2 | 46% | 0.457 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -75.3 | -26.7 | 174.8 | -67.3 | -10.9 | 0 | 0 | 0 | 112.6 | Y2118 I2489 N2511 L2557 P2558 F2559 L2563 S2564 N2565 | Y2118-N2561 WeakPolarHBondContact CE2-ND2 3.44Å; Y2118-N2561 WeakPolarHBondContact OH-CB 3.46Å; Y2118-N2561 PolarHBondContact OH-ND2 3.46Å; I2489-N2561 WeakPolarHBondContact CD1-O 3.34Å; N2511-N2561 PolarHBondContact ND2-OD1 2.95Å; L2557-N2561 HydrophobicContact CD2-CB 4.21Å; L2557-N2561 VanDerWaalsContact O-CB 3.28Å; L2557-N2561 WeakPolarHBondContact O-CB 3.12Å; L2557-N2561 PolarHBondContact O-N 3.33Å; L2557-N2561 VanDerWaalsContact O-N 3.13Å; L2557-N2561 PolarHBondContact O-ND2 2.94Å; P2558-N2561 VanDerWaalsContact CD-CB 3.44Å; P2558-N2561 HydrophobicContact CG-CB 4.26Å; F2559-N2561 VanDerWaalsContact C-N 3.34Å; F2559-N2561 PolarHBondContact O-N 3.11Å; N2561-L2563 CarbonylContact O-C 3.57Å; N2561-L2563 PolarHBondContact O-N 2.88Å; N2561-S2564 VanDerWaalsContact CA-OG 3.31Å; N2561-S2564 WeakPolarHBondContact CA-OG 3.3Å; N2561-S2564 PolarHBondContact O-N 3.03Å; N2561-S2564 PolarHBondContact O-OG 2.77Å; N2561-S2564 VanDerWaalsContact O-OG 3.07Å; N2561-N2565 HydrophobicContact CB-CB 4.16Å; N2561-N2565 WeakPolarHBondContact O-CA 3.22Å; N2561-N2565 VanDerWaalsContact O-CB 3.28Å; N2561-N2565 WeakPolarHBondContact O-CB 3.31Å; N2561-N2565 VanDerWaalsContact O-CG 3.28Å; N2561-N2565 PolarHBondContact O-N 3.22Å; N2561-N2565 PolarHBondContact O-ND2 3.13Å; N2561-N2565 PolarHBondContact O-OD1 2.82Å |
| 2562 | F | 33.9 | Very low | 30.4 | Very low | 43 Ų | 43 | 73.3 Ų | 73.3 | 19% | 0.189 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -69.5 | -40.3 | 173.9 | -178.7 | -96.3 | 0 | 0 | 0 | 111.8 | L2493 I2519 H2532 L2536 P2558 F2559 A2560 S2564 N2565 I2566 T2607 F2614 I2617 E2618 | L2493-F2562 HydrophobicContact CD1-CD2 3.96Å; L2493-F2562 HydrophobicContact CD1-CE2 3.73Å; I2519-F2562 HydrophobicContact CD1-CD1 4.15Å; I2519-F2562 HydrophobicContact CD1-CE1 3.48Å; I2519-F2562 VanDerWaalsContact CD1-CE1 3.48Å; I2519-F2562 HydrophobicContact CD1-CZ 4.13Å; I2519-F2562 HydrophobicContact CG1-CD1 4.48Å; I2519-F2562 HydrophobicContact CG1-CE1 3.93Å; H2532-F2562 HydrophobicContact CB-CD2 4.21Å; H2532-F2562 HydrophobicContact CB-CE2 3.94Å; H2532-F2562 HydrophobicContact CB-CZ 4.28Å; H2532-F2562 AromaticContact CG-CE2 3.98Å; H2532-F2562 VanDerWaalsContact O-CE2 3.32Å; H2532-F2562 WeakPolarHBondContact O-CE2 3Å; L2536-F2562 HydrophobicContact CB-CZ 3.96Å; P2558-F2562 VanDerWaalsContact O-CB 3.24Å; P2558-F2562 WeakPolarHBondContact O-CB 3.38Å; P2558-F2562 PolarHBondContact O-N 3.03Å; F2559-F2562 HydrophobicContact CD1-CD1 4.29Å; F2559-F2562 HydrophobicContact CD2-CB 3.95Å; F2559-F2562 AromaticContact CD2-CD1 3.58Å; F2559-F2562 HydrophobicContact CD2-CD1 3.92Å; F2559-F2562 AromaticContact CD2-CE1 3.72Å; F2559-F2562 HydrophobicContact CD2-CE1 3.72Å; F2559-F2562 HydrophobicContact CD2-CG 4.32Å; F2559-F2562 HydrophobicContact CE1-CD1 4.3Å; F2559-F2562 HydrophobicContact CE1-CE1 4.21Å; F2559-F2562 HydrophobicContact CE2-CB 4.33Å; F2559-F2562 AromaticContact CE2-CD1 3.63Å; F2559-F2562 HydrophobicContact CE2-CD1 3.76Å; F2559-F2562 AromaticContact CE2-CE1 3.22Å; F2559-F2562 HydrophobicContact CE2-CE1 4.02Å; F2559-F2562 HydrophobicContact CE2-CG 4.33Å; F2559-F2562 AromaticContact CE2-CZ 3.99Å; F2559-F2562 HydrophobicContact CE2-CZ 3.99Å; F2559-F2562 AromaticContact CG-CD1 3.97Å; F2559-F2562 HydrophobicContact CG-CD1 3.97Å; F2559-F2562 HydrophobicContact CG-CE1 4.42Å; F2559-F2562 AromaticContact CZ-CD1 3.98Å; F2559-F2562 HydrophobicContact CZ-CD1 3.98Å; F2559-F2562 AromaticContact CZ-CE1 3.52Å; F2559-F2562 HydrophobicContact CZ-CE1 3.52Å; F2559-F2562 WeakPolarHBondContact O-CB 3.26Å; F2559-F2562 PolarHBondContact O-N 3.34Å; F2559-F2562 VanDerWaalsContact O-N 3.15Å; A2560-F2562 PolarHBondContact O-N 3.39Å; F2562-S2564 PolarHBondContact O-N 3.14Å; F2562-N2565 PolarHBondContact O-N 3.03Å; F2562-N2565 VanDerWaalsContact O-N 3.1Å; F2562-I2566 HydrophobicContact CD1-CD1 3.84Å; F2562-I2566 HydrophobicContact CD2-CD1 4.09Å; F2562-I2566 HydrophobicContact CE1-CD1 3.4Å; F2562-I2566 VanDerWaalsContact CE1-CD1 3.43Å; F2562-I2566 HydrophobicContact CE2-CD1 3.95Å; F2562-I2566 HydrophobicContact CG-CD1 4.28Å; F2562-I2566 HydrophobicContact CZ-CD1 3.47Å; F2562-I2566 VanDerWaalsContact CZ-CD1 3.43Å; F2562-I2566 VanDerWaalsContact O-CB 3.29Å; F2562-I2566 WeakPolarHBondContact O-CB 3.37Å; F2562-I2566 VanDerWaalsContact O-CG1 3.22Å; F2562-I2566 WeakPolarHBondContact O-CG1 3.28Å; F2562-I2566 PolarHBondContact O-N 2.75Å; F2562-I2566 VanDerWaalsContact O-N 3.07Å; F2562-T2607 HydrophobicContact CE1-CG2 3.58Å; F2562-T2607 WeakPolarHBondContact CE1-OG1 3.41Å; F2562-T2607 HydrophobicContact CE2-CG2 4.46Å; F2562-T2607 VanDerWaalsContact CE2-OG1 3.23Å; F2562-T2607 WeakPolarHBondContact CE2-OG1 3.47Å; F2562-T2607 VanDerWaalsContact CZ-CB 3.46Å; F2562-T2607 HydrophobicContact CZ-CG2 3.3Å; F2562-T2607 WeakPolarHBondContact CZ-OG1 2.91Å; F2562-F2614 HydrophobicContact CB-CE2 3.79Å; F2562-F2614 HydrophobicContact CB-CZ 4.21Å; F2562-F2614 HydrophobicContact CD1-CD2 4.4Å; F2562-F2614 AromaticContact CD1-CE2 3.67Å; F2562-F2614 HydrophobicContact CD1-CE2 3.67Å; F2562-F2614 HydrophobicContact CD2-CE2 4.1Å; F2562-F2614 HydrophobicContact CD2-CZ 4.29Å; F2562-F2614 HydrophobicContact CE1-CE2 4.18Å; F2562-F2614 AromaticContact CG-CE2 3.61Å; F2562-F2614 HydrophobicContact CG-CE2 3.61Å; F2562-F2614 HydrophobicContact CG-CZ 4.15Å; F2562-I2617 HydrophobicContact CE1-CG2 4.14Å; F2562-E2618 HydrophobicContact CE2-CB 4.11Å; F2562-E2618 HydrophobicContact CE2-CG 3.7Å; F2562-E2618 HydrophobicContact CZ-CB 3.93Å; F2562-E2618 HydrophobicContact CZ-CG 3.97Å |
| 2563 | L | 33.5 | Very low | 30.6 | Very low | 44.8 Ų | 44.8 | 73.8 Ų | 73.8 | 24% | 0.235 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -67.8 | -37.4 | 172.5 | -76.7 | 172.4 | 0 | 0 | 0 | 113.1 | A2518 I2519 F2559 A2560 N2561 N2565 I2566 I2567 | A2518-L2563 HydrophobicContact CB-CB 3.89Å; A2518-L2563 HydrophobicContact CB-CD2 4.25Å; I2519-L2563 HydrophobicContact CD1-CD1 4.18Å; I2519-L2563 HydrophobicContact CG1-CD1 3.82Å; F2559-L2563 HydrophobicContact CD1-CD1 3.92Å; F2559-L2563 HydrophobicContact CD1-CG 4.23Å; F2559-L2563 HydrophobicContact CE1-CD1 3.69Å; F2559-L2563 HydrophobicContact CE1-CD2 4.21Å; F2559-L2563 HydrophobicContact CE1-CG 4.01Å; F2559-L2563 VanDerWaalsContact CE1-CG 3.5Å; F2559-L2563 HydrophobicContact CE2-CG 4.39Å; F2559-L2563 HydrophobicContact CZ-CD1 4Å; F2559-L2563 HydrophobicContact CZ-CD2 3.9Å; F2559-L2563 HydrophobicContact CZ-CG 3.91Å; F2559-L2563 WeakPolarHBondContact O-CB 3.44Å; F2559-L2563 WeakPolarHBondContact O-CG 3.32Å; F2559-L2563 PolarHBondContact O-N 2.9Å; A2560-L2563 PolarHBondContact O-N 2.77Å; N2561-L2563 CarbonylContact O-C 3.57Å; N2561-L2563 PolarHBondContact O-N 2.88Å; L2563-N2565 VanDerWaalsContact C-N 3.26Å; L2563-N2565 PolarHBondContact O-N 3.01Å; L2563-N2565 VanDerWaalsContact O-N 3.1Å; L2563-I2566 PolarHBondContact O-N 2.87Å; L2563-I2566 VanDerWaalsContact O-N 3.11Å; L2563-I2567 HydrophobicContact CB-CD1 4.17Å; L2563-I2567 HydrophobicContact CD2-CD1 3.86Å; L2563-I2567 HydrophobicContact CD2-CG1 4.42Å; L2563-I2567 CarbonylContact O-C 2.57Å; L2563-I2567 VanDerWaalsContact O-C 3.24Å; L2563-I2567 VanDerWaalsContact O-CA 3.23Å; L2563-I2567 WeakPolarHBondContact O-CA 3.08Å; L2563-I2567 WeakPolarHBondContact O-CB 3.28Å; L2563-I2567 WeakPolarHBondContact O-CD1 3.38Å; L2563-I2567 VanDerWaalsContact O-CG1 3.25Å; L2563-I2567 WeakPolarHBondContact O-CG1 3.39Å; L2563-I2567 PolarHBondContact O-N 3.09Å |
| 2564 | S | 31.7 | Very low | 30.9 | Very low | 43.6 Ų | 43.6 | 72.9 Ų | 72.9 | 31% | 0.305 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.9 | -17.3 | 178.6 | 117.3 | 0 | 0 | 0 | 0 | 114.2 | N2511 A2560 N2561 F2562 I2566 I2567 N2568 | N2511-S2564 PolarHBondContact OD1-OG 3.08Å; A2560-S2564 WeakPolarHBondContact O-CB 3.34Å; A2560-S2564 PolarHBondContact O-N 2.91Å; A2560-S2564 PolarHBondContact O-OG 3.39Å; N2561-S2564 VanDerWaalsContact CA-OG 3.31Å; N2561-S2564 WeakPolarHBondContact CA-OG 3.3Å; N2561-S2564 PolarHBondContact O-N 3.03Å; N2561-S2564 PolarHBondContact O-OG 2.77Å; N2561-S2564 VanDerWaalsContact O-OG 3.07Å; F2562-S2564 PolarHBondContact O-N 3.14Å; S2564-I2566 VanDerWaalsContact C-N 3.26Å; S2564-I2566 PolarHBondContact O-N 2.92Å; S2564-I2567 CarbonylContact C-O 3.43Å; S2564-I2567 WeakPolarHBondContact CA-O 3.33Å; S2564-I2567 CarbonylContact O-C 3.53Å; S2564-I2567 WeakPolarHBondContact O-CA 3.23Å; S2564-I2567 WeakPolarHBondContact O-CB 3.37Å; S2564-I2567 PolarHBondContact O-N 3.41Å; S2564-N2568 WeakPolarHBondContact O-CA 3.04Å; S2564-N2568 PolarHBondContact O-N 3.18Å; S2564-N2568 PolarHBondContact O-OD1 3.22Å |
| 2565 | N | 29.8 | Very low | 31.1 | Very low | 81.8 Ų | 81.8 | 67.8 Ų | 67.8 | 44% | 0.437 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -101.4 | -18.7 | -178.3 | -86.2 | -10.6 | 0 | 0 | 0 | 113.3 | I2485 E2486 L2488 I2489 N2561 F2562 L2563 I2567 N2568 I2569 | I2485-N2565 CarbonylContact C-O 3.08Å; E2486-N2565 VanDerWaalsContact CA-O 3.23Å; E2486-N2565 WeakPolarHBondContact CA-O 3.05Å; E2486-N2565 PolarHBondContact N-O 3.48Å; E2486-N2565 VanDerWaalsContact N-O 3.13Å; L2488-N2565 WeakPolarHBondContact CB-OD1 3.01Å; L2488-N2565 PolarHBondContact O-ND2 3.04Å; I2489-N2565 HydrophobicContact CD1-CB 3.6Å; I2489-N2565 HydrophobicContact CG1-CB 3.57Å; I2489-N2565 WeakPolarHBondContact CG1-O 3.27Å; I2489-N2565 PolarHBondContact N-ND2 3.47Å; N2561-N2565 HydrophobicContact CB-CB 4.16Å; N2561-N2565 WeakPolarHBondContact O-CA 3.22Å; N2561-N2565 VanDerWaalsContact O-CB 3.28Å; N2561-N2565 WeakPolarHBondContact O-CB 3.31Å; N2561-N2565 VanDerWaalsContact O-CG 3.28Å; N2561-N2565 PolarHBondContact O-N 3.22Å; N2561-N2565 PolarHBondContact O-ND2 3.13Å; N2561-N2565 PolarHBondContact O-OD1 2.82Å; F2562-N2565 PolarHBondContact O-N 3.03Å; F2562-N2565 VanDerWaalsContact O-N 3.1Å; L2563-N2565 VanDerWaalsContact C-N 3.26Å; L2563-N2565 PolarHBondContact O-N 3.01Å; L2563-N2565 VanDerWaalsContact O-N 3.1Å; N2565-I2567 VanDerWaalsContact C-N 3.33Å; N2565-N2568 PolarHBondContact O-N 2.75Å; N2565-N2568 PolarHBondContact OD1-ND2 2.75Å; N2565-I2569 WeakPolarHBondContact O-CD1 3.47Å; N2565-I2569 VanDerWaalsContact O-CG1 3.27Å; N2565-I2569 WeakPolarHBondContact O-CG1 3.47Å; N2565-I2569 PolarHBondContact O-N 3.01Å |
| 2566 | I | 31.2 | Very low | 31.4 | Very low | 51.4 Ų | 51.4 | 68 Ų | 68 | 26% | 0.264 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -88.6 | -25.7 | 169.4 | -69.1 | 175.8 | 0 | 0 | 0 | 110.8 | I2485 E2486 I2489 Y2522 I2528 H2532 F2562 L2563 S2564 N2568 I2569 S2570 T2607 | I2485-I2566 WeakPolarHBondContact CG1-O 3.49Å; E2486-I2566 HydrophobicContact CB-CB 4.45Å; E2486-I2566 HydrophobicContact CB-CG1 4.28Å; E2486-I2566 HydrophobicContact CB-CG2 4.46Å; I2489-I2566 HydrophobicContact CB-CG1 4.32Å; I2489-I2566 HydrophobicContact CD1-CG1 3.7Å; I2489-I2566 HydrophobicContact CG1-CB 4.35Å; I2489-I2566 HydrophobicContact CG1-CG1 3.58Å; I2489-I2566 VanDerWaalsContact CG1-N 3.26Å; I2489-I2566 HydrophobicContact CG2-CG1 4.09Å; Y2522-I2566 HydrophobicContact CD1-CG2 4.18Å; Y2522-I2566 HydrophobicContact CD2-CG2 3.78Å; Y2522-I2566 HydrophobicContact CE1-CG2 3.77Å; Y2522-I2566 HydrophobicContact CE2-CG2 3.32Å; Y2522-I2566 HydrophobicContact CG-CG2 4.18Å; Y2522-I2566 PolarHBondContact OH-O 3.22Å; I2528-I2566 HydrophobicContact CG2-CD1 4.49Å; H2532-I2566 HydrophobicContact CB-CD1 4.02Å; H2532-I2566 HydrophobicContact CB-CG1 4.41Å; H2532-I2566 WeakPolarHBondContact CD2-CG1 3.31Å; F2562-I2566 HydrophobicContact CD1-CD1 3.84Å; F2562-I2566 HydrophobicContact CD2-CD1 4.09Å; F2562-I2566 HydrophobicContact CE1-CD1 3.4Å; F2562-I2566 VanDerWaalsContact CE1-CD1 3.43Å; F2562-I2566 HydrophobicContact CE2-CD1 3.95Å; F2562-I2566 HydrophobicContact CG-CD1 4.28Å; F2562-I2566 HydrophobicContact CZ-CD1 3.47Å; F2562-I2566 VanDerWaalsContact CZ-CD1 3.43Å; F2562-I2566 VanDerWaalsContact O-CB 3.29Å; F2562-I2566 WeakPolarHBondContact O-CB 3.37Å; F2562-I2566 VanDerWaalsContact O-CG1 3.22Å; F2562-I2566 WeakPolarHBondContact O-CG1 3.28Å; F2562-I2566 PolarHBondContact O-N 2.75Å; F2562-I2566 VanDerWaalsContact O-N 3.07Å; L2563-I2566 PolarHBondContact O-N 2.87Å; L2563-I2566 VanDerWaalsContact O-N 3.11Å; S2564-I2566 VanDerWaalsContact C-N 3.26Å; S2564-I2566 PolarHBondContact O-N 2.92Å; I2566-N2568 PolarHBondContact O-N 3.38Å; I2566-N2568 VanDerWaalsContact O-N 3.12Å; I2566-I2569 PolarHBondContact O-N 3.46Å; I2566-S2570 PolarHBondContact O-N 3.42Å; I2566-S2570 VanDerWaalsContact O-N 3.13Å; I2566-T2607 HydrophobicContact CD1-CG2 3.89Å |
| 2567 | I | 30.4 | Very low | 31.7 | Very low | 61.4 Ų | 61.4 | 70.6 Ų | 70.6 | 32% | 0.315 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.2 | 52.2 | 161.2 | -58.6 | 169.3 | 0 | 0 | 0 | 110.6 | F2482 L2514 A2518 Y2522 L2526 L2563 S2564 N2565 I2569 I2572 | F2482-I2567 HydrophobicContact CE2-CG2 3.82Å; F2482-I2567 HydrophobicContact CZ-CG2 4.44Å; L2514-I2567 HydrophobicContact CB-CD1 3.94Å; L2514-I2567 HydrophobicContact CD2-CD1 4.36Å; L2514-I2567 HydrophobicContact CD2-CG2 4.09Å; L2514-I2567 WeakPolarHBondContact O-CD1 3.24Å; A2518-I2567 HydrophobicContact CB-CD1 3.44Å; A2518-I2567 VanDerWaalsContact CB-CD1 3.44Å; A2518-I2567 HydrophobicContact CB-CG1 3.92Å; Y2522-I2567 HydrophobicContact CE2-CG1 4.36Å; L2526-I2567 HydrophobicContact CD2-CD1 4.17Å; L2526-I2567 HydrophobicContact CD2-CG1 4.2Å; L2563-I2567 HydrophobicContact CB-CD1 4.17Å; L2563-I2567 HydrophobicContact CD2-CD1 3.86Å; L2563-I2567 HydrophobicContact CD2-CG1 4.42Å; L2563-I2567 CarbonylContact O-C 2.57Å; L2563-I2567 VanDerWaalsContact O-C 3.24Å; L2563-I2567 VanDerWaalsContact O-CA 3.23Å; L2563-I2567 WeakPolarHBondContact O-CA 3.08Å; L2563-I2567 WeakPolarHBondContact O-CB 3.28Å; L2563-I2567 WeakPolarHBondContact O-CD1 3.38Å; L2563-I2567 VanDerWaalsContact O-CG1 3.25Å; L2563-I2567 WeakPolarHBondContact O-CG1 3.39Å; L2563-I2567 PolarHBondContact O-N 3.09Å; S2564-I2567 CarbonylContact C-O 3.43Å; S2564-I2567 WeakPolarHBondContact CA-O 3.33Å; S2564-I2567 CarbonylContact O-C 3.53Å; S2564-I2567 WeakPolarHBondContact O-CA 3.23Å; S2564-I2567 WeakPolarHBondContact O-CB 3.37Å; S2564-I2567 PolarHBondContact O-N 3.41Å; N2565-I2567 VanDerWaalsContact C-N 3.33Å; I2567-I2569 PolarHBondContact O-N 3.14Å; I2567-I2572 HydrophobicContact CB-CD1 3.8Å; I2567-I2572 HydrophobicContact CB-CG1 4.41Å; I2567-I2572 HydrophobicContact CD1-CD1 4.18Å; I2567-I2572 HydrophobicContact CG2-CD1 3.61Å; I2567-I2572 HydrophobicContact CG2-CG1 3.76Å |
| 2568 | N | 27.9 | Very low | 32.1 | Very low | 90.2 Ų | 90.2 | 71.7 Ų | 71.7 | 48% | 0.482 | 39% | 0.393 | S | S | . | . | trans | -56.6 | 84.7 | 172.5 | -103.7 | -16.7 | 0 | 0 | 0 | 112.7 | F2482 I2485 S2564 N2565 I2566 S2570 D2571 | F2482-N2568 VanDerWaalsContact CA-O 3.3Å; F2482-N2568 WeakPolarHBondContact CA-O 3.24Å; F2482-N2568 WeakPolarHBondContact CD2-O 3.22Å; I2485-N2568 HydrophobicContact CB-CB 4.4Å; I2485-N2568 VanDerWaalsContact N-CB 3.27Å; I2485-N2568 PolarHBondContact N-ND2 2.69Å; I2485-N2568 PolarHBondContact O-ND2 3.18Å; S2564-N2568 WeakPolarHBondContact O-CA 3.04Å; S2564-N2568 PolarHBondContact O-N 3.18Å; S2564-N2568 PolarHBondContact O-OD1 3.22Å; N2565-N2568 PolarHBondContact O-N 2.75Å; N2565-N2568 PolarHBondContact OD1-ND2 2.75Å; I2566-N2568 PolarHBondContact O-N 3.38Å; I2566-N2568 VanDerWaalsContact O-N 3.12Å; N2568-S2570 VanDerWaalsContact CG-OG 3.26Å; N2568-S2570 PolarHBondContact ND2-OG 2.76Å; N2568-S2570 VanDerWaalsContact ND2-OG 3.16Å; N2568-S2570 PolarHBondContact O-N 3.24Å; N2568-D2571 PolarHBondContact O-N 2.91Å | ||
| 2569 | I | 29.2 | Very low | 32.9 | Very low | 98.4 Ų | 98.4 | 73 Ų | 73 | 51% | 0.505 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -74.5 | -16.5 | 174.6 | -75.6 | 170.2 | 0 | 0 | 0 | 111.9 | Q2481 F2482 N2565 I2566 I2567 D2571 I2572 T2573 | Q2481-I2569 HydrophobicContact CG-CD1 4.2Å; Q2481-I2569 HydrophobicContact CG-CG1 4.19Å; Q2481-I2569 HydrophobicContact CG-CG2 4.38Å; Q2481-I2569 WeakPolarHBondContact O-CG2 3.34Å; F2482-I2569 HydrophobicContact CE1-CD1 4.29Å; N2565-I2569 WeakPolarHBondContact O-CD1 3.47Å; N2565-I2569 VanDerWaalsContact O-CG1 3.27Å; N2565-I2569 WeakPolarHBondContact O-CG1 3.47Å; N2565-I2569 PolarHBondContact O-N 3.01Å; I2566-I2569 PolarHBondContact O-N 3.46Å; I2567-I2569 PolarHBondContact O-N 3.14Å; I2569-D2571 VanDerWaalsContact C-N 3.26Å; I2569-D2571 HydrophobicContact CG2-CB 4.08Å; I2569-D2571 PolarHBondContact O-N 3.2Å; I2569-I2572 PolarHBondContact O-N 2.76Å; I2569-T2573 HydrophobicContact CG2-CG2 3.82Å; I2569-T2573 WeakPolarHBondContact O-CB 3.26Å; I2569-T2573 VanDerWaalsContact O-CG2 3.32Å; I2569-T2573 WeakPolarHBondContact O-CG2 3.26Å; I2569-T2573 PolarHBondContact O-N 2.75Å; I2569-T2573 PolarHBondContact O-OG1 2.93Å |
| 2570 | S | 27.6 | Very low | 33.7 | Very low | 56.6 Ų | 56.6 | 73.8 Ų | 73.8 | 40% | 0.396 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.3 | 1.6 | -179 | 60.3 | 0 | 0 | 0 | 0 | 114.1 | C2478 Y2479 Q2481 F2482 I2566 N2568 I2572 T2573 S2574 | C2478-S2570 WeakPolarHBondContact CA-OG 3.06Å; Y2479-S2570 PolarHBondContact N-OG 3.08Å; Y2479-S2570 VanDerWaalsContact N-OG 3.13Å; Q2481-S2570 VanDerWaalsContact O-CB 3.27Å; Q2481-S2570 WeakPolarHBondContact O-CB 3.44Å; Q2481-S2570 PolarHBondContact O-N 3.18Å; Q2481-S2570 PolarHBondContact O-OG 2.82Å; F2482-S2570 PolarHBondContact N-OG 2.83Å; I2566-S2570 PolarHBondContact O-N 3.42Å; I2566-S2570 VanDerWaalsContact O-N 3.13Å; N2568-S2570 VanDerWaalsContact CG-OG 3.26Å; N2568-S2570 PolarHBondContact ND2-OG 2.76Å; N2568-S2570 VanDerWaalsContact ND2-OG 3.16Å; N2568-S2570 PolarHBondContact O-N 3.24Å; S2570-I2572 WeakPolarHBondContact O-CG1 3.49Å; S2570-I2572 PolarHBondContact O-N 3.27Å; S2570-T2573 WeakPolarHBondContact CA-OG1 3.29Å; S2570-T2573 WeakPolarHBondContact O-CG2 3.23Å; S2570-T2573 PolarHBondContact O-N 2.83Å; S2570-T2573 PolarHBondContact O-OG1 3.16Å; S2570-S2574 WeakPolarHBondContact O-CB 3.49Å; S2570-S2574 PolarHBondContact O-N 2.83Å; S2570-S2574 VanDerWaalsContact O-N 3.12Å; S2570-S2574 PolarHBondContact O-OG 2.81Å; S2570-S2574 VanDerWaalsContact O-OG 3.05Å |
| 2571 | D | 29.3 | Very low | 34.8 | Very low | 84.2 Ų | 84.2 | 77 Ų | 77 | 45% | 0.45 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -97.1 | 14.3 | -175 | -101.5 | -4.6 | 0 | 0 | 0 | 112.8 | Y2479 F2482 N2568 I2569 T2573 S2574 | Y2479-D2571 WeakPolarHBondContact CD2-OD1 3.1Å; Y2479-D2571 PolarHBondContact N-OD1 3.48Å; F2482-D2571 HydrophobicContact CB-CB 4.06Å; F2482-D2571 HydrophobicContact CD1-CB 3.85Å; F2482-D2571 HydrophobicContact CD2-CB 4.02Å; F2482-D2571 HydrophobicContact CE1-CB 4.3Å; F2482-D2571 HydrophobicContact CE2-CB 4.45Å; F2482-D2571 HydrophobicContact CG-CB 3.72Å; N2568-D2571 PolarHBondContact O-N 2.91Å; I2569-D2571 VanDerWaalsContact C-N 3.26Å; I2569-D2571 HydrophobicContact CG2-CB 4.08Å; I2569-D2571 PolarHBondContact O-N 3.2Å; D2571-T2573 PolarHBondContact O-N 3.13Å; D2571-T2573 PolarHBondContact O-OG1 3.32Å; D2571-S2574 WeakPolarHBondContact CA-OG 3.31Å; D2571-S2574 VanDerWaalsContact CB-OG 3.32Å; D2571-S2574 WeakPolarHBondContact CB-OG 3.42Å; D2571-S2574 WeakPolarHBondContact O-CB 3.4Å; D2571-S2574 PolarHBondContact O-N 3.32Å; D2571-S2574 PolarHBondContact O-OG 3.16Å; D2571-S2574 WeakPolarHBondContact OD1-CB 3.32Å; D2571-S2574 PolarHBondContact OD1-OG 2.72Å |
| 2572 | I | 30.5 | Very low | 35.9 | Very low | 56.4 Ų | 56.4 | 76.3 Ų | 76.3 | 29% | 0.289 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -78 | -13.4 | 171.6 | -62.7 | -176.8 | 0 | 0 | 0 | 111.8 | I2567 I2569 S2570 S2574 L2575 E2576 | I2567-I2572 HydrophobicContact CB-CD1 3.8Å; I2567-I2572 HydrophobicContact CB-CG1 4.41Å; I2567-I2572 HydrophobicContact CD1-CD1 4.18Å; I2567-I2572 HydrophobicContact CG2-CD1 3.61Å; I2567-I2572 HydrophobicContact CG2-CG1 3.76Å; I2569-I2572 PolarHBondContact O-N 2.76Å; S2570-I2572 WeakPolarHBondContact O-CG1 3.49Å; S2570-I2572 PolarHBondContact O-N 3.27Å; I2572-S2574 PolarHBondContact O-N 3.09Å; I2572-S2574 VanDerWaalsContact O-N 3.1Å; I2572-L2575 HydrophobicContact CB-CB 4.39Å; I2572-L2575 HydrophobicContact CD1-CD1 4.1Å; I2572-L2575 HydrophobicContact CG1-CB 4.35Å; I2572-L2575 HydrophobicContact CG1-CD1 3.92Å; I2572-L2575 HydrophobicContact CG2-CB 4.24Å; I2572-L2575 HydrophobicContact CG2-CD1 3.51Å; I2572-L2575 CarbonylContact O-C 3.54Å; I2572-L2575 VanDerWaalsContact O-CA 3.26Å; I2572-L2575 WeakPolarHBondContact O-CA 3.18Å; I2572-L2575 WeakPolarHBondContact O-CB 3.14Å; I2572-L2575 PolarHBondContact O-N 3.31Å; I2572-E2576 HydrophobicContact CG2-CG 4.41Å; I2572-E2576 PolarHBondContact O-N 3.24Å; I2572-E2576 VanDerWaalsContact O-N 3.07Å |
| 2573 | T | 31 | Very low | 37.1 | Very low | 73.2 Ų | 73.2 | 74.8 Ų | 74.8 | 45% | 0.449 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.9 | -21.2 | 172.1 | 53.5 | 0 | 0 | 0 | 0 | 113.2 | C2478 I2569 S2570 D2571 L2575 E2576 N2577 | C2478-T2573 VanDerWaalsContact SG-CG2 3.58Å; C2478-T2573 PolarHBondContact SG-OG1 2.98Å; I2569-T2573 HydrophobicContact CG2-CG2 3.82Å; I2569-T2573 WeakPolarHBondContact O-CB 3.26Å; I2569-T2573 VanDerWaalsContact O-CG2 3.32Å; I2569-T2573 WeakPolarHBondContact O-CG2 3.26Å; I2569-T2573 PolarHBondContact O-N 2.75Å; I2569-T2573 PolarHBondContact O-OG1 2.93Å; S2570-T2573 WeakPolarHBondContact CA-OG1 3.29Å; S2570-T2573 WeakPolarHBondContact O-CG2 3.23Å; S2570-T2573 PolarHBondContact O-N 2.83Å; S2570-T2573 PolarHBondContact O-OG1 3.16Å; D2571-T2573 PolarHBondContact O-N 3.13Å; D2571-T2573 PolarHBondContact O-OG1 3.32Å; T2573-L2575 VanDerWaalsContact C-N 3.32Å; T2573-L2575 PolarHBondContact O-N 2.99Å; T2573-E2576 WeakPolarHBondContact O-CB 3.46Å; T2573-E2576 WeakPolarHBondContact O-CG 3.22Å; T2573-E2576 PolarHBondContact O-N 3.18Å; T2573-N2577 PolarHBondContact O-ND2 3.18Å |
| 2574 | S | 33.5 | Very low | 38.5 | Very low | 63.2 Ų | 63.2 | 75.6 Ų | 75.6 | 44% | 0.442 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -71.7 | -27.3 | 170.1 | 62.1 | 0 | 0 | 0 | 0 | 113.4 | S2570 D2571 I2572 E2576 N2577 H2578 I2582 | S2570-S2574 WeakPolarHBondContact O-CB 3.49Å; S2570-S2574 PolarHBondContact O-N 2.83Å; S2570-S2574 VanDerWaalsContact O-N 3.12Å; S2570-S2574 PolarHBondContact O-OG 2.81Å; S2570-S2574 VanDerWaalsContact O-OG 3.05Å; D2571-S2574 WeakPolarHBondContact CA-OG 3.31Å; D2571-S2574 VanDerWaalsContact CB-OG 3.32Å; D2571-S2574 WeakPolarHBondContact CB-OG 3.42Å; D2571-S2574 WeakPolarHBondContact O-CB 3.4Å; D2571-S2574 PolarHBondContact O-N 3.32Å; D2571-S2574 PolarHBondContact O-OG 3.16Å; D2571-S2574 WeakPolarHBondContact OD1-CB 3.32Å; D2571-S2574 PolarHBondContact OD1-OG 2.72Å; I2572-S2574 PolarHBondContact O-N 3.09Å; I2572-S2574 VanDerWaalsContact O-N 3.1Å; S2574-E2576 VanDerWaalsContact C-N 3.33Å; S2574-E2576 PolarHBondContact O-N 3.28Å; S2574-N2577 PolarHBondContact O-N 3.28Å; S2574-N2577 VanDerWaalsContact O-N 3.15Å; S2574-H2578 PolarHBondContact O-CE1 2.89Å; S2574-H2578 PolarHBondContact O-N 3.45Å; S2574-H2578 PolarHBondContact O-ND1 2.92Å; S2574-I2582 VanDerWaalsContact O-CD1 3.27Å; S2574-I2582 WeakPolarHBondContact O-CD1 3.35Å |
| 2575 | L | 33 | Very low | 39.9 | Very low | 31.8 Ų | 31.8 | 76.5 Ų | 76.5 | 17% | 0.166 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -77 | -14.3 | 175.3 | -98.9 | 139.2 | 0 | 0 | 0 | 113.1 | I2572 T2573 N2577 H2578 N2579 K2580 I2582 L2583 K2586 L2622 Y2626 | I2572-L2575 HydrophobicContact CB-CB 4.39Å; I2572-L2575 HydrophobicContact CD1-CD1 4.1Å; I2572-L2575 HydrophobicContact CG1-CB 4.35Å; I2572-L2575 HydrophobicContact CG1-CD1 3.92Å; I2572-L2575 HydrophobicContact CG2-CB 4.24Å; I2572-L2575 HydrophobicContact CG2-CD1 3.51Å; I2572-L2575 CarbonylContact O-C 3.54Å; I2572-L2575 VanDerWaalsContact O-CA 3.26Å; I2572-L2575 WeakPolarHBondContact O-CA 3.18Å; I2572-L2575 WeakPolarHBondContact O-CB 3.14Å; I2572-L2575 PolarHBondContact O-N 3.31Å; T2573-L2575 VanDerWaalsContact C-N 3.32Å; T2573-L2575 PolarHBondContact O-N 2.99Å; L2575-N2577 CarbonylContact C-O 3.55Å; L2575-N2577 PolarHBondContact O-N 3.29Å; L2575-H2578 WeakPolarHBondContact CD2-NE2 3.46Å; L2575-H2578 WeakPolarHBondContact CD2-O 3.37Å; L2575-H2578 CarbonylContact O-C 3.56Å; L2575-H2578 PolarHBondContact O-N 3.39Å; L2575-H2578 VanDerWaalsContact O-O 3.06Å; L2575-N2579 CarbonylContact O-C 3.24Å; L2575-N2579 PolarHBondContact O-N 3.13Å; L2575-K2580 PolarHBondContact O-N 3.11Å; L2575-I2582 HydrophobicContact CD2-CB 4.03Å; L2575-I2582 HydrophobicContact CD2-CG2 3.55Å; L2575-I2582 HydrophobicContact CG-CG2 3.86Å; L2575-L2583 HydrophobicContact CD1-CD1 4.11Å; L2575-L2583 HydrophobicContact CD2-CB 4.16Å; L2575-L2583 HydrophobicContact CD2-CD1 3.83Å; L2575-K2586 HydrophobicContact CD1-CD 4.11Å; L2575-L2622 HydrophobicContact CD1-CD2 4.25Å; L2575-L2622 HydrophobicContact CD2-CD2 3.52Å; L2575-L2622 VanDerWaalsContact CD2-CD2 3.48Å; L2575-L2622 HydrophobicContact CD2-CG 4.14Å; L2575-Y2626 HydrophobicContact CD2-CE2 3.95Å |
| 2576 | E | 35.6 | Very low | 41.4 | Very low | 107.6 Ų | 107.6 | 74.6 Ų | 74.6 | 50% | 0.503 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -20 | 174.8 | -71.6 | -177.6 | 159.1 | 0 | 0 | 112.6 | I2572 T2573 S2574 H2578 K2580 | I2572-E2576 HydrophobicContact CG2-CG 4.41Å; I2572-E2576 PolarHBondContact O-N 3.24Å; I2572-E2576 VanDerWaalsContact O-N 3.07Å; T2573-E2576 WeakPolarHBondContact O-CB 3.46Å; T2573-E2576 WeakPolarHBondContact O-CG 3.22Å; T2573-E2576 PolarHBondContact O-N 3.18Å; S2574-E2576 VanDerWaalsContact C-N 3.33Å; S2574-E2576 PolarHBondContact O-N 3.28Å; E2576-H2578 PolarHBondContact O-N 2.83Å; E2576-H2578 PolarHBondContact O-ND1 2.87Å; E2576-K2580 HydrophobicContact CG-CD 3.77Å; E2576-K2580 HydrophobicContact CG-CG 4.18Å; E2576-K2580 WeakPolarHBondContact OE1-CE 3.5Å; E2576-K2580 IonicContact OE1-NZ 2.61Å; E2576-K2580 PolarHBondContact OE1-NZ 3.14Å |
| 2577 | N | 36.6 | Very low | 43.2 | Very low | 128 Ų | 128 | 72.5 Ų | 72.5 | 68% | 0.684 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 55.8 | 173.5 | -75.1 | -54.8 | 0 | 0 | 0 | 112.7 | T2573 S2574 L2575 N2579 | T2573-N2577 PolarHBondContact O-ND2 3.18Å; S2574-N2577 PolarHBondContact O-N 3.28Å; S2574-N2577 VanDerWaalsContact O-N 3.15Å; L2575-N2577 CarbonylContact C-O 3.55Å; L2575-N2577 PolarHBondContact O-N 3.29Å; N2577-N2579 PolarHBondContact O-N 3.15Å |
| 2578 | H | 38.9 | Very low | 45 | Very low | 129.2 Ų | 129.2 | 72.4 Ų | 72.4 | 60% | 0.598 | 38% | 0.382 | S | S | * | . | trans | -73.4 | 94.9 | 172.5 | -73.3 | -10.2 | 0 | 0 | 0 | 114.2 | S2574 L2575 E2576 K2580 I2582 L2583 Y2626 | S2574-H2578 PolarHBondContact O-CE1 2.89Å; S2574-H2578 PolarHBondContact O-N 3.45Å; S2574-H2578 PolarHBondContact O-ND1 2.92Å; L2575-H2578 WeakPolarHBondContact CD2-NE2 3.46Å; L2575-H2578 WeakPolarHBondContact CD2-O 3.37Å; L2575-H2578 CarbonylContact O-C 3.56Å; L2575-H2578 PolarHBondContact O-N 3.39Å; L2575-H2578 VanDerWaalsContact O-O 3.06Å; E2576-H2578 PolarHBondContact O-N 2.83Å; E2576-H2578 PolarHBondContact O-ND1 2.87Å; H2578-K2580 PolarHBondContact O-N 2.88Å; H2578-I2582 HydrophobicContact CB-CB 4.03Å; H2578-I2582 HydrophobicContact CB-CD1 3.8Å; H2578-I2582 HydrophobicContact CB-CG2 4.13Å; H2578-I2582 WeakPolarHBondContact ND1-CG2 3.3Å; H2578-L2583 HydrophobicContact CB-CB 4.23Å; H2578-Y2626 WeakPolarHBondContact CB-OH 3.3Å; H2578-Y2626 PolarHBondContact N-OH 2.88Å; H2578-Y2626 VanDerWaalsContact N-OH 3.11Å; H2578-Y2626 PolarHBondContact O-OH 3.24Å | ||
| 2579 | N | 50.5 | Low | 47 | Very low | 94.8 Ų | 94.8 | 71.9 Ų | 71.9 | 51% | 0.507 | 38% | 0.377 | S | S | . | . | trans | -63.3 | 116.1 | 161.9 | -123.8 | -24.5 | 0 | 0 | 0 | 112.8 | L2575 N2577 N2581 I2582 L2583 | L2575-N2579 CarbonylContact O-C 3.24Å; L2575-N2579 PolarHBondContact O-N 3.13Å; N2577-N2579 PolarHBondContact O-N 3.15Å; N2579-N2581 HydrophobicContact CB-CB 4.37Å; N2579-N2581 PolarHBondContact O-N 2.99Å; N2579-N2581 VanDerWaalsContact OD1-CB 3.31Å; N2579-N2581 WeakPolarHBondContact OD1-CB 2.95Å; N2579-N2581 PolarHBondContact OD1-N 3.01Å; N2579-I2582 HydrophobicContact CB-CB 4.03Å; N2579-I2582 HydrophobicContact CB-CD1 4.13Å; N2579-I2582 HydrophobicContact CB-CG1 4.05Å; N2579-I2582 HydrophobicContact CB-CG2 3.72Å; N2579-I2582 CarbonylContact O-C 3.28Å; N2579-I2582 PolarHBondContact O-N 2.98Å; N2579-L2583 WeakPolarHBondContact O-CB 2.96Å; N2579-L2583 PolarHBondContact O-N 3.02Å; N2579-L2583 VanDerWaalsContact O-N 3.13Å | ||
| 2580 | K | 50.9 | Low | 48.8 | Very low | 81.4 Ų | 81.4 | 67.4 Ų | 67.4 | 35% | 0.354 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -46.2 | -37.1 | 168.9 | -162.6 | -179.8 | 179.9 | 175.9 | 0 | 112.3 | L2575 E2576 H2578 I2582 L2583 Y2584 L2678 N2680 T2681 | L2575-K2580 PolarHBondContact O-N 3.11Å; E2576-K2580 HydrophobicContact CG-CD 3.77Å; E2576-K2580 HydrophobicContact CG-CG 4.18Å; E2576-K2580 WeakPolarHBondContact OE1-CE 3.5Å; E2576-K2580 IonicContact OE1-NZ 2.61Å; E2576-K2580 PolarHBondContact OE1-NZ 3.14Å; H2578-K2580 PolarHBondContact O-N 2.88Å; K2580-I2582 VanDerWaalsContact C-N 3.3Å; K2580-I2582 PolarHBondContact O-N 3.2Å; K2580-L2583 PolarHBondContact O-N 2.75Å; K2580-Y2584 VanDerWaalsContact O-CB 3.24Å; K2580-Y2584 WeakPolarHBondContact O-CB 3.31Å; K2580-Y2584 WeakPolarHBondContact O-CD2 3.39Å; K2580-Y2584 PolarHBondContact O-N 3.08Å; K2580-L2678 HydrophobicContact CD-CD2 4.49Å; K2580-L2678 WeakPolarHBondContact CE-O 3.26Å; K2580-L2678 HydrophobicContact CG-CD2 4.04Å; K2580-L2678 PolarHBondContact NZ-O 3.28Å; K2580-N2680 PolarHBondContact NZ-O 2.83Å; K2580-T2681 PolarHBondContact NZ-O 3.08Å |
| 2581 | N | 54.6 | Low | 50.8 | Low | 110.4 Ų | 110.4 | 65.7 Ų | 65.7 | 59% | 0.59 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67.1 | -33.4 | 177.8 | -63.7 | -4.1 | 0 | 0 | 0 | 113.6 | N2579 Y2584 S2585 K2993 | N2579-N2581 HydrophobicContact CB-CB 4.37Å; N2579-N2581 PolarHBondContact O-N 2.99Å; N2579-N2581 VanDerWaalsContact OD1-CB 3.31Å; N2579-N2581 WeakPolarHBondContact OD1-CB 2.95Å; N2579-N2581 PolarHBondContact OD1-N 3.01Å; N2581-Y2584 PolarHBondContact O-N 3.12Å; N2581-S2585 VanDerWaalsContact O-CB 3.29Å; N2581-S2585 WeakPolarHBondContact O-CB 3.3Å; N2581-S2585 PolarHBondContact O-N 3.26Å; N2581-S2585 PolarHBondContact O-OG 3.07Å; N2581-S2585 VanDerWaalsContact O-OG 3.06Å; N2581-K2993 PolarHBondContact OD1-NZ 3.26Å |
| 2582 | I | 54.4 | Low | 52.7 | Low | 71 Ų | 71 | 66.1 Ų | 66.1 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -79.1 | -36.2 | 179.5 | -67.1 | 171.6 | 0 | 0 | 0 | 110.3 | S2574 L2575 H2578 N2579 K2580 Y2584 S2585 K2586 | S2574-I2582 VanDerWaalsContact O-CD1 3.27Å; S2574-I2582 WeakPolarHBondContact O-CD1 3.35Å; L2575-I2582 HydrophobicContact CD2-CB 4.03Å; L2575-I2582 HydrophobicContact CD2-CG2 3.55Å; L2575-I2582 HydrophobicContact CG-CG2 3.86Å; H2578-I2582 HydrophobicContact CB-CB 4.03Å; H2578-I2582 HydrophobicContact CB-CD1 3.8Å; H2578-I2582 HydrophobicContact CB-CG2 4.13Å; H2578-I2582 WeakPolarHBondContact ND1-CG2 3.3Å; N2579-I2582 HydrophobicContact CB-CB 4.03Å; N2579-I2582 HydrophobicContact CB-CD1 4.13Å; N2579-I2582 HydrophobicContact CB-CG1 4.05Å; N2579-I2582 HydrophobicContact CB-CG2 3.72Å; N2579-I2582 CarbonylContact O-C 3.28Å; N2579-I2582 PolarHBondContact O-N 2.98Å; K2580-I2582 VanDerWaalsContact C-N 3.3Å; K2580-I2582 PolarHBondContact O-N 3.2Å; I2582-Y2584 VanDerWaalsContact C-N 3.33Å; I2582-Y2584 PolarHBondContact O-N 2.74Å; I2582-S2585 PolarHBondContact O-N 3.14Å; I2582-K2586 HydrophobicContact CG2-CD 4.41Å; I2582-K2586 HydrophobicContact CG2-CG 4.45Å; I2582-K2586 WeakPolarHBondContact O-CB 3.18Å; I2582-K2586 WeakPolarHBondContact O-CD 3.16Å; I2582-K2586 WeakPolarHBondContact O-CG 3.27Å; I2582-K2586 PolarHBondContact O-N 3.15Å |
| 2583 | L | 58.9 | Low | 54.5 | Low | 11.2 Ų | 11.2 | 63.6 Ų | 63.6 | 6% | 0.059 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 170.5 | -179.5 | 72.6 | 0 | 0 | 0 | 110.4 | Y2522 L2575 H2578 N2579 K2580 S2585 K2586 L2587 L2622 Y2626 L2678 V2685 | Y2522-L2583 HydrophobicContact CD1-CD1 4.11Å; Y2522-L2583 HydrophobicContact CE1-CD1 3.5Å; Y2522-L2583 VanDerWaalsContact CE1-CD1 3.5Å; Y2522-L2583 HydrophobicContact CE1-CG 4.16Å; Y2522-L2583 HydrophobicContact CE2-CD1 4Å; Y2522-L2583 HydrophobicContact CE2-CG 4.17Å; Y2522-L2583 VanDerWaalsContact CZ-CD1 3.48Å; Y2522-L2583 WeakPolarHBondContact OH-CA 3.33Å; Y2522-L2583 WeakPolarHBondContact OH-CG 3.42Å; Y2522-L2583 PolarHBondContact OH-O 2.97Å; Y2522-L2583 VanDerWaalsContact OH-O 3.08Å; L2575-L2583 HydrophobicContact CD1-CD1 4.11Å; L2575-L2583 HydrophobicContact CD2-CB 4.16Å; L2575-L2583 HydrophobicContact CD2-CD1 3.83Å; H2578-L2583 HydrophobicContact CB-CB 4.23Å; N2579-L2583 WeakPolarHBondContact O-CB 2.96Å; N2579-L2583 PolarHBondContact O-N 3.02Å; N2579-L2583 VanDerWaalsContact O-N 3.13Å; K2580-L2583 PolarHBondContact O-N 2.75Å; L2583-S2585 PolarHBondContact O-N 2.81Å; L2583-K2586 PolarHBondContact O-N 3.19Å; L2583-L2587 HydrophobicContact CD1-CD1 4.15Å; L2583-L2587 HydrophobicContact CD1-CG 4.34Å; L2583-L2587 HydrophobicContact CD2-CD1 4.44Å; L2583-L2587 HydrophobicContact CG-CD1 3.96Å; L2583-L2587 HydrophobicContact CG-CG 4.44Å; L2583-L2587 WeakPolarHBondContact O-CB 3.11Å; L2583-L2587 WeakPolarHBondContact O-CD1 3.46Å; L2583-L2587 VanDerWaalsContact O-CG 3.3Å; L2583-L2587 WeakPolarHBondContact O-CG 3.25Å; L2583-L2587 PolarHBondContact O-N 3.09Å; L2583-L2622 HydrophobicContact CD1-CD2 4.18Å; L2583-Y2626 HydrophobicContact CD1-CD2 3.83Å; L2583-Y2626 HydrophobicContact CD1-CE2 3.82Å; L2583-Y2626 HydrophobicContact CD1-CG 4.41Å; L2583-Y2626 HydrophobicContact CD2-CD1 4.04Å; L2583-Y2626 HydrophobicContact CD2-CD2 4.16Å; L2583-Y2626 HydrophobicContact CD2-CE1 4.23Å; L2583-Y2626 HydrophobicContact CD2-CE2 4.26Å; L2583-Y2626 HydrophobicContact CD2-CG 3.99Å; L2583-L2678 HydrophobicContact CD2-CD1 4.49Å; L2583-L2678 HydrophobicContact CD2-CD2 4.44Å; L2583-L2678 HydrophobicContact CG-CD1 4.49Å; L2583-V2685 HydrophobicContact CD2-CB 4.47Å; L2583-V2685 HydrophobicContact CD2-CG1 4.12Å |
| 2584 | Y | 62 | Low | 56.3 | Low | 61.4 Ų | 61.4 | 60.2 Ų | 60.2 | 24% | 0.241 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.1 | -48.5 | 173.3 | -163.8 | -88.1 | 0 | 0 | 0 | 111.8 | K2580 N2581 I2582 K2586 L2587 E2588 K2675 L2678 I2679 H2907 | K2580-Y2584 VanDerWaalsContact O-CB 3.24Å; K2580-Y2584 WeakPolarHBondContact O-CB 3.31Å; K2580-Y2584 WeakPolarHBondContact O-CD2 3.39Å; K2580-Y2584 PolarHBondContact O-N 3.08Å; N2581-Y2584 PolarHBondContact O-N 3.12Å; I2582-Y2584 VanDerWaalsContact C-N 3.33Å; I2582-Y2584 PolarHBondContact O-N 2.74Å; Y2584-K2586 VanDerWaalsContact C-N 3.31Å; Y2584-K2586 PolarHBondContact O-N 3.19Å; Y2584-L2587 CarbonylContact O-C 3.57Å; Y2584-L2587 WeakPolarHBondContact O-CA 2.63Å; Y2584-L2587 PolarHBondContact O-N 2.9Å; Y2584-E2588 HydrophobicContact CE1-CB 4.49Å; Y2584-E2588 WeakPolarHBondContact CE1-OE1 3.36Å; Y2584-E2588 WeakPolarHBondContact CE1-OE2 3.31Å; Y2584-E2588 WeakPolarHBondContact O-CB 3.27Å; Y2584-E2588 VanDerWaalsContact O-CG 3.28Å; Y2584-E2588 WeakPolarHBondContact O-CG 3.22Å; Y2584-E2588 PolarHBondContact O-N 3.13Å; Y2584-E2588 PolarHBondContact OH-OE1 3.07Å; Y2584-K2675 HydrophobicContact CD2-CG 4.28Å; Y2584-K2675 HydrophobicContact CE2-CB 4.04Å; Y2584-K2675 HydrophobicContact CE2-CD 4.38Å; Y2584-K2675 HydrophobicContact CE2-CG 4.02Å; Y2584-K2675 VanDerWaalsContact CZ-CE 3.41Å; Y2584-K2675 VanDerWaalsContact OH-CE 3.25Å; Y2584-K2675 WeakPolarHBondContact OH-CE 3.35Å; Y2584-L2678 HydrophobicContact CD2-CB 4.22Å; Y2584-L2678 HydrophobicContact CD2-CD1 4.3Å; Y2584-I2679 HydrophobicContact CD2-CG1 4.43Å; Y2584-I2679 HydrophobicContact CE2-CD1 3.94Å; Y2584-I2679 HydrophobicContact CE2-CG1 3.74Å; Y2584-I2679 WeakPolarHBondContact OH-CD1 3.32Å; Y2584-H2907 AromaticContact CD1-CE1 3.64Å; Y2584-H2907 AromaticContact CD1-NE2 3.78Å; Y2584-H2907 AromaticContact CE1-CD2 3.54Å; Y2584-H2907 AromaticContact CE1-CE1 3.7Å; Y2584-H2907 AromaticContact CE1-CG 3.76Å; Y2584-H2907 AromaticContact CE1-ND1 3.85Å; Y2584-H2907 AromaticContact CE1-NE2 3.55Å; Y2584-H2907 AromaticContact CZ-CD2 3.8Å; Y2584-H2907 AromaticContact CZ-NE2 3.94Å |
| 2585 | S | 61.2 | Low | 58 | Low | 62.4 Ų | 62.4 | 59.4 Ų | 59.4 | 44% | 0.436 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.9 | -34.5 | 178.6 | -102.2 | 0 | 0 | 0 | 0 | 113.4 | N2581 I2582 L2583 E2588 E2589 | N2581-S2585 VanDerWaalsContact O-CB 3.29Å; N2581-S2585 WeakPolarHBondContact O-CB 3.3Å; N2581-S2585 PolarHBondContact O-N 3.26Å; N2581-S2585 PolarHBondContact O-OG 3.07Å; N2581-S2585 VanDerWaalsContact O-OG 3.06Å; I2582-S2585 PolarHBondContact O-N 3.14Å; L2583-S2585 PolarHBondContact O-N 2.81Å; S2585-E2588 VanDerWaalsContact CA-OE2 3.26Å; S2585-E2588 WeakPolarHBondContact CA-OE2 3.42Å; S2585-E2588 PolarHBondContact N-OE2 2.71Å; S2585-E2588 WeakPolarHBondContact O-CB 3.33Å; S2585-E2588 PolarHBondContact O-N 2.86Å; S2585-E2588 PolarHBondContact OG-OE2 2.69Å; S2585-E2589 WeakPolarHBondContact O-CA 3.26Å; S2585-E2589 WeakPolarHBondContact O-CB 3.16Å; S2585-E2589 WeakPolarHBondContact O-CG 3.11Å; S2585-E2589 PolarHBondContact O-N 3.25Å |
| 2586 | K | 62.8 | Low | 59.6 | Low | 42 Ų | 42 | 63.1 Ų | 63.1 | 18% | 0.183 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.7 | -42.4 | 171.6 | -87.8 | -163.4 | 172.8 | -171.2 | 0 | 112.2 | L2575 I2582 L2583 Y2584 E2588 E2589 Y2590 E2618 L2622 | L2575-K2586 HydrophobicContact CD1-CD 4.11Å; I2582-K2586 HydrophobicContact CG2-CD 4.41Å; I2582-K2586 HydrophobicContact CG2-CG 4.45Å; I2582-K2586 WeakPolarHBondContact O-CB 3.18Å; I2582-K2586 WeakPolarHBondContact O-CD 3.16Å; I2582-K2586 WeakPolarHBondContact O-CG 3.27Å; I2582-K2586 PolarHBondContact O-N 3.15Å; L2583-K2586 PolarHBondContact O-N 3.19Å; Y2584-K2586 VanDerWaalsContact C-N 3.31Å; Y2584-K2586 PolarHBondContact O-N 3.19Å; K2586-E2588 VanDerWaalsContact C-N 3.26Å; K2586-E2588 PolarHBondContact O-N 2.85Å; K2586-E2589 WeakPolarHBondContact O-CB 3.38Å; K2586-E2589 PolarHBondContact O-N 3.13Å; K2586-E2589 VanDerWaalsContact O-N 3.13Å; K2586-Y2590 HydrophobicContact CB-CD2 4.39Å; K2586-Y2590 HydrophobicContact CB-CE2 4.08Å; K2586-Y2590 HydrophobicContact CG-CE2 4.49Å; K2586-Y2590 WeakPolarHBondContact O-CB 3.38Å; K2586-Y2590 WeakPolarHBondContact O-CD2 3.37Å; K2586-Y2590 VanDerWaalsContact O-CE2 3.32Å; K2586-Y2590 WeakPolarHBondContact O-CE2 3.3Å; K2586-Y2590 PolarHBondContact O-N 3.27Å; K2586-E2618 IonicContact NZ-OE1 3.31Å; K2586-E2618 PolarHBondContact NZ-OE1 3.24Å; K2586-E2618 IonicContact NZ-OE2 3.51Å; K2586-L2622 HydrophobicContact CD-CD1 4.37Å |
| 2587 | L | 67.3 | Low | 60.9 | Low | 7 Ų | 7 | 58.1 Ų | 58.1 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.7 | -34.5 | 175.4 | -70.4 | 168.7 | 0 | 0 | 0 | 111.9 | A2518 Y2522 L2583 Y2584 Y2590 Q2591 L2619 L2628 L2671 I2674 K2675 L2678 | A2518-L2587 HydrophobicContact CB-CD2 3.57Å; Y2522-L2587 HydrophobicContact CE2-CD1 4.06Å; Y2522-L2587 HydrophobicContact CE2-CD2 3.92Å; Y2522-L2587 HydrophobicContact CE2-CG 3.88Å; L2583-L2587 HydrophobicContact CD1-CD1 4.15Å; L2583-L2587 HydrophobicContact CD1-CG 4.34Å; L2583-L2587 HydrophobicContact CD2-CD1 4.44Å; L2583-L2587 HydrophobicContact CG-CD1 3.96Å; L2583-L2587 HydrophobicContact CG-CG 4.44Å; L2583-L2587 WeakPolarHBondContact O-CB 3.11Å; L2583-L2587 WeakPolarHBondContact O-CD1 3.46Å; L2583-L2587 VanDerWaalsContact O-CG 3.3Å; L2583-L2587 WeakPolarHBondContact O-CG 3.25Å; L2583-L2587 PolarHBondContact O-N 3.09Å; Y2584-L2587 CarbonylContact O-C 3.57Å; Y2584-L2587 WeakPolarHBondContact O-CA 2.63Å; Y2584-L2587 PolarHBondContact O-N 2.9Å; L2587-Y2590 HydrophobicContact CD2-CD2 4.44Å; L2587-Y2590 CarbonylContact O-C 3.46Å; L2587-Y2590 PolarHBondContact O-N 3.25Å; L2587-Q2591 WeakPolarHBondContact O-CA 3.45Å; L2587-Q2591 VanDerWaalsContact O-CB 3.29Å; L2587-Q2591 WeakPolarHBondContact O-CB 3.33Å; L2587-Q2591 PolarHBondContact O-N 3.14Å; L2587-Q2591 VanDerWaalsContact O-N 3.1Å; L2587-L2619 HydrophobicContact CD2-CD1 4.09Å; L2587-L2628 HydrophobicContact CD2-CD1 4.2Å; L2587-L2671 HydrophobicContact CD2-CD2 3.62Å; L2587-I2674 HydrophobicContact CD1-CG2 3.84Å; L2587-K2675 HydrophobicContact CB-CG 4.25Å; L2587-L2678 HydrophobicContact CD1-CD1 3.4Å; L2587-L2678 VanDerWaalsContact CD1-CD1 3.47Å |
| 2588 | E | 68.8 | Low | 62.2 | Low | 60.8 Ų | 60.8 | 56.8 Ų | 56.8 | 28% | 0.284 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.9 | -44.7 | 170.9 | -154.7 | 151.2 | -119.4 | 0 | 0 | 111.7 | Y2584 S2585 K2586 Y2590 Q2591 E2592 K2675 T2990 | Y2584-E2588 HydrophobicContact CE1-CB 4.49Å; Y2584-E2588 WeakPolarHBondContact CE1-OE1 3.36Å; Y2584-E2588 WeakPolarHBondContact CE1-OE2 3.31Å; Y2584-E2588 WeakPolarHBondContact O-CB 3.27Å; Y2584-E2588 VanDerWaalsContact O-CG 3.28Å; Y2584-E2588 WeakPolarHBondContact O-CG 3.22Å; Y2584-E2588 PolarHBondContact O-N 3.13Å; Y2584-E2588 PolarHBondContact OH-OE1 3.07Å; S2585-E2588 VanDerWaalsContact CA-OE2 3.26Å; S2585-E2588 WeakPolarHBondContact CA-OE2 3.42Å; S2585-E2588 PolarHBondContact N-OE2 2.71Å; S2585-E2588 WeakPolarHBondContact O-CB 3.33Å; S2585-E2588 PolarHBondContact O-N 2.86Å; S2585-E2588 PolarHBondContact OG-OE2 2.69Å; K2586-E2588 VanDerWaalsContact C-N 3.26Å; K2586-E2588 PolarHBondContact O-N 2.85Å; E2588-Y2590 VanDerWaalsContact C-N 3.34Å; E2588-Y2590 PolarHBondContact O-N 3.19Å; E2588-Q2591 PolarHBondContact O-N 2.94Å; E2588-Q2591 VanDerWaalsContact O-N 3.12Å; E2588-E2592 WeakPolarHBondContact O-CA 3.49Å; E2588-E2592 WeakPolarHBondContact O-CB 3.49Å; E2588-E2592 WeakPolarHBondContact O-CG 3.4Å; E2588-E2592 PolarHBondContact O-N 3.19Å; E2588-K2675 HydrophobicContact CB-CD 4.43Å; E2588-K2675 VanDerWaalsContact CD-NZ 3.27Å; E2588-K2675 VanDerWaalsContact CG-NZ 3.29Å; E2588-K2675 WeakPolarHBondContact OE1-CE 3.37Å; E2588-K2675 IonicContact OE1-NZ 3.11Å; E2588-K2675 PolarHBondContact OE1-NZ 3.02Å; E2588-T2990 HydrophobicContact CB-CG2 4.37Å; E2588-T2990 HydrophobicContact CG-CG2 4.17Å |
| 2589 | E | 69.2 | Low | 63.4 | Low | 79.8 Ų | 79.8 | 55.2 Ų | 55.2 | 37% | 0.373 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 174.5 | -150.9 | -168.1 | 166.2 | 0 | 0 | 112.4 | S2585 K2586 Q2591 E2592 F2593 K2615 K2983 | S2585-E2589 WeakPolarHBondContact O-CA 3.26Å; S2585-E2589 WeakPolarHBondContact O-CB 3.16Å; S2585-E2589 WeakPolarHBondContact O-CG 3.11Å; S2585-E2589 PolarHBondContact O-N 3.25Å; K2586-E2589 WeakPolarHBondContact O-CB 3.38Å; K2586-E2589 PolarHBondContact O-N 3.13Å; K2586-E2589 VanDerWaalsContact O-N 3.13Å; E2589-Q2591 VanDerWaalsContact C-N 3.34Å; E2589-Q2591 PolarHBondContact O-N 3.08Å; E2589-E2592 PolarHBondContact O-N 3.38Å; E2589-F2593 WeakPolarHBondContact O-CB 3.26Å; E2589-F2593 PolarHBondContact O-N 3.16Å; E2589-F2593 VanDerWaalsContact O-N 3.11Å; E2589-K2615 WeakPolarHBondContact OE1-CE 3.34Å; E2589-K2615 IonicContact OE1-NZ 3.34Å; E2589-K2615 PolarHBondContact OE1-NZ 3.39Å; E2589-K2615 IonicContact OE2-NZ 3.64Å; E2589-K2983 PolarHBondContact O-NZ 3.28Å |
| 2590 | Y | 68.1 | Low | 63.7 | Low | 3.6 Ų | 3.6 | 52.5 Ų | 52.5 | 1% | 0.014 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.1 | -36.9 | 174.8 | -62.2 | -53.1 | 0 | 0 | 0 | 112 | A2521 K2586 L2587 E2588 E2592 F2593 Y2594 L2613 K2615 I2617 E2618 L2619 E2620 L2622 | A2521-Y2590 HydrophobicContact CB-CD2 3.74Å; A2521-Y2590 HydrophobicContact CB-CE2 3.57Å; K2586-Y2590 HydrophobicContact CB-CD2 4.39Å; K2586-Y2590 HydrophobicContact CB-CE2 4.08Å; K2586-Y2590 HydrophobicContact CG-CE2 4.49Å; K2586-Y2590 WeakPolarHBondContact O-CB 3.38Å; K2586-Y2590 WeakPolarHBondContact O-CD2 3.37Å; K2586-Y2590 VanDerWaalsContact O-CE2 3.32Å; K2586-Y2590 WeakPolarHBondContact O-CE2 3.3Å; K2586-Y2590 PolarHBondContact O-N 3.27Å; L2587-Y2590 HydrophobicContact CD2-CD2 4.44Å; L2587-Y2590 CarbonylContact O-C 3.46Å; L2587-Y2590 PolarHBondContact O-N 3.25Å; E2588-Y2590 VanDerWaalsContact C-N 3.34Å; E2588-Y2590 PolarHBondContact O-N 3.19Å; Y2590-E2592 VanDerWaalsContact C-N 3.35Å; Y2590-E2592 PolarHBondContact O-N 3.33Å; Y2590-F2593 WeakPolarHBondContact O-CA 3.46Å; Y2590-F2593 WeakPolarHBondContact O-CB 3.24Å; Y2590-F2593 PolarHBondContact O-N 3.13Å; Y2590-F2593 VanDerWaalsContact O-N 3.09Å; Y2590-Y2594 HydrophobicContact CD1-CE2 4.44Å; Y2590-Y2594 VanDerWaalsContact O-CB 3.27Å; Y2590-Y2594 WeakPolarHBondContact O-CB 3.29Å; Y2590-Y2594 WeakPolarHBondContact O-CD2 3.29Å; Y2590-Y2594 PolarHBondContact O-N 3.09Å; Y2590-L2613 HydrophobicContact CD1-CD1 4.4Å; Y2590-K2615 HydrophobicContact CD1-CB 4.08Å; Y2590-K2615 HydrophobicContact CD1-CD 4.04Å; Y2590-K2615 HydrophobicContact CD1-CG 4.33Å; Y2590-K2615 HydrophobicContact CE1-CB 4.08Å; Y2590-K2615 HydrophobicContact CE1-CD 3.82Å; Y2590-K2615 HydrophobicContact CE1-CG 4.19Å; Y2590-I2617 HydrophobicContact CD1-CD1 4.12Å; Y2590-I2617 HydrophobicContact CD1-CG1 3.89Å; Y2590-I2617 HydrophobicContact CE1-CD1 4.37Å; Y2590-I2617 HydrophobicContact CE1-CG1 3.72Å; Y2590-I2617 HydrophobicContact CG-CD1 4.31Å; Y2590-E2618 HydrophobicContact CE1-CB 4.42Å; Y2590-E2618 WeakPolarHBondContact OH-CB 3.03Å; Y2590-E2618 VanDerWaalsContact OH-CG 3.28Å; Y2590-E2618 WeakPolarHBondContact OH-CG 3.33Å; Y2590-E2618 PolarHBondContact OH-OE1 3.28Å; Y2590-E2618 PolarHBondContact OH-OE2 3.06Å; Y2590-L2619 HydrophobicContact CD2-CD1 3.73Å; Y2590-L2619 HydrophobicContact CE2-CD1 4.12Å; Y2590-L2619 HydrophobicContact CG-CD1 4.3Å; Y2590-E2620 PolarHBondContact OH-OE2 3.1Å; Y2590-L2622 HydrophobicContact CE2-CD1 3.58Å; Y2590-L2622 VanDerWaalsContact OH-CD1 3.29Å; Y2590-L2622 WeakPolarHBondContact OH-CD1 3.48Å |
| 2591 | Q | 69.7 | Low | 64 | Low | 19.4 Ų | 19.4 | 54.6 Ų | 54.6 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.8 | -41.3 | 179.1 | -175.8 | 132.3 | -2.1 | 0 | 0 | 111.6 | L2514 L2587 E2588 E2589 F2593 Y2594 N2595 A2668 L2671 D2672 K2675 S2911 K2912 | L2514-Q2591 HydrophobicContact CD1-CG 4.09Å; L2514-Q2591 HydrophobicContact CD2-CB 3.55Å; L2514-Q2591 HydrophobicContact CD2-CG 3.53Å; L2514-Q2591 HydrophobicContact CG-CG 4.45Å; L2587-Q2591 WeakPolarHBondContact O-CA 3.45Å; L2587-Q2591 VanDerWaalsContact O-CB 3.29Å; L2587-Q2591 WeakPolarHBondContact O-CB 3.33Å; L2587-Q2591 PolarHBondContact O-N 3.14Å; L2587-Q2591 VanDerWaalsContact O-N 3.1Å; E2588-Q2591 PolarHBondContact O-N 2.94Å; E2588-Q2591 VanDerWaalsContact O-N 3.12Å; E2589-Q2591 VanDerWaalsContact C-N 3.34Å; E2589-Q2591 PolarHBondContact O-N 3.08Å; Q2591-F2593 VanDerWaalsContact C-N 3.3Å; Q2591-F2593 PolarHBondContact O-N 3.09Å; Q2591-Y2594 PolarHBondContact O-N 2.94Å; Q2591-N2595 VanDerWaalsContact CD-ND2 3.29Å; Q2591-N2595 PolarHBondContact NE2-ND2 3.22Å; Q2591-N2595 VanDerWaalsContact NE2-ND2 3.16Å; Q2591-N2595 VanDerWaalsContact O-CB 3.29Å; Q2591-N2595 WeakPolarHBondContact O-CB 3.38Å; Q2591-N2595 VanDerWaalsContact O-CG 3.28Å; Q2591-N2595 PolarHBondContact O-N 3.19Å; Q2591-N2595 VanDerWaalsContact O-N 3.15Å; Q2591-N2595 PolarHBondContact O-ND2 3.22Å; Q2591-N2595 PolarHBondContact O-OD1 2.78Å; Q2591-A2668 PolarHBondContact NE2-O 2.98Å; Q2591-A2668 PolarHBondContact OE1-O 3.06Å; Q2591-L2671 HydrophobicContact CB-CB 4.41Å; Q2591-L2671 HydrophobicContact CB-CD1 4.41Å; Q2591-L2671 VanDerWaalsContact OE1-CB 3.27Å; Q2591-D2672 VanDerWaalsContact NE2-CG 3.32Å; Q2591-D2672 PolarHBondContact NE2-OD1 2.93Å; Q2591-D2672 PolarHBondContact NE2-OD2 3.04Å; Q2591-K2675 HydrophobicContact CB-CD 4.35Å; Q2591-K2675 VanDerWaalsContact OE1-CD 3.25Å; Q2591-S2911 PolarHBondContact NE2-O 3.14Å; Q2591-K2912 HydrophobicContact CG-CG 4.41Å |
| 2592 | E | 68.8 | Low | 64.1 | Low | 93.6 Ų | 93.6 | 52.6 Ų | 52.6 | 44% | 0.437 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.2 | -36.1 | 171.2 | -74.1 | -170.2 | 178.4 | 0 | 0 | 112 | E2588 E2589 Y2590 N2595 R2596 K2983 A2986 I2987 T2990 | E2588-E2592 WeakPolarHBondContact O-CA 3.49Å; E2588-E2592 WeakPolarHBondContact O-CB 3.49Å; E2588-E2592 WeakPolarHBondContact O-CG 3.4Å; E2588-E2592 PolarHBondContact O-N 3.19Å; E2589-E2592 PolarHBondContact O-N 3.38Å; Y2590-E2592 VanDerWaalsContact C-N 3.35Å; Y2590-E2592 PolarHBondContact O-N 3.33Å; E2592-N2595 PolarHBondContact O-N 3.35Å; E2592-R2596 VanDerWaalsContact O-CB 3.3Å; E2592-R2596 WeakPolarHBondContact O-CB 3.29Å; E2592-R2596 WeakPolarHBondContact O-CG 3.32Å; E2592-R2596 PolarHBondContact O-N 3.09Å; E2592-R2596 PolarHBondContact O-NE 3.14Å; E2592-R2596 IonicContact OE2-CZ 2.58Å; E2592-R2596 IonicContact OE2-NH2 3.24Å; E2592-R2596 PolarHBondContact OE2-NH2 2.88Å; E2592-K2983 HydrophobicContact CB-CD 3.99Å; E2592-K2983 HydrophobicContact CB-CG 3.72Å; E2592-K2983 HydrophobicContact CG-CG 4.47Å; E2592-K2983 WeakPolarHBondContact OE2-CE 3.46Å; E2592-A2986 HydrophobicContact CG-CB 3.94Å; E2592-I2987 WeakPolarHBondContact OE1-CA 3.36Å; E2592-I2987 PolarHBondContact OE1-N 3.22Å; E2592-I2987 VanDerWaalsContact OE1-N 3.09Å; E2592-I2987 WeakPolarHBondContact OE2-CG1 3.22Å; E2592-I2987 PolarHBondContact OE2-N 3.2Å; E2592-T2990 WeakPolarHBondContact OE1-CG2 3.36Å; E2592-T2990 PolarHBondContact OE1-OG1 2.84Å |
| 2593 | F | 69.4 | Low | 64.4 | Low | 4.8 Ų | 4.8 | 49.4 Ų | 49.4 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.1 | -50.6 | 177.1 | -177.1 | -102.6 | 0 | 0 | 0 | 112.2 | E2589 Y2590 Q2591 N2595 R2596 I2597 L2608 E2611 I2612 L2613 K2615 T2616 I2642 | E2589-F2593 WeakPolarHBondContact O-CB 3.26Å; E2589-F2593 PolarHBondContact O-N 3.16Å; E2589-F2593 VanDerWaalsContact O-N 3.11Å; Y2590-F2593 WeakPolarHBondContact O-CA 3.46Å; Y2590-F2593 WeakPolarHBondContact O-CB 3.24Å; Y2590-F2593 PolarHBondContact O-N 3.13Å; Y2590-F2593 VanDerWaalsContact O-N 3.09Å; Q2591-F2593 VanDerWaalsContact C-N 3.3Å; Q2591-F2593 PolarHBondContact O-N 3.09Å; F2593-N2595 VanDerWaalsContact C-N 3.33Å; F2593-N2595 PolarHBondContact O-N 3.11Å; F2593-R2596 WeakPolarHBondContact O-CB 3.3Å; F2593-R2596 PolarHBondContact O-N 3.14Å; F2593-R2596 VanDerWaalsContact O-N 3.14Å; F2593-I2597 HydrophobicContact CD1-CD1 3.84Å; F2593-I2597 VanDerWaalsContact CD1-CD1 3.43Å; F2593-I2597 HydrophobicContact CD1-CG1 4.32Å; F2593-I2597 HydrophobicContact CE1-CD1 3.5Å; F2593-I2597 VanDerWaalsContact CE1-CD1 3.45Å; F2593-I2597 HydrophobicContact CE1-CG1 4.36Å; F2593-I2597 HydrophobicContact CE2-CD1 4.3Å; F2593-I2597 HydrophobicContact CG-CD1 4.41Å; F2593-I2597 HydrophobicContact CZ-CD1 3.92Å; F2593-I2597 HydrophobicContact CZ-CG1 4.35Å; F2593-I2597 WeakPolarHBondContact O-CD1 3.02Å; F2593-I2597 VanDerWaalsContact O-CG1 3.23Å; F2593-I2597 WeakPolarHBondContact O-CG1 3.12Å; F2593-I2597 PolarHBondContact O-N 3.22Å; F2593-I2597 VanDerWaalsContact O-N 3.1Å; F2593-L2608 HydrophobicContact CE2-CD1 4.33Å; F2593-E2611 HydrophobicContact CD2-CG 4.28Å; F2593-E2611 HydrophobicContact CE2-CB 3.87Å; F2593-E2611 VanDerWaalsContact CE2-CD 3.41Å; F2593-E2611 HydrophobicContact CE2-CG 3.51Å; F2593-E2611 WeakPolarHBondContact CE2-OE1 3.29Å; F2593-E2611 WeakPolarHBondContact CE2-OE2 3.3Å; F2593-E2611 HydrophobicContact CZ-CB 3.84Å; F2593-E2611 HydrophobicContact CZ-CG 3.8Å; F2593-I2612 HydrophobicContact CE1-CB 4.36Å; F2593-I2612 HydrophobicContact CE1-CG1 3.98Å; F2593-I2612 HydrophobicContact CZ-CB 4.33Å; F2593-I2612 HydrophobicContact CZ-CG1 3.67Å; F2593-L2613 HydrophobicContact CB-CD1 4.36Å; F2593-L2613 HydrophobicContact CD1-CB 4.39Å; F2593-L2613 HydrophobicContact CD1-CD1 3.59Å; F2593-L2613 HydrophobicContact CE1-CD1 4.34Å; F2593-L2613 HydrophobicContact CG-CD1 4.37Å; F2593-K2615 HydrophobicContact CB-CD 4.24Å; F2593-K2615 HydrophobicContact CD1-CB 4.19Å; F2593-K2615 HydrophobicContact CD1-CD 3.69Å; F2593-K2615 HydrophobicContact CD1-CG 4.33Å; F2593-K2615 HydrophobicContact CD2-CD 3.96Å; F2593-K2615 HydrophobicContact CE1-CB 4.01Å; F2593-K2615 HydrophobicContact CE1-CD 3.93Å; F2593-K2615 HydrophobicContact CE1-CG 4.22Å; F2593-K2615 HydrophobicContact CE2-CD 4.2Å; F2593-K2615 HydrophobicContact CG-CD 3.69Å; F2593-K2615 HydrophobicContact CG-CG 4.46Å; F2593-K2615 HydrophobicContact CZ-CB 4.49Å; F2593-K2615 HydrophobicContact CZ-CD 4.17Å; F2593-K2615 HydrophobicContact CZ-CG 4.34Å; F2593-T2616 HydrophobicContact CE1-CG2 4Å; F2593-T2616 WeakPolarHBondContact CE1-OG1 3.44Å; F2593-T2616 HydrophobicContact CE2-CG2 3.96Å; F2593-T2616 HydrophobicContact CZ-CG2 3.44Å; F2593-T2616 VanDerWaalsContact CZ-CG2 3.44Å; F2593-T2616 VanDerWaalsContact CZ-OG1 3.23Å; F2593-T2616 WeakPolarHBondContact CZ-OG1 3.44Å; F2593-I2642 HydrophobicContact CD2-CD1 3.6Å; F2593-I2642 HydrophobicContact CD2-CG1 4.36Å; F2593-I2642 HydrophobicContact CE2-CD1 3.19Å; F2593-I2642 HydrophobicContact CE2-CG1 3.56Å; F2593-I2642 HydrophobicContact CZ-CD1 3.85Å; F2593-I2642 HydrophobicContact CZ-CG1 3.67Å |
| 2594 | Y | 68.4 | Low | 64.4 | Low | 1.8 Ų | 1.8 | 53.6 Ų | 53.6 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.4 | -34.8 | 176.5 | -84.8 | -78.6 | 0 | 0 | 0 | 112.5 | N2510 I2513 Y2590 Q2591 R2596 I2597 R2598 A2609 L2613 T2616 L2619 I2633 V2664 F2667 L2671 | N2510-Y2594 WeakPolarHBondContact OD1-CE1 3.47Å; I2513-Y2594 WeakPolarHBondContact CD1-OH 3.3Å; I2513-Y2594 HydrophobicContact CG2-CD1 4.39Å; I2513-Y2594 HydrophobicContact CG2-CD2 4.27Å; I2513-Y2594 HydrophobicContact CG2-CE1 3.94Å; I2513-Y2594 HydrophobicContact CG2-CE2 3.82Å; Y2590-Y2594 HydrophobicContact CD1-CE2 4.44Å; Y2590-Y2594 VanDerWaalsContact O-CB 3.27Å; Y2590-Y2594 WeakPolarHBondContact O-CB 3.29Å; Y2590-Y2594 WeakPolarHBondContact O-CD2 3.29Å; Y2590-Y2594 PolarHBondContact O-N 3.09Å; Q2591-Y2594 PolarHBondContact O-N 2.94Å; Y2594-R2596 VanDerWaalsContact C-N 3.33Å; Y2594-R2596 PolarHBondContact O-N 3.1Å; Y2594-I2597 HydrophobicContact CD1-CD1 3.94Å; Y2594-I2597 HydrophobicContact CE1-CD1 4.22Å; Y2594-I2597 PolarHBondContact O-N 2.89Å; Y2594-R2598 VanDerWaalsContact O-CB 3.28Å; Y2594-R2598 WeakPolarHBondContact O-CB 3.34Å; Y2594-R2598 PolarHBondContact O-N 3.15Å; Y2594-A2609 HydrophobicContact CE2-CB 4.25Å; Y2594-L2613 HydrophobicContact CD2-CD2 3.78Å; Y2594-L2613 HydrophobicContact CG-CD2 4.06Å; Y2594-T2616 VanDerWaalsContact OH-CA 3.3Å; Y2594-T2616 WeakPolarHBondContact OH-CA 3.18Å; Y2594-T2616 WeakPolarHBondContact OH-CB 3.42Å; Y2594-T2616 WeakPolarHBondContact OH-CG2 3.34Å; Y2594-T2616 PolarHBondContact OH-N 2.92Å; Y2594-T2616 PolarHBondContact OH-OG1 3.34Å; Y2594-L2619 HydrophobicContact CE2-CD2 3.97Å; Y2594-I2633 HydrophobicContact CE1-CD1 4.17Å; Y2594-V2664 HydrophobicContact CD1-CG1 4.46Å; Y2594-F2667 HydrophobicContact CD1-CB 4.42Å; Y2594-F2667 HydrophobicContact CG-CB 4.41Å; Y2594-L2671 HydrophobicContact CD2-CD1 3.77Å; Y2594-L2671 HydrophobicContact CE2-CD1 3.97Å |
| 2595 | N | 69.4 | Low | 64.2 | Low | 44.4 Ų | 44.4 | 54.1 Ų | 54.1 | 24% | 0.237 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 172.5 | -76.6 | -37.7 | 0 | 0 | 0 | 112 | Q2591 E2592 F2593 I2597 R2598 T2599 K2912 S2913 V2915 | Q2591-N2595 VanDerWaalsContact CD-ND2 3.29Å; Q2591-N2595 PolarHBondContact NE2-ND2 3.22Å; Q2591-N2595 VanDerWaalsContact NE2-ND2 3.16Å; Q2591-N2595 VanDerWaalsContact O-CB 3.29Å; Q2591-N2595 WeakPolarHBondContact O-CB 3.38Å; Q2591-N2595 VanDerWaalsContact O-CG 3.28Å; Q2591-N2595 PolarHBondContact O-N 3.19Å; Q2591-N2595 VanDerWaalsContact O-N 3.15Å; Q2591-N2595 PolarHBondContact O-ND2 3.22Å; Q2591-N2595 PolarHBondContact O-OD1 2.78Å; E2592-N2595 PolarHBondContact O-N 3.35Å; F2593-N2595 VanDerWaalsContact C-N 3.33Å; F2593-N2595 PolarHBondContact O-N 3.11Å; N2595-I2597 PolarHBondContact O-N 3.18Å; N2595-R2598 CarbonylContact O-C 3.5Å; N2595-R2598 WeakPolarHBondContact O-CA 3.36Å; N2595-R2598 PolarHBondContact O-N 3.33Å; N2595-T2599 VanDerWaalsContact C-OG1 3.3Å; N2595-T2599 HydrophobicContact CB-CG2 4.46Å; N2595-T2599 WeakPolarHBondContact O-CB 3.41Å; N2595-T2599 WeakPolarHBondContact O-CG2 3.43Å; N2595-T2599 PolarHBondContact O-N 3.08Å; N2595-T2599 VanDerWaalsContact O-N 3.13Å; N2595-T2599 PolarHBondContact O-OG1 3.2Å; N2595-T2599 VanDerWaalsContact O-OG1 3.11Å; N2595-K2912 WeakPolarHBondContact OD1-CE 3.32Å; N2595-S2913 PolarHBondContact ND2-O 2.94Å; N2595-V2915 HydrophobicContact CB-CB 4.42Å; N2595-V2915 HydrophobicContact CB-CG2 4.02Å |
| 2596 | R | 65.1 | Low | 63.7 | Low | 110.2 Ų | 110.2 | 52.4 Ų | 52.4 | 42% | 0.416 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 172.9 | -78.9 | -179.7 | -131.1 | 161.1 | -2.6 | 112.1 | E2592 F2593 Y2594 R2598 T2599 S2600 E2635 C2639 S2979 S2980 K2983 | E2592-R2596 VanDerWaalsContact O-CB 3.3Å; E2592-R2596 WeakPolarHBondContact O-CB 3.29Å; E2592-R2596 WeakPolarHBondContact O-CG 3.32Å; E2592-R2596 PolarHBondContact O-N 3.09Å; E2592-R2596 PolarHBondContact O-NE 3.14Å; E2592-R2596 IonicContact OE2-CZ 2.58Å; E2592-R2596 IonicContact OE2-NH2 3.24Å; E2592-R2596 PolarHBondContact OE2-NH2 2.88Å; F2593-R2596 WeakPolarHBondContact O-CB 3.3Å; F2593-R2596 PolarHBondContact O-N 3.14Å; F2593-R2596 VanDerWaalsContact O-N 3.14Å; Y2594-R2596 VanDerWaalsContact C-N 3.33Å; Y2594-R2596 PolarHBondContact O-N 3.1Å; R2596-R2598 VanDerWaalsContact C-N 3.34Å; R2596-R2598 PolarHBondContact O-N 2.98Å; R2596-T2599 VanDerWaalsContact CA-OG1 3.29Å; R2596-T2599 WeakPolarHBondContact CA-OG1 3.37Å; R2596-T2599 PolarHBondContact O-N 3.28Å; R2596-T2599 VanDerWaalsContact O-N 3.09Å; R2596-T2599 PolarHBondContact O-OG1 2.97Å; R2596-T2599 VanDerWaalsContact O-OG1 3.1Å; R2596-S2600 WeakPolarHBondContact O-CB 3.15Å; R2596-S2600 PolarHBondContact O-N 3.16Å; R2596-S2600 PolarHBondContact O-OG 3.37Å; R2596-E2635 IonicContact CZ-OE1 2.88Å; R2596-E2635 IonicContact NH1-OE1 3.96Å; R2596-E2635 PolarHBondContact NH1-OE1 3.12Å; R2596-E2635 IonicContact NH2-OE1 2.77Å; R2596-C2639 VanDerWaalsContact CZ-SG 3.52Å; R2596-C2639 PolarHBondContact NH2-SG 2.88Å; R2596-S2979 WeakPolarHBondContact CA-OG 3.3Å; R2596-S2979 WeakPolarHBondContact CG-O 3.46Å; R2596-S2979 PolarHBondContact NE-O 3.41Å; R2596-S2979 WeakPolarHBondContact O-CB 3.42Å; R2596-S2979 PolarHBondContact O-OG 3.41Å; R2596-S2980 PolarHBondContact NH2-O 3.27Å; R2596-K2983 HydrophobicContact CG-CB 3.88Å; R2596-K2983 HydrophobicContact CG-CD 4.19Å; R2596-K2983 HydrophobicContact CG-CG 4.1Å; R2596-K2983 VanDerWaalsContact CZ-CB 3.43Å; R2596-K2983 VanDerWaalsContact NH1-CD 3.31Å |
| 2597 | I | 64.7 | Low | 63.3 | Low | 2.8 Ų | 2.8 | 52.4 Ų | 52.4 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 178 | -57.6 | 158.6 | 0 | 0 | 0 | 110.7 | F2593 Y2594 N2595 T2599 S2600 K2601 I2603 L2608 A2609 I2612 L2613 L2656 V2664 | F2593-I2597 HydrophobicContact CD1-CD1 3.84Å; F2593-I2597 VanDerWaalsContact CD1-CD1 3.43Å; F2593-I2597 HydrophobicContact CD1-CG1 4.32Å; F2593-I2597 HydrophobicContact CE1-CD1 3.5Å; F2593-I2597 VanDerWaalsContact CE1-CD1 3.45Å; F2593-I2597 HydrophobicContact CE1-CG1 4.36Å; F2593-I2597 HydrophobicContact CE2-CD1 4.3Å; F2593-I2597 HydrophobicContact CG-CD1 4.41Å; F2593-I2597 HydrophobicContact CZ-CD1 3.92Å; F2593-I2597 HydrophobicContact CZ-CG1 4.35Å; F2593-I2597 WeakPolarHBondContact O-CD1 3.02Å; F2593-I2597 VanDerWaalsContact O-CG1 3.23Å; F2593-I2597 WeakPolarHBondContact O-CG1 3.12Å; F2593-I2597 PolarHBondContact O-N 3.22Å; F2593-I2597 VanDerWaalsContact O-N 3.1Å; Y2594-I2597 HydrophobicContact CD1-CD1 3.94Å; Y2594-I2597 HydrophobicContact CE1-CD1 4.22Å; Y2594-I2597 PolarHBondContact O-N 2.89Å; N2595-I2597 PolarHBondContact O-N 3.18Å; I2597-T2599 VanDerWaalsContact C-N 3.27Å; I2597-T2599 PolarHBondContact O-N 2.89Å; I2597-S2600 WeakPolarHBondContact CA-OG 3.45Å; I2597-S2600 PolarHBondContact O-N 3.08Å; I2597-S2600 VanDerWaalsContact O-N 3.09Å; I2597-S2600 PolarHBondContact O-OG 3.05Å; I2597-S2600 VanDerWaalsContact O-OG 3.1Å; I2597-K2601 PolarHBondContact O-N 3.24Å; I2597-I2603 HydrophobicContact CG2-CB 4.4Å; I2597-I2603 HydrophobicContact CG2-CD1 3.47Å; I2597-I2603 VanDerWaalsContact CG2-CD1 3.47Å; I2597-I2603 HydrophobicContact CG2-CG2 3.99Å; I2597-I2603 WeakPolarHBondContact O-CB 3.37Å; I2597-L2608 HydrophobicContact CG1-CD2 4.34Å; I2597-A2609 HydrophobicContact CB-CB 4.06Å; I2597-A2609 HydrophobicContact CG2-CB 3.67Å; I2597-I2612 HydrophobicContact CD1-CB 4.02Å; I2597-I2612 HydrophobicContact CD1-CD1 3.91Å; I2597-I2612 HydrophobicContact CD1-CG1 3.54Å; I2597-I2612 HydrophobicContact CD1-CG2 3.98Å; I2597-I2612 HydrophobicContact CG1-CD1 4.17Å; I2597-I2612 HydrophobicContact CG1-CG1 4.24Å; I2597-I2612 HydrophobicContact CG1-CG2 4.17Å; I2597-I2612 HydrophobicContact CG2-CB 4.27Å; I2597-I2612 HydrophobicContact CG2-CD1 4.31Å; I2597-I2612 HydrophobicContact CG2-CG2 4.41Å; I2597-L2613 HydrophobicContact CD1-CB 4.15Å; I2597-L2656 HydrophobicContact CG2-CD1 3.85Å; I2597-V2664 HydrophobicContact CB-CG1 4.35Å; I2597-V2664 HydrophobicContact CG2-CG1 4.16Å; I2597-V2664 HydrophobicContact CG2-CG2 4.45Å |
| 2598 | R | 63.9 | Low | 63 | Low | 101.4 Ų | 101.4 | 54.1 Ų | 54.1 | 38% | 0.383 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.4 | -32.2 | 176.2 | -175.7 | 177.3 | -168.9 | -168.9 | 5.3 | 112.8 | D2506 N2510 Y2594 N2595 R2596 A2609 Q2661 V2664 D2665 | D2506-R2598 IonicContact OD1-CZ 2.74Å; D2506-R2598 IonicContact OD1-NH1 2.82Å; D2506-R2598 PolarHBondContact OD1-NH1 3.33Å; D2506-R2598 IonicContact OD1-NH2 3.88Å; D2506-R2598 PolarHBondContact OD1-NH2 3.36Å; D2506-R2598 IonicContact OD2-CZ 3.85Å; D2506-R2598 IonicContact OD2-NH2 3.4Å; D2506-R2598 PolarHBondContact OD2-NH2 3.37Å; N2510-R2598 PolarHBondContact ND2-NH1 2.81Å; N2510-R2598 PolarHBondContact OD1-NH1 3.26Å; Y2594-R2598 VanDerWaalsContact O-CB 3.28Å; Y2594-R2598 WeakPolarHBondContact O-CB 3.34Å; Y2594-R2598 PolarHBondContact O-N 3.15Å; N2595-R2598 CarbonylContact O-C 3.5Å; N2595-R2598 WeakPolarHBondContact O-CA 3.36Å; N2595-R2598 PolarHBondContact O-N 3.33Å; R2596-R2598 VanDerWaalsContact C-N 3.34Å; R2596-R2598 PolarHBondContact O-N 2.98Å; R2598-A2609 HydrophobicContact CB-CB 4.46Å; R2598-Q2661 PolarHBondContact O-NE2 2.75Å; R2598-V2664 HydrophobicContact CB-CG1 4.29Å; R2598-D2665 VanDerWaalsContact CD-OD1 3.22Å; R2598-D2665 WeakPolarHBondContact CD-OD1 3.46Å; R2598-D2665 VanDerWaalsContact CG-OD1 3.23Å; R2598-D2665 WeakPolarHBondContact CG-OD1 3.28Å; R2598-D2665 IonicContact CZ-OD1 2.87Å; R2598-D2665 IonicContact CZ-OD2 2.59Å; R2598-D2665 VanDerWaalsContact CZ-OD2 3.23Å; R2598-D2665 IonicContact NE-OD1 3.04Å; R2598-D2665 PolarHBondContact NE-OD1 2.83Å; R2598-D2665 IonicContact NE-OD2 2.71Å; R2598-D2665 PolarHBondContact NE-OD2 3.06Å; R2598-D2665 IonicContact NH2-OD1 2.77Å; R2598-D2665 PolarHBondContact NH2-OD1 2.8Å; R2598-D2665 IonicContact NH2-OD2 3.06Å; R2598-D2665 PolarHBondContact NH2-OD2 3.29Å |
| 2599 | T | 63 | Low | 62.5 | Low | 94.8 Ų | 94.8 | 51.2 Ų | 51.2 | 58% | 0.582 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -88.6 | -29 | 179.3 | 51.4 | 0 | 0 | 0 | 0 | 113.9 | N2595 R2596 I2597 I2914 V2915 K2916 E2917 S2979 | N2595-T2599 VanDerWaalsContact C-OG1 3.3Å; N2595-T2599 HydrophobicContact CB-CG2 4.46Å; N2595-T2599 WeakPolarHBondContact O-CB 3.41Å; N2595-T2599 WeakPolarHBondContact O-CG2 3.43Å; N2595-T2599 PolarHBondContact O-N 3.08Å; N2595-T2599 VanDerWaalsContact O-N 3.13Å; N2595-T2599 PolarHBondContact O-OG1 3.2Å; N2595-T2599 VanDerWaalsContact O-OG1 3.11Å; R2596-T2599 VanDerWaalsContact CA-OG1 3.29Å; R2596-T2599 WeakPolarHBondContact CA-OG1 3.37Å; R2596-T2599 PolarHBondContact O-N 3.28Å; R2596-T2599 VanDerWaalsContact O-N 3.09Å; R2596-T2599 PolarHBondContact O-OG1 2.97Å; R2596-T2599 VanDerWaalsContact O-OG1 3.1Å; I2597-T2599 VanDerWaalsContact C-N 3.27Å; I2597-T2599 PolarHBondContact O-N 2.89Å; T2599-I2914 HydrophobicContact CG2-CG2 4.23Å; T2599-V2915 VanDerWaalsContact CB-C 3.47Å; T2599-V2915 WeakPolarHBondContact CB-O 3.14Å; T2599-V2915 PolarHBondContact OG1-O 3.03Å; T2599-K2916 HydrophobicContact CG2-CG 4.16Å; T2599-E2917 WeakPolarHBondContact O-CB 3.25Å; T2599-E2917 PolarHBondContact O-N 2.83Å; T2599-E2917 VanDerWaalsContact O-N 3.08Å; T2599-S2979 WeakPolarHBondContact OG1-CB 3.46Å |
| 2600 | S | 57.7 | Low | 61.9 | Low | 39 Ų | 39 | 49.9 Ų | 49.9 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72.5 | -28.1 | 175.5 | 66.2 | 0 | 0 | 0 | 0 | 112.7 | R2596 I2597 D2602 I2603 I2646 E2917 | R2596-S2600 WeakPolarHBondContact O-CB 3.15Å; R2596-S2600 PolarHBondContact O-N 3.16Å; R2596-S2600 PolarHBondContact O-OG 3.37Å; I2597-S2600 WeakPolarHBondContact CA-OG 3.45Å; I2597-S2600 PolarHBondContact O-N 3.08Å; I2597-S2600 VanDerWaalsContact O-N 3.09Å; I2597-S2600 PolarHBondContact O-OG 3.05Å; I2597-S2600 VanDerWaalsContact O-OG 3.1Å; S2600-D2602 PolarHBondContact O-N 3.01Å; S2600-D2602 PolarHBondContact OG-O 2.97Å; S2600-D2602 VanDerWaalsContact OG-O 3.14Å; S2600-I2603 PolarHBondContact O-N 2.66Å; S2600-I2603 VanDerWaalsContact O-N 3.17Å; S2600-I2646 VanDerWaalsContact CB-CD1 3.45Å; S2600-I2646 WeakPolarHBondContact OG-CD1 3.32Å; S2600-I2646 WeakPolarHBondContact OG-CG1 3.38Å; S2600-E2917 WeakPolarHBondContact CA-OE1 3.39Å |
| 2601 | K | 57.3 | Low | 61.4 | Low | 124.2 Ų | 124.2 | 52.7 Ų | 52.7 | 54% | 0.54 | 26% | 0.264 | S | S | . | . | trans | 46.5 | -28.6 | -171.5 | -62.4 | -177.8 | 174.8 | -171.1 | 0 | 115.5 | I2597 I2603 L2656 Q2661 E2917 D2919 | I2597-K2601 PolarHBondContact O-N 3.24Å; K2601-I2603 PolarHBondContact O-N 2.63Å; K2601-L2656 WeakPolarHBondContact O-CG 3.47Å; K2601-L2656 PolarHBondContact O-N 3.06Å; K2601-L2656 VanDerWaalsContact O-N 3.14Å; K2601-Q2661 VanDerWaalsContact NZ-OE1 3.1Å; K2601-E2917 WeakPolarHBondContact CB-OE2 3.12Å; K2601-E2917 HydrophobicContact CD-CG 4.4Å; K2601-E2917 WeakPolarHBondContact CD-OE2 3.32Å; K2601-E2917 HydrophobicContact CG-CB 4.26Å; K2601-E2917 WeakPolarHBondContact CG-OE2 3.41Å; K2601-E2917 PolarHBondContact N-OE2 2.94Å; K2601-D2919 IonicContact NZ-OD1 3.62Å; K2601-D2919 PolarHBondContact NZ-OD1 3.06Å; K2601-D2919 IonicContact NZ-OD2 2.73Å; K2601-D2919 PolarHBondContact NZ-OD2 2.79Å | ||
| 2602 | D | 56.6 | Low | 61.1 | Low | 69 Ų | 69 | 52.2 Ų | 52.2 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 131.2 | 178.6 | -58.7 | -27.8 | 0 | 0 | 0 | 110.5 | S2600 V2604 I2646 P2653 L2654 A2655 | S2600-D2602 PolarHBondContact O-N 3.01Å; S2600-D2602 PolarHBondContact OG-O 2.97Å; S2600-D2602 VanDerWaalsContact OG-O 3.14Å; D2602-V2604 HydrophobicContact CB-CG1 4.43Å; D2602-V2604 WeakPolarHBondContact O-CG2 3.25Å; D2602-V2604 PolarHBondContact O-N 3.01Å; D2602-I2646 HydrophobicContact CB-CG2 3.98Å; D2602-I2646 VanDerWaalsContact CB-O 3.27Å; D2602-I2646 WeakPolarHBondContact CB-O 3.3Å; D2602-I2646 VanDerWaalsContact OD2-CG2 3.25Å; D2602-I2646 WeakPolarHBondContact OD2-CG2 3.27Å; D2602-P2653 HydrophobicContact CB-CB 4.11Å; D2602-L2654 CarbonylContact C-O 3.55Å; D2602-L2654 VanDerWaalsContact CA-O 3.32Å; D2602-L2654 WeakPolarHBondContact CA-O 3.34Å; D2602-A2655 VanDerWaalsContact OD1-CA 3.29Å; D2602-A2655 WeakPolarHBondContact OD1-CA 3.24Å; D2602-A2655 WeakPolarHBondContact OD1-CB 3.31Å |
| 2603 | I | 60.9 | Low | 60.8 | Low | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 100.9 | 170.2 | -56 | 176.2 | 0 | 0 | 0 | 107.6 | I2597 S2600 K2601 N2605 L2608 A2609 I2612 L2641 M2644 I2646 F2652 P2653 L2654 L2656 | I2597-I2603 HydrophobicContact CG2-CB 4.4Å; I2597-I2603 HydrophobicContact CG2-CD1 3.47Å; I2597-I2603 VanDerWaalsContact CG2-CD1 3.47Å; I2597-I2603 HydrophobicContact CG2-CG2 3.99Å; I2597-I2603 WeakPolarHBondContact O-CB 3.37Å; S2600-I2603 PolarHBondContact O-N 2.66Å; S2600-I2603 VanDerWaalsContact O-N 3.17Å; K2601-I2603 PolarHBondContact O-N 2.63Å; I2603-N2605 PolarHBondContact O-N 3.34Å; I2603-L2608 HydrophobicContact CB-CD2 4.37Å; I2603-L2608 HydrophobicContact CG1-CD2 4.38Å; I2603-L2608 HydrophobicContact CG2-CB 4.22Å; I2603-L2608 HydrophobicContact CG2-CD2 4.16Å; I2603-L2608 HydrophobicContact CG2-CG 4.35Å; I2603-A2609 HydrophobicContact CG2-CB 3.96Å; I2603-I2612 HydrophobicContact CD1-CD1 3.65Å; I2603-I2612 HydrophobicContact CG1-CD1 3.84Å; I2603-I2612 HydrophobicContact CG2-CD1 4.27Å; I2603-L2641 HydrophobicContact CD1-CD2 3.71Å; I2603-M2644 HydrophobicContact CB-CE 4.36Å; I2603-M2644 HydrophobicContact CD1-CE 4.11Å; I2603-M2644 HydrophobicContact CG2-CE 4.41Å; I2603-M2644 HydrophobicContact CG2-SD 4.18Å; I2603-I2646 HydrophobicContact CD1-CB 4.41Å; I2603-I2646 HydrophobicContact CD1-CG1 3.62Å; I2603-I2646 HydrophobicContact CG1-CG1 4.42Å; I2603-F2652 HydrophobicContact CG2-CD1 4.12Å; I2603-F2652 HydrophobicContact CG2-CE1 3.93Å; I2603-F2652 VanDerWaalsContact O-CD1 3.31Å; I2603-F2652 WeakPolarHBondContact O-CD1 3.34Å; I2603-P2653 CarbonylContact O-C 3.55Å; I2603-P2653 VanDerWaalsContact O-CA 3.25Å; I2603-P2653 WeakPolarHBondContact O-CA 3.3Å; I2603-L2654 HydrophobicContact CB-CB 4.36Å; I2603-L2654 HydrophobicContact CD1-CD2 4.34Å; I2603-L2654 PolarHBondContact N-O 3.12Å; I2603-L2654 PolarHBondContact O-N 3.17Å; I2603-L2656 HydrophobicContact CD1-CD2 4.07Å; I2603-L2656 HydrophobicContact CG1-CD2 4.35Å |
| 2604 | V | 57.7 | Low | 60.3 | Low | 99.8 Ų | 99.8 | 51 Ų | 51 | 61% | 0.605 | 26% | 0.256 | S | S | * | . | trans | -81.2 | -19.4 | -168.4 | -149.8 | 0 | 0 | 0 | 0 | 114 | D2602 L2608 F2652 P2653 | D2602-V2604 HydrophobicContact CB-CG1 4.43Å; D2602-V2604 WeakPolarHBondContact O-CG2 3.25Å; D2602-V2604 PolarHBondContact O-N 3.01Å; V2604-L2608 HydrophobicContact CG2-CD2 4.42Å; V2604-F2652 WeakPolarHBondContact O-CB 3.36Å; V2604-P2653 HydrophobicContact CG1-CB 4.41Å | ||
| 2605 | N | 58 | Low | 60.1 | Low | 73 Ų | 73 | 52.6 Ų | 52.6 | 39% | 0.39 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -145.5 | 157.4 | -179.3 | 76.1 | 20.7 | 0 | 0 | 0 | 113 | I2603 T2607 L2608 A2609 F2652 | I2603-N2605 PolarHBondContact O-N 3.34Å; N2605-T2607 VanDerWaalsContact C-N 3.31Å; N2605-T2607 PolarHBondContact O-N 3.19Å; N2605-T2607 VanDerWaalsContact OD1-CB 3.28Å; N2605-T2607 WeakPolarHBondContact OD1-CB 3.3Å; N2605-T2607 PolarHBondContact OD1-N 3.2Å; N2605-T2607 PolarHBondContact OD1-OG1 2.89Å; N2605-L2608 HydrophobicContact CB-CB 3.88Å; N2605-L2608 WeakPolarHBondContact O-CB 3.26Å; N2605-L2608 PolarHBondContact O-N 3.09Å; N2605-L2608 VanDerWaalsContact OD1-CB 3.27Å; N2605-L2608 WeakPolarHBondContact OD1-CB 3.29Å; N2605-L2608 PolarHBondContact OD1-N 3.17Å; N2605-A2609 PolarHBondContact O-N 3.17Å; N2605-A2609 VanDerWaalsContact O-N 3.13Å; N2605-F2652 VanDerWaalsContact C-CD1 3.45Å; N2605-F2652 VanDerWaalsContact C-CG 3.43Å; N2605-F2652 VanDerWaalsContact CA-CE1 3.48Å; N2605-F2652 VanDerWaalsContact CA-CG 3.48Å; N2605-F2652 VanDerWaalsContact N-CD1 3.32Å; N2605-F2652 WeakPolarHBondContact O-CD1 3.39Å; N2605-F2652 WeakPolarHBondContact O-CE1 3.3Å |
| 2606 | S | 51.6 | Low | 59.8 | Low | 25.8 Ų | 25.8 | 50.9 Ų | 50.9 | 18% | 0.18 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.7 | -35.1 | 177 | 51.3 | 0 | 0 | 0 | 0 | 113.2 | L2608 A2609 Y2610 L2645 E2649 F2652 | S2606-L2608 PolarHBondContact O-N 3.3Å; S2606-A2609 WeakPolarHBondContact O-CB 3.27Å; S2606-A2609 PolarHBondContact O-N 3.25Å; S2606-Y2610 WeakPolarHBondContact O-CB 3.23Å; S2606-Y2610 WeakPolarHBondContact O-CD2 3.29Å; S2606-Y2610 PolarHBondContact O-N 3.13Å; S2606-L2645 WeakPolarHBondContact O-CD2 3.43Å; S2606-E2649 WeakPolarHBondContact CB-OE1 3.19Å; S2606-E2649 PolarHBondContact OG-OE1 2.91Å; S2606-F2652 VanDerWaalsContact CA-CE2 3.5Å; S2606-F2652 VanDerWaalsContact CA-CZ 3.42Å; S2606-F2652 VanDerWaalsContact N-CE1 3.32Å; S2606-F2652 VanDerWaalsContact N-CZ 3.3Å |
| 2607 | T | 53.6 | Low | 59.5 | Low | 42.8 Ų | 42.8 | 47.6 Ų | 47.6 | 26% | 0.263 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.9 | -46.4 | 175.8 | -44.5 | 0 | 0 | 0 | 0 | 111.5 | L2541 Q2544 Q2555 F2562 I2566 N2605 A2609 Y2610 E2611 | L2541-T2607 HydrophobicContact CD2-CG2 4Å; Q2544-T2607 PolarHBondContact OE1-OG1 2.93Å; Q2544-T2607 VanDerWaalsContact OE1-OG1 3.04Å; Q2555-T2607 VanDerWaalsContact OE1-CG2 3.26Å; F2562-T2607 HydrophobicContact CE1-CG2 3.58Å; F2562-T2607 WeakPolarHBondContact CE1-OG1 3.41Å; F2562-T2607 HydrophobicContact CE2-CG2 4.46Å; F2562-T2607 VanDerWaalsContact CE2-OG1 3.23Å; F2562-T2607 WeakPolarHBondContact CE2-OG1 3.47Å; F2562-T2607 VanDerWaalsContact CZ-CB 3.46Å; F2562-T2607 HydrophobicContact CZ-CG2 3.3Å; F2562-T2607 WeakPolarHBondContact CZ-OG1 2.91Å; I2566-T2607 HydrophobicContact CD1-CG2 3.89Å; N2605-T2607 VanDerWaalsContact C-N 3.31Å; N2605-T2607 PolarHBondContact O-N 3.19Å; N2605-T2607 VanDerWaalsContact OD1-CB 3.28Å; N2605-T2607 WeakPolarHBondContact OD1-CB 3.3Å; N2605-T2607 PolarHBondContact OD1-N 3.2Å; N2605-T2607 PolarHBondContact OD1-OG1 2.89Å; T2607-A2609 VanDerWaalsContact C-N 3.33Å; T2607-A2609 PolarHBondContact O-N 2.82Å; T2607-Y2610 WeakPolarHBondContact O-CB 3.23Å; T2607-Y2610 PolarHBondContact O-N 3.09Å; T2607-Y2610 VanDerWaalsContact O-N 3.15Å; T2607-E2611 WeakPolarHBondContact O-CB 3.3Å; T2607-E2611 PolarHBondContact O-N 3.2Å |
| 2608 | L | 60.5 | Low | 59.3 | Low | 43 Ų | 43 | 49.1 Ų | 49.1 | 23% | 0.225 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.8 | -39.9 | 177.7 | -168.1 | 74.4 | 0 | 0 | 0 | 110.9 | F2593 I2597 I2603 V2604 N2605 S2606 Y2610 E2611 I2612 | F2593-L2608 HydrophobicContact CE2-CD1 4.33Å; I2597-L2608 HydrophobicContact CG1-CD2 4.34Å; I2603-L2608 HydrophobicContact CB-CD2 4.37Å; I2603-L2608 HydrophobicContact CG1-CD2 4.38Å; I2603-L2608 HydrophobicContact CG2-CB 4.22Å; I2603-L2608 HydrophobicContact CG2-CD2 4.16Å; I2603-L2608 HydrophobicContact CG2-CG 4.35Å; V2604-L2608 HydrophobicContact CG2-CD2 4.42Å; N2605-L2608 HydrophobicContact CB-CB 3.88Å; N2605-L2608 WeakPolarHBondContact O-CB 3.26Å; N2605-L2608 PolarHBondContact O-N 3.09Å; N2605-L2608 VanDerWaalsContact OD1-CB 3.27Å; N2605-L2608 WeakPolarHBondContact OD1-CB 3.29Å; N2605-L2608 PolarHBondContact OD1-N 3.17Å; S2606-L2608 PolarHBondContact O-N 3.3Å; L2608-Y2610 VanDerWaalsContact C-N 3.3Å; L2608-Y2610 PolarHBondContact O-N 3.27Å; L2608-E2611 PolarHBondContact O-N 3.2Å; L2608-E2611 VanDerWaalsContact O-N 3.14Å; L2608-I2612 HydrophobicContact CD2-CD1 4.33Å; L2608-I2612 HydrophobicContact CG-CD1 4.22Å; L2608-I2612 WeakPolarHBondContact O-CB 3.33Å; L2608-I2612 WeakPolarHBondContact O-CD1 3.38Å; L2608-I2612 VanDerWaalsContact O-CG1 3.23Å; L2608-I2612 WeakPolarHBondContact O-CG1 3.23Å; L2608-I2612 PolarHBondContact O-N 3.24Å |
| 2609 | A | 59.5 | Low | 59.3 | Low | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.2 | -41.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y2594 I2597 R2598 I2603 N2605 S2606 T2607 I2612 L2613 L2641 M2644 L2645 F2652 | Y2594-A2609 HydrophobicContact CE2-CB 4.25Å; I2597-A2609 HydrophobicContact CB-CB 4.06Å; I2597-A2609 HydrophobicContact CG2-CB 3.67Å; R2598-A2609 HydrophobicContact CB-CB 4.46Å; I2603-A2609 HydrophobicContact CG2-CB 3.96Å; N2605-A2609 PolarHBondContact O-N 3.17Å; N2605-A2609 VanDerWaalsContact O-N 3.13Å; S2606-A2609 WeakPolarHBondContact O-CB 3.27Å; S2606-A2609 PolarHBondContact O-N 3.25Å; T2607-A2609 VanDerWaalsContact C-N 3.33Å; T2607-A2609 PolarHBondContact O-N 2.82Å; A2609-I2612 PolarHBondContact O-N 2.8Å; A2609-L2613 WeakPolarHBondContact O-CB 3.42Å; A2609-L2613 PolarHBondContact O-N 3.23Å; A2609-L2613 VanDerWaalsContact O-N 3.09Å; A2609-L2641 HydrophobicContact CB-CD2 3.89Å; A2609-M2644 HydrophobicContact CB-CE 4.48Å; A2609-M2644 HydrophobicContact CB-SD 3.46Å; A2609-M2644 WeakPolarHBondContact CB-SD 3.31Å; A2609-L2645 HydrophobicContact CB-CD1 4.44Å; A2609-L2645 HydrophobicContact CB-CD2 4.04Å; A2609-L2645 HydrophobicContact CB-CG 4.28Å; A2609-F2652 HydrophobicContact CB-CE1 3.82Å; A2609-F2652 VanDerWaalsContact CB-CE1 3.45Å; A2609-F2652 HydrophobicContact CB-CZ 3.77Å; A2609-F2652 VanDerWaalsContact CB-CZ 3.44Å |
| 2610 | Y | 55.3 | Low | 59.2 | Low | 51.4 Ų | 51.4 | 41.4 Ų | 41.4 | 20% | 0.202 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.2 | -42.2 | 174.1 | -161.6 | -87.9 | 0 | 0 | 0 | 112.1 | I2513 Q2516 V2517 C2540 F2559 S2606 T2607 L2608 I2612 L2613 F2614 L2645 | I2513-Y2610 HydrophobicContact CG2-CD2 3.84Å; I2513-Y2610 HydrophobicContact CG2-CE2 4.25Å; Q2516-Y2610 HydrophobicContact CB-CE2 4.31Å; V2517-Y2610 HydrophobicContact CG2-CE2 4.11Å; C2540-Y2610 HydrophobicContact CB-CE1 4.29Å; C2540-Y2610 WeakPolarHBondContact CB-OH 3.49Å; C2540-Y2610 PolarHBondContact SG-OH 3.31Å; F2559-Y2610 WeakPolarHBondContact CB-OH 3.38Å; F2559-Y2610 HydrophobicContact CD2-CE2 4.45Å; F2559-Y2610 VanDerWaalsContact CG-OH 3.31Å; F2559-Y2610 WeakPolarHBondContact CG-OH 3.5Å; S2606-Y2610 WeakPolarHBondContact O-CB 3.23Å; S2606-Y2610 WeakPolarHBondContact O-CD2 3.29Å; S2606-Y2610 PolarHBondContact O-N 3.13Å; T2607-Y2610 WeakPolarHBondContact O-CB 3.23Å; T2607-Y2610 PolarHBondContact O-N 3.09Å; T2607-Y2610 VanDerWaalsContact O-N 3.15Å; L2608-Y2610 VanDerWaalsContact C-N 3.3Å; L2608-Y2610 PolarHBondContact O-N 3.27Å; Y2610-I2612 VanDerWaalsContact C-N 3.28Å; Y2610-I2612 PolarHBondContact O-N 2.96Å; Y2610-L2613 WeakPolarHBondContact O-CA 3.27Å; Y2610-L2613 PolarHBondContact O-N 3.18Å; Y2610-F2614 HydrophobicContact CD1-CB 4.36Å; Y2610-F2614 HydrophobicContact CE1-CB 4.01Å; Y2610-F2614 HydrophobicContact CE1-CD2 4.42Å; Y2610-F2614 HydrophobicContact CE1-CG 4.37Å; Y2610-F2614 VanDerWaalsContact O-CB 3.28Å; Y2610-F2614 WeakPolarHBondContact O-CB 3.29Å; Y2610-F2614 PolarHBondContact O-N 3.06Å; Y2610-L2645 HydrophobicContact CD1-CD1 3.65Å; Y2610-L2645 HydrophobicContact CD1-CD2 4.13Å; Y2610-L2645 HydrophobicContact CD1-CG 4.41Å; Y2610-L2645 HydrophobicContact CD2-CD1 4.24Å; Y2610-L2645 HydrophobicContact CD2-CD2 3.62Å; Y2610-L2645 HydrophobicContact CE1-CB 4.24Å; Y2610-L2645 HydrophobicContact CE1-CD1 3.75Å; Y2610-L2645 HydrophobicContact CE1-CD2 4.07Å; Y2610-L2645 HydrophobicContact CE1-CG 4.23Å; Y2610-L2645 HydrophobicContact CE2-CD2 3.59Å; Y2610-L2645 HydrophobicContact CG-CD1 4.09Å; Y2610-L2645 HydrophobicContact CG-CD2 3.89Å |
| 2611 | E | 59.1 | Low | 59.2 | Low | 62.6 Ų | 62.6 | 42 Ų | 42 | 29% | 0.293 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.8 | -39.2 | 176.8 | -148 | -175.5 | 166.9 | 0 | 0 | 111.6 | F2593 T2607 L2608 F2614 K2615 | F2593-E2611 HydrophobicContact CD2-CG 4.28Å; F2593-E2611 HydrophobicContact CE2-CB 3.87Å; F2593-E2611 VanDerWaalsContact CE2-CD 3.41Å; F2593-E2611 HydrophobicContact CE2-CG 3.51Å; F2593-E2611 WeakPolarHBondContact CE2-OE1 3.29Å; F2593-E2611 WeakPolarHBondContact CE2-OE2 3.3Å; F2593-E2611 HydrophobicContact CZ-CB 3.84Å; F2593-E2611 HydrophobicContact CZ-CG 3.8Å; T2607-E2611 WeakPolarHBondContact O-CB 3.3Å; T2607-E2611 PolarHBondContact O-N 3.2Å; L2608-E2611 PolarHBondContact O-N 3.2Å; L2608-E2611 VanDerWaalsContact O-N 3.14Å; E2611-F2614 PolarHBondContact O-N 3.24Å; E2611-K2615 HydrophobicContact CG-CD 4.07Å; E2611-K2615 HydrophobicContact CG-CG 4.24Å; E2611-K2615 VanDerWaalsContact O-CB 3.26Å; E2611-K2615 WeakPolarHBondContact O-CB 3.27Å; E2611-K2615 VanDerWaalsContact O-CG 3.27Å; E2611-K2615 WeakPolarHBondContact O-CG 3.28Å; E2611-K2615 PolarHBondContact O-N 3.19Å; E2611-K2615 VanDerWaalsContact OE1-CE 3.28Å; E2611-K2615 WeakPolarHBondContact OE1-CE 3.29Å; E2611-K2615 IonicContact OE1-NZ 2.69Å; E2611-K2615 PolarHBondContact OE1-NZ 3.02Å |
| 2612 | I | 63.8 | Low | 59.3 | Low | 8.4 Ų | 8.4 | 36.8 Ų | 36.8 | 4% | 0.043 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.9 | -50.2 | 174.2 | -67.1 | 164.2 | 0 | 0 | 0 | 110.1 | F2593 I2597 I2603 L2608 A2609 Y2610 F2614 K2615 T2616 I2633 L2641 L2645 | F2593-I2612 HydrophobicContact CE1-CB 4.36Å; F2593-I2612 HydrophobicContact CE1-CG1 3.98Å; F2593-I2612 HydrophobicContact CZ-CB 4.33Å; F2593-I2612 HydrophobicContact CZ-CG1 3.67Å; I2597-I2612 HydrophobicContact CD1-CB 4.02Å; I2597-I2612 HydrophobicContact CD1-CD1 3.91Å; I2597-I2612 HydrophobicContact CD1-CG1 3.54Å; I2597-I2612 HydrophobicContact CD1-CG2 3.98Å; I2597-I2612 HydrophobicContact CG1-CD1 4.17Å; I2597-I2612 HydrophobicContact CG1-CG1 4.24Å; I2597-I2612 HydrophobicContact CG1-CG2 4.17Å; I2597-I2612 HydrophobicContact CG2-CB 4.27Å; I2597-I2612 HydrophobicContact CG2-CD1 4.31Å; I2597-I2612 HydrophobicContact CG2-CG2 4.41Å; I2603-I2612 HydrophobicContact CD1-CD1 3.65Å; I2603-I2612 HydrophobicContact CG1-CD1 3.84Å; I2603-I2612 HydrophobicContact CG2-CD1 4.27Å; L2608-I2612 HydrophobicContact CD2-CD1 4.33Å; L2608-I2612 HydrophobicContact CG-CD1 4.22Å; L2608-I2612 WeakPolarHBondContact O-CB 3.33Å; L2608-I2612 WeakPolarHBondContact O-CD1 3.38Å; L2608-I2612 VanDerWaalsContact O-CG1 3.23Å; L2608-I2612 WeakPolarHBondContact O-CG1 3.23Å; L2608-I2612 PolarHBondContact O-N 3.24Å; A2609-I2612 PolarHBondContact O-N 2.8Å; Y2610-I2612 VanDerWaalsContact C-N 3.28Å; Y2610-I2612 PolarHBondContact O-N 2.96Å; I2612-F2614 VanDerWaalsContact C-N 3.32Å; I2612-F2614 PolarHBondContact O-N 3.28Å; I2612-K2615 PolarHBondContact O-N 3.03Å; I2612-T2616 VanDerWaalsContact O-CB 3.26Å; I2612-T2616 WeakPolarHBondContact O-CB 3.34Å; I2612-T2616 WeakPolarHBondContact O-CG2 3.44Å; I2612-T2616 PolarHBondContact O-N 3.25Å; I2612-T2616 VanDerWaalsContact O-N 3.07Å; I2612-T2616 PolarHBondContact O-OG1 3.22Å; I2612-I2633 HydrophobicContact CG2-CD1 4.07Å; I2612-L2641 HydrophobicContact CB-CD1 4.3Å; I2612-L2641 HydrophobicContact CB-CD2 4.24Å; I2612-L2641 HydrophobicContact CD1-CD2 4.37Å; I2612-L2641 HydrophobicContact CG2-CD1 3.62Å; I2612-L2641 HydrophobicContact CG2-CD2 4.31Å; I2612-L2645 HydrophobicContact CD1-CB 4.44Å; I2612-L2645 HydrophobicContact CG2-CD1 3.93Å |
| 2613 | L | 61.6 | Low | 59.6 | Low | 16.4 Ų | 16.4 | 34 Ų | 34 | 9% | 0.086 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.4 | -48.2 | 177.1 | -176.9 | 87.1 | 0 | 0 | 0 | 111.7 | V2517 Y2590 F2593 Y2594 I2597 A2609 Y2610 T2616 I2617 K2638 L2641 I2642 L2645 | V2517-L2613 HydrophobicContact CB-CD2 4.3Å; V2517-L2613 HydrophobicContact CG1-CD2 4.05Å; V2517-L2613 HydrophobicContact CG2-CD2 3.28Å; V2517-L2613 HydrophobicContact CG2-CG 4.18Å; Y2590-L2613 HydrophobicContact CD1-CD1 4.4Å; F2593-L2613 HydrophobicContact CB-CD1 4.36Å; F2593-L2613 HydrophobicContact CD1-CB 4.39Å; F2593-L2613 HydrophobicContact CD1-CD1 3.59Å; F2593-L2613 HydrophobicContact CE1-CD1 4.34Å; F2593-L2613 HydrophobicContact CG-CD1 4.37Å; Y2594-L2613 HydrophobicContact CD2-CD2 3.78Å; Y2594-L2613 HydrophobicContact CG-CD2 4.06Å; I2597-L2613 HydrophobicContact CD1-CB 4.15Å; A2609-L2613 WeakPolarHBondContact O-CB 3.42Å; A2609-L2613 PolarHBondContact O-N 3.23Å; A2609-L2613 VanDerWaalsContact O-N 3.09Å; Y2610-L2613 WeakPolarHBondContact O-CA 3.27Å; Y2610-L2613 PolarHBondContact O-N 3.18Å; L2613-T2616 HydrophobicContact CB-CG2 4.16Å; L2613-T2616 WeakPolarHBondContact O-CB 3.33Å; L2613-T2616 WeakPolarHBondContact O-CG2 3.5Å; L2613-T2616 PolarHBondContact O-N 3.22Å; L2613-I2617 HydrophobicContact CD1-CD1 3.98Å; L2613-I2617 HydrophobicContact CD1-CG1 4.38Å; L2613-I2617 HydrophobicContact CD2-CD1 4.44Å; L2613-I2617 HydrophobicContact CG-CD1 4.16Å; L2613-I2617 WeakPolarHBondContact O-CB 3.38Å; L2613-I2617 WeakPolarHBondContact O-CD1 3.32Å; L2613-I2617 VanDerWaalsContact O-CG1 3.25Å; L2613-I2617 WeakPolarHBondContact O-CG1 3.37Å; L2613-I2617 PolarHBondContact O-N 3.04Å; L2613-I2617 VanDerWaalsContact O-N 3.15Å; L2613-K2638 HydrophobicContact CD1-CB 4.15Å; L2613-K2638 HydrophobicContact CD1-CG 4.31Å; L2613-L2641 HydrophobicContact CB-CB 4.49Å; L2613-L2641 HydrophobicContact CB-CD1 4.19Å; L2613-L2641 HydrophobicContact CD1-CB 4.2Å; L2613-L2641 HydrophobicContact CD1-CD1 4.28Å; L2613-I2642 HydrophobicContact CD1-CD1 4.3Å; L2613-I2642 HydrophobicContact CD1-CG1 4.08Å; L2613-I2642 HydrophobicContact CD2-CG1 4.11Å; L2613-L2645 HydrophobicContact CD2-CD1 4.16Å |
| 2614 | F | 59.5 | Low | 59.4 | Low | 58.2 Ų | 58.2 | 40.5 Ų | 40.5 | 26% | 0.255 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.2 | -51.6 | -179 | -174 | -93.4 | 0 | 0 | 0 | 112.4 | L2520 I2533 R2537 F2559 F2562 Y2610 E2611 I2612 T2616 I2617 E2618 | L2520-F2614 HydrophobicContact CD1-CD2 3.6Å; L2520-F2614 HydrophobicContact CD1-CE2 3.69Å; L2520-F2614 HydrophobicContact CD2-CE2 4.17Å; I2533-F2614 HydrophobicContact CG2-CE2 4.29Å; I2533-F2614 HydrophobicContact CG2-CZ 3.75Å; R2537-F2614 HydrophobicContact CB-CE2 3.67Å; R2537-F2614 HydrophobicContact CB-CZ 3.94Å; R2537-F2614 HydrophobicContact CG-CD2 4.34Å; R2537-F2614 HydrophobicContact CG-CE2 3.9Å; R2537-F2614 HydrophobicContact CG-CZ 4.12Å; F2559-F2614 AromaticContact CD2-CD2 3.76Å; F2559-F2614 HydrophobicContact CD2-CD2 3.76Å; F2559-F2614 HydrophobicContact CD2-CE2 4.42Å; F2559-F2614 HydrophobicContact CE2-CD2 4.47Å; F2562-F2614 HydrophobicContact CB-CE2 3.79Å; F2562-F2614 HydrophobicContact CB-CZ 4.21Å; F2562-F2614 HydrophobicContact CD1-CD2 4.4Å; F2562-F2614 AromaticContact CD1-CE2 3.67Å; F2562-F2614 HydrophobicContact CD1-CE2 3.67Å; F2562-F2614 HydrophobicContact CD2-CE2 4.1Å; F2562-F2614 HydrophobicContact CD2-CZ 4.29Å; F2562-F2614 HydrophobicContact CE1-CE2 4.18Å; F2562-F2614 AromaticContact CG-CE2 3.61Å; F2562-F2614 HydrophobicContact CG-CE2 3.61Å; F2562-F2614 HydrophobicContact CG-CZ 4.15Å; Y2610-F2614 HydrophobicContact CD1-CB 4.36Å; Y2610-F2614 HydrophobicContact CE1-CB 4.01Å; Y2610-F2614 HydrophobicContact CE1-CD2 4.42Å; Y2610-F2614 HydrophobicContact CE1-CG 4.37Å; Y2610-F2614 VanDerWaalsContact O-CB 3.28Å; Y2610-F2614 WeakPolarHBondContact O-CB 3.29Å; Y2610-F2614 PolarHBondContact O-N 3.06Å; E2611-F2614 PolarHBondContact O-N 3.24Å; I2612-F2614 VanDerWaalsContact C-N 3.32Å; I2612-F2614 PolarHBondContact O-N 3.28Å; F2614-T2616 VanDerWaalsContact C-N 3.28Å; F2614-T2616 PolarHBondContact O-N 3.34Å; F2614-I2617 WeakPolarHBondContact O-CB 3.33Å; F2614-I2617 PolarHBondContact O-N 3.08Å; F2614-I2617 VanDerWaalsContact O-N 3.12Å; F2614-E2618 VanDerWaalsContact O-CB 3.3Å; F2614-E2618 WeakPolarHBondContact O-CB 2.98Å; F2614-E2618 PolarHBondContact O-N 3.22Å; F2614-E2618 VanDerWaalsContact O-N 3.08Å |
| 2615 | K | 63.8 | Low | 59.2 | Low | 35.4 Ų | 35.4 | 38.4 Ų | 38.4 | 15% | 0.154 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.9 | -29.8 | -179.5 | -72.6 | -161.2 | 172.6 | 177 | 0 | 112.5 | E2589 Y2590 F2593 E2611 I2612 L2619 | E2589-K2615 WeakPolarHBondContact OE1-CE 3.34Å; E2589-K2615 IonicContact OE1-NZ 3.34Å; E2589-K2615 PolarHBondContact OE1-NZ 3.39Å; E2589-K2615 IonicContact OE2-NZ 3.64Å; Y2590-K2615 HydrophobicContact CD1-CB 4.08Å; Y2590-K2615 HydrophobicContact CD1-CD 4.04Å; Y2590-K2615 HydrophobicContact CD1-CG 4.33Å; Y2590-K2615 HydrophobicContact CE1-CB 4.08Å; Y2590-K2615 HydrophobicContact CE1-CD 3.82Å; Y2590-K2615 HydrophobicContact CE1-CG 4.19Å; F2593-K2615 HydrophobicContact CB-CD 4.24Å; F2593-K2615 HydrophobicContact CD1-CB 4.19Å; F2593-K2615 HydrophobicContact CD1-CD 3.69Å; F2593-K2615 HydrophobicContact CD1-CG 4.33Å; F2593-K2615 HydrophobicContact CD2-CD 3.96Å; F2593-K2615 HydrophobicContact CE1-CB 4.01Å; F2593-K2615 HydrophobicContact CE1-CD 3.93Å; F2593-K2615 HydrophobicContact CE1-CG 4.22Å; F2593-K2615 HydrophobicContact CE2-CD 4.2Å; F2593-K2615 HydrophobicContact CG-CD 3.69Å; F2593-K2615 HydrophobicContact CG-CG 4.46Å; F2593-K2615 HydrophobicContact CZ-CB 4.49Å; F2593-K2615 HydrophobicContact CZ-CD 4.17Å; F2593-K2615 HydrophobicContact CZ-CG 4.34Å; E2611-K2615 HydrophobicContact CG-CD 4.07Å; E2611-K2615 HydrophobicContact CG-CG 4.24Å; E2611-K2615 VanDerWaalsContact O-CB 3.26Å; E2611-K2615 WeakPolarHBondContact O-CB 3.27Å; E2611-K2615 VanDerWaalsContact O-CG 3.27Å; E2611-K2615 WeakPolarHBondContact O-CG 3.28Å; E2611-K2615 PolarHBondContact O-N 3.19Å; E2611-K2615 VanDerWaalsContact OE1-CE 3.28Å; E2611-K2615 WeakPolarHBondContact OE1-CE 3.29Å; E2611-K2615 IonicContact OE1-NZ 2.69Å; E2611-K2615 PolarHBondContact OE1-NZ 3.02Å; I2612-K2615 PolarHBondContact O-N 3.03Å; K2615-L2619 WeakPolarHBondContact O-CB 3.4Å; K2615-L2619 VanDerWaalsContact O-CG 3.3Å; K2615-L2619 WeakPolarHBondContact O-CG 3.11Å; K2615-L2619 PolarHBondContact O-N 3.07Å |
| 2616 | T | 63.4 | Low | 59.1 | Low | 7 Ų | 7 | 36.9 Ų | 36.9 | 4% | 0.043 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.1 | -41.7 | 174.1 | -47.6 | 0 | 0 | 0 | 0 | 112.3 | F2593 Y2594 I2612 L2613 F2614 E2618 L2619 E2620 I2633 F2667 | F2593-T2616 HydrophobicContact CE1-CG2 4Å; F2593-T2616 WeakPolarHBondContact CE1-OG1 3.44Å; F2593-T2616 HydrophobicContact CE2-CG2 3.96Å; F2593-T2616 HydrophobicContact CZ-CG2 3.44Å; F2593-T2616 VanDerWaalsContact CZ-CG2 3.44Å; F2593-T2616 VanDerWaalsContact CZ-OG1 3.23Å; F2593-T2616 WeakPolarHBondContact CZ-OG1 3.44Å; Y2594-T2616 VanDerWaalsContact OH-CA 3.3Å; Y2594-T2616 WeakPolarHBondContact OH-CA 3.18Å; Y2594-T2616 WeakPolarHBondContact OH-CB 3.42Å; Y2594-T2616 WeakPolarHBondContact OH-CG2 3.34Å; Y2594-T2616 PolarHBondContact OH-N 2.92Å; Y2594-T2616 PolarHBondContact OH-OG1 3.34Å; I2612-T2616 VanDerWaalsContact O-CB 3.26Å; I2612-T2616 WeakPolarHBondContact O-CB 3.34Å; I2612-T2616 WeakPolarHBondContact O-CG2 3.44Å; I2612-T2616 PolarHBondContact O-N 3.25Å; I2612-T2616 VanDerWaalsContact O-N 3.07Å; I2612-T2616 PolarHBondContact O-OG1 3.22Å; L2613-T2616 HydrophobicContact CB-CG2 4.16Å; L2613-T2616 WeakPolarHBondContact O-CB 3.33Å; L2613-T2616 WeakPolarHBondContact O-CG2 3.5Å; L2613-T2616 PolarHBondContact O-N 3.22Å; F2614-T2616 VanDerWaalsContact C-N 3.28Å; F2614-T2616 PolarHBondContact O-N 3.34Å; T2616-E2618 VanDerWaalsContact C-N 3.29Å; T2616-E2618 PolarHBondContact O-N 3.2Å; T2616-L2619 PolarHBondContact O-N 2.97Å; T2616-E2620 HydrophobicContact CG2-CG 4.48Å; T2616-E2620 WeakPolarHBondContact O-CB 3.25Å; T2616-E2620 WeakPolarHBondContact O-CG 3.47Å; T2616-E2620 PolarHBondContact O-N 3.23Å; T2616-I2633 VanDerWaalsContact CB-CD1 3.42Å; T2616-I2633 HydrophobicContact CG2-CB 3.74Å; T2616-I2633 HydrophobicContact CG2-CD1 3.6Å; T2616-I2633 VanDerWaalsContact CG2-CD1 3.48Å; T2616-I2633 HydrophobicContact CG2-CG1 3.67Å; T2616-I2633 VanDerWaalsContact CG2-CG1 3.45Å; T2616-I2633 HydrophobicContact CG2-CG2 4.39Å; T2616-I2633 WeakPolarHBondContact OG1-CD1 3.25Å; T2616-F2667 HydrophobicContact CG2-CE1 4.32Å; T2616-F2667 HydrophobicContact CG2-CE2 4.33Å; T2616-F2667 HydrophobicContact CG2-CZ 4.02Å |
| 2617 | I | 57.7 | Low | 59.5 | Low | 40.8 Ų | 40.8 | 39.3 Ų | 39.3 | 21% | 0.209 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.8 | -41.9 | 174.6 | -72.9 | 167.8 | 0 | 0 | 0 | 110.4 | V2517 L2526 F2562 Y2590 L2613 F2614 L2619 E2620 H2621 | V2517-I2617 HydrophobicContact CG1-CD1 3.87Å; L2526-I2617 HydrophobicContact CD2-CG2 3.7Å; F2562-I2617 HydrophobicContact CE1-CG2 4.14Å; Y2590-I2617 HydrophobicContact CD1-CD1 4.12Å; Y2590-I2617 HydrophobicContact CD1-CG1 3.89Å; Y2590-I2617 HydrophobicContact CE1-CD1 4.37Å; Y2590-I2617 HydrophobicContact CE1-CG1 3.72Å; Y2590-I2617 HydrophobicContact CG-CD1 4.31Å; L2613-I2617 HydrophobicContact CD1-CD1 3.98Å; L2613-I2617 HydrophobicContact CD1-CG1 4.38Å; L2613-I2617 HydrophobicContact CD2-CD1 4.44Å; L2613-I2617 HydrophobicContact CG-CD1 4.16Å; L2613-I2617 WeakPolarHBondContact O-CB 3.38Å; L2613-I2617 WeakPolarHBondContact O-CD1 3.32Å; L2613-I2617 VanDerWaalsContact O-CG1 3.25Å; L2613-I2617 WeakPolarHBondContact O-CG1 3.37Å; L2613-I2617 PolarHBondContact O-N 3.04Å; L2613-I2617 VanDerWaalsContact O-N 3.15Å; F2614-I2617 WeakPolarHBondContact O-CB 3.33Å; F2614-I2617 PolarHBondContact O-N 3.08Å; F2614-I2617 VanDerWaalsContact O-N 3.12Å; I2617-L2619 VanDerWaalsContact C-N 3.34Å; I2617-L2619 PolarHBondContact O-N 3.46Å; I2617-E2620 PolarHBondContact O-N 2.92Å; I2617-H2621 VanDerWaalsContact O-CB 3.32Å; I2617-H2621 WeakPolarHBondContact O-CB 3.36Å; I2617-H2621 PolarHBondContact O-N 3.14Å; I2617-H2621 VanDerWaalsContact O-N 3.07Å |
| 2618 | E | 60.9 | Low | 59.8 | Low | 34.2 Ų | 34.2 | 38.2 Ų | 38.2 | 16% | 0.16 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.9 | -41.1 | 176 | -162.8 | 179 | -170 | 0 | 0 | 111.6 | F2562 K2586 Y2590 F2614 T2616 E2620 H2621 L2622 | F2562-E2618 HydrophobicContact CE2-CB 4.11Å; F2562-E2618 HydrophobicContact CE2-CG 3.7Å; F2562-E2618 HydrophobicContact CZ-CB 3.93Å; F2562-E2618 HydrophobicContact CZ-CG 3.97Å; K2586-E2618 IonicContact NZ-OE1 3.31Å; K2586-E2618 PolarHBondContact NZ-OE1 3.24Å; K2586-E2618 IonicContact NZ-OE2 3.51Å; Y2590-E2618 HydrophobicContact CE1-CB 4.42Å; Y2590-E2618 WeakPolarHBondContact OH-CB 3.03Å; Y2590-E2618 VanDerWaalsContact OH-CG 3.28Å; Y2590-E2618 WeakPolarHBondContact OH-CG 3.33Å; Y2590-E2618 PolarHBondContact OH-OE1 3.28Å; Y2590-E2618 PolarHBondContact OH-OE2 3.06Å; F2614-E2618 VanDerWaalsContact O-CB 3.3Å; F2614-E2618 WeakPolarHBondContact O-CB 2.98Å; F2614-E2618 PolarHBondContact O-N 3.22Å; F2614-E2618 VanDerWaalsContact O-N 3.08Å; T2616-E2618 VanDerWaalsContact C-N 3.29Å; T2616-E2618 PolarHBondContact O-N 3.2Å; E2618-E2620 PolarHBondContact O-N 2.97Å; E2618-H2621 CarbonylContact O-C 3.53Å; E2618-H2621 WeakPolarHBondContact O-CB 3.42Å; E2618-H2621 PolarHBondContact O-N 3.18Å; E2618-H2621 VanDerWaalsContact O-N 3.07Å; E2618-L2622 HydrophobicContact CG-CD1 4.17Å; E2618-L2622 HydrophobicContact CG-CG 4.35Å; E2618-L2622 WeakPolarHBondContact O-CB 3.28Å; E2618-L2622 WeakPolarHBondContact O-CG 3.32Å; E2618-L2622 PolarHBondContact O-N 3.15Å |
| 2619 | L | 64.6 | Low | 59.6 | Low | 20 Ų | 20 | 44 Ų | 44 | 11% | 0.105 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.1 | -40.7 | 175.1 | -155.5 | 82.9 | 0 | 0 | 0 | 112.8 | L2587 Y2590 Y2594 K2615 T2616 I2617 H2621 L2622 S2623 I2630 F2667 L2671 | L2587-L2619 HydrophobicContact CD2-CD1 4.09Å; Y2590-L2619 HydrophobicContact CD2-CD1 3.73Å; Y2590-L2619 HydrophobicContact CE2-CD1 4.12Å; Y2590-L2619 HydrophobicContact CG-CD1 4.3Å; Y2594-L2619 HydrophobicContact CE2-CD2 3.97Å; K2615-L2619 WeakPolarHBondContact O-CB 3.4Å; K2615-L2619 VanDerWaalsContact O-CG 3.3Å; K2615-L2619 WeakPolarHBondContact O-CG 3.11Å; K2615-L2619 PolarHBondContact O-N 3.07Å; T2616-L2619 PolarHBondContact O-N 2.97Å; I2617-L2619 VanDerWaalsContact C-N 3.34Å; I2617-L2619 PolarHBondContact O-N 3.46Å; L2619-H2621 VanDerWaalsContact C-N 3.28Å; L2619-H2621 PolarHBondContact O-N 3.08Å; L2619-L2622 PolarHBondContact O-N 3.19Å; L2619-S2623 WeakPolarHBondContact O-CB 3.16Å; L2619-S2623 PolarHBondContact O-N 3.14Å; L2619-S2623 PolarHBondContact O-OG 2.9Å; L2619-I2630 HydrophobicContact CD1-CD1 3.68Å; L2619-I2630 HydrophobicContact CD2-CD1 4.19Å; L2619-I2630 HydrophobicContact CD2-CG2 4.08Å; L2619-I2630 HydrophobicContact CG-CD1 3.87Å; L2619-I2630 HydrophobicContact CG-CG2 4.42Å; L2619-F2667 HydrophobicContact CD2-CD1 4.27Å; L2619-F2667 HydrophobicContact CD2-CE1 4.31Å; L2619-L2671 HydrophobicContact CD1-CD2 4.09Å; L2619-L2671 HydrophobicContact CD2-CD1 4.47Å; L2619-L2671 HydrophobicContact CD2-CD2 4.38Å |
| 2620 | E | 61.2 | Low | 59.6 | Low | 16.4 Ų | 16.4 | 44.7 Ų | 44.7 | 8% | 0.077 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -30.6 | 173.4 | -91.2 | -171.2 | 168.3 | 0 | 0 | 112.2 | Y2590 T2616 I2617 E2618 S2623 R2624 C2632 I2633 K2638 | Y2590-E2620 PolarHBondContact OH-OE2 3.1Å; T2616-E2620 HydrophobicContact CG2-CG 4.48Å; T2616-E2620 WeakPolarHBondContact O-CB 3.25Å; T2616-E2620 WeakPolarHBondContact O-CG 3.47Å; T2616-E2620 PolarHBondContact O-N 3.23Å; I2617-E2620 PolarHBondContact O-N 2.92Å; E2618-E2620 PolarHBondContact O-N 2.97Å; E2620-S2623 WeakPolarHBondContact CA-OG 3.43Å; E2620-S2623 PolarHBondContact O-OG 3.22Å; E2620-S2623 VanDerWaalsContact O-OG 3.08Å; E2620-R2624 WeakPolarHBondContact O-CB 3.07Å; E2620-R2624 VanDerWaalsContact O-CD 3.27Å; E2620-R2624 WeakPolarHBondContact O-CD 3.39Å; E2620-R2624 VanDerWaalsContact O-CG 3.29Å; E2620-R2624 WeakPolarHBondContact O-CG 3.3Å; E2620-R2624 PolarHBondContact O-N 3.14Å; E2620-R2624 IonicContact OE1-CZ 2.67Å; E2620-R2624 IonicContact OE1-NE 3.32Å; E2620-R2624 IonicContact OE1-NH2 2.8Å; E2620-R2624 PolarHBondContact OE1-NH2 3.02Å; E2620-R2624 IonicContact OE2-NH1 2.77Å; E2620-R2624 PolarHBondContact OE2-NH1 2.56Å; E2620-C2632 HydrophobicContact CG-CB 4.42Å; E2620-C2632 WeakPolarHBondContact OE1-CA 2.97Å; E2620-C2632 VanDerWaalsContact OE1-CB 3.26Å; E2620-C2632 WeakPolarHBondContact OE1-CB 3.44Å; E2620-I2633 HydrophobicContact CG-CD1 4.09Å; E2620-I2633 HydrophobicContact CG-CG1 4.38Å; E2620-I2633 WeakPolarHBondContact OE1-CG1 3.38Å; E2620-I2633 PolarHBondContact OE1-N 3.32Å; E2620-K2638 VanDerWaalsContact CD-NZ 3.27Å; E2620-K2638 VanDerWaalsContact OE1-CE 3.26Å; E2620-K2638 WeakPolarHBondContact OE1-CE 3.32Å; E2620-K2638 IonicContact OE1-NZ 3.42Å; E2620-K2638 PolarHBondContact OE1-NZ 3.03Å; E2620-K2638 VanDerWaalsContact OE1-NZ 3.17Å; E2620-K2638 IonicContact OE2-NZ 3.76Å; E2620-K2638 PolarHBondContact OE2-NZ 3.2Å |
| 2621 | H | 57 | Low | 59.5 | Low | 50.6 Ų | 50.6 | 47.7 Ų | 47.7 | 23% | 0.234 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73.4 | -44.8 | 173.9 | -166.7 | 61.3 | 0 | 0 | 0 | 111.5 | I2617 E2618 L2619 S2623 R2624 L2625 | I2617-H2621 VanDerWaalsContact O-CB 3.32Å; I2617-H2621 WeakPolarHBondContact O-CB 3.36Å; I2617-H2621 PolarHBondContact O-N 3.14Å; I2617-H2621 VanDerWaalsContact O-N 3.07Å; E2618-H2621 CarbonylContact O-C 3.53Å; E2618-H2621 WeakPolarHBondContact O-CB 3.42Å; E2618-H2621 PolarHBondContact O-N 3.18Å; E2618-H2621 VanDerWaalsContact O-N 3.07Å; L2619-H2621 VanDerWaalsContact C-N 3.28Å; L2619-H2621 PolarHBondContact O-N 3.08Å; H2621-S2623 VanDerWaalsContact C-N 3.3Å; H2621-S2623 PolarHBondContact O-N 3.22Å; H2621-R2624 CarbonylContact O-C 3.54Å; H2621-R2624 PolarHBondContact O-N 3.15Å; H2621-L2625 VanDerWaalsContact CD2-CD1 3.49Å; H2621-L2625 WeakPolarHBondContact CD2-CD1 3.46Å; H2621-L2625 WeakPolarHBondContact O-CB 3.23Å; H2621-L2625 WeakPolarHBondContact O-CG 3.32Å; H2621-L2625 PolarHBondContact O-N 3.1Å; H2621-L2625 VanDerWaalsContact O-N 3.09Å |
| 2622 | L | 60 | Low | 59.2 | Low | 14 Ų | 14 | 48.2 Ų | 48.2 | 7% | 0.073 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.1 | -38.9 | 176.7 | -72 | 169.3 | 0 | 0 | 0 | 112.3 | L2575 L2583 K2586 Y2590 E2618 L2619 R2624 L2625 Y2626 | L2575-L2622 HydrophobicContact CD1-CD2 4.25Å; L2575-L2622 HydrophobicContact CD2-CD2 3.52Å; L2575-L2622 VanDerWaalsContact CD2-CD2 3.48Å; L2575-L2622 HydrophobicContact CD2-CG 4.14Å; L2583-L2622 HydrophobicContact CD1-CD2 4.18Å; K2586-L2622 HydrophobicContact CD-CD1 4.37Å; Y2590-L2622 HydrophobicContact CE2-CD1 3.58Å; Y2590-L2622 VanDerWaalsContact OH-CD1 3.29Å; Y2590-L2622 WeakPolarHBondContact OH-CD1 3.48Å; E2618-L2622 HydrophobicContact CG-CD1 4.17Å; E2618-L2622 HydrophobicContact CG-CG 4.35Å; E2618-L2622 WeakPolarHBondContact O-CB 3.28Å; E2618-L2622 WeakPolarHBondContact O-CG 3.32Å; E2618-L2622 PolarHBondContact O-N 3.15Å; L2619-L2622 PolarHBondContact O-N 3.19Å; L2622-R2624 VanDerWaalsContact C-N 3.29Å; L2622-R2624 PolarHBondContact O-N 3.22Å; L2622-L2625 HydrophobicContact CD2-CD1 4.47Å; L2622-L2625 PolarHBondContact O-N 3.21Å; L2622-Y2626 HydrophobicContact CB-CD2 4.2Å; L2622-Y2626 HydrophobicContact CB-CE2 4.07Å; L2622-Y2626 HydrophobicContact CD2-CD2 4.2Å; L2622-Y2626 HydrophobicContact CD2-CE2 3.79Å; L2622-Y2626 HydrophobicContact CG-CE2 4.36Å; L2622-Y2626 WeakPolarHBondContact O-CB 3.5Å; L2622-Y2626 VanDerWaalsContact O-CD2 3.3Å; L2622-Y2626 WeakPolarHBondContact O-CD2 3.32Å; L2622-Y2626 PolarHBondContact O-N 3.14Å |
| 2623 | S | 62.3 | Low | 58.8 | Low | 11.2 Ų | 11.2 | 48.2 Ų | 48.2 | 8% | 0.078 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.5 | -38.9 | 176.3 | 71.7 | 0 | 0 | 0 | 0 | 112 | L2619 E2620 H2621 L2625 S2627 L2628 | L2619-S2623 WeakPolarHBondContact O-CB 3.16Å; L2619-S2623 PolarHBondContact O-N 3.14Å; L2619-S2623 PolarHBondContact O-OG 2.9Å; E2620-S2623 WeakPolarHBondContact CA-OG 3.43Å; E2620-S2623 PolarHBondContact O-OG 3.22Å; E2620-S2623 VanDerWaalsContact O-OG 3.08Å; H2621-S2623 VanDerWaalsContact C-N 3.3Å; H2621-S2623 PolarHBondContact O-N 3.22Å; S2623-L2625 VanDerWaalsContact C-N 3.35Å; S2623-S2627 CarbonylContact O-C 3.52Å; S2623-S2627 WeakPolarHBondContact O-CA 3.38Å; S2623-S2627 PolarHBondContact O-N 3.06Å; S2623-L2628 WeakPolarHBondContact CB-O 3.49Å; S2623-L2628 PolarHBondContact O-N 3.21Å |
| 2624 | R | 55.8 | Low | 58.6 | Low | 139.2 Ų | 139.2 | 48.4 Ų | 48.4 | 53% | 0.525 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -73.7 | -32.7 | 174.5 | -66.9 | 173 | -174.6 | 179.2 | 4.8 | 113.1 | Q2525 E2620 H2621 L2622 Y2626 T2688 | Q2525-R2624 VanDerWaalsContact O-CZ 3.28Å; Q2525-R2624 PolarHBondContact O-NH1 2.97Å; Q2525-R2624 PolarHBondContact O-NH2 3.41Å; E2620-R2624 WeakPolarHBondContact O-CB 3.07Å; E2620-R2624 VanDerWaalsContact O-CD 3.27Å; E2620-R2624 WeakPolarHBondContact O-CD 3.39Å; E2620-R2624 VanDerWaalsContact O-CG 3.29Å; E2620-R2624 WeakPolarHBondContact O-CG 3.3Å; E2620-R2624 PolarHBondContact O-N 3.14Å; E2620-R2624 IonicContact OE1-CZ 2.67Å; E2620-R2624 IonicContact OE1-NE 3.32Å; E2620-R2624 IonicContact OE1-NH2 2.8Å; E2620-R2624 PolarHBondContact OE1-NH2 3.02Å; E2620-R2624 IonicContact OE2-NH1 2.77Å; E2620-R2624 PolarHBondContact OE2-NH1 2.56Å; H2621-R2624 CarbonylContact O-C 3.54Å; H2621-R2624 PolarHBondContact O-N 3.15Å; L2622-R2624 VanDerWaalsContact C-N 3.29Å; L2622-R2624 PolarHBondContact O-N 3.22Å; R2624-Y2626 PolarHBondContact O-N 2.74Å; R2624-T2688 PolarHBondContact O-OG1 3.22Å |
| 2625 | L | 54.4 | Low | 58.3 | Low | 56.8 Ų | 56.8 | 49.9 Ų | 49.9 | 30% | 0.297 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -72.8 | -38.9 | 178.5 | -100.5 | 151.3 | 0 | 0 | 0 | 112.7 | H2621 L2622 S2623 P2687 T2688 | H2621-L2625 VanDerWaalsContact CD2-CD1 3.49Å; H2621-L2625 WeakPolarHBondContact CD2-CD1 3.46Å; H2621-L2625 WeakPolarHBondContact O-CB 3.23Å; H2621-L2625 WeakPolarHBondContact O-CG 3.32Å; H2621-L2625 PolarHBondContact O-N 3.1Å; H2621-L2625 VanDerWaalsContact O-N 3.09Å; L2622-L2625 HydrophobicContact CD2-CD1 4.47Å; L2622-L2625 PolarHBondContact O-N 3.21Å; S2623-L2625 VanDerWaalsContact C-N 3.35Å; L2625-P2687 VanDerWaalsContact O-CA 3.25Å; L2625-P2687 WeakPolarHBondContact O-CA 3.34Å; L2625-T2688 PolarHBondContact O-N 3.33Å; L2625-T2688 VanDerWaalsContact O-N 3.12Å; L2625-T2688 PolarHBondContact O-OG1 2.97Å |
| 2626 | Y | 55.9 | Low | 57.9 | Low | 40.6 Ų | 40.6 | 50.7 Ų | 50.7 | 16% | 0.159 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 8.6 | -175.3 | -65.1 | -71.6 | 0 | 0 | 0 | 113.9 | L2575 H2578 L2583 L2622 R2624 L2628 I2674 L2678 V2685 P2687 | L2575-Y2626 HydrophobicContact CD2-CE2 3.95Å; H2578-Y2626 WeakPolarHBondContact CB-OH 3.3Å; H2578-Y2626 PolarHBondContact N-OH 2.88Å; H2578-Y2626 VanDerWaalsContact N-OH 3.11Å; H2578-Y2626 PolarHBondContact O-OH 3.24Å; L2583-Y2626 HydrophobicContact CD1-CD2 3.83Å; L2583-Y2626 HydrophobicContact CD1-CE2 3.82Å; L2583-Y2626 HydrophobicContact CD1-CG 4.41Å; L2583-Y2626 HydrophobicContact CD2-CD1 4.04Å; L2583-Y2626 HydrophobicContact CD2-CD2 4.16Å; L2583-Y2626 HydrophobicContact CD2-CE1 4.23Å; L2583-Y2626 HydrophobicContact CD2-CE2 4.26Å; L2583-Y2626 HydrophobicContact CD2-CG 3.99Å; L2622-Y2626 HydrophobicContact CB-CD2 4.2Å; L2622-Y2626 HydrophobicContact CB-CE2 4.07Å; L2622-Y2626 HydrophobicContact CD2-CD2 4.2Å; L2622-Y2626 HydrophobicContact CD2-CE2 3.79Å; L2622-Y2626 HydrophobicContact CG-CE2 4.36Å; L2622-Y2626 WeakPolarHBondContact O-CB 3.5Å; L2622-Y2626 VanDerWaalsContact O-CD2 3.3Å; L2622-Y2626 WeakPolarHBondContact O-CD2 3.32Å; L2622-Y2626 PolarHBondContact O-N 3.14Å; R2624-Y2626 PolarHBondContact O-N 2.74Å; Y2626-L2628 VanDerWaalsContact C-N 3.27Å; Y2626-L2628 PolarHBondContact O-N 3.01Å; Y2626-I2674 HydrophobicContact CD2-CG2 4.33Å; Y2626-I2674 HydrophobicContact CG-CG2 4.43Å; Y2626-I2674 WeakPolarHBondContact O-CD1 3.37Å; Y2626-L2678 HydrophobicContact CD1-CD1 4.21Å; Y2626-L2678 HydrophobicContact CD1-CD2 3.91Å; Y2626-L2678 HydrophobicContact CD2-CD1 3.82Å; Y2626-L2678 HydrophobicContact CE1-CD1 3.96Å; Y2626-L2678 HydrophobicContact CE1-CD2 3.55Å; Y2626-L2678 HydrophobicContact CE1-CG 4.37Å; Y2626-L2678 HydrophobicContact CE2-CD1 3.51Å; Y2626-L2678 HydrophobicContact CG-CD1 4.14Å; Y2626-V2685 HydrophobicContact CD1-CG1 3.91Å; Y2626-V2685 HydrophobicContact CG-CG1 4.27Å; Y2626-P2687 HydrophobicContact CD1-CB 4.37Å; Y2626-P2687 HydrophobicContact CD1-CG 4.34Å; Y2626-P2687 HydrophobicContact CE1-CB 3.99Å; Y2626-P2687 HydrophobicContact CE1-CG 4.11Å |
| 2627 | S | 58.8 | Low | 57.8 | Low | 77.2 Ų | 77.2 | 50.7 Ų | 50.7 | 54% | 0.54 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 44.5 | -177.4 | -51.8 | 0 | 0 | 0 | 0 | 114 | S2623 E2629 T2688 | S2623-S2627 CarbonylContact O-C 3.52Å; S2623-S2627 WeakPolarHBondContact O-CA 3.38Å; S2623-S2627 PolarHBondContact O-N 3.06Å; S2627-E2629 PolarHBondContact O-N 2.83Å; S2627-T2688 VanDerWaalsContact OG-CG2 3.27Å; S2627-T2688 WeakPolarHBondContact OG-CG2 3.27Å; S2627-T2688 PolarHBondContact OG-OG1 3.02Å |
| 2628 | L | 60.1 | Low | 57.9 | Low | 19.4 Ų | 19.4 | 49.7 Ų | 49.7 | 10% | 0.102 | 25% | 0.252 | C | S | . | . | trans | -73.8 | 133.7 | 173 | -52 | 174.9 | 0 | 0 | 0 | 109.4 | L2587 S2623 Y2626 I2630 F2667 Q2670 I2674 V2685 | L2587-L2628 HydrophobicContact CD2-CD1 4.2Å; S2623-L2628 WeakPolarHBondContact CB-O 3.49Å; S2623-L2628 PolarHBondContact O-N 3.21Å; Y2626-L2628 VanDerWaalsContact C-N 3.27Å; Y2626-L2628 PolarHBondContact O-N 3.01Å; L2628-I2630 HydrophobicContact CB-CD1 4.1Å; L2628-I2630 HydrophobicContact CB-CG1 3.98Å; L2628-I2630 HydrophobicContact CD1-CD1 4.12Å; L2628-I2630 PolarHBondContact O-N 3.11Å; L2628-I2630 VanDerWaalsContact O-N 3.16Å; L2628-F2667 HydrophobicContact CD1-CD1 4.1Å; L2628-F2667 HydrophobicContact CD1-CE1 3.74Å; L2628-Q2670 HydrophobicContact CD2-CB 3.35Å; L2628-Q2670 HydrophobicContact CD2-CG 4.31Å; L2628-I2674 HydrophobicContact CB-CD1 4.06Å; L2628-I2674 HydrophobicContact CD1-CG2 4.47Å; L2628-I2674 HydrophobicContact CD2-CD1 3.28Å; L2628-I2674 HydrophobicContact CD2-CG1 4.43Å; L2628-I2674 HydrophobicContact CD2-CG2 4.08Å; L2628-I2674 HydrophobicContact CG-CD1 3.63Å; L2628-V2685 HydrophobicContact CD2-CG1 4.3Å | ||
| 2629 | E | 57.4 | Low | 57.5 | Low | 163.4 Ų | 163.4 | 50 Ų | 50 | 76% | 0.764 | 26% | 0.258 | S | S | * | . | trans | -73.5 | 37.4 | 179.6 | -57.5 | -176.4 | 150.2 | 0 | 0 | 112.5 | S2627 Q2631 Q2670 S2965 | S2627-E2629 PolarHBondContact O-N 2.83Å; E2629-Q2631 PolarHBondContact O-N 3.1Å; E2629-Q2631 VanDerWaalsContact O-N 3.08Å; E2629-Q2670 HydrophobicContact CG-CG 4.4Å; E2629-Q2670 PolarHBondContact O-NE2 2.76Å; E2629-Q2670 PolarHBondContact OE2-NE2 2.96Å; E2629-S2965 PolarHBondContact OE1-OG 3.36Å; E2629-S2965 VanDerWaalsContact OE1-OG 3.09Å | ||
| 2630 | I | 58.8 | Low | 57.1 | Low | 14.6 Ų | 14.6 | 50.3 Ų | 50.3 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 116.8 | 175.6 | -54.8 | 178.4 | 0 | 0 | 0 | 108.7 | L2619 L2628 C2632 H2663 C2666 F2667 L2671 I2674 | L2619-I2630 HydrophobicContact CD1-CD1 3.68Å; L2619-I2630 HydrophobicContact CD2-CD1 4.19Å; L2619-I2630 HydrophobicContact CD2-CG2 4.08Å; L2619-I2630 HydrophobicContact CG-CD1 3.87Å; L2619-I2630 HydrophobicContact CG-CG2 4.42Å; L2628-I2630 HydrophobicContact CB-CD1 4.1Å; L2628-I2630 HydrophobicContact CB-CG1 3.98Å; L2628-I2630 HydrophobicContact CD1-CD1 4.12Å; L2628-I2630 PolarHBondContact O-N 3.11Å; L2628-I2630 VanDerWaalsContact O-N 3.16Å; I2630-C2632 WeakPolarHBondContact CG2-O 3.49Å; I2630-C2632 PolarHBondContact O-N 3.49Å; I2630-H2663 WeakPolarHBondContact CD1-O 3.35Å; I2630-C2666 HydrophobicContact CD1-CB 3.82Å; I2630-C2666 HydrophobicContact CG1-CB 4.46Å; I2630-F2667 HydrophobicContact CB-CE1 4.15Å; I2630-F2667 HydrophobicContact CB-CE2 4.05Å; I2630-F2667 HydrophobicContact CB-CZ 3.73Å; I2630-F2667 HydrophobicContact CD1-CB 4.17Å; I2630-F2667 HydrophobicContact CD1-CD1 3.99Å; I2630-F2667 HydrophobicContact CD1-CD2 3.29Å; I2630-F2667 HydrophobicContact CD1-CE1 4.15Å; I2630-F2667 HydrophobicContact CD1-CE2 3.46Å; I2630-F2667 VanDerWaalsContact CD1-CE2 3.46Å; I2630-F2667 HydrophobicContact CD1-CG 3.55Å; I2630-F2667 HydrophobicContact CD1-CZ 3.88Å; I2630-F2667 HydrophobicContact CG1-CE2 4.35Å; I2630-F2667 HydrophobicContact CG1-CZ 4.43Å; I2630-F2667 HydrophobicContact CG2-CD1 3.8Å; I2630-F2667 HydrophobicContact CG2-CD2 4.46Å; I2630-F2667 HydrophobicContact CG2-CE1 3.76Å; I2630-F2667 HydrophobicContact CG2-CE2 3.52Å; I2630-F2667 HydrophobicContact CG2-CZ 3.4Å; I2630-F2667 VanDerWaalsContact CG2-CZ 3.4Å; I2630-L2671 HydrophobicContact CD1-CD2 4.21Å; I2630-I2674 HydrophobicContact CD1-CD1 3.75Å; I2630-I2674 HydrophobicContact CG1-CD1 3.33Å |
| 2631 | Q | 53.7 | Low | 57 | Low | 116.2 Ų | 116.2 | 50.2 Ų | 50.2 | 54% | 0.543 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -65 | 144.9 | 175.8 | -74.7 | -179.1 | -5.2 | 0 | 0 | 111.3 | E2629 F2667 | E2629-Q2631 PolarHBondContact O-N 3.1Å; E2629-Q2631 VanDerWaalsContact O-N 3.08Å; Q2631-F2667 WeakPolarHBondContact O-CE1 3.39Å; Q2631-F2667 VanDerWaalsContact O-CZ 3.22Å; Q2631-F2667 WeakPolarHBondContact O-CZ 3.26Å |
| 2632 | C | 52.6 | Low | 56.9 | Low | 71.4 Ų | 71.4 | 49.1 Ų | 49.1 | 48% | 0.482 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -83.3 | 146.2 | 175.7 | -65.9 | 0 | 0 | 0 | 0 | 110.9 | E2620 I2630 P2634 | E2620-C2632 HydrophobicContact CG-CB 4.42Å; E2620-C2632 WeakPolarHBondContact OE1-CA 2.97Å; E2620-C2632 VanDerWaalsContact OE1-CB 3.26Å; E2620-C2632 WeakPolarHBondContact OE1-CB 3.44Å; I2630-C2632 WeakPolarHBondContact CG2-O 3.49Å; I2630-C2632 PolarHBondContact O-N 3.49Å; C2632-P2634 WeakPolarHBondContact O-CD 3.27Å |
| 2633 | I | 55.8 | Low | 56.5 | Low | 9.4 Ų | 9.4 | 51.6 Ų | 51.6 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 130.8 | 168.7 | -47.6 | -175.3 | 0 | 0 | 0 | 108.6 | Y2594 I2612 T2616 E2620 E2635 L2637 K2638 L2641 F2667 | Y2594-I2633 HydrophobicContact CE1-CD1 4.17Å; I2612-I2633 HydrophobicContact CG2-CD1 4.07Å; T2616-I2633 VanDerWaalsContact CB-CD1 3.42Å; T2616-I2633 HydrophobicContact CG2-CB 3.74Å; T2616-I2633 HydrophobicContact CG2-CD1 3.6Å; T2616-I2633 VanDerWaalsContact CG2-CD1 3.48Å; T2616-I2633 HydrophobicContact CG2-CG1 3.67Å; T2616-I2633 VanDerWaalsContact CG2-CG1 3.45Å; T2616-I2633 HydrophobicContact CG2-CG2 4.39Å; T2616-I2633 WeakPolarHBondContact OG1-CD1 3.25Å; E2620-I2633 HydrophobicContact CG-CD1 4.09Å; E2620-I2633 HydrophobicContact CG-CG1 4.38Å; E2620-I2633 WeakPolarHBondContact OE1-CG1 3.38Å; E2620-I2633 PolarHBondContact OE1-N 3.32Å; I2633-E2635 PolarHBondContact O-N 3.34Å; I2633-L2637 HydrophobicContact CD1-CD2 4.29Å; I2633-L2637 HydrophobicContact CG2-CB 4.03Å; I2633-L2637 HydrophobicContact CG2-CD2 4.01Å; I2633-L2637 HydrophobicContact CG2-CG 4.11Å; I2633-K2638 HydrophobicContact CB-CD 4.34Å; I2633-K2638 HydrophobicContact CB-CG 4.01Å; I2633-K2638 HydrophobicContact CD1-CD 4.38Å; I2633-K2638 HydrophobicContact CD1-CG 4Å; I2633-K2638 HydrophobicContact CG2-CG 4Å; I2633-K2638 WeakPolarHBondContact O-CE 3.33Å; I2633-K2638 PolarHBondContact O-NZ 3.48Å; I2633-L2641 HydrophobicContact CG2-CD1 4.36Å; I2633-F2667 HydrophobicContact CB-CE2 4.27Å; I2633-F2667 HydrophobicContact CB-CZ 4.18Å; I2633-F2667 HydrophobicContact CD1-CD1 4.3Å; I2633-F2667 HydrophobicContact CD1-CD2 3.91Å; I2633-F2667 HydrophobicContact CD1-CE1 3.85Å; I2633-F2667 HydrophobicContact CD1-CE2 3.92Å; I2633-F2667 HydrophobicContact CD1-CG 4.34Å; I2633-F2667 HydrophobicContact CD1-CZ 3.49Å; I2633-F2667 VanDerWaalsContact CD1-CZ 3.49Å; I2633-F2667 HydrophobicContact CG1-CD2 4.32Å; I2633-F2667 HydrophobicContact CG1-CE1 4.19Å; I2633-F2667 HydrophobicContact CG1-CE2 3.8Å; I2633-F2667 VanDerWaalsContact CG1-CE2 3.45Å; I2633-F2667 HydrophobicContact CG1-CZ 3.64Å; I2633-F2667 VanDerWaalsContact CG1-CZ 3.41Å; I2633-F2667 HydrophobicContact CG2-CE2 4.2Å; I2633-F2667 HydrophobicContact CG2-CZ 4.29Å |
| 2634 | P | 57 | Low | 56.1 | Low | 21 Ų | 21 | 52.6 Ų | 52.6 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -51.6 | 133.1 | 171.7 | -26.5 | 33.3 | 0 | 0 | 0 | 111.2 | C2632 S2636 L2637 K2638 H2663 | C2632-P2634 WeakPolarHBondContact O-CD 3.27Å; P2634-S2636 VanDerWaalsContact CB-OG 3.27Å; P2634-S2636 WeakPolarHBondContact CB-OG 3.38Å; P2634-S2636 PolarHBondContact O-N 3.07Å; P2634-S2636 VanDerWaalsContact O-N 3.13Å; P2634-L2637 HydrophobicContact CB-CB 4.23Å; P2634-L2637 HydrophobicContact CG-CB 4.18Å; P2634-L2637 CarbonylContact O-C 3.2Å; P2634-L2637 PolarHBondContact O-N 3.01Å; P2634-K2638 WeakPolarHBondContact O-CG 3.43Å; P2634-K2638 PolarHBondContact O-N 3.18Å; P2634-K2638 VanDerWaalsContact O-N 3.11Å; P2634-H2663 HydrophobicContact CG-CB 3.89Å; P2634-H2663 VanDerWaalsContact CG-CD2 3.47Å; P2634-H2663 WeakPolarHBondContact CG-CD2 3.38Å; P2634-H2663 VanDerWaalsContact CG-CG 3.47Å |
| 2635 | E | 54.1 | Low | 55.8 | Low | 90 Ų | 90 | 48.1 Ų | 48.1 | 42% | 0.421 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.1 | -27.2 | 178.1 | -157.5 | 66.3 | -165.6 | 0 | 0 | 111 | S2529 R2596 I2633 L2637 K2638 C2639 K2983 I2987 | S2529-E2635 PolarHBondContact N-OE1 3.36Å; R2596-E2635 IonicContact CZ-OE1 2.88Å; R2596-E2635 IonicContact NH1-OE1 3.96Å; R2596-E2635 PolarHBondContact NH1-OE1 3.12Å; R2596-E2635 IonicContact NH2-OE1 2.77Å; I2633-E2635 PolarHBondContact O-N 3.34Å; E2635-L2637 PolarHBondContact O-N 2.72Å; E2635-K2638 WeakPolarHBondContact O-CB 3.35Å; E2635-K2638 PolarHBondContact O-N 3.09Å; E2635-K2638 WeakPolarHBondContact OE2-CD 3.32Å; E2635-K2638 WeakPolarHBondContact OE2-CE 3.41Å; E2635-K2638 IonicContact OE2-NZ 2.95Å; E2635-K2638 PolarHBondContact OE2-NZ 3.19Å; E2635-C2639 VanDerWaalsContact O-CB 3.29Å; E2635-C2639 WeakPolarHBondContact O-CB 3.4Å; E2635-C2639 PolarHBondContact O-N 3.39Å; E2635-C2639 PolarHBondContact O-SG 3.28Å; E2635-K2983 IonicContact OE1-NZ 2.81Å; E2635-K2983 PolarHBondContact OE1-NZ 3.35Å; E2635-K2983 IonicContact OE2-NZ 3.21Å; E2635-I2987 HydrophobicContact CG-CD1 4.5Å |
| 2636 | S | 55.1 | Low | 55.3 | Low | 51.4 Ų | 51.4 | 47.5 Ų | 47.5 | 36% | 0.359 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58 | -50.3 | 169.1 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | P2634 K2638 C2639 S2640 | P2634-S2636 VanDerWaalsContact CB-OG 3.27Å; P2634-S2636 WeakPolarHBondContact CB-OG 3.38Å; P2634-S2636 PolarHBondContact O-N 3.07Å; P2634-S2636 VanDerWaalsContact O-N 3.13Å; S2636-K2638 VanDerWaalsContact C-N 3.34Å; S2636-K2638 PolarHBondContact O-N 2.97Å; S2636-C2639 CarbonylContact O-C 3.55Å; S2636-C2639 WeakPolarHBondContact O-CA 3.25Å; S2636-C2639 VanDerWaalsContact O-CB 3.29Å; S2636-C2639 WeakPolarHBondContact O-CB 3.37Å; S2636-C2639 PolarHBondContact O-N 3.28Å; S2636-C2639 VanDerWaalsContact O-N 3.12Å; S2636-S2640 WeakPolarHBondContact O-CB 3.17Å; S2636-S2640 PolarHBondContact O-N 3.23Å; S2636-S2640 PolarHBondContact O-OG 3.04Å; S2636-S2640 VanDerWaalsContact O-OG 3.1Å |
| 2637 | L | 59.7 | Low | 54.7 | Low | 7.2 Ų | 7.2 | 49.9 Ų | 49.9 | 4% | 0.038 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.5 | -36.6 | 178 | -178.2 | 59.5 | 0 | 0 | 0 | 111.8 | I2633 P2634 E2635 C2639 S2640 L2641 L2656 E2660 V2664 F2667 | I2633-L2637 HydrophobicContact CD1-CD2 4.29Å; I2633-L2637 HydrophobicContact CG2-CB 4.03Å; I2633-L2637 HydrophobicContact CG2-CD2 4.01Å; I2633-L2637 HydrophobicContact CG2-CG 4.11Å; P2634-L2637 HydrophobicContact CB-CB 4.23Å; P2634-L2637 HydrophobicContact CG-CB 4.18Å; P2634-L2637 CarbonylContact O-C 3.2Å; P2634-L2637 PolarHBondContact O-N 3.01Å; E2635-L2637 PolarHBondContact O-N 2.72Å; L2637-C2639 VanDerWaalsContact C-N 3.34Å; L2637-C2639 PolarHBondContact O-N 3.25Å; L2637-S2640 PolarHBondContact O-N 3.15Å; L2637-L2641 HydrophobicContact CD1-CD1 4.15Å; L2637-L2641 HydrophobicContact CD1-CG 4.18Å; L2637-L2641 HydrophobicContact CG-CD1 4.04Å; L2637-L2641 HydrophobicContact CG-CG 4.37Å; L2637-L2641 WeakPolarHBondContact O-CB 3.29Å; L2637-L2641 VanDerWaalsContact O-CG 3.28Å; L2637-L2641 WeakPolarHBondContact O-CG 3.33Å; L2637-L2641 PolarHBondContact O-N 3.13Å; L2637-L2656 HydrophobicContact CD1-CD2 4.07Å; L2637-L2656 HydrophobicContact CD2-CD2 4.26Å; L2637-E2660 WeakPolarHBondContact CA-OE1 3.46Å; L2637-E2660 HydrophobicContact CB-CB 4.41Å; L2637-E2660 HydrophobicContact CB-CG 4.21Å; L2637-E2660 HydrophobicContact CD1-CB 4.29Å; L2637-E2660 HydrophobicContact CD1-CG 4.19Å; L2637-E2660 HydrophobicContact CD2-CB 4.41Å; L2637-V2664 HydrophobicContact CD1-CG2 3.56Å; L2637-V2664 HydrophobicContact CD2-CG2 4.35Å; L2637-F2667 HydrophobicContact CD2-CD2 3.26Å; L2637-F2667 HydrophobicContact CD2-CE2 3.45Å; L2637-F2667 VanDerWaalsContact CD2-CE2 3.45Å; L2637-F2667 HydrophobicContact CD2-CG 4.35Å |
| 2638 | K | 59.9 | Low | 54 | Low | 18.6 Ų | 18.6 | 47.8 Ų | 47.8 | 8% | 0.081 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 171.2 | -68.5 | -179 | -175.8 | 172.8 | 0 | 110.8 | L2526 L2613 E2620 I2633 P2634 E2635 S2636 S2640 L2641 I2642 | L2526-K2638 PolarHBondContact O-NZ 3.29Å; L2613-K2638 HydrophobicContact CD1-CB 4.15Å; L2613-K2638 HydrophobicContact CD1-CG 4.31Å; E2620-K2638 VanDerWaalsContact CD-NZ 3.27Å; E2620-K2638 VanDerWaalsContact OE1-CE 3.26Å; E2620-K2638 WeakPolarHBondContact OE1-CE 3.32Å; E2620-K2638 IonicContact OE1-NZ 3.42Å; E2620-K2638 PolarHBondContact OE1-NZ 3.03Å; E2620-K2638 VanDerWaalsContact OE1-NZ 3.17Å; E2620-K2638 IonicContact OE2-NZ 3.76Å; E2620-K2638 PolarHBondContact OE2-NZ 3.2Å; I2633-K2638 HydrophobicContact CB-CD 4.34Å; I2633-K2638 HydrophobicContact CB-CG 4.01Å; I2633-K2638 HydrophobicContact CD1-CD 4.38Å; I2633-K2638 HydrophobicContact CD1-CG 4Å; I2633-K2638 HydrophobicContact CG2-CG 4Å; I2633-K2638 WeakPolarHBondContact O-CE 3.33Å; I2633-K2638 PolarHBondContact O-NZ 3.48Å; P2634-K2638 WeakPolarHBondContact O-CG 3.43Å; P2634-K2638 PolarHBondContact O-N 3.18Å; P2634-K2638 VanDerWaalsContact O-N 3.11Å; E2635-K2638 WeakPolarHBondContact O-CB 3.35Å; E2635-K2638 PolarHBondContact O-N 3.09Å; E2635-K2638 WeakPolarHBondContact OE2-CD 3.32Å; E2635-K2638 WeakPolarHBondContact OE2-CE 3.41Å; E2635-K2638 IonicContact OE2-NZ 2.95Å; E2635-K2638 PolarHBondContact OE2-NZ 3.19Å; S2636-K2638 VanDerWaalsContact C-N 3.34Å; S2636-K2638 PolarHBondContact O-N 2.97Å; K2638-S2640 VanDerWaalsContact C-N 3.35Å; K2638-S2640 PolarHBondContact O-N 3.12Å; K2638-L2641 PolarHBondContact O-N 3.22Å; K2638-I2642 VanDerWaalsContact O-CB 3.27Å; K2638-I2642 WeakPolarHBondContact O-CB 3.23Å; K2638-I2642 VanDerWaalsContact O-CD1 3.29Å; K2638-I2642 WeakPolarHBondContact O-CD1 3.36Å; K2638-I2642 VanDerWaalsContact O-CG1 3.26Å; K2638-I2642 WeakPolarHBondContact O-CG1 3.37Å; K2638-I2642 PolarHBondContact O-N 3.08Å |
| 2639 | C | 53 | Low | 53.1 | Low | 41.6 Ų | 41.6 | 53.3 Ų | 53.3 | 28% | 0.281 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 175.1 | -70.3 | 0 | 0 | 0 | 0 | 112.1 | H2532 R2596 E2635 S2636 L2637 L2641 I2642 N2643 | H2532-C2639 PolarHBondContact NE2-SG 2.83Å; R2596-C2639 VanDerWaalsContact CZ-SG 3.52Å; R2596-C2639 PolarHBondContact NH2-SG 2.88Å; E2635-C2639 VanDerWaalsContact O-CB 3.29Å; E2635-C2639 WeakPolarHBondContact O-CB 3.4Å; E2635-C2639 PolarHBondContact O-N 3.39Å; E2635-C2639 PolarHBondContact O-SG 3.28Å; S2636-C2639 CarbonylContact O-C 3.55Å; S2636-C2639 WeakPolarHBondContact O-CA 3.25Å; S2636-C2639 VanDerWaalsContact O-CB 3.29Å; S2636-C2639 WeakPolarHBondContact O-CB 3.37Å; S2636-C2639 PolarHBondContact O-N 3.28Å; S2636-C2639 VanDerWaalsContact O-N 3.12Å; L2637-C2639 VanDerWaalsContact C-N 3.34Å; L2637-C2639 PolarHBondContact O-N 3.25Å; C2639-L2641 PolarHBondContact O-N 2.93Å; C2639-I2642 PolarHBondContact O-N 3Å; C2639-N2643 VanDerWaalsContact O-CB 3.27Å; C2639-N2643 WeakPolarHBondContact O-CB 3.3Å; C2639-N2643 VanDerWaalsContact O-CG 3.29Å; C2639-N2643 PolarHBondContact O-N 3.1Å; C2639-N2643 PolarHBondContact O-ND2 3.08Å; C2639-N2643 VanDerWaalsContact O-ND2 3.13Å; C2639-N2643 PolarHBondContact O-OD1 2.83Å |
| 2640 | S | 57 | Low | 52.4 | Low | 26 Ų | 26 | 54.2 Ų | 54.2 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 176.4 | -67.7 | 0 | 0 | 0 | 0 | 111.3 | S2636 L2637 K2638 N2643 M2644 E2660 | S2636-S2640 WeakPolarHBondContact O-CB 3.17Å; S2636-S2640 PolarHBondContact O-N 3.23Å; S2636-S2640 PolarHBondContact O-OG 3.04Å; S2636-S2640 VanDerWaalsContact O-OG 3.1Å; L2637-S2640 PolarHBondContact O-N 3.15Å; K2638-S2640 VanDerWaalsContact C-N 3.35Å; K2638-S2640 PolarHBondContact O-N 3.12Å; S2640-N2643 PolarHBondContact O-N 3.23Å; S2640-M2644 VanDerWaalsContact O-CB 3.3Å; S2640-M2644 WeakPolarHBondContact O-CB 3.34Å; S2640-M2644 WeakPolarHBondContact O-CE 3.44Å; S2640-M2644 VanDerWaalsContact O-CG 3.32Å; S2640-M2644 WeakPolarHBondContact O-CG 3.32Å; S2640-M2644 PolarHBondContact O-N 3.08Å; S2640-E2660 WeakPolarHBondContact CB-OE1 3.3Å; S2640-E2660 PolarHBondContact OG-OE1 3.21Å |
| 2641 | L | 59.2 | Low | 51.6 | Low | 15.2 Ų | 15.2 | 59.3 Ų | 59.3 | 8% | 0.08 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 177.2 | -71 | 167.3 | 0 | 0 | 0 | 112.1 | I2603 A2609 I2612 L2613 I2633 L2637 K2638 C2639 N2643 M2644 L2645 | I2603-L2641 HydrophobicContact CD1-CD2 3.71Å; A2609-L2641 HydrophobicContact CB-CD2 3.89Å; I2612-L2641 HydrophobicContact CB-CD1 4.3Å; I2612-L2641 HydrophobicContact CB-CD2 4.24Å; I2612-L2641 HydrophobicContact CD1-CD2 4.37Å; I2612-L2641 HydrophobicContact CG2-CD1 3.62Å; I2612-L2641 HydrophobicContact CG2-CD2 4.31Å; L2613-L2641 HydrophobicContact CB-CB 4.49Å; L2613-L2641 HydrophobicContact CB-CD1 4.19Å; L2613-L2641 HydrophobicContact CD1-CB 4.2Å; L2613-L2641 HydrophobicContact CD1-CD1 4.28Å; I2633-L2641 HydrophobicContact CG2-CD1 4.36Å; L2637-L2641 HydrophobicContact CD1-CD1 4.15Å; L2637-L2641 HydrophobicContact CD1-CG 4.18Å; L2637-L2641 HydrophobicContact CG-CD1 4.04Å; L2637-L2641 HydrophobicContact CG-CG 4.37Å; L2637-L2641 WeakPolarHBondContact O-CB 3.29Å; L2637-L2641 VanDerWaalsContact O-CG 3.28Å; L2637-L2641 WeakPolarHBondContact O-CG 3.33Å; L2637-L2641 PolarHBondContact O-N 3.13Å; K2638-L2641 PolarHBondContact O-N 3.22Å; C2639-L2641 PolarHBondContact O-N 2.93Å; L2641-N2643 PolarHBondContact O-N 3.41Å; L2641-M2644 HydrophobicContact CD2-CE 4.14Å; L2641-M2644 HydrophobicContact CG-CE 4.39Å; L2641-M2644 PolarHBondContact O-N 3.04Å; L2641-L2645 VanDerWaalsContact O-CB 3.3Å; L2641-L2645 WeakPolarHBondContact O-CB 3.39Å; L2641-L2645 WeakPolarHBondContact O-CD1 3.37Å; L2641-L2645 VanDerWaalsContact O-CG 3.27Å; L2641-L2645 WeakPolarHBondContact O-CG 3.3Å; L2641-L2645 PolarHBondContact O-N 3.21Å |
| 2642 | I | 53.5 | Low | 51.3 | Low | 26 Ų | 26 | 56.9 Ų | 56.9 | 13% | 0.133 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 177.4 | -71.5 | 165.8 | 0 | 0 | 0 | 110.3 | H2532 L2536 F2593 L2613 K2638 C2639 M2644 L2645 I2646 | H2532-I2642 HydrophobicContact CB-CG2 4.24Å; L2536-I2642 HydrophobicContact CD1-CD1 3.9Å; L2536-I2642 HydrophobicContact CD1-CG1 4.3Å; F2593-I2642 HydrophobicContact CD2-CD1 3.6Å; F2593-I2642 HydrophobicContact CD2-CG1 4.36Å; F2593-I2642 HydrophobicContact CE2-CD1 3.19Å; F2593-I2642 HydrophobicContact CE2-CG1 3.56Å; F2593-I2642 HydrophobicContact CZ-CD1 3.85Å; F2593-I2642 HydrophobicContact CZ-CG1 3.67Å; L2613-I2642 HydrophobicContact CD1-CD1 4.3Å; L2613-I2642 HydrophobicContact CD1-CG1 4.08Å; L2613-I2642 HydrophobicContact CD2-CG1 4.11Å; K2638-I2642 VanDerWaalsContact O-CB 3.27Å; K2638-I2642 WeakPolarHBondContact O-CB 3.23Å; K2638-I2642 VanDerWaalsContact O-CD1 3.29Å; K2638-I2642 WeakPolarHBondContact O-CD1 3.36Å; K2638-I2642 VanDerWaalsContact O-CG1 3.26Å; K2638-I2642 WeakPolarHBondContact O-CG1 3.37Å; K2638-I2642 PolarHBondContact O-N 3.08Å; C2639-I2642 PolarHBondContact O-N 3Å; I2642-M2644 VanDerWaalsContact C-N 3.32Å; I2642-M2644 PolarHBondContact O-N 3.25Å; I2642-L2645 CarbonylContact O-C 3.57Å; I2642-L2645 PolarHBondContact O-N 3.05Å; I2642-I2646 HydrophobicContact CG2-CD1 3.56Å; I2642-I2646 HydrophobicContact CG2-CG1 4.38Å; I2642-I2646 WeakPolarHBondContact O-CB 3.38Å; I2642-I2646 WeakPolarHBondContact O-CD1 3.22Å; I2642-I2646 VanDerWaalsContact O-CG1 3.27Å; I2642-I2646 WeakPolarHBondContact O-CG1 3.39Å; I2642-I2646 PolarHBondContact O-N 2.95Å; I2642-I2646 VanDerWaalsContact O-N 3.08Å |
| 2643 | N | 51.4 | Low | 51.1 | Low | 67.6 Ų | 67.6 | 57.7 Ų | 57.7 | 36% | 0.361 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 178.5 | -72.3 | -22.2 | 0 | 0 | 0 | 111.9 | H2532 C2639 S2640 L2641 L2645 I2646 L2647 S2980 | H2532-N2643 PolarHBondContact CE1-OD1 3.49Å; C2639-N2643 VanDerWaalsContact O-CB 3.27Å; C2639-N2643 WeakPolarHBondContact O-CB 3.3Å; C2639-N2643 VanDerWaalsContact O-CG 3.29Å; C2639-N2643 PolarHBondContact O-N 3.1Å; C2639-N2643 PolarHBondContact O-ND2 3.08Å; C2639-N2643 VanDerWaalsContact O-ND2 3.13Å; C2639-N2643 PolarHBondContact O-OD1 2.83Å; S2640-N2643 PolarHBondContact O-N 3.23Å; L2641-N2643 PolarHBondContact O-N 3.41Å; N2643-L2645 VanDerWaalsContact C-N 3.31Å; N2643-L2645 PolarHBondContact O-N 2.91Å; N2643-I2646 PolarHBondContact O-N 3.01Å; N2643-L2647 HydrophobicContact CB-CD1 4.3Å; N2643-L2647 VanDerWaalsContact O-CB 3.26Å; N2643-L2647 WeakPolarHBondContact O-CB 3.44Å; N2643-L2647 WeakPolarHBondContact O-CD1 3.47Å; N2643-L2647 VanDerWaalsContact O-CG 3.27Å; N2643-L2647 WeakPolarHBondContact O-CG 3.33Å; N2643-L2647 PolarHBondContact O-N 3.2Å; N2643-S2980 PolarHBondContact ND2-OG 3.15Å; N2643-S2980 VanDerWaalsContact ND2-OG 3.08Å; N2643-S2980 WeakPolarHBondContact OD1-CB 3.35Å; N2643-S2980 PolarHBondContact OD1-OG 3.33Å |
| 2644 | M | 54 | Low | 51 | Low | 32.8 Ų | 32.8 | 59.8 Ų | 59.8 | 16% | 0.162 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 174.3 | -90 | -135.1 | -63.4 | 0 | 0 | 112.4 | I2603 A2609 S2640 L2641 I2642 I2646 L2647 G2648 F2651 F2652 L2654 | I2603-M2644 HydrophobicContact CB-CE 4.36Å; I2603-M2644 HydrophobicContact CD1-CE 4.11Å; I2603-M2644 HydrophobicContact CG2-CE 4.41Å; I2603-M2644 HydrophobicContact CG2-SD 4.18Å; A2609-M2644 HydrophobicContact CB-CE 4.48Å; A2609-M2644 HydrophobicContact CB-SD 3.46Å; A2609-M2644 WeakPolarHBondContact CB-SD 3.31Å; S2640-M2644 VanDerWaalsContact O-CB 3.3Å; S2640-M2644 WeakPolarHBondContact O-CB 3.34Å; S2640-M2644 WeakPolarHBondContact O-CE 3.44Å; S2640-M2644 VanDerWaalsContact O-CG 3.32Å; S2640-M2644 WeakPolarHBondContact O-CG 3.32Å; S2640-M2644 PolarHBondContact O-N 3.08Å; L2641-M2644 HydrophobicContact CD2-CE 4.14Å; L2641-M2644 HydrophobicContact CG-CE 4.39Å; L2641-M2644 PolarHBondContact O-N 3.04Å; I2642-M2644 VanDerWaalsContact C-N 3.32Å; I2642-M2644 PolarHBondContact O-N 3.25Å; M2644-I2646 VanDerWaalsContact C-N 3.29Å; M2644-I2646 PolarHBondContact O-N 3.21Å; M2644-L2647 PolarHBondContact O-N 2.93Å; M2644-L2647 VanDerWaalsContact O-N 3.17Å; M2644-G2648 PolarHBondContact O-N 3.14Å; M2644-F2651 HydrophobicContact CE-CB 3.59Å; M2644-F2651 VanDerWaalsContact CE-O 3.29Å; M2644-F2651 WeakPolarHBondContact CE-O 3.47Å; M2644-F2651 HydrophobicContact CG-CB 4.28Å; M2644-F2651 HydrophobicContact SD-CB 3.66Å; M2644-F2651 WeakPolarHBondContact SD-CB 3.44Å; M2644-F2651 HydrophobicContact SD-CG 4.11Å; M2644-F2652 HydrophobicContact CB-CZ 4.27Å; M2644-F2652 HydrophobicContact CE-CD1 3.73Å; M2644-F2652 HydrophobicContact CE-CD2 4.29Å; M2644-F2652 HydrophobicContact CE-CE1 3.54Å; M2644-F2652 HydrophobicContact CE-CE2 4.14Å; M2644-F2652 HydrophobicContact CE-CG 4.23Å; M2644-F2652 HydrophobicContact CE-CZ 3.9Å; M2644-F2652 HydrophobicContact CG-CD2 4.42Å; M2644-F2652 HydrophobicContact CG-CE1 3.89Å; M2644-F2652 HydrophobicContact CG-CE2 3.67Å; M2644-F2652 HydrophobicContact CG-CZ 3.36Å; M2644-F2652 HydrophobicContact SD-CD1 4.26Å; M2644-F2652 HydrophobicContact SD-CE1 3.51Å; M2644-F2652 WeakPolarHBondContact SD-CE1 3.35Å; M2644-F2652 HydrophobicContact SD-CE2 4.09Å; M2644-F2652 HydrophobicContact SD-CZ 3.76Å; M2644-F2652 WeakPolarHBondContact SD-CZ 3.37Å; M2644-L2654 HydrophobicContact CE-CB 3.71Å; M2644-L2654 HydrophobicContact CE-CD1 4.21Å; M2644-L2654 HydrophobicContact CE-CD2 3.8Å; M2644-L2654 HydrophobicContact CE-CG 4.14Å; M2644-L2654 HydrophobicContact CG-CD2 4.37Å; M2644-L2654 HydrophobicContact SD-CB 3.97Å; M2644-L2654 HydrophobicContact SD-CD1 4.08Å; M2644-L2654 HydrophobicContact SD-CD2 3.95Å; M2644-L2654 HydrophobicContact SD-CG 3.91Å |
| 2645 | L | 49.3 | Very low | 51.1 | Low | 42.8 Ų | 42.8 | 61.9 Ų | 61.9 | 22% | 0.224 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.7 | -30.3 | 177.8 | -70.9 | 167.5 | 0 | 0 | 0 | 112.4 | Y2539 S2606 A2609 Y2610 I2612 L2613 L2641 I2642 N2643 | Y2539-L2645 HydrophobicContact CD1-CB 4.41Å; Y2539-L2645 HydrophobicContact CD2-CB 4.29Å; Y2539-L2645 WeakPolarHBondContact CD2-O 3.42Å; Y2539-L2645 HydrophobicContact CE1-CB 3.99Å; Y2539-L2645 HydrophobicContact CE1-CD1 4.45Å; Y2539-L2645 HydrophobicContact CE1-CD2 4.37Å; Y2539-L2645 HydrophobicContact CE1-CG 4.49Å; Y2539-L2645 HydrophobicContact CE2-CB 3.88Å; Y2539-L2645 WeakPolarHBondContact CE2-O 3.48Å; Y2539-L2645 WeakPolarHBondContact OH-CD2 3.27Å; S2606-L2645 WeakPolarHBondContact O-CD2 3.43Å; A2609-L2645 HydrophobicContact CB-CD1 4.44Å; A2609-L2645 HydrophobicContact CB-CD2 4.04Å; A2609-L2645 HydrophobicContact CB-CG 4.28Å; Y2610-L2645 HydrophobicContact CD1-CD1 3.65Å; Y2610-L2645 HydrophobicContact CD1-CD2 4.13Å; Y2610-L2645 HydrophobicContact CD1-CG 4.41Å; Y2610-L2645 HydrophobicContact CD2-CD1 4.24Å; Y2610-L2645 HydrophobicContact CD2-CD2 3.62Å; Y2610-L2645 HydrophobicContact CE1-CB 4.24Å; Y2610-L2645 HydrophobicContact CE1-CD1 3.75Å; Y2610-L2645 HydrophobicContact CE1-CD2 4.07Å; Y2610-L2645 HydrophobicContact CE1-CG 4.23Å; Y2610-L2645 HydrophobicContact CE2-CD2 3.59Å; Y2610-L2645 HydrophobicContact CG-CD1 4.09Å; Y2610-L2645 HydrophobicContact CG-CD2 3.89Å; I2612-L2645 HydrophobicContact CD1-CB 4.44Å; I2612-L2645 HydrophobicContact CG2-CD1 3.93Å; L2613-L2645 HydrophobicContact CD2-CD1 4.16Å; L2641-L2645 VanDerWaalsContact O-CB 3.3Å; L2641-L2645 WeakPolarHBondContact O-CB 3.39Å; L2641-L2645 WeakPolarHBondContact O-CD1 3.37Å; L2641-L2645 VanDerWaalsContact O-CG 3.27Å; L2641-L2645 WeakPolarHBondContact O-CG 3.3Å; L2641-L2645 PolarHBondContact O-N 3.21Å; I2642-L2645 CarbonylContact O-C 3.57Å; I2642-L2645 PolarHBondContact O-N 3.05Å; N2643-L2645 VanDerWaalsContact C-N 3.31Å; N2643-L2645 PolarHBondContact O-N 2.91Å |
| 2646 | I | 44.5 | Very low | 51.3 | Low | 44.8 Ų | 44.8 | 58.8 Ų | 58.8 | 23% | 0.23 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -76.7 | -42.4 | 174.7 | -69.8 | 164.3 | 0 | 0 | 0 | 111.8 | F2543 L2552 I2556 S2600 D2602 I2603 I2642 N2643 M2644 G2648 | F2543-I2646 WeakPolarHBondContact CZ-O 3.4Å; L2552-I2646 HydrophobicContact CD2-CG2 4.5Å; I2556-I2646 HydrophobicContact CD1-CG2 3.49Å; I2556-I2646 VanDerWaalsContact CD1-CG2 3.49Å; I2556-I2646 HydrophobicContact CG1-CD1 4.31Å; I2556-I2646 HydrophobicContact CG1-CG2 3.59Å; I2556-I2646 HydrophobicContact CG2-CD1 3.86Å; S2600-I2646 VanDerWaalsContact CB-CD1 3.45Å; S2600-I2646 WeakPolarHBondContact OG-CD1 3.32Å; S2600-I2646 WeakPolarHBondContact OG-CG1 3.38Å; D2602-I2646 HydrophobicContact CB-CG2 3.98Å; D2602-I2646 VanDerWaalsContact CB-O 3.27Å; D2602-I2646 WeakPolarHBondContact CB-O 3.3Å; D2602-I2646 VanDerWaalsContact OD2-CG2 3.25Å; D2602-I2646 WeakPolarHBondContact OD2-CG2 3.27Å; I2603-I2646 HydrophobicContact CD1-CB 4.41Å; I2603-I2646 HydrophobicContact CD1-CG1 3.62Å; I2603-I2646 HydrophobicContact CG1-CG1 4.42Å; I2642-I2646 HydrophobicContact CG2-CD1 3.56Å; I2642-I2646 HydrophobicContact CG2-CG1 4.38Å; I2642-I2646 WeakPolarHBondContact O-CB 3.38Å; I2642-I2646 WeakPolarHBondContact O-CD1 3.22Å; I2642-I2646 VanDerWaalsContact O-CG1 3.27Å; I2642-I2646 WeakPolarHBondContact O-CG1 3.39Å; I2642-I2646 PolarHBondContact O-N 2.95Å; I2642-I2646 VanDerWaalsContact O-N 3.08Å; N2643-I2646 PolarHBondContact O-N 3.01Å; M2644-I2646 VanDerWaalsContact C-N 3.29Å; M2644-I2646 PolarHBondContact O-N 3.21Å; I2646-G2648 PolarHBondContact O-N 2.96Å |
| 2647 | L | 44.1 | Very low | 51.7 | Low | 90.4 Ų | 90.4 | 61.3 Ų | 61.3 | 47% | 0.473 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -80.4 | -13.6 | -173.2 | -68.7 | 168.5 | 0 | 0 | 0 | 113.7 | N2643 M2644 E2649 F2651 | N2643-L2647 HydrophobicContact CB-CD1 4.3Å; N2643-L2647 VanDerWaalsContact O-CB 3.26Å; N2643-L2647 WeakPolarHBondContact O-CB 3.44Å; N2643-L2647 WeakPolarHBondContact O-CD1 3.47Å; N2643-L2647 VanDerWaalsContact O-CG 3.27Å; N2643-L2647 WeakPolarHBondContact O-CG 3.33Å; N2643-L2647 PolarHBondContact O-N 3.2Å; M2644-L2647 PolarHBondContact O-N 2.93Å; M2644-L2647 VanDerWaalsContact O-N 3.17Å; L2647-E2649 HydrophobicContact CB-CB 4.36Å; L2647-E2649 HydrophobicContact CB-CG 4.22Å; L2647-E2649 PolarHBondContact O-N 3.1Å; L2647-F2651 HydrophobicContact CB-CD2 3.89Å; L2647-F2651 HydrophobicContact CB-CE2 3.79Å; L2647-F2651 HydrophobicContact CB-CG 4.46Å; L2647-F2651 HydrophobicContact CB-CZ 4.28Å; L2647-F2651 HydrophobicContact CD1-CD2 3.93Å; L2647-F2651 HydrophobicContact CD1-CE1 4.42Å; L2647-F2651 HydrophobicContact CD1-CE2 4.05Å; L2647-F2651 HydrophobicContact CD1-CZ 4.23Å; L2647-F2651 HydrophobicContact CG-CD2 4.48Å; L2647-F2651 HydrophobicContact CG-CE2 4.38Å |
| 2648 | G | 43 | Very low | 51.6 | Low | 33.8 Ų | 33.8 | 66.5 Ų | 66.5 | 35% | 0.348 | 36% | 0.36 | S | S | . | . | trans | 81.7 | -173.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | M2644 I2646 H2650 F2651 | M2644-G2648 PolarHBondContact O-N 3.14Å; I2646-G2648 PolarHBondContact O-N 2.96Å; G2648-H2650 VanDerWaalsContact C-N 3.25Å; G2648-H2650 PolarHBondContact O-N 2.92Å; G2648-H2650 VanDerWaalsContact O-N 3.09Å; G2648-F2651 PolarHBondContact O-N 3.4Å | ||
| 2649 | E | 41.6 | Very low | 51.5 | Low | 135 Ų | 135 | 71.3 Ų | 71.3 | 63% | 0.631 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -67.9 | -6.7 | -165.9 | -64.4 | -171.1 | 151.7 | 0 | 0 | 114.8 | S2606 L2647 F2651 F2652 | S2606-E2649 WeakPolarHBondContact CB-OE1 3.19Å; S2606-E2649 PolarHBondContact OG-OE1 2.91Å; L2647-E2649 HydrophobicContact CB-CB 4.36Å; L2647-E2649 HydrophobicContact CB-CG 4.22Å; L2647-E2649 PolarHBondContact O-N 3.1Å; E2649-F2651 PolarHBondContact O-N 3.15Å; E2649-F2652 PolarHBondContact O-N 2.94Å; E2649-F2652 VanDerWaalsContact O-N 3.15Å |
| 2650 | H | 43 | Very low | 51.8 | Low | 181.8 Ų | 181.8 | 69.7 Ų | 69.7 | 84% | 0.842 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -67 | 0.4 | -180 | -68.5 | -53.8 | 0 | 0 | 0 | 114.8 | G2648 F2652 | G2648-H2650 VanDerWaalsContact C-N 3.25Å; G2648-H2650 PolarHBondContact O-N 2.92Å; G2648-H2650 VanDerWaalsContact O-N 3.09Å; H2650-F2652 PolarHBondContact O-N 2.72Å; H2650-F2652 VanDerWaalsContact O-N 3.08Å |
| 2651 | F | 42.7 | Very low | 52.1 | Low | 122.4 Ų | 122.4 | 70.6 Ų | 70.6 | 54% | 0.537 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -88.5 | 19.8 | 175 | -71.2 | -88.9 | 0 | 0 | 0 | 114.8 | M2644 L2647 G2648 E2649 P2653 L2654 | M2644-F2651 HydrophobicContact CE-CB 3.59Å; M2644-F2651 VanDerWaalsContact CE-O 3.29Å; M2644-F2651 WeakPolarHBondContact CE-O 3.47Å; M2644-F2651 HydrophobicContact CG-CB 4.28Å; M2644-F2651 HydrophobicContact SD-CB 3.66Å; M2644-F2651 WeakPolarHBondContact SD-CB 3.44Å; M2644-F2651 HydrophobicContact SD-CG 4.11Å; L2647-F2651 HydrophobicContact CB-CD2 3.89Å; L2647-F2651 HydrophobicContact CB-CE2 3.79Å; L2647-F2651 HydrophobicContact CB-CG 4.46Å; L2647-F2651 HydrophobicContact CB-CZ 4.28Å; L2647-F2651 HydrophobicContact CD1-CD2 3.93Å; L2647-F2651 HydrophobicContact CD1-CE1 4.42Å; L2647-F2651 HydrophobicContact CD1-CE2 4.05Å; L2647-F2651 HydrophobicContact CD1-CZ 4.23Å; L2647-F2651 HydrophobicContact CG-CD2 4.48Å; L2647-F2651 HydrophobicContact CG-CE2 4.38Å; G2648-F2651 PolarHBondContact O-N 3.4Å; E2649-F2651 PolarHBondContact O-N 3.15Å; F2651-P2653 CarbonylContact O-C 3.57Å; F2651-L2654 WeakPolarHBondContact O-CA 3.32Å; F2651-L2654 PolarHBondContact O-N 2.61Å; F2651-L2654 VanDerWaalsContact O-N 3.08Å |
| 2652 | F | 46.3 | Very low | 52.4 | Low | 66.4 Ų | 66.4 | 74.7 Ų | 74.7 | 29% | 0.291 | 39% | 0.394 | S | S | . | . | trans | -110.2 | 142.9 | 167.3 | -69.4 | -73 | 0 | 0 | 0 | 111 | I2603 V2604 N2605 S2606 A2609 M2644 E2649 H2650 L2654 | I2603-F2652 HydrophobicContact CG2-CD1 4.12Å; I2603-F2652 HydrophobicContact CG2-CE1 3.93Å; I2603-F2652 VanDerWaalsContact O-CD1 3.31Å; I2603-F2652 WeakPolarHBondContact O-CD1 3.34Å; V2604-F2652 WeakPolarHBondContact O-CB 3.36Å; N2605-F2652 VanDerWaalsContact C-CD1 3.45Å; N2605-F2652 VanDerWaalsContact C-CG 3.43Å; N2605-F2652 VanDerWaalsContact CA-CE1 3.48Å; N2605-F2652 VanDerWaalsContact CA-CG 3.48Å; N2605-F2652 VanDerWaalsContact N-CD1 3.32Å; N2605-F2652 WeakPolarHBondContact O-CD1 3.39Å; N2605-F2652 WeakPolarHBondContact O-CE1 3.3Å; S2606-F2652 VanDerWaalsContact CA-CE2 3.5Å; S2606-F2652 VanDerWaalsContact CA-CZ 3.42Å; S2606-F2652 VanDerWaalsContact N-CE1 3.32Å; S2606-F2652 VanDerWaalsContact N-CZ 3.3Å; A2609-F2652 HydrophobicContact CB-CE1 3.82Å; A2609-F2652 VanDerWaalsContact CB-CE1 3.45Å; A2609-F2652 HydrophobicContact CB-CZ 3.77Å; A2609-F2652 VanDerWaalsContact CB-CZ 3.44Å; M2644-F2652 HydrophobicContact CB-CZ 4.27Å; M2644-F2652 HydrophobicContact CE-CD1 3.73Å; M2644-F2652 HydrophobicContact CE-CD2 4.29Å; M2644-F2652 HydrophobicContact CE-CE1 3.54Å; M2644-F2652 HydrophobicContact CE-CE2 4.14Å; M2644-F2652 HydrophobicContact CE-CG 4.23Å; M2644-F2652 HydrophobicContact CE-CZ 3.9Å; M2644-F2652 HydrophobicContact CG-CD2 4.42Å; M2644-F2652 HydrophobicContact CG-CE1 3.89Å; M2644-F2652 HydrophobicContact CG-CE2 3.67Å; M2644-F2652 HydrophobicContact CG-CZ 3.36Å; M2644-F2652 HydrophobicContact SD-CD1 4.26Å; M2644-F2652 HydrophobicContact SD-CE1 3.51Å; M2644-F2652 WeakPolarHBondContact SD-CE1 3.35Å; M2644-F2652 HydrophobicContact SD-CE2 4.09Å; M2644-F2652 HydrophobicContact SD-CZ 3.76Å; M2644-F2652 WeakPolarHBondContact SD-CZ 3.37Å; E2649-F2652 PolarHBondContact O-N 2.94Å; E2649-F2652 VanDerWaalsContact O-N 3.15Å; H2650-F2652 PolarHBondContact O-N 2.72Å; H2650-F2652 VanDerWaalsContact O-N 3.08Å; F2652-L2654 PolarHBondContact O-N 3.25Å | ||
| 2653 | P | 49.9 | Very low | 52.8 | Low | 88.2 Ų | 88.2 | 76.4 Ų | 76.4 | 57% | 0.573 | 40% | 0.401 | S | S | * | . | S | Bend | cis | -79.1 | 134.6 | -14 | 29.3 | -30.2 | 0 | 0 | 0 | 113.2 | D2602 I2603 V2604 F2651 A2655 | D2602-P2653 HydrophobicContact CB-CB 4.11Å; I2603-P2653 CarbonylContact O-C 3.55Å; I2603-P2653 VanDerWaalsContact O-CA 3.25Å; I2603-P2653 WeakPolarHBondContact O-CA 3.3Å; V2604-P2653 HydrophobicContact CG1-CB 4.41Å; F2651-P2653 CarbonylContact O-C 3.57Å; P2653-A2655 VanDerWaalsContact C-N 3.34Å; P2653-A2655 PolarHBondContact O-N 3.45Å |
| 2654 | L | 53.1 | Low | 53.4 | Low | 52 Ų | 52 | 73.8 Ų | 73.8 | 27% | 0.272 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 114.4 | 163.2 | -162.9 | 95.7 | 0 | 0 | 0 | 108.9 | D2602 I2603 M2644 F2651 F2652 L2656 | D2602-L2654 CarbonylContact C-O 3.55Å; D2602-L2654 VanDerWaalsContact CA-O 3.32Å; D2602-L2654 WeakPolarHBondContact CA-O 3.34Å; I2603-L2654 HydrophobicContact CB-CB 4.36Å; I2603-L2654 HydrophobicContact CD1-CD2 4.34Å; I2603-L2654 PolarHBondContact N-O 3.12Å; I2603-L2654 PolarHBondContact O-N 3.17Å; M2644-L2654 HydrophobicContact CE-CB 3.71Å; M2644-L2654 HydrophobicContact CE-CD1 4.21Å; M2644-L2654 HydrophobicContact CE-CD2 3.8Å; M2644-L2654 HydrophobicContact CE-CG 4.14Å; M2644-L2654 HydrophobicContact CG-CD2 4.37Å; M2644-L2654 HydrophobicContact SD-CB 3.97Å; M2644-L2654 HydrophobicContact SD-CD1 4.08Å; M2644-L2654 HydrophobicContact SD-CD2 3.95Å; M2644-L2654 HydrophobicContact SD-CG 3.91Å; F2651-L2654 WeakPolarHBondContact O-CA 3.32Å; F2651-L2654 PolarHBondContact O-N 2.61Å; F2651-L2654 VanDerWaalsContact O-N 3.08Å; F2652-L2654 PolarHBondContact O-N 3.25Å; L2654-L2656 PolarHBondContact O-N 3.27Å |
| 2655 | A | 59 | Low | 54.1 | Low | 66.6 Ų | 66.6 | 75.3 Ų | 75.3 | 55% | 0.55 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 117.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | D2602 P2653 Q2657 | D2602-A2655 VanDerWaalsContact OD1-CA 3.29Å; D2602-A2655 WeakPolarHBondContact OD1-CA 3.24Å; D2602-A2655 WeakPolarHBondContact OD1-CB 3.31Å; P2653-A2655 VanDerWaalsContact C-N 3.34Å; P2653-A2655 PolarHBondContact O-N 3.45Å; A2655-Q2657 PolarHBondContact O-N 3.18Å; A2655-Q2657 VanDerWaalsContact O-N 3.15Å |
| 2656 | L | 58 | Low | 54.8 | Low | 25 Ų | 25 | 75.6 Ų | 75.6 | 13% | 0.131 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 131.9 | 175.2 | -71.4 | 167.1 | 0 | 0 | 0 | 109.8 | I2597 K2601 I2603 L2637 L2654 E2660 Q2661 V2664 | I2597-L2656 HydrophobicContact CG2-CD1 3.85Å; K2601-L2656 WeakPolarHBondContact O-CG 3.47Å; K2601-L2656 PolarHBondContact O-N 3.06Å; K2601-L2656 VanDerWaalsContact O-N 3.14Å; I2603-L2656 HydrophobicContact CD1-CD2 4.07Å; I2603-L2656 HydrophobicContact CG1-CD2 4.35Å; L2637-L2656 HydrophobicContact CD1-CD2 4.07Å; L2637-L2656 HydrophobicContact CD2-CD2 4.26Å; L2654-L2656 PolarHBondContact O-N 3.27Å; L2656-E2660 HydrophobicContact CB-CB 4.33Å; L2656-E2660 HydrophobicContact CD2-CB 4.01Å; L2656-Q2661 HydrophobicContact CB-CB 4.26Å; L2656-Q2661 HydrophobicContact CB-CG 4.34Å; L2656-Q2661 HydrophobicContact CD1-CB 4.29Å; L2656-Q2661 HydrophobicContact CD1-CG 4.15Å; L2656-V2664 HydrophobicContact CD1-CB 4.09Å; L2656-V2664 HydrophobicContact CD1-CG1 4.26Å; L2656-V2664 HydrophobicContact CD1-CG2 4.22Å; L2656-V2664 HydrophobicContact CD2-CG2 4Å |
| 2657 | Q | 62.6 | Low | 55.8 | Low | 102.6 Ų | 102.6 | 73.9 Ų | 73.9 | 48% | 0.479 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 155.9 | 172.8 | -61 | -171.6 | 13 | 0 | 0 | 110 | A2655 E2659 E2660 Q2661 E2954 | A2655-Q2657 PolarHBondContact O-N 3.18Å; A2655-Q2657 VanDerWaalsContact O-N 3.15Å; Q2657-E2659 VanDerWaalsContact C-N 3.25Å; Q2657-E2659 CarbonylContact O-C 3.57Å; Q2657-E2659 PolarHBondContact O-N 3.22Å; Q2657-E2659 VanDerWaalsContact O-N 3.14Å; Q2657-E2660 HydrophobicContact CB-CB 4.47Å; Q2657-E2660 HydrophobicContact CB-CG 4.13Å; Q2657-E2660 WeakPolarHBondContact CB-OE2 3.32Å; Q2657-E2660 WeakPolarHBondContact CG-OE2 3.39Å; Q2657-E2660 PolarHBondContact N-OE2 3.13Å; Q2657-E2660 CarbonylContact O-C 3.51Å; Q2657-E2660 WeakPolarHBondContact O-CA 3.26Å; Q2657-E2660 WeakPolarHBondContact O-CB 3.41Å; Q2657-E2660 PolarHBondContact O-N 3.24Å; Q2657-E2660 VanDerWaalsContact O-N 3.1Å; Q2657-Q2661 WeakPolarHBondContact O-CB 3.31Å; Q2657-Q2661 PolarHBondContact O-N 3.2Å; Q2657-E2954 PolarHBondContact NE2-OE1 3.39Å; Q2657-E2954 PolarHBondContact NE2-OE2 3.38Å |
| 2658 | V | 58.3 | Low | 56.8 | Low | 116.4 Ų | 116.4 | 70.1 Ų | 70.1 | 71% | 0.705 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -55.5 | -37.6 | -177.3 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | Q2661 I2662 | V2658-Q2661 PolarHBondContact O-N 2.85Å; V2658-I2662 HydrophobicContact CG1-CD1 4.06Å; V2658-I2662 WeakPolarHBondContact O-CB 3.25Å; V2658-I2662 WeakPolarHBondContact O-CD1 3.33Å; V2658-I2662 VanDerWaalsContact O-CG1 3.24Å; V2658-I2662 WeakPolarHBondContact O-CG1 3.34Å; V2658-I2662 PolarHBondContact O-N 3.04Å; V2658-I2662 VanDerWaalsContact O-N 3.11Å |
| 2659 | E | 57.6 | Low | 57.9 | Low | 119.4 Ų | 119.4 | 70.6 Ų | 70.6 | 56% | 0.558 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.6 | -49.3 | 173.7 | -64.4 | 178.9 | 178.1 | 0 | 0 | 112 | Q2657 Q2661 I2662 H2663 P3436 | Q2657-E2659 VanDerWaalsContact C-N 3.25Å; Q2657-E2659 CarbonylContact O-C 3.57Å; Q2657-E2659 PolarHBondContact O-N 3.22Å; Q2657-E2659 VanDerWaalsContact O-N 3.14Å; E2659-Q2661 VanDerWaalsContact C-N 3.31Å; E2659-Q2661 PolarHBondContact O-N 3.1Å; E2659-I2662 WeakPolarHBondContact O-CB 3.4Å; E2659-I2662 PolarHBondContact O-N 3Å; E2659-I2662 VanDerWaalsContact O-N 3.17Å; E2659-H2663 PolarHBondContact O-CD2 3.13Å; E2659-H2663 PolarHBondContact O-N 3.16Å; E2659-H2663 VanDerWaalsContact O-N 3.12Å; E2659-P3436 WeakPolarHBondContact OE1-CD 3.43Å; E2659-P3436 WeakPolarHBondContact OE1-CG 3.4Å |
| 2660 | E | 59.5 | Low | 59.1 | Low | 7.6 Ų | 7.6 | 65.9 Ų | 65.9 | 4% | 0.036 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 177.9 | -61.3 | 175.3 | 140.7 | 0 | 0 | 111.7 | L2637 S2640 L2656 Q2657 H2663 V2664 | L2637-E2660 WeakPolarHBondContact CA-OE1 3.46Å; L2637-E2660 HydrophobicContact CB-CB 4.41Å; L2637-E2660 HydrophobicContact CB-CG 4.21Å; L2637-E2660 HydrophobicContact CD1-CB 4.29Å; L2637-E2660 HydrophobicContact CD1-CG 4.19Å; L2637-E2660 HydrophobicContact CD2-CB 4.41Å; S2640-E2660 WeakPolarHBondContact CB-OE1 3.3Å; S2640-E2660 PolarHBondContact OG-OE1 3.21Å; L2656-E2660 HydrophobicContact CB-CB 4.33Å; L2656-E2660 HydrophobicContact CD2-CB 4.01Å; Q2657-E2660 HydrophobicContact CB-CB 4.47Å; Q2657-E2660 HydrophobicContact CB-CG 4.13Å; Q2657-E2660 WeakPolarHBondContact CB-OE2 3.32Å; Q2657-E2660 WeakPolarHBondContact CG-OE2 3.39Å; Q2657-E2660 PolarHBondContact N-OE2 3.13Å; Q2657-E2660 CarbonylContact O-C 3.51Å; Q2657-E2660 WeakPolarHBondContact O-CA 3.26Å; Q2657-E2660 WeakPolarHBondContact O-CB 3.41Å; Q2657-E2660 PolarHBondContact O-N 3.24Å; Q2657-E2660 VanDerWaalsContact O-N 3.1Å; E2660-H2663 CarbonylContact O-C 3.33Å; E2660-H2663 WeakPolarHBondContact O-CA 3.19Å; E2660-H2663 WeakPolarHBondContact O-CB 3.42Å; E2660-H2663 PolarHBondContact O-N 3.25Å; E2660-H2663 VanDerWaalsContact O-N 3.09Å; E2660-V2664 WeakPolarHBondContact O-CG2 3.28Å; E2660-V2664 PolarHBondContact O-N 3.23Å |
| 2661 | Q | 64.3 | Low | 60.2 | Low | 46 Ų | 46 | 58 Ų | 58 | 22% | 0.215 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 176.6 | -173.9 | 96.4 | 51.3 | 0 | 0 | 112.1 | R2598 K2601 L2656 Q2657 V2658 E2659 H2663 V2664 D2665 | R2598-Q2661 PolarHBondContact O-NE2 2.75Å; K2601-Q2661 VanDerWaalsContact NZ-OE1 3.1Å; L2656-Q2661 HydrophobicContact CB-CB 4.26Å; L2656-Q2661 HydrophobicContact CB-CG 4.34Å; L2656-Q2661 HydrophobicContact CD1-CB 4.29Å; L2656-Q2661 HydrophobicContact CD1-CG 4.15Å; Q2657-Q2661 WeakPolarHBondContact O-CB 3.31Å; Q2657-Q2661 PolarHBondContact O-N 3.2Å; V2658-Q2661 PolarHBondContact O-N 2.85Å; E2659-Q2661 VanDerWaalsContact C-N 3.31Å; E2659-Q2661 PolarHBondContact O-N 3.1Å; Q2661-H2663 VanDerWaalsContact C-N 3.28Å; Q2661-H2663 PolarHBondContact O-N 3.12Å; Q2661-V2664 PolarHBondContact O-N 3.21Å; Q2661-D2665 PolarHBondContact NE2-OD1 3.41Å; Q2661-D2665 PolarHBondContact NE2-OD2 3.48Å; Q2661-D2665 WeakPolarHBondContact O-CB 3.36Å; Q2661-D2665 PolarHBondContact O-N 3.36Å |
| 2662 | I | 64 | Low | 61.4 | Low | 101.8 Ų | 101.8 | 56.3 Ų | 56.3 | 52% | 0.522 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58 | -40.2 | 173 | -73.3 | 163.3 | 0 | 0 | 0 | 110.6 | V2658 E2659 D2665 C2666 | V2658-I2662 HydrophobicContact CG1-CD1 4.06Å; V2658-I2662 WeakPolarHBondContact O-CB 3.25Å; V2658-I2662 WeakPolarHBondContact O-CD1 3.33Å; V2658-I2662 VanDerWaalsContact O-CG1 3.24Å; V2658-I2662 WeakPolarHBondContact O-CG1 3.34Å; V2658-I2662 PolarHBondContact O-N 3.04Å; V2658-I2662 VanDerWaalsContact O-N 3.11Å; E2659-I2662 WeakPolarHBondContact O-CB 3.4Å; E2659-I2662 PolarHBondContact O-N 3Å; E2659-I2662 VanDerWaalsContact O-N 3.17Å; I2662-D2665 PolarHBondContact O-N 3.16Å; I2662-C2666 WeakPolarHBondContact O-CB 3.41Å; I2662-C2666 PolarHBondContact O-N 2.89Å; I2662-C2666 PolarHBondContact O-SG 3.44Å; I2662-C2666 VanDerWaalsContact O-SG 3.36Å |
| 2663 | H | 62.9 | Low | 62.1 | Low | 60 Ų | 60 | 54.7 Ų | 54.7 | 28% | 0.278 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.8 | -42.9 | 176.7 | -76.2 | -71.8 | 0 | 0 | 0 | 112.6 | I2630 P2634 E2659 E2660 Q2661 D2665 C2666 F2667 | I2630-H2663 WeakPolarHBondContact CD1-O 3.35Å; P2634-H2663 HydrophobicContact CG-CB 3.89Å; P2634-H2663 VanDerWaalsContact CG-CD2 3.47Å; P2634-H2663 WeakPolarHBondContact CG-CD2 3.38Å; P2634-H2663 VanDerWaalsContact CG-CG 3.47Å; E2659-H2663 PolarHBondContact O-CD2 3.13Å; E2659-H2663 PolarHBondContact O-N 3.16Å; E2659-H2663 VanDerWaalsContact O-N 3.12Å; E2660-H2663 CarbonylContact O-C 3.33Å; E2660-H2663 WeakPolarHBondContact O-CA 3.19Å; E2660-H2663 WeakPolarHBondContact O-CB 3.42Å; E2660-H2663 PolarHBondContact O-N 3.25Å; E2660-H2663 VanDerWaalsContact O-N 3.09Å; Q2661-H2663 VanDerWaalsContact C-N 3.28Å; Q2661-H2663 PolarHBondContact O-N 3.12Å; H2663-D2665 VanDerWaalsContact C-N 3.29Å; H2663-D2665 PolarHBondContact O-N 3.2Å; H2663-C2666 CarbonylContact O-C 3.5Å; H2663-C2666 WeakPolarHBondContact O-CA 3.31Å; H2663-C2666 VanDerWaalsContact O-CB 3.3Å; H2663-C2666 WeakPolarHBondContact O-CB 3.2Å; H2663-C2666 PolarHBondContact O-N 3.38Å; H2663-F2667 HydrophobicContact CB-CE2 4.38Å; H2663-F2667 WeakPolarHBondContact O-CB 3.33Å; H2663-F2667 VanDerWaalsContact O-CD2 3.22Å; H2663-F2667 WeakPolarHBondContact O-CD2 3.34Å; H2663-F2667 PolarHBondContact O-N 3.21Å |
| 2664 | V | 64.6 | Low | 62.8 | Low | 14.4 Ų | 14.4 | 51.5 Ų | 51.5 | 9% | 0.087 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 174.4 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | Y2594 I2597 R2598 L2637 L2656 E2660 Q2661 C2666 F2667 A2668 | Y2594-V2664 HydrophobicContact CD1-CG1 4.46Å; I2597-V2664 HydrophobicContact CB-CG1 4.35Å; I2597-V2664 HydrophobicContact CG2-CG1 4.16Å; I2597-V2664 HydrophobicContact CG2-CG2 4.45Å; R2598-V2664 HydrophobicContact CB-CG1 4.29Å; L2637-V2664 HydrophobicContact CD1-CG2 3.56Å; L2637-V2664 HydrophobicContact CD2-CG2 4.35Å; L2656-V2664 HydrophobicContact CD1-CB 4.09Å; L2656-V2664 HydrophobicContact CD1-CG1 4.26Å; L2656-V2664 HydrophobicContact CD1-CG2 4.22Å; L2656-V2664 HydrophobicContact CD2-CG2 4Å; E2660-V2664 WeakPolarHBondContact O-CG2 3.28Å; E2660-V2664 PolarHBondContact O-N 3.23Å; Q2661-V2664 PolarHBondContact O-N 3.21Å; V2664-C2666 VanDerWaalsContact C-N 3.32Å; V2664-C2666 PolarHBondContact O-N 3.27Å; V2664-F2667 PolarHBondContact O-N 2.94Å; V2664-A2668 VanDerWaalsContact O-CB 3.3Å; V2664-A2668 WeakPolarHBondContact O-CB 3.38Å; V2664-A2668 PolarHBondContact O-N 3.2Å; V2664-A2668 VanDerWaalsContact O-N 3.13Å |
| 2665 | D | 67.2 | Low | 63.3 | Low | 64.4 Ų | 64.4 | 50.9 Ų | 50.9 | 34% | 0.344 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.2 | -39 | 174.5 | -82.4 | -2.2 | 0 | 0 | 0 | 111.9 | R2598 Q2661 I2662 H2663 A2668 G2669 | R2598-D2665 VanDerWaalsContact CD-OD1 3.22Å; R2598-D2665 WeakPolarHBondContact CD-OD1 3.46Å; R2598-D2665 VanDerWaalsContact CG-OD1 3.23Å; R2598-D2665 WeakPolarHBondContact CG-OD1 3.28Å; R2598-D2665 IonicContact CZ-OD1 2.87Å; R2598-D2665 IonicContact CZ-OD2 2.59Å; R2598-D2665 VanDerWaalsContact CZ-OD2 3.23Å; R2598-D2665 IonicContact NE-OD1 3.04Å; R2598-D2665 PolarHBondContact NE-OD1 2.83Å; R2598-D2665 IonicContact NE-OD2 2.71Å; R2598-D2665 PolarHBondContact NE-OD2 3.06Å; R2598-D2665 IonicContact NH2-OD1 2.77Å; R2598-D2665 PolarHBondContact NH2-OD1 2.8Å; R2598-D2665 IonicContact NH2-OD2 3.06Å; R2598-D2665 PolarHBondContact NH2-OD2 3.29Å; Q2661-D2665 PolarHBondContact NE2-OD1 3.41Å; Q2661-D2665 PolarHBondContact NE2-OD2 3.48Å; Q2661-D2665 WeakPolarHBondContact O-CB 3.36Å; Q2661-D2665 PolarHBondContact O-N 3.36Å; I2662-D2665 PolarHBondContact O-N 3.16Å; H2663-D2665 VanDerWaalsContact C-N 3.29Å; H2663-D2665 PolarHBondContact O-N 3.2Å; D2665-A2668 PolarHBondContact O-N 2.87Å; D2665-G2669 PolarHBondContact O-N 3.2Å; D2665-G2669 VanDerWaalsContact O-N 3.14Å |
| 2666 | C | 65.3 | Low | 63.4 | Low | 47.8 Ų | 47.8 | 50.9 Ų | 50.9 | 32% | 0.323 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.7 | -42.4 | 175.9 | -152.5 | 0 | 0 | 0 | 0 | 112.2 | I2630 I2662 H2663 V2664 A2668 G2669 Q2670 | I2630-C2666 HydrophobicContact CD1-CB 3.82Å; I2630-C2666 HydrophobicContact CG1-CB 4.46Å; I2662-C2666 WeakPolarHBondContact O-CB 3.41Å; I2662-C2666 PolarHBondContact O-N 2.89Å; I2662-C2666 PolarHBondContact O-SG 3.44Å; I2662-C2666 VanDerWaalsContact O-SG 3.36Å; H2663-C2666 CarbonylContact O-C 3.5Å; H2663-C2666 WeakPolarHBondContact O-CA 3.31Å; H2663-C2666 VanDerWaalsContact O-CB 3.3Å; H2663-C2666 WeakPolarHBondContact O-CB 3.2Å; H2663-C2666 PolarHBondContact O-N 3.38Å; V2664-C2666 VanDerWaalsContact C-N 3.32Å; V2664-C2666 PolarHBondContact O-N 3.27Å; C2666-A2668 PolarHBondContact O-N 3.09Å; C2666-G2669 PolarHBondContact O-N 3.2Å; C2666-G2669 VanDerWaalsContact O-N 3.13Å; C2666-Q2670 WeakPolarHBondContact O-CB 3.42Å; C2666-Q2670 WeakPolarHBondContact O-CG 3.4Å; C2666-Q2670 PolarHBondContact O-N 3.11Å; C2666-Q2670 PolarHBondContact SG-NE2 3.03Å |
| 2667 | F | 64.2 | Low | 63.4 | Low | 10.2 Ų | 10.2 | 54.5 Ų | 54.5 | 5% | 0.045 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 174.3 | -83.7 | -69.8 | 0 | 0 | 0 | 112.2 | Y2594 T2616 L2619 L2628 I2630 Q2631 I2633 L2637 H2663 V2664 G2669 Q2670 L2671 | Y2594-F2667 HydrophobicContact CD1-CB 4.42Å; Y2594-F2667 HydrophobicContact CG-CB 4.41Å; T2616-F2667 HydrophobicContact CG2-CE1 4.32Å; T2616-F2667 HydrophobicContact CG2-CE2 4.33Å; T2616-F2667 HydrophobicContact CG2-CZ 4.02Å; L2619-F2667 HydrophobicContact CD2-CD1 4.27Å; L2619-F2667 HydrophobicContact CD2-CE1 4.31Å; L2628-F2667 HydrophobicContact CD1-CD1 4.1Å; L2628-F2667 HydrophobicContact CD1-CE1 3.74Å; I2630-F2667 HydrophobicContact CB-CE1 4.15Å; I2630-F2667 HydrophobicContact CB-CE2 4.05Å; I2630-F2667 HydrophobicContact CB-CZ 3.73Å; I2630-F2667 HydrophobicContact CD1-CB 4.17Å; I2630-F2667 HydrophobicContact CD1-CD1 3.99Å; I2630-F2667 HydrophobicContact CD1-CD2 3.29Å; I2630-F2667 HydrophobicContact CD1-CE1 4.15Å; I2630-F2667 HydrophobicContact CD1-CE2 3.46Å; I2630-F2667 VanDerWaalsContact CD1-CE2 3.46Å; I2630-F2667 HydrophobicContact CD1-CG 3.55Å; I2630-F2667 HydrophobicContact CD1-CZ 3.88Å; I2630-F2667 HydrophobicContact CG1-CE2 4.35Å; I2630-F2667 HydrophobicContact CG1-CZ 4.43Å; I2630-F2667 HydrophobicContact CG2-CD1 3.8Å; I2630-F2667 HydrophobicContact CG2-CD2 4.46Å; I2630-F2667 HydrophobicContact CG2-CE1 3.76Å; I2630-F2667 HydrophobicContact CG2-CE2 3.52Å; I2630-F2667 HydrophobicContact CG2-CZ 3.4Å; I2630-F2667 VanDerWaalsContact CG2-CZ 3.4Å; Q2631-F2667 WeakPolarHBondContact O-CE1 3.39Å; Q2631-F2667 VanDerWaalsContact O-CZ 3.22Å; Q2631-F2667 WeakPolarHBondContact O-CZ 3.26Å; I2633-F2667 HydrophobicContact CB-CE2 4.27Å; I2633-F2667 HydrophobicContact CB-CZ 4.18Å; I2633-F2667 HydrophobicContact CD1-CD1 4.3Å; I2633-F2667 HydrophobicContact CD1-CD2 3.91Å; I2633-F2667 HydrophobicContact CD1-CE1 3.85Å; I2633-F2667 HydrophobicContact CD1-CE2 3.92Å; I2633-F2667 HydrophobicContact CD1-CG 4.34Å; I2633-F2667 HydrophobicContact CD1-CZ 3.49Å; I2633-F2667 VanDerWaalsContact CD1-CZ 3.49Å; I2633-F2667 HydrophobicContact CG1-CD2 4.32Å; I2633-F2667 HydrophobicContact CG1-CE1 4.19Å; I2633-F2667 HydrophobicContact CG1-CE2 3.8Å; I2633-F2667 VanDerWaalsContact CG1-CE2 3.45Å; I2633-F2667 HydrophobicContact CG1-CZ 3.64Å; I2633-F2667 VanDerWaalsContact CG1-CZ 3.41Å; I2633-F2667 HydrophobicContact CG2-CE2 4.2Å; I2633-F2667 HydrophobicContact CG2-CZ 4.29Å; L2637-F2667 HydrophobicContact CD2-CD2 3.26Å; L2637-F2667 HydrophobicContact CD2-CE2 3.45Å; L2637-F2667 VanDerWaalsContact CD2-CE2 3.45Å; L2637-F2667 HydrophobicContact CD2-CG 4.35Å; H2663-F2667 HydrophobicContact CB-CE2 4.38Å; H2663-F2667 WeakPolarHBondContact O-CB 3.33Å; H2663-F2667 VanDerWaalsContact O-CD2 3.22Å; H2663-F2667 WeakPolarHBondContact O-CD2 3.34Å; H2663-F2667 PolarHBondContact O-N 3.21Å; V2664-F2667 PolarHBondContact O-N 2.94Å; F2667-G2669 VanDerWaalsContact C-N 3.31Å; F2667-G2669 PolarHBondContact O-N 3.19Å; F2667-Q2670 PolarHBondContact O-N 3.03Å; F2667-L2671 HydrophobicContact CB-CD1 4.45Å; F2667-L2671 WeakPolarHBondContact O-CB 3.19Å; F2667-L2671 WeakPolarHBondContact O-CD1 3.41Å; F2667-L2671 VanDerWaalsContact O-CG 3.29Å; F2667-L2671 WeakPolarHBondContact O-CG 3.34Å; F2667-L2671 PolarHBondContact O-N 3.38Å |
| 2668 | A | 65.3 | Low | 63.2 | Low | 9.6 Ų | 9.6 | 50.7 Ų | 50.7 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q2591 V2664 D2665 C2666 Q2670 L2671 D2672 | Q2591-A2668 PolarHBondContact NE2-O 2.98Å; Q2591-A2668 PolarHBondContact OE1-O 3.06Å; V2664-A2668 VanDerWaalsContact O-CB 3.3Å; V2664-A2668 WeakPolarHBondContact O-CB 3.38Å; V2664-A2668 PolarHBondContact O-N 3.2Å; V2664-A2668 VanDerWaalsContact O-N 3.13Å; D2665-A2668 PolarHBondContact O-N 2.87Å; C2666-A2668 PolarHBondContact O-N 3.09Å; A2668-Q2670 VanDerWaalsContact C-N 3.31Å; A2668-Q2670 PolarHBondContact O-N 3.16Å; A2668-L2671 PolarHBondContact O-N 2.89Å; A2668-D2672 WeakPolarHBondContact O-CB 3.35Å; A2668-D2672 PolarHBondContact O-N 3.2Å; A2668-D2672 VanDerWaalsContact O-N 3.11Å |
| 2669 | G | 66.4 | Low | 63 | Low | 44.4 Ų | 44.4 | 50.7 Ų | 50.7 | 46% | 0.458 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.2 | -38.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D2665 C2666 F2667 D2672 G2673 | D2665-G2669 PolarHBondContact O-N 3.2Å; D2665-G2669 VanDerWaalsContact O-N 3.14Å; C2666-G2669 PolarHBondContact O-N 3.2Å; C2666-G2669 VanDerWaalsContact O-N 3.13Å; F2667-G2669 VanDerWaalsContact C-N 3.31Å; F2667-G2669 PolarHBondContact O-N 3.19Å; G2669-D2672 WeakPolarHBondContact O-CB 3.4Å; G2669-D2672 PolarHBondContact O-N 3.32Å; G2669-G2673 PolarHBondContact O-N 3.08Å; G2669-G2673 VanDerWaalsContact O-N 3.11Å |
| 2670 | Q | 66.2 | Low | 62.7 | Low | 36.8 Ų | 36.8 | 50.6 Ų | 50.6 | 17% | 0.172 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.1 | -38.8 | 176 | -72.4 | 176.6 | -8.5 | 0 | 0 | 112.1 | L2628 E2629 C2666 F2667 A2668 D2672 G2673 I2674 | L2628-Q2670 HydrophobicContact CD2-CB 3.35Å; L2628-Q2670 HydrophobicContact CD2-CG 4.31Å; E2629-Q2670 HydrophobicContact CG-CG 4.4Å; E2629-Q2670 PolarHBondContact O-NE2 2.76Å; E2629-Q2670 PolarHBondContact OE2-NE2 2.96Å; C2666-Q2670 WeakPolarHBondContact O-CB 3.42Å; C2666-Q2670 WeakPolarHBondContact O-CG 3.4Å; C2666-Q2670 PolarHBondContact O-N 3.11Å; C2666-Q2670 PolarHBondContact SG-NE2 3.03Å; F2667-Q2670 PolarHBondContact O-N 3.03Å; A2668-Q2670 VanDerWaalsContact C-N 3.31Å; A2668-Q2670 PolarHBondContact O-N 3.16Å; Q2670-D2672 VanDerWaalsContact C-N 3.31Å; Q2670-D2672 PolarHBondContact O-N 2.76Å; Q2670-G2673 PolarHBondContact O-N 3.08Å; Q2670-G2673 VanDerWaalsContact O-N 3.16Å; Q2670-I2674 WeakPolarHBondContact O-CB 3.31Å; Q2670-I2674 WeakPolarHBondContact O-CD1 3.36Å; Q2670-I2674 VanDerWaalsContact O-CG1 3.29Å; Q2670-I2674 WeakPolarHBondContact O-CG1 3.34Å; Q2670-I2674 PolarHBondContact O-N 3.17Å |
| 2671 | L | 67.5 | Low | 61.9 | Low | 16.2 Ų | 16.2 | 54.3 Ų | 54.3 | 9% | 0.085 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 175.1 | -73.7 | 169.9 | 0 | 0 | 0 | 112.1 | L2587 Q2591 Y2594 L2619 I2630 F2667 A2668 G2673 I2674 K2675 | L2587-L2671 HydrophobicContact CD2-CD2 3.62Å; Q2591-L2671 HydrophobicContact CB-CB 4.41Å; Q2591-L2671 HydrophobicContact CB-CD1 4.41Å; Q2591-L2671 VanDerWaalsContact OE1-CB 3.27Å; Y2594-L2671 HydrophobicContact CD2-CD1 3.77Å; Y2594-L2671 HydrophobicContact CE2-CD1 3.97Å; L2619-L2671 HydrophobicContact CD1-CD2 4.09Å; L2619-L2671 HydrophobicContact CD2-CD1 4.47Å; L2619-L2671 HydrophobicContact CD2-CD2 4.38Å; I2630-L2671 HydrophobicContact CD1-CD2 4.21Å; F2667-L2671 HydrophobicContact CB-CD1 4.45Å; F2667-L2671 WeakPolarHBondContact O-CB 3.19Å; F2667-L2671 WeakPolarHBondContact O-CD1 3.41Å; F2667-L2671 VanDerWaalsContact O-CG 3.29Å; F2667-L2671 WeakPolarHBondContact O-CG 3.34Å; F2667-L2671 PolarHBondContact O-N 3.38Å; A2668-L2671 PolarHBondContact O-N 2.89Å; L2671-G2673 VanDerWaalsContact C-N 3.32Å; L2671-G2673 PolarHBondContact O-N 3.23Å; L2671-I2674 PolarHBondContact O-N 3.15Å; L2671-K2675 VanDerWaalsContact O-CB 3.29Å; L2671-K2675 WeakPolarHBondContact O-CB 3.33Å; L2671-K2675 WeakPolarHBondContact O-CD 3.49Å; L2671-K2675 WeakPolarHBondContact O-CG 3.35Å; L2671-K2675 PolarHBondContact O-N 3.13Å |
| 2672 | D | 66.4 | Low | 60.8 | Low | 87 Ų | 87 | 59.5 Ų | 59.5 | 47% | 0.465 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 171.3 | -86 | -36 | 0 | 0 | 0 | 111.8 | Q2591 A2668 G2669 Q2670 I2674 K2675 S2676 | Q2591-D2672 VanDerWaalsContact NE2-CG 3.32Å; Q2591-D2672 PolarHBondContact NE2-OD1 2.93Å; Q2591-D2672 PolarHBondContact NE2-OD2 3.04Å; A2668-D2672 WeakPolarHBondContact O-CB 3.35Å; A2668-D2672 PolarHBondContact O-N 3.2Å; A2668-D2672 VanDerWaalsContact O-N 3.11Å; G2669-D2672 WeakPolarHBondContact O-CB 3.4Å; G2669-D2672 PolarHBondContact O-N 3.32Å; Q2670-D2672 VanDerWaalsContact C-N 3.31Å; Q2670-D2672 PolarHBondContact O-N 2.76Å; D2672-I2674 PolarHBondContact O-N 3.08Å; D2672-K2675 PolarHBondContact O-N 3.3Å; D2672-K2675 IonicContact OD1-NZ 2.64Å; D2672-K2675 PolarHBondContact OD1-NZ 3.26Å; D2672-S2676 WeakPolarHBondContact O-CB 3.38Å; D2672-S2676 PolarHBondContact O-N 3.04Å; D2672-S2676 PolarHBondContact O-OG 3.24Å |
| 2673 | G | 62.6 | Low | 59.7 | Low | 32.2 Ų | 32.2 | 60.8 Ų | 60.8 | 33% | 0.332 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -56 | -53.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G2669 Q2670 L2671 K2675 S2676 E2677 | G2669-G2673 PolarHBondContact O-N 3.08Å; G2669-G2673 VanDerWaalsContact O-N 3.11Å; Q2670-G2673 PolarHBondContact O-N 3.08Å; Q2670-G2673 VanDerWaalsContact O-N 3.16Å; L2671-G2673 VanDerWaalsContact C-N 3.32Å; L2671-G2673 PolarHBondContact O-N 3.23Å; G2673-K2675 PolarHBondContact O-N 3.4Å; G2673-S2676 WeakPolarHBondContact O-CA 3.48Å; G2673-S2676 WeakPolarHBondContact O-CB 3.18Å; G2673-S2676 PolarHBondContact O-N 3.23Å; G2673-S2676 VanDerWaalsContact O-N 3.12Å; G2673-S2676 PolarHBondContact O-OG 3.06Å; G2673-E2677 VanDerWaalsContact O-CG 3.27Å; G2673-E2677 WeakPolarHBondContact O-CG 3.33Å; G2673-E2677 PolarHBondContact O-N 3.18Å |
| 2674 | I | 63.7 | Low | 58.6 | Low | 21.2 Ų | 21.2 | 63.2 Ų | 63.2 | 11% | 0.109 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.9 | -38.3 | -178.5 | -67.9 | 163 | 0 | 0 | 0 | 111.9 | L2587 Y2626 L2628 I2630 Q2670 L2671 D2672 S2676 E2677 L2678 | L2587-I2674 HydrophobicContact CD1-CG2 3.84Å; Y2626-I2674 HydrophobicContact CD2-CG2 4.33Å; Y2626-I2674 HydrophobicContact CG-CG2 4.43Å; Y2626-I2674 WeakPolarHBondContact O-CD1 3.37Å; L2628-I2674 HydrophobicContact CB-CD1 4.06Å; L2628-I2674 HydrophobicContact CD1-CG2 4.47Å; L2628-I2674 HydrophobicContact CD2-CD1 3.28Å; L2628-I2674 HydrophobicContact CD2-CG1 4.43Å; L2628-I2674 HydrophobicContact CD2-CG2 4.08Å; L2628-I2674 HydrophobicContact CG-CD1 3.63Å; I2630-I2674 HydrophobicContact CD1-CD1 3.75Å; I2630-I2674 HydrophobicContact CG1-CD1 3.33Å; Q2670-I2674 WeakPolarHBondContact O-CB 3.31Å; Q2670-I2674 WeakPolarHBondContact O-CD1 3.36Å; Q2670-I2674 VanDerWaalsContact O-CG1 3.29Å; Q2670-I2674 WeakPolarHBondContact O-CG1 3.34Å; Q2670-I2674 PolarHBondContact O-N 3.17Å; L2671-I2674 PolarHBondContact O-N 3.15Å; D2672-I2674 PolarHBondContact O-N 3.08Å; I2674-S2676 VanDerWaalsContact C-N 3.32Å; I2674-S2676 PolarHBondContact O-N 3.17Å; I2674-E2677 WeakPolarHBondContact O-CB 3.45Å; I2674-E2677 PolarHBondContact O-N 3.05Å; I2674-L2678 HydrophobicContact CG2-CD1 3.87Å; I2674-L2678 VanDerWaalsContact CG2-CD1 3.41Å; I2674-L2678 HydrophobicContact CG2-CG 4.17Å; I2674-L2678 VanDerWaalsContact O-CB 3.29Å; I2674-L2678 WeakPolarHBondContact O-CB 3.34Å; I2674-L2678 VanDerWaalsContact O-CG 3.29Å; I2674-L2678 WeakPolarHBondContact O-CG 3.31Å; I2674-L2678 PolarHBondContact O-N 3.14Å |
| 2675 | K | 64.1 | Low | 57.4 | Low | 38.8 Ų | 38.8 | 65.4 Ų | 65.4 | 17% | 0.169 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 172 | -78.1 | 177.6 | 85.8 | 179.3 | 0 | 111.4 | Y2584 L2587 E2588 Q2591 L2671 D2672 G2673 E2677 L2678 I2679 | Y2584-K2675 HydrophobicContact CD2-CG 4.28Å; Y2584-K2675 HydrophobicContact CE2-CB 4.04Å; Y2584-K2675 HydrophobicContact CE2-CD 4.38Å; Y2584-K2675 HydrophobicContact CE2-CG 4.02Å; Y2584-K2675 VanDerWaalsContact CZ-CE 3.41Å; Y2584-K2675 VanDerWaalsContact OH-CE 3.25Å; Y2584-K2675 WeakPolarHBondContact OH-CE 3.35Å; L2587-K2675 HydrophobicContact CB-CG 4.25Å; E2588-K2675 HydrophobicContact CB-CD 4.43Å; E2588-K2675 VanDerWaalsContact CD-NZ 3.27Å; E2588-K2675 VanDerWaalsContact CG-NZ 3.29Å; E2588-K2675 WeakPolarHBondContact OE1-CE 3.37Å; E2588-K2675 IonicContact OE1-NZ 3.11Å; E2588-K2675 PolarHBondContact OE1-NZ 3.02Å; Q2591-K2675 HydrophobicContact CB-CD 4.35Å; Q2591-K2675 VanDerWaalsContact OE1-CD 3.25Å; L2671-K2675 VanDerWaalsContact O-CB 3.29Å; L2671-K2675 WeakPolarHBondContact O-CB 3.33Å; L2671-K2675 WeakPolarHBondContact O-CD 3.49Å; L2671-K2675 WeakPolarHBondContact O-CG 3.35Å; L2671-K2675 PolarHBondContact O-N 3.13Å; D2672-K2675 PolarHBondContact O-N 3.3Å; D2672-K2675 IonicContact OD1-NZ 2.64Å; D2672-K2675 PolarHBondContact OD1-NZ 3.26Å; G2673-K2675 PolarHBondContact O-N 3.4Å; K2675-E2677 VanDerWaalsContact C-N 3.3Å; K2675-E2677 PolarHBondContact O-N 3.1Å; K2675-L2678 PolarHBondContact O-N 3.12Å; K2675-I2679 WeakPolarHBondContact O-CB 3.46Å; K2675-I2679 VanDerWaalsContact O-CD1 3.22Å; K2675-I2679 WeakPolarHBondContact O-CD1 3.18Å; K2675-I2679 VanDerWaalsContact O-CG1 3.3Å; K2675-I2679 WeakPolarHBondContact O-CG1 3.27Å; K2675-I2679 PolarHBondContact O-N 3.11Å; K2675-I2679 VanDerWaalsContact O-N 3.14Å |
| 2676 | S | 61.1 | Low | 56 | Low | 66.2 Ų | 66.2 | 71.3 Ų | 71.3 | 46% | 0.463 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.6 | -36.8 | 177.5 | 81.4 | 0 | 0 | 0 | 0 | 112.6 | D2672 G2673 I2674 I2679 N2680 | D2672-S2676 WeakPolarHBondContact O-CB 3.38Å; D2672-S2676 PolarHBondContact O-N 3.04Å; D2672-S2676 PolarHBondContact O-OG 3.24Å; G2673-S2676 WeakPolarHBondContact O-CA 3.48Å; G2673-S2676 WeakPolarHBondContact O-CB 3.18Å; G2673-S2676 PolarHBondContact O-N 3.23Å; G2673-S2676 VanDerWaalsContact O-N 3.12Å; G2673-S2676 PolarHBondContact O-OG 3.06Å; I2674-S2676 VanDerWaalsContact C-N 3.32Å; I2674-S2676 PolarHBondContact O-N 3.17Å; S2676-I2679 PolarHBondContact O-N 3.03Å; S2676-N2680 VanDerWaalsContact O-CB 3.31Å; S2676-N2680 WeakPolarHBondContact O-CB 3.44Å; S2676-N2680 PolarHBondContact O-N 3.1Å; S2676-N2680 PolarHBondContact O-ND2 2.86Å |
| 2677 | E | 58.2 | Low | 54.6 | Low | 102 Ų | 102 | 72.4 Ų | 72.4 | 48% | 0.477 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.7 | -44.4 | 173.7 | -71.7 | -131.6 | 120.9 | 0 | 0 | 112.2 | G2673 I2674 K2675 I2679 N2680 T2681 K2683 | G2673-E2677 VanDerWaalsContact O-CG 3.27Å; G2673-E2677 WeakPolarHBondContact O-CG 3.33Å; G2673-E2677 PolarHBondContact O-N 3.18Å; I2674-E2677 WeakPolarHBondContact O-CB 3.45Å; I2674-E2677 PolarHBondContact O-N 3.05Å; K2675-E2677 VanDerWaalsContact C-N 3.3Å; K2675-E2677 PolarHBondContact O-N 3.1Å; E2677-I2679 VanDerWaalsContact C-N 3.32Å; E2677-I2679 PolarHBondContact O-N 3.1Å; E2677-N2680 WeakPolarHBondContact O-CB 3.25Å; E2677-N2680 PolarHBondContact O-N 3.06Å; E2677-N2680 VanDerWaalsContact O-N 3.14Å; E2677-T2681 WeakPolarHBondContact O-CB 3.38Å; E2677-T2681 PolarHBondContact O-N 3.07Å; E2677-T2681 PolarHBondContact O-OG1 3.05Å; E2677-K2683 IonicContact OE1-NZ 3.27Å; E2677-K2683 PolarHBondContact OE1-NZ 3.15Å; E2677-K2683 WeakPolarHBondContact OE2-CD 3.48Å; E2677-K2683 IonicContact OE2-NZ 3.14Å; E2677-K2683 PolarHBondContact OE2-NZ 3.11Å |
| 2678 | L | 58 | Low | 53.3 | Low | 22.6 Ų | 22.6 | 75.5 Ų | 75.5 | 12% | 0.118 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.6 | -29.7 | 178.5 | -77.6 | 169.2 | 0 | 0 | 0 | 112.9 | K2580 L2583 Y2584 L2587 Y2626 I2674 K2675 N2680 V2685 | K2580-L2678 HydrophobicContact CD-CD2 4.49Å; K2580-L2678 WeakPolarHBondContact CE-O 3.26Å; K2580-L2678 HydrophobicContact CG-CD2 4.04Å; K2580-L2678 PolarHBondContact NZ-O 3.28Å; L2583-L2678 HydrophobicContact CD2-CD1 4.49Å; L2583-L2678 HydrophobicContact CD2-CD2 4.44Å; L2583-L2678 HydrophobicContact CG-CD1 4.49Å; Y2584-L2678 HydrophobicContact CD2-CB 4.22Å; Y2584-L2678 HydrophobicContact CD2-CD1 4.3Å; L2587-L2678 HydrophobicContact CD1-CD1 3.4Å; L2587-L2678 VanDerWaalsContact CD1-CD1 3.47Å; Y2626-L2678 HydrophobicContact CD1-CD1 4.21Å; Y2626-L2678 HydrophobicContact CD1-CD2 3.91Å; Y2626-L2678 HydrophobicContact CD2-CD1 3.82Å; Y2626-L2678 HydrophobicContact CE1-CD1 3.96Å; Y2626-L2678 HydrophobicContact CE1-CD2 3.55Å; Y2626-L2678 HydrophobicContact CE1-CG 4.37Å; Y2626-L2678 HydrophobicContact CE2-CD1 3.51Å; Y2626-L2678 HydrophobicContact CG-CD1 4.14Å; I2674-L2678 HydrophobicContact CG2-CD1 3.87Å; I2674-L2678 VanDerWaalsContact CG2-CD1 3.41Å; I2674-L2678 HydrophobicContact CG2-CG 4.17Å; I2674-L2678 VanDerWaalsContact O-CB 3.29Å; I2674-L2678 WeakPolarHBondContact O-CB 3.34Å; I2674-L2678 VanDerWaalsContact O-CG 3.29Å; I2674-L2678 WeakPolarHBondContact O-CG 3.31Å; I2674-L2678 PolarHBondContact O-N 3.14Å; K2675-L2678 PolarHBondContact O-N 3.12Å; L2678-N2680 VanDerWaalsContact C-N 3.3Å; L2678-N2680 PolarHBondContact O-N 3.22Å; L2678-V2685 HydrophobicContact CD2-CB 4.29Å; L2678-V2685 HydrophobicContact CD2-CG2 3.79Å |
| 2679 | I | 54.8 | Low | 51.5 | Low | 115.6 Ų | 115.6 | 79.7 Ų | 79.7 | 59% | 0.593 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67.1 | -33.8 | 174.8 | -71.4 | 164.6 | 0 | 0 | 0 | 111.4 | Y2584 K2675 S2676 E2677 T2681 | Y2584-I2679 HydrophobicContact CD2-CG1 4.43Å; Y2584-I2679 HydrophobicContact CE2-CD1 3.94Å; Y2584-I2679 HydrophobicContact CE2-CG1 3.74Å; Y2584-I2679 WeakPolarHBondContact OH-CD1 3.32Å; K2675-I2679 WeakPolarHBondContact O-CB 3.46Å; K2675-I2679 VanDerWaalsContact O-CD1 3.22Å; K2675-I2679 WeakPolarHBondContact O-CD1 3.18Å; K2675-I2679 VanDerWaalsContact O-CG1 3.3Å; K2675-I2679 WeakPolarHBondContact O-CG1 3.27Å; K2675-I2679 PolarHBondContact O-N 3.11Å; K2675-I2679 VanDerWaalsContact O-N 3.14Å; S2676-I2679 PolarHBondContact O-N 3.03Å; E2677-I2679 VanDerWaalsContact C-N 3.32Å; E2677-I2679 PolarHBondContact O-N 3.1Å; I2679-T2681 PolarHBondContact O-N 3.24Å |
| 2680 | N | 50.5 | Low | 49.6 | Very low | 118.2 Ų | 118.2 | 84.8 Ų | 84.8 | 63% | 0.632 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -83 | 36.2 | -174.7 | -80.3 | -48.2 | 0 | 0 | 0 | 114.7 | K2580 S2676 E2677 L2678 D2682 | K2580-N2680 PolarHBondContact NZ-O 2.83Å; S2676-N2680 VanDerWaalsContact O-CB 3.31Å; S2676-N2680 WeakPolarHBondContact O-CB 3.44Å; S2676-N2680 PolarHBondContact O-N 3.1Å; S2676-N2680 PolarHBondContact O-ND2 2.86Å; E2677-N2680 WeakPolarHBondContact O-CB 3.25Å; E2677-N2680 PolarHBondContact O-N 3.06Å; E2677-N2680 VanDerWaalsContact O-N 3.14Å; L2678-N2680 VanDerWaalsContact C-N 3.3Å; L2678-N2680 PolarHBondContact O-N 3.22Å; N2680-D2682 VanDerWaalsContact C-N 3.33Å; N2680-D2682 PolarHBondContact O-N 3.27Å |
| 2681 | T | 43.3 | Very low | 47.6 | Very low | 84.2 Ų | 84.2 | 88.4 Ų | 88.4 | 52% | 0.517 | 48% | 0.476 | S | S | . | . | trans | -111.2 | 72.2 | -172.9 | 52.7 | 0 | 0 | 0 | 0 | 115.3 | K2580 E2677 I2679 K2683 | K2580-T2681 PolarHBondContact NZ-O 3.08Å; E2677-T2681 WeakPolarHBondContact O-CB 3.38Å; E2677-T2681 PolarHBondContact O-N 3.07Å; E2677-T2681 PolarHBondContact O-OG1 3.05Å; I2679-T2681 PolarHBondContact O-N 3.24Å; T2681-K2683 HydrophobicContact CG2-CG 4.46Å; T2681-K2683 PolarHBondContact O-N 3.16Å; T2681-K2683 VanDerWaalsContact O-N 3.1Å; T2681-K2683 VanDerWaalsContact OG1-CB 3.28Å; T2681-K2683 WeakPolarHBondContact OG1-CB 3.37Å; T2681-K2683 WeakPolarHBondContact OG1-CG 3.28Å; T2681-K2683 PolarHBondContact OG1-N 3.34Å | ||
| 2682 | D | 40.6 | Very low | 45.5 | Very low | 155.8 Ų | 155.8 | 93.1 Ų | 93.1 | 83% | 0.833 | 51% | 0.505 | S | S | * | . | trans | -65.8 | -2.3 | 170.6 | -64.7 | -17 | 0 | 0 | 0 | 115.3 | N2680 V2684 | N2680-D2682 VanDerWaalsContact C-N 3.33Å; N2680-D2682 PolarHBondContact O-N 3.27Å; D2682-V2684 PolarHBondContact O-N 3.19Å; D2682-V2684 VanDerWaalsContact O-N 3.1Å | ||
| 2683 | K | 41.2 | Very low | 43.4 | Very low | 129.6 Ų | 129.6 | 93.8 Ų | 93.8 | 56% | 0.563 | 51% | 0.513 | S | S | * | . | trans | -80.7 | 99.6 | 172.9 | -75.1 | -174.3 | 174.6 | -176.7 | 0 | 110.2 | E2677 T2681 V2685 | E2677-K2683 IonicContact OE1-NZ 3.27Å; E2677-K2683 PolarHBondContact OE1-NZ 3.15Å; E2677-K2683 WeakPolarHBondContact OE2-CD 3.48Å; E2677-K2683 IonicContact OE2-NZ 3.14Å; E2677-K2683 PolarHBondContact OE2-NZ 3.11Å; T2681-K2683 HydrophobicContact CG2-CG 4.46Å; T2681-K2683 PolarHBondContact O-N 3.16Å; T2681-K2683 VanDerWaalsContact O-N 3.1Å; T2681-K2683 VanDerWaalsContact OG1-CB 3.28Å; T2681-K2683 WeakPolarHBondContact OG1-CB 3.37Å; T2681-K2683 WeakPolarHBondContact OG1-CG 3.28Å; T2681-K2683 PolarHBondContact OG1-N 3.34Å; K2683-V2685 PolarHBondContact O-N 2.91Å; K2683-V2685 VanDerWaalsContact O-N 3.13Å | ||
| 2684 | V | 38.1 | Very low | 41.5 | Very low | 109 Ų | 109 | 96.1 Ų | 96.1 | 66% | 0.661 | 53% | 0.528 | S | S | * | . | trans | -79.6 | 95.4 | 175.3 | -172.2 | 0 | 0 | 0 | 0 | 109.6 | D2682 R2686 | D2682-V2684 PolarHBondContact O-N 3.19Å; D2682-V2684 VanDerWaalsContact O-N 3.1Å; V2684-R2686 HydrophobicContact CB-CG 4.42Å; V2684-R2686 HydrophobicContact CG1-CB 4.5Å; V2684-R2686 HydrophobicContact CG1-CG 3.76Å; V2684-R2686 PolarHBondContact O-N 3.23Å; V2684-R2686 VanDerWaalsContact O-N 3.14Å | ||
| 2685 | V | 40.8 | Very low | 39.5 | Very low | 61.6 Ų | 61.6 | 102.9 Ų | 102.9 | 37% | 0.373 | 56% | 0.56 | S | S | . | * | trans | -69.8 | 109.6 | 163.1 | -177 | 0 | 0 | 0 | 0 | 107.3 | L2583 Y2626 L2628 L2678 K2683 | L2583-V2685 HydrophobicContact CD2-CB 4.47Å; L2583-V2685 HydrophobicContact CD2-CG1 4.12Å; Y2626-V2685 HydrophobicContact CD1-CG1 3.91Å; Y2626-V2685 HydrophobicContact CG-CG1 4.27Å; L2628-V2685 HydrophobicContact CD2-CG1 4.3Å; L2678-V2685 HydrophobicContact CD2-CB 4.29Å; L2678-V2685 HydrophobicContact CD2-CG2 3.79Å; K2683-V2685 PolarHBondContact O-N 2.91Å; K2683-V2685 VanDerWaalsContact O-N 3.13Å | ||
| 2686 | R | 36.6 | Very low | 37.4 | Very low | 187.8 Ų | 187.8 | 109.2 Ų | 109.2 | 71% | 0.709 | 59% | 0.589 | S | S | * | * | trans | -97.5 | 139.5 | 176.9 | -65.6 | -175.5 | 178.3 | 175.4 | -0.6 | 109.1 | V2684 T2688 | V2684-R2686 HydrophobicContact CB-CG 4.42Å; V2684-R2686 HydrophobicContact CG1-CB 4.5Å; V2684-R2686 HydrophobicContact CG1-CG 3.76Å; V2684-R2686 PolarHBondContact O-N 3.23Å; V2684-R2686 VanDerWaalsContact O-N 3.14Å; R2686-T2688 HydrophobicContact CB-CG2 4.29Å; R2686-T2688 WeakPolarHBondContact CB-OG1 3.08Å; R2686-T2688 PolarHBondContact O-N 3.18Å; R2686-T2688 PolarHBondContact O-OG1 3.47Å | ||
| 2687 | P | 37.1 | Very low | 35.6 | Very low | 71.2 Ų | 71.2 | 111.3 Ų | 111.3 | 46% | 0.462 | 60% | 0.602 | S | S | . | * | trans | -58.7 | 125.8 | 163.8 | -2.2 | 7.9 | 0 | 0 | 0 | 109.1 | L2625 Y2626 T2689 L2690 | L2625-P2687 VanDerWaalsContact O-CA 3.25Å; L2625-P2687 WeakPolarHBondContact O-CA 3.34Å; Y2626-P2687 HydrophobicContact CD1-CB 4.37Å; Y2626-P2687 HydrophobicContact CD1-CG 4.34Å; Y2626-P2687 HydrophobicContact CE1-CB 3.99Å; Y2626-P2687 HydrophobicContact CE1-CG 4.11Å; P2687-T2689 CarbonylContact O-C 3.53Å; P2687-T2689 PolarHBondContact O-N 3.35Å; P2687-L2690 PolarHBondContact O-N 3.37Å | ||
| 2688 | T | 35.5 | Very low | 33.8 | Very low | 74.6 Ų | 74.6 | 112.4 Ų | 112.4 | 46% | 0.458 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -70.4 | 12.1 | -171.4 | -4.1 | 0 | 0 | 0 | 0 | 111.9 | R2624 L2625 S2627 R2686 L2690 E2967 | R2624-T2688 PolarHBondContact O-OG1 3.22Å; L2625-T2688 PolarHBondContact O-N 3.33Å; L2625-T2688 VanDerWaalsContact O-N 3.12Å; L2625-T2688 PolarHBondContact O-OG1 2.97Å; S2627-T2688 VanDerWaalsContact OG-CG2 3.27Å; S2627-T2688 WeakPolarHBondContact OG-CG2 3.27Å; S2627-T2688 PolarHBondContact OG-OG1 3.02Å; R2686-T2688 HydrophobicContact CB-CG2 4.29Å; R2686-T2688 WeakPolarHBondContact CB-OG1 3.08Å; R2686-T2688 PolarHBondContact O-N 3.18Å; R2686-T2688 PolarHBondContact O-OG1 3.47Å; T2688-L2690 PolarHBondContact O-N 3.29Å; T2688-L2690 VanDerWaalsContact O-N 3.09Å; T2688-E2967 WeakPolarHBondContact CA-OE2 3.43Å; T2688-E2967 WeakPolarHBondContact CB-OE1 3.34Å; T2688-E2967 WeakPolarHBondContact CB-OE2 3.37Å; T2688-E2967 WeakPolarHBondContact CG2-OE1 3.42Å; T2688-E2967 WeakPolarHBondContact CG2-OE2 3.5Å |
| 2689 | T | 27.9 | Very low | 32.1 | Very low | 99.2 Ų | 99.2 | 119 Ų | 119 | 61% | 0.609 | 65% | 0.647 | S | S | * | * | trans | -91.8 | 113.7 | 178.8 | 47.9 | 0 | 0 | 0 | 0 | 110.7 | R2537 P2687 I2691 | R2537-T2689 PolarHBondContact NH1-OG1 2.65Å; R2537-T2689 PolarHBondContact NH2-OG1 3.18Å; P2687-T2689 CarbonylContact O-C 3.53Å; P2687-T2689 PolarHBondContact O-N 3.35Å; T2689-I2691 PolarHBondContact O-N 3.34Å | ||
| 2690 | L | 26.1 | Very low | 30.5 | Very low | 151.8 Ų | 151.8 | 117.7 Ų | 117.7 | 80% | 0.795 | 65% | 0.648 | S | S | * | * | trans | -51.1 | 100 | 165.3 | -130 | 144.5 | 0 | 0 | 0 | 108.8 | P2687 T2688 T2692 | P2687-L2690 PolarHBondContact O-N 3.37Å; T2688-L2690 PolarHBondContact O-N 3.29Å; T2688-L2690 VanDerWaalsContact O-N 3.09Å; L2690-T2692 VanDerWaalsContact C-N 3.3Å; L2690-T2692 HydrophobicContact CB-CG2 4.35Å; L2690-T2692 HydrophobicContact CD2-CG2 3.77Å; L2690-T2692 PolarHBondContact O-N 2.96Å | ||
| 2691 | I | 25.3 | Very low | 29.2 | Very low | 110.8 Ų | 110.8 | 119.1 Ų | 119.1 | 57% | 0.568 | 65% | 0.651 | S | S | * | * | trans | -70.4 | 90.8 | 172.1 | -57.7 | 178.6 | 0 | 0 | 0 | 106.6 | T2689 V2693 | T2689-I2691 PolarHBondContact O-N 3.34Å; I2691-V2693 VanDerWaalsContact C-N 3.25Å; I2691-V2693 HydrophobicContact CG2-CG2 4.23Å; I2691-V2693 PolarHBondContact O-N 3.15Å | ||
| 2692 | T | 22.3 | Very low | 28.3 | Very low | 115.4 Ų | 115.4 | 124.1 Ų | 124.1 | 71% | 0.708 | 67% | 0.666 | S | S | * | * | trans | -64.8 | 96.8 | 162.1 | 47.5 | 0 | 0 | 0 | 0 | 107.5 | L2690 A2694 | L2690-T2692 VanDerWaalsContact C-N 3.3Å; L2690-T2692 HydrophobicContact CB-CG2 4.35Å; L2690-T2692 HydrophobicContact CD2-CG2 3.77Å; L2690-T2692 PolarHBondContact O-N 2.96Å; T2692-A2694 VanDerWaalsContact C-N 3.3Å; T2692-A2694 PolarHBondContact O-N 3.2Å; T2692-A2694 VanDerWaalsContact O-N 3.1Å | ||
| 2693 | V | 23.8 | Very low | 27.6 | Very low | 101.6 Ų | 101.6 | 123.6 Ų | 123.6 | 62% | 0.616 | 67% | 0.668 | S | S | * | * | trans | -44.5 | 112.9 | 161.9 | -178.7 | 0 | 0 | 0 | 0 | 107.6 | I2691 E2695 | I2691-V2693 VanDerWaalsContact C-N 3.25Å; I2691-V2693 HydrophobicContact CG2-CG2 4.23Å; I2691-V2693 PolarHBondContact O-N 3.15Å; V2693-E2695 VanDerWaalsContact C-N 3.35Å; V2693-E2695 HydrophobicContact CB-CB 4.38Å; V2693-E2695 HydrophobicContact CG1-CB 4.1Å; V2693-E2695 HydrophobicContact CG2-CB 4.24Å; V2693-E2695 PolarHBondContact O-N 3.25Å | ||
| 2694 | A | 21.5 | Very low | 26.6 | Very low | 80.4 Ų | 80.4 | 120.3 Ų | 120.3 | 66% | 0.664 | 67% | 0.671 | S | S | * | * | trans | -69.7 | 125.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | T2692 H2696 | T2692-A2694 VanDerWaalsContact C-N 3.3Å; T2692-A2694 PolarHBondContact O-N 3.2Å; T2692-A2694 VanDerWaalsContact O-N 3.1Å; A2694-H2696 VanDerWaalsContact C-N 3.28Å; A2694-H2696 PolarHBondContact O-N 3.22Å | ||
| 2695 | E | 21.9 | Very low | 25.9 | Very low | 163.8 Ų | 163.8 | 121.1 Ų | 121.1 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | trans | -41.6 | 103.1 | 175 | -70.8 | -177.8 | 161.9 | 0 | 0 | 110.6 | V2693 P2697 M2699 | V2693-E2695 VanDerWaalsContact C-N 3.35Å; V2693-E2695 HydrophobicContact CB-CB 4.38Å; V2693-E2695 HydrophobicContact CG1-CB 4.1Å; V2693-E2695 HydrophobicContact CG2-CB 4.24Å; V2693-E2695 PolarHBondContact O-N 3.25Å; E2695-P2697 VanDerWaalsContact O-CD 3.25Å; E2695-P2697 WeakPolarHBondContact O-CD 3.22Å; E2695-P2697 VanDerWaalsContact O-N 3.09Å; E2695-M2699 WeakPolarHBondContact OE1-CG 3.31Å; E2695-M2699 WeakPolarHBondContact OE2-CA 3.37Å; E2695-M2699 VanDerWaalsContact OE2-CB 3.27Å; E2695-M2699 WeakPolarHBondContact OE2-CB 3.49Å; E2695-M2699 WeakPolarHBondContact OE2-CG 3.49Å; E2695-M2699 PolarHBondContact OE2-N 2.51Å | ||
| 2696 | H | 21.4 | Very low | 25.1 | Very low | 171.4 Ų | 171.4 | 122.8 Ų | 122.8 | 79% | 0.794 | 69% | 0.691 | S | S | * | * | trans | -72.4 | 124 | 158 | -85.3 | -53.8 | 0 | 0 | 0 | 107.1 | A2694 V2698 | A2694-H2696 VanDerWaalsContact C-N 3.28Å; A2694-H2696 PolarHBondContact O-N 3.22Å; H2696-V2698 VanDerWaalsContact C-N 3.27Å; H2696-V2698 PolarHBondContact O-N 3.15Å; H2696-V2698 VanDerWaalsContact O-N 3.16Å | ||
| 2697 | P | 21.9 | Very low | 24.5 | Very low | 110.6 Ų | 110.6 | 123.2 Ų | 123.2 | 72% | 0.718 | 70% | 0.7 | S | S | * | * | trans | -72.5 | 116 | -154.6 | 25 | -33.5 | 0 | 0 | 0 | 111 | E2695 M2699 | E2695-P2697 VanDerWaalsContact O-CD 3.25Å; E2695-P2697 WeakPolarHBondContact O-CD 3.22Å; E2695-P2697 VanDerWaalsContact O-N 3.09Å; P2697-M2699 PolarHBondContact O-N 3.25Å; P2697-M2699 VanDerWaalsContact O-N 3.12Å | ||
| 2698 | V | 21 | Very low | 23.9 | Very low | 124.2 Ų | 124.2 | 123.1 Ų | 123.1 | 75% | 0.753 | 71% | 0.712 | S | S | * | * | trans | -75.9 | 93.2 | 166.4 | -177.4 | 0 | 0 | 0 | 0 | 107.6 | H2696 S2700 | H2696-V2698 VanDerWaalsContact C-N 3.27Å; H2696-V2698 PolarHBondContact O-N 3.15Å; H2696-V2698 VanDerWaalsContact O-N 3.16Å; V2698-S2700 PolarHBondContact O-N 3.3Å | ||
| 2699 | M | 21.5 | Very low | 23.4 | Very low | 162.6 Ų | 162.6 | 125.8 Ų | 125.8 | 80% | 0.801 | 73% | 0.729 | S | S | * | * | trans | -62.5 | 91.9 | 162.2 | -84.5 | -82.7 | -103.7 | 0 | 0 | 109.2 | E2695 P2697 E2701 | E2695-M2699 WeakPolarHBondContact OE1-CG 3.31Å; E2695-M2699 WeakPolarHBondContact OE2-CA 3.37Å; E2695-M2699 VanDerWaalsContact OE2-CB 3.27Å; E2695-M2699 WeakPolarHBondContact OE2-CB 3.49Å; E2695-M2699 WeakPolarHBondContact OE2-CG 3.49Å; E2695-M2699 PolarHBondContact OE2-N 2.51Å; P2697-M2699 PolarHBondContact O-N 3.25Å; P2697-M2699 VanDerWaalsContact O-N 3.12Å; M2699-E2701 VanDerWaalsContact C-N 3.32Å; M2699-E2701 PolarHBondContact O-N 3.28Å; M2699-E2701 VanDerWaalsContact O-N 3.14Å | ||
| 2700 | S | 23 | Very low | 23.1 | Very low | 88.6 Ų | 88.6 | 128 Ų | 128 | 62% | 0.62 | 74% | 0.736 | S | S | * | * | trans | -65.2 | 109.7 | 169.3 | 65.4 | 0 | 0 | 0 | 0 | 109.4 | V2698 K2702 | V2698-S2700 PolarHBondContact O-N 3.3Å; S2700-K2702 PolarHBondContact O-N 2.97Å | ||
| 2701 | E | 22.7 | Very low | 22.9 | Very low | 147 Ų | 147 | 128 Ų | 128 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | trans | -91.1 | 130.6 | 159.1 | -69.5 | -163.1 | 129.3 | 0 | 0 | 112.3 | M2699 V2703 G2704 T2705 S2706 | M2699-E2701 VanDerWaalsContact C-N 3.32Å; M2699-E2701 PolarHBondContact O-N 3.28Å; M2699-E2701 VanDerWaalsContact O-N 3.14Å; E2701-V2703 VanDerWaalsContact C-N 3.31Å; E2701-V2703 PolarHBondContact O-N 3.19Å; E2701-G2704 WeakPolarHBondContact OE1-CA 3.49Å; E2701-G2704 PolarHBondContact OE1-N 3.27Å; E2701-T2705 WeakPolarHBondContact CB-O 3.09Å; E2701-T2705 WeakPolarHBondContact OE2-CA 3.35Å; E2701-T2705 PolarHBondContact OE2-N 3.2Å; E2701-T2705 PolarHBondContact OE2-OG1 3.38Å; E2701-S2706 VanDerWaalsContact CG-O 3.24Å; E2701-S2706 WeakPolarHBondContact CG-O 3.15Å; E2701-S2706 VanDerWaalsContact OE2-CB 3.26Å; E2701-S2706 WeakPolarHBondContact OE2-CB 3.22Å; E2701-S2706 PolarHBondContact OE2-N 3.47Å; E2701-S2706 PolarHBondContact OE2-OG 3.26Å | ||
| 2702 | K | 24.5 | Very low | 22.8 | Very low | 189 Ų | 189 | 128.5 Ų | 128.5 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | trans | -59.3 | 108.9 | 147 | -71.4 | 165.3 | 179.9 | 169.2 | 0 | 112.9 | S2700 G2704 | S2700-K2702 PolarHBondContact O-N 2.97Å; K2702-G2704 VanDerWaalsContact C-N 3.29Å; K2702-G2704 PolarHBondContact O-N 3.27Å; K2702-G2704 VanDerWaalsContact O-N 3.12Å | ||
| 2703 | V | 25.2 | Very low | 22.8 | Very low | 146 Ų | 146 | 127.9 Ų | 127.9 | 89% | 0.885 | 75% | 0.745 | S | S | * | * | trans | -58.2 | 105.5 | 142.6 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | E2701 T2705 | E2701-V2703 VanDerWaalsContact C-N 3.31Å; E2701-V2703 PolarHBondContact O-N 3.19Å; V2703-T2705 PolarHBondContact O-N 3.42Å | ||
| 2704 | G | 20.9 | Very low | 22.7 | Very low | 60 Ų | 60 | 128.4 Ų | 128.4 | 62% | 0.619 | 75% | 0.752 | S | S | * | * | trans | -132.3 | 118.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E2701 K2702 | E2701-G2704 WeakPolarHBondContact OE1-CA 3.49Å; E2701-G2704 PolarHBondContact OE1-N 3.27Å; K2702-G2704 VanDerWaalsContact C-N 3.29Å; K2702-G2704 PolarHBondContact O-N 3.27Å; K2702-G2704 VanDerWaalsContact O-N 3.12Å | ||
| 2705 | T | 23 | Very low | 22.7 | Very low | 126.2 Ų | 126.2 | 131 Ų | 131 | 77% | 0.774 | 76% | 0.76 | S | S | * | * | trans | -153.7 | 165.3 | 163.8 | 43.7 | 0 | 0 | 0 | 0 | 114.1 | E2701 V2703 | E2701-T2705 WeakPolarHBondContact CB-O 3.09Å; E2701-T2705 WeakPolarHBondContact OE2-CA 3.35Å; E2701-T2705 PolarHBondContact OE2-N 3.2Å; E2701-T2705 PolarHBondContact OE2-OG1 3.38Å; V2703-T2705 PolarHBondContact O-N 3.42Å | ||
| 2706 | S | 23.2 | Very low | 22.6 | Very low | 96.6 Ų | 96.6 | 128 Ų | 128 | 68% | 0.676 | 76% | 0.757 | S | S | * | * | trans | 67.7 | 129.1 | 158.1 | 40.5 | 0 | 0 | 0 | 0 | 118.9 | E2701 | E2701-S2706 VanDerWaalsContact CG-O 3.24Å; E2701-S2706 WeakPolarHBondContact CG-O 3.15Å; E2701-S2706 VanDerWaalsContact OE2-CB 3.26Å; E2701-S2706 WeakPolarHBondContact OE2-CB 3.22Å; E2701-S2706 PolarHBondContact OE2-N 3.47Å; E2701-S2706 PolarHBondContact OE2-OG 3.26Å | ||
| 2707 | E | 24.4 | Very low | 22.6 | Very low | 195.4 Ų | 195.4 | 124.8 Ų | 124.8 | 91% | 0.913 | 75% | 0.754 | S | S | * | * | trans | 52.5 | 115.7 | 139.1 | -57.5 | 172.7 | 172.2 | 0 | 0 | 116.8 | ||||
| 2708 | G | 25.4 | Very low | 22.6 | Very low | 69.6 Ų | 69.6 | 127.8 Ų | 127.8 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | trans | 143.1 | 93.3 | 154 | 0 | 0 | 0 | 0 | 0 | 115.6 | L2710 | G2708-L2710 PolarHBondContact O-N 2.95Å; G2708-L2710 VanDerWaalsContact O-N 3.11Å | ||
| 2709 | T | 24.2 | Very low | 22.7 | Very low | 131.8 Ų | 131.8 | 130.3 Ų | 130.3 | 81% | 0.809 | 76% | 0.762 | S | S | * | * | trans | -36.7 | 129.1 | 168.7 | 20.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 2710 | L | 22.1 | Very low | 22.8 | Very low | 145.4 Ų | 145.4 | 127.8 Ų | 127.8 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | trans | 178.4 | 118.6 | 138.3 | -89.4 | 165.1 | 0 | 0 | 0 | 114.6 | G2708 V2712 | G2708-L2710 PolarHBondContact O-N 2.95Å; G2708-L2710 VanDerWaalsContact O-N 3.11Å; L2710-V2712 HydrophobicContact CD2-CB 3.92Å; L2710-V2712 HydrophobicContact CD2-CG2 3.95Å; L2710-V2712 PolarHBondContact O-N 3.49Å; L2710-V2712 VanDerWaalsContact O-N 3.1Å | ||
| 2711 | L | 22.4 | Very low | 22.8 | Very low | 151.6 Ų | 151.6 | 132.6 Ų | 132.6 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -65.4 | 114.6 | 137 | -72 | 147.6 | 0 | 0 | 0 | 115.2 | S2713 | L2711-S2713 PolarHBondContact O-N 3.48Š| ||
| 2712 | V | 22.4 | Very low | 22.8 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 74% | 0.739 | 77% | 0.77 | S | S | * | * | 84.3 | 104.1 | 125.5 | 179.8 | 0 | 0 | 0 | 0 | 114.9 | L2710 | L2710-V2712 HydrophobicContact CD2-CB 3.92Å; L2710-V2712 HydrophobicContact CD2-CG2 3.95Å; L2710-V2712 PolarHBondContact O-N 3.49Å; L2710-V2712 VanDerWaalsContact O-N 3.1Å | |||
| 2713 | S | 22.2 | Very low | 22.6 | Very low | 102.4 Ų | 102.4 | 129.8 Ų | 129.8 | 72% | 0.716 | 77% | 0.766 | S | S | * | * | trans | -108 | 136.9 | 146 | 52 | 0 | 0 | 0 | 0 | 113.5 | L2711 V2715 | L2711-S2713 PolarHBondContact O-N 3.48Å; S2713-V2715 PolarHBondContact O-N 3.07Å | ||
| 2714 | S | 21.3 | Very low | 22.6 | Very low | 110.8 Ų | 110.8 | 128.6 Ų | 128.6 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | -136.6 | 118.4 | 100.2 | 50.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 2715 | V | 21.6 | Very low | 22.6 | Very low | 136.2 Ų | 136.2 | 131.8 Ų | 131.8 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -108.2 | 117.8 | 154 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | S2713 | S2713-V2715 PolarHBondContact O-N 3.07Š| ||
| 2716 | S | 21.4 | Very low | 22.5 | Very low | 100.8 Ų | 100.8 | 132.3 Ų | 132.3 | 71% | 0.705 | 77% | 0.769 | S | S | * | * | trans | -156.9 | 139.6 | 133.7 | 51.3 | 0 | 0 | 0 | 0 | 112.2 | Q2718 | S2716-Q2718 PolarHBondContact O-N 3.08Å; S2716-Q2718 VanDerWaalsContact O-N 3.16Å | ||
| 2717 | S | 20.8 | Very low | 22.4 | Very low | 103.4 Ų | 103.4 | 132.1 Ų | 132.1 | 72% | 0.723 | 77% | 0.768 | S | S | * | * | trans | 43.9 | 121.8 | 148.6 | 65.5 | 0 | 0 | 0 | 0 | 114.9 | H2719 | S2717-H2719 PolarHBondContact O-N 2.71Š| ||
| 2718 | Q | 21.9 | Very low | 22.3 | Very low | 175 Ų | 175 | 130.9 Ų | 130.9 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | 171.7 | 118.6 | 156.7 | -78.8 | 170.3 | 7.9 | 0 | 0 | 112.7 | S2716 | S2716-Q2718 PolarHBondContact O-N 3.08Å; S2716-Q2718 VanDerWaalsContact O-N 3.16Å | ||
| 2719 | H | 22.5 | Very low | 22.1 | Very low | 176 Ų | 176 | 133.3 Ų | 133.3 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | trans | -86.8 | 148.6 | 138.8 | -79.3 | -69.9 | 0 | 0 | 0 | 110.6 | S2717 F2721 | S2717-H2719 PolarHBondContact O-N 2.71Å; H2719-F2721 HydrophobicContact CB-CD2 4.36Å | ||
| 2720 | P | 24.6 | Very low | 22 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | trans | -123.2 | 144.8 | 136.6 | 32.4 | -18.9 | 0 | 0 | 0 | 113.3 | L2722 | P2720-L2722 PolarHBondContact O-N 2.9Š| ||
| 2721 | F | 21.7 | Very low | 22 | Very low | 188 Ų | 188 | 134.2 Ų | 134.2 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -36.7 | 124.2 | 145 | -92.2 | -88.1 | 0 | 0 | 0 | 113.5 | H2719 | H2719-F2721 HydrophobicContact CB-CD2 4.36Š| ||
| 2722 | L | 23.3 | Very low | 21.9 | Very low | 141.6 Ų | 141.6 | 131.2 Ų | 131.2 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | -126.4 | 139.4 | 142.7 | -80.8 | 143.7 | 0 | 0 | 0 | 113.3 | P2720 T2724 | P2720-L2722 PolarHBondContact O-N 2.9Å; L2722-T2724 HydrophobicContact CB-CG2 4.47Å; L2722-T2724 HydrophobicContact CD2-CG2 3.81Å; L2722-T2724 PolarHBondContact O-N 3.29Å | ||
| 2723 | N | 21.3 | Very low | 21.9 | Very low | 136.4 Ų | 136.4 | 132.2 Ų | 132.2 | 73% | 0.729 | 77% | 0.765 | S | S | * | * | -160.3 | 135.2 | 95.1 | -100.7 | -18.9 | 0 | 0 | 0 | 112 | |||||
| 2724 | T | 23.7 | Very low | 21.8 | Very low | 119.8 Ų | 119.8 | 134.5 Ų | 134.5 | 74% | 0.735 | 77% | 0.767 | S | S | * | * | -174.9 | 114.2 | 110.7 | 47.4 | 0 | 0 | 0 | 0 | 113.2 | L2722 V2726 | L2722-T2724 HydrophobicContact CB-CG2 4.47Å; L2722-T2724 HydrophobicContact CD2-CG2 3.81Å; L2722-T2724 PolarHBondContact O-N 3.29Å; T2724-V2726 PolarHBondContact O-N 2.74Å | |||
| 2725 | T | 21.4 | Very low | 21.8 | Very low | 128.6 Ų | 128.6 | 136.1 Ų | 136.1 | 79% | 0.789 | 77% | 0.766 | S | S | * | * | trans | -69.8 | 130.4 | 153.7 | 53 | 0 | 0 | 0 | 0 | 110.2 | S2727 | T2725-S2727 PolarHBondContact O-N 2.99Š| ||
| 2726 | V | 21.8 | Very low | 21.8 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | -134 | 138.2 | 84.1 | 175.7 | 0 | 0 | 0 | 0 | 109.9 | T2724 | T2724-V2726 PolarHBondContact O-N 2.74Š| |||
| 2727 | S | 21 | Very low | 22 | Very low | 93.2 Ų | 93.2 | 138.8 Ų | 138.8 | 65% | 0.652 | 77% | 0.767 | S | S | * | * | trans | -143.1 | 126.3 | -159.3 | 140.9 | 0 | 0 | 0 | 0 | 113.2 | T2725 V2729 | T2725-S2727 PolarHBondContact O-N 2.99Å; S2727-V2729 VanDerWaalsContact C-N 3.34Å; S2727-V2729 PolarHBondContact O-N 3.28Å | ||
| 2728 | L | 21.5 | Very low | 22.1 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 90% | 0.895 | 77% | 0.773 | S | S | * | * | trans | -133.6 | 114.5 | 155.1 | -90.2 | 160.1 | 0 | 0 | 0 | 111.8 | ||||
| 2729 | V | 20.7 | Very low | 22.1 | Very low | 120.2 Ų | 120.2 | 135.5 Ų | 135.5 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | trans | -159.9 | 122.4 | 138.3 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | S2727 | S2727-V2729 VanDerWaalsContact C-N 3.34Å; S2727-V2729 PolarHBondContact O-N 3.28Å | ||
| 2730 | S | 23.1 | Very low | 22.1 | Very low | 98.4 Ų | 98.4 | 134.1 Ų | 134.1 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | 167.9 | 122.2 | 55.4 | 57.7 | 0 | 0 | 0 | 0 | 115.4 | A2732 | S2730-A2732 PolarHBondContact O-N 3.04Š| |||
| 2731 | K | 21 | Very low | 22.1 | Very low | 196.4 Ų | 196.4 | 136.3 Ų | 136.3 | 85% | 0.854 | 77% | 0.768 | S | S | * | * | trans | -129.4 | 122.1 | 140.2 | -84.4 | 174.3 | 177.5 | 180 | 0 | 111.4 | N2733 | K2731-N2733 PolarHBondContact O-N 2.98Š| ||
| 2732 | A | 21.6 | Very low | 22.1 | Very low | 89 Ų | 89 | 137.5 Ų | 137.5 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | 5.4 | 123.9 | 128.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S2730 I2734 | S2730-A2732 PolarHBondContact O-N 3.04Å; A2732-I2734 PolarHBondContact O-N 2.99Å | |||
| 2733 | N | 20.5 | Very low | 22.1 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | -37.2 | 116.9 | 159.5 | -79.7 | -8.6 | 0 | 0 | 0 | 114.8 | K2731 | K2731-N2733 PolarHBondContact O-N 2.98Š| ||
| 2734 | I | 21.5 | Very low | 22.4 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -171.6 | 99.9 | 140.7 | -68.3 | 168 | 0 | 0 | 0 | 112.1 | A2732 | A2732-I2734 PolarHBondContact O-N 2.99Š| ||
| 2735 | L | 21.4 | Very low | 22.4 | Very low | 143.4 Ų | 143.4 | 138.4 Ų | 138.4 | 75% | 0.751 | 77% | 0.768 | S | S | * | * | trans | 44.5 | 124.5 | 134.4 | -87.2 | 140.2 | 0 | 0 | 0 | 113.6 | T2737 | L2735-T2737 PolarHBondContact O-N 2.88Š| ||
| 2736 | E | 21.6 | Very low | 22.5 | Very low | 174.2 Ų | 174.2 | 141.1 Ų | 141.1 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | trans | 54 | 125.8 | 144.1 | -62.1 | -177.5 | 148.8 | 0 | 0 | 115.5 | ||||
| 2737 | T | 24.2 | Very low | 22.6 | Very low | 120.6 Ų | 120.6 | 144.3 Ų | 144.3 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | -148.6 | 147.3 | 64.8 | 14.6 | 0 | 0 | 0 | 0 | 111.3 | L2735 G2739 | L2735-T2737 PolarHBondContact O-N 2.88Å; T2737-G2739 PolarHBondContact O-N 3.05Å | |||
| 2738 | T | 24.4 | Very low | 22.7 | Very low | 138.6 Ų | 138.6 | 147.1 Ų | 147.1 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | 19.4 | 125.2 | 163.3 | 56 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 2739 | G | 21.6 | Very low | 22.7 | Very low | 70.8 Ų | 70.8 | 149 Ų | 149 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | trans | 164.8 | 54.5 | 134.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | T2737 H2741 | T2737-G2739 PolarHBondContact O-N 3.05Å; G2739-H2741 VanDerWaalsContact C-N 3.26Å; G2739-H2741 PolarHBondContact O-N 3.06Å | ||
| 2740 | N | 22.7 | Very low | 23.1 | Very low | 146.6 Ų | 146.6 | 149 Ų | 149 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | trans | -9 | 126.4 | 175.8 | -68.1 | -25.1 | 0 | 0 | 0 | 115.1 | ||||
| 2741 | H | 23.6 | Very low | 23.1 | Very low | 156.6 Ų | 156.6 | 151.9 Ų | 151.9 | 73% | 0.725 | 78% | 0.776 | S | S | * | * | -151.6 | 125.4 | 108.9 | -91.6 | -50.4 | 0 | 0 | 0 | 112.9 | G2739 D2743 | G2739-H2741 VanDerWaalsContact C-N 3.26Å; G2739-H2741 PolarHBondContact O-N 3.06Å; H2741-D2743 PolarHBondContact O-N 3.03Å | |||
| 2742 | R | 22.5 | Very low | 23.2 | Very low | 214 Ų | 214 | 147.1 Ų | 147.1 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | trans | -32.8 | 122.3 | 135.2 | -78.3 | 176.4 | -171.3 | -172.8 | 1.2 | 113.6 | ||||
| 2743 | D | 23.1 | Very low | 23.3 | Very low | 141.4 Ų | 141.4 | 148.3 Ų | 148.3 | 76% | 0.756 | 77% | 0.766 | S | S | * | * | -135 | 132.1 | 126 | -117.7 | -8.2 | 0 | 0 | 0 | 114 | H2741 Q2745 | H2741-D2743 PolarHBondContact O-N 3.03Å; D2743-Q2745 VanDerWaalsContact C-N 3.26Å; D2743-Q2745 PolarHBondContact O-N 3.25Å | |||
| 2744 | P | 28 | Very low | 23.4 | Very low | 108.8 Ų | 108.8 | 149.7 Ų | 149.7 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -117.2 | 140.1 | -171 | 37.8 | -25.1 | 0 | 0 | 0 | 113.3 | ||||
| 2745 | Q | 23.6 | Very low | 23.5 | Very low | 164.8 Ų | 164.8 | 149.3 Ų | 149.3 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | -152.5 | 124.9 | 166.1 | -73.3 | 178.9 | 5 | 0 | 0 | 113.3 | D2743 | D2743-Q2745 VanDerWaalsContact C-N 3.26Å; D2743-Q2745 PolarHBondContact O-N 3.25Å | ||
| 2746 | F | 22.6 | Very low | 23.6 | Very low | 186.4 Ų | 186.4 | 149 Ų | 149 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -167.4 | 107.8 | 152.9 | -111.2 | -98.1 | 0 | 0 | 0 | 112.1 | ||||
| 2747 | Y | 24.2 | Very low | 23.6 | Very low | 202 Ų | 202 | 147.1 Ų | 147.1 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | trans | 26.2 | 153.2 | 140.9 | -84.8 | -106.4 | 0 | 0 | 0 | 115.7 | ||||
| 2748 | E | 23 | Very low | 23.6 | Very low | 152.6 Ų | 152.6 | 147.1 Ų | 147.1 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | 60.2 | 135.1 | 164.1 | -68.2 | -171.8 | 161.3 | 0 | 0 | 114.3 | ||||
| 2749 | R | 22.5 | Very low | 23.6 | Very low | 211.2 Ų | 211.2 | 148.4 Ų | 148.4 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | -157.2 | 144.8 | 56.8 | -106.2 | -178.9 | 174.1 | 146.3 | 1.1 | 112.1 | L2751 | R2749-L2751 PolarHBondContact O-N 3.01Š| |||
| 2750 | P | 27.7 | Very low | 23.8 | Very low | 118.6 Ų | 118.6 | 151.9 Ų | 151.9 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | -90.3 | 159.6 | 167.2 | 35.1 | -30.6 | 0 | 0 | 0 | 111.7 | S2752 | P2750-S2752 VanDerWaalsContact C-N 3.29Å; P2750-S2752 PolarHBondContact O-N 3.12Å | ||
| 2751 | L | 22.9 | Very low | 23.9 | Very low | 159.6 Ų | 159.6 | 153.3 Ų | 153.3 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | trans | -99.7 | 129 | 173.5 | -84.9 | 148.2 | 0 | 0 | 0 | 112.3 | R2749 | R2749-L2751 PolarHBondContact O-N 3.01Š| ||
| 2752 | S | 24.2 | Very low | 24 | Very low | 96.2 Ų | 96.2 | 153.2 Ų | 153.2 | 67% | 0.673 | 76% | 0.759 | S | S | * | * | trans | -131.5 | 143 | 153.2 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | P2750 | P2750-S2752 VanDerWaalsContact C-N 3.29Å; P2750-S2752 PolarHBondContact O-N 3.12Å | ||
| 2753 | T | 23.6 | Very low | 24.2 | Very low | 114.8 Ų | 114.8 | 150.5 Ų | 150.5 | 70% | 0.704 | 76% | 0.756 | S | S | * | * | trans | 161.3 | 136 | 138.4 | 36 | 0 | 0 | 0 | 0 | 112.3 | L2755 | T2753-L2755 PolarHBondContact O-N 2.69Š| ||
| 2754 | E | 23 | Very low | 24.5 | Very low | 173 Ų | 173 | 152 Ų | 152 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | 177.2 | 149.2 | 62.5 | -84.9 | 168.8 | -172.5 | 0 | 0 | 112.9 | |||||
| 2755 | L | 22.9 | Very low | 24.6 | Very low | 141.4 Ų | 141.4 | 152.8 Ų | 152.8 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | cis | -133.6 | 143.3 | -14.9 | -97.8 | 158.1 | 0 | 0 | 0 | 109.4 | T2753 I2757 | T2753-L2755 PolarHBondContact O-N 2.69Å; L2755-I2757 HydrophobicContact CD2-CD1 3.89Å; L2755-I2757 HydrophobicContact CD2-CG1 4.19Å | ||
| 2756 | N | 22.8 | Very low | 24.9 | Very low | 137.8 Ų | 137.8 | 150.8 Ų | 150.8 | 74% | 0.737 | 74% | 0.739 | S | S | * | * | trans | 90.5 | 132.6 | 148.6 | -108.5 | -12.6 | 0 | 0 | 0 | 113.3 | T2758 | N2756-T2758 PolarHBondContact O-N 3.27Š| ||
| 2757 | I | 23.4 | Very low | 25.4 | Very low | 132.4 Ų | 132.4 | 146.3 Ų | 146.3 | 68% | 0.679 | 72% | 0.723 | S | S | * | * | trans | 115.5 | 122 | 151.9 | -64.7 | 164.2 | 0 | 0 | 0 | 111.5 | L2755 E2759 | L2755-I2757 HydrophobicContact CD2-CD1 3.89Å; L2755-I2757 HydrophobicContact CD2-CG1 4.19Å; I2757-E2759 HydrophobicContact CG2-CG 4.11Å; I2757-E2759 PolarHBondContact O-N 2.65Å | ||
| 2758 | T | 23.7 | Very low | 25.8 | Very low | 121.2 Ų | 121.2 | 140.9 Ų | 140.9 | 74% | 0.744 | 71% | 0.711 | S | S | * | * | -149.5 | 145.3 | 115 | 26.3 | 0 | 0 | 0 | 0 | 110.9 | N2756 N2760 | N2756-T2758 PolarHBondContact O-N 3.27Å; T2758-N2760 PolarHBondContact O-N 3.13Å; T2758-N2760 VanDerWaalsContact O-N 3.13Å | |||
| 2759 | E | 24.4 | Very low | 26.2 | Very low | 166.6 Ų | 166.6 | 138.1 Ų | 138.1 | 78% | 0.779 | 70% | 0.7 | S | S | * | * | trans | -80.7 | 146.1 | 178 | -65.8 | 151.2 | 153.1 | 0 | 0 | 111.3 | I2757 | I2757-E2759 HydrophobicContact CG2-CG 4.11Å; I2757-E2759 PolarHBondContact O-N 2.65Å | ||
| 2760 | N | 24.4 | Very low | 26.7 | Very low | 144.8 Ų | 144.8 | 135.2 Ų | 135.2 | 77% | 0.774 | 69% | 0.693 | S | S | * | * | trans | -176.3 | 134.5 | 168.6 | -78.1 | -23.5 | 0 | 0 | 0 | 111.2 | T2758 E2762 | T2758-N2760 PolarHBondContact O-N 3.13Å; T2758-N2760 VanDerWaalsContact O-N 3.13Å; N2760-E2762 PolarHBondContact O-N 3.46Å | ||
| 2761 | E | 25.3 | Very low | 26.9 | Very low | 174.4 Ų | 174.4 | 136.2 Ų | 136.2 | 82% | 0.815 | 69% | 0.685 | S | S | * | * | trans | -91 | 128 | 147.9 | -71.2 | 171.5 | 140.2 | 0 | 0 | 114.4 | E2763 | E2761-E2763 PolarHBondContact O-N 3.15Å; E2761-E2763 VanDerWaalsContact O-N 3.11Å | ||
| 2762 | E | 26.7 | Very low | 27.3 | Very low | 155.2 Ų | 155.2 | 133 Ų | 133 | 73% | 0.725 | 67% | 0.672 | S | S | * | * | trans | -107 | 111.4 | -177 | -86.1 | 178.9 | 166 | 0 | 0 | 111.8 | Y2479 N2760 W2764 K2800 | Y2479-E2762 HydrophobicContact CE1-CG 4.13Å; Y2479-E2762 HydrophobicContact CE2-CG 4.18Å; N2760-E2762 PolarHBondContact O-N 3.46Å; E2762-W2764 PolarHBondContact O-N 2.81Å; E2762-K2800 IonicContact OE1-NZ 2.69Å; E2762-K2800 PolarHBondContact OE1-NZ 3.26Å; E2762-K2800 IonicContact OE2-NZ 2.66Å; E2762-K2800 PolarHBondContact OE2-NZ 3.1Å | ||
| 2763 | E | 25.9 | Very low | 27.6 | Very low | 158 Ų | 158 | 132.3 Ų | 132.3 | 74% | 0.738 | 66% | 0.664 | S | S | * | * | trans | -95.6 | 122.4 | 179.6 | -69.2 | 175.7 | 152.4 | 0 | 0 | 113.3 | K2368 Y2479 E2761 | K2368-E2763 VanDerWaalsContact CE-OE2 3.3Å; K2368-E2763 WeakPolarHBondContact CE-OE2 2.89Å; K2368-E2763 IonicContact NZ-OE1 3.27Å; K2368-E2763 PolarHBondContact NZ-OE1 2.64Å; K2368-E2763 IonicContact NZ-OE2 2.74Å; K2368-E2763 PolarHBondContact NZ-OE2 3.3Å; Y2479-E2763 WeakPolarHBondContact CD1-O 3.32Å; E2761-E2763 PolarHBondContact O-N 3.15Å; E2761-E2763 VanDerWaalsContact O-N 3.11Å | ||
| 2764 | W | 29.2 | Very low | 27.9 | Very low | 171.8 Ų | 171.8 | 132.8 Ų | 132.8 | 65% | 0.651 | 66% | 0.662 | S | S | * | * | trans | -125.2 | 137.7 | 161.9 | -73.7 | 59.2 | 0 | 0 | 0 | 111.5 | N2483 E2762 T2768 | N2483-W2764 HydrophobicContact CB-CB 4.09Å; N2483-W2764 VanDerWaalsContact ND2-CD1 3.3Å; E2762-W2764 PolarHBondContact O-N 2.81Å; W2764-T2768 PolarHBondContact O-OG1 3.43Å | ||
| 2765 | E | 29.8 | Very low | 28.3 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 59% | 0.589 | 66% | 0.658 | S | S | * | * | trans | -118.2 | 147.5 | 167.6 | -116.1 | -174.5 | 154.4 | 0 | 0 | 112.6 | L2767 T2768 K2771 | E2765-L2767 HydrophobicContact CB-CB 3.67Å; E2765-L2767 HydrophobicContact CG-CB 3.66Å; E2765-L2767 HydrophobicContact CG-CD1 4.33Å; E2765-L2767 HydrophobicContact CG-CG 4.5Å; E2765-L2767 PolarHBondContact O-N 3.18Å; E2765-L2767 VanDerWaalsContact O-N 3.17Å; E2765-L2767 WeakPolarHBondContact OE1-CD2 3.39Å; E2765-L2767 WeakPolarHBondContact OE2-CB 3.35Å; E2765-T2768 WeakPolarHBondContact O-CB 3.45Å; E2765-T2768 PolarHBondContact O-N 2.76Å; E2765-K2771 WeakPolarHBondContact OE2-CE 3.44Å; E2765-K2771 IonicContact OE2-NZ 2.62Å; E2765-K2771 PolarHBondContact OE2-NZ 2.88Å | ||
| 2766 | I | 31.2 | Very low | 28.6 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 63% | 0.631 | 65% | 0.65 | S | S | * | * | trans | -34.8 | 94.1 | 159.2 | -63.3 | 168.5 | 0 | 0 | 0 | 114.5 | T2768 | I2766-T2768 VanDerWaalsContact C-N 3.3Å; I2766-T2768 HydrophobicContact CG2-CG2 4.02Å; I2766-T2768 PolarHBondContact O-N 3.33Å | ||
| 2767 | L | 32.2 | Very low | 28.8 | Very low | 91.4 Ų | 91.4 | 128.8 Ų | 128.8 | 48% | 0.479 | 65% | 0.645 | S | S | . | * | trans | -123 | 20.6 | -174.5 | -112.5 | 158 | 0 | 0 | 0 | 113.3 | N2487 D2491 E2765 I2769 K2770 K2771 | N2487-L2767 HydrophobicContact CB-CB 4.09Å; N2487-L2767 HydrophobicContact CB-CG 4.11Å; N2487-L2767 WeakPolarHBondContact ND2-CB 3.23Å; N2487-L2767 VanDerWaalsContact ND2-CD1 3.3Å; N2487-L2767 WeakPolarHBondContact ND2-CD1 3.25Å; N2487-L2767 WeakPolarHBondContact ND2-CG 3.29Å; D2491-L2767 WeakPolarHBondContact OD1-CD2 3.35Å; E2765-L2767 HydrophobicContact CB-CB 3.67Å; E2765-L2767 HydrophobicContact CG-CB 3.66Å; E2765-L2767 HydrophobicContact CG-CD1 4.33Å; E2765-L2767 HydrophobicContact CG-CG 4.5Å; E2765-L2767 PolarHBondContact O-N 3.18Å; E2765-L2767 VanDerWaalsContact O-N 3.17Å; E2765-L2767 WeakPolarHBondContact OE1-CD2 3.39Å; E2765-L2767 WeakPolarHBondContact OE2-CB 3.35Å; L2767-I2769 VanDerWaalsContact C-N 3.29Å; L2767-I2769 PolarHBondContact O-N 3.08Å; L2767-K2770 HydrophobicContact CD1-CD 4.28Å; L2767-K2770 HydrophobicContact CD2-CB 4.49Å; L2767-K2770 HydrophobicContact CG-CB 4.01Å; L2767-K2770 HydrophobicContact CG-CD 4.07Å; L2767-K2770 CarbonylContact O-C 3.58Å; L2767-K2770 PolarHBondContact O-N 3.41Å; L2767-K2771 HydrophobicContact CD2-CG 4.5Å; L2767-K2771 WeakPolarHBondContact O-CB 3.27Å; L2767-K2771 WeakPolarHBondContact O-CG 3.31Å; L2767-K2771 PolarHBondContact O-N 3.37Å | ||
| 2768 | T | 32.7 | Very low | 29 | Very low | 89.6 Ų | 89.6 | 127.2 Ų | 127.2 | 55% | 0.55 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -102 | 88.7 | 166.5 | -25 | 0 | 0 | 0 | 0 | 114 | D2491 W2764 E2765 I2766 K2770 K2771 V2772 | D2491-T2768 WeakPolarHBondContact OD1-CA 3.15Å; D2491-T2768 PolarHBondContact OD1-N 3.28Å; D2491-T2768 VanDerWaalsContact OD1-N 3.13Å; D2491-T2768 PolarHBondContact OD2-N 3.25Å; W2764-T2768 PolarHBondContact O-OG1 3.43Å; E2765-T2768 WeakPolarHBondContact O-CB 3.45Å; E2765-T2768 PolarHBondContact O-N 2.76Å; I2766-T2768 VanDerWaalsContact C-N 3.3Å; I2766-T2768 HydrophobicContact CG2-CG2 4.02Å; I2766-T2768 PolarHBondContact O-N 3.33Å; T2768-K2770 VanDerWaalsContact C-N 3.33Å; T2768-K2770 PolarHBondContact O-N 3.19Å; T2768-K2771 PolarHBondContact O-N 3.13Å; T2768-V2772 WeakPolarHBondContact O-CG2 3.25Å; T2768-V2772 PolarHBondContact O-N 2.93Å; T2768-V2772 VanDerWaalsContact O-N 3.08Å |
| 2769 | I | 31.9 | Very low | 29.3 | Very low | 93 Ų | 93 | 125.1 Ų | 125.1 | 48% | 0.477 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -69.7 | 122.7 | 162.5 | -57 | 172.1 | 0 | 0 | 0 | 112.1 | D2491 R2494 L2767 V2772 T2773 | D2491-I2769 VanDerWaalsContact CG-N 3.34Å; D2491-I2769 WeakPolarHBondContact OD1-CG1 3.38Å; D2491-I2769 PolarHBondContact OD1-N 2.77Å; R2494-I2769 HydrophobicContact CB-CD1 4.35Å; R2494-I2769 HydrophobicContact CB-CG1 4.07Å; R2494-I2769 HydrophobicContact CB-CG2 3.8Å; R2494-I2769 VanDerWaalsContact CD-CD1 3.42Å; L2767-I2769 VanDerWaalsContact C-N 3.29Å; L2767-I2769 PolarHBondContact O-N 3.08Å; I2769-V2772 PolarHBondContact O-N 3.27Å; I2769-T2773 PolarHBondContact O-N 3.36Å; I2769-T2773 PolarHBondContact O-OG1 2.72Å; I2769-T2773 VanDerWaalsContact O-OG1 3.06Å |
| 2770 | K | 32.5 | Very low | 29.4 | Very low | 151.4 Ų | 151.4 | 125.3 Ų | 125.3 | 66% | 0.658 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -97.3 | 146.1 | 171.7 | -85.1 | 172.3 | 177.4 | 167.9 | 0 | 115.1 | L2767 T2768 V2772 T2773 D2774 | L2767-K2770 HydrophobicContact CD1-CD 4.28Å; L2767-K2770 HydrophobicContact CD2-CB 4.49Å; L2767-K2770 HydrophobicContact CG-CB 4.01Å; L2767-K2770 HydrophobicContact CG-CD 4.07Å; L2767-K2770 CarbonylContact O-C 3.58Å; L2767-K2770 PolarHBondContact O-N 3.41Å; T2768-K2770 VanDerWaalsContact C-N 3.33Å; T2768-K2770 PolarHBondContact O-N 3.19Å; K2770-V2772 VanDerWaalsContact C-N 3.34Å; K2770-V2772 PolarHBondContact O-N 3.28Å; K2770-T2773 WeakPolarHBondContact CA-OG1 3.33Å; K2770-T2773 PolarHBondContact O-N 3.12Å; K2770-T2773 PolarHBondContact O-OG1 3.2Å; K2770-D2774 WeakPolarHBondContact O-CB 3.3Å; K2770-D2774 PolarHBondContact O-N 2.89Å |
| 2771 | K | 31.7 | Very low | 29.5 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 60% | 0.604 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -50.5 | 124.3 | 164.1 | -91.1 | 173.9 | 177.4 | 172.7 | 0 | 113.5 | E2765 L2767 T2768 T2773 I2775 | E2765-K2771 WeakPolarHBondContact OE2-CE 3.44Å; E2765-K2771 IonicContact OE2-NZ 2.62Å; E2765-K2771 PolarHBondContact OE2-NZ 2.88Å; L2767-K2771 HydrophobicContact CD2-CG 4.5Å; L2767-K2771 WeakPolarHBondContact O-CB 3.27Å; L2767-K2771 WeakPolarHBondContact O-CG 3.31Å; L2767-K2771 PolarHBondContact O-N 3.37Å; T2768-K2771 PolarHBondContact O-N 3.13Å; K2771-T2773 HydrophobicContact CB-CG2 4.39Å; K2771-T2773 PolarHBondContact O-N 3.19Å; K2771-T2773 VanDerWaalsContact O-N 3.12Å; K2771-I2775 WeakPolarHBondContact O-CB 3.26Å; K2771-I2775 WeakPolarHBondContact O-CD1 3.19Å; K2771-I2775 WeakPolarHBondContact O-CG1 3.35Å; K2771-I2775 PolarHBondContact O-N 3.21Å |
| 2772 | V | 30.9 | Very low | 29.5 | Very low | 92.2 Ų | 92.2 | 123.3 Ų | 123.3 | 56% | 0.559 | 63% | 0.629 | S | S | * | * | trans | -92.3 | 78.5 | 176.5 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | T2768 I2769 K2770 N2776 | T2768-V2772 WeakPolarHBondContact O-CG2 3.25Å; T2768-V2772 PolarHBondContact O-N 2.93Å; T2768-V2772 VanDerWaalsContact O-N 3.08Å; I2769-V2772 PolarHBondContact O-N 3.27Å; K2770-V2772 VanDerWaalsContact C-N 3.34Å; K2770-V2772 PolarHBondContact O-N 3.28Å; V2772-N2776 PolarHBondContact O-ND2 3.02Å | ||
| 2773 | T | 31 | Very low | 29.3 | Very low | 82.2 Ų | 82.2 | 124.1 Ų | 124.1 | 50% | 0.504 | 63% | 0.632 | S | S | . | * | trans | -81.9 | 103.5 | 172 | 48.6 | 0 | 0 | 0 | 0 | 114.2 | I2769 K2770 K2771 I2775 N2776 D2777 K2825 | I2769-T2773 PolarHBondContact O-N 3.36Å; I2769-T2773 PolarHBondContact O-OG1 2.72Å; I2769-T2773 VanDerWaalsContact O-OG1 3.06Å; K2770-T2773 WeakPolarHBondContact CA-OG1 3.33Å; K2770-T2773 PolarHBondContact O-N 3.12Å; K2770-T2773 PolarHBondContact O-OG1 3.2Å; K2771-T2773 HydrophobicContact CB-CG2 4.39Å; K2771-T2773 PolarHBondContact O-N 3.19Å; K2771-T2773 VanDerWaalsContact O-N 3.12Å; T2773-I2775 VanDerWaalsContact C-N 3.31Å; T2773-I2775 PolarHBondContact O-N 3.32Å; T2773-N2776 PolarHBondContact O-N 3.1Å; T2773-N2776 VanDerWaalsContact O-N 3.1Å; T2773-D2777 PolarHBondContact O-N 3.12Å; T2773-D2777 VanDerWaalsContact O-N 3.17Å; T2773-K2825 HydrophobicContact CG2-CD 4.33Å | ||
| 2774 | D | 29.7 | Very low | 29.3 | Very low | 123.4 Ų | 123.4 | 122.5 Ų | 122.5 | 66% | 0.66 | 63% | 0.634 | S | S | * | * | trans | 17.5 | 68.2 | 166.4 | -67.4 | -24.7 | 0 | 0 | 0 | 114.9 | K2770 N2776 | K2770-D2774 WeakPolarHBondContact O-CB 3.3Å; K2770-D2774 PolarHBondContact O-N 2.89Å; D2774-N2776 VanDerWaalsContact C-N 3.31Å; D2774-N2776 PolarHBondContact O-N 2.96Å | ||
| 2775 | I | 31.5 | Very low | 29.1 | Very low | 139.8 Ų | 139.8 | 119.1 Ų | 119.1 | 72% | 0.717 | 64% | 0.636 | S | S | * | * | trans | -86.2 | 19.1 | 156 | -63.8 | 173.9 | 0 | 0 | 0 | 111.8 | K2771 T2773 S2778 | K2771-I2775 WeakPolarHBondContact O-CB 3.26Å; K2771-I2775 WeakPolarHBondContact O-CD1 3.19Å; K2771-I2775 WeakPolarHBondContact O-CG1 3.35Å; K2771-I2775 PolarHBondContact O-N 3.21Å; T2773-I2775 VanDerWaalsContact C-N 3.31Å; T2773-I2775 PolarHBondContact O-N 3.32Å; I2775-S2778 PolarHBondContact O-OG 3.05Å | ||
| 2776 | N | 28.9 | Very low | 28.9 | Very low | 109.8 Ų | 109.8 | 120 Ų | 120 | 59% | 0.587 | 65% | 0.645 | S | S | * | * | trans | -85.3 | 10.9 | 179.5 | -72 | -35.4 | 0 | 0 | 0 | 113.7 | V2772 T2773 D2774 S2778 S2779 | V2772-N2776 PolarHBondContact O-ND2 3.02Å; T2773-N2776 PolarHBondContact O-N 3.1Å; T2773-N2776 VanDerWaalsContact O-N 3.1Å; D2774-N2776 VanDerWaalsContact C-N 3.31Å; D2774-N2776 PolarHBondContact O-N 2.96Å; N2776-S2778 PolarHBondContact O-N 3.26Å; N2776-S2779 PolarHBondContact O-N 3.35Å; N2776-S2779 PolarHBondContact O-OG 2.96Å; N2776-S2779 VanDerWaalsContact O-OG 3.06Å | ||
| 2777 | D | 28.6 | Very low | 28.6 | Very low | 119 Ų | 119 | 121.1 Ų | 121.1 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | trans | -102.5 | 62.7 | 164.8 | -131.2 | -22 | 0 | 0 | 0 | 112.8 | T2773 S2779 K2781 K2825 | T2773-D2777 PolarHBondContact O-N 3.12Å; T2773-D2777 VanDerWaalsContact O-N 3.17Å; D2777-S2779 PolarHBondContact O-N 3.09Å; D2777-K2781 WeakPolarHBondContact OD1-CE 3.44Å; D2777-K2781 IonicContact OD1-NZ 2.7Å; D2777-K2781 PolarHBondContact OD1-NZ 3.35Å; D2777-K2781 IonicContact OD2-NZ 2.71Å; D2777-K2825 IonicContact OD2-NZ 3.28Å | ||
| 2778 | S | 27.4 | Very low | 28.4 | Very low | 100.4 Ų | 100.4 | 123.7 Ų | 123.7 | 70% | 0.702 | 67% | 0.665 | S | S | * | * | trans | -68.9 | 40.6 | 171.9 | 66.5 | 0 | 0 | 0 | 0 | 115.6 | I2775 N2776 | I2775-S2778 PolarHBondContact O-OG 3.05Å; N2776-S2778 PolarHBondContact O-N 3.26Å | ||
| 2779 | S | 29.6 | Very low | 28.2 | Very low | 76.8 Ų | 76.8 | 128.2 Ų | 128.2 | 54% | 0.537 | 68% | 0.679 | S | S | . | * | trans | -121.7 | 28.8 | 179.3 | 64.3 | 0 | 0 | 0 | 0 | 114.2 | N2776 D2777 K2781 S2782 | N2776-S2779 PolarHBondContact O-N 3.35Å; N2776-S2779 PolarHBondContact O-OG 2.96Å; N2776-S2779 VanDerWaalsContact O-OG 3.06Å; D2777-S2779 PolarHBondContact O-N 3.09Å; S2779-K2781 VanDerWaalsContact C-N 3.34Å; S2779-K2781 PolarHBondContact O-N 3.48Å; S2779-S2782 PolarHBondContact O-OG 3.49Å | ||
| 2780 | F | 26.7 | Very low | 27.9 | Very low | 169.4 Ų | 169.4 | 130.3 Ų | 130.3 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | trans | -113.4 | 49.8 | 163 | -95.3 | -80.5 | 0 | 0 | 0 | 114 | K2832 | F2780-K2832 HydrophobicContact CD1-CD 4.33Å; F2780-K2832 HydrophobicContact CE1-CB 4.37Å; F2780-K2832 HydrophobicContact CE1-CD 4.02Å; F2780-K2832 HydrophobicContact CZ-CB 4.41Å | ||
| 2781 | K | 25.4 | Very low | 27.8 | Very low | 183.2 Ų | 183.2 | 126.9 Ų | 126.9 | 80% | 0.797 | 69% | 0.688 | S | S | * | * | trans | -104.3 | 76.2 | 167.3 | -83.1 | 171.1 | 178.5 | 164.9 | 0 | 111.1 | D2777 S2779 Q2783 | D2777-K2781 WeakPolarHBondContact OD1-CE 3.44Å; D2777-K2781 IonicContact OD1-NZ 2.7Å; D2777-K2781 PolarHBondContact OD1-NZ 3.35Å; D2777-K2781 IonicContact OD2-NZ 2.71Å; S2779-K2781 VanDerWaalsContact C-N 3.34Å; S2779-K2781 PolarHBondContact O-N 3.48Å; K2781-Q2783 PolarHBondContact O-N 3.41Å | ||
| 2782 | S | 25.3 | Very low | 27.6 | Very low | 93.8 Ų | 93.8 | 129.7 Ų | 129.7 | 66% | 0.656 | 70% | 0.7 | S | S | * | * | trans | -128.5 | 81.4 | 162.8 | 63.8 | 0 | 0 | 0 | 0 | 113.5 | S2779 T2784 | S2779-S2782 PolarHBondContact O-OG 3.49Å; S2782-T2784 PolarHBondContact O-N 2.88Å | ||
| 2783 | Q | 24.1 | Very low | 27.8 | Very low | 172.8 Ų | 172.8 | 129 Ų | 129 | 81% | 0.807 | 70% | 0.698 | S | S | * | * | trans | -116.9 | 94.7 | 166.8 | -90.6 | 173.6 | -16.7 | 0 | 0 | 110.6 | K2781 S2785 | K2781-Q2783 PolarHBondContact O-N 3.41Å; Q2783-S2785 PolarHBondContact O-N 2.83Å | ||
| 2784 | T | 24.6 | Very low | 28 | Very low | 125.2 Ų | 125.2 | 130.4 Ų | 130.4 | 77% | 0.768 | 70% | 0.7 | S | S | * | * | trans | -42 | 132.4 | 142.3 | 55.2 | 0 | 0 | 0 | 0 | 113 | S2782 | S2782-T2784 PolarHBondContact O-N 2.88Š| ||
| 2785 | S | 25.7 | Very low | 28.3 | Very low | 98.8 Ų | 98.8 | 129.2 Ų | 129.2 | 69% | 0.691 | 69% | 0.692 | S | S | * | * | trans | 74 | 110 | 170.1 | 53.8 | 0 | 0 | 0 | 0 | 117.1 | Q2783 | Q2783-S2785 PolarHBondContact O-N 2.83Š| ||
| 2786 | D | 25.1 | Very low | 28.4 | Very low | 145.2 Ų | 145.2 | 125.7 Ų | 125.7 | 78% | 0.776 | 68% | 0.68 | S | S | * | * | trans | 53.8 | 127.4 | 142 | -51.4 | -27.4 | 0 | 0 | 0 | 119.8 | ||||
| 2787 | N | 25.5 | Very low | 29 | Very low | 146.6 Ų | 146.6 | 126.9 Ų | 126.9 | 78% | 0.784 | 68% | 0.68 | S | S | * | * | trans | 115.3 | 92.6 | 154.8 | -67 | -51 | 0 | 0 | 0 | 114.8 | E2789 N2790 | N2787-E2789 PolarHBondContact O-N 3.27Å; N2787-E2789 VanDerWaalsContact O-N 3.16Å; N2787-N2790 PolarHBondContact O-N 2.82Å | ||
| 2788 | I | 28.1 | Very low | 29.6 | Very low | 146 Ų | 146 | 124.1 Ų | 124.1 | 75% | 0.749 | 67% | 0.665 | S | S | * | * | trans | -83.2 | 50 | 162.9 | -62.2 | 172.6 | 0 | 0 | 0 | 112.4 | N2790 S2791 | I2788-N2790 PolarHBondContact O-N 2.78Å; I2788-N2790 PolarHBondContact O-ND2 3.31Å; I2788-S2791 PolarHBondContact O-OG 2.85Å | ||
| 2789 | E | 27.2 | Very low | 30.2 | Very low | 183.2 Ų | 183.2 | 123.7 Ų | 123.7 | 86% | 0.856 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -95.9 | -14.8 | 176.5 | -86 | -175.9 | 155.8 | 0 | 0 | 115.2 | N2787 S2791 | N2787-E2789 PolarHBondContact O-N 3.27Å; N2787-E2789 VanDerWaalsContact O-N 3.16Å; E2789-S2791 PolarHBondContact O-N 3.46Å |
| 2790 | N | 27.4 | Very low | 30.8 | Very low | 138.2 Ų | 138.2 | 127.1 Ų | 127.1 | 74% | 0.739 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -107.4 | 20.9 | -174.3 | -81.2 | -53.9 | 0 | 0 | 0 | 114.5 | N2787 I2788 K2792 S2793 | N2787-N2790 PolarHBondContact O-N 2.82Å; I2788-N2790 PolarHBondContact O-N 2.78Å; I2788-N2790 PolarHBondContact O-ND2 3.31Å; N2790-K2792 VanDerWaalsContact C-N 3.32Å; N2790-K2792 PolarHBondContact O-N 3.19Å; N2790-S2793 PolarHBondContact O-N 2.78Å; N2790-S2793 PolarHBondContact O-OG 3.12Å; N2790-S2793 VanDerWaalsContact O-OG 3.07Å |
| 2791 | S | 28.4 | Very low | 31.7 | Very low | 80.8 Ų | 80.8 | 121.6 Ų | 121.6 | 57% | 0.565 | 64% | 0.64 | S | S | * | * | trans | -100.2 | 53.3 | 176.2 | 63.1 | 0 | 0 | 0 | 0 | 112.9 | I2788 E2789 S2793 I2795 | I2788-S2791 PolarHBondContact O-OG 2.85Å; E2789-S2791 PolarHBondContact O-N 3.46Å; S2791-S2793 VanDerWaalsContact C-N 3.34Å; S2791-S2793 PolarHBondContact O-N 3.22Å; S2791-I2795 VanDerWaalsContact O-CD1 3.24Å; S2791-I2795 WeakPolarHBondContact O-CD1 3.26Å; S2791-I2795 WeakPolarHBondContact O-CG1 3.27Å; S2791-I2795 PolarHBondContact O-N 3.08Å | ||
| 2792 | K | 28.9 | Very low | 32.7 | Very low | 197.2 Ų | 197.2 | 114.9 Ų | 114.9 | 86% | 0.857 | 62% | 0.618 | S | S | * | * | trans | -71.7 | 46.1 | 170.4 | -74.4 | -178.3 | 177.8 | 176.8 | 0 | 110.8 | N2790 E2794 | N2790-K2792 VanDerWaalsContact C-N 3.32Å; N2790-K2792 PolarHBondContact O-N 3.19Å; K2792-E2794 VanDerWaalsContact C-N 3.31Å; K2792-E2794 PolarHBondContact O-N 3.06Å | ||
| 2793 | S | 34 | Very low | 33.7 | Very low | 76.6 Ų | 76.6 | 113.4 Ų | 113.4 | 54% | 0.536 | 61% | 0.605 | S | S | . | * | trans | -71.7 | 87.1 | 172.3 | 61.1 | 0 | 0 | 0 | 0 | 110.4 | N2790 S2791 I2795 S2796 K2797 | N2790-S2793 PolarHBondContact O-N 2.78Å; N2790-S2793 PolarHBondContact O-OG 3.12Å; N2790-S2793 VanDerWaalsContact O-OG 3.07Å; S2791-S2793 VanDerWaalsContact C-N 3.34Å; S2791-S2793 PolarHBondContact O-N 3.22Å; S2793-I2795 PolarHBondContact O-N 2.99Å; S2793-S2796 PolarHBondContact O-N 3.29Å; S2793-S2796 PolarHBondContact O-OG 3.26Å; S2793-K2797 PolarHBondContact O-N 3.48Å; S2793-K2797 VanDerWaalsContact O-N 3.17Å | ||
| 2794 | E | 35.8 | Very low | 34.9 | Very low | 113 Ų | 113 | 109.4 Ų | 109.4 | 53% | 0.528 | 59% | 0.588 | S | S | . | * | trans | -67.5 | 92.2 | -177.8 | -71.1 | 174.3 | 121.1 | 0 | 0 | 111.4 | K2792 S2796 K2797 N2798 | K2792-E2794 VanDerWaalsContact C-N 3.31Å; K2792-E2794 PolarHBondContact O-N 3.06Å; E2794-S2796 VanDerWaalsContact C-N 3.34Å; E2794-S2796 WeakPolarHBondContact CB-OG 3.35Å; E2794-S2796 PolarHBondContact O-N 3.13Å; E2794-S2796 VanDerWaalsContact O-N 3.08Å; E2794-K2797 HydrophobicContact CB-CD 4.42Å; E2794-K2797 HydrophobicContact CB-CG 4.41Å; E2794-K2797 WeakPolarHBondContact O-CB 3.43Å; E2794-K2797 PolarHBondContact O-N 3Å; E2794-K2797 WeakPolarHBondContact OE2-CE 3.38Å; E2794-K2797 IonicContact OE2-NZ 3.07Å; E2794-K2797 PolarHBondContact OE2-NZ 3.39Å; E2794-N2798 VanDerWaalsContact O-CB 3.22Å; E2794-N2798 WeakPolarHBondContact O-CB 3.4Å; E2794-N2798 PolarHBondContact O-N 2.93Å; E2794-N2798 PolarHBondContact O-ND2 3.35Å; E2794-N2798 PolarHBondContact O-OD1 3.34Å | ||
| 2795 | I | 35.1 | Very low | 36.2 | Very low | 97.4 Ų | 97.4 | 104.8 Ų | 104.8 | 50% | 0.499 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -55.6 | -36.8 | 176.9 | -66.3 | 169.1 | 0 | 0 | 0 | 111.1 | S2791 S2793 K2797 N2798 I2799 I2855 | S2791-I2795 VanDerWaalsContact O-CD1 3.24Å; S2791-I2795 WeakPolarHBondContact O-CD1 3.26Å; S2791-I2795 WeakPolarHBondContact O-CG1 3.27Å; S2791-I2795 PolarHBondContact O-N 3.08Å; S2793-I2795 PolarHBondContact O-N 2.99Å; I2795-K2797 VanDerWaalsContact C-N 3.29Å; I2795-K2797 PolarHBondContact O-N 3.09Å; I2795-N2798 PolarHBondContact O-N 2.97Å; I2795-I2799 HydrophobicContact CG2-CD1 3.75Å; I2795-I2799 HydrophobicContact CG2-CG1 4.25Å; I2795-I2799 WeakPolarHBondContact O-CB 3.33Å; I2795-I2799 VanDerWaalsContact O-CG1 3.3Å; I2795-I2799 WeakPolarHBondContact O-CG1 3.43Å; I2795-I2799 PolarHBondContact O-N 3.08Å; I2795-I2855 HydrophobicContact CG2-CD1 4.09Å |
| 2796 | S | 35.3 | Very low | 37.4 | Very low | 65.4 Ų | 65.4 | 105.1 Ų | 105.1 | 46% | 0.457 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.4 | -32.3 | 176.6 | 65.3 | 0 | 0 | 0 | 0 | 114 | S2793 E2794 K2800 | S2793-S2796 PolarHBondContact O-N 3.29Å; S2793-S2796 PolarHBondContact O-OG 3.26Å; E2794-S2796 VanDerWaalsContact C-N 3.34Å; E2794-S2796 WeakPolarHBondContact CB-OG 3.35Å; E2794-S2796 PolarHBondContact O-N 3.13Å; E2794-S2796 VanDerWaalsContact O-N 3.08Å; S2796-K2800 VanDerWaalsContact O-CB 3.26Å; S2796-K2800 WeakPolarHBondContact O-CB 3.24Å; S2796-K2800 VanDerWaalsContact O-CG 3.27Å; S2796-K2800 WeakPolarHBondContact O-CG 3.29Å; S2796-K2800 PolarHBondContact O-N 3.02Å |
| 2797 | K | 40.5 | Very low | 38.4 | Very low | 135 Ų | 135 | 103.8 Ų | 103.8 | 59% | 0.587 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.6 | -43.8 | 173.7 | -82.6 | 179.9 | 173.6 | 149.8 | 0 | 111.4 | S2793 E2794 I2795 I2799 K2800 T2801 | S2793-K2797 PolarHBondContact O-N 3.48Å; S2793-K2797 VanDerWaalsContact O-N 3.17Å; E2794-K2797 HydrophobicContact CB-CD 4.42Å; E2794-K2797 HydrophobicContact CB-CG 4.41Å; E2794-K2797 WeakPolarHBondContact O-CB 3.43Å; E2794-K2797 PolarHBondContact O-N 3Å; E2794-K2797 WeakPolarHBondContact OE2-CE 3.38Å; E2794-K2797 IonicContact OE2-NZ 3.07Å; E2794-K2797 PolarHBondContact OE2-NZ 3.39Å; I2795-K2797 VanDerWaalsContact C-N 3.29Å; I2795-K2797 PolarHBondContact O-N 3.09Å; K2797-I2799 VanDerWaalsContact C-N 3.32Å; K2797-I2799 PolarHBondContact O-N 3.1Å; K2797-K2800 PolarHBondContact O-N 3.07Å; K2797-K2800 VanDerWaalsContact O-N 3.1Å; K2797-T2801 WeakPolarHBondContact O-CB 3.36Å; K2797-T2801 PolarHBondContact O-N 3.03Å; K2797-T2801 PolarHBondContact O-OG1 3.14Å; K2797-T2801 VanDerWaalsContact O-OG1 3.11Å |
| 2798 | N | 40.7 | Very low | 39.6 | Very low | 60.2 Ų | 60.2 | 99.9 Ų | 99.9 | 32% | 0.322 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 179 | -70.3 | -0 | 0 | 0 | 0 | 111.6 | E2794 I2795 T2801 A2802 L2833 I2855 | E2794-N2798 VanDerWaalsContact O-CB 3.22Å; E2794-N2798 WeakPolarHBondContact O-CB 3.4Å; E2794-N2798 PolarHBondContact O-N 2.93Å; E2794-N2798 PolarHBondContact O-ND2 3.35Å; E2794-N2798 PolarHBondContact O-OD1 3.34Å; I2795-N2798 PolarHBondContact O-N 2.97Å; N2798-T2801 WeakPolarHBondContact CA-OG1 3.26Å; N2798-T2801 PolarHBondContact O-N 3.2Å; N2798-T2801 PolarHBondContact O-OG1 3.15Å; N2798-A2802 WeakPolarHBondContact O-CB 3.45Å; N2798-A2802 PolarHBondContact O-N 3.01Å; N2798-L2833 HydrophobicContact CB-CD2 3.86Å; N2798-L2833 VanDerWaalsContact CB-CD2 3.4Å; N2798-I2855 HydrophobicContact CB-CD1 4.32Å |
| 2799 | I | 40.5 | Very low | 40.8 | Very low | 92.4 Ų | 92.4 | 96.7 Ų | 96.7 | 47% | 0.474 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.6 | -50.5 | 172.2 | -69.1 | 170.5 | 0 | 0 | 0 | 110.3 | I2795 K2797 T2801 A2802 T2803 T2854 I2855 | I2795-I2799 HydrophobicContact CG2-CD1 3.75Å; I2795-I2799 HydrophobicContact CG2-CG1 4.25Å; I2795-I2799 WeakPolarHBondContact O-CB 3.33Å; I2795-I2799 VanDerWaalsContact O-CG1 3.3Å; I2795-I2799 WeakPolarHBondContact O-CG1 3.43Å; I2795-I2799 PolarHBondContact O-N 3.08Å; K2797-I2799 VanDerWaalsContact C-N 3.32Å; K2797-I2799 PolarHBondContact O-N 3.1Å; I2799-T2801 VanDerWaalsContact C-N 3.27Å; I2799-T2801 PolarHBondContact O-N 3.39Å; I2799-A2802 CarbonylContact O-C 3.58Å; I2799-A2802 WeakPolarHBondContact O-CA 3.1Å; I2799-A2802 WeakPolarHBondContact O-CB 3.39Å; I2799-A2802 PolarHBondContact O-N 3.14Å; I2799-A2802 VanDerWaalsContact O-N 3.16Å; I2799-T2803 PolarHBondContact O-N 3.12Å; I2799-T2803 PolarHBondContact O-OG1 2.99Å; I2799-T2803 VanDerWaalsContact O-OG1 3.06Å; I2799-T2854 WeakPolarHBondContact CD1-OG1 3.04Å; I2799-I2855 HydrophobicContact CD1-CG1 4.43Å; I2799-I2855 HydrophobicContact CG1-CD1 4.2Å; I2799-I2855 HydrophobicContact CG1-CG1 3.88Å |
| 2800 | K | 42.7 | Very low | 41.7 | Very low | 149.2 Ų | 149.2 | 91.4 Ų | 91.4 | 65% | 0.649 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59 | -37.3 | 178.3 | -79.7 | -174.8 | 174.6 | -169.7 | 0 | 113.1 | E2762 S2796 K2797 L2804 | E2762-K2800 IonicContact OE1-NZ 2.69Å; E2762-K2800 PolarHBondContact OE1-NZ 3.26Å; E2762-K2800 IonicContact OE2-NZ 2.66Å; E2762-K2800 PolarHBondContact OE2-NZ 3.1Å; S2796-K2800 VanDerWaalsContact O-CB 3.26Å; S2796-K2800 WeakPolarHBondContact O-CB 3.24Å; S2796-K2800 VanDerWaalsContact O-CG 3.27Å; S2796-K2800 WeakPolarHBondContact O-CG 3.29Å; S2796-K2800 PolarHBondContact O-N 3.02Å; K2797-K2800 PolarHBondContact O-N 3.07Å; K2797-K2800 VanDerWaalsContact O-N 3.1Å; K2800-L2804 VanDerWaalsContact O-CB 3.26Å; K2800-L2804 WeakPolarHBondContact O-CB 3.3Å; K2800-L2804 PolarHBondContact O-N 3.16Å |
| 2801 | T | 45.8 | Very low | 42.7 | Very low | 54.2 Ų | 54.2 | 88.4 Ų | 88.4 | 33% | 0.333 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69.8 | -40.7 | 175.7 | -7.4 | 0 | 0 | 0 | 0 | 111.4 | K2797 N2798 I2799 T2803 L2804 I2805 | K2797-T2801 WeakPolarHBondContact O-CB 3.36Å; K2797-T2801 PolarHBondContact O-N 3.03Å; K2797-T2801 PolarHBondContact O-OG1 3.14Å; K2797-T2801 VanDerWaalsContact O-OG1 3.11Å; N2798-T2801 WeakPolarHBondContact CA-OG1 3.26Å; N2798-T2801 PolarHBondContact O-N 3.2Å; N2798-T2801 PolarHBondContact O-OG1 3.15Å; I2799-T2801 VanDerWaalsContact C-N 3.27Å; I2799-T2801 PolarHBondContact O-N 3.39Å; T2801-T2803 PolarHBondContact O-N 3.29Å; T2801-L2804 PolarHBondContact O-N 3.17Å; T2801-I2805 HydrophobicContact CG2-CD1 4.19Å; T2801-I2805 WeakPolarHBondContact O-CB 3.29Å; T2801-I2805 WeakPolarHBondContact O-CD1 3.26Å; T2801-I2805 VanDerWaalsContact O-CG1 3.24Å; T2801-I2805 WeakPolarHBondContact O-CG1 3.33Å; T2801-I2805 PolarHBondContact O-N 3.2Å |
| 2802 | A | 45.6 | Very low | 43.4 | Very low | 42.6 Ų | 42.6 | 92.6 Ų | 92.6 | 35% | 0.352 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N2798 I2799 I2805 H2806 L2833 | N2798-A2802 WeakPolarHBondContact O-CB 3.45Å; N2798-A2802 PolarHBondContact O-N 3.01Å; I2799-A2802 CarbonylContact O-C 3.58Å; I2799-A2802 WeakPolarHBondContact O-CA 3.1Å; I2799-A2802 WeakPolarHBondContact O-CB 3.39Å; I2799-A2802 PolarHBondContact O-N 3.14Å; I2799-A2802 VanDerWaalsContact O-N 3.16Å; A2802-I2805 PolarHBondContact O-N 2.81Å; A2802-H2806 WeakPolarHBondContact O-CB 3.26Å; A2802-H2806 PolarHBondContact O-N 3.15Å; A2802-L2833 HydrophobicContact CB-CD1 4.1Å |
| 2803 | T | 47.1 | Very low | 44.3 | Very low | 61 Ų | 61 | 90.4 Ų | 90.4 | 37% | 0.374 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 174.9 | -43.2 | 0 | 0 | 0 | 0 | 111.1 | I2799 T2801 I2805 H2806 E2807 | I2799-T2803 PolarHBondContact O-N 3.12Å; I2799-T2803 PolarHBondContact O-OG1 2.99Å; I2799-T2803 VanDerWaalsContact O-OG1 3.06Å; T2801-T2803 PolarHBondContact O-N 3.29Å; T2803-I2805 VanDerWaalsContact C-N 3.33Å; T2803-I2805 PolarHBondContact O-N 3.12Å; T2803-H2806 CarbonylContact O-C 3.57Å; T2803-H2806 WeakPolarHBondContact O-CA 3.11Å; T2803-H2806 WeakPolarHBondContact O-CB 3.14Å; T2803-H2806 PolarHBondContact O-N 3.12Å; T2803-H2806 VanDerWaalsContact O-N 3.12Å; T2803-E2807 HydrophobicContact CG2-CG 4.39Å; T2803-E2807 WeakPolarHBondContact O-CG 3.36Å; T2803-E2807 PolarHBondContact O-N 2.97Å |
| 2804 | L | 49.8 | Very low | 45.1 | Very low | 88.2 Ų | 88.2 | 89.3 Ų | 89.3 | 46% | 0.462 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.8 | -35.4 | -178.7 | -160.7 | 126.7 | 0 | 0 | 0 | 112.3 | K2800 T2801 H2806 E2807 I2808 | K2800-L2804 VanDerWaalsContact O-CB 3.26Å; K2800-L2804 WeakPolarHBondContact O-CB 3.3Å; K2800-L2804 PolarHBondContact O-N 3.16Å; T2801-L2804 PolarHBondContact O-N 3.17Å; L2804-H2806 VanDerWaalsContact C-N 3.33Å; L2804-E2807 PolarHBondContact O-N 3.26Å; L2804-I2808 HydrophobicContact CD2-CD1 3.96Å; L2804-I2808 HydrophobicContact CD2-CG1 4.49Å; L2804-I2808 HydrophobicContact CG-CD1 4.33Å; L2804-I2808 WeakPolarHBondContact O-CB 3.33Å; L2804-I2808 WeakPolarHBondContact O-CD1 3.39Å; L2804-I2808 VanDerWaalsContact O-CG1 3.26Å; L2804-I2808 WeakPolarHBondContact O-CG1 3.33Å; L2804-I2808 PolarHBondContact O-N 3.19Å; L2804-I2808 VanDerWaalsContact O-N 3.1Å |
| 2805 | I | 51.3 | Low | 45.7 | Very low | 30 Ų | 30 | 86.6 Ų | 86.6 | 15% | 0.154 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 170.6 | -70.8 | 167.2 | 0 | 0 | 0 | 110.3 | T2801 A2802 T2803 E2807 I2808 Y2809 P2826 I2829 | T2801-I2805 HydrophobicContact CG2-CD1 4.19Å; T2801-I2805 WeakPolarHBondContact O-CB 3.29Å; T2801-I2805 WeakPolarHBondContact O-CD1 3.26Å; T2801-I2805 VanDerWaalsContact O-CG1 3.24Å; T2801-I2805 WeakPolarHBondContact O-CG1 3.33Å; T2801-I2805 PolarHBondContact O-N 3.2Å; A2802-I2805 PolarHBondContact O-N 2.81Å; T2803-I2805 VanDerWaalsContact C-N 3.33Å; T2803-I2805 PolarHBondContact O-N 3.12Å; I2805-E2807 VanDerWaalsContact C-N 3.34Å; I2805-E2807 PolarHBondContact O-N 3.16Å; I2805-I2808 PolarHBondContact O-N 3.05Å; I2805-Y2809 HydrophobicContact CG2-CD2 3.73Å; I2805-Y2809 HydrophobicContact CG2-CE2 3.69Å; I2805-Y2809 VanDerWaalsContact O-CD2 3.26Å; I2805-Y2809 WeakPolarHBondContact O-CD2 3.4Å; I2805-Y2809 PolarHBondContact O-N 3.25Å; I2805-Y2809 VanDerWaalsContact O-N 3.09Å; I2805-P2826 HydrophobicContact CG1-CB 4.44Å; I2805-P2826 HydrophobicContact CG2-CB 4.28Å; I2805-I2829 HydrophobicContact CD1-CB 4.24Å; I2805-I2829 HydrophobicContact CD1-CG2 4Å |
| 2806 | H | 49.7 | Very low | 46.2 | Very low | 103.8 Ų | 103.8 | 86.4 Ų | 86.4 | 48% | 0.481 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | 177.7 | -161.3 | -25.6 | 0 | 0 | 0 | 112.1 | A2802 T2803 L2804 I2808 Y2809 S2810 | A2802-H2806 WeakPolarHBondContact O-CB 3.26Å; A2802-H2806 PolarHBondContact O-N 3.15Å; T2803-H2806 CarbonylContact O-C 3.57Å; T2803-H2806 WeakPolarHBondContact O-CA 3.11Å; T2803-H2806 WeakPolarHBondContact O-CB 3.14Å; T2803-H2806 PolarHBondContact O-N 3.12Å; T2803-H2806 VanDerWaalsContact O-N 3.12Å; L2804-H2806 VanDerWaalsContact C-N 3.33Å; H2806-I2808 VanDerWaalsContact C-N 3.33Å; H2806-I2808 PolarHBondContact O-N 2.74Å; H2806-Y2809 PolarHBondContact O-N 3.1Å; H2806-S2810 PolarHBondContact ND1-OG 3.16Å; H2806-S2810 VanDerWaalsContact ND1-OG 3.07Å; H2806-S2810 WeakPolarHBondContact O-CB 3.32Å; H2806-S2810 PolarHBondContact O-N 3.08Å; H2806-S2810 PolarHBondContact O-OG 3.22Å; H2806-S2810 VanDerWaalsContact O-OG 3.11Å |
| 2807 | E | 47.6 | Very low | 46.8 | Very low | 119 Ų | 119 | 90.3 Ų | 90.3 | 56% | 0.556 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.6 | -45.2 | 174 | -76.1 | 171.5 | 167.7 | 0 | 0 | 111.3 | T2803 L2804 I2805 Y2809 S2810 D2811 | T2803-E2807 HydrophobicContact CG2-CG 4.39Å; T2803-E2807 WeakPolarHBondContact O-CG 3.36Å; T2803-E2807 PolarHBondContact O-N 2.97Å; L2804-E2807 PolarHBondContact O-N 3.26Å; I2805-E2807 VanDerWaalsContact C-N 3.34Å; I2805-E2807 PolarHBondContact O-N 3.16Å; E2807-Y2809 VanDerWaalsContact C-N 3.32Å; E2807-Y2809 PolarHBondContact O-N 3.18Å; E2807-S2810 VanDerWaalsContact CA-OG 3.28Å; E2807-S2810 WeakPolarHBondContact CA-OG 3.3Å; E2807-S2810 PolarHBondContact O-N 3.23Å; E2807-S2810 VanDerWaalsContact O-N 3.09Å; E2807-S2810 PolarHBondContact O-OG 3Å; E2807-D2811 PolarHBondContact O-N 3.26Å |
| 2808 | I | 51.1 | Low | 46.9 | Very low | 64 Ų | 64 | 85.7 Ų | 85.7 | 33% | 0.328 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 175.8 | -69.5 | 164.8 | 0 | 0 | 0 | 111.7 | L2804 I2805 H2806 S2810 V2814 | L2804-I2808 HydrophobicContact CD2-CD1 3.96Å; L2804-I2808 HydrophobicContact CD2-CG1 4.49Å; L2804-I2808 HydrophobicContact CG-CD1 4.33Å; L2804-I2808 WeakPolarHBondContact O-CB 3.33Å; L2804-I2808 WeakPolarHBondContact O-CD1 3.39Å; L2804-I2808 VanDerWaalsContact O-CG1 3.26Å; L2804-I2808 WeakPolarHBondContact O-CG1 3.33Å; L2804-I2808 PolarHBondContact O-N 3.19Å; L2804-I2808 VanDerWaalsContact O-N 3.1Å; I2805-I2808 PolarHBondContact O-N 3.05Å; H2806-I2808 VanDerWaalsContact C-N 3.33Å; H2806-I2808 PolarHBondContact O-N 2.74Å; I2808-S2810 VanDerWaalsContact C-N 3.29Å; I2808-S2810 PolarHBondContact O-N 3.04Å; I2808-V2814 HydrophobicContact CG2-CG1 4.31Å |
| 2809 | Y | 51.2 | Low | 47.3 | Very low | 79.8 Ų | 79.8 | 86.6 Ų | 86.6 | 31% | 0.313 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -74.3 | -14.8 | 176.6 | -81.7 | -63.2 | 0 | 0 | 0 | 114.3 | I2805 H2806 E2807 D2811 M2815 I2823 P2826 N2827 | I2805-Y2809 HydrophobicContact CG2-CD2 3.73Å; I2805-Y2809 HydrophobicContact CG2-CE2 3.69Å; I2805-Y2809 VanDerWaalsContact O-CD2 3.26Å; I2805-Y2809 WeakPolarHBondContact O-CD2 3.4Å; I2805-Y2809 PolarHBondContact O-N 3.25Å; I2805-Y2809 VanDerWaalsContact O-N 3.09Å; H2806-Y2809 PolarHBondContact O-N 3.1Å; E2807-Y2809 VanDerWaalsContact C-N 3.32Å; E2807-Y2809 PolarHBondContact O-N 3.18Å; Y2809-D2811 VanDerWaalsContact C-N 3.34Å; Y2809-M2815 HydrophobicContact CD1-CE 3.89Å; Y2809-M2815 HydrophobicContact CD1-CG 4.43Å; Y2809-M2815 HydrophobicContact CD1-SD 3.64Å; Y2809-M2815 VanDerWaalsContact CD1-SD 3.53Å; Y2809-M2815 HydrophobicContact CE1-CE 3.86Å; Y2809-M2815 HydrophobicContact CE1-SD 3.92Å; Y2809-I2823 HydrophobicContact CE1-CG2 4.21Å; Y2809-I2823 WeakPolarHBondContact OH-CG2 3.43Å; Y2809-I2823 PolarHBondContact OH-O 3.03Å; Y2809-P2826 HydrophobicContact CE2-CB 4.04Å; Y2809-P2826 HydrophobicContact CE2-CG 4.34Å; Y2809-N2827 PolarHBondContact OH-OD1 3.18Å |
| 2810 | S | 46.3 | Very low | 47.5 | Very low | 72.2 Ų | 72.2 | 89.9 Ų | 89.9 | 51% | 0.505 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -92.4 | -8.5 | -178.8 | -39.8 | 0 | 0 | 0 | 0 | 113.8 | N2550 H2806 E2807 I2808 | N2550-S2810 WeakPolarHBondContact ND2-CB 3.4Å; N2550-S2810 PolarHBondContact ND2-OG 3.5Å; H2806-S2810 PolarHBondContact ND1-OG 3.16Å; H2806-S2810 VanDerWaalsContact ND1-OG 3.07Å; H2806-S2810 WeakPolarHBondContact O-CB 3.32Å; H2806-S2810 PolarHBondContact O-N 3.08Å; H2806-S2810 PolarHBondContact O-OG 3.22Å; H2806-S2810 VanDerWaalsContact O-OG 3.11Å; E2807-S2810 VanDerWaalsContact CA-OG 3.28Å; E2807-S2810 WeakPolarHBondContact CA-OG 3.3Å; E2807-S2810 PolarHBondContact O-N 3.23Å; E2807-S2810 VanDerWaalsContact O-N 3.09Å; E2807-S2810 PolarHBondContact O-OG 3Å; I2808-S2810 VanDerWaalsContact C-N 3.29Å; I2808-S2810 PolarHBondContact O-N 3.04Å |
| 2811 | D | 49.4 | Very low | 47.7 | Very low | 73.4 Ų | 73.4 | 88.4 Ų | 88.4 | 39% | 0.393 | 46% | 0.464 | S | S | . | . | trans | -101.3 | 102.9 | 178.5 | -167.8 | -31.7 | 0 | 0 | 0 | 110.5 | E2807 Y2809 Q2813 V2814 M2815 | E2807-D2811 PolarHBondContact O-N 3.26Å; Y2809-D2811 VanDerWaalsContact C-N 3.34Å; D2811-Q2813 VanDerWaalsContact C-N 3.27Å; D2811-Q2813 PolarHBondContact O-N 3.3Å; D2811-Q2813 VanDerWaalsContact O-N 3.15Å; D2811-Q2813 WeakPolarHBondContact OD1-CA 3.41Å; D2811-Q2813 WeakPolarHBondContact OD1-CB 3.32Å; D2811-Q2813 PolarHBondContact OD1-N 3.18Å; D2811-Q2813 VanDerWaalsContact OD1-N 3.11Å; D2811-V2814 HydrophobicContact CB-CB 4.1Å; D2811-V2814 HydrophobicContact CB-CG2 3.93Å; D2811-V2814 PolarHBondContact O-N 3.14Å; D2811-V2814 VanDerWaalsContact O-N 3.14Å; D2811-V2814 PolarHBondContact OD1-N 3.13Å; D2811-M2815 WeakPolarHBondContact O-CB 3.28Å; D2811-M2815 WeakPolarHBondContact O-CG 3.29Å; D2811-M2815 PolarHBondContact O-N 3.33Å; D2811-M2815 VanDerWaalsContact O-N 3.13Å | ||
| 2812 | E | 44 | Very low | 47.7 | Very low | 170.8 Ų | 170.8 | 90.2 Ų | 90.2 | 80% | 0.798 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.6 | -30.4 | 179.8 | -70.8 | -173.2 | 145.1 | 0 | 0 | 112.9 | S2816 | E2812-S2816 VanDerWaalsContact O-CB 3.29Å; E2812-S2816 WeakPolarHBondContact O-CB 3.31Å; E2812-S2816 PolarHBondContact O-N 3.3Å; E2812-S2816 VanDerWaalsContact O-N 3.15Å; E2812-S2816 PolarHBondContact O-OG 3.26Å |
| 2813 | Q | 47.6 | Very low | 47.8 | Very low | 150.8 Ų | 150.8 | 90.2 Ų | 90.2 | 71% | 0.705 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -70.8 | -39.5 | 177.4 | -70.1 | -168.4 | -9.9 | 0 | 0 | 111.2 | D2811 S2816 | D2811-Q2813 VanDerWaalsContact C-N 3.27Å; D2811-Q2813 PolarHBondContact O-N 3.3Å; D2811-Q2813 VanDerWaalsContact O-N 3.15Å; D2811-Q2813 WeakPolarHBondContact OD1-CA 3.41Å; D2811-Q2813 WeakPolarHBondContact OD1-CB 3.32Å; D2811-Q2813 PolarHBondContact OD1-N 3.18Å; D2811-Q2813 VanDerWaalsContact OD1-N 3.11Å; Q2813-S2816 PolarHBondContact O-N 3.19Å; Q2813-S2816 PolarHBondContact O-OG 3.12Å |
| 2814 | V | 50.2 | Low | 47.7 | Very low | 52.8 Ų | 52.8 | 92.5 Ų | 92.5 | 32% | 0.32 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.2 | -49.8 | 175.2 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | I2808 D2811 S2816 Q2817 V2818 | I2808-V2814 HydrophobicContact CG2-CG1 4.31Å; D2811-V2814 HydrophobicContact CB-CB 4.1Å; D2811-V2814 HydrophobicContact CB-CG2 3.93Å; D2811-V2814 PolarHBondContact O-N 3.14Å; D2811-V2814 VanDerWaalsContact O-N 3.14Å; D2811-V2814 PolarHBondContact OD1-N 3.13Å; V2814-S2816 PolarHBondContact O-N 3.11Å; V2814-S2816 VanDerWaalsContact O-N 3.16Å; V2814-Q2817 PolarHBondContact O-N 2.89Å; V2814-V2818 HydrophobicContact CG1-CG2 4.23Å; V2814-V2818 WeakPolarHBondContact O-CG2 3.38Å; V2814-V2818 PolarHBondContact O-N 3.28Å |
| 2815 | M | 48.4 | Very low | 47.8 | Very low | 55.8 Ų | 55.8 | 94 Ų | 94 | 28% | 0.275 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61 | -27.8 | 179.9 | -78 | -61.3 | -61.6 | 0 | 0 | 113.5 | Y2809 D2811 Q2817 V2818 I2823 | Y2809-M2815 HydrophobicContact CD1-CE 3.89Å; Y2809-M2815 HydrophobicContact CD1-CG 4.43Å; Y2809-M2815 HydrophobicContact CD1-SD 3.64Å; Y2809-M2815 VanDerWaalsContact CD1-SD 3.53Å; Y2809-M2815 HydrophobicContact CE1-CE 3.86Å; Y2809-M2815 HydrophobicContact CE1-SD 3.92Å; D2811-M2815 WeakPolarHBondContact O-CB 3.28Å; D2811-M2815 WeakPolarHBondContact O-CG 3.29Å; D2811-M2815 PolarHBondContact O-N 3.33Å; D2811-M2815 VanDerWaalsContact O-N 3.13Å; M2815-Q2817 VanDerWaalsContact C-N 3.27Å; M2815-Q2817 PolarHBondContact O-N 3.12Å; M2815-Q2817 VanDerWaalsContact O-N 3.15Å; M2815-V2818 PolarHBondContact O-N 3.42Å; M2815-I2823 HydrophobicContact CE-CD1 3.85Å; M2815-I2823 HydrophobicContact CE-CG1 4.11Å; M2815-I2823 HydrophobicContact CE-CG2 4.43Å |
| 2816 | S | 45.9 | Very low | 47.4 | Very low | 94.4 Ų | 94.4 | 94 Ų | 94 | 66% | 0.66 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -15.3 | 174.1 | 76.9 | 0 | 0 | 0 | 0 | 114.7 | E2812 Q2813 V2814 | E2812-S2816 VanDerWaalsContact O-CB 3.29Å; E2812-S2816 WeakPolarHBondContact O-CB 3.31Å; E2812-S2816 PolarHBondContact O-N 3.3Å; E2812-S2816 VanDerWaalsContact O-N 3.15Å; E2812-S2816 PolarHBondContact O-OG 3.26Å; Q2813-S2816 PolarHBondContact O-N 3.19Å; Q2813-S2816 PolarHBondContact O-OG 3.12Å; V2814-S2816 PolarHBondContact O-N 3.11Å; V2814-S2816 VanDerWaalsContact O-N 3.16Å |
| 2817 | Q | 47 | Very low | 47.2 | Very low | 147.6 Ų | 147.6 | 92.6 Ų | 92.6 | 69% | 0.69 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | -11 | -176.5 | -61.5 | -176.5 | 26 | 0 | 0 | 114.1 | V2814 M2815 | V2814-Q2817 PolarHBondContact O-N 2.89Å; M2815-Q2817 VanDerWaalsContact C-N 3.27Å; M2815-Q2817 PolarHBondContact O-N 3.12Å; M2815-Q2817 VanDerWaalsContact O-N 3.15Å |
| 2818 | V | 43.6 | Very low | 47.3 | Very low | 36.6 Ų | 36.6 | 91.5 Ų | 91.5 | 22% | 0.222 | 47% | 0.468 | C | S | . | . | trans | -86.7 | 129.2 | -176.5 | -178 | 0 | 0 | 0 | 0 | 110.6 | V2814 M2815 E2822 I2823 | V2814-V2818 HydrophobicContact CG1-CG2 4.23Å; V2814-V2818 WeakPolarHBondContact O-CG2 3.38Å; V2814-V2818 PolarHBondContact O-N 3.28Å; M2815-V2818 PolarHBondContact O-N 3.42Å; V2818-E2822 HydrophobicContact CG1-CB 3.53Å; V2818-E2822 VanDerWaalsContact CG1-CB 3.45Å; V2818-E2822 HydrophobicContact CG1-CG 4.45Å; V2818-I2823 HydrophobicContact CB-CG1 4.41Å; V2818-I2823 HydrophobicContact CG1-CD1 4.48Å; V2818-I2823 HydrophobicContact CG1-CG1 3.82Å | ||
| 2819 | T | 48.7 | Very low | 47.2 | Very low | 79.6 Ų | 79.6 | 91.3 Ų | 91.3 | 49% | 0.488 | 47% | 0.467 | S | S | . | . | trans | -77.1 | 154 | 179.1 | 63.7 | 0 | 0 | 0 | 0 | 112.2 | N2821 E2822 I2823 | T2819-N2821 PolarHBondContact O-N 3.1Å; T2819-N2821 VanDerWaalsContact O-N 3.1Å; T2819-E2822 WeakPolarHBondContact CB-OE2 3.36Å; T2819-E2822 PolarHBondContact N-OE2 3.14Å; T2819-E2822 VanDerWaalsContact N-OE2 3.1Å; T2819-E2822 WeakPolarHBondContact O-CA 3.34Å; T2819-E2822 WeakPolarHBondContact O-CB 3.27Å; T2819-E2822 PolarHBondContact O-N 3.14Å; T2819-E2822 VanDerWaalsContact OG1-CD 3.27Å; T2819-E2822 WeakPolarHBondContact OG1-CG 3.49Å; T2819-E2822 PolarHBondContact OG1-OE2 3.22Å; T2819-I2823 PolarHBondContact O-N 3.02Å; T2819-I2823 VanDerWaalsContact O-N 3.11Å | ||
| 2820 | F | 44.7 | Very low | 46.9 | Very low | 161.2 Ų | 161.2 | 89.5 Ų | 89.5 | 71% | 0.707 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -51.8 | -35.4 | -177.5 | -166 | -92.1 | 0 | 0 | 0 | 114 | E2822 I2823 Q2824 | F2820-E2822 VanDerWaalsContact C-N 3.29Å; F2820-E2822 PolarHBondContact O-N 3.2Å; F2820-I2823 PolarHBondContact O-N 3.3Å; F2820-Q2824 PolarHBondContact O-N 2.96Å |
| 2821 | N | 46.8 | Very low | 46.8 | Very low | 117.6 Ų | 117.6 | 89.4 Ų | 89.4 | 63% | 0.629 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -71.5 | -24 | 177.2 | -68.8 | -15.3 | 0 | 0 | 0 | 113.4 | T2819 Q2824 | T2819-N2821 PolarHBondContact O-N 3.1Å; T2819-N2821 VanDerWaalsContact O-N 3.1Å; N2821-Q2824 PolarHBondContact O-N 3.34Å |
| 2822 | E | 45.3 | Very low | 46.8 | Very low | 92 Ų | 92 | 90.9 Ų | 90.9 | 43% | 0.43 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -83.9 | -29 | 177.1 | -67.8 | 166.8 | 138.2 | 0 | 0 | 111.3 | V2818 T2819 F2820 Q2824 K2825 P2826 | V2818-E2822 HydrophobicContact CG1-CB 3.53Å; V2818-E2822 VanDerWaalsContact CG1-CB 3.45Å; V2818-E2822 HydrophobicContact CG1-CG 4.45Å; T2819-E2822 WeakPolarHBondContact CB-OE2 3.36Å; T2819-E2822 PolarHBondContact N-OE2 3.14Å; T2819-E2822 VanDerWaalsContact N-OE2 3.1Å; T2819-E2822 WeakPolarHBondContact O-CA 3.34Å; T2819-E2822 WeakPolarHBondContact O-CB 3.27Å; T2819-E2822 PolarHBondContact O-N 3.14Å; T2819-E2822 VanDerWaalsContact OG1-CD 3.27Å; T2819-E2822 WeakPolarHBondContact OG1-CG 3.49Å; T2819-E2822 PolarHBondContact OG1-OE2 3.22Å; F2820-E2822 VanDerWaalsContact C-N 3.29Å; F2820-E2822 PolarHBondContact O-N 3.2Å; E2822-Q2824 VanDerWaalsContact C-N 3.32Å; E2822-Q2824 PolarHBondContact O-N 2.9Å; E2822-K2825 PolarHBondContact O-N 2.89Å; E2822-P2826 WeakPolarHBondContact O-CD 3.4Å |
| 2823 | I | 47.2 | Very low | 46.8 | Very low | 43 Ų | 43 | 84.8 Ų | 84.8 | 22% | 0.221 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -68.1 | -29.4 | 170.4 | -60 | 173.7 | 0 | 0 | 0 | 111.7 | Y2809 M2815 V2818 T2819 F2820 K2825 P2826 N2827 | Y2809-I2823 HydrophobicContact CE1-CG2 4.21Å; Y2809-I2823 WeakPolarHBondContact OH-CG2 3.43Å; Y2809-I2823 PolarHBondContact OH-O 3.03Å; M2815-I2823 HydrophobicContact CE-CD1 3.85Å; M2815-I2823 HydrophobicContact CE-CG1 4.11Å; M2815-I2823 HydrophobicContact CE-CG2 4.43Å; V2818-I2823 HydrophobicContact CB-CG1 4.41Å; V2818-I2823 HydrophobicContact CG1-CD1 4.48Å; V2818-I2823 HydrophobicContact CG1-CG1 3.82Å; T2819-I2823 PolarHBondContact O-N 3.02Å; T2819-I2823 VanDerWaalsContact O-N 3.11Å; F2820-I2823 PolarHBondContact O-N 3.3Å; I2823-K2825 VanDerWaalsContact C-N 3.33Å; I2823-K2825 PolarHBondContact O-N 3.33Å; I2823-P2826 VanDerWaalsContact O-CD 3.27Å; I2823-P2826 WeakPolarHBondContact O-CD 3.38Å; I2823-P2826 VanDerWaalsContact O-CG 3.3Å; I2823-P2826 WeakPolarHBondContact O-CG 3.36Å; I2823-N2827 PolarHBondContact O-N 2.76Å |
| 2824 | Q | 46.5 | Very low | 46.6 | Very low | 109.6 Ų | 109.6 | 83.1 Ų | 83.1 | 51% | 0.512 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.9 | -31.1 | -176.6 | -147.2 | 170 | 13.3 | 0 | 0 | 113.5 | F2820 N2821 E2822 N2827 D2828 | F2820-Q2824 PolarHBondContact O-N 2.96Å; N2821-Q2824 PolarHBondContact O-N 3.34Å; E2822-Q2824 VanDerWaalsContact C-N 3.32Å; E2822-Q2824 PolarHBondContact O-N 2.9Å; Q2824-N2827 PolarHBondContact O-N 3.14Å; Q2824-D2828 PolarHBondContact O-N 3.06Å; Q2824-D2828 VanDerWaalsContact O-N 3.15Å |
| 2825 | K | 50.6 | Low | 46.3 | Very low | 119 Ų | 119 | 86.8 Ų | 86.8 | 52% | 0.517 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.4 | -45.7 | 179.8 | -73.5 | -175 | 178.9 | -176.7 | 0 | 114.9 | T2773 D2777 E2822 I2823 N2827 D2828 I2829 | T2773-K2825 HydrophobicContact CG2-CD 4.33Å; D2777-K2825 IonicContact OD2-NZ 3.28Å; E2822-K2825 PolarHBondContact O-N 2.89Å; I2823-K2825 VanDerWaalsContact C-N 3.33Å; I2823-K2825 PolarHBondContact O-N 3.33Å; K2825-N2827 VanDerWaalsContact C-N 3.3Å; K2825-N2827 PolarHBondContact O-N 3.15Å; K2825-D2828 PolarHBondContact O-N 3.18Å; K2825-I2829 WeakPolarHBondContact O-CD1 3.27Å; K2825-I2829 VanDerWaalsContact O-CG1 3.27Å; K2825-I2829 WeakPolarHBondContact O-CG1 3.42Å; K2825-I2829 PolarHBondContact O-N 2.97Å; K2825-I2829 VanDerWaalsContact O-N 3.13Å |
| 2826 | P | 43.7 | Very low | 45.9 | Very low | 30 Ų | 30 | 89.7 Ų | 89.7 | 20% | 0.195 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -63 | -36.7 | 175.5 | 3.4 | -6.7 | 0 | 0 | 0 | 112.9 | I2805 Y2809 E2822 I2823 D2828 I2829 D2830 | I2805-P2826 HydrophobicContact CG1-CB 4.44Å; I2805-P2826 HydrophobicContact CG2-CB 4.28Å; Y2809-P2826 HydrophobicContact CE2-CB 4.04Å; Y2809-P2826 HydrophobicContact CE2-CG 4.34Å; E2822-P2826 WeakPolarHBondContact O-CD 3.4Å; I2823-P2826 VanDerWaalsContact O-CD 3.27Å; I2823-P2826 WeakPolarHBondContact O-CD 3.38Å; I2823-P2826 VanDerWaalsContact O-CG 3.3Å; I2823-P2826 WeakPolarHBondContact O-CG 3.36Å; P2826-D2828 PolarHBondContact O-N 3.15Å; P2826-I2829 CarbonylContact O-C 3.57Å; P2826-I2829 WeakPolarHBondContact O-CB 3.21Å; P2826-I2829 PolarHBondContact O-N 3.27Å; P2826-I2829 VanDerWaalsContact O-N 3.13Å; P2826-D2830 PolarHBondContact O-N 3.09Å |
| 2827 | N | 45 | Very low | 45.4 | Very low | 76 Ų | 76 | 90.7 Ų | 90.7 | 41% | 0.406 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 175.6 | -77.5 | -16.8 | 0 | 0 | 0 | 112.3 | Y2809 I2823 Q2824 K2825 I2829 D2830 V2831 Y2866 | Y2809-N2827 PolarHBondContact OH-OD1 3.18Å; I2823-N2827 PolarHBondContact O-N 2.76Å; Q2824-N2827 PolarHBondContact O-N 3.14Å; K2825-N2827 VanDerWaalsContact C-N 3.3Å; K2825-N2827 PolarHBondContact O-N 3.15Å; N2827-I2829 VanDerWaalsContact C-N 3.27Å; N2827-I2829 PolarHBondContact O-N 3.05Å; N2827-I2829 VanDerWaalsContact O-N 3.17Å; N2827-D2830 PolarHBondContact O-N 3.1Å; N2827-V2831 WeakPolarHBondContact O-CB 3.27Å; N2827-V2831 VanDerWaalsContact O-CG2 3.26Å; N2827-V2831 WeakPolarHBondContact O-CG2 3.38Å; N2827-V2831 PolarHBondContact O-N 3.11Å; N2827-Y2866 PolarHBondContact ND2-OH 2.71Å; N2827-Y2866 PolarHBondContact OD1-OH 3.07Å |
| 2828 | D | 50.1 | Low | 44.6 | Very low | 95.2 Ų | 95.2 | 91.4 Ų | 91.4 | 51% | 0.509 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.6 | -27.6 | 175.5 | -93.4 | -2.9 | 0 | 0 | 0 | 112.8 | Q2824 K2825 P2826 K2832 | Q2824-D2828 PolarHBondContact O-N 3.06Å; Q2824-D2828 VanDerWaalsContact O-N 3.15Å; K2825-D2828 PolarHBondContact O-N 3.18Å; P2826-D2828 PolarHBondContact O-N 3.15Å; D2828-K2832 WeakPolarHBondContact O-CB 3.26Å; D2828-K2832 WeakPolarHBondContact O-CD 3.36Å; D2828-K2832 VanDerWaalsContact O-CG 3.3Å; D2828-K2832 WeakPolarHBondContact O-CG 3.31Å; D2828-K2832 PolarHBondContact O-N 3.22Å; D2828-K2832 VanDerWaalsContact O-N 3.16Å; D2828-K2832 PolarHBondContact O-NZ 2.58Å; D2828-K2832 IonicContact OD1-NZ 2.88Å; D2828-K2832 PolarHBondContact OD1-NZ 3.29Å; D2828-K2832 IonicContact OD2-NZ 2.65Å; D2828-K2832 PolarHBondContact OD2-NZ 2.85Å |
| 2829 | I | 48.5 | Very low | 43.9 | Very low | 60.4 Ų | 60.4 | 96.4 Ų | 96.4 | 31% | 0.31 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -78.7 | -43.8 | 177.3 | -66 | 167.6 | 0 | 0 | 0 | 110.9 | I2805 K2825 P2826 N2827 V2831 K2832 L2833 | I2805-I2829 HydrophobicContact CD1-CB 4.24Å; I2805-I2829 HydrophobicContact CD1-CG2 4Å; K2825-I2829 WeakPolarHBondContact O-CD1 3.27Å; K2825-I2829 VanDerWaalsContact O-CG1 3.27Å; K2825-I2829 WeakPolarHBondContact O-CG1 3.42Å; K2825-I2829 PolarHBondContact O-N 2.97Å; K2825-I2829 VanDerWaalsContact O-N 3.13Å; P2826-I2829 CarbonylContact O-C 3.57Å; P2826-I2829 WeakPolarHBondContact O-CB 3.21Å; P2826-I2829 PolarHBondContact O-N 3.27Å; P2826-I2829 VanDerWaalsContact O-N 3.13Å; N2827-I2829 VanDerWaalsContact C-N 3.27Å; N2827-I2829 PolarHBondContact O-N 3.05Å; N2827-I2829 VanDerWaalsContact O-N 3.17Å; I2829-V2831 VanDerWaalsContact C-N 3.34Å; I2829-V2831 PolarHBondContact O-N 3.01Å; I2829-K2832 PolarHBondContact O-N 3.07Å; I2829-K2832 VanDerWaalsContact O-N 3.08Å; I2829-L2833 HydrophobicContact CG2-CD1 3.97Å; I2829-L2833 HydrophobicContact CG2-CG 4.44Å; I2829-L2833 WeakPolarHBondContact O-CB 3.37Å; I2829-L2833 WeakPolarHBondContact O-CG 3.31Å; I2829-L2833 PolarHBondContact O-N 3.21Å |
| 2830 | D | 44.8 | Very low | 42.9 | Very low | 40.8 Ų | 40.8 | 101.2 Ų | 101.2 | 22% | 0.218 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 178.4 | -166.5 | 29.2 | 0 | 0 | 0 | 111.6 | P2826 N2827 K2832 L2833 R2834 | P2826-D2830 PolarHBondContact O-N 3.09Å; N2827-D2830 PolarHBondContact O-N 3.1Å; D2830-K2832 VanDerWaalsContact C-N 3.33Å; D2830-K2832 PolarHBondContact O-N 3.23Å; D2830-L2833 PolarHBondContact O-N 2.99Å; D2830-L2833 VanDerWaalsContact O-N 3.17Å; D2830-R2834 WeakPolarHBondContact O-CB 3.47Å; D2830-R2834 VanDerWaalsContact O-CG 3.25Å; D2830-R2834 WeakPolarHBondContact O-CG 3.19Å; D2830-R2834 PolarHBondContact O-N 3.06Å; D2830-R2834 IonicContact OD1-CZ 2.95Å; D2830-R2834 IonicContact OD1-NE 3.11Å; D2830-R2834 PolarHBondContact OD1-NE 3.17Å; D2830-R2834 IonicContact OD1-NH2 3.39Å; D2830-R2834 IonicContact OD2-CZ 2.76Å; D2830-R2834 VanDerWaalsContact OD2-CZ 3.24Å; D2830-R2834 IonicContact OD2-NE 3.05Å; D2830-R2834 PolarHBondContact OD2-NE 2.99Å; D2830-R2834 VanDerWaalsContact OD2-NE 3.11Å; D2830-R2834 IonicContact OD2-NH2 3.54Å; D2830-R2834 PolarHBondContact OD2-NH2 3.42Å |
| 2831 | V | 45.4 | Very low | 42.1 | Very low | 70.4 Ų | 70.4 | 102.4 Ų | 102.4 | 43% | 0.427 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 172.9 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | N2827 I2829 L2833 R2834 Q2835 | N2827-V2831 WeakPolarHBondContact O-CB 3.27Å; N2827-V2831 VanDerWaalsContact O-CG2 3.26Å; N2827-V2831 WeakPolarHBondContact O-CG2 3.38Å; N2827-V2831 PolarHBondContact O-N 3.11Å; I2829-V2831 VanDerWaalsContact C-N 3.34Å; I2829-V2831 PolarHBondContact O-N 3.01Å; V2831-L2833 PolarHBondContact O-N 3.41Å; V2831-R2834 PolarHBondContact O-N 3.08Å; V2831-Q2835 HydrophobicContact CG1-CG 4.36Å; V2831-Q2835 WeakPolarHBondContact O-CB 3.12Å; V2831-Q2835 VanDerWaalsContact O-CG 3.28Å; V2831-Q2835 WeakPolarHBondContact O-CG 3.34Å; V2831-Q2835 PolarHBondContact O-N 3.08Å |
| 2832 | K | 47.7 | Very low | 41.1 | Very low | 105 Ų | 105 | 103.8 Ų | 103.8 | 46% | 0.457 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.6 | -34.2 | 177 | -75.2 | 177.2 | -176 | 155.7 | 0 | 112.9 | F2780 D2828 I2829 D2830 R2834 Q2835 N2836 | F2780-K2832 HydrophobicContact CD1-CD 4.33Å; F2780-K2832 HydrophobicContact CE1-CB 4.37Å; F2780-K2832 HydrophobicContact CE1-CD 4.02Å; F2780-K2832 HydrophobicContact CZ-CB 4.41Å; D2828-K2832 WeakPolarHBondContact O-CB 3.26Å; D2828-K2832 WeakPolarHBondContact O-CD 3.36Å; D2828-K2832 VanDerWaalsContact O-CG 3.3Å; D2828-K2832 WeakPolarHBondContact O-CG 3.31Å; D2828-K2832 PolarHBondContact O-N 3.22Å; D2828-K2832 VanDerWaalsContact O-N 3.16Å; D2828-K2832 PolarHBondContact O-NZ 2.58Å; D2828-K2832 IonicContact OD1-NZ 2.88Å; D2828-K2832 PolarHBondContact OD1-NZ 3.29Å; D2828-K2832 IonicContact OD2-NZ 2.65Å; D2828-K2832 PolarHBondContact OD2-NZ 2.85Å; I2829-K2832 PolarHBondContact O-N 3.07Å; I2829-K2832 VanDerWaalsContact O-N 3.08Å; D2830-K2832 VanDerWaalsContact C-N 3.33Å; D2830-K2832 PolarHBondContact O-N 3.23Å; K2832-R2834 VanDerWaalsContact C-N 3.34Å; K2832-Q2835 PolarHBondContact O-N 2.89Å; K2832-N2836 WeakPolarHBondContact O-CB 3.36Å; K2832-N2836 PolarHBondContact O-N 3.01Å; K2832-N2836 VanDerWaalsContact O-N 3.08Å; K2832-N2836 PolarHBondContact O-ND2 3.35Å |
| 2833 | L | 45 | Very low | 40.3 | Very low | 43 Ų | 43 | 104.9 Ų | 104.9 | 23% | 0.225 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 173.6 | -76.5 | 168.4 | 0 | 0 | 0 | 111.7 | N2798 A2802 I2829 D2830 V2831 N2836 N2837 | N2798-L2833 HydrophobicContact CB-CD2 3.86Å; N2798-L2833 VanDerWaalsContact CB-CD2 3.4Å; A2802-L2833 HydrophobicContact CB-CD1 4.1Å; I2829-L2833 HydrophobicContact CG2-CD1 3.97Å; I2829-L2833 HydrophobicContact CG2-CG 4.44Å; I2829-L2833 WeakPolarHBondContact O-CB 3.37Å; I2829-L2833 WeakPolarHBondContact O-CG 3.31Å; I2829-L2833 PolarHBondContact O-N 3.21Å; D2830-L2833 PolarHBondContact O-N 2.99Å; D2830-L2833 VanDerWaalsContact O-N 3.17Å; V2831-L2833 PolarHBondContact O-N 3.41Å; L2833-N2836 PolarHBondContact O-N 2.61Å; L2833-N2837 VanDerWaalsContact O-CG 3.3Å; L2833-N2837 PolarHBondContact O-N 3.39Å; L2833-N2837 PolarHBondContact O-ND2 3.18Å |
| 2834 | R | 43.2 | Very low | 39.4 | Very low | 116 Ų | 116 | 107.7 Ų | 107.7 | 44% | 0.438 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.9 | -39.1 | 176.7 | -69.5 | 175.2 | -171.1 | -152.1 | 4.1 | 112.9 | D2830 V2831 K2832 N2836 N2837 N2862 F2863 | D2830-R2834 WeakPolarHBondContact O-CB 3.47Å; D2830-R2834 VanDerWaalsContact O-CG 3.25Å; D2830-R2834 WeakPolarHBondContact O-CG 3.19Å; D2830-R2834 PolarHBondContact O-N 3.06Å; D2830-R2834 IonicContact OD1-CZ 2.95Å; D2830-R2834 IonicContact OD1-NE 3.11Å; D2830-R2834 PolarHBondContact OD1-NE 3.17Å; D2830-R2834 IonicContact OD1-NH2 3.39Å; D2830-R2834 IonicContact OD2-CZ 2.76Å; D2830-R2834 VanDerWaalsContact OD2-CZ 3.24Å; D2830-R2834 IonicContact OD2-NE 3.05Å; D2830-R2834 PolarHBondContact OD2-NE 2.99Å; D2830-R2834 VanDerWaalsContact OD2-NE 3.11Å; D2830-R2834 IonicContact OD2-NH2 3.54Å; D2830-R2834 PolarHBondContact OD2-NH2 3.42Å; V2831-R2834 PolarHBondContact O-N 3.08Å; K2832-R2834 VanDerWaalsContact C-N 3.34Å; R2834-N2836 VanDerWaalsContact C-N 3.31Å; R2834-N2836 PolarHBondContact O-N 3.14Å; R2834-N2837 PolarHBondContact O-N 3.04Å; R2834-N2837 VanDerWaalsContact O-N 3.17Å; R2834-N2862 PolarHBondContact NH1-ND2 3.12Å; R2834-N2862 PolarHBondContact NH1-OD1 2.83Å; R2834-N2862 PolarHBondContact NH2-ND2 3.42Å; R2834-F2863 HydrophobicContact CB-CE2 4.49Å; R2834-F2863 VanDerWaalsContact NH1-CE1 3.33Å; R2834-F2863 VanDerWaalsContact NH1-CZ 3.28Å |
| 2835 | Q | 43.4 | Very low | 38.6 | Very low | 129.6 Ų | 129.6 | 107.4 Ų | 107.4 | 61% | 0.606 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.8 | -33.4 | 179 | -76.8 | 178.2 | -13.1 | 0 | 0 | 113.2 | V2831 K2832 N2837 F2838 | V2831-Q2835 HydrophobicContact CG1-CG 4.36Å; V2831-Q2835 WeakPolarHBondContact O-CB 3.12Å; V2831-Q2835 VanDerWaalsContact O-CG 3.28Å; V2831-Q2835 WeakPolarHBondContact O-CG 3.34Å; V2831-Q2835 PolarHBondContact O-N 3.08Å; K2832-Q2835 PolarHBondContact O-N 2.89Å; Q2835-N2837 VanDerWaalsContact C-N 3.33Å; Q2835-N2837 PolarHBondContact O-N 3.14Å; Q2835-F2838 PolarHBondContact O-N 3.37Å |
| 2836 | N | 40.2 | Very low | 37.8 | Very low | 116.4 Ų | 116.4 | 105.3 Ų | 105.3 | 62% | 0.622 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 0.2 | -179 | -79.6 | -37.5 | 0 | 0 | 0 | 114.3 | K2832 L2833 R2834 | K2832-N2836 WeakPolarHBondContact O-CB 3.36Å; K2832-N2836 PolarHBondContact O-N 3.01Å; K2832-N2836 VanDerWaalsContact O-N 3.08Å; K2832-N2836 PolarHBondContact O-ND2 3.35Å; L2833-N2836 PolarHBondContact O-N 2.61Å; R2834-N2836 VanDerWaalsContact C-N 3.31Å; R2834-N2836 PolarHBondContact O-N 3.14Å |
| 2837 | N | 36.6 | Very low | 37.2 | Very low | 116 Ų | 116 | 110.7 Ų | 110.7 | 62% | 0.62 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 8.1 | -178.7 | -76.8 | -41.8 | 0 | 0 | 0 | 114.6 | L2833 R2834 Q2835 L2839 | L2833-N2837 VanDerWaalsContact O-CG 3.3Å; L2833-N2837 PolarHBondContact O-N 3.39Å; L2833-N2837 PolarHBondContact O-ND2 3.18Å; R2834-N2837 PolarHBondContact O-N 3.04Å; R2834-N2837 VanDerWaalsContact O-N 3.17Å; Q2835-N2837 VanDerWaalsContact C-N 3.33Å; Q2835-N2837 PolarHBondContact O-N 3.14Å; N2837-L2839 HydrophobicContact CB-CD1 3.97Å |
| 2838 | F | 29.9 | Very low | 36.7 | Very low | 162.2 Ų | 162.2 | 112.2 Ų | 112.2 | 71% | 0.711 | 57% | 0.569 | S | S | * | * | trans | -107.3 | 27 | -178.9 | -102.6 | -84.6 | 0 | 0 | 0 | 115 | Q2835 E2840 I2859 L2860 F2863 | Q2835-F2838 PolarHBondContact O-N 3.37Å; F2838-E2840 PolarHBondContact O-N 3.22Å; F2838-I2859 HydrophobicContact CE2-CG2 3.73Å; F2838-L2860 HydrophobicContact CZ-CG 4.26Å; F2838-F2863 HydrophobicContact CB-CZ 4.11Å; F2838-F2863 HydrophobicContact CD2-CD2 4.09Å; F2838-F2863 HydrophobicContact CD2-CE1 4.4Å; F2838-F2863 AromaticContact CD2-CE2 3.31Å; F2838-F2863 HydrophobicContact CD2-CE2 3.31Å; F2838-F2863 AromaticContact CD2-CZ 3.5Å; F2838-F2863 HydrophobicContact CD2-CZ 3.5Å; F2838-F2863 AromaticContact CE2-CD2 3.79Å; F2838-F2863 HydrophobicContact CE2-CD2 3.79Å; F2838-F2863 AromaticContact CE2-CE2 3.44Å; F2838-F2863 HydrophobicContact CE2-CE2 3.44Å; F2838-F2863 VanDerWaalsContact CE2-CE2 3.44Å; F2838-F2863 HydrophobicContact CE2-CZ 4.08Å; F2838-F2863 HydrophobicContact CG-CE1 4.38Å; F2838-F2863 HydrophobicContact CG-CE2 4.07Å; F2838-F2863 AromaticContact CG-CZ 3.83Å; F2838-F2863 HydrophobicContact CG-CZ 3.83Å; F2838-F2863 HydrophobicContact CZ-CD2 4.23Å; F2838-F2863 HydrophobicContact CZ-CE2 4.25Å | ||
| 2839 | L | 28.8 | Very low | 35.8 | Very low | 142.2 Ų | 142.2 | 114.3 Ų | 114.3 | 75% | 0.745 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -78 | 115.5 | 173.1 | -96.1 | 118.5 | 0 | 0 | 0 | 111.8 | N2837 K2841 | N2837-L2839 HydrophobicContact CB-CD1 3.97Å; L2839-K2841 PolarHBondContact O-N 2.89Å |
| 2840 | E | 27.7 | Very low | 35 | Very low | 180 Ų | 180 | 115 Ų | 115 | 84% | 0.841 | 59% | 0.59 | S | S | * | * | trans | 11.1 | 82.9 | 160.2 | -65.7 | -170.3 | 136 | 0 | 0 | 116.4 | F2838 T2842 | F2838-E2840 PolarHBondContact O-N 3.22Å; E2840-T2842 PolarHBondContact O-N 2.96Å | ||
| 2841 | K | 27.5 | Very low | 34.5 | Very low | 186 Ų | 186 | 122 Ų | 122 | 81% | 0.809 | 62% | 0.622 | S | S | * | * | trans | -126.5 | 123.7 | 149.5 | -92.3 | -180 | -179.3 | 175.9 | 0 | 110.7 | L2839 I2843 | L2839-K2841 PolarHBondContact O-N 2.89Å; K2841-I2843 VanDerWaalsContact O-CG1 3.28Å; K2841-I2843 WeakPolarHBondContact O-CG1 3.41Å; K2841-I2843 PolarHBondContact O-N 3.07Å; K2841-I2843 VanDerWaalsContact O-N 3.12Å | ||
| 2842 | T | 26.7 | Very low | 33.8 | Very low | 147.8 Ų | 147.8 | 125.4 Ų | 125.4 | 91% | 0.907 | 64% | 0.638 | S | S | * | * | trans | -57.5 | 101.7 | 171.4 | 31.3 | 0 | 0 | 0 | 0 | 110.1 | E2840 N2844 | E2840-T2842 PolarHBondContact O-N 2.96Å; T2842-N2844 PolarHBondContact O-N 2.94Å; T2842-N2844 VanDerWaalsContact O-N 3.09Å | ||
| 2843 | I | 27.7 | Very low | 33.2 | Very low | 114.8 Ų | 114.8 | 125 Ų | 125 | 59% | 0.589 | 64% | 0.64 | S | S | * | * | trans | -82.5 | 120.8 | 176 | -59.1 | 176.5 | 0 | 0 | 0 | 107.7 | K2185 K2841 T2845 E2847 I2848 | K2185-I2843 PolarHBondContact NZ-O 3.12Å; K2841-I2843 VanDerWaalsContact O-CG1 3.28Å; K2841-I2843 WeakPolarHBondContact O-CG1 3.41Å; K2841-I2843 PolarHBondContact O-N 3.07Å; K2841-I2843 VanDerWaalsContact O-N 3.12Å; I2843-T2845 PolarHBondContact O-N 3.15Å; I2843-T2845 VanDerWaalsContact O-N 3.15Å; I2843-E2847 HydrophobicContact CG2-CB 4.12Å; I2843-E2847 WeakPolarHBondContact CG2-OE2 3.33Å; I2843-I2848 HydrophobicContact CB-CD1 4.07Å; I2843-I2848 HydrophobicContact CG2-CD1 3.94Å; I2843-I2848 VanDerWaalsContact CG2-CD1 3.45Å; I2843-I2848 HydrophobicContact CG2-CG1 3.87Å; I2843-I2848 VanDerWaalsContact CG2-CG1 3.4Å | ||
| 2844 | N | 27.4 | Very low | 32.8 | Very low | 100.8 Ų | 100.8 | 127.8 Ų | 127.8 | 54% | 0.539 | 66% | 0.659 | S | S | . | * | trans | -67.6 | 122.6 | 177.8 | -145.1 | -5.8 | 0 | 0 | 0 | 109.3 | T2842 S2846 E2847 | T2842-N2844 PolarHBondContact O-N 2.94Å; T2842-N2844 VanDerWaalsContact O-N 3.09Å; N2844-S2846 VanDerWaalsContact CG-OG 3.25Å; N2844-S2846 PolarHBondContact ND2-OG 3.16Å; N2844-S2846 PolarHBondContact O-N 3.09Å; N2844-S2846 PolarHBondContact OD1-OG 3.19Å; N2844-E2847 HydrophobicContact CB-CB 4.3Å; N2844-E2847 HydrophobicContact CB-CG 4.1Å; N2844-E2847 VanDerWaalsContact CB-OE2 3.25Å; N2844-E2847 WeakPolarHBondContact CB-OE2 3.44Å; N2844-E2847 PolarHBondContact N-OE2 3.16Å; N2844-E2847 WeakPolarHBondContact O-CB 3.39Å; N2844-E2847 PolarHBondContact O-N 3.07Å; N2844-E2847 VanDerWaalsContact O-N 3.12Å | ||
| 2845 | T | 30.9 | Very low | 32.3 | Very low | 102.8 Ų | 102.8 | 126.6 Ų | 126.6 | 63% | 0.631 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -63.3 | -17.9 | -175.2 | 36 | 0 | 0 | 0 | 0 | 113.3 | K2185 I2843 E2847 I2848 L2849 | K2185-T2845 HydrophobicContact CD-CG2 4.05Å; K2185-T2845 WeakPolarHBondContact CD-OG1 3.17Å; K2185-T2845 VanDerWaalsContact CE-OG1 3.26Å; K2185-T2845 WeakPolarHBondContact CE-OG1 3.42Å; K2185-T2845 PolarHBondContact NZ-OG1 3.29Å; I2843-T2845 PolarHBondContact O-N 3.15Å; I2843-T2845 VanDerWaalsContact O-N 3.15Å; T2845-E2847 VanDerWaalsContact C-N 3.3Å; T2845-E2847 PolarHBondContact O-N 2.86Å; T2845-I2848 HydrophobicContact CG2-CD1 4.26Å; T2845-I2848 WeakPolarHBondContact O-CB 3.45Å; T2845-I2848 PolarHBondContact O-N 3.39Å; T2845-L2849 WeakPolarHBondContact O-CD1 3.17Å; T2845-L2849 WeakPolarHBondContact O-CG 3.24Å |
| 2846 | S | 32.9 | Very low | 31.9 | Very low | 76.6 Ų | 76.6 | 127 Ų | 127 | 54% | 0.536 | 66% | 0.66 | S | S | . | * | G | 310 helix | trans | -68.4 | -24.9 | 172.9 | 51.5 | 0 | 0 | 0 | 0 | 114.4 | N2844 I2848 L2849 | N2844-S2846 VanDerWaalsContact CG-OG 3.25Å; N2844-S2846 PolarHBondContact ND2-OG 3.16Å; N2844-S2846 PolarHBondContact O-N 3.09Å; N2844-S2846 PolarHBondContact OD1-OG 3.19Å; S2846-I2848 VanDerWaalsContact C-N 3.27Å; S2846-I2848 PolarHBondContact O-N 3.41Å; S2846-L2849 PolarHBondContact O-N 3.06Å |
| 2847 | E | 32.3 | Very low | 31.9 | Very low | 142.2 Ų | 142.2 | 128.8 Ų | 128.8 | 66% | 0.664 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -82.4 | -10.7 | 178.8 | -69.9 | -176.6 | 156 | 0 | 0 | 112.9 | I2843 N2844 T2845 L2849 S2850 | I2843-E2847 HydrophobicContact CG2-CB 4.12Å; I2843-E2847 WeakPolarHBondContact CG2-OE2 3.33Å; N2844-E2847 HydrophobicContact CB-CB 4.3Å; N2844-E2847 HydrophobicContact CB-CG 4.1Å; N2844-E2847 VanDerWaalsContact CB-OE2 3.25Å; N2844-E2847 WeakPolarHBondContact CB-OE2 3.44Å; N2844-E2847 PolarHBondContact N-OE2 3.16Å; N2844-E2847 WeakPolarHBondContact O-CB 3.39Å; N2844-E2847 PolarHBondContact O-N 3.07Å; N2844-E2847 VanDerWaalsContact O-N 3.12Å; T2845-E2847 VanDerWaalsContact C-N 3.3Å; T2845-E2847 PolarHBondContact O-N 2.86Å; E2847-L2849 VanDerWaalsContact C-N 3.29Å; E2847-L2849 PolarHBondContact O-N 3.19Å; E2847-S2850 PolarHBondContact O-N 2.68Å; E2847-S2850 PolarHBondContact O-OG 3Å |
| 2848 | I | 33.5 | Very low | 31.9 | Very low | 107.6 Ų | 107.6 | 129.2 Ų | 129.2 | 55% | 0.552 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -82.4 | -7.9 | 178.2 | -53.2 | 179.4 | 0 | 0 | 0 | 111.5 | I2843 T2845 S2846 | I2843-I2848 HydrophobicContact CB-CD1 4.07Å; I2843-I2848 HydrophobicContact CG2-CD1 3.94Å; I2843-I2848 VanDerWaalsContact CG2-CD1 3.45Å; I2843-I2848 HydrophobicContact CG2-CG1 3.87Å; I2843-I2848 VanDerWaalsContact CG2-CG1 3.4Å; T2845-I2848 HydrophobicContact CG2-CD1 4.26Å; T2845-I2848 WeakPolarHBondContact O-CB 3.45Å; T2845-I2848 PolarHBondContact O-N 3.39Å; S2846-I2848 VanDerWaalsContact C-N 3.27Å; S2846-I2848 PolarHBondContact O-N 3.41Å |
| 2849 | L | 31.1 | Very low | 32.1 | Very low | 139.4 Ų | 139.4 | 124.8 Ų | 124.8 | 73% | 0.73 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 13.2 | 177.5 | -72.2 | 167.3 | 0 | 0 | 0 | 113.6 | L2305 T2845 S2846 E2847 Q2851 | L2305-L2849 HydrophobicContact CB-CD2 4.49Å; L2305-L2849 HydrophobicContact CD1-CB 4.18Å; L2305-L2849 HydrophobicContact CD1-CD1 4.4Å; T2845-L2849 WeakPolarHBondContact O-CD1 3.17Å; T2845-L2849 WeakPolarHBondContact O-CG 3.24Å; S2846-L2849 PolarHBondContact O-N 3.06Å; E2847-L2849 VanDerWaalsContact C-N 3.29Å; E2847-L2849 PolarHBondContact O-N 3.19Å; L2849-Q2851 PolarHBondContact O-N 3.46Å |
| 2850 | S | 32.2 | Very low | 32.4 | Very low | 76.2 Ų | 76.2 | 123.5 Ų | 123.5 | 53% | 0.533 | 64% | 0.635 | S | S | . | * | trans | -70.5 | 129.8 | 175.5 | 67.9 | 0 | 0 | 0 | 0 | 112.9 | E2847 D2852 | E2847-S2850 PolarHBondContact O-N 2.68Å; E2847-S2850 PolarHBondContact O-OG 3Å; S2850-D2852 VanDerWaalsContact C-N 3.25Å; S2850-D2852 PolarHBondContact O-N 3.35Å | ||
| 2851 | Q | 33.3 | Very low | 32.8 | Very low | 187.6 Ų | 187.6 | 120.4 Ų | 120.4 | 88% | 0.877 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -1.5 | -171.7 | -72.5 | -178.2 | -34.4 | 0 | 0 | 116.6 | L2849 N2853 | L2849-Q2851 PolarHBondContact O-N 3.46Å; Q2851-N2853 PolarHBondContact O-N 3.46Å |
| 2852 | D | 32.6 | Very low | 33 | Very low | 142.2 Ų | 142.2 | 115.6 Ų | 115.6 | 76% | 0.76 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 37.7 | -173.1 | -71 | -48.3 | 0 | 0 | 0 | 115.4 | S2850 T2854 | S2850-D2852 VanDerWaalsContact C-N 3.25Å; S2850-D2852 PolarHBondContact O-N 3.35Å; D2852-T2854 VanDerWaalsContact C-N 3.28Å; D2852-T2854 PolarHBondContact O-N 2.86Å |
| 2853 | N | 34.8 | Very low | 33.2 | Very low | 95.4 Ų | 95.4 | 113.8 Ų | 113.8 | 51% | 0.51 | 58% | 0.583 | S | S | . | * | trans | -120.7 | 68.3 | 174.6 | -96.8 | -55.6 | 0 | 0 | 0 | 114.2 | Q2851 I2855 K2856 K2857 | Q2851-N2853 PolarHBondContact O-N 3.46Å; N2853-I2855 HydrophobicContact CB-CB 4.38Å; N2853-I2855 PolarHBondContact O-N 2.97Å; N2853-I2855 VanDerWaalsContact O-N 3.11Å; N2853-I2855 WeakPolarHBondContact OD1-CD1 3.31Å; N2853-I2855 VanDerWaalsContact OD1-CG1 3.22Å; N2853-I2855 WeakPolarHBondContact OD1-CG1 3.37Å; N2853-K2856 HydrophobicContact CB-CB 4.36Å; N2853-K2856 PolarHBondContact O-N 3.11Å; N2853-K2856 VanDerWaalsContact O-N 3.11Å; N2853-K2857 PolarHBondContact O-N 2.96Å | ||
| 2854 | T | 35.5 | Very low | 33.3 | Very low | 101 Ų | 101 | 115.5 Ų | 115.5 | 62% | 0.62 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -52.7 | -28.5 | 171 | 46.4 | 0 | 0 | 0 | 0 | 113.8 | I2799 D2852 K2856 K2857 K2858 | I2799-T2854 WeakPolarHBondContact CD1-OG1 3.04Å; D2852-T2854 VanDerWaalsContact C-N 3.28Å; D2852-T2854 PolarHBondContact O-N 2.86Å; T2854-K2856 PolarHBondContact O-N 3.15Å; T2854-K2857 PolarHBondContact O-N 3.07Å; T2854-K2857 VanDerWaalsContact O-N 3.1Å; T2854-K2858 PolarHBondContact O-N 3.17Å; T2854-K2858 VanDerWaalsContact O-N 3.12Å |
| 2855 | I | 33.3 | Very low | 33.4 | Very low | 90.8 Ų | 90.8 | 118.6 Ų | 118.6 | 47% | 0.466 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.6 | -38.5 | 175.8 | -61.6 | 176.4 | 0 | 0 | 0 | 111.5 | I2795 N2798 I2799 N2853 K2857 K2858 I2859 | I2795-I2855 HydrophobicContact CG2-CD1 4.09Å; N2798-I2855 HydrophobicContact CB-CD1 4.32Å; I2799-I2855 HydrophobicContact CD1-CG1 4.43Å; I2799-I2855 HydrophobicContact CG1-CD1 4.2Å; I2799-I2855 HydrophobicContact CG1-CG1 3.88Å; N2853-I2855 HydrophobicContact CB-CB 4.38Å; N2853-I2855 PolarHBondContact O-N 2.97Å; N2853-I2855 VanDerWaalsContact O-N 3.11Å; N2853-I2855 WeakPolarHBondContact OD1-CD1 3.31Å; N2853-I2855 VanDerWaalsContact OD1-CG1 3.22Å; N2853-I2855 WeakPolarHBondContact OD1-CG1 3.37Å; I2855-K2857 VanDerWaalsContact C-N 3.33Å; I2855-K2857 PolarHBondContact O-N 3.08Å; I2855-K2858 PolarHBondContact O-N 3.06Å; I2855-I2859 HydrophobicContact CG2-CD1 3.71Å; I2855-I2859 HydrophobicContact CG2-CG1 4.22Å; I2855-I2859 VanDerWaalsContact O-CB 3.28Å; I2855-I2859 WeakPolarHBondContact O-CB 3.43Å; I2855-I2859 VanDerWaalsContact O-CG1 3.24Å; I2855-I2859 WeakPolarHBondContact O-CG1 3.38Å; I2855-I2859 PolarHBondContact O-N 3Å |
| 2856 | K | 35.2 | Very low | 33.3 | Very low | 138.2 Ų | 138.2 | 121.4 Ų | 121.4 | 60% | 0.601 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.1 | -32.4 | 178.3 | -113.4 | -179.2 | 179.6 | -179.7 | 0 | 112.6 | N2853 T2854 K2858 I2859 L2860 | N2853-K2856 HydrophobicContact CB-CB 4.36Å; N2853-K2856 PolarHBondContact O-N 3.11Å; N2853-K2856 VanDerWaalsContact O-N 3.11Å; T2854-K2856 PolarHBondContact O-N 3.15Å; K2856-K2858 VanDerWaalsContact C-N 3.31Å; K2856-K2858 PolarHBondContact O-N 3.39Å; K2856-I2859 PolarHBondContact O-N 2.84Å; K2856-L2860 PolarHBondContact O-N 3.07Å; K2856-L2860 VanDerWaalsContact O-N 3.11Å |
| 2857 | K | 39.6 | Very low | 33.1 | Very low | 155.4 Ų | 155.4 | 123.2 Ų | 123.2 | 68% | 0.676 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.3 | -46.3 | 171.2 | -96.6 | -173.2 | 174.2 | -176.4 | 0 | 111.5 | N2853 T2854 I2855 I2859 L2860 Q2861 | N2853-K2857 PolarHBondContact O-N 2.96Å; T2854-K2857 PolarHBondContact O-N 3.07Å; T2854-K2857 VanDerWaalsContact O-N 3.1Å; I2855-K2857 VanDerWaalsContact C-N 3.33Å; I2855-K2857 PolarHBondContact O-N 3.08Å; K2857-I2859 VanDerWaalsContact C-N 3.32Å; K2857-I2859 PolarHBondContact O-N 2.88Å; K2857-L2860 WeakPolarHBondContact O-CB 3.08Å; K2857-L2860 PolarHBondContact O-N 3.25Å; K2857-Q2861 WeakPolarHBondContact O-CG 3.33Å; K2857-Q2861 PolarHBondContact O-N 3.07Å; K2857-Q2861 VanDerWaalsContact O-N 3.15Å |
| 2858 | K | 35.9 | Very low | 33 | Very low | 124.6 Ų | 124.6 | 120.3 Ų | 120.3 | 54% | 0.542 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.6 | -35.5 | 177 | -81.6 | -167 | 171.1 | -170.9 | 0 | 113.3 | E2551 T2854 I2855 K2856 L2860 Q2861 N2862 | E2551-K2858 IonicContact OE1-NZ 2.65Å; E2551-K2858 PolarHBondContact OE1-NZ 2.65Å; E2551-K2858 IonicContact OE2-NZ 3.65Å; T2854-K2858 PolarHBondContact O-N 3.17Å; T2854-K2858 VanDerWaalsContact O-N 3.12Å; I2855-K2858 PolarHBondContact O-N 3.06Å; K2856-K2858 VanDerWaalsContact C-N 3.31Å; K2856-K2858 PolarHBondContact O-N 3.39Å; K2858-L2860 VanDerWaalsContact C-N 3.33Å; K2858-L2860 PolarHBondContact O-N 2.92Å; K2858-Q2861 PolarHBondContact O-N 3.18Å; K2858-N2862 WeakPolarHBondContact O-CB 3.22Å; K2858-N2862 PolarHBondContact O-N 3.09Å; K2858-N2862 PolarHBondContact O-ND2 3.36Å; K2858-N2862 PolarHBondContact O-OD1 2.93Å |
| 2859 | I | 35 | Very low | 32.7 | Very low | 69.2 Ų | 69.2 | 123.3 Ų | 123.3 | 36% | 0.355 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.7 | -39 | 175.4 | -69.5 | 171.9 | 0 | 0 | 0 | 111.1 | F2838 I2855 K2856 K2857 Q2861 N2862 F2863 | F2838-I2859 HydrophobicContact CE2-CG2 3.73Å; I2855-I2859 HydrophobicContact CG2-CD1 3.71Å; I2855-I2859 HydrophobicContact CG2-CG1 4.22Å; I2855-I2859 VanDerWaalsContact O-CB 3.28Å; I2855-I2859 WeakPolarHBondContact O-CB 3.43Å; I2855-I2859 VanDerWaalsContact O-CG1 3.24Å; I2855-I2859 WeakPolarHBondContact O-CG1 3.38Å; I2855-I2859 PolarHBondContact O-N 3Å; K2856-I2859 PolarHBondContact O-N 2.84Å; K2857-I2859 VanDerWaalsContact C-N 3.32Å; K2857-I2859 PolarHBondContact O-N 2.88Å; I2859-Q2861 PolarHBondContact O-N 3.15Å; I2859-N2862 PolarHBondContact O-N 3.25Å; I2859-N2862 VanDerWaalsContact O-N 3.14Å; I2859-F2863 HydrophobicContact CG2-CD2 3.99Å; I2859-F2863 HydrophobicContact CG2-CE2 3.99Å; I2859-F2863 WeakPolarHBondContact O-CD2 3.44Å; I2859-F2863 PolarHBondContact O-N 3.33Å; I2859-F2863 VanDerWaalsContact O-N 3.09Å |
| 2860 | L | 35.4 | Very low | 32.7 | Very low | 114 Ų | 114 | 121.5 Ų | 121.5 | 60% | 0.597 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.7 | -45.2 | 174.2 | -98.1 | 147.9 | 0 | 0 | 0 | 112.3 | F2838 K2856 K2857 K2858 N2862 F2863 E2864 | F2838-L2860 HydrophobicContact CZ-CG 4.26Å; K2856-L2860 PolarHBondContact O-N 3.07Å; K2856-L2860 VanDerWaalsContact O-N 3.11Å; K2857-L2860 WeakPolarHBondContact O-CB 3.08Å; K2857-L2860 PolarHBondContact O-N 3.25Å; K2858-L2860 VanDerWaalsContact C-N 3.33Å; K2858-L2860 PolarHBondContact O-N 2.92Å; L2860-N2862 VanDerWaalsContact C-N 3.3Å; L2860-N2862 PolarHBondContact O-N 2.93Å; L2860-F2863 WeakPolarHBondContact O-CB 3.45Å; L2860-F2863 PolarHBondContact O-N 2.99Å; L2860-F2863 VanDerWaalsContact O-N 3.14Å; L2860-E2864 PolarHBondContact O-N 3Å |
| 2861 | Q | 36.3 | Very low | 32.7 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 54% | 0.542 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.7 | -31.3 | 177.2 | -72.8 | 177.9 | -47.3 | 0 | 0 | 113.1 | K2857 K2858 I2859 F2863 E2864 F2865 | K2857-Q2861 WeakPolarHBondContact O-CG 3.33Å; K2857-Q2861 PolarHBondContact O-N 3.07Å; K2857-Q2861 VanDerWaalsContact O-N 3.15Å; K2858-Q2861 PolarHBondContact O-N 3.18Å; I2859-Q2861 PolarHBondContact O-N 3.15Å; Q2861-F2863 VanDerWaalsContact C-N 3.31Å; Q2861-F2863 PolarHBondContact O-N 3.33Å; Q2861-E2864 PolarHBondContact O-N 3.36Å; Q2861-F2865 PolarHBondContact O-N 3.49Å |
| 2862 | N | 31.9 | Very low | 32.6 | Very low | 85.2 Ų | 85.2 | 117.1 Ų | 117.1 | 46% | 0.456 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -79.5 | -16.6 | 175.4 | -76 | -12 | 0 | 0 | 0 | 113.3 | R2834 K2858 I2859 L2860 F2865 Y2866 | R2834-N2862 PolarHBondContact NH1-ND2 3.12Å; R2834-N2862 PolarHBondContact NH1-OD1 2.83Å; R2834-N2862 PolarHBondContact NH2-ND2 3.42Å; K2858-N2862 WeakPolarHBondContact O-CB 3.22Å; K2858-N2862 PolarHBondContact O-N 3.09Å; K2858-N2862 PolarHBondContact O-ND2 3.36Å; K2858-N2862 PolarHBondContact O-OD1 2.93Å; I2859-N2862 PolarHBondContact O-N 3.25Å; I2859-N2862 VanDerWaalsContact O-N 3.14Å; L2860-N2862 VanDerWaalsContact C-N 3.3Å; L2860-N2862 PolarHBondContact O-N 2.93Å; N2862-F2865 PolarHBondContact O-N 3.16Å; N2862-Y2866 WeakPolarHBondContact O-CD2 3.33Å; N2862-Y2866 WeakPolarHBondContact O-CE2 3.28Å |
| 2863 | F | 29.7 | Very low | 32.5 | Very low | 108.8 Ų | 108.8 | 118.5 Ų | 118.5 | 48% | 0.477 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -79.6 | -26.3 | 176.1 | -101.1 | -83.5 | 0 | 0 | 0 | 113.3 | R2834 F2838 I2859 L2860 Q2861 F2865 Y2866 T2867 | R2834-F2863 HydrophobicContact CB-CE2 4.49Å; R2834-F2863 VanDerWaalsContact NH1-CE1 3.33Å; R2834-F2863 VanDerWaalsContact NH1-CZ 3.28Å; F2838-F2863 HydrophobicContact CB-CZ 4.11Å; F2838-F2863 HydrophobicContact CD2-CD2 4.09Å; F2838-F2863 HydrophobicContact CD2-CE1 4.4Å; F2838-F2863 AromaticContact CD2-CE2 3.31Å; F2838-F2863 HydrophobicContact CD2-CE2 3.31Å; F2838-F2863 AromaticContact CD2-CZ 3.5Å; F2838-F2863 HydrophobicContact CD2-CZ 3.5Å; F2838-F2863 AromaticContact CE2-CD2 3.79Å; F2838-F2863 HydrophobicContact CE2-CD2 3.79Å; F2838-F2863 AromaticContact CE2-CE2 3.44Å; F2838-F2863 HydrophobicContact CE2-CE2 3.44Å; F2838-F2863 VanDerWaalsContact CE2-CE2 3.44Å; F2838-F2863 HydrophobicContact CE2-CZ 4.08Å; F2838-F2863 HydrophobicContact CG-CE1 4.38Å; F2838-F2863 HydrophobicContact CG-CE2 4.07Å; F2838-F2863 AromaticContact CG-CZ 3.83Å; F2838-F2863 HydrophobicContact CG-CZ 3.83Å; F2838-F2863 HydrophobicContact CZ-CD2 4.23Å; F2838-F2863 HydrophobicContact CZ-CE2 4.25Å; I2859-F2863 HydrophobicContact CG2-CD2 3.99Å; I2859-F2863 HydrophobicContact CG2-CE2 3.99Å; I2859-F2863 WeakPolarHBondContact O-CD2 3.44Å; I2859-F2863 PolarHBondContact O-N 3.33Å; I2859-F2863 VanDerWaalsContact O-N 3.09Å; L2860-F2863 WeakPolarHBondContact O-CB 3.45Å; L2860-F2863 PolarHBondContact O-N 2.99Å; L2860-F2863 VanDerWaalsContact O-N 3.14Å; Q2861-F2863 VanDerWaalsContact C-N 3.31Å; Q2861-F2863 PolarHBondContact O-N 3.33Å; F2863-F2865 PolarHBondContact O-N 3.25Å; F2863-F2865 VanDerWaalsContact O-N 3.14Å; F2863-Y2866 PolarHBondContact O-N 3.02Å; F2863-T2867 PolarHBondContact O-N 2.98Å |
| 2864 | E | 31 | Very low | 32.4 | Very low | 150.6 Ų | 150.6 | 116.7 Ų | 116.7 | 70% | 0.704 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -15.7 | 174.2 | -70.5 | 179.5 | 143.2 | 0 | 0 | 112.9 | L2860 Q2861 T2867 | L2860-E2864 PolarHBondContact O-N 3Å; Q2861-E2864 PolarHBondContact O-N 3.36Å; E2864-T2867 PolarHBondContact O-OG1 3.33Å |
| 2865 | F | 29.7 | Very low | 32.2 | Very low | 167 Ų | 167 | 116.7 Ų | 116.7 | 73% | 0.732 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -9 | 179.1 | -112.9 | -85 | 0 | 0 | 0 | 115 | Q2861 N2862 F2863 S2868 | Q2861-F2865 PolarHBondContact O-N 3.49Å; N2862-F2865 PolarHBondContact O-N 3.16Å; F2863-F2865 PolarHBondContact O-N 3.25Å; F2863-F2865 VanDerWaalsContact O-N 3.14Å; F2865-S2868 PolarHBondContact O-OG 3.2Å; F2865-S2868 VanDerWaalsContact O-OG 3.06Å |
| 2866 | Y | 27.5 | Very low | 32.2 | Very low | 162.4 Ų | 162.4 | 118.3 Ų | 118.3 | 64% | 0.637 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -108.5 | 11 | -176.4 | -85 | -77.6 | 0 | 0 | 0 | 114.9 | N2827 N2862 F2863 S2868 T2870 | N2827-Y2866 PolarHBondContact ND2-OH 2.71Å; N2827-Y2866 PolarHBondContact OD1-OH 3.07Å; N2862-Y2866 WeakPolarHBondContact O-CD2 3.33Å; N2862-Y2866 WeakPolarHBondContact O-CE2 3.28Å; F2863-Y2866 PolarHBondContact O-N 3.02Å; Y2866-S2868 VanDerWaalsContact C-N 3.35Å; Y2866-T2870 PolarHBondContact O-OG1 3.3Å |
| 2867 | T | 30.1 | Very low | 32.1 | Very low | 113 Ų | 113 | 115.5 Ų | 115.5 | 69% | 0.693 | 59% | 0.588 | S | S | * | * | trans | -101.1 | 23.1 | 173.9 | 44.6 | 0 | 0 | 0 | 0 | 113.4 | F2863 E2864 T2870 | F2863-T2867 PolarHBondContact O-N 2.98Å; E2864-T2867 PolarHBondContact O-OG1 3.33Å; T2867-T2870 PolarHBondContact O-OG1 3.2Å | ||
| 2868 | S | 30.1 | Very low | 31.8 | Very low | 81.2 Ų | 81.2 | 111.7 Ų | 111.7 | 57% | 0.568 | 58% | 0.575 | S | S | * | * | trans | -101.9 | 33.4 | 178.2 | 52.6 | 0 | 0 | 0 | 0 | 113.4 | F2865 Y2866 | F2865-S2868 PolarHBondContact O-OG 3.2Å; F2865-S2868 VanDerWaalsContact O-OG 3.06Å; Y2866-S2868 VanDerWaalsContact C-N 3.35Å | ||
| 2869 | E | 27.5 | Very low | 31.8 | Very low | 171 Ų | 171 | 108.9 Ų | 108.9 | 80% | 0.799 | 57% | 0.566 | S | S | * | * | trans | -125.2 | 57.6 | 176.4 | -72.6 | -174.7 | 154.6 | 0 | 0 | 112.6 | D2871 G2872 | E2869-D2871 PolarHBondContact O-N 2.88Å; E2869-G2872 PolarHBondContact O-N 2.82Å | ||
| 2870 | T | 31 | Very low | 31.9 | Very low | 101.8 Ų | 101.8 | 107.3 Ų | 107.3 | 63% | 0.625 | 57% | 0.567 | S | S | * | * | trans | -77.7 | 76 | 180 | 56 | 0 | 0 | 0 | 0 | 114.8 | Y2866 T2867 G2872 T2874 Q2875 | Y2866-T2870 PolarHBondContact O-OG1 3.3Å; T2867-T2870 PolarHBondContact O-OG1 3.2Å; T2870-G2872 VanDerWaalsContact C-N 3.26Å; T2870-G2872 PolarHBondContact O-N 3.11Å; T2870-T2874 VanDerWaalsContact O-CB 3.31Å; T2870-T2874 WeakPolarHBondContact O-CB 3Å; T2870-T2874 WeakPolarHBondContact O-CG2 3.31Å; T2870-T2874 PolarHBondContact O-N 2.69Å; T2870-T2874 PolarHBondContact O-OG1 3.45Å; T2870-T2874 VanDerWaalsContact O-OG1 3.06Å; T2870-Q2875 PolarHBondContact O-OE1 2.67Å | ||
| 2871 | D | 30.8 | Very low | 31.8 | Very low | 118.4 Ų | 118.4 | 104.4 Ų | 104.4 | 63% | 0.633 | 55% | 0.554 | S | S | * | * | trans | -90.1 | 68.2 | 145.4 | -75.6 | -23.9 | 0 | 0 | 0 | 113.4 | E2869 E2873 T2874 Q2875 | E2869-D2871 PolarHBondContact O-N 2.88Å; D2871-E2873 PolarHBondContact O-N 3.02Å; D2871-E2873 VanDerWaalsContact O-N 3.15Å; D2871-T2874 WeakPolarHBondContact CA-OG1 3.46Å; D2871-T2874 WeakPolarHBondContact CB-OG1 3.48Å; D2871-T2874 PolarHBondContact O-N 3.02Å; D2871-T2874 VanDerWaalsContact O-N 3.15Å; D2871-T2874 PolarHBondContact O-OG1 3.01Å; D2871-T2874 VanDerWaalsContact O-OG1 3.05Å; D2871-Q2875 WeakPolarHBondContact O-CB 3.4Å; D2871-Q2875 PolarHBondContact O-N 3.21Å; D2871-Q2875 VanDerWaalsContact O-N 3.08Å; D2871-Q2875 PolarHBondContact O-OE1 3.09Å | ||
| 2872 | G | 31 | Very low | 31.8 | Very low | 53.2 Ų | 53.2 | 100.3 Ų | 100.3 | 55% | 0.548 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -50.5 | -45.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | E2869 T2870 T2874 Q2875 D2876 | E2869-G2872 PolarHBondContact O-N 2.82Å; T2870-G2872 VanDerWaalsContact C-N 3.26Å; T2870-G2872 PolarHBondContact O-N 3.11Å; G2872-T2874 VanDerWaalsContact C-N 3.27Å; G2872-T2874 PolarHBondContact O-N 3.3Å; G2872-Q2875 CarbonylContact O-C 3.5Å; G2872-Q2875 WeakPolarHBondContact O-CB 3.32Å; G2872-Q2875 PolarHBondContact O-N 2.75Å; G2872-Q2875 VanDerWaalsContact O-N 3.13Å; G2872-D2876 VanDerWaalsContact O-CB 3.27Å; G2872-D2876 WeakPolarHBondContact O-CB 3.37Å; G2872-D2876 PolarHBondContact O-N 3.03Å |
| 2873 | E | 30.8 | Very low | 32.2 | Very low | 171.2 Ų | 171.2 | 102.6 Ų | 102.6 | 80% | 0.8 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -83.3 | -22.7 | -173.3 | -67.2 | -173.3 | 155.1 | 0 | 0 | 113.6 | D2871 Q2875 D2876 T2877 | D2871-E2873 PolarHBondContact O-N 3.02Å; D2871-E2873 VanDerWaalsContact O-N 3.15Å; E2873-Q2875 VanDerWaalsContact C-N 3.35Å; E2873-Q2875 PolarHBondContact O-N 3.35Å; E2873-D2876 PolarHBondContact O-N 3.15Å; E2873-T2877 PolarHBondContact O-N 3.1Å; E2873-T2877 PolarHBondContact O-OG1 3.27Å |
| 2874 | T | 32.1 | Very low | 32.6 | Very low | 57.6 Ų | 57.6 | 100.5 Ų | 100.5 | 35% | 0.353 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -78.2 | -29.2 | 170.7 | 42.7 | 0 | 0 | 0 | 0 | 111.8 | T2870 D2871 G2872 D2876 T2877 L2878 T3002 | T2870-T2874 VanDerWaalsContact O-CB 3.31Å; T2870-T2874 WeakPolarHBondContact O-CB 3Å; T2870-T2874 WeakPolarHBondContact O-CG2 3.31Å; T2870-T2874 PolarHBondContact O-N 2.69Å; T2870-T2874 PolarHBondContact O-OG1 3.45Å; T2870-T2874 VanDerWaalsContact O-OG1 3.06Å; D2871-T2874 WeakPolarHBondContact CA-OG1 3.46Å; D2871-T2874 WeakPolarHBondContact CB-OG1 3.48Å; D2871-T2874 PolarHBondContact O-N 3.02Å; D2871-T2874 VanDerWaalsContact O-N 3.15Å; D2871-T2874 PolarHBondContact O-OG1 3.01Å; D2871-T2874 VanDerWaalsContact O-OG1 3.05Å; G2872-T2874 VanDerWaalsContact C-N 3.27Å; G2872-T2874 PolarHBondContact O-N 3.3Å; T2874-D2876 PolarHBondContact O-N 3.07Å; T2874-T2877 WeakPolarHBondContact CA-OG1 3.33Å; T2874-T2877 PolarHBondContact O-N 3.35Å; T2874-T2877 PolarHBondContact O-OG1 3.25Å; T2874-T2877 VanDerWaalsContact O-OG1 3.08Å; T2874-L2878 WeakPolarHBondContact O-CA 3.43Å; T2874-L2878 VanDerWaalsContact O-CB 3.3Å; T2874-L2878 WeakPolarHBondContact O-CB 3.33Å; T2874-L2878 WeakPolarHBondContact O-CD1 3.39Å; T2874-L2878 WeakPolarHBondContact O-CG 3.19Å; T2874-L2878 PolarHBondContact O-N 3.23Å; T2874-T3002 HydrophobicContact CG2-CG2 3.86Å |
| 2875 | Q | 32.4 | Very low | 32.8 | Very low | 100.8 Ų | 100.8 | 95.1 Ų | 95.1 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 178 | -147.2 | 87.6 | 15.4 | 0 | 0 | 112.1 | T2870 D2871 G2872 E2873 T2877 L2878 D2879 | T2870-Q2875 PolarHBondContact O-OE1 2.67Å; D2871-Q2875 WeakPolarHBondContact O-CB 3.4Å; D2871-Q2875 PolarHBondContact O-N 3.21Å; D2871-Q2875 VanDerWaalsContact O-N 3.08Å; D2871-Q2875 PolarHBondContact O-OE1 3.09Å; G2872-Q2875 CarbonylContact O-C 3.5Å; G2872-Q2875 WeakPolarHBondContact O-CB 3.32Å; G2872-Q2875 PolarHBondContact O-N 2.75Å; G2872-Q2875 VanDerWaalsContact O-N 3.13Å; E2873-Q2875 VanDerWaalsContact C-N 3.35Å; E2873-Q2875 PolarHBondContact O-N 3.35Å; Q2875-T2877 VanDerWaalsContact C-N 3.3Å; Q2875-T2877 PolarHBondContact O-N 3.1Å; Q2875-L2878 CarbonylContact O-C 3.56Å; Q2875-L2878 VanDerWaalsContact O-CA 3.25Å; Q2875-L2878 WeakPolarHBondContact O-CA 3.46Å; Q2875-L2878 WeakPolarHBondContact O-CB 3.26Å; Q2875-L2878 PolarHBondContact O-N 3.05Å; Q2875-D2879 WeakPolarHBondContact CG-OD2 3.48Å; Q2875-D2879 WeakPolarHBondContact O-CA 3.42Å; Q2875-D2879 WeakPolarHBondContact O-CB 3.41Å; Q2875-D2879 PolarHBondContact O-N 3.18Å |
| 2876 | D | 32.8 | Very low | 33.2 | Very low | 125 Ų | 125 | 90.6 Ų | 90.6 | 67% | 0.668 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.3 | -33.9 | 179.3 | -84.1 | -24.1 | 0 | 0 | 0 | 112.9 | G2872 E2873 T2874 D2879 G2880 | G2872-D2876 VanDerWaalsContact O-CB 3.27Å; G2872-D2876 WeakPolarHBondContact O-CB 3.37Å; G2872-D2876 PolarHBondContact O-N 3.03Å; E2873-D2876 PolarHBondContact O-N 3.15Å; T2874-D2876 PolarHBondContact O-N 3.07Å; D2876-D2879 PolarHBondContact O-N 2.88Å; D2876-G2880 PolarHBondContact O-N 3.07Å; D2876-G2880 VanDerWaalsContact O-N 3.11Å |
| 2877 | T | 34.2 | Very low | 33.8 | Very low | 78.4 Ų | 78.4 | 87.7 Ų | 87.7 | 48% | 0.481 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -77.2 | -33.5 | 174 | 44.6 | 0 | 0 | 0 | 0 | 112.4 | E2873 T2874 Q2875 D2879 G2880 V2881 | E2873-T2877 PolarHBondContact O-N 3.1Å; E2873-T2877 PolarHBondContact O-OG1 3.27Å; T2874-T2877 WeakPolarHBondContact CA-OG1 3.33Å; T2874-T2877 PolarHBondContact O-N 3.35Å; T2874-T2877 PolarHBondContact O-OG1 3.25Å; T2874-T2877 VanDerWaalsContact O-OG1 3.08Å; Q2875-T2877 VanDerWaalsContact C-N 3.3Å; Q2875-T2877 PolarHBondContact O-N 3.1Å; T2877-D2879 VanDerWaalsContact C-N 3.31Å; T2877-D2879 PolarHBondContact O-N 3.5Å; T2877-G2880 PolarHBondContact O-N 3.16Å; T2877-V2881 VanDerWaalsContact O-CB 3.31Å; T2877-V2881 WeakPolarHBondContact O-CB 3.14Å; T2877-V2881 VanDerWaalsContact O-CG2 3.24Å; T2877-V2881 WeakPolarHBondContact O-CG2 3.38Å; T2877-V2881 PolarHBondContact O-N 2.96Å; T2877-V2881 VanDerWaalsContact O-N 3.1Å |
| 2878 | L | 31.9 | Very low | 34.1 | Very low | 75.4 Ų | 75.4 | 84.5 Ų | 84.5 | 40% | 0.395 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.2 | -32.4 | 169.6 | -91.9 | 144 | 0 | 0 | 0 | 112.1 | T2874 Q2875 G2880 V2881 S2882 L2938 Q2998 | T2874-L2878 WeakPolarHBondContact O-CA 3.43Å; T2874-L2878 VanDerWaalsContact O-CB 3.3Å; T2874-L2878 WeakPolarHBondContact O-CB 3.33Å; T2874-L2878 WeakPolarHBondContact O-CD1 3.39Å; T2874-L2878 WeakPolarHBondContact O-CG 3.19Å; T2874-L2878 PolarHBondContact O-N 3.23Å; Q2875-L2878 CarbonylContact O-C 3.56Å; Q2875-L2878 VanDerWaalsContact O-CA 3.25Å; Q2875-L2878 WeakPolarHBondContact O-CA 3.46Å; Q2875-L2878 WeakPolarHBondContact O-CB 3.26Å; Q2875-L2878 PolarHBondContact O-N 3.05Å; L2878-G2880 VanDerWaalsContact C-N 3.3Å; L2878-G2880 PolarHBondContact O-N 3.08Å; L2878-V2881 CarbonylContact O-C 3.57Å; L2878-V2881 WeakPolarHBondContact O-CB 3.38Å; L2878-V2881 PolarHBondContact O-N 3.22Å; L2878-S2882 WeakPolarHBondContact O-CA 3.38Å; L2878-S2882 VanDerWaalsContact O-CB 3.25Å; L2878-S2882 WeakPolarHBondContact O-CB 3.3Å; L2878-S2882 PolarHBondContact O-N 3.09Å; L2878-S2882 PolarHBondContact O-OG 3.24Å; L2878-S2882 VanDerWaalsContact O-OG 3.09Å; L2878-L2938 HydrophobicContact CD2-CD1 4.29Å; L2878-L2938 HydrophobicContact CG-CD1 4.37Å; L2878-Q2998 HydrophobicContact CD2-CG 4.07Å |
| 2879 | D | 36.5 | Very low | 34.5 | Very low | 66.4 Ų | 66.4 | 83.7 Ų | 83.7 | 36% | 0.355 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -78.9 | -27.6 | 177.6 | -95.7 | 9.5 | 0 | 0 | 0 | 112.5 | Q2875 D2876 T2877 V2881 S2882 K2883 | Q2875-D2879 WeakPolarHBondContact CG-OD2 3.48Å; Q2875-D2879 WeakPolarHBondContact O-CA 3.42Å; Q2875-D2879 WeakPolarHBondContact O-CB 3.41Å; Q2875-D2879 PolarHBondContact O-N 3.18Å; D2876-D2879 PolarHBondContact O-N 2.88Å; T2877-D2879 VanDerWaalsContact C-N 3.31Å; T2877-D2879 PolarHBondContact O-N 3.5Å; D2879-V2881 PolarHBondContact O-N 3.01Å; D2879-S2882 VanDerWaalsContact CA-OG 3.27Å; D2879-S2882 WeakPolarHBondContact CA-OG 3.4Å; D2879-S2882 PolarHBondContact O-N 3.13Å; D2879-S2882 PolarHBondContact O-OG 3.09Å; D2879-S2882 VanDerWaalsContact O-OG 3.13Å; D2879-S2882 PolarHBondContact OD1-OG 3.45Å; D2879-K2883 WeakPolarHBondContact O-CB 3.45Å; D2879-K2883 VanDerWaalsContact O-CD 3.3Å; D2879-K2883 WeakPolarHBondContact O-CD 3.28Å; D2879-K2883 VanDerWaalsContact O-CG 3.27Å; D2879-K2883 WeakPolarHBondContact O-CG 3.22Å; D2879-K2883 PolarHBondContact O-N 3.13Å; D2879-K2883 PolarHBondContact O-NZ 3.18Å; D2879-K2883 WeakPolarHBondContact OD2-CE 3.48Å; D2879-K2883 IonicContact OD2-NZ 2.74Å; D2879-K2883 PolarHBondContact OD2-NZ 3.09Å |
| 2880 | G | 36.9 | Very low | 35.1 | Very low | 35.6 Ų | 35.6 | 77.7 Ų | 77.7 | 37% | 0.367 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.1 | -39.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D2876 T2877 L2878 N2884 | D2876-G2880 PolarHBondContact O-N 3.07Å; D2876-G2880 VanDerWaalsContact O-N 3.11Å; T2877-G2880 PolarHBondContact O-N 3.16Å; L2878-G2880 VanDerWaalsContact C-N 3.3Å; L2878-G2880 PolarHBondContact O-N 3.08Å; G2880-N2884 WeakPolarHBondContact O-CB 3.27Å; G2880-N2884 PolarHBondContact O-N 3.06Å; G2880-N2884 VanDerWaalsContact O-N 3.09Å; G2880-N2884 PolarHBondContact O-ND2 2.91Å; G2880-N2884 VanDerWaalsContact O-ND2 3.12Å |
| 2881 | V | 34.5 | Very low | 35.5 | Very low | 52.6 Ų | 52.6 | 74.9 Ų | 74.9 | 32% | 0.319 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -76 | -38.5 | 177.3 | 172 | 0 | 0 | 0 | 0 | 111.7 | T2877 L2878 D2879 K2883 N2884 S2885 T2931 T3002 | T2877-V2881 VanDerWaalsContact O-CB 3.31Å; T2877-V2881 WeakPolarHBondContact O-CB 3.14Å; T2877-V2881 VanDerWaalsContact O-CG2 3.24Å; T2877-V2881 WeakPolarHBondContact O-CG2 3.38Å; T2877-V2881 PolarHBondContact O-N 2.96Å; T2877-V2881 VanDerWaalsContact O-N 3.1Å; L2878-V2881 CarbonylContact O-C 3.57Å; L2878-V2881 WeakPolarHBondContact O-CB 3.38Å; L2878-V2881 PolarHBondContact O-N 3.22Å; D2879-V2881 PolarHBondContact O-N 3.01Å; V2881-K2883 VanDerWaalsContact C-N 3.34Å; V2881-K2883 PolarHBondContact O-N 3.29Å; V2881-N2884 CarbonylContact O-C 3.58Å; V2881-N2884 PolarHBondContact O-N 3.09Å; V2881-S2885 WeakPolarHBondContact O-CB 3.18Å; V2881-S2885 PolarHBondContact O-N 3.14Å; V2881-S2885 PolarHBondContact O-OG 3.36Å; V2881-T2931 HydrophobicContact CG1-CG2 4.25Å; V2881-T3002 HydrophobicContact CG1-CG2 4.49Å |
| 2882 | S | 35.4 | Very low | 35.9 | Very low | 31.6 Ų | 31.6 | 72.3 Ų | 72.3 | 22% | 0.221 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.1 | -49.4 | 174.2 | 86.8 | 0 | 0 | 0 | 0 | 110.4 | L2878 D2879 N2884 S2885 D2886 | L2878-S2882 WeakPolarHBondContact O-CA 3.38Å; L2878-S2882 VanDerWaalsContact O-CB 3.25Å; L2878-S2882 WeakPolarHBondContact O-CB 3.3Å; L2878-S2882 PolarHBondContact O-N 3.09Å; L2878-S2882 PolarHBondContact O-OG 3.24Å; L2878-S2882 VanDerWaalsContact O-OG 3.09Å; D2879-S2882 VanDerWaalsContact CA-OG 3.27Å; D2879-S2882 WeakPolarHBondContact CA-OG 3.4Å; D2879-S2882 PolarHBondContact O-N 3.13Å; D2879-S2882 PolarHBondContact O-OG 3.09Å; D2879-S2882 VanDerWaalsContact O-OG 3.13Å; D2879-S2882 PolarHBondContact OD1-OG 3.45Å; S2882-N2884 VanDerWaalsContact C-N 3.32Å; S2882-N2884 PolarHBondContact O-N 3.18Å; S2882-N2884 VanDerWaalsContact O-N 3.13Å; S2882-S2885 WeakPolarHBondContact CA-OG 3.14Å; S2882-S2885 CarbonylContact O-C 3.54Å; S2882-S2885 WeakPolarHBondContact O-CA 3.3Å; S2882-S2885 PolarHBondContact O-N 2.92Å; S2882-S2885 VanDerWaalsContact O-N 3.11Å; S2882-S2885 PolarHBondContact O-OG 3.18Å; S2882-D2886 WeakPolarHBondContact O-CA 3.16Å; S2882-D2886 VanDerWaalsContact O-CB 3.29Å; S2882-D2886 WeakPolarHBondContact O-CB 3.36Å; S2882-D2886 VanDerWaalsContact O-CG 3.24Å; S2882-D2886 PolarHBondContact O-N 3.29Å; S2882-D2886 PolarHBondContact OG-OD2 3.47Å |
| 2883 | K | 39.3 | Very low | 36.2 | Very low | 132.6 Ų | 132.6 | 73.1 Ų | 73.1 | 58% | 0.577 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -58.2 | -32.1 | 177.1 | -74.4 | 169.2 | -174.3 | 149.5 | 0 | 113.3 | D2879 V2881 Y2887 | D2879-K2883 WeakPolarHBondContact O-CB 3.45Å; D2879-K2883 VanDerWaalsContact O-CD 3.3Å; D2879-K2883 WeakPolarHBondContact O-CD 3.28Å; D2879-K2883 VanDerWaalsContact O-CG 3.27Å; D2879-K2883 WeakPolarHBondContact O-CG 3.22Å; D2879-K2883 PolarHBondContact O-N 3.13Å; D2879-K2883 PolarHBondContact O-NZ 3.18Å; D2879-K2883 WeakPolarHBondContact OD2-CE 3.48Å; D2879-K2883 IonicContact OD2-NZ 2.74Å; D2879-K2883 PolarHBondContact OD2-NZ 3.09Å; V2881-K2883 VanDerWaalsContact C-N 3.34Å; V2881-K2883 PolarHBondContact O-N 3.29Å; K2883-Y2887 VanDerWaalsContact O-CB 3.24Å; K2883-Y2887 WeakPolarHBondContact O-CB 3.38Å; K2883-Y2887 PolarHBondContact O-N 3.16Å |
| 2884 | N | 38.2 | Very low | 36.3 | Very low | 64 Ų | 64 | 68.3 Ų | 68.3 | 34% | 0.342 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -77.7 | -36.6 | 173.6 | -75.5 | -30.8 | 0 | 0 | 0 | 112.6 | G2880 V2881 S2882 D2886 Y2887 L2888 K2916 I2927 S3040 | G2880-N2884 WeakPolarHBondContact O-CB 3.27Å; G2880-N2884 PolarHBondContact O-N 3.06Å; G2880-N2884 VanDerWaalsContact O-N 3.09Å; G2880-N2884 PolarHBondContact O-ND2 2.91Å; G2880-N2884 VanDerWaalsContact O-ND2 3.12Å; V2881-N2884 CarbonylContact O-C 3.58Å; V2881-N2884 PolarHBondContact O-N 3.09Å; S2882-N2884 VanDerWaalsContact C-N 3.32Å; S2882-N2884 PolarHBondContact O-N 3.18Å; S2882-N2884 VanDerWaalsContact O-N 3.13Å; N2884-D2886 VanDerWaalsContact C-N 3.29Å; N2884-Y2887 WeakPolarHBondContact O-CB 3.28Å; N2884-Y2887 PolarHBondContact O-N 3.24Å; N2884-L2888 WeakPolarHBondContact O-CB 3.23Å; N2884-L2888 WeakPolarHBondContact O-CD1 3.25Å; N2884-L2888 VanDerWaalsContact O-CG 3.27Å; N2884-L2888 WeakPolarHBondContact O-CG 3.26Å; N2884-L2888 PolarHBondContact O-N 3.21Å; N2884-K2916 PolarHBondContact OD1-NZ 3.3Å; N2884-I2927 HydrophobicContact CB-CG2 3.74Å; N2884-S3040 WeakPolarHBondContact ND2-CB 3.38Å; N2884-S3040 PolarHBondContact ND2-OG 3.49Å |
| 2885 | S | 36.5 | Very low | 36.3 | Very low | 37.6 Ų | 37.6 | 72.3 Ų | 72.3 | 26% | 0.263 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.3 | -34.4 | 174.6 | 74.1 | 0 | 0 | 0 | 0 | 112.7 | V2881 S2882 Y2887 L2888 I2889 | V2881-S2885 WeakPolarHBondContact O-CB 3.18Å; V2881-S2885 PolarHBondContact O-N 3.14Å; V2881-S2885 PolarHBondContact O-OG 3.36Å; S2882-S2885 WeakPolarHBondContact CA-OG 3.14Å; S2882-S2885 CarbonylContact O-C 3.54Å; S2882-S2885 WeakPolarHBondContact O-CA 3.3Å; S2882-S2885 PolarHBondContact O-N 2.92Å; S2882-S2885 VanDerWaalsContact O-N 3.11Å; S2882-S2885 PolarHBondContact O-OG 3.18Å; S2885-Y2887 VanDerWaalsContact C-N 3.35Å; S2885-Y2887 PolarHBondContact O-N 3.45Å; S2885-L2888 CarbonylContact O-C 3.49Å; S2885-L2888 WeakPolarHBondContact O-CB 3.39Å; S2885-L2888 PolarHBondContact O-N 3.1Å; S2885-I2889 VanDerWaalsContact O-CB 3.29Å; S2885-I2889 WeakPolarHBondContact O-CB 3.24Å; S2885-I2889 WeakPolarHBondContact O-CD1 3.35Å; S2885-I2889 WeakPolarHBondContact O-CG1 3.19Å; S2885-I2889 PolarHBondContact O-N 3.08Å |
| 2886 | D | 37.8 | Very low | 36.3 | Very low | 72.2 Ų | 72.2 | 75.5 Ų | 75.5 | 39% | 0.386 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -78.3 | -26.5 | 177.4 | -69.6 | -31.6 | 0 | 0 | 0 | 111.1 | S2882 N2884 L2888 I2889 S2890 K2993 | S2882-D2886 WeakPolarHBondContact O-CA 3.16Å; S2882-D2886 VanDerWaalsContact O-CB 3.29Å; S2882-D2886 WeakPolarHBondContact O-CB 3.36Å; S2882-D2886 VanDerWaalsContact O-CG 3.24Å; S2882-D2886 PolarHBondContact O-N 3.29Å; S2882-D2886 PolarHBondContact OG-OD2 3.47Å; N2884-D2886 VanDerWaalsContact C-N 3.29Å; D2886-L2888 PolarHBondContact O-N 3.31Å; D2886-I2889 CarbonylContact O-C 3.55Å; D2886-I2889 PolarHBondContact O-N 3Å; D2886-S2890 WeakPolarHBondContact O-CA 3.4Å; D2886-S2890 VanDerWaalsContact O-CB 3.26Å; D2886-S2890 WeakPolarHBondContact O-CB 3.37Å; D2886-S2890 PolarHBondContact O-N 3.07Å; D2886-S2890 PolarHBondContact O-OG 3.14Å; D2886-S2890 VanDerWaalsContact O-OG 3.06Å; D2886-K2993 IonicContact OD1-NZ 3.2Å; D2886-K2993 PolarHBondContact OD1-NZ 3.05Å; D2886-K2993 IonicContact OD2-NZ 2.68Å; D2886-K2993 PolarHBondContact OD2-NZ 3.31Å |
| 2887 | Y | 38.8 | Very low | 36.2 | Very low | 102.8 Ų | 102.8 | 74.5 Ų | 74.5 | 40% | 0.403 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 170.5 | -166.1 | -94.8 | 0 | 0 | 0 | 111.6 | K2883 N2884 S2885 I2889 S2890 V2891 I2914 I2927 Y3032 S3033 | K2883-Y2887 VanDerWaalsContact O-CB 3.24Å; K2883-Y2887 WeakPolarHBondContact O-CB 3.38Å; K2883-Y2887 PolarHBondContact O-N 3.16Å; N2884-Y2887 WeakPolarHBondContact O-CB 3.28Å; N2884-Y2887 PolarHBondContact O-N 3.24Å; S2885-Y2887 VanDerWaalsContact C-N 3.35Å; S2885-Y2887 PolarHBondContact O-N 3.45Å; Y2887-I2889 VanDerWaalsContact C-N 3.29Å; Y2887-I2889 PolarHBondContact O-N 2.91Å; Y2887-S2890 WeakPolarHBondContact CA-OG 3.22Å; Y2887-S2890 CarbonylContact O-C 3.58Å; Y2887-S2890 PolarHBondContact O-N 3.1Å; Y2887-S2890 VanDerWaalsContact O-N 3.11Å; Y2887-S2890 PolarHBondContact O-OG 3.04Å; Y2887-S2890 VanDerWaalsContact O-OG 3.05Å; Y2887-V2891 HydrophobicContact CD1-CG2 4.08Å; Y2887-V2891 HydrophobicContact CD2-CG2 4.36Å; Y2887-V2891 HydrophobicContact CE1-CG2 3.94Å; Y2887-V2891 HydrophobicContact CE2-CG2 4.04Å; Y2887-V2891 HydrophobicContact CG-CG2 4.43Å; Y2887-V2891 VanDerWaalsContact O-CB 3.28Å; Y2887-V2891 WeakPolarHBondContact O-CB 3.38Å; Y2887-V2891 VanDerWaalsContact O-CG2 3.25Å; Y2887-V2891 WeakPolarHBondContact O-CG2 3.39Å; Y2887-V2891 PolarHBondContact O-N 3.25Å; Y2887-I2914 HydrophobicContact CE1-CD1 3.63Å; Y2887-I2927 HydrophobicContact CE1-CD1 4.43Å; Y2887-Y3032 HydrophobicContact CE1-CE1 4.22Å; Y2887-S3033 WeakPolarHBondContact CD1-OG 3.42Å |
| 2888 | L | 37.6 | Very low | 35.9 | Very low | 44.6 Ų | 44.6 | 79.2 Ų | 79.2 | 23% | 0.234 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.6 | -39 | 174.1 | -85.9 | 164.7 | 0 | 0 | 0 | 112.1 | N2884 S2885 D2886 V2891 I2892 T2924 I2927 L2928 T2931 I3012 I3030 | N2884-L2888 WeakPolarHBondContact O-CB 3.23Å; N2884-L2888 WeakPolarHBondContact O-CD1 3.25Å; N2884-L2888 VanDerWaalsContact O-CG 3.27Å; N2884-L2888 WeakPolarHBondContact O-CG 3.26Å; N2884-L2888 PolarHBondContact O-N 3.21Å; S2885-L2888 CarbonylContact O-C 3.49Å; S2885-L2888 WeakPolarHBondContact O-CB 3.39Å; S2885-L2888 PolarHBondContact O-N 3.1Å; D2886-L2888 PolarHBondContact O-N 3.31Å; L2888-V2891 CarbonylContact O-C 3.6Å; L2888-V2891 PolarHBondContact O-N 3.14Å; L2888-I2892 HydrophobicContact CB-CD1 4.43Å; L2888-I2892 VanDerWaalsContact O-CB 3.29Å; L2888-I2892 WeakPolarHBondContact O-CB 3.12Å; L2888-I2892 VanDerWaalsContact O-CD1 3.26Å; L2888-I2892 WeakPolarHBondContact O-CD1 3.43Å; L2888-I2892 WeakPolarHBondContact O-CG1 3.41Å; L2888-I2892 PolarHBondContact O-N 3.07Å; L2888-T2924 HydrophobicContact CD2-CG2 4Å; L2888-I2927 HydrophobicContact CD1-CG2 4.16Å; L2888-I2927 HydrophobicContact CD2-CG2 4.17Å; L2888-I2927 HydrophobicContact CG-CG2 4.17Å; L2888-L2928 HydrophobicContact CD1-CB 4.3Å; L2888-L2928 HydrophobicContact CD1-CD1 4.04Å; L2888-L2928 HydrophobicContact CD2-CB 4.43Å; L2888-L2928 HydrophobicContact CD2-CD1 3.92Å; L2888-L2928 VanDerWaalsContact CD2-CD1 3.49Å; L2888-L2928 HydrophobicContact CG-CD1 4.45Å; L2888-T2931 HydrophobicContact CD1-CG2 3.68Å; L2888-T2931 VanDerWaalsContact CD1-OG1 3.28Å; L2888-T2931 WeakPolarHBondContact CD1-OG1 3.24Å; L2888-I3012 HydrophobicContact CD1-CD1 4.36Å; L2888-I3030 HydrophobicContact CD2-CG2 4.17Å |
| 2889 | I | 38.8 | Very low | 35.8 | Very low | 65 Ų | 65 | 82.5 Ų | 82.5 | 33% | 0.333 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -72.1 | -40.1 | 176.3 | -67.5 | 167.8 | 0 | 0 | 0 | 110.2 | S2885 D2886 Y2887 V2891 I2892 T2893 S2989 | S2885-I2889 VanDerWaalsContact O-CB 3.29Å; S2885-I2889 WeakPolarHBondContact O-CB 3.24Å; S2885-I2889 WeakPolarHBondContact O-CD1 3.35Å; S2885-I2889 WeakPolarHBondContact O-CG1 3.19Å; S2885-I2889 PolarHBondContact O-N 3.08Å; D2886-I2889 CarbonylContact O-C 3.55Å; D2886-I2889 PolarHBondContact O-N 3Å; Y2887-I2889 VanDerWaalsContact C-N 3.29Å; Y2887-I2889 PolarHBondContact O-N 2.91Å; I2889-V2891 VanDerWaalsContact C-N 3.28Å; I2889-V2891 PolarHBondContact O-N 2.97Å; I2889-I2892 CarbonylContact O-C 3.53Å; I2889-I2892 WeakPolarHBondContact O-CA 3.39Å; I2889-I2892 WeakPolarHBondContact O-CB 3.21Å; I2889-I2892 PolarHBondContact O-N 2.96Å; I2889-T2893 HydrophobicContact CG2-CG2 3.99Å; I2889-T2893 WeakPolarHBondContact O-CA 3.44Å; I2889-T2893 VanDerWaalsContact O-CB 3.25Å; I2889-T2893 WeakPolarHBondContact O-CB 3.27Å; I2889-T2893 WeakPolarHBondContact O-CG2 3.25Å; I2889-T2893 PolarHBondContact O-N 3.17Å; I2889-T2893 PolarHBondContact O-OG1 3.06Å; I2889-T2893 VanDerWaalsContact O-OG1 3.06Å; I2889-S2989 WeakPolarHBondContact CD1-OG 3.49Å |
| 2890 | S | 40.3 | Very low | 35.4 | Very low | 44.8 Ų | 44.8 | 86.5 Ų | 86.5 | 31% | 0.313 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.4 | -35.5 | 175.3 | 71.8 | 0 | 0 | 0 | 0 | 112.3 | D2886 Y2887 I2892 T2893 S2894 | D2886-S2890 WeakPolarHBondContact O-CA 3.4Å; D2886-S2890 VanDerWaalsContact O-CB 3.26Å; D2886-S2890 WeakPolarHBondContact O-CB 3.37Å; D2886-S2890 PolarHBondContact O-N 3.07Å; D2886-S2890 PolarHBondContact O-OG 3.14Å; D2886-S2890 VanDerWaalsContact O-OG 3.06Å; Y2887-S2890 WeakPolarHBondContact CA-OG 3.22Å; Y2887-S2890 CarbonylContact O-C 3.58Å; Y2887-S2890 PolarHBondContact O-N 3.1Å; Y2887-S2890 VanDerWaalsContact O-N 3.11Å; Y2887-S2890 PolarHBondContact O-OG 3.04Å; Y2887-S2890 VanDerWaalsContact O-OG 3.05Å; S2890-I2892 PolarHBondContact O-N 3.14Å; S2890-T2893 WeakPolarHBondContact CA-OG1 3.37Å; S2890-T2893 CarbonylContact O-C 3.55Å; S2890-T2893 PolarHBondContact O-N 3.11Å; S2890-T2893 PolarHBondContact O-OG1 2.94Å; S2890-S2894 WeakPolarHBondContact O-CA 3.3Å; S2890-S2894 WeakPolarHBondContact O-CB 3.45Å; S2890-S2894 PolarHBondContact O-N 2.99Å; S2890-S2894 PolarHBondContact O-OG 3.34Å; S2890-S2894 VanDerWaalsContact O-OG 3.09Å |
| 2891 | V | 39.3 | Very low | 34.9 | Very low | 43.8 Ų | 43.8 | 91.2 Ų | 91.2 | 27% | 0.265 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66 | -32.6 | 172.3 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | Y2887 L2888 I2889 T2893 Q2918 T2924 A3029 I3030 | Y2887-V2891 HydrophobicContact CD1-CG2 4.08Å; Y2887-V2891 HydrophobicContact CD2-CG2 4.36Å; Y2887-V2891 HydrophobicContact CE1-CG2 3.94Å; Y2887-V2891 HydrophobicContact CE2-CG2 4.04Å; Y2887-V2891 HydrophobicContact CG-CG2 4.43Å; Y2887-V2891 VanDerWaalsContact O-CB 3.28Å; Y2887-V2891 WeakPolarHBondContact O-CB 3.38Å; Y2887-V2891 VanDerWaalsContact O-CG2 3.25Å; Y2887-V2891 WeakPolarHBondContact O-CG2 3.39Å; Y2887-V2891 PolarHBondContact O-N 3.25Å; L2888-V2891 CarbonylContact O-C 3.6Å; L2888-V2891 PolarHBondContact O-N 3.14Å; I2889-V2891 VanDerWaalsContact C-N 3.28Å; I2889-V2891 PolarHBondContact O-N 2.97Å; V2891-T2893 VanDerWaalsContact C-N 3.31Å; V2891-T2893 PolarHBondContact O-N 2.95Å; V2891-Q2918 PolarHBondContact O-NE2 3.21Å; V2891-Q2918 PolarHBondContact O-OE1 3.38Å; V2891-Q2918 VanDerWaalsContact O-OE1 3.13Å; V2891-T2924 HydrophobicContact CG1-CG2 3.76Å; V2891-A3029 HydrophobicContact CG1-CB 3.85Å; V2891-A3029 HydrophobicContact CG2-CB 4.47Å; V2891-I3030 HydrophobicContact CG1-CG1 4.5Å |
| 2892 | I | 39.1 | Very low | 34.5 | Very low | 63.4 Ų | 63.4 | 95.7 Ų | 95.7 | 33% | 0.325 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -78.8 | -23.8 | 175.3 | -65.6 | 165.4 | 0 | 0 | 0 | 112.2 | L2888 I2889 S2890 Q2896 Q2918 L2928 L2982 L2985 | L2888-I2892 HydrophobicContact CB-CD1 4.43Å; L2888-I2892 VanDerWaalsContact O-CB 3.29Å; L2888-I2892 WeakPolarHBondContact O-CB 3.12Å; L2888-I2892 VanDerWaalsContact O-CD1 3.26Å; L2888-I2892 WeakPolarHBondContact O-CD1 3.43Å; L2888-I2892 WeakPolarHBondContact O-CG1 3.41Å; L2888-I2892 PolarHBondContact O-N 3.07Å; I2889-I2892 CarbonylContact O-C 3.53Å; I2889-I2892 WeakPolarHBondContact O-CA 3.39Å; I2889-I2892 WeakPolarHBondContact O-CB 3.21Å; I2889-I2892 PolarHBondContact O-N 2.96Å; S2890-I2892 PolarHBondContact O-N 3.14Å; I2892-Q2896 WeakPolarHBondContact O-CG 3.47Å; I2892-Q2896 PolarHBondContact O-NE2 3.09Å; I2892-Q2918 PolarHBondContact O-NE2 3.23Å; I2892-Q2918 VanDerWaalsContact O-NE2 3.16Å; I2892-L2928 HydrophobicContact CD1-CD1 4.02Å; I2892-L2982 HydrophobicContact CD1-CD2 4.13Å; I2892-L2982 HydrophobicContact CG1-CD2 4.28Å; I2892-L2982 HydrophobicContact CG2-CD1 4.33Å; I2892-L2982 HydrophobicContact CG2-CD2 4.12Å; I2892-L2985 HydrophobicContact CD1-CD1 4.25Å |
| 2893 | T | 36.9 | Very low | 34.1 | Very low | 69 Ų | 69 | 101.6 Ų | 101.6 | 42% | 0.423 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -110.2 | -0.1 | -176.5 | 56.9 | 0 | 0 | 0 | 0 | 114.4 | I2889 S2890 V2891 Q2895 Q2896 V2915 | I2889-T2893 HydrophobicContact CG2-CG2 3.99Å; I2889-T2893 WeakPolarHBondContact O-CA 3.44Å; I2889-T2893 VanDerWaalsContact O-CB 3.25Å; I2889-T2893 WeakPolarHBondContact O-CB 3.27Å; I2889-T2893 WeakPolarHBondContact O-CG2 3.25Å; I2889-T2893 PolarHBondContact O-N 3.17Å; I2889-T2893 PolarHBondContact O-OG1 3.06Å; I2889-T2893 VanDerWaalsContact O-OG1 3.06Å; S2890-T2893 WeakPolarHBondContact CA-OG1 3.37Å; S2890-T2893 CarbonylContact O-C 3.55Å; S2890-T2893 PolarHBondContact O-N 3.11Å; S2890-T2893 PolarHBondContact O-OG1 2.94Å; V2891-T2893 VanDerWaalsContact C-N 3.31Å; V2891-T2893 PolarHBondContact O-N 2.95Å; T2893-Q2895 VanDerWaalsContact C-N 3.28Å; T2893-Q2895 PolarHBondContact O-N 3.37Å; T2893-Q2896 PolarHBondContact O-N 3.13Å; T2893-V2915 HydrophobicContact CG2-CG2 4.12Å |
| 2894 | S | 33.4 | Very low | 33.5 | Very low | 71 Ų | 71 | 100.7 Ų | 100.7 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | trans | -93.9 | 67.1 | -179.9 | 62.9 | 0 | 0 | 0 | 0 | 113.1 | S2890 Q2896 S2897 | S2890-S2894 WeakPolarHBondContact O-CA 3.3Å; S2890-S2894 WeakPolarHBondContact O-CB 3.45Å; S2890-S2894 PolarHBondContact O-N 2.99Å; S2890-S2894 PolarHBondContact O-OG 3.34Å; S2890-S2894 VanDerWaalsContact O-OG 3.09Å; S2894-Q2896 PolarHBondContact O-N 3.16Å; S2894-Q2896 VanDerWaalsContact O-N 3.15Å; S2894-S2897 PolarHBondContact O-N 3.23Å; S2894-S2897 PolarHBondContact O-OG 2.88Å | ||
| 2895 | Q | 32.3 | Very low | 33 | Very low | 141.6 Ų | 141.6 | 102.9 Ų | 102.9 | 66% | 0.662 | 55% | 0.547 | S | S | * | . | trans | -115.2 | 87.7 | 156.3 | -80.7 | -167.6 | -14.1 | 0 | 0 | 110.4 | T2893 E2908 K2916 | T2893-Q2895 VanDerWaalsContact C-N 3.28Å; T2893-Q2895 PolarHBondContact O-N 3.37Å; Q2895-E2908 PolarHBondContact NE2-OE2 2.94Å; Q2895-K2916 WeakPolarHBondContact O-CE 3.42Å; Q2895-K2916 PolarHBondContact O-NZ 3.09Å | ||
| 2896 | Q | 32.2 | Very low | 32.6 | Very low | 167.2 Ų | 167.2 | 106.9 Ų | 106.9 | 78% | 0.781 | 57% | 0.57 | S | S | * | * | trans | -142.7 | 105.3 | 159.7 | -75.5 | -176.9 | -16.3 | 0 | 0 | 110.3 | I2892 T2893 S2894 K2916 | I2892-Q2896 WeakPolarHBondContact O-CG 3.47Å; I2892-Q2896 PolarHBondContact O-NE2 3.09Å; T2893-Q2896 PolarHBondContact O-N 3.13Å; S2894-Q2896 PolarHBondContact O-N 3.16Å; S2894-Q2896 VanDerWaalsContact O-N 3.15Å; Q2896-K2916 VanDerWaalsContact CD-NZ 3.3Å; Q2896-K2916 VanDerWaalsContact OE1-NZ 3.09Å | ||
| 2897 | S | 30 | Very low | 32.1 | Very low | 105.2 Ų | 105.2 | 109.8 Ų | 109.8 | 74% | 0.736 | 58% | 0.581 | S | S | * | * | trans | -134.9 | 122.9 | 133 | 53.1 | 0 | 0 | 0 | 0 | 110.2 | S2894 | S2894-S2897 PolarHBondContact O-N 3.23Å; S2894-S2897 PolarHBondContact O-OG 2.88Å | ||
| 2898 | E | 28.8 | Very low | 31.6 | Very low | 175.8 Ų | 175.8 | 111.3 Ų | 111.3 | 82% | 0.821 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -78.4 | 114.5 | 169.2 | -66.7 | 176 | 153.8 | 0 | 0 | 112 | ||
| 2899 | D | 28.1 | Very low | 31 | Very low | 146.2 Ų | 146.2 | 116.5 Ų | 116.5 | 78% | 0.782 | 62% | 0.618 | S | S | * | * | trans | 78.7 | 100.8 | 163.6 | -63.4 | -25.9 | 0 | 0 | 0 | 119.3 | K2916 | D2899-K2916 IonicContact OD2-NZ 2.74Å; D2899-K2916 PolarHBondContact OD2-NZ 2.76Å | ||
| 2900 | I | 29.3 | Very low | 30.5 | Very low | 150 Ų | 150 | 120.8 Ų | 120.8 | 77% | 0.769 | 63% | 0.632 | S | S | * | * | trans | 131.5 | 99.5 | 157.5 | -53.9 | 170.8 | 0 | 0 | 0 | 115.7 | ||||
| 2901 | D | 26.8 | Very low | 29.9 | Very low | 133.8 Ų | 133.8 | 122 Ų | 122 | 72% | 0.716 | 64% | 0.64 | S | S | * | * | trans | 51.5 | 132 | 148.7 | -73.2 | -18.2 | 0 | 0 | 0 | 119.1 | N2438 Q2903 | N2438-D2901 WeakPolarHBondContact ND2-CB 3.43Å; N2438-D2901 PolarHBondContact ND2-OD2 3.32Å; D2901-Q2903 PolarHBondContact O-N 3.09Å | ||
| 2902 | E | 26 | Very low | 29.4 | Very low | 147.2 Ų | 147.2 | 127.4 Ų | 127.4 | 69% | 0.688 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -0.3 | 120.7 | 162.2 | -60.2 | 175.3 | 176 | 0 | 0 | 117.5 | I2435 L2436 K2437 N2438 D2439 | I2435-E2902 VanDerWaalsContact C-OE2 3.31Å; I2435-E2902 HydrophobicContact CG2-CG 4.14Å; L2436-E2902 VanDerWaalsContact CA-OE2 3.28Å; L2436-E2902 WeakPolarHBondContact CA-OE2 3.44Å; L2436-E2902 PolarHBondContact N-OE2 2.81Å; K2437-E2902 PolarHBondContact N-OE2 3.48Å; N2438-E2902 WeakPolarHBondContact CA-OE2 3.21Å; N2438-E2902 HydrophobicContact CB-CB 3.87Å; N2438-E2902 HydrophobicContact CB-CG 4.29Å; N2438-E2902 WeakPolarHBondContact CB-OE1 3.48Å; N2438-E2902 PolarHBondContact N-OE2 3.16Å; N2438-E2902 PolarHBondContact ND2-OE1 2.96Å; D2439-E2902 HydrophobicContact CB-CB 3.68Å; D2439-E2902 HydrophobicContact CB-CG 3.66Å; D2439-E2902 VanDerWaalsContact CB-OE2 3.31Å; D2439-E2902 WeakPolarHBondContact CB-OE2 3.23Å; D2439-E2902 PolarHBondContact N-OE2 3.25Å; D2439-E2902 WeakPolarHBondContact OD1-CB 3.22Å |
| 2903 | Q | 26.8 | Very low | 29.2 | Very low | 155.4 Ų | 155.4 | 127.5 Ų | 127.5 | 73% | 0.726 | 67% | 0.667 | S | S | * | * | trans | 96 | 62.5 | 142.6 | -82.6 | 179.4 | 41.9 | 0 | 0 | 119.7 | D2439 Q2440 D2441 D2901 T2905 | D2439-Q2903 VanDerWaalsContact CG-NE2 3.31Å; D2439-Q2903 PolarHBondContact O-NE2 3.07Å; D2439-Q2903 WeakPolarHBondContact OD1-CB 3.24Å; D2439-Q2903 WeakPolarHBondContact OD1-CG 3.21Å; D2439-Q2903 PolarHBondContact OD1-NE2 3.21Å; Q2440-Q2903 VanDerWaalsContact N-CD 3.28Å; D2441-Q2903 VanDerWaalsContact C-NE2 3.33Å; D2441-Q2903 HydrophobicContact CB-CG 3.69Å; D2901-Q2903 PolarHBondContact O-N 3.09Å; Q2903-T2905 VanDerWaalsContact C-N 3.33Å; Q2903-T2905 PolarHBondContact O-N 3.11Å | ||
| 2904 | V | 26.4 | Very low | 29 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 69% | 0.691 | 68% | 0.675 | S | S | * | * | trans | -104.4 | 117 | 159.3 | -172.5 | 0 | 0 | 0 | 0 | 110.7 | V2906 E2908 | V2904-V2906 PolarHBondContact O-N 3.09Å; V2904-E2908 HydrophobicContact CG1-CB 4.01Å; V2904-E2908 HydrophobicContact CG1-CG 3.93Å; V2904-E2908 WeakPolarHBondContact CG1-OE2 3.32Å | ||
| 2905 | T | 28 | Very low | 29.3 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 68% | 0.681 | 66% | 0.66 | S | S | * | * | trans | -58.7 | 138.6 | 176 | 51.4 | 0 | 0 | 0 | 0 | 112.4 | Q2903 H2907 E2908 | Q2903-T2905 VanDerWaalsContact C-N 3.33Å; Q2903-T2905 PolarHBondContact O-N 3.11Å; T2905-H2907 PolarHBondContact O-N 3.43Å; T2905-E2908 PolarHBondContact O-N 3.35Å; T2905-E2908 VanDerWaalsContact O-N 3.14Å | ||
| 2906 | V | 28 | Very low | 29.9 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 73% | 0.727 | 65% | 0.652 | S | S | * | * | trans | 29.5 | 70.3 | 170.8 | -176.2 | 0 | 0 | 0 | 0 | 115.9 | V2904 E2908 | V2904-V2906 PolarHBondContact O-N 3.09Å; V2906-E2908 PolarHBondContact O-N 2.96Å | ||
| 2907 | H | 28 | Very low | 30.5 | Very low | 133.6 Ų | 133.6 | 124 Ų | 124 | 62% | 0.619 | 64% | 0.64 | S | S | * | * | trans | -45.4 | 13.5 | 166.3 | -80 | -56.1 | 0 | 0 | 0 | 117.9 | Y2584 T2905 L2909 Y2910 S2911 | Y2584-H2907 AromaticContact CD1-CE1 3.64Å; Y2584-H2907 AromaticContact CD1-NE2 3.78Å; Y2584-H2907 AromaticContact CE1-CD2 3.54Å; Y2584-H2907 AromaticContact CE1-CE1 3.7Å; Y2584-H2907 AromaticContact CE1-CG 3.76Å; Y2584-H2907 AromaticContact CE1-ND1 3.85Å; Y2584-H2907 AromaticContact CE1-NE2 3.55Å; Y2584-H2907 AromaticContact CZ-CD2 3.8Å; Y2584-H2907 AromaticContact CZ-NE2 3.94Å; T2905-H2907 PolarHBondContact O-N 3.43Å; H2907-L2909 PolarHBondContact O-N 2.75Å; H2907-Y2910 WeakPolarHBondContact O-CA 3.24Å; H2907-Y2910 WeakPolarHBondContact O-CB 3.25Å; H2907-Y2910 PolarHBondContact O-N 3.16Å; H2907-S2911 PolarHBondContact O-N 3.08Å | ||
| 2908 | E | 26.9 | Very low | 31.7 | Very low | 134.2 Ų | 134.2 | 120.5 Ų | 120.5 | 63% | 0.627 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -94 | 4.9 | 175.5 | -71.6 | -154.2 | 138.1 | 0 | 0 | 115 | Q2895 V2904 T2905 V2906 Y2910 S2911 | Q2895-E2908 PolarHBondContact NE2-OE2 2.94Å; V2904-E2908 HydrophobicContact CG1-CB 4.01Å; V2904-E2908 HydrophobicContact CG1-CG 3.93Å; V2904-E2908 WeakPolarHBondContact CG1-OE2 3.32Å; T2905-E2908 PolarHBondContact O-N 3.35Å; T2905-E2908 VanDerWaalsContact O-N 3.14Å; V2906-E2908 PolarHBondContact O-N 2.96Å; E2908-Y2910 PolarHBondContact O-N 3.11Å; E2908-Y2910 VanDerWaalsContact O-N 3.13Å; E2908-S2911 PolarHBondContact O-N 3.28Å; E2908-S2911 VanDerWaalsContact O-N 3.14Å; E2908-S2911 PolarHBondContact O-OG 3.07Å; E2908-S2911 WeakPolarHBondContact OE2-CB 3.44Å; E2908-S2911 PolarHBondContact OE2-OG 2.69Å |
| 2909 | L | 26.4 | Very low | 33 | Very low | 153.8 Ų | 153.8 | 116 Ų | 116 | 81% | 0.805 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -82.5 | -8.3 | 168.2 | -87.2 | 167.5 | 0 | 0 | 0 | 112.9 | H2907 S2911 | H2907-L2909 PolarHBondContact O-N 2.75Å; L2909-S2911 VanDerWaalsContact C-N 3.34Å; L2909-S2911 PolarHBondContact O-N 2.68Å |
| 2910 | Y | 27.6 | Very low | 34.5 | Very low | 155.2 Ų | 155.2 | 109.6 Ų | 109.6 | 61% | 0.609 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -107 | 2.6 | -177.3 | -73.4 | -77.6 | 0 | 0 | 0 | 114.1 | H2907 E2908 K2912 Q2998 Y3382 | H2907-Y2910 WeakPolarHBondContact O-CA 3.24Å; H2907-Y2910 WeakPolarHBondContact O-CB 3.25Å; H2907-Y2910 PolarHBondContact O-N 3.16Å; E2908-Y2910 PolarHBondContact O-N 3.11Å; E2908-Y2910 VanDerWaalsContact O-N 3.13Å; Y2910-K2912 PolarHBondContact O-N 3.44Å; Y2910-Q2998 HydrophobicContact CE1-CG 3.99Å; Y2910-Q2998 VanDerWaalsContact CE1-NE2 3.33Å; Y2910-Q2998 PolarHBondContact OH-NE2 3.09Å; Y2910-Y3382 PolarHBondContact O-OH 2.96Å |
| 2911 | S | 28.4 | Very low | 35.9 | Very low | 70.8 Ų | 70.8 | 104.8 Ų | 104.8 | 50% | 0.495 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -93.6 | 89.6 | -179 | 59.1 | 0 | 0 | 0 | 0 | 113 | Q2591 H2907 E2908 L2909 S2913 Y3382 | Q2591-S2911 PolarHBondContact NE2-O 3.14Å; H2907-S2911 PolarHBondContact O-N 3.08Å; E2908-S2911 PolarHBondContact O-N 3.28Å; E2908-S2911 VanDerWaalsContact O-N 3.14Å; E2908-S2911 PolarHBondContact O-OG 3.07Å; E2908-S2911 WeakPolarHBondContact OE2-CB 3.44Å; E2908-S2911 PolarHBondContact OE2-OG 2.69Å; L2909-S2911 VanDerWaalsContact C-N 3.34Å; L2909-S2911 PolarHBondContact O-N 2.68Å; S2911-S2913 PolarHBondContact O-N 3.24Å; S2911-S2913 VanDerWaalsContact O-N 3.14Å; S2911-Y3382 PolarHBondContact O-OH 3.44Å; S2911-Y3382 VanDerWaalsContact O-OH 3.06Å |
| 2912 | K | 28.5 | Very low | 37.3 | Very low | 156.6 Ų | 156.6 | 101 Ų | 101 | 68% | 0.681 | 52% | 0.515 | S | S | * | . | trans | -84.8 | 104.1 | 171.2 | -83.1 | 171.5 | -179.3 | 171.2 | 0 | 111.3 | N2510 L2514 Q2591 N2595 Y2910 I2914 | N2510-K2912 VanDerWaalsContact CG-NZ 3.32Å; N2510-K2912 PolarHBondContact OD1-NZ 3.16Å; L2514-K2912 VanDerWaalsContact CD1-NZ 3.32Å; Q2591-K2912 HydrophobicContact CG-CG 4.41Å; N2595-K2912 WeakPolarHBondContact OD1-CE 3.32Å; Y2910-K2912 PolarHBondContact O-N 3.44Å; K2912-I2914 VanDerWaalsContact C-N 3.34Å; K2912-I2914 PolarHBondContact O-N 3.14Å; K2912-I2914 VanDerWaalsContact O-N 3.07Å | ||
| 2913 | S | 33.6 | Very low | 38.8 | Very low | 66.8 Ų | 66.8 | 100.4 Ų | 100.4 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | trans | -60 | 104.5 | 162.7 | 51.7 | 0 | 0 | 0 | 0 | 108.7 | N2595 S2911 V2915 A2986 | N2595-S2913 PolarHBondContact ND2-O 2.94Å; S2911-S2913 PolarHBondContact O-N 3.24Å; S2911-S2913 VanDerWaalsContact O-N 3.14Å; S2913-V2915 VanDerWaalsContact C-N 3.29Å; S2913-V2915 WeakPolarHBondContact O-CG2 3.16Å; S2913-V2915 PolarHBondContact O-N 3Å; S2913-V2915 VanDerWaalsContact O-N 3.12Å; S2913-A2986 WeakPolarHBondContact OG-CB 3.47Å | ||
| 2914 | I | 33.9 | Very low | 40.1 | Very low | 117.2 Ų | 117.2 | 94.2 Ų | 94.2 | 60% | 0.601 | 48% | 0.482 | S | S | * | . | trans | -73.6 | 96.6 | 174.2 | -60.5 | 176.4 | 0 | 0 | 0 | 106.6 | T2599 Y2887 K2912 K2916 | T2599-I2914 HydrophobicContact CG2-CG2 4.23Å; Y2887-I2914 HydrophobicContact CE1-CD1 3.63Å; K2912-I2914 VanDerWaalsContact C-N 3.34Å; K2912-I2914 PolarHBondContact O-N 3.14Å; K2912-I2914 VanDerWaalsContact O-N 3.07Å; I2914-K2916 HydrophobicContact CG2-CB 4.44Å; I2914-K2916 HydrophobicContact CG2-CD 4.01Å; I2914-K2916 HydrophobicContact CG2-CG 4.29Å; I2914-K2916 PolarHBondContact O-N 3.23Å | ||
| 2915 | V | 40.2 | Very low | 41.6 | Very low | 30.4 Ų | 30.4 | 88.8 Ų | 88.8 | 18% | 0.184 | 45% | 0.45 | C | S | . | . | trans | -72.8 | 95.7 | 177.4 | -172 | 0 | 0 | 0 | 0 | 108.5 | N2595 T2599 T2893 S2913 E2917 S2979 L2982 K2983 A2986 | N2595-V2915 HydrophobicContact CB-CB 4.42Å; N2595-V2915 HydrophobicContact CB-CG2 4.02Å; T2599-V2915 VanDerWaalsContact CB-C 3.47Å; T2599-V2915 WeakPolarHBondContact CB-O 3.14Å; T2599-V2915 PolarHBondContact OG1-O 3.03Å; T2893-V2915 HydrophobicContact CG2-CG2 4.12Å; S2913-V2915 VanDerWaalsContact C-N 3.29Å; S2913-V2915 WeakPolarHBondContact O-CG2 3.16Å; S2913-V2915 PolarHBondContact O-N 3Å; S2913-V2915 VanDerWaalsContact O-N 3.12Å; V2915-E2917 HydrophobicContact CG1-CG 4.14Å; V2915-E2917 PolarHBondContact O-N 3.11Å; V2915-S2979 WeakPolarHBondContact CG1-O 3.43Å; V2915-S2979 VanDerWaalsContact O-CB 3.27Å; V2915-S2979 WeakPolarHBondContact O-CB 3.35Å; V2915-L2982 HydrophobicContact CG1-CB 3.27Å; V2915-L2982 VanDerWaalsContact CG1-CB 3.42Å; V2915-L2982 HydrophobicContact CG1-CD1 4.03Å; V2915-L2982 HydrophobicContact CG1-CG 4.29Å; V2915-K2983 HydrophobicContact CG1-CB 4.25Å; V2915-A2986 HydrophobicContact CG2-CB 4.08Å | ||
| 2916 | K | 44 | Very low | 42.9 | Very low | 112.4 Ų | 112.4 | 86.3 Ų | 86.3 | 49% | 0.489 | 44% | 0.437 | S | S | . | . | trans | -81.2 | 142.1 | 171.9 | -80.3 | -176.3 | 176.7 | 177.3 | 0 | 109.3 | T2599 N2884 Q2895 Q2896 D2899 I2914 Q2918 L2982 | T2599-K2916 HydrophobicContact CG2-CG 4.16Å; N2884-K2916 PolarHBondContact OD1-NZ 3.3Å; Q2895-K2916 WeakPolarHBondContact O-CE 3.42Å; Q2895-K2916 PolarHBondContact O-NZ 3.09Å; Q2896-K2916 VanDerWaalsContact CD-NZ 3.3Å; Q2896-K2916 VanDerWaalsContact OE1-NZ 3.09Å; D2899-K2916 IonicContact OD2-NZ 2.74Å; D2899-K2916 PolarHBondContact OD2-NZ 2.76Å; I2914-K2916 HydrophobicContact CG2-CB 4.44Å; I2914-K2916 HydrophobicContact CG2-CD 4.01Å; I2914-K2916 HydrophobicContact CG2-CG 4.29Å; I2914-K2916 PolarHBondContact O-N 3.23Å; K2916-Q2918 VanDerWaalsContact O-CG 3.24Å; K2916-Q2918 WeakPolarHBondContact O-CG 3.43Å; K2916-Q2918 PolarHBondContact O-N 3.04Å; K2916-Q2918 VanDerWaalsContact O-N 3.12Å; K2916-Q2918 PolarHBondContact O-NE2 2.94Å; K2916-L2982 WeakPolarHBondContact O-CD1 3.28Å | ||
| 2917 | E | 45.6 | Very low | 44.2 | Very low | 114.2 Ų | 114.2 | 83.8 Ų | 83.8 | 53% | 0.534 | 42% | 0.419 | S | S | . | . | trans | -56.1 | 130.5 | 169 | -106.4 | 165.1 | -161 | 0 | 0 | 109.8 | T2599 S2600 K2601 V2915 D2919 K2976 L2977 | T2599-E2917 WeakPolarHBondContact O-CB 3.25Å; T2599-E2917 PolarHBondContact O-N 2.83Å; T2599-E2917 VanDerWaalsContact O-N 3.08Å; S2600-E2917 WeakPolarHBondContact CA-OE1 3.39Å; K2601-E2917 WeakPolarHBondContact CB-OE2 3.12Å; K2601-E2917 HydrophobicContact CD-CG 4.4Å; K2601-E2917 WeakPolarHBondContact CD-OE2 3.32Å; K2601-E2917 HydrophobicContact CG-CB 4.26Å; K2601-E2917 WeakPolarHBondContact CG-OE2 3.41Å; K2601-E2917 PolarHBondContact N-OE2 2.94Å; V2915-E2917 HydrophobicContact CG1-CG 4.14Å; V2915-E2917 PolarHBondContact O-N 3.11Å; E2917-D2919 PolarHBondContact O-N 3.46Å; E2917-D2919 VanDerWaalsContact O-N 3.15Å; E2917-K2976 IonicContact OE2-NZ 3.94Å; E2917-K2976 PolarHBondContact OE2-NZ 3.18Å; E2917-L2977 CarbonylContact C-O 3.48Å; E2917-L2977 VanDerWaalsContact CA-O 3.31Å; E2917-L2977 WeakPolarHBondContact CA-O 3.44Å; E2917-L2977 WeakPolarHBondContact CG-O 3.42Å | ||
| 2918 | Q | 55.4 | Low | 45.6 | Very low | 31.4 Ų | 31.4 | 78.2 Ų | 78.2 | 15% | 0.147 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126.2 | -178.7 | -72.7 | -173 | -6.6 | 0 | 0 | 110.9 | V2891 I2892 K2916 I2920 I2975 L2977 L2982 | V2891-Q2918 PolarHBondContact O-NE2 3.21Å; V2891-Q2918 PolarHBondContact O-OE1 3.38Å; V2891-Q2918 VanDerWaalsContact O-OE1 3.13Å; I2892-Q2918 PolarHBondContact O-NE2 3.23Å; I2892-Q2918 VanDerWaalsContact O-NE2 3.16Å; K2916-Q2918 VanDerWaalsContact O-CG 3.24Å; K2916-Q2918 WeakPolarHBondContact O-CG 3.43Å; K2916-Q2918 PolarHBondContact O-N 3.04Å; K2916-Q2918 VanDerWaalsContact O-N 3.12Å; K2916-Q2918 PolarHBondContact O-NE2 2.94Å; Q2918-I2920 HydrophobicContact CB-CD1 4.49Å; Q2918-I2920 HydrophobicContact CB-CG1 4.24Å; Q2918-I2920 HydrophobicContact CB-CG2 4.15Å; Q2918-I2920 WeakPolarHBondContact O-CG1 3.47Å; Q2918-I2920 PolarHBondContact O-N 3.06Å; Q2918-I2975 VanDerWaalsContact O-O 3.13Å; Q2918-L2977 PolarHBondContact N-O 3.17Å; Q2918-L2977 WeakPolarHBondContact O-CB 3.42Å; Q2918-L2977 PolarHBondContact O-N 3.1Å; Q2918-L2982 HydrophobicContact CB-CD1 4.16Å; Q2918-L2982 VanDerWaalsContact CD-CD1 3.46Å; Q2918-L2982 HydrophobicContact CG-CD1 4.01Å |
| 2919 | D | 55.4 | Low | 47.2 | Very low | 81.6 Ų | 81.6 | 72.6 Ų | 72.6 | 44% | 0.436 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 102 | 172 | -77.5 | 4.5 | 0 | 0 | 0 | 108.3 | K2601 E2917 D2921 I2974 I2975 K2976 | K2601-D2919 IonicContact NZ-OD1 3.62Å; K2601-D2919 PolarHBondContact NZ-OD1 3.06Å; K2601-D2919 IonicContact NZ-OD2 2.73Å; K2601-D2919 PolarHBondContact NZ-OD2 2.79Å; E2917-D2919 PolarHBondContact O-N 3.46Å; E2917-D2919 VanDerWaalsContact O-N 3.15Å; D2919-D2921 PolarHBondContact O-N 3.07Å; D2919-I2974 HydrophobicContact CB-CB 4.48Å; D2919-I2974 HydrophobicContact CB-CD1 4.35Å; D2919-I2974 HydrophobicContact CB-CG1 4.23Å; D2919-I2974 HydrophobicContact CB-CG2 3.41Å; D2919-I2974 VanDerWaalsContact CB-CG2 3.48Å; D2919-I2974 VanDerWaalsContact CG-CG2 3.47Å; D2919-I2975 CarbonylContact C-O 3.56Å; D2919-K2976 WeakPolarHBondContact OD1-CE 3.14Å; D2919-K2976 VanDerWaalsContact OD1-CG 3.24Å; D2919-K2976 WeakPolarHBondContact OD1-CG 3.35Å; D2919-K2976 IonicContact OD1-NZ 2.98Å; D2919-K2976 PolarHBondContact OD1-NZ 3.42Å; D2919-K2976 IonicContact OD2-NZ 3.51Å; D2919-K2976 PolarHBondContact OD2-NZ 3.24Å |
| 2920 | I | 58.4 | Low | 48.6 | Very low | 13 Ų | 13 | 68 Ų | 68 | 7% | 0.067 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 139.6 | -178.4 | 49.1 | 172.3 | 0 | 0 | 0 | 110.9 | Q2918 T2924 A2925 L2928 I2974 I2975 L2977 | Q2918-I2920 HydrophobicContact CB-CD1 4.49Å; Q2918-I2920 HydrophobicContact CB-CG1 4.24Å; Q2918-I2920 HydrophobicContact CB-CG2 4.15Å; Q2918-I2920 WeakPolarHBondContact O-CG1 3.47Å; Q2918-I2920 PolarHBondContact O-N 3.06Å; I2920-T2924 HydrophobicContact CB-CG2 4.17Å; I2920-T2924 HydrophobicContact CG2-CG2 4.08Å; I2920-T2924 VanDerWaalsContact CG2-CG2 3.5Å; I2920-A2925 HydrophobicContact CD1-CB 3.86Å; I2920-A2925 HydrophobicContact CG1-CB 4.22Å; I2920-L2928 HydrophobicContact CD1-CD2 4.3Å; I2920-I2974 CarbonylContact O-C 3.4Å; I2920-I2974 WeakPolarHBondContact O-CA 3.14Å; I2920-I2975 HydrophobicContact CD1-CB 4.43Å; I2920-I2975 HydrophobicContact CD1-CG2 4.32Å; I2920-I2975 HydrophobicContact CG1-CB 3.98Å; I2920-I2975 HydrophobicContact CG1-CG2 4.22Å; I2920-I2975 WeakPolarHBondContact CG1-O 3.32Å; I2920-I2975 PolarHBondContact N-O 2.93Å; I2920-I2975 PolarHBondContact O-N 3.14Å; I2920-L2977 HydrophobicContact CD1-CB 4.2Å; I2920-L2977 HydrophobicContact CD1-CD1 3.56Å; I2920-L2977 VanDerWaalsContact CD1-CD1 3.47Å; I2920-L2977 HydrophobicContact CD1-CD2 4.43Å; I2920-L2977 HydrophobicContact CD1-CG 3.99Å; I2920-L2977 HydrophobicContact CG1-CD1 4.2Å; I2920-L2977 HydrophobicContact CG1-CG 4.31Å; I2920-L2977 HydrophobicContact CG2-CD1 3.97Å; I2920-L2977 HydrophobicContact CG2-CG 4.14Å |
| 2921 | D | 59.1 | Low | 49.8 | Very low | 48.2 Ų | 48.2 | 62.5 Ų | 62.5 | 26% | 0.258 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 160.8 | 174.7 | 69 | 35.1 | 0 | 0 | 0 | 112 | D2919 K2923 T2924 A2925 P2973 | D2919-D2921 PolarHBondContact O-N 3.07Å; D2921-K2923 VanDerWaalsContact C-N 3.29Å; D2921-K2923 PolarHBondContact O-N 3.07Å; D2921-K2923 VanDerWaalsContact OD1-CA 3.3Å; D2921-K2923 WeakPolarHBondContact OD1-CA 3.28Å; D2921-K2923 VanDerWaalsContact OD1-CB 3.29Å; D2921-K2923 WeakPolarHBondContact OD1-CB 3.41Å; D2921-K2923 PolarHBondContact OD1-N 3.07Å; D2921-K2923 VanDerWaalsContact OD1-N 3.07Å; D2921-T2924 WeakPolarHBondContact O-CB 3.01Å; D2921-T2924 PolarHBondContact O-N 3.18Å; D2921-T2924 VanDerWaalsContact O-N 3.07Å; D2921-T2924 VanDerWaalsContact OD1-CB 3.23Å; D2921-T2924 WeakPolarHBondContact OD1-CB 3.32Å; D2921-T2924 PolarHBondContact OD1-N 2.91Å; D2921-T2924 PolarHBondContact OD1-OG1 2.89Å; D2921-T2924 PolarHBondContact OD2-OG1 3.12Å; D2921-A2925 WeakPolarHBondContact O-CB 3.45Å; D2921-A2925 PolarHBondContact O-N 2.91Å; D2921-P2973 WeakPolarHBondContact CA-O 3.06Å |
| 2922 | I | 57 | Low | 51.1 | Low | 54 Ų | 54 | 59.2 Ų | 59.2 | 28% | 0.277 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -55.5 | -32.8 | 178.9 | -79.5 | -180 | 0 | 0 | 0 | 112.9 | A2925 S2926 L2963 P2973 I2975 | I2922-A2925 WeakPolarHBondContact O-CB 3.44Å; I2922-A2925 PolarHBondContact O-N 3.18Å; I2922-S2926 WeakPolarHBondContact O-CB 3.42Å; I2922-S2926 PolarHBondContact O-N 3.2Å; I2922-L2963 HydrophobicContact CD1-CB 4.06Å; I2922-L2963 HydrophobicContact CD1-CD1 4.17Å; I2922-L2963 HydrophobicContact CG1-CD1 4.2Å; I2922-P2973 HydrophobicContact CD1-CB 3.6Å; I2922-P2973 VanDerWaalsContact CD1-CB 3.47Å; I2922-P2973 HydrophobicContact CD1-CG 3.95Å; I2922-P2973 HydrophobicContact CG1-CB 4.07Å; I2922-P2973 HydrophobicContact CG1-CG 4.43Å; I2922-P2973 PolarHBondContact N-O 2.97Å; I2922-P2973 VanDerWaalsContact N-O 3.14Å; I2922-I2975 HydrophobicContact CG1-CD1 4.3Å |
| 2923 | K | 56 | Low | 52.6 | Low | 135.4 Ų | 135.4 | 57.1 Ų | 57.1 | 59% | 0.589 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -69.3 | -46.3 | 179.1 | -112.1 | -178.2 | 179.4 | 180 | 0 | 110.8 | D2921 A2925 S2926 I2927 | D2921-K2923 VanDerWaalsContact C-N 3.29Å; D2921-K2923 PolarHBondContact O-N 3.07Å; D2921-K2923 VanDerWaalsContact OD1-CA 3.3Å; D2921-K2923 WeakPolarHBondContact OD1-CA 3.28Å; D2921-K2923 VanDerWaalsContact OD1-CB 3.29Å; D2921-K2923 WeakPolarHBondContact OD1-CB 3.41Å; D2921-K2923 PolarHBondContact OD1-N 3.07Å; D2921-K2923 VanDerWaalsContact OD1-N 3.07Å; K2923-A2925 VanDerWaalsContact C-N 3.32Å; K2923-A2925 PolarHBondContact O-N 3.37Å; K2923-S2926 WeakPolarHBondContact O-CB 3.34Å; K2923-S2926 PolarHBondContact O-N 3.19Å; K2923-S2926 VanDerWaalsContact O-N 3.1Å; K2923-S2926 PolarHBondContact O-OG 3.11Å; K2923-I2927 WeakPolarHBondContact O-CD1 3.26Å; K2923-I2927 VanDerWaalsContact O-CG1 3.29Å; K2923-I2927 WeakPolarHBondContact O-CG1 3.41Å; K2923-I2927 PolarHBondContact O-N 3.19Å |
| 2924 | T | 54.9 | Low | 53.4 | Low | 23.6 Ų | 23.6 | 56.4 Ų | 56.4 | 15% | 0.145 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 175 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | L2888 V2891 I2920 D2921 S2926 I2927 L2928 | L2888-T2924 HydrophobicContact CD2-CG2 4Å; V2891-T2924 HydrophobicContact CG1-CG2 3.76Å; I2920-T2924 HydrophobicContact CB-CG2 4.17Å; I2920-T2924 HydrophobicContact CG2-CG2 4.08Å; I2920-T2924 VanDerWaalsContact CG2-CG2 3.5Å; D2921-T2924 WeakPolarHBondContact O-CB 3.01Å; D2921-T2924 PolarHBondContact O-N 3.18Å; D2921-T2924 VanDerWaalsContact O-N 3.07Å; D2921-T2924 VanDerWaalsContact OD1-CB 3.23Å; D2921-T2924 WeakPolarHBondContact OD1-CB 3.32Å; D2921-T2924 PolarHBondContact OD1-N 2.91Å; D2921-T2924 PolarHBondContact OD1-OG1 2.89Å; D2921-T2924 PolarHBondContact OD2-OG1 3.12Å; T2924-S2926 VanDerWaalsContact C-N 3.33Å; T2924-S2926 PolarHBondContact O-N 3.05Å; T2924-I2927 CarbonylContact O-C 3.53Å; T2924-I2927 WeakPolarHBondContact O-CB 3.37Å; T2924-I2927 PolarHBondContact O-N 3.05Å; T2924-I2927 VanDerWaalsContact O-N 3.16Å; T2924-L2928 WeakPolarHBondContact O-CB 3.28Å; T2924-L2928 PolarHBondContact O-N 3.03Å |
| 2925 | A | 58.1 | Low | 54.2 | Low | 1.8 Ų | 1.8 | 52.6 Ų | 52.6 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I2920 D2921 I2922 K2923 I2927 L2928 I2929 I2956 I2975 | I2920-A2925 HydrophobicContact CD1-CB 3.86Å; I2920-A2925 HydrophobicContact CG1-CB 4.22Å; D2921-A2925 WeakPolarHBondContact O-CB 3.45Å; D2921-A2925 PolarHBondContact O-N 2.91Å; I2922-A2925 WeakPolarHBondContact O-CB 3.44Å; I2922-A2925 PolarHBondContact O-N 3.18Å; K2923-A2925 VanDerWaalsContact C-N 3.32Å; K2923-A2925 PolarHBondContact O-N 3.37Å; A2925-I2927 VanDerWaalsContact C-N 3.34Å; A2925-I2927 PolarHBondContact O-N 3.01Å; A2925-L2928 WeakPolarHBondContact O-CB 3.32Å; A2925-L2928 PolarHBondContact O-N 2.89Å; A2925-I2929 VanDerWaalsContact O-CB 3.26Å; A2925-I2929 WeakPolarHBondContact O-CB 3.34Å; A2925-I2929 VanDerWaalsContact O-CG1 3.28Å; A2925-I2929 WeakPolarHBondContact O-CG1 3.25Å; A2925-I2929 PolarHBondContact O-N 2.95Å; A2925-I2956 HydrophobicContact CB-CG2 3.85Å; A2925-I2975 HydrophobicContact CB-CD1 3.59Å |
| 2926 | S | 56.3 | Low | 54.8 | Low | 57.6 Ų | 57.6 | 52.4 Ų | 52.4 | 40% | 0.403 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 175 | 95.5 | 0 | 0 | 0 | 0 | 112.3 | I2922 K2923 T2924 S2930 | I2922-S2926 WeakPolarHBondContact O-CB 3.42Å; I2922-S2926 PolarHBondContact O-N 3.2Å; K2923-S2926 WeakPolarHBondContact O-CB 3.34Å; K2923-S2926 PolarHBondContact O-N 3.19Å; K2923-S2926 VanDerWaalsContact O-N 3.1Å; K2923-S2926 PolarHBondContact O-OG 3.11Å; T2924-S2926 VanDerWaalsContact C-N 3.33Å; T2924-S2926 PolarHBondContact O-N 3.05Å; S2926-S2930 VanDerWaalsContact O-CB 3.24Å; S2926-S2930 WeakPolarHBondContact O-CB 3.3Å; S2926-S2930 PolarHBondContact O-N 3.06Å; S2926-S2930 PolarHBondContact O-OG 3.36Å |
| 2927 | I | 54.6 | Low | 55.1 | Low | 69 Ų | 69 | 53.3 Ų | 53.3 | 35% | 0.354 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.9 | -42 | 174.4 | -64.6 | 166.5 | 0 | 0 | 0 | 110 | N2884 Y2887 L2888 K2923 T2924 A2925 S2930 T2931 | N2884-I2927 HydrophobicContact CB-CG2 3.74Å; Y2887-I2927 HydrophobicContact CE1-CD1 4.43Å; L2888-I2927 HydrophobicContact CD1-CG2 4.16Å; L2888-I2927 HydrophobicContact CD2-CG2 4.17Å; L2888-I2927 HydrophobicContact CG-CG2 4.17Å; K2923-I2927 WeakPolarHBondContact O-CD1 3.26Å; K2923-I2927 VanDerWaalsContact O-CG1 3.29Å; K2923-I2927 WeakPolarHBondContact O-CG1 3.41Å; K2923-I2927 PolarHBondContact O-N 3.19Å; T2924-I2927 CarbonylContact O-C 3.53Å; T2924-I2927 WeakPolarHBondContact O-CB 3.37Å; T2924-I2927 PolarHBondContact O-N 3.05Å; T2924-I2927 VanDerWaalsContact O-N 3.16Å; A2925-I2927 VanDerWaalsContact C-N 3.34Å; A2925-I2927 PolarHBondContact O-N 3.01Å; I2927-S2930 WeakPolarHBondContact CA-OG 3.37Å; I2927-S2930 WeakPolarHBondContact O-CB 3.49Å; I2927-S2930 PolarHBondContact O-N 3.21Å; I2927-S2930 PolarHBondContact O-OG 3.13Å; I2927-S2930 VanDerWaalsContact O-OG 3.06Å; I2927-T2931 VanDerWaalsContact O-CB 3.24Å; I2927-T2931 WeakPolarHBondContact O-CB 3.45Å; I2927-T2931 PolarHBondContact O-N 2.99Å; I2927-T2931 PolarHBondContact O-OG1 3.28Å |
| 2928 | L | 57.8 | Low | 54.9 | Low | 15.8 Ų | 15.8 | 50.9 Ų | 50.9 | 8% | 0.083 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.2 | -46.6 | 177.1 | -157.3 | 84.5 | 0 | 0 | 0 | 111.4 | L2888 I2892 I2920 T2924 A2925 S2930 T2931 I2932 L2952 I2956 L2977 L2985 | L2888-L2928 HydrophobicContact CD1-CB 4.3Å; L2888-L2928 HydrophobicContact CD1-CD1 4.04Å; L2888-L2928 HydrophobicContact CD2-CB 4.43Å; L2888-L2928 HydrophobicContact CD2-CD1 3.92Å; L2888-L2928 VanDerWaalsContact CD2-CD1 3.49Å; L2888-L2928 HydrophobicContact CG-CD1 4.45Å; I2892-L2928 HydrophobicContact CD1-CD1 4.02Å; I2920-L2928 HydrophobicContact CD1-CD2 4.3Å; T2924-L2928 WeakPolarHBondContact O-CB 3.28Å; T2924-L2928 PolarHBondContact O-N 3.03Å; A2925-L2928 WeakPolarHBondContact O-CB 3.32Å; A2925-L2928 PolarHBondContact O-N 2.89Å; L2928-S2930 VanDerWaalsContact C-N 3.31Å; L2928-S2930 PolarHBondContact O-N 3.28Å; L2928-T2931 CarbonylContact O-C 3.54Å; L2928-T2931 WeakPolarHBondContact O-CB 3.2Å; L2928-T2931 PolarHBondContact O-N 3.11Å; L2928-T2931 VanDerWaalsContact O-N 3.16Å; L2928-I2932 HydrophobicContact CD1-CD1 3.83Å; L2928-I2932 HydrophobicContact CD1-CG1 4.22Å; L2928-I2932 HydrophobicContact CD2-CD1 4Å; L2928-I2932 HydrophobicContact CG-CD1 4.03Å; L2928-I2932 WeakPolarHBondContact O-CB 3.33Å; L2928-I2932 WeakPolarHBondContact O-CD1 3.5Å; L2928-I2932 VanDerWaalsContact O-CG1 3.26Å; L2928-I2932 WeakPolarHBondContact O-CG1 3.32Å; L2928-I2932 PolarHBondContact O-N 3.23Å; L2928-L2952 HydrophobicContact CD2-CD2 4.25Å; L2928-I2956 HydrophobicContact CD2-CD1 3.6Å; L2928-I2956 VanDerWaalsContact CD2-CD1 3.42Å; L2928-I2956 HydrophobicContact CD2-CG1 4.32Å; L2928-I2956 HydrophobicContact CG-CD1 3.8Å; L2928-L2977 HydrophobicContact CD2-CD1 3.99Å; L2928-L2985 HydrophobicContact CD1-CD1 4.08Å; L2928-L2985 HydrophobicContact CD2-CD1 4.23Å; L2928-L2985 HydrophobicContact CG-CD1 4.38Å |
| 2929 | I | 60.2 | Low | 54.4 | Low | 16.6 Ų | 16.6 | 53.1 Ų | 53.1 | 9% | 0.085 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.5 | -49 | 173.8 | -74.4 | 164.4 | 0 | 0 | 0 | 110.6 | A2925 T2931 I2932 R2933 L2953 I2956 N2957 | A2925-I2929 VanDerWaalsContact O-CB 3.26Å; A2925-I2929 WeakPolarHBondContact O-CB 3.34Å; A2925-I2929 VanDerWaalsContact O-CG1 3.28Å; A2925-I2929 WeakPolarHBondContact O-CG1 3.25Å; A2925-I2929 PolarHBondContact O-N 2.95Å; I2929-T2931 VanDerWaalsContact C-N 3.28Å; I2929-T2931 PolarHBondContact O-N 3.02Å; I2929-I2932 PolarHBondContact O-N 3.22Å; I2929-R2933 HydrophobicContact CG2-CG 4.31Å; I2929-R2933 VanDerWaalsContact CG2-CZ 3.43Å; I2929-R2933 VanDerWaalsContact CG2-NE 3.31Å; I2929-R2933 VanDerWaalsContact O-CB 3.28Å; I2929-R2933 WeakPolarHBondContact O-CB 3.27Å; I2929-R2933 WeakPolarHBondContact O-CD 3.46Å; I2929-R2933 VanDerWaalsContact O-CG 3.25Å; I2929-R2933 WeakPolarHBondContact O-CG 3.33Å; I2929-R2933 PolarHBondContact O-N 3.17Å; I2929-L2953 HydrophobicContact CB-CD2 4.26Å; I2929-L2953 HydrophobicContact CG1-CD2 4.02Å; I2929-L2953 HydrophobicContact CG2-CD1 4.28Å; I2929-L2953 HydrophobicContact CG2-CD2 4.1Å; I2929-I2956 HydrophobicContact CD1-CB 4.29Å; I2929-I2956 HydrophobicContact CD1-CG2 3.64Å; I2929-I2956 VanDerWaalsContact CD1-CG2 3.41Å; I2929-I2956 HydrophobicContact CG1-CB 4.33Å; I2929-I2956 HydrophobicContact CG1-CD1 4.05Å; I2929-I2956 HydrophobicContact CG1-CG2 3.86Å; I2929-N2957 WeakPolarHBondContact CD1-OD1 3.39Å |
| 2930 | S | 55.9 | Low | 53.9 | Low | 55.8 Ų | 55.8 | 53.2 Ų | 53.2 | 39% | 0.39 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64 | -38.1 | 179.8 | 103.1 | 0 | 0 | 0 | 0 | 111.8 | S2926 I2927 L2928 R2933 S2934 | S2926-S2930 VanDerWaalsContact O-CB 3.24Å; S2926-S2930 WeakPolarHBondContact O-CB 3.3Å; S2926-S2930 PolarHBondContact O-N 3.06Å; S2926-S2930 PolarHBondContact O-OG 3.36Å; I2927-S2930 WeakPolarHBondContact CA-OG 3.37Å; I2927-S2930 WeakPolarHBondContact O-CB 3.49Å; I2927-S2930 PolarHBondContact O-N 3.21Å; I2927-S2930 PolarHBondContact O-OG 3.13Å; I2927-S2930 VanDerWaalsContact O-OG 3.06Å; L2928-S2930 VanDerWaalsContact C-N 3.31Å; L2928-S2930 PolarHBondContact O-N 3.28Å; S2930-R2933 PolarHBondContact O-N 3.25Å; S2930-S2934 VanDerWaalsContact O-CB 3.26Å; S2930-S2934 WeakPolarHBondContact O-CB 3.4Å; S2930-S2934 PolarHBondContact O-N 3.24Å; S2930-S2934 PolarHBondContact O-OG 3.18Å |
| 2931 | T | 52.6 | Low | 53.5 | Low | 39.4 Ų | 39.4 | 53.5 Ų | 53.5 | 24% | 0.242 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.9 | -45.8 | 177.4 | -54.7 | 0 | 0 | 0 | 0 | 111 | V2881 L2888 I2927 L2928 I2929 R2933 S2934 Y2935 T3000 | V2881-T2931 HydrophobicContact CG1-CG2 4.25Å; L2888-T2931 HydrophobicContact CD1-CG2 3.68Å; L2888-T2931 VanDerWaalsContact CD1-OG1 3.28Å; L2888-T2931 WeakPolarHBondContact CD1-OG1 3.24Å; I2927-T2931 VanDerWaalsContact O-CB 3.24Å; I2927-T2931 WeakPolarHBondContact O-CB 3.45Å; I2927-T2931 PolarHBondContact O-N 2.99Å; I2927-T2931 PolarHBondContact O-OG1 3.28Å; L2928-T2931 CarbonylContact O-C 3.54Å; L2928-T2931 WeakPolarHBondContact O-CB 3.2Å; L2928-T2931 PolarHBondContact O-N 3.11Å; L2928-T2931 VanDerWaalsContact O-N 3.16Å; I2929-T2931 VanDerWaalsContact C-N 3.28Å; I2929-T2931 PolarHBondContact O-N 3.02Å; T2931-R2933 PolarHBondContact O-N 3.11Å; T2931-S2934 CarbonylContact O-C 3.5Å; T2931-S2934 WeakPolarHBondContact O-CB 3.44Å; T2931-S2934 PolarHBondContact O-N 3.25Å; T2931-S2934 VanDerWaalsContact O-N 3.11Å; T2931-Y2935 HydrophobicContact CG2-CD2 4.03Å; T2931-Y2935 HydrophobicContact CG2-CE2 3.9Å; T2931-Y2935 VanDerWaalsContact O-CB 3.24Å; T2931-Y2935 WeakPolarHBondContact O-CB 3.38Å; T2931-Y2935 VanDerWaalsContact O-CD2 3.29Å; T2931-Y2935 WeakPolarHBondContact O-CD2 3.48Å; T2931-Y2935 PolarHBondContact O-N 3.14Å; T2931-T3000 HydrophobicContact CG2-CG2 4.18Å |
| 2932 | I | 56.2 | Low | 53 | Low | 2.6 Ų | 2.6 | 54.7 Ų | 54.7 | 1% | 0.013 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65 | -43.4 | 176.7 | -64.8 | 162.9 | 0 | 0 | 0 | 111.1 | L2928 I2929 S2934 Y2935 L2936 L2949 L2952 L2953 I2956 L2985 | L2928-I2932 HydrophobicContact CD1-CD1 3.83Å; L2928-I2932 HydrophobicContact CD1-CG1 4.22Å; L2928-I2932 HydrophobicContact CD2-CD1 4Å; L2928-I2932 HydrophobicContact CG-CD1 4.03Å; L2928-I2932 WeakPolarHBondContact O-CB 3.33Å; L2928-I2932 WeakPolarHBondContact O-CD1 3.5Å; L2928-I2932 VanDerWaalsContact O-CG1 3.26Å; L2928-I2932 WeakPolarHBondContact O-CG1 3.32Å; L2928-I2932 PolarHBondContact O-N 3.23Å; I2929-I2932 PolarHBondContact O-N 3.22Å; I2932-S2934 VanDerWaalsContact C-N 3.27Å; I2932-S2934 PolarHBondContact O-N 3.2Å; I2932-Y2935 CarbonylContact O-C 3.49Å; I2932-Y2935 WeakPolarHBondContact O-CA 3.31Å; I2932-Y2935 WeakPolarHBondContact O-CB 2.98Å; I2932-Y2935 PolarHBondContact O-N 3.21Å; I2932-Y2935 VanDerWaalsContact O-N 3.14Å; I2932-L2936 HydrophobicContact CG2-CD1 3.96Å; I2932-L2936 HydrophobicContact CG2-CG 4.28Å; I2932-L2936 WeakPolarHBondContact O-CB 3.43Å; I2932-L2936 VanDerWaalsContact O-CG 3.28Å; I2932-L2936 WeakPolarHBondContact O-CG 3.41Å; I2932-L2936 PolarHBondContact O-N 3.11Å; I2932-L2949 HydrophobicContact CG1-CD2 4.3Å; I2932-L2949 HydrophobicContact CG2-CB 4.01Å; I2932-L2949 HydrophobicContact CG2-CD1 4.4Å; I2932-L2949 HydrophobicContact CG2-CD2 3.98Å; I2932-L2949 HydrophobicContact CG2-CG 4.35Å; I2932-L2952 HydrophobicContact CD1-CD2 3.49Å; I2932-L2952 VanDerWaalsContact CD1-CD2 3.44Å; I2932-L2952 HydrophobicContact CD1-CG 3.89Å; I2932-L2952 HydrophobicContact CG1-CD2 4.31Å; I2932-L2953 HydrophobicContact CB-CD1 4.08Å; I2932-L2953 HydrophobicContact CB-CD2 4.1Å; I2932-L2953 HydrophobicContact CB-CG 4.34Å; I2932-L2953 HydrophobicContact CD1-CD2 4.2Å; I2932-L2953 HydrophobicContact CD1-CG 4.41Å; I2932-L2953 HydrophobicContact CG2-CB 4.19Å; I2932-L2953 HydrophobicContact CG2-CD1 3.79Å; I2932-L2953 HydrophobicContact CG2-CD2 4.04Å; I2932-L2953 HydrophobicContact CG2-CG 3.78Å; I2932-I2956 HydrophobicContact CD1-CD1 3.96Å; I2932-L2985 HydrophobicContact CD1-CD1 4.48Å; I2932-L2985 HydrophobicContact CD1-CD2 4.24Å; I2932-L2985 HydrophobicContact CG1-CD1 4.44Å; I2932-L2985 HydrophobicContact CG1-CD2 4.15Å |
| 2933 | R | 58.3 | Low | 52.5 | Low | 112 Ų | 112 | 56.1 Ų | 56.1 | 42% | 0.423 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.7 | -33.4 | 175.4 | -74.7 | 170.3 | 173 | 167.2 | 1.9 | 111.9 | I2929 S2930 T2931 Y2935 K2937 L2953 N2957 | I2929-R2933 HydrophobicContact CG2-CG 4.31Å; I2929-R2933 VanDerWaalsContact CG2-CZ 3.43Å; I2929-R2933 VanDerWaalsContact CG2-NE 3.31Å; I2929-R2933 VanDerWaalsContact O-CB 3.28Å; I2929-R2933 WeakPolarHBondContact O-CB 3.27Å; I2929-R2933 WeakPolarHBondContact O-CD 3.46Å; I2929-R2933 VanDerWaalsContact O-CG 3.25Å; I2929-R2933 WeakPolarHBondContact O-CG 3.33Å; I2929-R2933 PolarHBondContact O-N 3.17Å; S2930-R2933 PolarHBondContact O-N 3.25Å; T2931-R2933 PolarHBondContact O-N 3.11Å; R2933-Y2935 VanDerWaalsContact C-N 3.27Å; R2933-K2937 VanDerWaalsContact O-CB 3.25Å; R2933-K2937 WeakPolarHBondContact O-CB 3.34Å; R2933-K2937 VanDerWaalsContact O-CG 3.24Å; R2933-K2937 WeakPolarHBondContact O-CG 3.42Å; R2933-K2937 PolarHBondContact O-N 2.88Å; R2933-L2953 HydrophobicContact CG-CD1 3.96Å; R2933-L2953 HydrophobicContact CG-CD2 4.28Å; R2933-L2953 HydrophobicContact CG-CG 4.46Å; R2933-N2957 PolarHBondContact NH1-OD1 3.42Å; R2933-N2957 PolarHBondContact NH2-ND2 2.89Å; R2933-N2957 PolarHBondContact NH2-OD1 2.87Å |
| 2934 | S | 52.2 | Low | 52.2 | Low | 51.6 Ų | 51.6 | 55 Ų | 55 | 36% | 0.361 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.5 | -40 | 170.6 | -59 | 0 | 0 | 0 | 0 | 111.4 | S2930 T2931 I2932 L2936 K2937 L2938 | S2930-S2934 VanDerWaalsContact O-CB 3.26Å; S2930-S2934 WeakPolarHBondContact O-CB 3.4Å; S2930-S2934 PolarHBondContact O-N 3.24Å; S2930-S2934 PolarHBondContact O-OG 3.18Å; T2931-S2934 CarbonylContact O-C 3.5Å; T2931-S2934 WeakPolarHBondContact O-CB 3.44Å; T2931-S2934 PolarHBondContact O-N 3.25Å; T2931-S2934 VanDerWaalsContact O-N 3.11Å; I2932-S2934 VanDerWaalsContact C-N 3.27Å; I2932-S2934 PolarHBondContact O-N 3.2Å; S2934-L2936 PolarHBondContact O-N 3.04Å; S2934-K2937 CarbonylContact O-C 3.34Å; S2934-K2937 VanDerWaalsContact O-CA 3.23Å; S2934-K2937 WeakPolarHBondContact O-CA 2.72Å; S2934-K2937 WeakPolarHBondContact O-CB 3.46Å; S2934-K2937 PolarHBondContact O-N 3.13Å; S2934-K2937 VanDerWaalsContact O-N 3.13Å; S2934-L2938 VanDerWaalsContact O-CB 3.29Å; S2934-L2938 WeakPolarHBondContact O-CB 3.29Å; S2934-L2938 WeakPolarHBondContact O-CD1 3.49Å; S2934-L2938 VanDerWaalsContact O-CG 3.25Å; S2934-L2938 WeakPolarHBondContact O-CG 3.33Å; S2934-L2938 PolarHBondContact O-N 2.96Å; S2934-L2938 VanDerWaalsContact O-N 3.15Å |
| 2935 | Y | 50.9 | Low | 52 | Low | 37.6 Ų | 37.6 | 55.5 Ų | 55.5 | 15% | 0.147 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.9 | -44 | 177.3 | -134.7 | -85.9 | 0 | 0 | 0 | 112.9 | T2931 I2932 R2933 K2937 L2938 K2939 L2941 L2949 L2985 I2988 I2992 T3000 | T2931-Y2935 HydrophobicContact CG2-CD2 4.03Å; T2931-Y2935 HydrophobicContact CG2-CE2 3.9Å; T2931-Y2935 VanDerWaalsContact O-CB 3.24Å; T2931-Y2935 WeakPolarHBondContact O-CB 3.38Å; T2931-Y2935 VanDerWaalsContact O-CD2 3.29Å; T2931-Y2935 WeakPolarHBondContact O-CD2 3.48Å; T2931-Y2935 PolarHBondContact O-N 3.14Å; I2932-Y2935 CarbonylContact O-C 3.49Å; I2932-Y2935 WeakPolarHBondContact O-CA 3.31Å; I2932-Y2935 WeakPolarHBondContact O-CB 2.98Å; I2932-Y2935 PolarHBondContact O-N 3.21Å; I2932-Y2935 VanDerWaalsContact O-N 3.14Å; R2933-Y2935 VanDerWaalsContact C-N 3.27Å; Y2935-K2937 VanDerWaalsContact C-N 3.27Å; Y2935-K2937 PolarHBondContact O-N 3.28Å; Y2935-K2937 VanDerWaalsContact O-N 3.14Å; Y2935-L2938 HydrophobicContact CD1-CD1 3.77Å; Y2935-L2938 HydrophobicContact CD2-CB 4.48Å; Y2935-L2938 HydrophobicContact CE1-CD1 4.45Å; Y2935-L2938 VanDerWaalsContact O-CB 3.25Å; Y2935-L2938 WeakPolarHBondContact O-CB 3.47Å; Y2935-L2938 WeakPolarHBondContact O-CG 3.47Å; Y2935-L2938 PolarHBondContact O-N 3.08Å; Y2935-L2938 VanDerWaalsContact O-N 3.14Å; Y2935-K2939 HydrophobicContact CD1-CD 4.37Å; Y2935-K2939 HydrophobicContact CD1-CG 4.38Å; Y2935-K2939 HydrophobicContact CE1-CD 4.2Å; Y2935-K2939 HydrophobicContact CE1-CG 4.34Å; Y2935-K2939 HydrophobicContact CE2-CB 4.22Å; Y2935-K2939 HydrophobicContact CE2-CD 3.96Å; Y2935-K2939 HydrophobicContact CE2-CG 4.2Å; Y2935-K2939 PolarHBondContact O-N 3.04Å; Y2935-K2939 VanDerWaalsContact O-N 3.12Å; Y2935-K2939 VanDerWaalsContact OH-CB 3.3Å; Y2935-K2939 WeakPolarHBondContact OH-CB 3.14Å; Y2935-K2939 WeakPolarHBondContact OH-CD 2.89Å; Y2935-K2939 WeakPolarHBondContact OH-CG 3.07Å; Y2935-L2941 HydrophobicContact CD1-CD1 4.01Å; Y2935-L2941 HydrophobicContact CD1-CD2 4.04Å; Y2935-L2941 HydrophobicContact CE1-CD1 4.06Å; Y2935-L2941 HydrophobicContact CE1-CD2 3.82Å; Y2935-L2941 HydrophobicContact CE1-CG 4.37Å; Y2935-L2941 WeakPolarHBondContact O-CD1 3.36Å; Y2935-L2949 HydrophobicContact CD1-CD1 4.04Å; Y2935-L2949 HydrophobicContact CE1-CD1 4.18Å; Y2935-L2985 HydrophobicContact CD2-CD2 3.92Å; Y2935-L2985 HydrophobicContact CE2-CD2 3.95Å; Y2935-I2988 HydrophobicContact CD1-CG2 4.2Å; Y2935-I2988 HydrophobicContact CE1-CD1 4.36Å; Y2935-I2988 HydrophobicContact CE1-CG2 3.99Å; Y2935-I2988 HydrophobicContact CE2-CG2 4.24Å; Y2935-I2988 HydrophobicContact CG-CG2 4.26Å; Y2935-I2988 WeakPolarHBondContact OH-CG2 3.32Å; Y2935-I2992 HydrophobicContact CD1-CD1 3.79Å; Y2935-I2992 HydrophobicContact CE1-CD1 3.53Å; Y2935-I2992 HydrophobicContact CE1-CG1 3.56Å; Y2935-I2992 HydrophobicContact CE2-CD1 4.14Å; Y2935-I2992 VanDerWaalsContact OH-CD1 3.27Å; Y2935-I2992 WeakPolarHBondContact OH-CD1 3.25Å; Y2935-I2992 WeakPolarHBondContact OH-CG1 3.34Å; Y2935-I2992 WeakPolarHBondContact OH-CG2 3.47Å; Y2935-T3000 HydrophobicContact CD2-CG2 3.65Å; Y2935-T3000 HydrophobicContact CG-CG2 4.26Å |
| 2936 | L | 51.6 | Low | 51.7 | Low | 27.4 Ų | 27.4 | 58.2 Ų | 58.2 | 14% | 0.143 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.6 | -26.9 | 172.3 | -73.1 | 166.9 | 0 | 0 | 0 | 112.5 | I2932 S2934 L2938 L2941 M2946 L2949 F2950 L2953 Y3082 | I2932-L2936 HydrophobicContact CG2-CD1 3.96Å; I2932-L2936 HydrophobicContact CG2-CG 4.28Å; I2932-L2936 WeakPolarHBondContact O-CB 3.43Å; I2932-L2936 VanDerWaalsContact O-CG 3.28Å; I2932-L2936 WeakPolarHBondContact O-CG 3.41Å; I2932-L2936 PolarHBondContact O-N 3.11Å; S2934-L2936 PolarHBondContact O-N 3.04Å; L2936-L2938 VanDerWaalsContact C-N 3.26Å; L2936-L2938 PolarHBondContact O-N 3.49Å; L2936-L2941 HydrophobicContact CD2-CD1 3.88Å; L2936-L2941 HydrophobicContact CG-CD1 4.4Å; L2936-M2946 HydrophobicContact CD2-CB 4.38Å; L2936-M2946 HydrophobicContact CD2-CG 4.07Å; L2936-M2946 HydrophobicContact CD2-SD 3.73Å; L2936-M2946 WeakPolarHBondContact CD2-SD 3.36Å; L2936-L2949 HydrophobicContact CD1-CB 4.26Å; L2936-L2949 HydrophobicContact CD2-CB 4.12Å; L2936-L2949 HydrophobicContact CD2-CD1 3.97Å; L2936-L2949 HydrophobicContact CG-CB 4.27Å; L2936-L2949 HydrophobicContact CG-CD1 4.16Å; L2936-F2950 HydrophobicContact CD1-CD1 4.12Å; L2936-F2950 HydrophobicContact CD1-CE1 4.18Å; L2936-F2950 HydrophobicContact CD1-CE2 4.4Å; L2936-F2950 HydrophobicContact CD1-CZ 4.19Å; L2936-F2950 HydrophobicContact CD2-CD2 4.31Å; L2936-F2950 HydrophobicContact CD2-CE2 4.17Å; L2936-F2950 HydrophobicContact CD2-CZ 4.37Å; L2936-L2953 HydrophobicContact CD1-CD1 3.79Å; L2936-Y3082 WeakPolarHBondContact CB-OH 3.42Å |
| 2937 | K | 50 | Low | 51.5 | Low | 130.6 Ų | 130.6 | 60 Ų | 60 | 57% | 0.568 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -81.8 | -17.1 | 172.3 | -88.2 | 177.6 | -180 | -176.3 | 0 | 113.1 | R2933 S2934 Y2935 F3083 Y3148 Y3186 | R2933-K2937 VanDerWaalsContact O-CB 3.25Å; R2933-K2937 WeakPolarHBondContact O-CB 3.34Å; R2933-K2937 VanDerWaalsContact O-CG 3.24Å; R2933-K2937 WeakPolarHBondContact O-CG 3.42Å; R2933-K2937 PolarHBondContact O-N 2.88Å; S2934-K2937 CarbonylContact O-C 3.34Å; S2934-K2937 VanDerWaalsContact O-CA 3.23Å; S2934-K2937 WeakPolarHBondContact O-CA 2.72Å; S2934-K2937 WeakPolarHBondContact O-CB 3.46Å; S2934-K2937 PolarHBondContact O-N 3.13Å; S2934-K2937 VanDerWaalsContact O-N 3.13Å; Y2935-K2937 VanDerWaalsContact C-N 3.27Å; Y2935-K2937 PolarHBondContact O-N 3.28Å; Y2935-K2937 VanDerWaalsContact O-N 3.14Å; K2937-F3083 HydrophobicContact CB-CE1 4.15Å; K2937-F3083 HydrophobicContact CB-CZ 4.1Å; K2937-F3083 HydrophobicContact CD-CE1 4.07Å; K2937-F3083 HydrophobicContact CD-CZ 4.32Å; K2937-F3083 HydrophobicContact CG-CE1 3.94Å; K2937-F3083 HydrophobicContact CG-CZ 3.77Å; K2937-Y3148 WeakPolarHBondContact O-CE1 3.35Å; K2937-Y3186 VanDerWaalsContact O-CE1 3.31Å; K2937-Y3186 WeakPolarHBondContact O-CE1 3.41Å; K2937-Y3186 PolarHBondContact O-OH 3.49Å |
| 2938 | L | 42.9 | Very low | 51.6 | Low | 63 Ų | 63 | 58.2 Ų | 58.2 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -102.8 | -14.2 | -174.4 | -68.5 | 171 | 0 | 0 | 0 | 114.3 | F2066 L2878 S2934 Y2935 L2936 L2941 I2992 T3000 Y3148 L3151 T3190 | F2066-L2938 HydrophobicContact CE1-CD2 4.5Å; L2878-L2938 HydrophobicContact CD2-CD1 4.29Å; L2878-L2938 HydrophobicContact CG-CD1 4.37Å; S2934-L2938 VanDerWaalsContact O-CB 3.29Å; S2934-L2938 WeakPolarHBondContact O-CB 3.29Å; S2934-L2938 WeakPolarHBondContact O-CD1 3.49Å; S2934-L2938 VanDerWaalsContact O-CG 3.25Å; S2934-L2938 WeakPolarHBondContact O-CG 3.33Å; S2934-L2938 PolarHBondContact O-N 2.96Å; S2934-L2938 VanDerWaalsContact O-N 3.15Å; Y2935-L2938 HydrophobicContact CD1-CD1 3.77Å; Y2935-L2938 HydrophobicContact CD2-CB 4.48Å; Y2935-L2938 HydrophobicContact CE1-CD1 4.45Å; Y2935-L2938 VanDerWaalsContact O-CB 3.25Å; Y2935-L2938 WeakPolarHBondContact O-CB 3.47Å; Y2935-L2938 WeakPolarHBondContact O-CG 3.47Å; Y2935-L2938 PolarHBondContact O-N 3.08Å; Y2935-L2938 VanDerWaalsContact O-N 3.14Å; L2936-L2938 VanDerWaalsContact C-N 3.26Å; L2936-L2938 PolarHBondContact O-N 3.49Å; L2938-L2941 PolarHBondContact O-N 2.9Å; L2938-I2992 HydrophobicContact CD1-CD1 3.52Å; L2938-I2992 HydrophobicContact CD1-CG1 4.29Å; L2938-T3000 HydrophobicContact CD1-CG2 4.46Å; L2938-Y3148 HydrophobicContact CB-CE1 4.4Å; L2938-Y3148 HydrophobicContact CD1-CE1 4.06Å; L2938-Y3148 HydrophobicContact CD2-CD1 3.81Å; L2938-Y3148 HydrophobicContact CD2-CE1 3.47Å; L2938-Y3148 VanDerWaalsContact CD2-CE1 3.47Å; L2938-Y3148 HydrophobicContact CG-CE1 4.15Å; L2938-L3151 HydrophobicContact CD2-CD1 4.41Å; L2938-T3190 HydrophobicContact CD2-CG2 4.3Å |
| 2939 | K | 44.9 | Very low | 51.7 | Low | 78.4 Ų | 78.4 | 57.5 Ų | 57.5 | 34% | 0.341 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -121.4 | 138.2 | 179.1 | -88 | -160 | 174.9 | -172.7 | 0 | 112.8 | Y2935 L2941 I2992 S2994 S2997 | Y2935-K2939 HydrophobicContact CD1-CD 4.37Å; Y2935-K2939 HydrophobicContact CD1-CG 4.38Å; Y2935-K2939 HydrophobicContact CE1-CD 4.2Å; Y2935-K2939 HydrophobicContact CE1-CG 4.34Å; Y2935-K2939 HydrophobicContact CE2-CB 4.22Å; Y2935-K2939 HydrophobicContact CE2-CD 3.96Å; Y2935-K2939 HydrophobicContact CE2-CG 4.2Å; Y2935-K2939 PolarHBondContact O-N 3.04Å; Y2935-K2939 VanDerWaalsContact O-N 3.12Å; Y2935-K2939 VanDerWaalsContact OH-CB 3.3Å; Y2935-K2939 WeakPolarHBondContact OH-CB 3.14Å; Y2935-K2939 WeakPolarHBondContact OH-CD 2.89Å; Y2935-K2939 WeakPolarHBondContact OH-CG 3.07Å; K2939-L2941 HydrophobicContact CB-CD2 4.48Å; K2939-L2941 HydrophobicContact CB-CG 4.3Å; K2939-L2941 PolarHBondContact O-N 3.24Å; K2939-L2941 VanDerWaalsContact O-N 3.15Å; K2939-I2992 HydrophobicContact CD-CG1 4.17Å; K2939-I2992 HydrophobicContact CD-CG2 4.19Å; K2939-I2992 PolarHBondContact NZ-O 3.27Å; K2939-I2992 VanDerWaalsContact NZ-O 3.14Å; K2939-S2994 PolarHBondContact NZ-OG 2.89Å; K2939-S2997 WeakPolarHBondContact CE-OG 3.2Å; K2939-S2997 PolarHBondContact NZ-OG 3.39Å |
| 2940 | P | 44 | Very low | 51.8 | Low | 83.8 Ų | 83.8 | 61.2 Ų | 61.2 | 54% | 0.544 | 32% | 0.32 | S | S | . | . | trans | -89.2 | 90.8 | 159 | 31.6 | -23.7 | 0 | 0 | 0 | 108.9 | Q2995 K3144 | P2940-Q2995 VanDerWaalsContact CD-OE1 3.27Å; P2940-K3144 HydrophobicContact CG-CD 4.4Å | ||
| 2941 | L | 50 | Low | 52.2 | Low | 19 Ų | 19 | 61.4 Ų | 61.4 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | trans | -80.1 | 139.6 | 177.5 | -69.4 | 160 | 0 | 0 | 0 | 109.5 | Y2935 L2936 L2938 K2939 Q2945 M2946 L2949 I2988 | Y2935-L2941 HydrophobicContact CD1-CD1 4.01Å; Y2935-L2941 HydrophobicContact CD1-CD2 4.04Å; Y2935-L2941 HydrophobicContact CE1-CD1 4.06Å; Y2935-L2941 HydrophobicContact CE1-CD2 3.82Å; Y2935-L2941 HydrophobicContact CE1-CG 4.37Å; Y2935-L2941 WeakPolarHBondContact O-CD1 3.36Å; L2936-L2941 HydrophobicContact CD2-CD1 3.88Å; L2936-L2941 HydrophobicContact CG-CD1 4.4Å; L2938-L2941 PolarHBondContact O-N 2.9Å; K2939-L2941 HydrophobicContact CB-CD2 4.48Å; K2939-L2941 HydrophobicContact CB-CG 4.3Å; K2939-L2941 PolarHBondContact O-N 3.24Å; K2939-L2941 VanDerWaalsContact O-N 3.15Å; L2941-Q2945 HydrophobicContact CB-CB 4.09Å; L2941-Q2945 HydrophobicContact CD2-CB 4.02Å; L2941-Q2945 HydrophobicContact CD2-CG 4.39Å; L2941-Q2945 HydrophobicContact CG-CB 4.42Å; L2941-M2946 HydrophobicContact CB-CB 4.48Å; L2941-M2946 HydrophobicContact CB-CG 3.86Å; L2941-M2946 HydrophobicContact CB-SD 4.17Å; L2941-M2946 HydrophobicContact CD1-CG 4.18Å; L2941-M2946 HydrophobicContact CD1-SD 4.41Å; L2941-M2946 WeakPolarHBondContact O-CE 3.3Å; L2941-L2949 HydrophobicContact CD1-CD1 3.72Å; L2941-L2949 HydrophobicContact CD2-CD1 4.11Å; L2941-L2949 HydrophobicContact CG-CD1 4.3Å; L2941-I2988 HydrophobicContact CD2-CB 4.31Å; L2941-I2988 HydrophobicContact CD2-CD1 3.79Å; L2941-I2988 HydrophobicContact CD2-CG1 3.8Å; L2941-I2988 HydrophobicContact CD2-CG2 3.88Å | ||
| 2942 | T | 48.8 | Very low | 52.8 | Low | 73.8 Ų | 73.8 | 59.6 Ų | 59.6 | 45% | 0.453 | 31% | 0.31 | S | S | . | . | trans | -60.4 | 153.4 | 170.8 | 59.8 | 0 | 0 | 0 | 0 | 109.9 | I2944 Q2945 M2946 T3005 | T2942-I2944 PolarHBondContact O-N 3.11Å; T2942-I2944 VanDerWaalsContact O-N 3.12Å; T2942-Q2945 VanDerWaalsContact N-OE1 3.1Å; T2942-Q2945 CarbonylContact O-C 3.44Å; T2942-Q2945 WeakPolarHBondContact O-CA 3.36Å; T2942-Q2945 WeakPolarHBondContact O-CB 3.33Å; T2942-Q2945 PolarHBondContact O-N 3.22Å; T2942-Q2945 WeakPolarHBondContact OG1-CB 3.42Å; T2942-Q2945 VanDerWaalsContact OG1-CD 3.26Å; T2942-Q2945 VanDerWaalsContact OG1-CG 3.25Å; T2942-Q2945 WeakPolarHBondContact OG1-CG 3.26Å; T2942-Q2945 PolarHBondContact OG1-N 3.04Å; T2942-Q2945 PolarHBondContact OG1-OE1 3.07Å; T2942-M2946 WeakPolarHBondContact O-CG 3.4Å; T2942-M2946 PolarHBondContact O-N 2.97Å; T2942-T3005 HydrophobicContact CG2-CG2 4.39Å | ||
| 2943 | T | 47.2 | Very low | 53.4 | Low | 83 Ų | 83 | 60 Ų | 60 | 51% | 0.509 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -55 | -34.5 | -178.4 | -40.8 | 0 | 0 | 0 | 0 | 112.2 | M2946 I2947 L3008 N3009 I3012 I3030 S3033 A3034 | T2943-M2946 PolarHBondContact O-N 3.02Å; T2943-I2947 HydrophobicContact CG2-CD1 4.02Å; T2943-I2947 HydrophobicContact CG2-CG1 4.44Å; T2943-I2947 WeakPolarHBondContact O-CB 3.32Å; T2943-I2947 WeakPolarHBondContact O-CD1 3.45Å; T2943-I2947 VanDerWaalsContact O-CG1 3.26Å; T2943-I2947 WeakPolarHBondContact O-CG1 3.41Å; T2943-I2947 PolarHBondContact O-N 3.04Å; T2943-L3008 HydrophobicContact CG2-CD2 4.28Å; T2943-N3009 WeakPolarHBondContact CB-OD1 3.23Å; T2943-N3009 PolarHBondContact OG1-OD1 3.21Å; T2943-I3012 HydrophobicContact CG2-CD1 3.47Å; T2943-I3012 VanDerWaalsContact CG2-CD1 3.47Å; T2943-I3030 HydrophobicContact CG2-CG2 4.05Å; T2943-S3033 WeakPolarHBondContact CG2-OG 3.09Å; T2943-S3033 VanDerWaalsContact OG1-CB 3.31Å; T2943-S3033 WeakPolarHBondContact OG1-CB 3.33Å; T2943-S3033 PolarHBondContact OG1-OG 2.73Å; T2943-A3034 PolarHBondContact OG1-N 3.15Å |
| 2944 | I | 47.7 | Very low | 53.8 | Low | 112 Ų | 112 | 60.8 Ų | 60.8 | 57% | 0.574 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.8 | -47.3 | 174.5 | -60.3 | 172.6 | 0 | 0 | 0 | 111.1 | T2942 M2946 I2947 S2948 M3001 C3004 L3008 | T2942-I2944 PolarHBondContact O-N 3.11Å; T2942-I2944 VanDerWaalsContact O-N 3.12Å; I2944-M2946 VanDerWaalsContact C-N 3.34Å; I2944-M2946 PolarHBondContact O-N 3.21Å; I2944-I2947 PolarHBondContact O-N 3.21Å; I2944-S2948 VanDerWaalsContact O-CB 3.32Å; I2944-S2948 WeakPolarHBondContact O-CB 3.31Å; I2944-S2948 PolarHBondContact O-N 3.01Å; I2944-S2948 VanDerWaalsContact O-N 3.15Å; I2944-S2948 PolarHBondContact O-OG 3.1Å; I2944-M3001 HydrophobicContact CB-CE 4.43Å; I2944-M3001 HydrophobicContact CD1-CE 4.01Å; I2944-M3001 HydrophobicContact CD1-SD 4.38Å; I2944-M3001 HydrophobicContact CG2-CE 4.3Å; I2944-C3004 HydrophobicContact CD1-CB 4.2Å; I2944-L3008 HydrophobicContact CG1-CD2 3.69Å |
| 2945 | Q | 51.7 | Low | 54.6 | Low | 34 Ų | 34 | 60.3 Ų | 60.3 | 16% | 0.159 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67 | -37.6 | 177.5 | -69.2 | 165.1 | -39 | 0 | 0 | 112.2 | L2941 T2942 S2948 L2949 I2988 S2991 | L2941-Q2945 HydrophobicContact CB-CB 4.09Å; L2941-Q2945 HydrophobicContact CD2-CB 4.02Å; L2941-Q2945 HydrophobicContact CD2-CG 4.39Å; L2941-Q2945 HydrophobicContact CG-CB 4.42Å; T2942-Q2945 VanDerWaalsContact N-OE1 3.1Å; T2942-Q2945 CarbonylContact O-C 3.44Å; T2942-Q2945 WeakPolarHBondContact O-CA 3.36Å; T2942-Q2945 WeakPolarHBondContact O-CB 3.33Å; T2942-Q2945 PolarHBondContact O-N 3.22Å; T2942-Q2945 WeakPolarHBondContact OG1-CB 3.42Å; T2942-Q2945 VanDerWaalsContact OG1-CD 3.26Å; T2942-Q2945 VanDerWaalsContact OG1-CG 3.25Å; T2942-Q2945 WeakPolarHBondContact OG1-CG 3.26Å; T2942-Q2945 PolarHBondContact OG1-N 3.04Å; T2942-Q2945 PolarHBondContact OG1-OE1 3.07Å; Q2945-S2948 WeakPolarHBondContact O-CB 3.48Å; Q2945-S2948 PolarHBondContact O-N 3.18Å; Q2945-L2949 WeakPolarHBondContact O-CG 3.29Å; Q2945-L2949 PolarHBondContact O-N 3Å; Q2945-L2949 VanDerWaalsContact O-N 3.13Å; Q2945-I2988 HydrophobicContact CB-CD1 4.17Å; Q2945-I2988 HydrophobicContact CB-CG1 4.12Å; Q2945-I2988 HydrophobicContact CG-CD1 4.37Å; Q2945-I2988 HydrophobicContact CG-CG1 4.09Å; Q2945-I2988 WeakPolarHBondContact O-CD1 3.48Å; Q2945-S2991 PolarHBondContact NE2-OG 2.91Å |
| 2946 | M | 51.5 | Low | 55.3 | Low | 59.8 Ų | 59.8 | 58.6 Ų | 58.6 | 30% | 0.295 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.7 | -50.5 | 174.1 | -84.6 | -138.3 | -70.8 | 0 | 0 | 111.6 | L2936 L2941 T2942 T2943 I2944 S2948 L2949 F2950 A3029 | L2936-M2946 HydrophobicContact CD2-CB 4.38Å; L2936-M2946 HydrophobicContact CD2-CG 4.07Å; L2936-M2946 HydrophobicContact CD2-SD 3.73Å; L2936-M2946 WeakPolarHBondContact CD2-SD 3.36Å; L2941-M2946 HydrophobicContact CB-CB 4.48Å; L2941-M2946 HydrophobicContact CB-CG 3.86Å; L2941-M2946 HydrophobicContact CB-SD 4.17Å; L2941-M2946 HydrophobicContact CD1-CG 4.18Å; L2941-M2946 HydrophobicContact CD1-SD 4.41Å; L2941-M2946 WeakPolarHBondContact O-CE 3.3Å; T2942-M2946 WeakPolarHBondContact O-CG 3.4Å; T2942-M2946 PolarHBondContact O-N 2.97Å; T2943-M2946 PolarHBondContact O-N 3.02Å; I2944-M2946 VanDerWaalsContact C-N 3.34Å; I2944-M2946 PolarHBondContact O-N 3.21Å; M2946-S2948 VanDerWaalsContact C-N 3.27Å; M2946-S2948 PolarHBondContact O-N 3.02Å; M2946-L2949 PolarHBondContact O-N 3.1Å; M2946-L2949 VanDerWaalsContact O-N 3.11Å; M2946-F2950 HydrophobicContact CB-CD2 4.34Å; M2946-F2950 HydrophobicContact CB-CE2 4.42Å; M2946-F2950 HydrophobicContact CE-CE2 3.89Å; M2946-F2950 HydrophobicContact CG-CD2 4.38Å; M2946-F2950 HydrophobicContact CG-CE2 4.22Å; M2946-F2950 WeakPolarHBondContact O-CB 3.35Å; M2946-F2950 VanDerWaalsContact O-CD2 3.27Å; M2946-F2950 WeakPolarHBondContact O-CD2 3.25Å; M2946-F2950 PolarHBondContact O-N 3.22Å; M2946-F2950 HydrophobicContact SD-CE2 4.39Å; M2946-A3029 HydrophobicContact CE-CB 3.88Å; M2946-A3029 VanDerWaalsContact CE-O 3.26Å; M2946-A3029 WeakPolarHBondContact CE-O 3.46Å |
| 2947 | I | 53.4 | Low | 56.1 | Low | 95.4 Ų | 95.4 | 59.3 Ų | 59.3 | 49% | 0.489 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.9 | -42.7 | 177.5 | -70.5 | 164.8 | 0 | 0 | 0 | 110.4 | T2943 I2944 L2949 F2950 S2951 L3008 I3030 | T2943-I2947 HydrophobicContact CG2-CD1 4.02Å; T2943-I2947 HydrophobicContact CG2-CG1 4.44Å; T2943-I2947 WeakPolarHBondContact O-CB 3.32Å; T2943-I2947 WeakPolarHBondContact O-CD1 3.45Å; T2943-I2947 VanDerWaalsContact O-CG1 3.26Å; T2943-I2947 WeakPolarHBondContact O-CG1 3.41Å; T2943-I2947 PolarHBondContact O-N 3.04Å; I2944-I2947 PolarHBondContact O-N 3.21Å; I2947-L2949 VanDerWaalsContact C-N 3.32Å; I2947-L2949 PolarHBondContact O-N 3.1Å; I2947-F2950 PolarHBondContact O-N 2.88Å; I2947-S2951 VanDerWaalsContact O-CB 3.28Å; I2947-S2951 WeakPolarHBondContact O-CB 3.45Å; I2947-S2951 PolarHBondContact O-N 3.26Å; I2947-L3008 HydrophobicContact CD1-CD2 4.03Å; I2947-I3030 HydrophobicContact CD1-CG2 4.46Å; I2947-I3030 HydrophobicContact CG1-CD1 3.95Å; I2947-I3030 HydrophobicContact CG1-CG1 4.07Å; I2947-I3030 HydrophobicContact CG1-CG2 4.36Å |
| 2948 | S | 56 | Low | 57 | Low | 31 Ų | 31 | 55.7 Ų | 55.7 | 22% | 0.217 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 178.7 | -57.3 | 0 | 0 | 0 | 0 | 112.9 | I2944 Q2945 M2946 L2952 P2984 | I2944-S2948 VanDerWaalsContact O-CB 3.32Å; I2944-S2948 WeakPolarHBondContact O-CB 3.31Å; I2944-S2948 PolarHBondContact O-N 3.01Å; I2944-S2948 VanDerWaalsContact O-N 3.15Å; I2944-S2948 PolarHBondContact O-OG 3.1Å; Q2945-S2948 WeakPolarHBondContact O-CB 3.48Å; Q2945-S2948 PolarHBondContact O-N 3.18Å; M2946-S2948 VanDerWaalsContact C-N 3.27Å; M2946-S2948 PolarHBondContact O-N 3.02Å; S2948-L2952 PolarHBondContact O-N 2.98Å; S2948-L2952 VanDerWaalsContact O-N 3.11Å; S2948-P2984 VanDerWaalsContact O-CB 3.3Å; S2948-P2984 WeakPolarHBondContact O-CB 3.38Å; S2948-P2984 WeakPolarHBondContact O-CG 3.34Å |
| 2949 | L | 59.5 | Low | 58.1 | Low | 1.6 Ų | 1.6 | 54.6 Ų | 54.6 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -74.4 | -35.1 | 176.1 | -72.5 | 177 | 0 | 0 | 0 | 113.1 | I2932 Y2935 L2936 L2941 Q2945 M2946 I2947 L2952 L2953 L2985 I2988 | I2932-L2949 HydrophobicContact CG1-CD2 4.3Å; I2932-L2949 HydrophobicContact CG2-CB 4.01Å; I2932-L2949 HydrophobicContact CG2-CD1 4.4Å; I2932-L2949 HydrophobicContact CG2-CD2 3.98Å; I2932-L2949 HydrophobicContact CG2-CG 4.35Å; Y2935-L2949 HydrophobicContact CD1-CD1 4.04Å; Y2935-L2949 HydrophobicContact CE1-CD1 4.18Å; L2936-L2949 HydrophobicContact CD1-CB 4.26Å; L2936-L2949 HydrophobicContact CD2-CB 4.12Å; L2936-L2949 HydrophobicContact CD2-CD1 3.97Å; L2936-L2949 HydrophobicContact CG-CB 4.27Å; L2936-L2949 HydrophobicContact CG-CD1 4.16Å; L2941-L2949 HydrophobicContact CD1-CD1 3.72Å; L2941-L2949 HydrophobicContact CD2-CD1 4.11Å; L2941-L2949 HydrophobicContact CG-CD1 4.3Å; Q2945-L2949 WeakPolarHBondContact O-CG 3.29Å; Q2945-L2949 PolarHBondContact O-N 3Å; Q2945-L2949 VanDerWaalsContact O-N 3.13Å; M2946-L2949 PolarHBondContact O-N 3.1Å; M2946-L2949 VanDerWaalsContact O-N 3.11Å; I2947-L2949 VanDerWaalsContact C-N 3.32Å; I2947-L2949 PolarHBondContact O-N 3.1Å; L2949-L2952 PolarHBondContact O-N 3.23Å; L2949-L2953 WeakPolarHBondContact O-CB 3.19Å; L2949-L2953 WeakPolarHBondContact O-CG 3.3Å; L2949-L2953 PolarHBondContact O-N 3.13Å; L2949-L2985 HydrophobicContact CD2-CD2 4.18Å; L2949-L2985 HydrophobicContact CD2-CG 4.34Å; L2949-I2988 HydrophobicContact CD1-CD1 3.69Å; L2949-I2988 VanDerWaalsContact CD1-CD1 3.4Å; L2949-I2988 HydrophobicContact CD2-CD1 3.71Å; L2949-I2988 HydrophobicContact CG-CD1 3.58Å |
| 2950 | F | 62.4 | Low | 59 | Low | 93.8 Ų | 93.8 | 51.8 Ų | 51.8 | 41% | 0.411 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.8 | -42.9 | 174 | -83.9 | -65.8 | 0 | 0 | 0 | 111.4 | L2936 M2946 I2947 L2952 L2953 E2954 T3026 A3029 I3030 Y3082 | L2936-F2950 HydrophobicContact CD1-CD1 4.12Å; L2936-F2950 HydrophobicContact CD1-CE1 4.18Å; L2936-F2950 HydrophobicContact CD1-CE2 4.4Å; L2936-F2950 HydrophobicContact CD1-CZ 4.19Å; L2936-F2950 HydrophobicContact CD2-CD2 4.31Å; L2936-F2950 HydrophobicContact CD2-CE2 4.17Å; L2936-F2950 HydrophobicContact CD2-CZ 4.37Å; M2946-F2950 HydrophobicContact CB-CD2 4.34Å; M2946-F2950 HydrophobicContact CB-CE2 4.42Å; M2946-F2950 HydrophobicContact CE-CE2 3.89Å; M2946-F2950 HydrophobicContact CG-CD2 4.38Å; M2946-F2950 HydrophobicContact CG-CE2 4.22Å; M2946-F2950 WeakPolarHBondContact O-CB 3.35Å; M2946-F2950 VanDerWaalsContact O-CD2 3.27Å; M2946-F2950 WeakPolarHBondContact O-CD2 3.25Å; M2946-F2950 PolarHBondContact O-N 3.22Å; M2946-F2950 HydrophobicContact SD-CE2 4.39Å; I2947-F2950 PolarHBondContact O-N 2.88Å; F2950-L2952 VanDerWaalsContact C-N 3.32Å; F2950-L2952 PolarHBondContact O-N 2.9Å; F2950-L2953 HydrophobicContact CD1-CD1 4.4Å; F2950-L2953 WeakPolarHBondContact O-CB 2.95Å; F2950-L2953 PolarHBondContact O-N 3.2Å; F2950-E2954 VanDerWaalsContact O-CB 3.28Å; F2950-E2954 WeakPolarHBondContact O-CB 3.32Å; F2950-E2954 PolarHBondContact O-N 3.07Å; F2950-T3026 HydrophobicContact CD1-CG2 4.23Å; F2950-A3029 HydrophobicContact CE1-CB 4.33Å; F2950-A3029 HydrophobicContact CE2-CB 3.51Å; F2950-A3029 HydrophobicContact CZ-CB 3.32Å; F2950-I3030 HydrophobicContact CD2-CG1 4.2Å; F2950-Y3082 HydrophobicContact CE1-CE2 4.25Å; F2950-Y3082 AromaticContact CZ-CE2 3.85Å; F2950-Y3082 HydrophobicContact CZ-CE2 3.85Å |
| 2951 | S | 63.8 | Low | 59.6 | Low | 59.8 Ų | 59.8 | 54.2 Ų | 54.2 | 42% | 0.418 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.2 | -42.2 | 173.9 | 175.3 | 0 | 0 | 0 | 0 | 112.2 | I2947 E2954 N2955 | I2947-S2951 VanDerWaalsContact O-CB 3.28Å; I2947-S2951 WeakPolarHBondContact O-CB 3.45Å; I2947-S2951 PolarHBondContact O-N 3.26Å; S2951-E2954 PolarHBondContact O-N 3.31Å; S2951-N2955 VanDerWaalsContact O-CB 3.28Å; S2951-N2955 WeakPolarHBondContact O-CB 3.39Å; S2951-N2955 PolarHBondContact O-N 3.04Å |
| 2952 | L | 66.4 | Low | 59.9 | Low | 1.4 Ų | 1.4 | 57.2 Ų | 57.2 | 1% | 0.007 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 175 | 173.4 | 76 | 0 | 0 | 0 | 111.9 | L2928 I2932 S2948 L2949 F2950 E2954 N2955 I2956 L2977 D2981 P2984 L2985 | L2928-L2952 HydrophobicContact CD2-CD2 4.25Å; I2932-L2952 HydrophobicContact CD1-CD2 3.49Å; I2932-L2952 VanDerWaalsContact CD1-CD2 3.44Å; I2932-L2952 HydrophobicContact CD1-CG 3.89Å; I2932-L2952 HydrophobicContact CG1-CD2 4.31Å; S2948-L2952 PolarHBondContact O-N 2.98Å; S2948-L2952 VanDerWaalsContact O-N 3.11Å; L2949-L2952 PolarHBondContact O-N 3.23Å; F2950-L2952 VanDerWaalsContact C-N 3.32Å; F2950-L2952 PolarHBondContact O-N 2.9Å; L2952-E2954 VanDerWaalsContact C-N 3.31Å; L2952-E2954 PolarHBondContact O-N 2.92Å; L2952-N2955 PolarHBondContact O-N 3.13Å; L2952-I2956 HydrophobicContact CD1-CD1 3.86Å; L2952-I2956 HydrophobicContact CD1-CG1 4.16Å; L2952-I2956 HydrophobicContact CD2-CD1 3.54Å; L2952-I2956 HydrophobicContact CG-CD1 3.91Å; L2952-I2956 WeakPolarHBondContact O-CD1 3.23Å; L2952-I2956 VanDerWaalsContact O-CG1 3.25Å; L2952-I2956 WeakPolarHBondContact O-CG1 3.29Å; L2952-I2956 PolarHBondContact O-N 2.98Å; L2952-L2977 HydrophobicContact CD1-CD1 4.03Å; L2952-L2977 HydrophobicContact CD1-CD2 3.92Å; L2952-D2981 HydrophobicContact CD1-CB 3.95Å; L2952-D2981 VanDerWaalsContact CD1-O 3.3Å; L2952-D2981 WeakPolarHBondContact CD1-O 3.3Å; L2952-D2981 WeakPolarHBondContact CD2-O 3.37Å; L2952-P2984 HydrophobicContact CB-CB 4.24Å; L2952-P2984 HydrophobicContact CB-CG 4.39Å; L2952-P2984 HydrophobicContact CD2-CB 4.42Å; L2952-L2985 HydrophobicContact CD1-CD1 3.99Å; L2952-L2985 HydrophobicContact CD2-CD1 3.45Å; L2952-L2985 VanDerWaalsContact CD2-CD1 3.44Å; L2952-L2985 HydrophobicContact CD2-CD2 3.87Å; L2952-L2985 HydrophobicContact CD2-CG 3.67Å |
| 2953 | L | 67.4 | Low | 60.1 | Low | 10.2 Ų | 10.2 | 55.8 Ų | 55.8 | 5% | 0.053 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 176.2 | -92.9 | 167.7 | 0 | 0 | 0 | 111.7 | I2929 I2932 R2933 L2936 L2949 F2950 I2956 N2957 | I2929-L2953 HydrophobicContact CB-CD2 4.26Å; I2929-L2953 HydrophobicContact CG1-CD2 4.02Å; I2929-L2953 HydrophobicContact CG2-CD1 4.28Å; I2929-L2953 HydrophobicContact CG2-CD2 4.1Å; I2932-L2953 HydrophobicContact CB-CD1 4.08Å; I2932-L2953 HydrophobicContact CB-CD2 4.1Å; I2932-L2953 HydrophobicContact CB-CG 4.34Å; I2932-L2953 HydrophobicContact CD1-CD2 4.2Å; I2932-L2953 HydrophobicContact CD1-CG 4.41Å; I2932-L2953 HydrophobicContact CG2-CB 4.19Å; I2932-L2953 HydrophobicContact CG2-CD1 3.79Å; I2932-L2953 HydrophobicContact CG2-CD2 4.04Å; I2932-L2953 HydrophobicContact CG2-CG 3.78Å; R2933-L2953 HydrophobicContact CG-CD1 3.96Å; R2933-L2953 HydrophobicContact CG-CD2 4.28Å; R2933-L2953 HydrophobicContact CG-CG 4.46Å; L2936-L2953 HydrophobicContact CD1-CD1 3.79Å; L2949-L2953 WeakPolarHBondContact O-CB 3.19Å; L2949-L2953 WeakPolarHBondContact O-CG 3.3Å; L2949-L2953 PolarHBondContact O-N 3.13Å; F2950-L2953 HydrophobicContact CD1-CD1 4.4Å; F2950-L2953 WeakPolarHBondContact O-CB 2.95Å; F2950-L2953 PolarHBondContact O-N 3.2Å; L2953-I2956 PolarHBondContact O-N 3.32Å; L2953-N2957 WeakPolarHBondContact CD2-ND2 3.35Å; L2953-N2957 VanDerWaalsContact O-CB 3.3Å; L2953-N2957 WeakPolarHBondContact O-CB 3.23Å; L2953-N2957 VanDerWaalsContact O-CG 3.3Å; L2953-N2957 PolarHBondContact O-N 3.06Å; L2953-N2957 PolarHBondContact O-ND2 3.11Å; L2953-N2957 VanDerWaalsContact O-ND2 3.1Å; L2953-N2957 PolarHBondContact O-OD1 2.66Å |
| 2954 | E | 66.5 | Low | 60.2 | Low | 130 Ų | 130 | 58.8 Ų | 58.8 | 61% | 0.607 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.8 | -43.2 | 178.4 | -168.7 | 171.2 | -174.3 | 0 | 0 | 111.2 | Q2657 F2950 S2951 L2952 N2957 S2958 | Q2657-E2954 PolarHBondContact NE2-OE1 3.39Å; Q2657-E2954 PolarHBondContact NE2-OE2 3.38Å; F2950-E2954 VanDerWaalsContact O-CB 3.28Å; F2950-E2954 WeakPolarHBondContact O-CB 3.32Å; F2950-E2954 PolarHBondContact O-N 3.07Å; S2951-E2954 PolarHBondContact O-N 3.31Å; L2952-E2954 VanDerWaalsContact C-N 3.31Å; L2952-E2954 PolarHBondContact O-N 2.92Å; E2954-N2957 PolarHBondContact O-N 3.09Å; E2954-S2958 VanDerWaalsContact O-CB 3.31Å; E2954-S2958 WeakPolarHBondContact O-CB 3.39Å; E2954-S2958 PolarHBondContact O-N 3.02Å; E2954-S2958 PolarHBondContact O-OG 2.97Å |
| 2955 | N | 69.6 | Low | 60.3 | Low | 41.6 Ų | 41.6 | 57.3 Ų | 57.3 | 22% | 0.222 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.9 | -48.7 | 174.5 | -165.7 | -1.9 | 0 | 0 | 0 | 111.6 | S2951 L2952 N2957 S2958 Q2959 D2981 | S2951-N2955 VanDerWaalsContact O-CB 3.28Å; S2951-N2955 WeakPolarHBondContact O-CB 3.39Å; S2951-N2955 PolarHBondContact O-N 3.04Å; L2952-N2955 PolarHBondContact O-N 3.13Å; N2955-N2957 VanDerWaalsContact C-N 3.29Å; N2955-N2957 PolarHBondContact O-N 3.26Å; N2955-S2958 PolarHBondContact O-N 3.08Å; N2955-S2958 VanDerWaalsContact O-N 3.16Å; N2955-S2958 PolarHBondContact O-OG 3.21Å; N2955-S2958 VanDerWaalsContact O-OG 3.04Å; N2955-Q2959 WeakPolarHBondContact O-CB 3.42Å; N2955-Q2959 WeakPolarHBondContact O-CG 3.11Å; N2955-Q2959 PolarHBondContact O-N 3.08Å; N2955-Q2959 VanDerWaalsContact O-N 3.08Å; N2955-Q2959 WeakPolarHBondContact OD1-CG 2.96Å; N2955-Q2959 PolarHBondContact OD1-NE2 2.99Å; N2955-D2981 WeakPolarHBondContact CB-OD1 3.31Å; N2955-D2981 VanDerWaalsContact ND2-CG 3.26Å; N2955-D2981 PolarHBondContact ND2-OD1 3.19Å; N2955-D2981 VanDerWaalsContact ND2-OD1 3.13Å; N2955-D2981 PolarHBondContact ND2-OD2 3.12Å; N2955-D2981 VanDerWaalsContact ND2-OD2 3.11Å |
| 2956 | I | 66.5 | Low | 60 | Low | 0.4 Ų | 0.4 | 59.8 Ų | 59.8 | 0% | 0.002 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61 | -45.3 | 177 | -60.7 | 162.2 | 0 | 0 | 0 | 111.2 | A2925 L2928 I2929 I2932 L2952 L2953 S2958 Q2959 S2960 I2975 L2977 | A2925-I2956 HydrophobicContact CB-CG2 3.85Å; L2928-I2956 HydrophobicContact CD2-CD1 3.6Å; L2928-I2956 VanDerWaalsContact CD2-CD1 3.42Å; L2928-I2956 HydrophobicContact CD2-CG1 4.32Å; L2928-I2956 HydrophobicContact CG-CD1 3.8Å; I2929-I2956 HydrophobicContact CD1-CB 4.29Å; I2929-I2956 HydrophobicContact CD1-CG2 3.64Å; I2929-I2956 VanDerWaalsContact CD1-CG2 3.41Å; I2929-I2956 HydrophobicContact CG1-CB 4.33Å; I2929-I2956 HydrophobicContact CG1-CD1 4.05Å; I2929-I2956 HydrophobicContact CG1-CG2 3.86Å; I2932-I2956 HydrophobicContact CD1-CD1 3.96Å; L2952-I2956 HydrophobicContact CD1-CD1 3.86Å; L2952-I2956 HydrophobicContact CD1-CG1 4.16Å; L2952-I2956 HydrophobicContact CD2-CD1 3.54Å; L2952-I2956 HydrophobicContact CG-CD1 3.91Å; L2952-I2956 WeakPolarHBondContact O-CD1 3.23Å; L2952-I2956 VanDerWaalsContact O-CG1 3.25Å; L2952-I2956 WeakPolarHBondContact O-CG1 3.29Å; L2952-I2956 PolarHBondContact O-N 2.98Å; L2953-I2956 PolarHBondContact O-N 3.32Å; I2956-S2958 VanDerWaalsContact C-N 3.35Å; I2956-S2958 PolarHBondContact O-N 3.17Å; I2956-Q2959 PolarHBondContact O-N 3.22Å; I2956-S2960 VanDerWaalsContact O-CB 3.25Å; I2956-S2960 WeakPolarHBondContact O-CB 3.33Å; I2956-S2960 PolarHBondContact O-N 3.08Å; I2956-S2960 PolarHBondContact O-OG 3.01Å; I2956-I2975 HydrophobicContact CG1-CG2 4.37Å; I2956-I2975 HydrophobicContact CG2-CD1 4.02Å; I2956-I2975 HydrophobicContact CG2-CG2 4.34Å; I2956-I2975 WeakPolarHBondContact O-CD1 3.28Å; I2956-L2977 HydrophobicContact CD1-CD2 4.13Å; I2956-L2977 HydrophobicContact CG1-CD1 4.46Å; I2956-L2977 HydrophobicContact CG1-CD2 3.8Å |
| 2957 | N | 68 | Low | 59.5 | Low | 41.8 Ų | 41.8 | 65.1 Ų | 65.1 | 22% | 0.224 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64 | -42.9 | 179.6 | -67.3 | -31.1 | 0 | 0 | 0 | 111.2 | I2929 R2933 L2953 E2954 N2955 Q2959 S2960 E2961 | I2929-N2957 WeakPolarHBondContact CD1-OD1 3.39Å; R2933-N2957 PolarHBondContact NH1-OD1 3.42Å; R2933-N2957 PolarHBondContact NH2-ND2 2.89Å; R2933-N2957 PolarHBondContact NH2-OD1 2.87Å; L2953-N2957 WeakPolarHBondContact CD2-ND2 3.35Å; L2953-N2957 VanDerWaalsContact O-CB 3.3Å; L2953-N2957 WeakPolarHBondContact O-CB 3.23Å; L2953-N2957 VanDerWaalsContact O-CG 3.3Å; L2953-N2957 PolarHBondContact O-N 3.06Å; L2953-N2957 PolarHBondContact O-ND2 3.11Å; L2953-N2957 VanDerWaalsContact O-ND2 3.1Å; L2953-N2957 PolarHBondContact O-OD1 2.66Å; E2954-N2957 PolarHBondContact O-N 3.09Å; N2955-N2957 VanDerWaalsContact C-N 3.29Å; N2955-N2957 PolarHBondContact O-N 3.26Å; N2957-Q2959 VanDerWaalsContact C-N 3.29Å; N2957-Q2959 PolarHBondContact O-N 3.22Å; N2957-S2960 VanDerWaalsContact CA-OG 3.31Å; N2957-S2960 WeakPolarHBondContact CA-OG 3.37Å; N2957-S2960 CarbonylContact O-C 3.39Å; N2957-S2960 WeakPolarHBondContact O-CA 3.2Å; N2957-S2960 WeakPolarHBondContact O-CB 3.43Å; N2957-S2960 PolarHBondContact O-N 3.12Å; N2957-S2960 PolarHBondContact O-OG 2.81Å; N2957-E2961 WeakPolarHBondContact O-CB 3.46Å; N2957-E2961 WeakPolarHBondContact O-CG 3.42Å; N2957-E2961 PolarHBondContact O-N 3Å |
| 2958 | S | 68.8 | Low | 58.7 | Low | 56.6 Ų | 56.6 | 66.1 Ų | 66.1 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.3 | -36.8 | 179.7 | 71.9 | 0 | 0 | 0 | 0 | 112.7 | E2954 N2955 I2956 T2962 | E2954-S2958 VanDerWaalsContact O-CB 3.31Å; E2954-S2958 WeakPolarHBondContact O-CB 3.39Å; E2954-S2958 PolarHBondContact O-N 3.02Å; E2954-S2958 PolarHBondContact O-OG 2.97Å; N2955-S2958 PolarHBondContact O-N 3.08Å; N2955-S2958 VanDerWaalsContact O-N 3.16Å; N2955-S2958 PolarHBondContact O-OG 3.21Å; N2955-S2958 VanDerWaalsContact O-OG 3.04Å; I2956-S2958 VanDerWaalsContact C-N 3.35Å; I2956-S2958 PolarHBondContact O-N 3.17Å; S2958-T2962 PolarHBondContact O-N 3.03Å; S2958-T2962 VanDerWaalsContact O-N 3.12Å; S2958-T2962 PolarHBondContact O-OG1 3.01Å |
| 2959 | Q | 66.7 | Low | 57.7 | Low | 38.2 Ų | 38.2 | 71.2 Ų | 71.2 | 18% | 0.179 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -72.1 | -39 | 173.1 | -66.8 | -171.9 | 48.7 | 0 | 0 | 111.4 | N2955 I2956 N2957 E2961 T2962 L2963 I2975 K2976 | N2955-Q2959 WeakPolarHBondContact O-CB 3.42Å; N2955-Q2959 WeakPolarHBondContact O-CG 3.11Å; N2955-Q2959 PolarHBondContact O-N 3.08Å; N2955-Q2959 VanDerWaalsContact O-N 3.08Å; N2955-Q2959 WeakPolarHBondContact OD1-CG 2.96Å; N2955-Q2959 PolarHBondContact OD1-NE2 2.99Å; I2956-Q2959 PolarHBondContact O-N 3.22Å; N2957-Q2959 VanDerWaalsContact C-N 3.29Å; N2957-Q2959 PolarHBondContact O-N 3.22Å; Q2959-E2961 PolarHBondContact O-N 3.29Å; Q2959-T2962 VanDerWaalsContact CA-OG1 3.32Å; Q2959-T2962 WeakPolarHBondContact CA-OG1 3.4Å; Q2959-T2962 PolarHBondContact O-N 3.1Å; Q2959-T2962 PolarHBondContact O-OG1 3.3Å; Q2959-T2962 VanDerWaalsContact O-OG1 3.1Å; Q2959-L2963 VanDerWaalsContact O-CB 3.25Å; Q2959-L2963 WeakPolarHBondContact O-CB 3.28Å; Q2959-L2963 VanDerWaalsContact O-CD1 3.3Å; Q2959-L2963 WeakPolarHBondContact O-CD1 3.38Å; Q2959-L2963 VanDerWaalsContact O-CG 3.25Å; Q2959-L2963 WeakPolarHBondContact O-CG 3.36Å; Q2959-L2963 PolarHBondContact O-N 3.22Å; Q2959-L2963 VanDerWaalsContact O-N 3.12Å; Q2959-I2975 HydrophobicContact CB-CB 4.38Å; Q2959-I2975 HydrophobicContact CB-CD1 4.23Å; Q2959-I2975 HydrophobicContact CB-CG1 3.96Å; Q2959-I2975 HydrophobicContact CB-CG2 3.97Å; Q2959-I2975 HydrophobicContact CG-CG2 4.45Å; Q2959-I2975 VanDerWaalsContact OE1-CA 3.3Å; Q2959-K2976 PolarHBondContact NE2-O 3.14Å; Q2959-K2976 PolarHBondContact OE1-O 3.14Å |
| 2960 | S | 62.4 | Low | 56.7 | Low | 19.8 Ų | 19.8 | 79.1 Ų | 79.1 | 14% | 0.138 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 174.7 | 150.8 | 0 | 0 | 0 | 0 | 112.5 | I2956 N2957 T2962 L2963 E2964 | I2956-S2960 VanDerWaalsContact O-CB 3.25Å; I2956-S2960 WeakPolarHBondContact O-CB 3.33Å; I2956-S2960 PolarHBondContact O-N 3.08Å; I2956-S2960 PolarHBondContact O-OG 3.01Å; N2957-S2960 VanDerWaalsContact CA-OG 3.31Å; N2957-S2960 WeakPolarHBondContact CA-OG 3.37Å; N2957-S2960 CarbonylContact O-C 3.39Å; N2957-S2960 WeakPolarHBondContact O-CA 3.2Å; N2957-S2960 WeakPolarHBondContact O-CB 3.43Å; N2957-S2960 PolarHBondContact O-N 3.12Å; N2957-S2960 PolarHBondContact O-OG 2.81Å; S2960-T2962 VanDerWaalsContact C-N 3.3Å; S2960-T2962 PolarHBondContact O-N 3.44Å; S2960-L2963 PolarHBondContact O-N 3.07Å; S2960-L2963 VanDerWaalsContact O-N 3.07Å; S2960-E2964 WeakPolarHBondContact O-CB 3.23Å; S2960-E2964 WeakPolarHBondContact O-CG 3.32Å; S2960-E2964 PolarHBondContact O-N 3.21Å; S2960-E2964 VanDerWaalsContact O-N 3.15Å |
| 2961 | E | 57 | Low | 55.7 | Low | 135.6 Ų | 135.6 | 78.1 Ų | 78.1 | 63% | 0.634 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -64.8 | -36.9 | 178 | -76.6 | 178.7 | -177.7 | 0 | 0 | 112.1 | N2957 Q2959 L2963 S2965 | N2957-E2961 WeakPolarHBondContact O-CB 3.46Å; N2957-E2961 WeakPolarHBondContact O-CG 3.42Å; N2957-E2961 PolarHBondContact O-N 3Å; Q2959-E2961 PolarHBondContact O-N 3.29Å; E2961-L2963 VanDerWaalsContact C-N 3.3Å; E2961-L2963 PolarHBondContact O-N 3.47Å; E2961-S2965 PolarHBondContact O-N 2.86Å |
| 2962 | T | 56.7 | Low | 54.9 | Low | 82 Ų | 82 | 82.8 Ų | 82.8 | 50% | 0.503 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -70.7 | -31.6 | 173.9 | 48.7 | 0 | 0 | 0 | 0 | 112.8 | S2958 Q2959 S2960 S2965 V2966 | S2958-T2962 PolarHBondContact O-N 3.03Å; S2958-T2962 VanDerWaalsContact O-N 3.12Å; S2958-T2962 PolarHBondContact O-OG1 3.01Å; Q2959-T2962 VanDerWaalsContact CA-OG1 3.32Å; Q2959-T2962 WeakPolarHBondContact CA-OG1 3.4Å; Q2959-T2962 PolarHBondContact O-N 3.1Å; Q2959-T2962 PolarHBondContact O-OG1 3.3Å; Q2959-T2962 VanDerWaalsContact O-OG1 3.1Å; S2960-T2962 VanDerWaalsContact C-N 3.3Å; S2960-T2962 PolarHBondContact O-N 3.44Å; T2962-S2965 WeakPolarHBondContact O-CA 3.3Å; T2962-S2965 WeakPolarHBondContact O-CB 3.43Å; T2962-S2965 PolarHBondContact O-N 2.95Å; T2962-S2965 PolarHBondContact O-OG 3.18Å; T2962-V2966 WeakPolarHBondContact O-CG2 3.25Å; T2962-V2966 PolarHBondContact O-N 2.96Å |
| 2963 | L | 53.1 | Low | 54.1 | Low | 43.4 Ų | 43.4 | 85 Ų | 85 | 23% | 0.227 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -79.1 | -29.9 | 179.8 | -71.1 | 168.4 | 0 | 0 | 0 | 113.2 | I2922 Q2959 S2960 E2961 S2965 V2966 P2973 I2974 I2975 | I2922-L2963 HydrophobicContact CD1-CB 4.06Å; I2922-L2963 HydrophobicContact CD1-CD1 4.17Å; I2922-L2963 HydrophobicContact CG1-CD1 4.2Å; Q2959-L2963 VanDerWaalsContact O-CB 3.25Å; Q2959-L2963 WeakPolarHBondContact O-CB 3.28Å; Q2959-L2963 VanDerWaalsContact O-CD1 3.3Å; Q2959-L2963 WeakPolarHBondContact O-CD1 3.38Å; Q2959-L2963 VanDerWaalsContact O-CG 3.25Å; Q2959-L2963 WeakPolarHBondContact O-CG 3.36Å; Q2959-L2963 PolarHBondContact O-N 3.22Å; Q2959-L2963 VanDerWaalsContact O-N 3.12Å; S2960-L2963 PolarHBondContact O-N 3.07Å; S2960-L2963 VanDerWaalsContact O-N 3.07Å; E2961-L2963 VanDerWaalsContact C-N 3.3Å; E2961-L2963 PolarHBondContact O-N 3.47Å; L2963-S2965 PolarHBondContact O-N 3.21Å; L2963-V2966 PolarHBondContact O-N 3.04Å; L2963-P2973 HydrophobicContact CB-CB 3.89Å; L2963-P2973 VanDerWaalsContact CB-CB 3.44Å; L2963-P2973 HydrophobicContact CB-CG 4.38Å; L2963-P2973 HydrophobicContact CD1-CB 3.91Å; L2963-P2973 HydrophobicContact CD2-CB 3.88Å; L2963-P2973 VanDerWaalsContact CD2-CB 3.4Å; L2963-P2973 HydrophobicContact CG-CB 4.09Å; L2963-I2974 WeakPolarHBondContact CD1-O 3.48Å; L2963-I2975 HydrophobicContact CD1-CB 4.43Å; L2963-I2975 HydrophobicContact CD1-CD1 4.31Å; L2963-I2975 HydrophobicContact CD1-CG1 3.56Å |
| 2964 | E | 49.6 | Very low | 53.6 | Low | 147.2 Ų | 147.2 | 88.3 Ų | 88.3 | 69% | 0.688 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -14.1 | 170.7 | -75.1 | -173.6 | 171.9 | 0 | 0 | 112.9 | S2960 | S2960-E2964 WeakPolarHBondContact O-CB 3.23Å; S2960-E2964 WeakPolarHBondContact O-CG 3.32Å; S2960-E2964 PolarHBondContact O-N 3.21Å; S2960-E2964 VanDerWaalsContact O-N 3.15Å |
| 2965 | S | 49.1 | Very low | 53.1 | Low | 79.2 Ų | 79.2 | 82.2 Ų | 82.2 | 55% | 0.554 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -6.5 | -179.4 | 76.1 | 0 | 0 | 0 | 0 | 115.3 | E2629 E2961 T2962 L2963 | E2629-S2965 PolarHBondContact OE1-OG 3.36Å; E2629-S2965 VanDerWaalsContact OE1-OG 3.09Å; E2961-S2965 PolarHBondContact O-N 2.86Å; T2962-S2965 WeakPolarHBondContact O-CA 3.3Å; T2962-S2965 WeakPolarHBondContact O-CB 3.43Å; T2962-S2965 PolarHBondContact O-N 2.95Å; T2962-S2965 PolarHBondContact O-OG 3.18Å; L2963-S2965 PolarHBondContact O-N 3.21Å |
| 2966 | V | 45.2 | Very low | 52.8 | Low | 86.4 Ų | 86.4 | 85.9 Ų | 85.9 | 52% | 0.524 | 46% | 0.46 | S | S | . | . | trans | -107.8 | 112.6 | -174 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | T2962 L2963 D2968 | T2962-V2966 WeakPolarHBondContact O-CG2 3.25Å; T2962-V2966 PolarHBondContact O-N 2.96Å; L2963-V2966 PolarHBondContact O-N 3.04Å; V2966-D2968 VanDerWaalsContact C-N 3.25Å; V2966-D2968 HydrophobicContact CG1-CB 4.13Å; V2966-D2968 PolarHBondContact O-N 3.12Å; V2966-D2968 VanDerWaalsContact O-N 3.11Å | ||
| 2967 | E | 41.2 | Very low | 52.4 | Low | 171.2 Ų | 171.2 | 86 Ų | 86 | 80% | 0.8 | 46% | 0.46 | S | S | * | . | trans | -77.4 | 13 | -174.5 | -76.1 | -173.3 | 144.5 | 0 | 0 | 115.4 | T2688 V2969 | T2688-E2967 WeakPolarHBondContact CA-OE2 3.43Å; T2688-E2967 WeakPolarHBondContact CB-OE1 3.34Å; T2688-E2967 WeakPolarHBondContact CB-OE2 3.37Å; T2688-E2967 WeakPolarHBondContact CG2-OE1 3.42Å; T2688-E2967 WeakPolarHBondContact CG2-OE2 3.5Å; E2967-V2969 WeakPolarHBondContact O-CG2 3.43Å; E2967-V2969 PolarHBondContact O-N 3Å; E2967-V2969 VanDerWaalsContact O-N 3.12Å | ||
| 2968 | D | 36.2 | Very low | 52.2 | Low | 117.6 Ų | 117.6 | 85 Ų | 85 | 63% | 0.629 | 46% | 0.457 | S | S | * | . | trans | -79.7 | 91.6 | -179 | -94.7 | -40.6 | 0 | 0 | 0 | 112.2 | V2966 L2970 S2971 | V2966-D2968 VanDerWaalsContact C-N 3.25Å; V2966-D2968 HydrophobicContact CG1-CB 4.13Å; V2966-D2968 PolarHBondContact O-N 3.12Å; V2966-D2968 VanDerWaalsContact O-N 3.11Å; D2968-L2970 PolarHBondContact O-N 3.06Å; D2968-S2971 WeakPolarHBondContact CB-OG 3.27Å; D2968-S2971 CarbonylContact O-C 3.58Å; D2968-S2971 PolarHBondContact O-N 3.24Å; D2968-S2971 VanDerWaalsContact O-O 3.05Å; D2968-S2971 PolarHBondContact O-OG 2.75Å | ||
| 2969 | V | 36.1 | Very low | 51.4 | Low | 138 Ų | 138 | 84.4 Ų | 84.4 | 84% | 0.836 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -2.2 | -177.5 | -177.9 | 0 | 0 | 0 | 0 | 114.5 | E2967 | E2967-V2969 WeakPolarHBondContact O-CG2 3.43Å; E2967-V2969 PolarHBondContact O-N 3Å; E2967-V2969 VanDerWaalsContact O-N 3.12Å |
| 2970 | L | 38.4 | Very low | 50.9 | Low | 166.2 Ų | 166.2 | 85.7 Ų | 85.7 | 87% | 0.87 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | -8.3 | -174.2 | -70.3 | 172.1 | 0 | 0 | 0 | 115.6 | D2968 | D2968-L2970 PolarHBondContact O-N 3.06Š|
| 2971 | S | 41 | Very low | 50.8 | Low | 74 Ų | 74 | 85.7 Ų | 85.7 | 52% | 0.517 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -112.3 | 117.4 | 172.7 | 51.2 | 0 | 0 | 0 | 0 | 110.1 | D2968 P2973 | D2968-S2971 WeakPolarHBondContact CB-OG 3.27Å; D2968-S2971 CarbonylContact O-C 3.58Å; D2968-S2971 PolarHBondContact O-N 3.24Å; D2968-S2971 VanDerWaalsContact O-O 3.05Å; D2968-S2971 PolarHBondContact O-OG 2.75Å; S2971-P2973 VanDerWaalsContact O-CD 3.31Å; S2971-P2973 WeakPolarHBondContact O-CD 3.38Å; S2971-P2973 VanDerWaalsContact O-N 3.1Å |
| 2972 | F | 46.4 | Very low | 50.8 | Low | 159 Ų | 159 | 79.7 Ų | 79.7 | 70% | 0.697 | 44% | 0.436 | S | S | * | . | trans | -55.3 | 125.2 | 170.9 | -78.3 | -84.1 | 0 | 0 | 0 | 109 | I2974 W3024 | F2972-I2974 WeakPolarHBondContact O-CG1 3.24Å; F2972-I2974 PolarHBondContact O-N 3.11Å; F2972-W3024 HydrophobicContact CD1-CZ2 4.01Å; F2972-W3024 AromaticContact CD2-CH2 3.57Å; F2972-W3024 HydrophobicContact CD2-CH2 3.57Å; F2972-W3024 AromaticContact CD2-CZ2 3.45Å; F2972-W3024 HydrophobicContact CD2-CZ2 3.45Å; F2972-W3024 VanDerWaalsContact CD2-CZ2 3.45Å; F2972-W3024 AromaticContact CE1-CZ2 3.89Å; F2972-W3024 HydrophobicContact CE1-CZ2 3.89Å; F2972-W3024 AromaticContact CE2-CH2 3.73Å; F2972-W3024 HydrophobicContact CE2-CH2 3.73Å; F2972-W3024 AromaticContact CE2-CZ2 3.32Å; F2972-W3024 HydrophobicContact CE2-CZ2 3.32Å; F2972-W3024 HydrophobicContact CG-CH2 4.15Å; F2972-W3024 AromaticContact CG-CZ2 3.81Å; F2972-W3024 HydrophobicContact CG-CZ2 3.81Å; F2972-W3024 HydrophobicContact CZ-CH2 4.41Å; F2972-W3024 AromaticContact CZ-CZ2 3.56Å; F2972-W3024 HydrophobicContact CZ-CZ2 3.56Å | ||
| 2973 | P | 50.5 | Low | 50.7 | Low | 47.2 Ų | 47.2 | 80.9 Ų | 80.9 | 31% | 0.306 | 44% | 0.435 | S | S | . | . | trans | -69.3 | 118.3 | -177.3 | -18 | 30.8 | 0 | 0 | 0 | 110.3 | D2921 I2922 L2963 S2971 | D2921-P2973 WeakPolarHBondContact CA-O 3.06Å; I2922-P2973 HydrophobicContact CD1-CB 3.6Å; I2922-P2973 VanDerWaalsContact CD1-CB 3.47Å; I2922-P2973 HydrophobicContact CD1-CG 3.95Å; I2922-P2973 HydrophobicContact CG1-CB 4.07Å; I2922-P2973 HydrophobicContact CG1-CG 4.43Å; I2922-P2973 PolarHBondContact N-O 2.97Å; I2922-P2973 VanDerWaalsContact N-O 3.14Å; L2963-P2973 HydrophobicContact CB-CB 3.89Å; L2963-P2973 VanDerWaalsContact CB-CB 3.44Å; L2963-P2973 HydrophobicContact CB-CG 4.38Å; L2963-P2973 HydrophobicContact CD1-CB 3.91Å; L2963-P2973 HydrophobicContact CD2-CB 3.88Å; L2963-P2973 VanDerWaalsContact CD2-CB 3.4Å; L2963-P2973 HydrophobicContact CG-CB 4.09Å; S2971-P2973 VanDerWaalsContact O-CD 3.31Å; S2971-P2973 WeakPolarHBondContact O-CD 3.38Å; S2971-P2973 VanDerWaalsContact O-N 3.1Å | ||
| 2974 | I | 56.5 | Low | 50.7 | Low | 79.2 Ų | 79.2 | 79.6 Ų | 79.6 | 41% | 0.406 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.2 | -174.7 | -71.3 | 165.2 | 0 | 0 | 0 | 109.2 | D2919 I2920 L2963 F2972 K2976 | D2919-I2974 HydrophobicContact CB-CB 4.48Å; D2919-I2974 HydrophobicContact CB-CD1 4.35Å; D2919-I2974 HydrophobicContact CB-CG1 4.23Å; D2919-I2974 HydrophobicContact CB-CG2 3.41Å; D2919-I2974 VanDerWaalsContact CB-CG2 3.48Å; D2919-I2974 VanDerWaalsContact CG-CG2 3.47Å; I2920-I2974 CarbonylContact O-C 3.4Å; I2920-I2974 WeakPolarHBondContact O-CA 3.14Å; L2963-I2974 WeakPolarHBondContact CD1-O 3.48Å; F2972-I2974 WeakPolarHBondContact O-CG1 3.24Å; F2972-I2974 PolarHBondContact O-N 3.11Å; I2974-K2976 HydrophobicContact CG2-CG 4.24Å |
| 2975 | I | 56.8 | Low | 50.8 | Low | 0.8 Ų | 0.8 | 74 Ų | 74 | 0% | 0.004 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 122.4 | 170.1 | -66.8 | 173.8 | 0 | 0 | 0 | 107.6 | Q2918 D2919 I2920 I2922 A2925 I2956 Q2959 L2963 L2977 | Q2918-I2975 VanDerWaalsContact O-O 3.13Å; D2919-I2975 CarbonylContact C-O 3.56Å; I2920-I2975 HydrophobicContact CD1-CB 4.43Å; I2920-I2975 HydrophobicContact CD1-CG2 4.32Å; I2920-I2975 HydrophobicContact CG1-CB 3.98Å; I2920-I2975 HydrophobicContact CG1-CG2 4.22Å; I2920-I2975 WeakPolarHBondContact CG1-O 3.32Å; I2920-I2975 PolarHBondContact N-O 2.93Å; I2920-I2975 PolarHBondContact O-N 3.14Å; I2922-I2975 HydrophobicContact CG1-CD1 4.3Å; A2925-I2975 HydrophobicContact CB-CD1 3.59Å; I2956-I2975 HydrophobicContact CG1-CG2 4.37Å; I2956-I2975 HydrophobicContact CG2-CD1 4.02Å; I2956-I2975 HydrophobicContact CG2-CG2 4.34Å; I2956-I2975 WeakPolarHBondContact O-CD1 3.28Å; Q2959-I2975 HydrophobicContact CB-CB 4.38Å; Q2959-I2975 HydrophobicContact CB-CD1 4.23Å; Q2959-I2975 HydrophobicContact CB-CG1 3.96Å; Q2959-I2975 HydrophobicContact CB-CG2 3.97Å; Q2959-I2975 HydrophobicContact CG-CG2 4.45Å; Q2959-I2975 VanDerWaalsContact OE1-CA 3.3Å; L2963-I2975 HydrophobicContact CD1-CB 4.43Å; L2963-I2975 HydrophobicContact CD1-CD1 4.31Å; L2963-I2975 HydrophobicContact CD1-CG1 3.56Å; I2975-L2977 HydrophobicContact CG2-CD2 4.28Å; I2975-L2977 HydrophobicContact CG2-CG 4.34Å; I2975-L2977 PolarHBondContact O-N 3.27Å |
| 2976 | K | 63 | Low | 50.8 | Low | 121 Ų | 121 | 71.3 Ų | 71.3 | 53% | 0.526 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 110.2 | 179 | -62.6 | -164.8 | 167.5 | -151.4 | 0 | 110 | E2917 D2919 Q2959 I2974 S2978 | E2917-K2976 IonicContact OE2-NZ 3.94Å; E2917-K2976 PolarHBondContact OE2-NZ 3.18Å; D2919-K2976 WeakPolarHBondContact OD1-CE 3.14Å; D2919-K2976 VanDerWaalsContact OD1-CG 3.24Å; D2919-K2976 WeakPolarHBondContact OD1-CG 3.35Å; D2919-K2976 IonicContact OD1-NZ 2.98Å; D2919-K2976 PolarHBondContact OD1-NZ 3.42Å; D2919-K2976 IonicContact OD2-NZ 3.51Å; D2919-K2976 PolarHBondContact OD2-NZ 3.24Å; Q2959-K2976 PolarHBondContact NE2-O 3.14Å; Q2959-K2976 PolarHBondContact OE1-O 3.14Å; I2974-K2976 HydrophobicContact CG2-CG 4.24Å; K2976-S2978 VanDerWaalsContact C-N 3.35Å; K2976-S2978 PolarHBondContact O-N 2.75Å |
| 2977 | L | 57.8 | Low | 51 | Low | 1.2 Ų | 1.2 | 70.8 Ų | 70.8 | 1% | 0.006 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 119.5 | 170.4 | -67.6 | -175 | 0 | 0 | 0 | 110 | E2917 Q2918 I2920 L2928 L2952 I2956 I2975 D2981 L2982 | E2917-L2977 CarbonylContact C-O 3.48Å; E2917-L2977 VanDerWaalsContact CA-O 3.31Å; E2917-L2977 WeakPolarHBondContact CA-O 3.44Å; E2917-L2977 WeakPolarHBondContact CG-O 3.42Å; Q2918-L2977 PolarHBondContact N-O 3.17Å; Q2918-L2977 WeakPolarHBondContact O-CB 3.42Å; Q2918-L2977 PolarHBondContact O-N 3.1Å; I2920-L2977 HydrophobicContact CD1-CB 4.2Å; I2920-L2977 HydrophobicContact CD1-CD1 3.56Å; I2920-L2977 VanDerWaalsContact CD1-CD1 3.47Å; I2920-L2977 HydrophobicContact CD1-CD2 4.43Å; I2920-L2977 HydrophobicContact CD1-CG 3.99Å; I2920-L2977 HydrophobicContact CG1-CD1 4.2Å; I2920-L2977 HydrophobicContact CG1-CG 4.31Å; I2920-L2977 HydrophobicContact CG2-CD1 3.97Å; I2920-L2977 HydrophobicContact CG2-CG 4.14Å; L2928-L2977 HydrophobicContact CD2-CD1 3.99Å; L2952-L2977 HydrophobicContact CD1-CD1 4.03Å; L2952-L2977 HydrophobicContact CD1-CD2 3.92Å; I2956-L2977 HydrophobicContact CD1-CD2 4.13Å; I2956-L2977 HydrophobicContact CG1-CD1 4.46Å; I2956-L2977 HydrophobicContact CG1-CD2 3.8Å; I2975-L2977 HydrophobicContact CG2-CD2 4.28Å; I2975-L2977 HydrophobicContact CG2-CG 4.34Å; I2975-L2977 PolarHBondContact O-N 3.27Å; L2977-D2981 HydrophobicContact CB-CB 4.38Å; L2977-D2981 HydrophobicContact CD2-CB 4.13Å; L2977-L2982 HydrophobicContact CB-CD1 4.21Å; L2977-L2982 HydrophobicContact CB-CD2 4.32Å; L2977-L2982 HydrophobicContact CB-CG 4.07Å; L2977-L2982 HydrophobicContact CD1-CD2 3.77Å; L2977-L2982 VanDerWaalsContact CD1-CD2 3.5Å; L2977-L2982 HydrophobicContact CD1-CG 4.24Å; L2977-L2982 HydrophobicContact CG-CD2 4.45Å |
| 2978 | S | 63.1 | Low | 51.3 | Low | 22 Ų | 22 | 62.9 Ų | 62.9 | 15% | 0.154 | 34% | 0.343 | C | S | . | . | trans | -69.1 | 159 | 173.3 | 71.4 | 0 | 0 | 0 | 0 | 111.3 | K2976 S2980 D2981 L2982 | K2976-S2978 VanDerWaalsContact C-N 3.35Å; K2976-S2978 PolarHBondContact O-N 2.75Å; S2978-S2980 PolarHBondContact O-N 3.28Å; S2978-S2980 VanDerWaalsContact O-N 3.13Å; S2978-S2980 WeakPolarHBondContact OG-CA 3.34Å; S2978-S2980 VanDerWaalsContact OG-CB 3.25Å; S2978-S2980 WeakPolarHBondContact OG-CB 3.31Å; S2978-S2980 PolarHBondContact OG-N 3.18Å; S2978-S2980 PolarHBondContact OG-OG 3.16Å; S2978-D2981 WeakPolarHBondContact CA-OD2 3.39Å; S2978-D2981 VanDerWaalsContact CB-OD2 3.28Å; S2978-D2981 WeakPolarHBondContact CB-OD2 3.34Å; S2978-D2981 PolarHBondContact N-OD2 3.19Å; S2978-D2981 WeakPolarHBondContact O-CB 3.38Å; S2978-D2981 PolarHBondContact O-N 3.17Å; S2978-D2981 VanDerWaalsContact OG-CG 3.3Å; S2978-D2981 PolarHBondContact OG-N 3.12Å; S2978-D2981 VanDerWaalsContact OG-N 3.14Å; S2978-D2981 PolarHBondContact OG-OD2 3.07Å; S2978-L2982 PolarHBondContact O-N 3.12Å | ||
| 2979 | S | 53.7 | Low | 51.7 | Low | 44.2 Ų | 44.2 | 58.8 Ų | 58.8 | 31% | 0.309 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.1 | -26.1 | 169.6 | 60.9 | 0 | 0 | 0 | 0 | 112.7 | R2596 T2599 V2915 D2981 L2982 K2983 | R2596-S2979 WeakPolarHBondContact CA-OG 3.3Å; R2596-S2979 WeakPolarHBondContact CG-O 3.46Å; R2596-S2979 PolarHBondContact NE-O 3.41Å; R2596-S2979 WeakPolarHBondContact O-CB 3.42Å; R2596-S2979 PolarHBondContact O-OG 3.41Å; T2599-S2979 WeakPolarHBondContact OG1-CB 3.46Å; V2915-S2979 WeakPolarHBondContact CG1-O 3.43Å; V2915-S2979 VanDerWaalsContact O-CB 3.27Å; V2915-S2979 WeakPolarHBondContact O-CB 3.35Å; S2979-D2981 VanDerWaalsContact C-N 3.33Å; S2979-D2981 PolarHBondContact O-N 2.68Å; S2979-L2982 PolarHBondContact O-N 3.08Å; S2979-K2983 WeakPolarHBondContact O-CB 3.23Å; S2979-K2983 PolarHBondContact O-N 3.22Å; S2979-K2983 VanDerWaalsContact O-N 3.12Å |
| 2980 | S | 56.1 | Low | 52 | Low | 64.4 Ų | 64.4 | 55.8 Ų | 55.8 | 45% | 0.45 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.7 | -38.8 | 171.3 | 32 | 0 | 0 | 0 | 0 | 113.2 | R2596 N2643 S2978 K2983 P2984 | R2596-S2980 PolarHBondContact NH2-O 3.27Å; N2643-S2980 PolarHBondContact ND2-OG 3.15Å; N2643-S2980 VanDerWaalsContact ND2-OG 3.08Å; N2643-S2980 WeakPolarHBondContact OD1-CB 3.35Å; N2643-S2980 PolarHBondContact OD1-OG 3.33Å; S2978-S2980 PolarHBondContact O-N 3.28Å; S2978-S2980 VanDerWaalsContact O-N 3.13Å; S2978-S2980 WeakPolarHBondContact OG-CA 3.34Å; S2978-S2980 VanDerWaalsContact OG-CB 3.25Å; S2978-S2980 WeakPolarHBondContact OG-CB 3.31Å; S2978-S2980 PolarHBondContact OG-N 3.18Å; S2978-S2980 PolarHBondContact OG-OG 3.16Å; S2980-K2983 WeakPolarHBondContact O-CB 3.22Å; S2980-K2983 PolarHBondContact O-N 3.44Å; S2980-P2984 WeakPolarHBondContact O-CD 3.43Å |
| 2981 | D | 59 | Low | 52.2 | Low | 20.6 Ų | 20.6 | 49.7 Ų | 49.7 | 11% | 0.11 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.9 | -36 | -179.3 | -63.1 | -55.4 | 0 | 0 | 0 | 112.1 | L2952 N2955 L2977 S2978 S2979 K2983 P2984 | L2952-D2981 HydrophobicContact CD1-CB 3.95Å; L2952-D2981 VanDerWaalsContact CD1-O 3.3Å; L2952-D2981 WeakPolarHBondContact CD1-O 3.3Å; L2952-D2981 WeakPolarHBondContact CD2-O 3.37Å; N2955-D2981 WeakPolarHBondContact CB-OD1 3.31Å; N2955-D2981 VanDerWaalsContact ND2-CG 3.26Å; N2955-D2981 PolarHBondContact ND2-OD1 3.19Å; N2955-D2981 VanDerWaalsContact ND2-OD1 3.13Å; N2955-D2981 PolarHBondContact ND2-OD2 3.12Å; N2955-D2981 VanDerWaalsContact ND2-OD2 3.11Å; L2977-D2981 HydrophobicContact CB-CB 4.38Å; L2977-D2981 HydrophobicContact CD2-CB 4.13Å; S2978-D2981 WeakPolarHBondContact CA-OD2 3.39Å; S2978-D2981 VanDerWaalsContact CB-OD2 3.28Å; S2978-D2981 WeakPolarHBondContact CB-OD2 3.34Å; S2978-D2981 PolarHBondContact N-OD2 3.19Å; S2978-D2981 WeakPolarHBondContact O-CB 3.38Å; S2978-D2981 PolarHBondContact O-N 3.17Å; S2978-D2981 VanDerWaalsContact OG-CG 3.3Å; S2978-D2981 PolarHBondContact OG-N 3.12Å; S2978-D2981 VanDerWaalsContact OG-N 3.14Å; S2978-D2981 PolarHBondContact OG-OD2 3.07Å; S2979-D2981 VanDerWaalsContact C-N 3.33Å; S2979-D2981 PolarHBondContact O-N 2.68Å; D2981-K2983 VanDerWaalsContact C-N 3.33Å; D2981-K2983 PolarHBondContact O-N 3.44Å; D2981-P2984 VanDerWaalsContact O-CD 3.24Å; D2981-P2984 WeakPolarHBondContact O-CD 3.29Å; D2981-P2984 VanDerWaalsContact O-CG 3.28Å; D2981-P2984 WeakPolarHBondContact O-CG 3.19Å |
| 2982 | L | 56.6 | Low | 52.3 | Low | 9 Ų | 9 | 48.2 Ų | 48.2 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -82.7 | -21.3 | -177.5 | -70.2 | 166.4 | 0 | 0 | 0 | 113.2 | I2892 V2915 K2916 Q2918 L2977 S2978 S2979 P2984 L2985 A2986 | I2892-L2982 HydrophobicContact CD1-CD2 4.13Å; I2892-L2982 HydrophobicContact CG1-CD2 4.28Å; I2892-L2982 HydrophobicContact CG2-CD1 4.33Å; I2892-L2982 HydrophobicContact CG2-CD2 4.12Å; V2915-L2982 HydrophobicContact CG1-CB 3.27Å; V2915-L2982 VanDerWaalsContact CG1-CB 3.42Å; V2915-L2982 HydrophobicContact CG1-CD1 4.03Å; V2915-L2982 HydrophobicContact CG1-CG 4.29Å; K2916-L2982 WeakPolarHBondContact O-CD1 3.28Å; Q2918-L2982 HydrophobicContact CB-CD1 4.16Å; Q2918-L2982 VanDerWaalsContact CD-CD1 3.46Å; Q2918-L2982 HydrophobicContact CG-CD1 4.01Å; L2977-L2982 HydrophobicContact CB-CD1 4.21Å; L2977-L2982 HydrophobicContact CB-CD2 4.32Å; L2977-L2982 HydrophobicContact CB-CG 4.07Å; L2977-L2982 HydrophobicContact CD1-CD2 3.77Å; L2977-L2982 VanDerWaalsContact CD1-CD2 3.5Å; L2977-L2982 HydrophobicContact CD1-CG 4.24Å; L2977-L2982 HydrophobicContact CG-CD2 4.45Å; S2978-L2982 PolarHBondContact O-N 3.12Å; S2979-L2982 PolarHBondContact O-N 3.08Å; L2982-P2984 VanDerWaalsContact C-N 3.34Å; L2982-L2985 HydrophobicContact CD2-CD1 4.26Å; L2982-L2985 WeakPolarHBondContact O-CA 3.42Å; L2982-L2985 VanDerWaalsContact O-CB 3.31Å; L2982-L2985 WeakPolarHBondContact O-CB 3.45Å; L2982-L2985 PolarHBondContact O-N 3.21Å; L2982-L2985 VanDerWaalsContact O-N 3.07Å; L2982-A2986 PolarHBondContact O-N 3.21Å; L2982-A2986 VanDerWaalsContact O-N 3.11Å |
| 2983 | K | 55.5 | Low | 51.9 | Low | 106.4 Ų | 106.4 | 47.2 Ų | 47.2 | 46% | 0.463 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.6 | -38.5 | -180 | -153.4 | -179.9 | -178.3 | 175.6 | 0 | 114.6 | E2589 E2592 R2596 E2635 V2915 S2979 S2980 D2981 L2985 A2986 I2987 | E2589-K2983 PolarHBondContact O-NZ 3.28Å; E2592-K2983 HydrophobicContact CB-CD 3.99Å; E2592-K2983 HydrophobicContact CB-CG 3.72Å; E2592-K2983 HydrophobicContact CG-CG 4.47Å; E2592-K2983 WeakPolarHBondContact OE2-CE 3.46Å; R2596-K2983 HydrophobicContact CG-CB 3.88Å; R2596-K2983 HydrophobicContact CG-CD 4.19Å; R2596-K2983 HydrophobicContact CG-CG 4.1Å; R2596-K2983 VanDerWaalsContact CZ-CB 3.43Å; R2596-K2983 VanDerWaalsContact NH1-CD 3.31Å; E2635-K2983 IonicContact OE1-NZ 2.81Å; E2635-K2983 PolarHBondContact OE1-NZ 3.35Å; E2635-K2983 IonicContact OE2-NZ 3.21Å; V2915-K2983 HydrophobicContact CG1-CB 4.25Å; S2979-K2983 WeakPolarHBondContact O-CB 3.23Å; S2979-K2983 PolarHBondContact O-N 3.22Å; S2979-K2983 VanDerWaalsContact O-N 3.12Å; S2980-K2983 WeakPolarHBondContact O-CB 3.22Å; S2980-K2983 PolarHBondContact O-N 3.44Å; D2981-K2983 VanDerWaalsContact C-N 3.33Å; D2981-K2983 PolarHBondContact O-N 3.44Å; K2983-L2985 VanDerWaalsContact C-N 3.32Å; K2983-L2985 PolarHBondContact O-N 3.14Å; K2983-A2986 HydrophobicContact CG-CB 4.18Å; K2983-A2986 CarbonylContact O-C 3.51Å; K2983-A2986 WeakPolarHBondContact O-CA 3.28Å; K2983-A2986 WeakPolarHBondContact O-CB 3.21Å; K2983-A2986 PolarHBondContact O-N 3.24Å; K2983-I2987 HydrophobicContact CD-CD1 3.94Å; K2983-I2987 HydrophobicContact CD-CG1 4.14Å; K2983-I2987 HydrophobicContact CG-CD1 4.18Å; K2983-I2987 HydrophobicContact CG-CG1 4.16Å; K2983-I2987 WeakPolarHBondContact O-CB 3.38Å; K2983-I2987 WeakPolarHBondContact O-CD1 3.18Å; K2983-I2987 VanDerWaalsContact O-CG1 3.25Å; K2983-I2987 WeakPolarHBondContact O-CG1 3.37Å; K2983-I2987 PolarHBondContact O-N 3.09Å; K2983-I2987 VanDerWaalsContact O-N 3.15Å |
| 2984 | P | 54 | Low | 51.4 | Low | 17.6 Ų | 17.6 | 48.6 Ų | 48.6 | 11% | 0.114 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.3 | -38.6 | 172.7 | -23.5 | 33.6 | 0 | 0 | 0 | 113.5 | S2948 L2952 S2980 D2981 L2982 A2986 I2987 I2988 | S2948-P2984 VanDerWaalsContact O-CB 3.3Å; S2948-P2984 WeakPolarHBondContact O-CB 3.38Å; S2948-P2984 WeakPolarHBondContact O-CG 3.34Å; L2952-P2984 HydrophobicContact CB-CB 4.24Å; L2952-P2984 HydrophobicContact CB-CG 4.39Å; L2952-P2984 HydrophobicContact CD2-CB 4.42Å; S2980-P2984 WeakPolarHBondContact O-CD 3.43Å; D2981-P2984 VanDerWaalsContact O-CD 3.24Å; D2981-P2984 WeakPolarHBondContact O-CD 3.29Å; D2981-P2984 VanDerWaalsContact O-CG 3.28Å; D2981-P2984 WeakPolarHBondContact O-CG 3.19Å; L2982-P2984 VanDerWaalsContact C-N 3.34Å; P2984-A2986 VanDerWaalsContact C-N 3.33Å; P2984-A2986 PolarHBondContact O-N 3.09Å; P2984-I2987 PolarHBondContact O-N 3.26Å; P2984-I2988 WeakPolarHBondContact O-CB 3.39Å; P2984-I2988 WeakPolarHBondContact O-CD1 3.36Å; P2984-I2988 VanDerWaalsContact O-CG1 3.25Å; P2984-I2988 WeakPolarHBondContact O-CG1 3.3Å; P2984-I2988 PolarHBondContact O-N 3.11Å; P2984-I2988 VanDerWaalsContact O-N 3.13Å |
| 2985 | L | 51.1 | Low | 50.5 | Low | 28.2 Ų | 28.2 | 51 Ų | 51 | 15% | 0.148 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 176.5 | -74.9 | 163.2 | 0 | 0 | 0 | 111.4 | I2892 L2928 I2932 Y2935 L2949 L2952 L2982 K2983 I2987 I2988 S2989 | I2892-L2985 HydrophobicContact CD1-CD1 4.25Å; L2928-L2985 HydrophobicContact CD1-CD1 4.08Å; L2928-L2985 HydrophobicContact CD2-CD1 4.23Å; L2928-L2985 HydrophobicContact CG-CD1 4.38Å; I2932-L2985 HydrophobicContact CD1-CD1 4.48Å; I2932-L2985 HydrophobicContact CD1-CD2 4.24Å; I2932-L2985 HydrophobicContact CG1-CD1 4.44Å; I2932-L2985 HydrophobicContact CG1-CD2 4.15Å; Y2935-L2985 HydrophobicContact CD2-CD2 3.92Å; Y2935-L2985 HydrophobicContact CE2-CD2 3.95Å; L2949-L2985 HydrophobicContact CD2-CD2 4.18Å; L2949-L2985 HydrophobicContact CD2-CG 4.34Å; L2952-L2985 HydrophobicContact CD1-CD1 3.99Å; L2952-L2985 HydrophobicContact CD2-CD1 3.45Å; L2952-L2985 VanDerWaalsContact CD2-CD1 3.44Å; L2952-L2985 HydrophobicContact CD2-CD2 3.87Å; L2952-L2985 HydrophobicContact CD2-CG 3.67Å; L2982-L2985 HydrophobicContact CD2-CD1 4.26Å; L2982-L2985 WeakPolarHBondContact O-CA 3.42Å; L2982-L2985 VanDerWaalsContact O-CB 3.31Å; L2982-L2985 WeakPolarHBondContact O-CB 3.45Å; L2982-L2985 PolarHBondContact O-N 3.21Å; L2982-L2985 VanDerWaalsContact O-N 3.07Å; K2983-L2985 VanDerWaalsContact C-N 3.32Å; K2983-L2985 PolarHBondContact O-N 3.14Å; L2985-I2987 VanDerWaalsContact C-N 3.32Å; L2985-I2987 PolarHBondContact O-N 3.14Å; L2985-I2988 PolarHBondContact O-N 3.22Å; L2985-S2989 WeakPolarHBondContact O-CB 3.4Å; L2985-S2989 PolarHBondContact O-N 3.04Å |
| 2986 | A | 48.7 | Very low | 49.7 | Very low | 23.2 Ų | 23.2 | 54.1 Ų | 54.1 | 19% | 0.192 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E2592 S2913 V2915 L2982 K2983 P2984 I2988 S2989 T2990 | E2592-A2986 HydrophobicContact CG-CB 3.94Å; S2913-A2986 WeakPolarHBondContact OG-CB 3.47Å; V2915-A2986 HydrophobicContact CG2-CB 4.08Å; L2982-A2986 PolarHBondContact O-N 3.21Å; L2982-A2986 VanDerWaalsContact O-N 3.11Å; K2983-A2986 HydrophobicContact CG-CB 4.18Å; K2983-A2986 CarbonylContact O-C 3.51Å; K2983-A2986 WeakPolarHBondContact O-CA 3.28Å; K2983-A2986 WeakPolarHBondContact O-CB 3.21Å; K2983-A2986 PolarHBondContact O-N 3.24Å; P2984-A2986 VanDerWaalsContact C-N 3.33Å; P2984-A2986 PolarHBondContact O-N 3.09Å; A2986-I2988 VanDerWaalsContact C-N 3.32Å; A2986-I2988 PolarHBondContact O-N 3.05Å; A2986-S2989 CarbonylContact O-C 3.59Å; A2986-S2989 WeakPolarHBondContact O-CA 3.4Å; A2986-S2989 WeakPolarHBondContact O-CB 3.32Å; A2986-S2989 PolarHBondContact O-N 3.18Å; A2986-S2989 PolarHBondContact O-OG 3.1Å; A2986-T2990 WeakPolarHBondContact O-CB 3.34Å; A2986-T2990 WeakPolarHBondContact O-CG2 3.3Å; A2986-T2990 PolarHBondContact O-N 3.02Å; A2986-T2990 VanDerWaalsContact O-N 3.13Å; A2986-T2990 PolarHBondContact O-OG1 3.33Å |
| 2987 | I | 49.6 | Very low | 48.9 | Very low | 75.2 Ų | 75.2 | 50.5 Ų | 50.5 | 39% | 0.386 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.1 | -38.6 | 175.5 | -67.7 | 165.7 | 0 | 0 | 0 | 110.9 | E2592 E2635 K2983 P2984 L2985 T2990 S2991 | E2592-I2987 WeakPolarHBondContact OE1-CA 3.36Å; E2592-I2987 PolarHBondContact OE1-N 3.22Å; E2592-I2987 VanDerWaalsContact OE1-N 3.09Å; E2592-I2987 WeakPolarHBondContact OE2-CG1 3.22Å; E2592-I2987 PolarHBondContact OE2-N 3.2Å; E2635-I2987 HydrophobicContact CG-CD1 4.5Å; K2983-I2987 HydrophobicContact CD-CD1 3.94Å; K2983-I2987 HydrophobicContact CD-CG1 4.14Å; K2983-I2987 HydrophobicContact CG-CD1 4.18Å; K2983-I2987 HydrophobicContact CG-CG1 4.16Å; K2983-I2987 WeakPolarHBondContact O-CB 3.38Å; K2983-I2987 WeakPolarHBondContact O-CD1 3.18Å; K2983-I2987 VanDerWaalsContact O-CG1 3.25Å; K2983-I2987 WeakPolarHBondContact O-CG1 3.37Å; K2983-I2987 PolarHBondContact O-N 3.09Å; K2983-I2987 VanDerWaalsContact O-N 3.15Å; P2984-I2987 PolarHBondContact O-N 3.26Å; L2985-I2987 VanDerWaalsContact C-N 3.32Å; L2985-I2987 PolarHBondContact O-N 3.14Å; I2987-T2990 VanDerWaalsContact C-OG1 3.24Å; I2987-T2990 VanDerWaalsContact CA-OG1 3.28Å; I2987-T2990 WeakPolarHBondContact CA-OG1 3.26Å; I2987-T2990 PolarHBondContact O-N 3.49Å; I2987-T2990 PolarHBondContact O-OG1 3.2Å; I2987-T2990 VanDerWaalsContact O-OG1 3.1Å; I2987-S2991 WeakPolarHBondContact O-CB 3.34Å; I2987-S2991 PolarHBondContact O-N 3.22Å; I2987-S2991 PolarHBondContact O-OG 3.14Å |
| 2988 | I | 47.8 | Very low | 48.2 | Very low | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72.2 | -45.1 | 179.2 | -71.1 | 166.6 | 0 | 0 | 0 | 110.5 | Y2935 L2941 Q2945 L2949 P2984 L2985 A2986 T2990 S2991 I2992 | Y2935-I2988 HydrophobicContact CD1-CG2 4.2Å; Y2935-I2988 HydrophobicContact CE1-CD1 4.36Å; Y2935-I2988 HydrophobicContact CE1-CG2 3.99Å; Y2935-I2988 HydrophobicContact CE2-CG2 4.24Å; Y2935-I2988 HydrophobicContact CG-CG2 4.26Å; Y2935-I2988 WeakPolarHBondContact OH-CG2 3.32Å; L2941-I2988 HydrophobicContact CD2-CB 4.31Å; L2941-I2988 HydrophobicContact CD2-CD1 3.79Å; L2941-I2988 HydrophobicContact CD2-CG1 3.8Å; L2941-I2988 HydrophobicContact CD2-CG2 3.88Å; Q2945-I2988 HydrophobicContact CB-CD1 4.17Å; Q2945-I2988 HydrophobicContact CB-CG1 4.12Å; Q2945-I2988 HydrophobicContact CG-CD1 4.37Å; Q2945-I2988 HydrophobicContact CG-CG1 4.09Å; Q2945-I2988 WeakPolarHBondContact O-CD1 3.48Å; L2949-I2988 HydrophobicContact CD1-CD1 3.69Å; L2949-I2988 VanDerWaalsContact CD1-CD1 3.4Å; L2949-I2988 HydrophobicContact CD2-CD1 3.71Å; L2949-I2988 HydrophobicContact CG-CD1 3.58Å; P2984-I2988 WeakPolarHBondContact O-CB 3.39Å; P2984-I2988 WeakPolarHBondContact O-CD1 3.36Å; P2984-I2988 VanDerWaalsContact O-CG1 3.25Å; P2984-I2988 WeakPolarHBondContact O-CG1 3.3Å; P2984-I2988 PolarHBondContact O-N 3.11Å; P2984-I2988 VanDerWaalsContact O-N 3.13Å; L2985-I2988 PolarHBondContact O-N 3.22Å; A2986-I2988 VanDerWaalsContact C-N 3.32Å; A2986-I2988 PolarHBondContact O-N 3.05Å; I2988-T2990 VanDerWaalsContact C-N 3.28Å; I2988-T2990 PolarHBondContact O-N 3.21Å; I2988-S2991 WeakPolarHBondContact CA-OG 3.31Å; I2988-S2991 CarbonylContact O-C 3.55Å; I2988-S2991 WeakPolarHBondContact O-CA 3.41Å; I2988-S2991 WeakPolarHBondContact O-CB 3Å; I2988-S2991 PolarHBondContact O-N 3.2Å; I2988-S2991 VanDerWaalsContact O-N 3.15Å; I2988-S2991 PolarHBondContact O-OG 3.1Å; I2988-I2992 VanDerWaalsContact C-CD1 3.49Å; I2988-I2992 HydrophobicContact CB-CD1 4.49Å; I2988-I2992 HydrophobicContact CG2-CD1 3.71Å; I2988-I2992 VanDerWaalsContact CG2-CD1 3.42Å; I2988-I2992 HydrophobicContact CG2-CG1 4.28Å; I2988-I2992 WeakPolarHBondContact O-CD1 3.24Å; I2988-I2992 VanDerWaalsContact O-CG1 3.25Å; I2988-I2992 WeakPolarHBondContact O-CG1 3.28Å; I2988-I2992 PolarHBondContact O-N 3.36Å; I2988-I2992 VanDerWaalsContact O-N 3.14Å |
| 2989 | S | 44.8 | Very low | 47.4 | Very low | 31.6 Ų | 31.6 | 60 Ų | 60 | 22% | 0.221 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57 | -44.3 | 175.2 | 162.7 | 0 | 0 | 0 | 0 | 112.4 | I2889 L2985 A2986 S2991 I2992 K2993 | I2889-S2989 WeakPolarHBondContact CD1-OG 3.49Å; L2985-S2989 WeakPolarHBondContact O-CB 3.4Å; L2985-S2989 PolarHBondContact O-N 3.04Å; A2986-S2989 CarbonylContact O-C 3.59Å; A2986-S2989 WeakPolarHBondContact O-CA 3.4Å; A2986-S2989 WeakPolarHBondContact O-CB 3.32Å; A2986-S2989 PolarHBondContact O-N 3.18Å; A2986-S2989 PolarHBondContact O-OG 3.1Å; S2989-S2991 VanDerWaalsContact C-N 3.3Å; S2989-S2991 PolarHBondContact O-N 3.23Å; S2989-I2992 WeakPolarHBondContact O-CB 3.25Å; S2989-I2992 PolarHBondContact O-N 3.17Å; S2989-I2992 VanDerWaalsContact O-N 3.08Å; S2989-K2993 PolarHBondContact O-N 3.25Å |
| 2990 | T | 42.5 | Very low | 47.1 | Very low | 75.2 Ų | 75.2 | 58.6 Ų | 58.6 | 46% | 0.461 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 176.9 | 48.1 | 0 | 0 | 0 | 0 | 112.5 | E2588 E2592 A2986 I2987 I2988 I2992 K2993 S2994 | E2588-T2990 HydrophobicContact CB-CG2 4.37Å; E2588-T2990 HydrophobicContact CG-CG2 4.17Å; E2592-T2990 WeakPolarHBondContact OE1-CG2 3.36Å; E2592-T2990 PolarHBondContact OE1-OG1 2.84Å; A2986-T2990 WeakPolarHBondContact O-CB 3.34Å; A2986-T2990 WeakPolarHBondContact O-CG2 3.3Å; A2986-T2990 PolarHBondContact O-N 3.02Å; A2986-T2990 VanDerWaalsContact O-N 3.13Å; A2986-T2990 PolarHBondContact O-OG1 3.33Å; I2987-T2990 VanDerWaalsContact C-OG1 3.24Å; I2987-T2990 VanDerWaalsContact CA-OG1 3.28Å; I2987-T2990 WeakPolarHBondContact CA-OG1 3.26Å; I2987-T2990 PolarHBondContact O-N 3.49Å; I2987-T2990 PolarHBondContact O-OG1 3.2Å; I2987-T2990 VanDerWaalsContact O-OG1 3.1Å; I2988-T2990 VanDerWaalsContact C-N 3.28Å; I2988-T2990 PolarHBondContact O-N 3.21Å; T2990-I2992 VanDerWaalsContact C-N 3.29Å; T2990-I2992 PolarHBondContact O-N 3.29Å; T2990-I2992 VanDerWaalsContact O-N 3.09Å; T2990-K2993 CarbonylContact O-C 3.47Å; T2990-K2993 WeakPolarHBondContact O-CA 3.14Å; T2990-K2993 PolarHBondContact O-N 3.3Å; T2990-S2994 WeakPolarHBondContact O-CB 3.28Å; T2990-S2994 PolarHBondContact O-N 3.01Å; T2990-S2994 PolarHBondContact O-OG 2.82Å; T2990-S2994 VanDerWaalsContact O-OG 3.09Å |
| 2991 | S | 42.7 | Very low | 46.9 | Very low | 38.4 Ų | 38.4 | 58.4 Ų | 58.4 | 27% | 0.269 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -72.2 | -11.6 | 176.8 | 78.9 | 0 | 0 | 0 | 0 | 114.8 | Q2945 I2987 I2988 S2989 S2994 Q2995 | Q2945-S2991 PolarHBondContact NE2-OG 2.91Å; I2987-S2991 WeakPolarHBondContact O-CB 3.34Å; I2987-S2991 PolarHBondContact O-N 3.22Å; I2987-S2991 PolarHBondContact O-OG 3.14Å; I2988-S2991 WeakPolarHBondContact CA-OG 3.31Å; I2988-S2991 CarbonylContact O-C 3.55Å; I2988-S2991 WeakPolarHBondContact O-CA 3.41Å; I2988-S2991 WeakPolarHBondContact O-CB 3Å; I2988-S2991 PolarHBondContact O-N 3.2Å; I2988-S2991 VanDerWaalsContact O-N 3.15Å; I2988-S2991 PolarHBondContact O-OG 3.1Å; S2989-S2991 VanDerWaalsContact C-N 3.3Å; S2989-S2991 PolarHBondContact O-N 3.23Å; S2991-S2994 PolarHBondContact O-OG 3.1Å; S2991-Q2995 WeakPolarHBondContact O-CG 3.43Å |
| 2992 | I | 41.3 | Very low | 46.7 | Very low | 42.6 Ų | 42.6 | 60.3 Ų | 60.3 | 22% | 0.218 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -88.2 | -20.5 | 177.4 | -66.3 | 158.6 | 0 | 0 | 0 | 112.4 | Y2935 L2938 K2939 I2988 S2989 T2990 S2994 Q2995 I2996 S2997 Q2998 | Y2935-I2992 HydrophobicContact CD1-CD1 3.79Å; Y2935-I2992 HydrophobicContact CE1-CD1 3.53Å; Y2935-I2992 HydrophobicContact CE1-CG1 3.56Å; Y2935-I2992 HydrophobicContact CE2-CD1 4.14Å; Y2935-I2992 VanDerWaalsContact OH-CD1 3.27Å; Y2935-I2992 WeakPolarHBondContact OH-CD1 3.25Å; Y2935-I2992 WeakPolarHBondContact OH-CG1 3.34Å; Y2935-I2992 WeakPolarHBondContact OH-CG2 3.47Å; L2938-I2992 HydrophobicContact CD1-CD1 3.52Å; L2938-I2992 HydrophobicContact CD1-CG1 4.29Å; K2939-I2992 HydrophobicContact CD-CG1 4.17Å; K2939-I2992 HydrophobicContact CD-CG2 4.19Å; K2939-I2992 PolarHBondContact NZ-O 3.27Å; K2939-I2992 VanDerWaalsContact NZ-O 3.14Å; I2988-I2992 VanDerWaalsContact C-CD1 3.49Å; I2988-I2992 HydrophobicContact CB-CD1 4.49Å; I2988-I2992 HydrophobicContact CG2-CD1 3.71Å; I2988-I2992 VanDerWaalsContact CG2-CD1 3.42Å; I2988-I2992 HydrophobicContact CG2-CG1 4.28Å; I2988-I2992 WeakPolarHBondContact O-CD1 3.24Å; I2988-I2992 VanDerWaalsContact O-CG1 3.25Å; I2988-I2992 WeakPolarHBondContact O-CG1 3.28Å; I2988-I2992 PolarHBondContact O-N 3.36Å; I2988-I2992 VanDerWaalsContact O-N 3.14Å; S2989-I2992 WeakPolarHBondContact O-CB 3.25Å; S2989-I2992 PolarHBondContact O-N 3.17Å; S2989-I2992 VanDerWaalsContact O-N 3.08Å; T2990-I2992 VanDerWaalsContact C-N 3.29Å; T2990-I2992 PolarHBondContact O-N 3.29Å; T2990-I2992 VanDerWaalsContact O-N 3.09Å; I2992-S2994 VanDerWaalsContact C-N 3.27Å; I2992-S2994 PolarHBondContact O-N 3.19Å; I2992-Q2995 PolarHBondContact O-N 3.35Å; I2992-Q2995 VanDerWaalsContact O-N 3.09Å; I2992-I2996 HydrophobicContact CG2-CD1 3.68Å; I2992-I2996 VanDerWaalsContact CG2-CD1 3.47Å; I2992-I2996 HydrophobicContact CG2-CG1 4.16Å; I2992-I2996 PolarHBondContact O-N 2.78Å; I2992-S2997 WeakPolarHBondContact CG2-OG 3.13Å; I2992-Q2998 VanDerWaalsContact O-CG 3.26Å; I2992-Q2998 WeakPolarHBondContact O-CG 3.32Å |
| 2993 | K | 38.6 | Very low | 46.7 | Very low | 138 Ų | 138 | 60.8 Ų | 60.8 | 60% | 0.6 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -75.4 | -6.9 | -178.9 | -74.1 | -174.2 | 172.5 | -176.9 | 0 | 114.5 | N2581 D2886 S2989 T2990 Q2995 | N2581-K2993 PolarHBondContact OD1-NZ 3.26Å; D2886-K2993 IonicContact OD1-NZ 3.2Å; D2886-K2993 PolarHBondContact OD1-NZ 3.05Å; D2886-K2993 IonicContact OD2-NZ 2.68Å; D2886-K2993 PolarHBondContact OD2-NZ 3.31Å; S2989-K2993 PolarHBondContact O-N 3.25Å; T2990-K2993 CarbonylContact O-C 3.47Å; T2990-K2993 WeakPolarHBondContact O-CA 3.14Å; T2990-K2993 PolarHBondContact O-N 3.3Å; K2993-Q2995 PolarHBondContact O-N 3.19Å |
| 2994 | S | 39.8 | Very low | 46.6 | Very low | 77.8 Ų | 77.8 | 56.6 Ų | 56.6 | 54% | 0.544 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 37.6 | -175.1 | 74.2 | 0 | 0 | 0 | 0 | 116.5 | K2939 T2990 S2991 I2992 I2996 S2997 Q2998 | K2939-S2994 PolarHBondContact NZ-OG 2.89Å; T2990-S2994 WeakPolarHBondContact O-CB 3.28Å; T2990-S2994 PolarHBondContact O-N 3.01Å; T2990-S2994 PolarHBondContact O-OG 2.82Å; T2990-S2994 VanDerWaalsContact O-OG 3.09Å; S2991-S2994 PolarHBondContact O-OG 3.1Å; I2992-S2994 VanDerWaalsContact C-N 3.27Å; I2992-S2994 PolarHBondContact O-N 3.19Å; S2994-I2996 PolarHBondContact O-N 3.17Å; S2994-S2997 PolarHBondContact O-N 3.29Å; S2994-S2997 PolarHBondContact O-OG 3.04Å; S2994-S2997 PolarHBondContact OG-OG 3.26Å; S2994-Q2998 WeakPolarHBondContact O-CG 3.32Å; S2994-Q2998 PolarHBondContact O-N 3.26Å; S2994-Q2998 PolarHBondContact O-OE1 2.77Å |
| 2995 | Q | 38 | Very low | 46.9 | Very low | 129 Ų | 129 | 57.1 Ų | 57.1 | 60% | 0.603 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 1 | -164.8 | -67 | 179.5 | -3.2 | 0 | 0 | 116.6 | Y2118 P2940 S2991 I2992 K2993 S2997 Q2998 E2999 | Y2118-Q2995 HydrophobicContact CE1-CG 4.48Å; Y2118-Q2995 WeakPolarHBondContact OH-CG 3.16Å; Y2118-Q2995 PolarHBondContact OH-NE2 3.26Å; Y2118-Q2995 VanDerWaalsContact OH-NE2 3.08Å; P2940-Q2995 VanDerWaalsContact CD-OE1 3.27Å; S2991-Q2995 WeakPolarHBondContact O-CG 3.43Å; I2992-Q2995 PolarHBondContact O-N 3.35Å; I2992-Q2995 VanDerWaalsContact O-N 3.09Å; K2993-Q2995 PolarHBondContact O-N 3.19Å; Q2995-S2997 VanDerWaalsContact C-N 3.27Å; Q2995-S2997 PolarHBondContact O-N 2.83Å; Q2995-Q2998 VanDerWaalsContact N-OE1 3.1Å; Q2995-Q2998 CarbonylContact O-C 3.37Å; Q2995-Q2998 WeakPolarHBondContact O-CA 3.48Å; Q2995-Q2998 WeakPolarHBondContact O-CB 3.29Å; Q2995-Q2998 PolarHBondContact O-N 2.79Å; Q2995-E2999 WeakPolarHBondContact O-CG 3.08Å; Q2995-E2999 PolarHBondContact O-N 3.18Å |
| 2996 | I | 39.2 | Very low | 47.5 | Very low | 65.4 Ų | 65.4 | 57 Ų | 57 | 34% | 0.335 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -102.3 | 129.8 | 178 | -55.2 | 173.9 | 0 | 0 | 0 | 109.8 | F2066 I2992 S2994 Q2998 T3000 M3001 Y3148 | F2066-I2996 HydrophobicContact CB-CG2 4.31Å; F2066-I2996 HydrophobicContact CD2-CD1 3.72Å; F2066-I2996 HydrophobicContact CD2-CG1 4.07Å; F2066-I2996 HydrophobicContact CD2-CG2 3.81Å; F2066-I2996 HydrophobicContact CE2-CD1 3.95Å; F2066-I2996 HydrophobicContact CE2-CG2 4.42Å; F2066-I2996 HydrophobicContact CG-CG2 4.26Å; I2992-I2996 HydrophobicContact CG2-CD1 3.68Å; I2992-I2996 VanDerWaalsContact CG2-CD1 3.47Å; I2992-I2996 HydrophobicContact CG2-CG1 4.16Å; I2992-I2996 PolarHBondContact O-N 2.78Å; S2994-I2996 PolarHBondContact O-N 3.17Å; I2996-Q2998 PolarHBondContact O-N 2.67Å; I2996-Q2998 VanDerWaalsContact O-N 3.09Å; I2996-T3000 HydrophobicContact CG2-CG2 3.98Å; I2996-T3000 PolarHBondContact O-N 2.98Å; I2996-T3000 VanDerWaalsContact O-N 3.1Å; I2996-T3000 PolarHBondContact O-OG1 3.05Å; I2996-M3001 HydrophobicContact CB-CG 4.2Å; I2996-M3001 HydrophobicContact CD1-SD 4.31Å; I2996-M3001 HydrophobicContact CG2-CG 3.89Å; I2996-M3001 HydrophobicContact CG2-SD 4.27Å; I2996-Y3148 HydrophobicContact CD1-CD1 3.93Å; I2996-Y3148 HydrophobicContact CD1-CD2 3.57Å; I2996-Y3148 HydrophobicContact CD1-CE1 4.02Å; I2996-Y3148 HydrophobicContact CD1-CE2 3.71Å; I2996-Y3148 HydrophobicContact CD1-CG 3.73Å; I2996-Y3148 HydrophobicContact CG1-CD2 3.66Å; I2996-Y3148 HydrophobicContact CG1-CE2 3.6Å; I2996-Y3148 HydrophobicContact CG1-CG 4.34Å |
| 2997 | S | 46.3 | Very low | 48.1 | Very low | 46 Ų | 46 | 56.2 Ų | 56.2 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | trans | -68.5 | 130.7 | 175.9 | 63.3 | 0 | 0 | 0 | 0 | 111.6 | K2939 I2992 S2994 Q2995 E2999 T3000 M3001 N3145 | K2939-S2997 WeakPolarHBondContact CE-OG 3.2Å; K2939-S2997 PolarHBondContact NZ-OG 3.39Å; I2992-S2997 WeakPolarHBondContact CG2-OG 3.13Å; S2994-S2997 PolarHBondContact O-N 3.29Å; S2994-S2997 PolarHBondContact O-OG 3.04Å; S2994-S2997 PolarHBondContact OG-OG 3.26Å; Q2995-S2997 VanDerWaalsContact C-N 3.27Å; Q2995-S2997 PolarHBondContact O-N 2.83Å; S2997-E2999 VanDerWaalsContact C-N 3.29Å; S2997-E2999 PolarHBondContact O-N 2.96Å; S2997-T3000 WeakPolarHBondContact O-CA 3.46Å; S2997-T3000 WeakPolarHBondContact O-CB 3.47Å; S2997-T3000 PolarHBondContact O-N 3.13Å; S2997-T3000 VanDerWaalsContact O-N 3.17Å; S2997-T3000 PolarHBondContact O-OG1 3.39Å; S2997-T3000 WeakPolarHBondContact OG-CB 3.45Å; S2997-T3000 PolarHBondContact OG-N 3.29Å; S2997-T3000 PolarHBondContact OG-OG1 3.11Å; S2997-M3001 PolarHBondContact O-N 3.1Å; S2997-M3001 VanDerWaalsContact O-N 3.08Å; S2997-N3145 VanDerWaalsContact CB-ND2 3.32Å; S2997-N3145 WeakPolarHBondContact CB-ND2 3.27Å; S2997-N3145 PolarHBondContact N-OD1 3.5Å; S2997-N3145 VanDerWaalsContact N-OD1 3.15Å; S2997-N3145 PolarHBondContact OG-ND2 3.3Å | ||
| 2998 | Q | 44.7 | Very low | 48.7 | Very low | 105.2 Ų | 105.2 | 55.5 Ų | 55.5 | 49% | 0.492 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.1 | -39.4 | -177.2 | -141.6 | 163.2 | -17.9 | 0 | 0 | 111.4 | L2878 Y2910 I2992 S2994 Q2995 I2996 T3000 M3001 T3002 | L2878-Q2998 HydrophobicContact CD2-CG 4.07Å; Y2910-Q2998 HydrophobicContact CE1-CG 3.99Å; Y2910-Q2998 VanDerWaalsContact CE1-NE2 3.33Å; Y2910-Q2998 PolarHBondContact OH-NE2 3.09Å; I2992-Q2998 VanDerWaalsContact O-CG 3.26Å; I2992-Q2998 WeakPolarHBondContact O-CG 3.32Å; S2994-Q2998 WeakPolarHBondContact O-CG 3.32Å; S2994-Q2998 PolarHBondContact O-N 3.26Å; S2994-Q2998 PolarHBondContact O-OE1 2.77Å; Q2995-Q2998 VanDerWaalsContact N-OE1 3.1Å; Q2995-Q2998 CarbonylContact O-C 3.37Å; Q2995-Q2998 WeakPolarHBondContact O-CA 3.48Å; Q2995-Q2998 WeakPolarHBondContact O-CB 3.29Å; Q2995-Q2998 PolarHBondContact O-N 2.79Å; I2996-Q2998 PolarHBondContact O-N 2.67Å; I2996-Q2998 VanDerWaalsContact O-N 3.09Å; Q2998-T3000 VanDerWaalsContact C-N 3.33Å; Q2998-T3000 PolarHBondContact O-N 3.12Å; Q2998-M3001 PolarHBondContact O-N 3.38Å; Q2998-T3002 WeakPolarHBondContact O-CB 3.35Å; Q2998-T3002 PolarHBondContact O-N 3.11Å; Q2998-T3002 VanDerWaalsContact O-N 3.1Å; Q2998-T3002 PolarHBondContact O-OG1 2.99Å |
| 2999 | E | 46.1 | Very low | 49.6 | Very low | 116.4 Ų | 116.4 | 55.8 Ų | 55.8 | 54% | 0.544 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.2 | -40.2 | 174.4 | -62.5 | -177.5 | 150.2 | 0 | 0 | 112.9 | N2065 Q2995 S2997 M3001 T3002 S3003 K3122 | N2065-E2999 PolarHBondContact ND2-OE1 2.74Å; N2065-E2999 PolarHBondContact ND2-OE2 3.26Å; Q2995-E2999 WeakPolarHBondContact O-CG 3.08Å; Q2995-E2999 PolarHBondContact O-N 3.18Å; S2997-E2999 VanDerWaalsContact C-N 3.29Å; S2997-E2999 PolarHBondContact O-N 2.96Å; E2999-M3001 VanDerWaalsContact C-N 3.33Å; E2999-M3001 PolarHBondContact O-N 3.21Å; E2999-T3002 WeakPolarHBondContact O-CB 3.4Å; E2999-T3002 PolarHBondContact O-N 3.18Å; E2999-T3002 PolarHBondContact O-OG1 2.76Å; E2999-S3003 WeakPolarHBondContact O-CB 3.35Å; E2999-S3003 PolarHBondContact O-N 3.26Å; E2999-S3003 PolarHBondContact O-OG 3.17Å; E2999-K3122 IonicContact OE2-NZ 2.93Å; E2999-K3122 PolarHBondContact OE2-NZ 2.83Å |
| 3000 | T | 47.4 | Very low | 50.8 | Low | 15 Ų | 15 | 55.1 Ų | 55.1 | 9% | 0.092 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -71.1 | -39.3 | 178.5 | -46.5 | 0 | 0 | 0 | 0 | 111.9 | T2931 Y2935 L2938 I2996 S2997 Q2998 T3002 S3003 C3004 N3145 L3149 | T2931-T3000 HydrophobicContact CG2-CG2 4.18Å; Y2935-T3000 HydrophobicContact CD2-CG2 3.65Å; Y2935-T3000 HydrophobicContact CG-CG2 4.26Å; L2938-T3000 HydrophobicContact CD1-CG2 4.46Å; I2996-T3000 HydrophobicContact CG2-CG2 3.98Å; I2996-T3000 PolarHBondContact O-N 2.98Å; I2996-T3000 VanDerWaalsContact O-N 3.1Å; I2996-T3000 PolarHBondContact O-OG1 3.05Å; S2997-T3000 WeakPolarHBondContact O-CA 3.46Å; S2997-T3000 WeakPolarHBondContact O-CB 3.47Å; S2997-T3000 PolarHBondContact O-N 3.13Å; S2997-T3000 VanDerWaalsContact O-N 3.17Å; S2997-T3000 PolarHBondContact O-OG1 3.39Å; S2997-T3000 WeakPolarHBondContact OG-CB 3.45Å; S2997-T3000 PolarHBondContact OG-N 3.29Å; S2997-T3000 PolarHBondContact OG-OG1 3.11Å; Q2998-T3000 VanDerWaalsContact C-N 3.33Å; Q2998-T3000 PolarHBondContact O-N 3.12Å; T3000-T3002 VanDerWaalsContact C-N 3.31Å; T3000-T3002 PolarHBondContact O-N 3.27Å; T3000-S3003 PolarHBondContact O-N 2.93Å; T3000-C3004 WeakPolarHBondContact O-CB 3.1Å; T3000-C3004 PolarHBondContact O-N 3.17Å; T3000-C3004 VanDerWaalsContact O-N 3.09Å; T3000-C3004 PolarHBondContact O-SG 3.01Å; T3000-C3004 VanDerWaalsContact O-SG 3.35Å; T3000-N3145 HydrophobicContact CG2-CB 4.09Å; T3000-N3145 VanDerWaalsContact CG2-CG 3.46Å; T3000-N3145 VanDerWaalsContact CG2-OD1 3.31Å; T3000-N3145 WeakPolarHBondContact CG2-OD1 3.47Å; T3000-L3149 HydrophobicContact CG2-CD1 4.38Å; T3000-L3149 HydrophobicContact CG2-CD2 4.13Å; T3000-L3149 HydrophobicContact CG2-CG 3.82Å |
| 3001 | M | 50.9 | Low | 51.9 | Low | 60.8 Ų | 60.8 | 54.4 Ų | 54.4 | 30% | 0.3 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 175 | -94.9 | -52.8 | -80.5 | 0 | 0 | 111.6 | I2944 I2996 S2997 Q2998 E2999 S3003 C3004 T3005 I3287 | I2944-M3001 HydrophobicContact CB-CE 4.43Å; I2944-M3001 HydrophobicContact CD1-CE 4.01Å; I2944-M3001 HydrophobicContact CD1-SD 4.38Å; I2944-M3001 HydrophobicContact CG2-CE 4.3Å; I2996-M3001 HydrophobicContact CB-CG 4.2Å; I2996-M3001 HydrophobicContact CD1-SD 4.31Å; I2996-M3001 HydrophobicContact CG2-CG 3.89Å; I2996-M3001 HydrophobicContact CG2-SD 4.27Å; S2997-M3001 PolarHBondContact O-N 3.1Å; S2997-M3001 VanDerWaalsContact O-N 3.08Å; Q2998-M3001 PolarHBondContact O-N 3.38Å; E2999-M3001 VanDerWaalsContact C-N 3.33Å; E2999-M3001 PolarHBondContact O-N 3.21Å; M3001-S3003 VanDerWaalsContact C-N 3.32Å; M3001-S3003 PolarHBondContact O-N 3.04Å; M3001-C3004 HydrophobicContact CE-CB 4.49Å; M3001-C3004 PolarHBondContact O-N 3.1Å; M3001-T3005 WeakPolarHBondContact CE-OG1 3.37Å; M3001-T3005 VanDerWaalsContact O-CB 3.28Å; M3001-T3005 WeakPolarHBondContact O-CB 3.41Å; M3001-T3005 PolarHBondContact O-N 2.88Å; M3001-T3005 PolarHBondContact O-OG1 3.23Å; M3001-I3287 HydrophobicContact SD-CG2 4.34Å |
| 3002 | T | 56 | Low | 52.9 | Low | 60.8 Ų | 60.8 | 53.7 Ų | 53.7 | 37% | 0.373 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 175.1 | -40.8 | 0 | 0 | 0 | 0 | 111.1 | T2874 V2881 Q2998 E2999 T3000 C3004 T3005 D3006 | T2874-T3002 HydrophobicContact CG2-CG2 3.86Å; V2881-T3002 HydrophobicContact CG1-CG2 4.49Å; Q2998-T3002 WeakPolarHBondContact O-CB 3.35Å; Q2998-T3002 PolarHBondContact O-N 3.11Å; Q2998-T3002 VanDerWaalsContact O-N 3.1Å; Q2998-T3002 PolarHBondContact O-OG1 2.99Å; E2999-T3002 WeakPolarHBondContact O-CB 3.4Å; E2999-T3002 PolarHBondContact O-N 3.18Å; E2999-T3002 PolarHBondContact O-OG1 2.76Å; T3000-T3002 VanDerWaalsContact C-N 3.31Å; T3000-T3002 PolarHBondContact O-N 3.27Å; T3002-C3004 PolarHBondContact O-N 3.2Å; T3002-T3005 VanDerWaalsContact CA-OG1 3.31Å; T3002-T3005 WeakPolarHBondContact CA-OG1 3.35Å; T3002-T3005 WeakPolarHBondContact O-CB 3.38Å; T3002-T3005 PolarHBondContact O-N 3.17Å; T3002-T3005 VanDerWaalsContact O-N 3.14Å; T3002-T3005 PolarHBondContact O-OG1 3.43Å; T3002-D3006 WeakPolarHBondContact O-CB 3.36Å; T3002-D3006 PolarHBondContact O-N 3.08Å |
| 3003 | S | 55.6 | Low | 54.4 | Low | 18.8 Ų | 18.8 | 52 Ų | 52 | 13% | 0.131 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 178.7 | -58.6 | 0 | 0 | 0 | 0 | 112.9 | E2999 T3000 M3001 T3005 L3007 | E2999-S3003 WeakPolarHBondContact O-CB 3.35Å; E2999-S3003 PolarHBondContact O-N 3.26Å; E2999-S3003 PolarHBondContact O-OG 3.17Å; T3000-S3003 PolarHBondContact O-N 2.93Å; M3001-S3003 VanDerWaalsContact C-N 3.32Å; M3001-S3003 PolarHBondContact O-N 3.04Å; S3003-T3005 VanDerWaalsContact C-N 3.33Å; S3003-L3007 WeakPolarHBondContact O-CB 3.38Å; S3003-L3007 VanDerWaalsContact O-CD1 3.24Å; S3003-L3007 WeakPolarHBondContact O-CD1 3.5Å; S3003-L3007 WeakPolarHBondContact O-CG 3.18Å; S3003-L3007 PolarHBondContact O-N 3.09Å; S3003-L3007 VanDerWaalsContact O-N 3.11Å |
| 3004 | C | 54.5 | Low | 55.9 | Low | 18.2 Ų | 18.2 | 49.6 Ų | 49.6 | 12% | 0.123 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.1 | -38 | 175.3 | -70.4 | 0 | 0 | 0 | 0 | 112.2 | I2944 T3000 M3001 T3002 L3007 L3008 I3152 | I2944-C3004 HydrophobicContact CD1-CB 4.2Å; T3000-C3004 WeakPolarHBondContact O-CB 3.1Å; T3000-C3004 PolarHBondContact O-N 3.17Å; T3000-C3004 VanDerWaalsContact O-N 3.09Å; T3000-C3004 PolarHBondContact O-SG 3.01Å; T3000-C3004 VanDerWaalsContact O-SG 3.35Å; M3001-C3004 HydrophobicContact CE-CB 4.49Å; M3001-C3004 PolarHBondContact O-N 3.1Å; T3002-C3004 PolarHBondContact O-N 3.2Å; C3004-L3007 PolarHBondContact O-N 3.38Å; C3004-L3008 VanDerWaalsContact O-CB 3.28Å; C3004-L3008 WeakPolarHBondContact O-CB 3.36Å; C3004-L3008 WeakPolarHBondContact O-CD1 3.48Å; C3004-L3008 VanDerWaalsContact O-CG 3.31Å; C3004-L3008 WeakPolarHBondContact O-CG 3.4Å; C3004-L3008 PolarHBondContact O-N 2.9Å; C3004-I3152 HydrophobicContact CB-CD1 3.82Å; C3004-I3152 HydrophobicContact CB-CG2 4.49Å |
| 3005 | T | 59.1 | Low | 57 | Low | 29 Ų | 29 | 48 Ų | 48 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.9 | -45.1 | 178.5 | -44.2 | 0 | 0 | 0 | 0 | 111.6 | T2942 M3001 T3002 S3003 L3007 L3008 N3009 | T2942-T3005 HydrophobicContact CG2-CG2 4.39Å; M3001-T3005 WeakPolarHBondContact CE-OG1 3.37Å; M3001-T3005 VanDerWaalsContact O-CB 3.28Å; M3001-T3005 WeakPolarHBondContact O-CB 3.41Å; M3001-T3005 PolarHBondContact O-N 2.88Å; M3001-T3005 PolarHBondContact O-OG1 3.23Å; T3002-T3005 VanDerWaalsContact CA-OG1 3.31Å; T3002-T3005 WeakPolarHBondContact CA-OG1 3.35Å; T3002-T3005 WeakPolarHBondContact O-CB 3.38Å; T3002-T3005 PolarHBondContact O-N 3.17Å; T3002-T3005 VanDerWaalsContact O-N 3.14Å; T3002-T3005 PolarHBondContact O-OG1 3.43Å; S3003-T3005 VanDerWaalsContact C-N 3.33Å; T3005-L3007 VanDerWaalsContact C-N 3.31Å; T3005-L3007 PolarHBondContact O-N 3.05Å; T3005-L3008 WeakPolarHBondContact O-CB 3.37Å; T3005-L3008 PolarHBondContact O-N 3.06Å; T3005-N3009 WeakPolarHBondContact O-CB 3.31Å; T3005-N3009 PolarHBondContact O-N 2.9Å; T3005-N3009 PolarHBondContact O-ND2 3.39Å; T3005-N3009 PolarHBondContact O-OD1 3.1Å; T3005-N3009 VanDerWaalsContact O-OD1 3.1Å |
| 3006 | D | 63.3 | Low | 58.4 | Low | 25.2 Ų | 25.2 | 43 Ų | 43 | 14% | 0.135 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.2 | -41.9 | 177.2 | -84.4 | 7 | 0 | 0 | 0 | 112.1 | T3002 N3009 Y3010 Y3108 I3112 | T3002-D3006 WeakPolarHBondContact O-CB 3.36Å; T3002-D3006 PolarHBondContact O-N 3.08Å; D3006-N3009 PolarHBondContact O-N 3.31Å; D3006-Y3010 VanDerWaalsContact O-CB 3.32Å; D3006-Y3010 WeakPolarHBondContact O-CB 3.36Å; D3006-Y3010 PolarHBondContact O-N 3.22Å; D3006-Y3108 HydrophobicContact CB-CE1 4.32Å; D3006-Y3108 PolarHBondContact OD2-OH 2.85Å; D3006-I3112 HydrophobicContact CB-CD1 4.4Å; D3006-I3112 HydrophobicContact CB-CG1 4.36Å |
| 3007 | L | 63 | Low | 59.8 | Low | 6.6 Ų | 6.6 | 40.1 Ų | 40.1 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.8 | -38.8 | 176.2 | -131 | 128 | 0 | 0 | 0 | 112.2 | S3003 C3004 T3005 Y3010 K3011 I3112 I3116 L3149 I3152 C3153 N3156 L3157 | S3003-L3007 WeakPolarHBondContact O-CB 3.38Å; S3003-L3007 VanDerWaalsContact O-CD1 3.24Å; S3003-L3007 WeakPolarHBondContact O-CD1 3.5Å; S3003-L3007 WeakPolarHBondContact O-CG 3.18Å; S3003-L3007 PolarHBondContact O-N 3.09Å; S3003-L3007 VanDerWaalsContact O-N 3.11Å; C3004-L3007 PolarHBondContact O-N 3.38Å; T3005-L3007 VanDerWaalsContact C-N 3.31Å; T3005-L3007 PolarHBondContact O-N 3.05Å; L3007-Y3010 WeakPolarHBondContact O-CB 3.33Å; L3007-Y3010 PolarHBondContact O-N 2.97Å; L3007-K3011 WeakPolarHBondContact O-CB 3.33Å; L3007-K3011 PolarHBondContact O-N 3.1Å; L3007-I3112 HydrophobicContact CB-CG2 4.22Å; L3007-I3112 HydrophobicContact CD1-CG2 3.72Å; L3007-I3112 HydrophobicContact CD2-CB 4.1Å; L3007-I3112 HydrophobicContact CD2-CD1 4.24Å; L3007-I3112 HydrophobicContact CD2-CG1 3.91Å; L3007-I3112 HydrophobicContact CD2-CG2 3.39Å; L3007-I3112 VanDerWaalsContact CD2-CG2 3.49Å; L3007-I3112 HydrophobicContact CG-CD1 4.5Å; L3007-I3112 HydrophobicContact CG-CG2 4.1Å; L3007-I3116 HydrophobicContact CD1-CD1 3.88Å; L3007-I3116 HydrophobicContact CD1-CG1 4.28Å; L3007-I3116 HydrophobicContact CD2-CD1 4.29Å; L3007-I3116 HydrophobicContact CG-CD1 4.46Å; L3007-L3149 HydrophobicContact CD1-CD2 3.45Å; L3007-L3149 VanDerWaalsContact CD1-CD2 3.45Å; L3007-L3149 HydrophobicContact CD1-CG 4.31Å; L3007-I3152 HydrophobicContact CB-CG2 4.08Å; L3007-I3152 HydrophobicContact CD2-CB 4.04Å; L3007-I3152 HydrophobicContact CD2-CG2 3.73Å; L3007-I3152 HydrophobicContact CG-CB 4.45Å; L3007-I3152 HydrophobicContact CG-CG2 3.53Å; L3007-C3153 VanDerWaalsContact CD1-SG 3.52Å; L3007-C3153 HydrophobicContact CD2-CB 4.22Å; L3007-C3153 WeakPolarHBondContact CD2-SG 3.43Å; L3007-N3156 HydrophobicContact CD2-CB 4.06Å; L3007-L3157 HydrophobicContact CD1-CD1 4.2Å; L3007-L3157 HydrophobicContact CD1-CD2 3.73Å; L3007-L3157 HydrophobicContact CD1-CG 4.05Å |
| 3008 | L | 60.5 | Low | 60.7 | Low | 61.2 Ų | 61.2 | 40.4 Ų | 40.4 | 32% | 0.32 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.2 | -44.6 | 174.4 | -133.5 | 115.4 | 0 | 0 | 0 | 111.2 | T2943 I2944 I2947 C3004 T3005 Y3010 K3011 I3012 I3152 T3280 Y3284 I3287 | T2943-L3008 HydrophobicContact CG2-CD2 4.28Å; I2944-L3008 HydrophobicContact CG1-CD2 3.69Å; I2947-L3008 HydrophobicContact CD1-CD2 4.03Å; C3004-L3008 VanDerWaalsContact O-CB 3.28Å; C3004-L3008 WeakPolarHBondContact O-CB 3.36Å; C3004-L3008 WeakPolarHBondContact O-CD1 3.48Å; C3004-L3008 VanDerWaalsContact O-CG 3.31Å; C3004-L3008 WeakPolarHBondContact O-CG 3.4Å; C3004-L3008 PolarHBondContact O-N 2.9Å; T3005-L3008 WeakPolarHBondContact O-CB 3.37Å; T3005-L3008 PolarHBondContact O-N 3.06Å; L3008-Y3010 VanDerWaalsContact C-N 3.33Å; L3008-Y3010 PolarHBondContact O-N 2.82Å; L3008-K3011 WeakPolarHBondContact O-CB 3.49Å; L3008-K3011 PolarHBondContact O-N 2.96Å; L3008-K3011 VanDerWaalsContact O-N 3.13Å; L3008-I3012 HydrophobicContact CD1-CD1 4.14Å; L3008-I3012 HydrophobicContact CD2-CD1 3.95Å; L3008-I3012 HydrophobicContact CG-CD1 4.01Å; L3008-I3012 WeakPolarHBondContact O-CB 3.48Å; L3008-I3012 WeakPolarHBondContact O-CD1 3.3Å; L3008-I3012 VanDerWaalsContact O-CG1 3.3Å; L3008-I3012 WeakPolarHBondContact O-CG1 3.24Å; L3008-I3012 PolarHBondContact O-N 2.98Å; L3008-I3152 HydrophobicContact CD1-CD1 3.63Å; L3008-I3152 HydrophobicContact CD1-CG1 4.14Å; L3008-I3152 HydrophobicContact CD2-CG1 4.27Å; L3008-I3152 HydrophobicContact CD2-CG2 3.87Å; L3008-I3152 HydrophobicContact CG-CD1 3.95Å; L3008-I3152 HydrophobicContact CG-CG1 4.1Å; L3008-I3152 HydrophobicContact CG-CG2 3.65Å; L3008-T3280 HydrophobicContact CD2-CG2 4.12Å; L3008-Y3284 HydrophobicContact CD1-CD2 3.82Å; L3008-Y3284 HydrophobicContact CD1-CE2 3.95Å; L3008-I3287 HydrophobicContact CD1-CD1 4.01Å |
| 3009 | N | 67.7 | Low | 61.1 | Low | 10 Ų | 10 | 42 Ų | 42 | 5% | 0.053 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60 | -45.8 | 176.9 | -68.7 | -19.5 | 0 | 0 | 0 | 111.1 | T2943 T3005 D3006 K3011 I3012 I3013 A3034 L3038 | T2943-N3009 WeakPolarHBondContact CB-OD1 3.23Å; T2943-N3009 PolarHBondContact OG1-OD1 3.21Å; T3005-N3009 WeakPolarHBondContact O-CB 3.31Å; T3005-N3009 PolarHBondContact O-N 2.9Å; T3005-N3009 PolarHBondContact O-ND2 3.39Å; T3005-N3009 PolarHBondContact O-OD1 3.1Å; T3005-N3009 VanDerWaalsContact O-OD1 3.1Å; D3006-N3009 PolarHBondContact O-N 3.31Å; N3009-K3011 VanDerWaalsContact C-N 3.33Å; N3009-K3011 PolarHBondContact O-N 2.97Å; N3009-I3012 PolarHBondContact O-N 2.9Å; N3009-I3013 WeakPolarHBondContact O-CG1 3.36Å; N3009-I3013 PolarHBondContact O-N 2.9Å; N3009-I3013 VanDerWaalsContact O-N 3.11Å; N3009-A3034 HydrophobicContact CB-CB 4.06Å; N3009-A3034 WeakPolarHBondContact OD1-CA 3.05Å; N3009-L3038 HydrophobicContact CB-CD1 4.21Å; N3009-L3038 HydrophobicContact CB-CD2 4.29Å; N3009-L3038 HydrophobicContact CB-CG 3.96Å |
| 3010 | Y | 69.7 | Low | 61.6 | Low | 17.4 Ų | 17.4 | 44.1 Ų | 44.1 | 7% | 0.068 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.3 | -47.8 | 173.6 | -179.2 | -85 | 0 | 0 | 0 | 111.5 | D3006 L3007 L3008 I3012 I3013 Y3014 L3105 E3109 I3112 | D3006-Y3010 VanDerWaalsContact O-CB 3.32Å; D3006-Y3010 WeakPolarHBondContact O-CB 3.36Å; D3006-Y3010 PolarHBondContact O-N 3.22Å; L3007-Y3010 WeakPolarHBondContact O-CB 3.33Å; L3007-Y3010 PolarHBondContact O-N 2.97Å; L3008-Y3010 VanDerWaalsContact C-N 3.33Å; L3008-Y3010 PolarHBondContact O-N 2.82Å; Y3010-I3012 PolarHBondContact O-N 3.14Å; Y3010-I3013 PolarHBondContact O-N 3.01Å; Y3010-Y3014 HydrophobicContact CE1-CD2 4.48Å; Y3010-Y3014 VanDerWaalsContact O-CB 3.27Å; Y3010-Y3014 WeakPolarHBondContact O-CB 3.3Å; Y3010-Y3014 PolarHBondContact O-N 3.25Å; Y3010-L3105 HydrophobicContact CD1-CD2 4.34Å; Y3010-L3105 HydrophobicContact CD2-CB 4.39Å; Y3010-L3105 HydrophobicContact CD2-CD2 3.4Å; Y3010-L3105 VanDerWaalsContact CD2-CD2 3.45Å; Y3010-L3105 HydrophobicContact CD2-CG 4.43Å; Y3010-L3105 HydrophobicContact CE1-CD2 4.44Å; Y3010-L3105 HydrophobicContact CE2-CB 3.87Å; Y3010-L3105 HydrophobicContact CE2-CD2 3.54Å; Y3010-L3105 VanDerWaalsContact CE2-CD2 3.47Å; Y3010-L3105 HydrophobicContact CE2-CG 4.31Å; Y3010-L3105 WeakPolarHBondContact CE2-O 3.43Å; Y3010-L3105 HydrophobicContact CG-CD2 3.85Å; Y3010-L3105 WeakPolarHBondContact O-CD2 3.26Å; Y3010-E3109 HydrophobicContact CE2-CB 3.94Å; Y3010-E3109 HydrophobicContact CE2-CG 4.33Å; Y3010-E3109 PolarHBondContact OH-OE2 3.26Å; Y3010-E3109 VanDerWaalsContact OH-OE2 3.13Å; Y3010-I3112 VanDerWaalsContact CB-CD1 3.45Å; Y3010-I3112 HydrophobicContact CD1-CD1 4.09Å; Y3010-I3112 HydrophobicContact CD2-CD1 3.65Å; Y3010-I3112 HydrophobicContact CE2-CD1 3.96Å; Y3010-I3112 HydrophobicContact CG-CD1 3.66Å |
| 3011 | K | 64.7 | Low | 62 | Low | 59.8 Ų | 59.8 | 46.5 Ų | 46.5 | 26% | 0.26 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.2 | -39.6 | -180 | -173.8 | 173.9 | -178 | 174.1 | 0 | 112.9 | L3007 L3008 N3009 Y3014 N3015 I3152 N3156 | L3007-K3011 WeakPolarHBondContact O-CB 3.33Å; L3007-K3011 PolarHBondContact O-N 3.1Å; L3008-K3011 WeakPolarHBondContact O-CB 3.49Å; L3008-K3011 PolarHBondContact O-N 2.96Å; L3008-K3011 VanDerWaalsContact O-N 3.13Å; N3009-K3011 VanDerWaalsContact C-N 3.33Å; N3009-K3011 PolarHBondContact O-N 2.97Å; K3011-Y3014 PolarHBondContact O-N 3.16Å; K3011-N3015 WeakPolarHBondContact O-CB 3.33Å; K3011-N3015 VanDerWaalsContact O-CG 3.26Å; K3011-N3015 PolarHBondContact O-N 2.88Å; K3011-N3015 PolarHBondContact O-ND2 2.87Å; K3011-N3015 PolarHBondContact O-OD1 3.29Å; K3011-I3152 HydrophobicContact CD-CG2 4.26Å; K3011-N3156 WeakPolarHBondContact CE-ND2 3.45Å; K3011-N3156 PolarHBondContact NZ-ND2 3.13Å; K3011-N3156 PolarHBondContact NZ-OD1 2.75Å |
| 3012 | I | 65.1 | Low | 62.6 | Low | 24.4 Ų | 24.4 | 45.2 Ų | 45.2 | 13% | 0.125 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.2 | -51.8 | 177.1 | -72.1 | 161.1 | 0 | 0 | 0 | 110 | L2888 T2943 L3008 N3009 Y3010 Y3014 N3015 I3016 I3030 A3034 T3280 | L2888-I3012 HydrophobicContact CD1-CD1 4.36Å; T2943-I3012 HydrophobicContact CG2-CD1 3.47Å; T2943-I3012 VanDerWaalsContact CG2-CD1 3.47Å; L3008-I3012 HydrophobicContact CD1-CD1 4.14Å; L3008-I3012 HydrophobicContact CD2-CD1 3.95Å; L3008-I3012 HydrophobicContact CG-CD1 4.01Å; L3008-I3012 WeakPolarHBondContact O-CB 3.48Å; L3008-I3012 WeakPolarHBondContact O-CD1 3.3Å; L3008-I3012 VanDerWaalsContact O-CG1 3.3Å; L3008-I3012 WeakPolarHBondContact O-CG1 3.24Å; L3008-I3012 PolarHBondContact O-N 2.98Å; N3009-I3012 PolarHBondContact O-N 2.9Å; Y3010-I3012 PolarHBondContact O-N 3.14Å; I3012-Y3014 VanDerWaalsContact C-N 3.33Å; I3012-Y3014 PolarHBondContact O-N 3.12Å; I3012-N3015 PolarHBondContact O-N 3.18Å; I3012-I3016 HydrophobicContact CG2-CD1 3.73Å; I3012-I3016 WeakPolarHBondContact O-CB 3.27Å; I3012-I3016 WeakPolarHBondContact O-CD1 3.32Å; I3012-I3016 VanDerWaalsContact O-CG1 3.28Å; I3012-I3016 WeakPolarHBondContact O-CG1 3.32Å; I3012-I3016 PolarHBondContact O-N 3.2Å; I3012-I3016 VanDerWaalsContact O-N 3.07Å; I3012-I3030 HydrophobicContact CD1-CG2 3.7Å; I3012-I3030 HydrophobicContact CG1-CG2 4.25Å; I3012-I3030 HydrophobicContact CG2-CG2 4.07Å; I3012-A3034 HydrophobicContact CB-CB 3.89Å; I3012-A3034 HydrophobicContact CD1-CB 4.16Å; I3012-A3034 HydrophobicContact CG2-CB 3.66Å; I3012-T3280 HydrophobicContact CD1-CG2 4.47Å; I3012-T3280 HydrophobicContact CG1-CG2 3.86Å |
| 3013 | I | 72.1 | Confident | 63.1 | Low | 6 Ų | 6 | 42.5 Ų | 42.5 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.5 | -35.6 | 179.8 | -59.1 | -70.6 | 0 | 0 | 0 | 111.5 | N3009 Y3010 I3016 T3017 A3034 L3035 L3038 C3101 L3104 L3105 | N3009-I3013 WeakPolarHBondContact O-CG1 3.36Å; N3009-I3013 PolarHBondContact O-N 2.9Å; N3009-I3013 VanDerWaalsContact O-N 3.11Å; Y3010-I3013 PolarHBondContact O-N 3.01Å; I3013-I3016 PolarHBondContact O-N 3.32Å; I3013-T3017 HydrophobicContact CG2-CG2 4.31Å; I3013-T3017 WeakPolarHBondContact O-CB 3.4Å; I3013-T3017 VanDerWaalsContact O-CG2 3.28Å; I3013-T3017 WeakPolarHBondContact O-CG2 3.29Å; I3013-T3017 PolarHBondContact O-N 3.25Å; I3013-T3017 PolarHBondContact O-OG1 3.15Å; I3013-A3034 HydrophobicContact CD1-CB 4.03Å; I3013-A3034 HydrophobicContact CG1-CB 4.07Å; I3013-L3035 HydrophobicContact CD1-CB 4.08Å; I3013-L3035 HydrophobicContact CD1-CD1 4.11Å; I3013-L3038 HydrophobicContact CB-CD1 4.33Å; I3013-L3038 HydrophobicContact CD1-CD1 3.59Å; I3013-L3038 HydrophobicContact CG1-CD1 3.99Å; I3013-C3101 HydrophobicContact CG2-CB 4.01Å; I3013-L3104 HydrophobicContact CD1-CD2 4.1Å; I3013-L3105 HydrophobicContact CB-CD2 4.18Å; I3013-L3105 HydrophobicContact CG2-CD1 4.14Å; I3013-L3105 HydrophobicContact CG2-CD2 4.19Å; I3013-L3105 HydrophobicContact CG2-CG 4.18Å |
| 3014 | Y | 70.3 | Confident | 63.5 | Low | 88.4 Ų | 88.4 | 46.8 Ų | 46.8 | 35% | 0.347 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.3 | -49.5 | 173.5 | -177.3 | -88.2 | 0 | 0 | 0 | 111.8 | Y3010 K3011 I3012 I3016 T3017 S3018 L3105 N3156 | Y3010-Y3014 HydrophobicContact CE1-CD2 4.48Å; Y3010-Y3014 VanDerWaalsContact O-CB 3.27Å; Y3010-Y3014 WeakPolarHBondContact O-CB 3.3Å; Y3010-Y3014 PolarHBondContact O-N 3.25Å; K3011-Y3014 PolarHBondContact O-N 3.16Å; I3012-Y3014 VanDerWaalsContact C-N 3.33Å; I3012-Y3014 PolarHBondContact O-N 3.12Å; Y3014-I3016 VanDerWaalsContact C-N 3.33Å; Y3014-I3016 PolarHBondContact O-N 3.23Å; Y3014-T3017 WeakPolarHBondContact CA-OG1 3.24Å; Y3014-T3017 PolarHBondContact O-N 3.06Å; Y3014-T3017 VanDerWaalsContact O-N 3.17Å; Y3014-T3017 PolarHBondContact O-OG1 3.03Å; Y3014-T3017 VanDerWaalsContact O-OG1 3.11Å; Y3014-S3018 WeakPolarHBondContact CD1-OG 3.29Å; Y3014-S3018 WeakPolarHBondContact CE1-OG 3.4Å; Y3014-S3018 VanDerWaalsContact O-CB 3.22Å; Y3014-S3018 WeakPolarHBondContact O-CB 3.34Å; Y3014-S3018 PolarHBondContact O-N 3.17Å; Y3014-S3018 PolarHBondContact O-OG 3.1Å; Y3014-S3018 VanDerWaalsContact O-OG 3.13Å; Y3014-L3105 HydrophobicContact CD2-CD1 4.26Å; Y3014-N3156 HydrophobicContact CD1-CB 3.58Å; Y3014-N3156 WeakPolarHBondContact CD1-ND2 3.42Å; Y3014-N3156 WeakPolarHBondContact CD1-OD1 3.42Å; Y3014-N3156 HydrophobicContact CD2-CB 3.9Å; Y3014-N3156 HydrophobicContact CE1-CB 3.92Å; Y3014-N3156 WeakPolarHBondContact CE1-OD1 3.21Å; Y3014-N3156 HydrophobicContact CE2-CB 3.93Å; Y3014-N3156 WeakPolarHBondContact CE2-O 3.22Å; Y3014-N3156 HydrophobicContact CG-CB 3.72Å |
| 3015 | N | 62.7 | Low | 63.9 | Low | 44.2 Ų | 44.2 | 48.9 Ų | 48.9 | 24% | 0.236 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.8 | -48.3 | 178.4 | -75.5 | -7 | 0 | 0 | 0 | 111 | K3011 I3012 T3017 S3018 Y3019 N3156 F3273 | K3011-N3015 WeakPolarHBondContact O-CB 3.33Å; K3011-N3015 VanDerWaalsContact O-CG 3.26Å; K3011-N3015 PolarHBondContact O-N 2.88Å; K3011-N3015 PolarHBondContact O-ND2 2.87Å; K3011-N3015 PolarHBondContact O-OD1 3.29Å; I3012-N3015 PolarHBondContact O-N 3.18Å; N3015-T3017 VanDerWaalsContact C-N 3.29Å; N3015-T3017 PolarHBondContact O-N 3.25Å; N3015-S3018 WeakPolarHBondContact CA-OG 3.22Å; N3015-S3018 PolarHBondContact O-N 3.33Å; N3015-S3018 PolarHBondContact O-OG 3.28Å; N3015-S3018 VanDerWaalsContact O-OG 3.1Å; N3015-Y3019 HydrophobicContact CB-CD2 4.33Å; N3015-Y3019 HydrophobicContact CB-CE2 4.26Å; N3015-Y3019 VanDerWaalsContact O-CD2 3.29Å; N3015-Y3019 WeakPolarHBondContact O-CD2 3.35Å; N3015-Y3019 PolarHBondContact O-N 3.17Å; N3015-Y3019 VanDerWaalsContact O-N 3.16Å; N3015-N3156 PolarHBondContact OD1-ND2 2.99Å; N3015-F3273 WeakPolarHBondContact O-CE2 3.5Å |
| 3016 | I | 67.8 | Low | 63.8 | Low | 24.8 Ų | 24.8 | 50.7 Ų | 50.7 | 13% | 0.127 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.5 | -37.9 | -179.9 | -71.5 | 171.1 | 0 | 0 | 0 | 111.9 | I3012 I3013 Y3014 S3018 I3023 A3031 L3093 F3273 | I3012-I3016 HydrophobicContact CG2-CD1 3.73Å; I3012-I3016 WeakPolarHBondContact O-CB 3.27Å; I3012-I3016 WeakPolarHBondContact O-CD1 3.32Å; I3012-I3016 VanDerWaalsContact O-CG1 3.28Å; I3012-I3016 WeakPolarHBondContact O-CG1 3.32Å; I3012-I3016 PolarHBondContact O-N 3.2Å; I3012-I3016 VanDerWaalsContact O-N 3.07Å; I3013-I3016 PolarHBondContact O-N 3.32Å; Y3014-I3016 VanDerWaalsContact C-N 3.33Å; Y3014-I3016 PolarHBondContact O-N 3.23Å; I3016-S3018 VanDerWaalsContact C-N 3.32Å; I3016-S3018 PolarHBondContact O-N 3.18Å; I3016-I3023 HydrophobicContact CB-CD1 4.44Å; I3016-I3023 HydrophobicContact CD1-CD1 4.43Å; I3016-I3023 HydrophobicContact CG1-CD1 4.41Å; I3016-I3023 HydrophobicContact CG2-CD1 3.5Å; I3016-I3023 VanDerWaalsContact CG2-CD1 3.43Å; I3016-I3023 HydrophobicContact CG2-CG1 3.98Å; I3016-A3031 HydrophobicContact CD1-CB 3.45Å; I3016-A3031 VanDerWaalsContact CD1-CB 3.47Å; I3016-L3093 HydrophobicContact CG2-CD1 3.46Å; I3016-L3093 VanDerWaalsContact CG2-CD1 3.43Å; I3016-L3093 HydrophobicContact CG2-CG 4.41Å; I3016-L3093 VanDerWaalsContact O-CD1 3.25Å; I3016-L3093 WeakPolarHBondContact O-CD1 3.44Å; I3016-F3273 HydrophobicContact CG1-CZ 4.36Å |
| 3017 | T | 69.1 | Low | 63.7 | Low | 3.4 Ų | 3.4 | 52.3 Ų | 52.3 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -83.5 | -18.7 | 179.2 | 55.7 | 0 | 0 | 0 | 0 | 114.5 | I3013 Y3014 N3015 L3093 C3101 K3102 | I3013-T3017 HydrophobicContact CG2-CG2 4.31Å; I3013-T3017 WeakPolarHBondContact O-CB 3.4Å; I3013-T3017 VanDerWaalsContact O-CG2 3.28Å; I3013-T3017 WeakPolarHBondContact O-CG2 3.29Å; I3013-T3017 PolarHBondContact O-N 3.25Å; I3013-T3017 PolarHBondContact O-OG1 3.15Å; Y3014-T3017 WeakPolarHBondContact CA-OG1 3.24Å; Y3014-T3017 PolarHBondContact O-N 3.06Å; Y3014-T3017 VanDerWaalsContact O-N 3.17Å; Y3014-T3017 PolarHBondContact O-OG1 3.03Å; Y3014-T3017 VanDerWaalsContact O-OG1 3.11Å; N3015-T3017 VanDerWaalsContact C-N 3.29Å; N3015-T3017 PolarHBondContact O-N 3.25Å; T3017-L3093 HydrophobicContact CG2-CD1 4.16Å; T3017-C3101 HydrophobicContact CG2-CB 3.41Å; T3017-C3101 VanDerWaalsContact CG2-CB 3.46Å; T3017-K3102 VanDerWaalsContact O-CE 3.27Å; T3017-K3102 WeakPolarHBondContact O-CE 3.26Å; T3017-K3102 PolarHBondContact O-NZ 2.89Å; T3017-K3102 VanDerWaalsContact O-NZ 3.14Å |
| 3018 | S | 63.7 | Low | 63.9 | Low | 53.4 Ų | 53.4 | 52 Ų | 52 | 37% | 0.373 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -84.8 | -38.5 | 179.2 | 19.3 | 0 | 0 | 0 | 0 | 112.4 | Y3014 N3015 I3016 R3020 | Y3014-S3018 WeakPolarHBondContact CD1-OG 3.29Å; Y3014-S3018 WeakPolarHBondContact CE1-OG 3.4Å; Y3014-S3018 VanDerWaalsContact O-CB 3.22Å; Y3014-S3018 WeakPolarHBondContact O-CB 3.34Å; Y3014-S3018 PolarHBondContact O-N 3.17Å; Y3014-S3018 PolarHBondContact O-OG 3.1Å; Y3014-S3018 VanDerWaalsContact O-OG 3.13Å; N3015-S3018 WeakPolarHBondContact CA-OG 3.22Å; N3015-S3018 PolarHBondContact O-N 3.33Å; N3015-S3018 PolarHBondContact O-OG 3.28Å; N3015-S3018 VanDerWaalsContact O-OG 3.1Å; I3016-S3018 VanDerWaalsContact C-N 3.32Å; I3016-S3018 PolarHBondContact O-N 3.18Å; S3018-R3020 PolarHBondContact O-N 3.31Å |
| 3019 | Y | 54.4 | Low | 64 | Low | 137.6 Ų | 137.6 | 49.6 Ų | 49.6 | 54% | 0.54 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -89.6 | 26.2 | -179.7 | -66.3 | -74 | 0 | 0 | 0 | 112.6 | N3015 T3021 F3273 K3276 | N3015-Y3019 HydrophobicContact CB-CD2 4.33Å; N3015-Y3019 HydrophobicContact CB-CE2 4.26Å; N3015-Y3019 VanDerWaalsContact O-CD2 3.29Å; N3015-Y3019 WeakPolarHBondContact O-CD2 3.35Å; N3015-Y3019 PolarHBondContact O-N 3.17Å; N3015-Y3019 VanDerWaalsContact O-N 3.16Å; Y3019-T3021 VanDerWaalsContact CB-CG2 3.48Å; Y3019-T3021 VanDerWaalsContact CB-OG1 3.31Å; Y3019-T3021 WeakPolarHBondContact CB-OG1 3.36Å; Y3019-T3021 PolarHBondContact O-N 3.17Å; Y3019-T3021 VanDerWaalsContact O-N 3.11Å; Y3019-F3273 VanDerWaalsContact CB-CD2 3.42Å; Y3019-F3273 HydrophobicContact CD1-CB 4.17Å; Y3019-F3273 HydrophobicContact CD2-CB 4.37Å; Y3019-F3273 AromaticContact CD2-CD2 3.55Å; Y3019-F3273 HydrophobicContact CD2-CD2 3.55Å; Y3019-F3273 HydrophobicContact CD2-CE2 4.33Å; Y3019-F3273 HydrophobicContact CD2-CG 4.41Å; Y3019-F3273 HydrophobicContact CE2-CD2 4.49Å; Y3019-F3273 HydrophobicContact CG-CB 4Å; Y3019-F3273 AromaticContact CG-CD2 3.6Å; Y3019-F3273 HydrophobicContact CG-CD2 3.6Å; Y3019-F3273 HydrophobicContact CG-CE2 4.46Å; Y3019-F3273 HydrophobicContact CG-CG 4.14Å; Y3019-K3276 HydrophobicContact CE2-CD 4.24Å; Y3019-K3276 PolarHBondContact OH-NZ 3.41Å |
| 3020 | R | 56.5 | Low | 63.7 | Low | 160.4 Ų | 160.4 | 51.4 Ų | 51.4 | 61% | 0.605 | 24% | 0.243 | S | C | * | . | trans | 9.9 | 33.2 | 179.7 | -80.4 | -178.7 | 162.5 | 179.4 | -6.9 | 112.3 | S3018 M3092 D3095 I3098 | S3018-R3020 PolarHBondContact O-N 3.31Å; R3020-M3092 VanDerWaalsContact O-CE 3.3Å; R3020-M3092 WeakPolarHBondContact O-CE 3.41Å; R3020-D3095 IonicContact CZ-OD1 3.1Å; R3020-D3095 IonicContact CZ-OD2 2.68Å; R3020-D3095 IonicContact NE-OD1 3.12Å; R3020-D3095 PolarHBondContact NE-OD1 3.18Å; R3020-D3095 VanDerWaalsContact NH2-CG 3.29Å; R3020-D3095 IonicContact NH2-OD1 3Å; R3020-D3095 PolarHBondContact NH2-OD1 3.28Å; R3020-D3095 IonicContact NH2-OD2 3.26Å; R3020-D3095 PolarHBondContact NH2-OD2 3.37Å; R3020-I3098 HydrophobicContact CG-CD1 3.98Å | ||
| 3021 | T | 56.5 | Low | 63.7 | Low | 65.2 Ų | 65.2 | 50.7 Ų | 50.7 | 40% | 0.4 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -87.8 | 154.2 | -178 | 44.3 | 0 | 0 | 0 | 0 | 110.7 | Y3019 I3023 M3092 E3270 F3273 | Y3019-T3021 VanDerWaalsContact CB-CG2 3.48Å; Y3019-T3021 VanDerWaalsContact CB-OG1 3.31Å; Y3019-T3021 WeakPolarHBondContact CB-OG1 3.36Å; Y3019-T3021 PolarHBondContact O-N 3.17Å; Y3019-T3021 VanDerWaalsContact O-N 3.11Å; T3021-I3023 PolarHBondContact O-N 2.81Å; T3021-M3092 WeakPolarHBondContact O-CE 3.32Å; T3021-E3270 HydrophobicContact CG2-CB 4.36Å; T3021-E3270 HydrophobicContact CG2-CG 4.44Å; T3021-F3273 WeakPolarHBondContact OG1-CD1 3.06Å; T3021-F3273 WeakPolarHBondContact OG1-CE1 3.21Å; T3021-F3273 VanDerWaalsContact OG1-CG 3.25Å; T3021-F3273 WeakPolarHBondContact OG1-CG 3.46Å |
| 3022 | S | 62.3 | Low | 64.1 | Low | 34.6 Ų | 34.6 | 49 Ų | 49 | 24% | 0.242 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -73.1 | 133.6 | 173.9 | 60.3 | 0 | 0 | 0 | 0 | 111.2 | S3090 F3091 H3274 | S3022-S3090 VanDerWaalsContact CB-CB 3.47Å; S3022-S3090 VanDerWaalsContact CB-OG 3.24Å; S3022-S3090 WeakPolarHBondContact CB-OG 3.29Å; S3022-S3090 VanDerWaalsContact OG-CB 3.26Å; S3022-S3090 WeakPolarHBondContact OG-CB 3.41Å; S3022-S3090 PolarHBondContact OG-OG 3.29Å; S3022-S3090 VanDerWaalsContact OG-OG 3.08Å; S3022-F3091 CarbonylContact C-O 3.51Å; S3022-F3091 WeakPolarHBondContact CA-O 3.33Å; S3022-H3274 PolarHBondContact O-CE1 3.46Å; S3022-H3274 PolarHBondContact O-NE2 3.47Å |
| 3023 | I | 65.7 | Low | 64.1 | Low | 4.6 Ų | 4.6 | 49 Ų | 49 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -94.7 | 129.8 | -175.9 | -52.6 | 175.6 | 0 | 0 | 0 | 108.7 | I3016 T3021 E3027 A3031 L3078 Y3081 F3091 L3093 F3273 | I3016-I3023 HydrophobicContact CB-CD1 4.44Å; I3016-I3023 HydrophobicContact CD1-CD1 4.43Å; I3016-I3023 HydrophobicContact CG1-CD1 4.41Å; I3016-I3023 HydrophobicContact CG2-CD1 3.5Å; I3016-I3023 VanDerWaalsContact CG2-CD1 3.43Å; I3016-I3023 HydrophobicContact CG2-CG1 3.98Å; T3021-I3023 PolarHBondContact O-N 2.81Å; I3023-E3027 WeakPolarHBondContact CA-OE2 3.38Å; I3023-E3027 HydrophobicContact CB-CB 4.49Å; I3023-E3027 VanDerWaalsContact CG2-C 3.5Å; I3023-E3027 HydrophobicContact CG2-CB 3.48Å; I3023-E3027 VanDerWaalsContact CG2-CB 3.48Å; I3023-E3027 HydrophobicContact CG2-CG 4.37Å; I3023-A3031 HydrophobicContact CD1-CB 4.44Å; I3023-L3078 HydrophobicContact CD1-CD2 4.04Å; I3023-Y3081 WeakPolarHBondContact O-CE1 3.36Å; I3023-Y3081 PolarHBondContact O-OH 2.88Å; I3023-F3091 HydrophobicContact CB-CB 4.28Å; I3023-F3091 HydrophobicContact CB-CD1 4.37Å; I3023-F3091 HydrophobicContact CD1-CD1 4.04Å; I3023-F3091 HydrophobicContact CD1-CE1 4.48Å; I3023-F3091 HydrophobicContact CG1-CD1 4.47Å; I3023-F3091 PolarHBondContact N-O 3.1Å; I3023-F3091 WeakPolarHBondContact O-CA 3.41Å; I3023-F3091 VanDerWaalsContact O-CB 3.23Å; I3023-F3091 WeakPolarHBondContact O-CB 3.32Å; I3023-F3091 PolarHBondContact O-N 3.14Å; I3023-L3093 HydrophobicContact CD1-CD1 4.16Å; I3023-L3093 HydrophobicContact CD1-CG 4.3Å; I3023-F3273 HydrophobicContact CG1-CZ 4.43Å |
| 3024 | W | 65 | Low | 63.9 | Low | 109.2 Ų | 109.2 | 48.8 Ų | 48.8 | 41% | 0.414 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -83.3 | 166.3 | 176.2 | -66 | 64.5 | 0 | 0 | 0 | 111.9 | F2972 T3026 E3027 S3028 H3274 L3297 L3301 | F2972-W3024 HydrophobicContact CD1-CZ2 4.01Å; F2972-W3024 AromaticContact CD2-CH2 3.57Å; F2972-W3024 HydrophobicContact CD2-CH2 3.57Å; F2972-W3024 AromaticContact CD2-CZ2 3.45Å; F2972-W3024 HydrophobicContact CD2-CZ2 3.45Å; F2972-W3024 VanDerWaalsContact CD2-CZ2 3.45Å; F2972-W3024 AromaticContact CE1-CZ2 3.89Å; F2972-W3024 HydrophobicContact CE1-CZ2 3.89Å; F2972-W3024 AromaticContact CE2-CH2 3.73Å; F2972-W3024 HydrophobicContact CE2-CH2 3.73Å; F2972-W3024 AromaticContact CE2-CZ2 3.32Å; F2972-W3024 HydrophobicContact CE2-CZ2 3.32Å; F2972-W3024 HydrophobicContact CG-CH2 4.15Å; F2972-W3024 AromaticContact CG-CZ2 3.81Å; F2972-W3024 HydrophobicContact CG-CZ2 3.81Å; F2972-W3024 HydrophobicContact CZ-CH2 4.41Å; F2972-W3024 AromaticContact CZ-CZ2 3.56Å; F2972-W3024 HydrophobicContact CZ-CZ2 3.56Å; W3024-T3026 VanDerWaalsContact C-N 3.32Å; W3024-T3026 PolarHBondContact O-N 3.21Å; W3024-T3026 VanDerWaalsContact O-N 3.15Å; W3024-E3027 HydrophobicContact CB-CB 4.45Å; W3024-E3027 HydrophobicContact CB-CG 4.3Å; W3024-E3027 HydrophobicContact CE3-CG 4.47Å; W3024-E3027 PolarHBondContact N-OE2 3.18Å; W3024-E3027 CarbonylContact O-C 3.54Å; W3024-E3027 WeakPolarHBondContact O-CA 3.32Å; W3024-E3027 WeakPolarHBondContact O-CB 3.41Å; W3024-E3027 PolarHBondContact O-N 3.06Å; W3024-E3027 VanDerWaalsContact O-N 3.13Å; W3024-S3028 WeakPolarHBondContact O-CB 3.36Å; W3024-S3028 PolarHBondContact O-N 3.09Å; W3024-S3028 PolarHBondContact O-OG 2.9Å; W3024-H3274 AromaticContact CD1-CE1 3.66Å; W3024-H3274 AromaticContact CD2-CE1 3.81Å; W3024-H3274 AromaticContact CD2-ND1 3.68Å; W3024-H3274 AromaticContact CE2-CD2 3.88Å; W3024-H3274 AromaticContact CE2-CE1 3.44Å; W3024-H3274 VanDerWaalsContact CE2-CE1 3.44Å; W3024-H3274 AromaticContact CE2-CG 3.81Å; W3024-H3274 AromaticContact CE2-ND1 3.54Å; W3024-H3274 AromaticContact CE2-NE2 3.68Å; W3024-H3274 AromaticContact CG-CE1 3.96Å; W3024-H3274 HydrophobicContact CH2-CB 3.78Å; W3024-H3274 AromaticContact CH2-CG 3.82Å; W3024-H3274 HydrophobicContact CZ2-CB 4.04Å; W3024-H3274 AromaticContact CZ2-CD2 3.61Å; W3024-H3274 AromaticContact CZ2-CE1 3.96Å; W3024-H3274 AromaticContact CZ2-CG 3.57Å; W3024-H3274 AromaticContact CZ2-ND1 3.8Å; W3024-H3274 AromaticContact CZ2-NE2 3.88Å; W3024-H3274 HydrophobicContact CZ3-CB 4.12Å; W3024-H3274 AromaticContact NE1-CE1 3.3Å; W3024-H3274 PolarHBondContact NE1-CE1 2.72Å; W3024-H3274 VanDerWaalsContact NE1-CE1 3.3Å; W3024-H3274 AromaticContact NE1-ND1 3.89Å; W3024-H3274 AromaticContact NE1-NE2 3.47Å; W3024-H3274 PolarHBondContact NE1-NE2 3.02Å; W3024-L3297 HydrophobicContact CB-CD1 4.33Å; W3024-L3297 HydrophobicContact CD2-CB 4.39Å; W3024-L3297 HydrophobicContact CD2-CD1 4.32Å; W3024-L3297 HydrophobicContact CE3-CB 4.03Å; W3024-L3297 HydrophobicContact CG-CD1 4.21Å; W3024-L3297 HydrophobicContact CZ3-CB 4.1Å; W3024-L3301 HydrophobicContact CH2-CB 3.95Å; W3024-L3301 HydrophobicContact CH2-CD1 3.46Å; W3024-L3301 VanDerWaalsContact CH2-CD1 3.46Å; W3024-L3301 HydrophobicContact CH2-CG 4.32Å; W3024-L3301 HydrophobicContact CZ2-CD1 4.33Å; W3024-L3301 HydrophobicContact CZ3-CD1 4.14Å |
| 3025 | K | 62.4 | Low | 64.1 | Low | 62.2 Ų | 62.2 | 44.6 Ų | 44.6 | 27% | 0.27 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -55.9 | -40.1 | -175.2 | -168.8 | 175.9 | -179.3 | 176.4 | 0 | 113.7 | S3028 A3029 Y3081 Y3082 S3084 | K3025-S3028 WeakPolarHBondContact CA-OG 3.45Å; K3025-S3028 PolarHBondContact O-N 3.32Å; K3025-S3028 PolarHBondContact O-OG 3.14Å; K3025-A3029 PolarHBondContact O-N 3.17Å; K3025-Y3081 HydrophobicContact CB-CE1 4.26Å; K3025-Y3082 WeakPolarHBondContact CE-O 3.26Å; K3025-Y3082 HydrophobicContact CG-CD2 4.47Å; K3025-S3084 VanDerWaalsContact CE-O 3.22Å; K3025-S3084 WeakPolarHBondContact CE-O 3.31Å; K3025-S3084 PolarHBondContact NZ-O 3.06Å |
| 3026 | T | 57.9 | Low | 64.5 | Low | 65.6 Ų | 65.6 | 46.4 Ų | 46.4 | 40% | 0.402 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -68.1 | -43.8 | 175.1 | 39.3 | 0 | 0 | 0 | 0 | 112.2 | F2950 W3024 S3028 A3029 I3030 D3295 | F2950-T3026 HydrophobicContact CD1-CG2 4.23Å; W3024-T3026 VanDerWaalsContact C-N 3.32Å; W3024-T3026 PolarHBondContact O-N 3.21Å; W3024-T3026 VanDerWaalsContact O-N 3.15Å; T3026-S3028 VanDerWaalsContact C-N 3.27Å; T3026-S3028 PolarHBondContact O-N 3.11Å; T3026-A3029 WeakPolarHBondContact O-CB 3.24Å; T3026-A3029 PolarHBondContact O-N 2.97Å; T3026-A3029 VanDerWaalsContact O-N 3.14Å; T3026-I3030 WeakPolarHBondContact O-CG1 3.24Å; T3026-I3030 PolarHBondContact O-N 3.37Å; T3026-I3030 VanDerWaalsContact O-N 3.12Å; T3026-D3295 HydrophobicContact CG2-CB 4.45Å |
| 3027 | E | 61.6 | Low | 64.4 | Low | 59.2 Ų | 59.2 | 45.8 Ų | 45.8 | 28% | 0.277 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.2 | -32.7 | 176 | -59.5 | 176.1 | 145.5 | 0 | 0 | 111.8 | I3023 W3024 A3029 I3030 A3031 H3274 H3277 | I3023-E3027 WeakPolarHBondContact CA-OE2 3.38Å; I3023-E3027 HydrophobicContact CB-CB 4.49Å; I3023-E3027 VanDerWaalsContact CG2-C 3.5Å; I3023-E3027 HydrophobicContact CG2-CB 3.48Å; I3023-E3027 VanDerWaalsContact CG2-CB 3.48Å; I3023-E3027 HydrophobicContact CG2-CG 4.37Å; W3024-E3027 HydrophobicContact CB-CB 4.45Å; W3024-E3027 HydrophobicContact CB-CG 4.3Å; W3024-E3027 HydrophobicContact CE3-CG 4.47Å; W3024-E3027 PolarHBondContact N-OE2 3.18Å; W3024-E3027 CarbonylContact O-C 3.54Å; W3024-E3027 WeakPolarHBondContact O-CA 3.32Å; W3024-E3027 WeakPolarHBondContact O-CB 3.41Å; W3024-E3027 PolarHBondContact O-N 3.06Å; W3024-E3027 VanDerWaalsContact O-N 3.13Å; E3027-A3029 VanDerWaalsContact C-N 3.32Å; E3027-A3029 PolarHBondContact O-N 3.03Å; E3027-I3030 WeakPolarHBondContact O-CB 3.44Å; E3027-I3030 PolarHBondContact O-N 3.21Å; E3027-A3031 VanDerWaalsContact O-CB 3.3Å; E3027-A3031 WeakPolarHBondContact O-CB 3.31Å; E3027-A3031 PolarHBondContact O-N 3.13Å; E3027-H3274 VanDerWaalsContact CD-ND1 3.32Å; E3027-H3274 IonicContact OE1-CE1 3.89Å; E3027-H3274 IonicContact OE1-CG 3.58Å; E3027-H3274 IonicContact OE1-ND1 2.93Å; E3027-H3274 PolarHBondContact OE1-ND1 3.39Å; E3027-H3274 IonicContact OE2-CE1 2.62Å; E3027-H3274 PolarHBondContact OE2-CE1 3.12Å; E3027-H3274 IonicContact OE2-ND1 3.81Å; E3027-H3274 PolarHBondContact OE2-ND1 3.29Å; E3027-H3274 VanDerWaalsContact OE2-ND1 3.14Å; E3027-H3277 HydrophobicContact CG-CB 4.29Å; E3027-H3277 WeakPolarHBondContact CG-ND1 3.35Å; E3027-H3277 WeakPolarHBondContact OE1-CB 3.41Å; E3027-H3277 IonicContact OE1-CG 3.63Å |
| 3028 | S | 67.2 | Low | 64.4 | Low | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.1 | -31.6 | 177.6 | 76.4 | 0 | 0 | 0 | 0 | 112.8 | W3024 K3025 T3026 A3031 Y3032 Y3081 Y3082 | W3024-S3028 WeakPolarHBondContact O-CB 3.36Å; W3024-S3028 PolarHBondContact O-N 3.09Å; W3024-S3028 PolarHBondContact O-OG 2.9Å; K3025-S3028 WeakPolarHBondContact CA-OG 3.45Å; K3025-S3028 PolarHBondContact O-N 3.32Å; K3025-S3028 PolarHBondContact O-OG 3.14Å; T3026-S3028 VanDerWaalsContact C-N 3.27Å; T3026-S3028 PolarHBondContact O-N 3.11Å; S3028-A3031 PolarHBondContact O-N 2.85Å; S3028-Y3032 VanDerWaalsContact O-CB 3.24Å; S3028-Y3032 WeakPolarHBondContact O-CB 3.4Å; S3028-Y3032 PolarHBondContact O-N 3.27Å; S3028-Y3081 VanDerWaalsContact OG-CD1 3.31Å; S3028-Y3081 WeakPolarHBondContact OG-CD1 3.31Å; S3028-Y3082 WeakPolarHBondContact OG-CA 3.27Å; S3028-Y3082 WeakPolarHBondContact OG-CB 3.38Å |
| 3029 | A | 62.2 | Low | 64.6 | Low | 11.6 Ų | 11.6 | 44.3 Ų | 44.3 | 10% | 0.096 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.3 | -43 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V2891 M2946 F2950 K3025 T3026 E3027 Y3032 S3033 Y3082 | V2891-A3029 HydrophobicContact CG1-CB 3.85Å; V2891-A3029 HydrophobicContact CG2-CB 4.47Å; M2946-A3029 HydrophobicContact CE-CB 3.88Å; M2946-A3029 VanDerWaalsContact CE-O 3.26Å; M2946-A3029 WeakPolarHBondContact CE-O 3.46Å; F2950-A3029 HydrophobicContact CE1-CB 4.33Å; F2950-A3029 HydrophobicContact CE2-CB 3.51Å; F2950-A3029 HydrophobicContact CZ-CB 3.32Å; K3025-A3029 PolarHBondContact O-N 3.17Å; T3026-A3029 WeakPolarHBondContact O-CB 3.24Å; T3026-A3029 PolarHBondContact O-N 2.97Å; T3026-A3029 VanDerWaalsContact O-N 3.14Å; E3027-A3029 VanDerWaalsContact C-N 3.32Å; E3027-A3029 PolarHBondContact O-N 3.03Å; A3029-Y3032 PolarHBondContact O-N 2.99Å; A3029-S3033 WeakPolarHBondContact O-CB 3.42Å; A3029-S3033 PolarHBondContact O-N 3.28Å; A3029-S3033 PolarHBondContact O-OG 3.07Å; A3029-Y3082 HydrophobicContact CB-CD2 3.5Å; A3029-Y3082 VanDerWaalsContact CB-CD2 3.44Å; A3029-Y3082 HydrophobicContact CB-CE2 3.53Å; A3029-Y3082 VanDerWaalsContact CB-CE2 3.46Å; A3029-Y3082 HydrophobicContact CB-CG 4.31Å |
| 3030 | I | 60.7 | Low | 64.8 | Low | 47.8 Ų | 47.8 | 41.3 Ų | 41.3 | 25% | 0.245 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.1 | -45.5 | 176.2 | -63.4 | 169.3 | 0 | 0 | 0 | 109.6 | L2888 V2891 T2943 I2947 F2950 I3012 T3026 E3027 Y3032 S3033 A3034 R3281 | L2888-I3030 HydrophobicContact CD2-CG2 4.17Å; V2891-I3030 HydrophobicContact CG1-CG1 4.5Å; T2943-I3030 HydrophobicContact CG2-CG2 4.05Å; I2947-I3030 HydrophobicContact CD1-CG2 4.46Å; I2947-I3030 HydrophobicContact CG1-CD1 3.95Å; I2947-I3030 HydrophobicContact CG1-CG1 4.07Å; I2947-I3030 HydrophobicContact CG1-CG2 4.36Å; F2950-I3030 HydrophobicContact CD2-CG1 4.2Å; I3012-I3030 HydrophobicContact CD1-CG2 3.7Å; I3012-I3030 HydrophobicContact CG1-CG2 4.25Å; I3012-I3030 HydrophobicContact CG2-CG2 4.07Å; T3026-I3030 WeakPolarHBondContact O-CG1 3.24Å; T3026-I3030 PolarHBondContact O-N 3.37Å; T3026-I3030 VanDerWaalsContact O-N 3.12Å; E3027-I3030 WeakPolarHBondContact O-CB 3.44Å; E3027-I3030 PolarHBondContact O-N 3.21Å; I3030-Y3032 PolarHBondContact O-N 3.22Å; I3030-S3033 WeakPolarHBondContact CA-OG 3.39Å; I3030-S3033 PolarHBondContact O-N 3.06Å; I3030-S3033 PolarHBondContact O-OG 3.23Å; I3030-A3034 WeakPolarHBondContact O-CB 3.41Å; I3030-A3034 PolarHBondContact O-N 3.12Å; I3030-R3281 HydrophobicContact CD1-CB 3.89Å; I3030-R3281 HydrophobicContact CD1-CG 3.74Å |
| 3031 | A | 69.9 | Low | 64.6 | Low | 2.2 Ų | 2.2 | 35.8 Ų | 35.8 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.2 | -45.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I3016 I3023 E3027 S3028 S3033 A3034 L3035 L3078 | I3016-A3031 HydrophobicContact CD1-CB 3.45Å; I3016-A3031 VanDerWaalsContact CD1-CB 3.47Å; I3023-A3031 HydrophobicContact CD1-CB 4.44Å; E3027-A3031 VanDerWaalsContact O-CB 3.3Å; E3027-A3031 WeakPolarHBondContact O-CB 3.31Å; E3027-A3031 PolarHBondContact O-N 3.13Å; S3028-A3031 PolarHBondContact O-N 2.85Å; A3031-S3033 VanDerWaalsContact C-N 3.32Å; A3031-S3033 PolarHBondContact O-N 3.23Å; A3031-A3034 PolarHBondContact O-N 3.16Å; A3031-L3035 VanDerWaalsContact O-CB 3.27Å; A3031-L3035 WeakPolarHBondContact O-CB 3.31Å; A3031-L3035 PolarHBondContact O-N 3.03Å; A3031-L3078 HydrophobicContact CB-CD1 4.15Å; A3031-L3078 HydrophobicContact CB-CD2 4.18Å |
| 3032 | Y | 72.8 | Confident | 64.1 | Low | 24 Ų | 24 | 35.5 Ų | 35.5 | 9% | 0.094 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.6 | -48.2 | 175.2 | 169.2 | -105.1 | 0 | 0 | 0 | 111.1 | Y2887 S3028 A3029 I3030 A3034 L3035 R3036 E3075 L3078 L3079 | Y2887-Y3032 HydrophobicContact CE1-CE1 4.22Å; S3028-Y3032 VanDerWaalsContact O-CB 3.24Å; S3028-Y3032 WeakPolarHBondContact O-CB 3.4Å; S3028-Y3032 PolarHBondContact O-N 3.27Å; A3029-Y3032 PolarHBondContact O-N 2.99Å; I3030-Y3032 PolarHBondContact O-N 3.22Å; Y3032-A3034 VanDerWaalsContact C-N 3.35Å; Y3032-A3034 PolarHBondContact O-N 3.01Å; Y3032-L3035 PolarHBondContact O-N 3.24Å; Y3032-R3036 VanDerWaalsContact O-CB 3.25Å; Y3032-R3036 WeakPolarHBondContact O-CB 3.19Å; Y3032-R3036 PolarHBondContact O-N 3.21Å; Y3032-R3036 WeakPolarHBondContact OH-CD 3.44Å; Y3032-R3036 PolarHBondContact OH-NH1 3.39Å; Y3032-E3075 HydrophobicContact CD2-CG 3.92Å; Y3032-E3075 HydrophobicContact CE2-CG 3.56Å; Y3032-E3075 VanDerWaalsContact CE2-CG 3.45Å; Y3032-E3075 PolarHBondContact OH-OE1 3.1Å; Y3032-L3078 HydrophobicContact CD2-CB 4.41Å; Y3032-L3079 HydrophobicContact CD1-CD1 4.32Å; Y3032-L3079 HydrophobicContact CD2-CB 4.15Å; Y3032-L3079 HydrophobicContact CD2-CD1 4.31Å; Y3032-L3079 HydrophobicContact CE1-CD1 3.91Å; Y3032-L3079 HydrophobicContact CE2-CB 3.99Å; Y3032-L3079 HydrophobicContact CE2-CD1 3.89Å; Y3032-L3079 HydrophobicContact CE2-CD2 4.32Å; Y3032-L3079 HydrophobicContact CE2-CG 4.32Å; Y3032-L3079 HydrophobicContact CG-CD1 4.46Å |
| 3033 | S | 64.7 | Low | 63.1 | Low | 25.6 Ų | 25.6 | 36.5 Ų | 36.5 | 18% | 0.179 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63 | -41.1 | 179 | 54.2 | 0 | 0 | 0 | 0 | 112.6 | Y2887 T2943 A3029 I3030 A3031 R3036 G3037 | Y2887-S3033 WeakPolarHBondContact CD1-OG 3.42Å; T2943-S3033 WeakPolarHBondContact CG2-OG 3.09Å; T2943-S3033 VanDerWaalsContact OG1-CB 3.31Å; T2943-S3033 WeakPolarHBondContact OG1-CB 3.33Å; T2943-S3033 PolarHBondContact OG1-OG 2.73Å; A3029-S3033 WeakPolarHBondContact O-CB 3.42Å; A3029-S3033 PolarHBondContact O-N 3.28Å; A3029-S3033 PolarHBondContact O-OG 3.07Å; I3030-S3033 WeakPolarHBondContact CA-OG 3.39Å; I3030-S3033 PolarHBondContact O-N 3.06Å; I3030-S3033 PolarHBondContact O-OG 3.23Å; A3031-S3033 VanDerWaalsContact C-N 3.32Å; A3031-S3033 PolarHBondContact O-N 3.23Å; S3033-R3036 PolarHBondContact O-N 3.48Å; S3033-G3037 PolarHBondContact O-N 3.17Å |
| 3034 | A | 68.4 | Low | 61.6 | Low | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.4 | -42 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T2943 N3009 I3012 I3013 I3030 A3031 Y3032 G3037 L3038 | T2943-A3034 PolarHBondContact OG1-N 3.15Å; N3009-A3034 HydrophobicContact CB-CB 4.06Å; N3009-A3034 WeakPolarHBondContact OD1-CA 3.05Å; I3012-A3034 HydrophobicContact CB-CB 3.89Å; I3012-A3034 HydrophobicContact CD1-CB 4.16Å; I3012-A3034 HydrophobicContact CG2-CB 3.66Å; I3013-A3034 HydrophobicContact CD1-CB 4.03Å; I3013-A3034 HydrophobicContact CG1-CB 4.07Å; I3030-A3034 WeakPolarHBondContact O-CB 3.41Å; I3030-A3034 PolarHBondContact O-N 3.12Å; A3031-A3034 PolarHBondContact O-N 3.16Å; Y3032-A3034 VanDerWaalsContact C-N 3.35Å; Y3032-A3034 PolarHBondContact O-N 3.01Å; A3034-G3037 PolarHBondContact O-N 3.16Å; A3034-L3038 WeakPolarHBondContact O-CG 3.42Å; A3034-L3038 PolarHBondContact O-N 3.19Å; A3034-L3038 VanDerWaalsContact O-N 3.13Å |
| 3035 | L | 75.8 | Confident | 60.1 | Low | 0.8 Ų | 0.8 | 43 Ų | 43 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.9 | -47.8 | 176.7 | -171 | 89.2 | 0 | 0 | 0 | 110.6 | I3013 A3031 Y3032 G3037 L3038 L3039 L3071 L3074 E3075 L3078 L3104 | I3013-L3035 HydrophobicContact CD1-CB 4.08Å; I3013-L3035 HydrophobicContact CD1-CD1 4.11Å; A3031-L3035 VanDerWaalsContact O-CB 3.27Å; A3031-L3035 WeakPolarHBondContact O-CB 3.31Å; A3031-L3035 PolarHBondContact O-N 3.03Å; Y3032-L3035 PolarHBondContact O-N 3.24Å; L3035-G3037 VanDerWaalsContact C-N 3.32Å; L3035-G3037 PolarHBondContact O-N 3.24Å; L3035-L3038 PolarHBondContact O-N 2.99Å; L3035-L3038 VanDerWaalsContact O-N 3.13Å; L3035-L3039 HydrophobicContact CD1-CD1 4.44Å; L3035-L3039 HydrophobicContact CD2-CD1 3.99Å; L3035-L3039 HydrophobicContact CG-CD1 4Å; L3035-L3039 HydrophobicContact CG-CG 4.46Å; L3035-L3039 WeakPolarHBondContact O-CB 3.49Å; L3035-L3039 VanDerWaalsContact O-CG 3.3Å; L3035-L3039 WeakPolarHBondContact O-CG 3.4Å; L3035-L3039 PolarHBondContact O-N 3.22Å; L3035-L3071 HydrophobicContact CD1-CD2 4.18Å; L3035-L3074 HydrophobicContact CD1-CD2 3.99Å; L3035-L3074 HydrophobicContact CD1-CG 4.21Å; L3035-L3074 HydrophobicContact CD2-CB 4.28Å; L3035-L3074 HydrophobicContact CD2-CD2 4.1Å; L3035-L3074 HydrophobicContact CD2-CG 4.02Å; L3035-E3075 HydrophobicContact CD2-CB 3.8Å; L3035-E3075 HydrophobicContact CD2-CG 4.25Å; L3035-L3078 HydrophobicContact CD2-CD1 4.07Å; L3035-L3104 HydrophobicContact CD1-CD2 4.05Å |
| 3036 | R | 71.2 | Confident | 58.5 | Low | 82 Ų | 82 | 45.6 Ų | 45.6 | 31% | 0.309 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 177.9 | -168.2 | 176.8 | -175 | -159 | 0.8 | 111.9 | Y3032 S3033 L3038 L3039 S3040 E3075 | Y3032-R3036 VanDerWaalsContact O-CB 3.25Å; Y3032-R3036 WeakPolarHBondContact O-CB 3.19Å; Y3032-R3036 PolarHBondContact O-N 3.21Å; Y3032-R3036 WeakPolarHBondContact OH-CD 3.44Å; Y3032-R3036 PolarHBondContact OH-NH1 3.39Å; S3033-R3036 PolarHBondContact O-N 3.48Å; R3036-L3038 VanDerWaalsContact C-N 3.33Å; R3036-L3038 PolarHBondContact O-N 3.43Å; R3036-L3039 PolarHBondContact O-N 3.21Å; R3036-L3039 VanDerWaalsContact O-N 3.13Å; R3036-S3040 VanDerWaalsContact O-CB 3.27Å; R3036-S3040 WeakPolarHBondContact O-CB 3.39Å; R3036-S3040 PolarHBondContact O-N 3.18Å; R3036-S3040 PolarHBondContact O-OG 3.19Å; R3036-S3040 VanDerWaalsContact O-OG 3.08Å; R3036-E3075 WeakPolarHBondContact CD-OE1 3.5Å; R3036-E3075 WeakPolarHBondContact CG-OE1 3.24Å; R3036-E3075 IonicContact NE-OE1 2.75Å |
| 3037 | G | 64.1 | Low | 57.4 | Low | 12.6 Ų | 12.6 | 47.4 Ų | 47.4 | 13% | 0.13 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S3033 A3034 L3035 L3039 S3040 S3041 | S3033-G3037 PolarHBondContact O-N 3.17Å; A3034-G3037 PolarHBondContact O-N 3.16Å; L3035-G3037 VanDerWaalsContact C-N 3.32Å; L3035-G3037 PolarHBondContact O-N 3.24Å; G3037-L3039 VanDerWaalsContact C-N 3.32Å; G3037-L3039 PolarHBondContact O-N 2.87Å; G3037-S3040 WeakPolarHBondContact CA-OG 3.39Å; G3037-S3040 PolarHBondContact O-N 3.28Å; G3037-S3040 PolarHBondContact O-OG 2.99Å; G3037-S3040 VanDerWaalsContact O-OG 3.09Å; G3037-S3041 WeakPolarHBondContact O-CB 3.36Å; G3037-S3041 PolarHBondContact O-N 3.1Å; G3037-S3041 PolarHBondContact O-OG 2.95Å; G3037-S3041 VanDerWaalsContact O-OG 3.13Å |
| 3038 | L | 68.9 | Low | 55.9 | Low | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -75 | -28.2 | 176.8 | -69.9 | 166.9 | 0 | 0 | 0 | 113.5 | N3009 I3013 A3034 L3035 R3036 S3041 T3042 L3104 Y3108 | N3009-L3038 HydrophobicContact CB-CD1 4.21Å; N3009-L3038 HydrophobicContact CB-CD2 4.29Å; N3009-L3038 HydrophobicContact CB-CG 3.96Å; I3013-L3038 HydrophobicContact CB-CD1 4.33Å; I3013-L3038 HydrophobicContact CD1-CD1 3.59Å; I3013-L3038 HydrophobicContact CG1-CD1 3.99Å; A3034-L3038 WeakPolarHBondContact O-CG 3.42Å; A3034-L3038 PolarHBondContact O-N 3.19Å; A3034-L3038 VanDerWaalsContact O-N 3.13Å; L3035-L3038 PolarHBondContact O-N 2.99Å; L3035-L3038 VanDerWaalsContact O-N 3.13Å; R3036-L3038 VanDerWaalsContact C-N 3.33Å; R3036-L3038 PolarHBondContact O-N 3.43Å; L3038-S3041 WeakPolarHBondContact CA-OG 3.45Å; L3038-S3041 PolarHBondContact O-OG 3.23Å; L3038-T3042 WeakPolarHBondContact O-CB 3.49Å; L3038-T3042 VanDerWaalsContact O-CG2 3.22Å; L3038-T3042 WeakPolarHBondContact O-CG2 3.26Å; L3038-T3042 PolarHBondContact O-N 3.46Å; L3038-T3042 PolarHBondContact O-OG1 2.99Å; L3038-T3042 VanDerWaalsContact O-OG1 3.09Å; L3038-L3104 HydrophobicContact CB-CD2 4.1Å; L3038-L3104 HydrophobicContact CB-CG 4.43Å; L3038-L3104 HydrophobicContact CD1-CD2 4.27Å; L3038-Y3108 HydrophobicContact CD2-CD1 3.53Å; L3038-Y3108 VanDerWaalsContact CD2-CD1 3.45Å; L3038-Y3108 HydrophobicContact CD2-CD2 4.1Å; L3038-Y3108 HydrophobicContact CD2-CE1 3.67Å; L3038-Y3108 HydrophobicContact CD2-CE2 4.2Å; L3038-Y3108 HydrophobicContact CD2-CG 3.82Å |
| 3039 | L | 68.2 | Low | 54.2 | Low | 24.4 Ų | 24.4 | 53.7 Ų | 53.7 | 13% | 0.128 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -75 | -44 | 175.9 | -73.7 | 170.5 | 0 | 0 | 0 | 111.8 | L3035 R3036 G3037 S3041 T3042 T3043 L3071 L3104 | L3035-L3039 HydrophobicContact CD1-CD1 4.44Å; L3035-L3039 HydrophobicContact CD2-CD1 3.99Å; L3035-L3039 HydrophobicContact CG-CD1 4Å; L3035-L3039 HydrophobicContact CG-CG 4.46Å; L3035-L3039 WeakPolarHBondContact O-CB 3.49Å; L3035-L3039 VanDerWaalsContact O-CG 3.3Å; L3035-L3039 WeakPolarHBondContact O-CG 3.4Å; L3035-L3039 PolarHBondContact O-N 3.22Å; R3036-L3039 PolarHBondContact O-N 3.21Å; R3036-L3039 VanDerWaalsContact O-N 3.13Å; G3037-L3039 VanDerWaalsContact C-N 3.32Å; G3037-L3039 PolarHBondContact O-N 2.87Å; L3039-S3041 VanDerWaalsContact C-N 3.27Å; L3039-S3041 PolarHBondContact O-N 3.22Å; L3039-S3041 VanDerWaalsContact O-N 3.12Å; L3039-T3042 WeakPolarHBondContact CA-OG1 3.29Å; L3039-T3042 PolarHBondContact O-N 3.26Å; L3039-T3042 VanDerWaalsContact O-N 3.1Å; L3039-T3042 PolarHBondContact O-OG1 3.12Å; L3039-T3043 PolarHBondContact O-N 3.3Å; L3039-T3043 VanDerWaalsContact O-N 3.11Å; L3039-T3043 PolarHBondContact O-OG1 3.32Å; L3039-L3071 HydrophobicContact CD2-CB 4.33Å; L3039-L3071 HydrophobicContact CD2-CD1 4.35Å; L3039-L3104 HydrophobicContact CD2-CD1 4.15Å; L3039-L3104 HydrophobicContact CG-CD1 4.41Å |
| 3040 | S | 59.9 | Low | 52.7 | Low | 76 Ų | 76 | 56.3 Ų | 56.3 | 53% | 0.531 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62 | -26.6 | 179.5 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | N2884 R3036 G3037 | N2884-S3040 WeakPolarHBondContact ND2-CB 3.38Å; N2884-S3040 PolarHBondContact ND2-OG 3.49Å; R3036-S3040 VanDerWaalsContact O-CB 3.27Å; R3036-S3040 WeakPolarHBondContact O-CB 3.39Å; R3036-S3040 PolarHBondContact O-N 3.18Å; R3036-S3040 PolarHBondContact O-OG 3.19Å; R3036-S3040 VanDerWaalsContact O-OG 3.08Å; G3037-S3040 WeakPolarHBondContact CA-OG 3.39Å; G3037-S3040 PolarHBondContact O-N 3.28Å; G3037-S3040 PolarHBondContact O-OG 2.99Å; G3037-S3040 VanDerWaalsContact O-OG 3.09Å |
| 3041 | S | 51.6 | Low | 51.4 | Low | 43.4 Ų | 43.4 | 61.9 Ų | 61.9 | 30% | 0.303 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -5.1 | 177.6 | 55.8 | 0 | 0 | 0 | 0 | 114.4 | G3037 L3038 L3039 Y3108 K3111 | G3037-S3041 WeakPolarHBondContact O-CB 3.36Å; G3037-S3041 PolarHBondContact O-N 3.1Å; G3037-S3041 PolarHBondContact O-OG 2.95Å; G3037-S3041 VanDerWaalsContact O-OG 3.13Å; L3038-S3041 WeakPolarHBondContact CA-OG 3.45Å; L3038-S3041 PolarHBondContact O-OG 3.23Å; L3039-S3041 VanDerWaalsContact C-N 3.27Å; L3039-S3041 PolarHBondContact O-N 3.22Å; L3039-S3041 VanDerWaalsContact O-N 3.12Å; S3041-Y3108 VanDerWaalsContact CB-OH 3.23Å; S3041-Y3108 WeakPolarHBondContact CB-OH 3.4Å; S3041-Y3108 VanDerWaalsContact OG-CE2 3.24Å; S3041-Y3108 WeakPolarHBondContact OG-CE2 3.37Å; S3041-Y3108 PolarHBondContact OG-OH 2.93Å; S3041-K3111 PolarHBondContact O-NZ 3.02Å |
| 3042 | T | 45.5 | Very low | 49.6 | Very low | 59 Ų | 59 | 68.7 Ų | 68.7 | 36% | 0.362 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | -20.7 | 176.3 | 49.8 | 0 | 0 | 0 | 0 | 114.5 | L3038 L3039 L3104 Y3108 | L3038-T3042 WeakPolarHBondContact O-CB 3.49Å; L3038-T3042 VanDerWaalsContact O-CG2 3.22Å; L3038-T3042 WeakPolarHBondContact O-CG2 3.26Å; L3038-T3042 PolarHBondContact O-N 3.46Å; L3038-T3042 PolarHBondContact O-OG1 2.99Å; L3038-T3042 VanDerWaalsContact O-OG1 3.09Å; L3039-T3042 WeakPolarHBondContact CA-OG1 3.29Å; L3039-T3042 PolarHBondContact O-N 3.26Å; L3039-T3042 VanDerWaalsContact O-N 3.1Å; L3039-T3042 PolarHBondContact O-OG1 3.12Å; T3042-L3104 HydrophobicContact CG2-CD1 4.3Å; T3042-Y3108 HydrophobicContact CG2-CD2 3.66Å; T3042-Y3108 VanDerWaalsContact CG2-CD2 3.44Å; T3042-Y3108 HydrophobicContact CG2-CE2 3.64Å; T3042-Y3108 VanDerWaalsContact CG2-CE2 3.48Å |
| 3043 | T | 40.6 | Very low | 47.6 | Very low | 55.6 Ų | 55.6 | 72.5 Ų | 72.5 | 34% | 0.341 | 42% | 0.423 | S | S | . | . | trans | -119.6 | 129 | -171.7 | 53.2 | 0 | 0 | 0 | 0 | 112.2 | L3039 F3045 | L3039-T3043 PolarHBondContact O-N 3.3Å; L3039-T3043 VanDerWaalsContact O-N 3.11Å; L3039-T3043 PolarHBondContact O-OG1 3.32Å; T3043-F3045 HydrophobicContact CG2-CD2 3.97Å; T3043-F3045 HydrophobicContact CG2-CE2 4.02Å; T3043-F3045 PolarHBondContact O-N 3.21Å; T3043-F3045 WeakPolarHBondContact OG1-CD2 3.4Å | ||
| 3044 | S | 35.1 | Very low | 46.3 | Very low | 124.4 Ų | 124.4 | 77.4 Ų | 77.4 | 87% | 0.87 | 44% | 0.439 | S | S | * | . | trans | -69.9 | 36 | 168.1 | 54.8 | 0 | 0 | 0 | 0 | 112.8 | S3046 | S3044-S3046 VanDerWaalsContact C-N 3.29Å; S3044-S3046 PolarHBondContact O-N 2.88Å; S3044-S3046 VanDerWaalsContact O-N 3.17Å | ||
| 3045 | F | 33.6 | Very low | 44.8 | Very low | 126.2 Ų | 126.2 | 81.8 Ų | 81.8 | 55% | 0.554 | 47% | 0.469 | S | S | * | . | trans | -100.8 | 100.5 | 176 | -82.2 | -77.2 | 0 | 0 | 0 | 109.6 | T3043 I3047 F3057 | T3043-F3045 HydrophobicContact CG2-CD2 3.97Å; T3043-F3045 HydrophobicContact CG2-CE2 4.02Å; T3043-F3045 PolarHBondContact O-N 3.21Å; T3043-F3045 WeakPolarHBondContact OG1-CD2 3.4Å; F3045-I3047 VanDerWaalsContact C-N 3.33Å; F3045-I3047 HydrophobicContact CB-CG1 4.32Å; F3045-I3047 PolarHBondContact O-N 3.31Å; F3045-F3057 AromaticContact CD1-CE1 3.88Å; F3045-F3057 HydrophobicContact CD1-CE1 4.18Å; F3045-F3057 AromaticContact CD1-CZ 3.94Å; F3045-F3057 HydrophobicContact CD1-CZ 3.94Å; F3045-F3057 HydrophobicContact CE1-CD1 4.02Å; F3045-F3057 AromaticContact CE1-CE1 3.34Å; F3045-F3057 HydrophobicContact CE1-CE1 3.82Å; F3045-F3057 AromaticContact CE1-CZ 3.85Å; F3045-F3057 HydrophobicContact CE1-CZ 4.03Å; F3045-F3057 HydrophobicContact CZ-CE1 4.43Å | ||
| 3046 | S | 28.6 | Very low | 42.9 | Very low | 117.6 Ų | 117.6 | 84.1 Ų | 84.1 | 82% | 0.822 | 49% | 0.486 | S | S | * | . | trans | -65.4 | 86.5 | 163.9 | 49.3 | 0 | 0 | 0 | 0 | 109.4 | S3044 S3048 | S3044-S3046 VanDerWaalsContact C-N 3.29Å; S3044-S3046 PolarHBondContact O-N 2.88Å; S3044-S3046 VanDerWaalsContact O-N 3.17Å; S3046-S3048 VanDerWaalsContact C-N 3.35Å; S3046-S3048 PolarHBondContact O-N 3.28Å; S3046-S3048 VanDerWaalsContact O-N 3.13Å | ||
| 3047 | I | 35.4 | Very low | 41.1 | Very low | 103.4 Ų | 103.4 | 85.1 Ų | 85.1 | 53% | 0.53 | 49% | 0.492 | S | S | . | . | trans | -73.9 | 95.1 | 171.4 | -58.5 | 173.3 | 0 | 0 | 0 | 107.2 | F3045 Y3054 | F3045-I3047 VanDerWaalsContact C-N 3.33Å; F3045-I3047 HydrophobicContact CB-CG1 4.32Å; F3045-I3047 PolarHBondContact O-N 3.31Å; I3047-Y3054 HydrophobicContact CG2-CE2 4.2Å | ||
| 3048 | S | 29.2 | Very low | 39.9 | Very low | 69.8 Ų | 69.8 | 88.9 Ų | 88.9 | 49% | 0.488 | 51% | 0.509 | S | S | . | . | trans | -58 | 132.3 | 168.9 | 69.5 | 0 | 0 | 0 | 0 | 109.3 | S3046 S3050 | S3046-S3048 VanDerWaalsContact C-N 3.35Å; S3046-S3048 PolarHBondContact O-N 3.28Å; S3046-S3048 VanDerWaalsContact O-N 3.13Å; S3048-S3050 VanDerWaalsContact C-N 3.28Å; S3048-S3050 PolarHBondContact O-N 3.26Å; S3048-S3050 PolarHBondContact OG-OG 3.18Å | ||
| 3049 | P | 31.5 | Very low | 38.5 | Very low | 121 Ų | 121 | 95.3 Ų | 95.3 | 79% | 0.786 | 54% | 0.543 | S | S | * | . | trans | -75.1 | 49.9 | 179.7 | 22.3 | -21.1 | 0 | 0 | 0 | 111.4 | H3051 | P3049-H3051 PolarHBondContact O-N 3.05Š| ||
| 3050 | S | 31.3 | Very low | 37.2 | Very low | 66.6 Ų | 66.6 | 98.4 Ų | 98.4 | 47% | 0.466 | 56% | 0.563 | S | S | . | * | trans | -106.1 | 125.2 | 172 | 51.1 | 0 | 0 | 0 | 0 | 109.5 | S3048 D3052 L3053 | S3048-S3050 VanDerWaalsContact C-N 3.28Å; S3048-S3050 PolarHBondContact O-N 3.26Å; S3048-S3050 PolarHBondContact OG-OG 3.18Å; S3050-D3052 VanDerWaalsContact C-N 3.28Å; S3050-D3052 PolarHBondContact O-N 3.03Å; S3050-D3052 VanDerWaalsContact O-N 3.15Å; S3050-L3053 PolarHBondContact O-N 3.34Å | ||
| 3051 | H | 32.4 | Very low | 36.1 | Very low | 165.8 Ų | 165.8 | 96.8 Ų | 96.8 | 77% | 0.768 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -0 | -166.1 | -101 | -84.5 | 0 | 0 | 0 | 115.3 | P3049 | P3049-H3051 PolarHBondContact O-N 3.05Š|
| 3052 | D | 32.1 | Very low | 35.5 | Very low | 145.2 Ų | 145.2 | 100.8 Ų | 100.8 | 78% | 0.776 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | -1.9 | -169.8 | -82.5 | -16.9 | 0 | 0 | 0 | 117.5 | S3050 | S3050-D3052 VanDerWaalsContact C-N 3.28Å; S3050-D3052 PolarHBondContact O-N 3.03Å; S3050-D3052 VanDerWaalsContact O-N 3.15Å |
| 3053 | L | 32.3 | Very low | 35 | Very low | 103.6 Ų | 103.6 | 109 Ų | 109 | 54% | 0.542 | 59% | 0.594 | S | S | . | * | trans | -105.2 | 13.1 | -173.2 | -75.4 | 167.9 | 0 | 0 | 0 | 116.2 | S3050 S3055 S3056 F3057 | S3050-L3053 PolarHBondContact O-N 3.34Å; L3053-S3055 VanDerWaalsContact C-N 3.29Å; L3053-S3055 PolarHBondContact O-N 3.4Å; L3053-S3055 VanDerWaalsContact O-N 3.08Å; L3053-S3056 WeakPolarHBondContact CD2-OG 3.33Å; L3053-S3056 PolarHBondContact O-N 2.98Å; L3053-S3056 VanDerWaalsContact O-N 3.16Å; L3053-S3056 PolarHBondContact O-OG 3.26Å; L3053-F3057 PolarHBondContact O-N 3.15Å | ||
| 3054 | Y | 36.7 | Very low | 35.2 | Very low | 127 Ų | 127 | 109.9 Ų | 109.9 | 50% | 0.498 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -70.3 | -22.5 | 177.8 | -104.1 | -84.3 | 0 | 0 | 0 | 114.4 | I3047 I3058 Q3076 | I3047-Y3054 HydrophobicContact CG2-CE2 4.2Å; Y3054-I3058 WeakPolarHBondContact O-CG1 3.38Å; Y3054-Q3076 HydrophobicContact CE1-CG 4.25Å |
| 3055 | S | 36.5 | Very low | 36.2 | Very low | 92.8 Ų | 92.8 | 107.9 Ų | 107.9 | 65% | 0.649 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -80.8 | -25.5 | 178.2 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | L3053 N3059 | L3053-S3055 VanDerWaalsContact C-N 3.29Å; L3053-S3055 PolarHBondContact O-N 3.4Å; L3053-S3055 VanDerWaalsContact O-N 3.08Å; S3055-N3059 PolarHBondContact O-ND2 3.33Å |
| 3056 | S | 36.3 | Very low | 37 | Very low | 49.4 Ų | 49.4 | 109.8 Ų | 109.8 | 35% | 0.345 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -84.1 | -32.9 | -179.9 | 63.6 | 0 | 0 | 0 | 0 | 112.8 | L3053 I3058 N3059 T3060 | L3053-S3056 WeakPolarHBondContact CD2-OG 3.33Å; L3053-S3056 PolarHBondContact O-N 2.98Å; L3053-S3056 VanDerWaalsContact O-N 3.16Å; L3053-S3056 PolarHBondContact O-OG 3.26Å; S3056-I3058 PolarHBondContact O-N 3.16Å; S3056-I3058 VanDerWaalsContact O-N 3.09Å; S3056-N3059 PolarHBondContact O-N 3.39Å; S3056-N3059 VanDerWaalsContact O-N 3.14Å; S3056-T3060 WeakPolarHBondContact O-CG2 2.86Å; S3056-T3060 PolarHBondContact O-N 2.76Å; S3056-T3060 VanDerWaalsContact O-N 3.14Å; S3056-T3060 PolarHBondContact O-OG1 2.84Å |
| 3057 | F | 33.1 | Very low | 38.7 | Very low | 102.8 Ų | 102.8 | 106.1 Ų | 106.1 | 45% | 0.451 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.9 | -27.2 | -173.3 | -130.5 | -86.5 | 0 | 0 | 0 | 113.9 | F3045 L3053 N3059 T3060 V3061 | F3045-F3057 AromaticContact CD1-CE1 3.88Å; F3045-F3057 HydrophobicContact CD1-CE1 4.18Å; F3045-F3057 AromaticContact CD1-CZ 3.94Å; F3045-F3057 HydrophobicContact CD1-CZ 3.94Å; F3045-F3057 HydrophobicContact CE1-CD1 4.02Å; F3045-F3057 AromaticContact CE1-CE1 3.34Å; F3045-F3057 HydrophobicContact CE1-CE1 3.82Å; F3045-F3057 AromaticContact CE1-CZ 3.85Å; F3045-F3057 HydrophobicContact CE1-CZ 4.03Å; F3045-F3057 HydrophobicContact CZ-CE1 4.43Å; L3053-F3057 PolarHBondContact O-N 3.15Å; F3057-N3059 PolarHBondContact O-N 3.34Å; F3057-N3059 VanDerWaalsContact O-N 3.1Å; F3057-T3060 WeakPolarHBondContact CA-OG1 3.3Å; F3057-T3060 VanDerWaalsContact CD1-OG1 3.22Å; F3057-T3060 WeakPolarHBondContact CD1-OG1 3.48Å; F3057-T3060 WeakPolarHBondContact CE1-OG1 3.27Å; F3057-T3060 PolarHBondContact O-N 3.16Å; F3057-T3060 VanDerWaalsContact O-N 3.11Å; F3057-T3060 PolarHBondContact O-OG1 3.09Å; F3057-T3060 VanDerWaalsContact O-OG1 3.13Å; F3057-V3061 HydrophobicContact CD1-CG2 4.12Å; F3057-V3061 VanDerWaalsContact O-CG2 3.29Å; F3057-V3061 WeakPolarHBondContact O-CG2 3.45Å; F3057-V3061 PolarHBondContact O-N 2.97Å |
| 3058 | I | 40.2 | Very low | 40 | Very low | 92 Ų | 92 | 104.8 Ų | 104.8 | 47% | 0.472 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.8 | -25.2 | 176.2 | -65.4 | 175.3 | 0 | 0 | 0 | 111.5 | Y3054 S3056 K3069 | Y3054-I3058 WeakPolarHBondContact O-CG1 3.38Å; S3056-I3058 PolarHBondContact O-N 3.16Å; S3056-I3058 VanDerWaalsContact O-N 3.09Å; I3058-K3069 PolarHBondContact O-NZ 2.91Å |
| 3059 | N | 39.1 | Very low | 41.9 | Very low | 135.4 Ų | 135.4 | 105.2 Ų | 105.2 | 72% | 0.724 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -93.9 | -9.5 | -177 | -68.7 | -26.7 | 0 | 0 | 0 | 114.4 | S3055 S3056 F3057 | S3055-N3059 PolarHBondContact O-ND2 3.33Å; S3056-N3059 PolarHBondContact O-N 3.39Å; S3056-N3059 VanDerWaalsContact O-N 3.14Å; F3057-N3059 PolarHBondContact O-N 3.34Å; F3057-N3059 VanDerWaalsContact O-N 3.1Å |
| 3060 | T | 39.7 | Very low | 43.8 | Very low | 89.6 Ų | 89.6 | 100.2 Ų | 100.2 | 55% | 0.55 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -104.5 | -3.8 | -178.1 | 50.6 | 0 | 0 | 0 | 0 | 114.3 | S3056 F3057 D3062 | S3056-T3060 WeakPolarHBondContact O-CG2 2.86Å; S3056-T3060 PolarHBondContact O-N 2.76Å; S3056-T3060 VanDerWaalsContact O-N 3.14Å; S3056-T3060 PolarHBondContact O-OG1 2.84Å; F3057-T3060 WeakPolarHBondContact CA-OG1 3.3Å; F3057-T3060 VanDerWaalsContact CD1-OG1 3.22Å; F3057-T3060 WeakPolarHBondContact CD1-OG1 3.48Å; F3057-T3060 WeakPolarHBondContact CE1-OG1 3.27Å; F3057-T3060 PolarHBondContact O-N 3.16Å; F3057-T3060 VanDerWaalsContact O-N 3.11Å; F3057-T3060 PolarHBondContact O-OG1 3.09Å; F3057-T3060 VanDerWaalsContact O-OG1 3.13Å; T3060-D3062 VanDerWaalsContact C-N 3.3Å; T3060-D3062 PolarHBondContact O-N 3.08Å |
| 3061 | V | 38 | Very low | 45.9 | Very low | 41.2 Ų | 41.2 | 97.6 Ų | 97.6 | 25% | 0.25 | 49% | 0.489 | C | S | . | . | trans | -77.4 | 59.5 | 177 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | F3057 Y3063 S3064 K3069 L3072 | F3057-V3061 HydrophobicContact CD1-CG2 4.12Å; F3057-V3061 VanDerWaalsContact O-CG2 3.29Å; F3057-V3061 WeakPolarHBondContact O-CG2 3.45Å; F3057-V3061 PolarHBondContact O-N 2.97Å; V3061-Y3063 PolarHBondContact O-N 3.18Å; V3061-Y3063 VanDerWaalsContact O-N 3.08Å; V3061-S3064 WeakPolarHBondContact CG1-OG 3.44Å; V3061-S3064 PolarHBondContact O-N 2.94Å; V3061-S3064 VanDerWaalsContact O-N 3.08Å; V3061-S3064 PolarHBondContact O-OG 3.48Å; V3061-S3064 VanDerWaalsContact O-OG 3.1Å; V3061-K3069 HydrophobicContact CG1-CD 4.32Å; V3061-K3069 HydrophobicContact CG1-CG 3.97Å; V3061-K3069 WeakPolarHBondContact O-CE 3.24Å; V3061-K3069 PolarHBondContact O-NZ 3.16Å; V3061-L3072 HydrophobicContact CG1-CD1 4.18Å; V3061-L3072 HydrophobicContact CG2-CD1 4.29Å | ||
| 3062 | D | 37.3 | Very low | 47.8 | Very low | 127.8 Ų | 127.8 | 92.3 Ų | 92.3 | 68% | 0.683 | 47% | 0.466 | S | S | * | . | trans | -65.9 | 75 | 177 | -90.4 | -28.2 | 0 | 0 | 0 | 113 | T3060 S3064 K3069 | T3060-D3062 VanDerWaalsContact C-N 3.3Å; T3060-D3062 PolarHBondContact O-N 3.08Å; D3062-S3064 VanDerWaalsContact C-N 3.28Å; D3062-S3064 PolarHBondContact O-N 3.15Å; D3062-S3064 PolarHBondContact O-OG 3.22Å; D3062-K3069 IonicContact OD1-NZ 2.75Å; D3062-K3069 PolarHBondContact OD1-NZ 3.05Å | ||
| 3063 | Y | 36.5 | Very low | 50 | Low | 232.8 Ų | 232.8 | 89.7 Ų | 89.7 | 91% | 0.913 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -44.8 | 1.6 | 171.1 | -74.3 | -83.2 | 0 | 0 | 0 | 119.1 | V3061 | V3061-Y3063 PolarHBondContact O-N 3.18Å; V3061-Y3063 VanDerWaalsContact O-N 3.08Å |
| 3064 | S | 43.9 | Very low | 52.2 | Low | 73.6 Ų | 73.6 | 84.9 Ų | 84.9 | 52% | 0.515 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -95.4 | -31.5 | -172.4 | 60.7 | 0 | 0 | 0 | 0 | 115.6 | V3061 D3062 E3068 K3069 | V3061-S3064 WeakPolarHBondContact CG1-OG 3.44Å; V3061-S3064 PolarHBondContact O-N 2.94Å; V3061-S3064 VanDerWaalsContact O-N 3.08Å; V3061-S3064 PolarHBondContact O-OG 3.48Å; V3061-S3064 VanDerWaalsContact O-OG 3.1Å; D3062-S3064 VanDerWaalsContact C-N 3.28Å; D3062-S3064 PolarHBondContact O-N 3.15Å; D3062-S3064 PolarHBondContact O-OG 3.22Å; S3064-E3068 WeakPolarHBondContact CB-OE2 3.32Å; S3064-K3069 WeakPolarHBondContact OG-CG 3.31Å |
| 3065 | N | 56.3 | Low | 54.1 | Low | 83 Ų | 83 | 79.8 Ų | 79.8 | 44% | 0.444 | 40% | 0.404 | S | S | . | . | trans | -103.3 | 116.6 | 177.5 | -83.8 | -32.7 | 0 | 0 | 0 | 112 | D3067 E3068 K3069 | N3065-D3067 VanDerWaalsContact C-N 3.31Å; N3065-D3067 PolarHBondContact O-N 3.01Å; N3065-D3067 VanDerWaalsContact O-N 3.11Å; N3065-E3068 HydrophobicContact CB-CB 4.31Å; N3065-E3068 HydrophobicContact CB-CG 4.27Å; N3065-E3068 PolarHBondContact N-OE2 2.92Å; N3065-E3068 PolarHBondContact ND2-OE1 3.02Å; N3065-E3068 VanDerWaalsContact ND2-OE1 3.13Å; N3065-E3068 WeakPolarHBondContact O-CB 2.85Å; N3065-E3068 PolarHBondContact O-N 3.07Å; N3065-K3069 PolarHBondContact O-N 3.23Å | ||
| 3066 | Y | 51.3 | Low | 55.9 | Low | 165 Ų | 165 | 79.2 Ų | 79.2 | 65% | 0.647 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -53.5 | -38.1 | 176.5 | -174.4 | -89.2 | 0 | 0 | 0 | 112.8 | E3068 K3069 E3070 | Y3066-E3068 VanDerWaalsContact C-N 3.32Å; Y3066-E3068 PolarHBondContact O-N 3.21Å; Y3066-K3069 WeakPolarHBondContact O-CB 3.24Å; Y3066-K3069 PolarHBondContact O-N 3.03Å; Y3066-E3070 HydrophobicContact CD1-CG 4.32Å; Y3066-E3070 HydrophobicContact CE1-CG 3.93Å; Y3066-E3070 PolarHBondContact O-N 3.18Å |
| 3067 | D | 62.9 | Low | 58 | Low | 40.2 Ų | 40.2 | 81.1 Ų | 81.1 | 22% | 0.215 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.7 | -33.5 | -178.2 | -60.9 | -46.9 | 0 | 0 | 0 | 113.8 | N3065 K3069 E3070 L3071 S3100 I3103 | N3065-D3067 VanDerWaalsContact C-N 3.31Å; N3065-D3067 PolarHBondContact O-N 3.01Å; N3065-D3067 VanDerWaalsContact O-N 3.11Å; D3067-K3069 VanDerWaalsContact C-N 3.33Å; D3067-K3069 PolarHBondContact O-N 2.73Å; D3067-E3070 PolarHBondContact O-N 3.13Å; D3067-L3071 WeakPolarHBondContact O-CD1 3.12Å; D3067-L3071 VanDerWaalsContact O-CG 3.28Å; D3067-L3071 WeakPolarHBondContact O-CG 3.31Å; D3067-L3071 PolarHBondContact O-N 3.19Å; D3067-L3071 VanDerWaalsContact O-N 3.12Å; D3067-S3100 WeakPolarHBondContact OD1-CB 3.43Å; D3067-S3100 PolarHBondContact OD1-OG 3.28Å; D3067-S3100 VanDerWaalsContact OD1-OG 3.08Å; D3067-I3103 WeakPolarHBondContact OD1-CD1 3.43Å; D3067-I3103 VanDerWaalsContact OD2-CD1 3.32Å; D3067-I3103 WeakPolarHBondContact OD2-CD1 3.22Å |
| 3068 | E | 64.2 | Low | 60 | Low | 76.6 Ų | 76.6 | 76.4 Ų | 76.4 | 36% | 0.358 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.6 | -36.2 | 178.1 | -75.1 | 165.2 | -161.3 | 0 | 0 | 111.3 | S3064 N3065 Y3066 E3070 L3071 L3072 | S3064-E3068 WeakPolarHBondContact CB-OE2 3.32Å; N3065-E3068 HydrophobicContact CB-CB 4.31Å; N3065-E3068 HydrophobicContact CB-CG 4.27Å; N3065-E3068 PolarHBondContact N-OE2 2.92Å; N3065-E3068 PolarHBondContact ND2-OE1 3.02Å; N3065-E3068 VanDerWaalsContact ND2-OE1 3.13Å; N3065-E3068 WeakPolarHBondContact O-CB 2.85Å; N3065-E3068 PolarHBondContact O-N 3.07Å; Y3066-E3068 VanDerWaalsContact C-N 3.32Å; Y3066-E3068 PolarHBondContact O-N 3.21Å; E3068-E3070 VanDerWaalsContact C-N 3.32Å; E3068-E3070 PolarHBondContact O-N 3.35Å; E3068-L3071 PolarHBondContact O-N 3.28Å; E3068-L3072 WeakPolarHBondContact O-CB 3.18Å; E3068-L3072 WeakPolarHBondContact O-CG 3.16Å; E3068-L3072 PolarHBondContact O-N 3.14Å |
| 3069 | K | 68.2 | Low | 61.6 | Low | 76.8 Ų | 76.8 | 74.2 Ų | 74.2 | 33% | 0.334 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.4 | -37.4 | 175.1 | -133 | 174 | 179.5 | 167.7 | 0 | 112 | I3058 V3061 D3062 S3064 N3065 Y3066 D3067 L3072 K3073 | I3058-K3069 PolarHBondContact O-NZ 2.91Å; V3061-K3069 HydrophobicContact CG1-CD 4.32Å; V3061-K3069 HydrophobicContact CG1-CG 3.97Å; V3061-K3069 WeakPolarHBondContact O-CE 3.24Å; V3061-K3069 PolarHBondContact O-NZ 3.16Å; D3062-K3069 IonicContact OD1-NZ 2.75Å; D3062-K3069 PolarHBondContact OD1-NZ 3.05Å; S3064-K3069 WeakPolarHBondContact OG-CG 3.31Å; N3065-K3069 PolarHBondContact O-N 3.23Å; Y3066-K3069 WeakPolarHBondContact O-CB 3.24Å; Y3066-K3069 PolarHBondContact O-N 3.03Å; D3067-K3069 VanDerWaalsContact C-N 3.33Å; D3067-K3069 PolarHBondContact O-N 2.73Å; K3069-L3072 PolarHBondContact O-N 3.31Å; K3069-K3073 WeakPolarHBondContact O-CB 3.45Å; K3069-K3073 WeakPolarHBondContact O-CD 3.19Å; K3069-K3073 VanDerWaalsContact O-CG 3.28Å; K3069-K3073 WeakPolarHBondContact O-CG 3.36Å; K3069-K3073 PolarHBondContact O-N 3.12Å; K3069-K3073 VanDerWaalsContact O-N 3.11Å |
| 3070 | E | 71.5 | Confident | 63.2 | Low | 17.8 Ų | 17.8 | 74.8 Ų | 74.8 | 8% | 0.083 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -72 | -36.3 | 175.3 | -66.4 | -54.6 | 131.5 | 0 | 0 | 112.5 | Y3066 D3067 E3068 K3073 L3074 A3096 S3100 | Y3066-E3070 HydrophobicContact CD1-CG 4.32Å; Y3066-E3070 HydrophobicContact CE1-CG 3.93Å; Y3066-E3070 PolarHBondContact O-N 3.18Å; D3067-E3070 PolarHBondContact O-N 3.13Å; E3068-E3070 VanDerWaalsContact C-N 3.32Å; E3068-E3070 PolarHBondContact O-N 3.35Å; E3070-K3073 VanDerWaalsContact CD-NZ 3.26Å; E3070-K3073 PolarHBondContact O-N 2.99Å; E3070-K3073 IonicContact OE1-NZ 2.94Å; E3070-K3073 PolarHBondContact OE1-NZ 3.02Å; E3070-K3073 WeakPolarHBondContact OE2-CD 3.24Å; E3070-K3073 IonicContact OE2-NZ 2.68Å; E3070-K3073 PolarHBondContact OE2-NZ 3.36Å; E3070-K3073 VanDerWaalsContact OE2-NZ 3.09Å; E3070-L3074 WeakPolarHBondContact O-CB 3.32Å; E3070-L3074 PolarHBondContact O-N 3.21Å; E3070-A3096 HydrophobicContact CG-CB 4.38Å; E3070-S3100 WeakPolarHBondContact CB-OG 3.43Å |
| 3071 | L | 75 | Confident | 64.7 | Low | 10.2 Ų | 10.2 | 71.8 Ų | 71.8 | 5% | 0.053 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 174.5 | -71.3 | 165.7 | 0 | 0 | 0 | 112.5 | L3035 L3039 D3067 E3068 L3074 E3075 L3104 | L3035-L3071 HydrophobicContact CD1-CD2 4.18Å; L3039-L3071 HydrophobicContact CD2-CB 4.33Å; L3039-L3071 HydrophobicContact CD2-CD1 4.35Å; D3067-L3071 WeakPolarHBondContact O-CD1 3.12Å; D3067-L3071 VanDerWaalsContact O-CG 3.28Å; D3067-L3071 WeakPolarHBondContact O-CG 3.31Å; D3067-L3071 PolarHBondContact O-N 3.19Å; D3067-L3071 VanDerWaalsContact O-N 3.12Å; E3068-L3071 PolarHBondContact O-N 3.28Å; L3071-L3074 WeakPolarHBondContact O-CB 3.33Å; L3071-L3074 PolarHBondContact O-N 3.13Å; L3071-E3075 PolarHBondContact O-N 3.18Å; L3071-L3104 HydrophobicContact CD1-CB 4.2Å; L3071-L3104 HydrophobicContact CD1-CD1 4.08Å; L3071-L3104 HydrophobicContact CD1-CD2 4.41Å; L3071-L3104 HydrophobicContact CD2-CB 4.4Å; L3071-L3104 HydrophobicContact CD2-CD1 4.37Å; L3071-L3104 HydrophobicContact CD2-CD2 4.29Å |
| 3072 | L | 73.3 | Confident | 65.9 | Low | 55.8 Ų | 55.8 | 72.3 Ų | 72.3 | 29% | 0.292 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 175.1 | -77.2 | 163.1 | 0 | 0 | 0 | 112.3 | V3061 E3068 K3069 L3074 E3075 Q3076 | V3061-L3072 HydrophobicContact CG1-CD1 4.18Å; V3061-L3072 HydrophobicContact CG2-CD1 4.29Å; E3068-L3072 WeakPolarHBondContact O-CB 3.18Å; E3068-L3072 WeakPolarHBondContact O-CG 3.16Å; E3068-L3072 PolarHBondContact O-N 3.14Å; K3069-L3072 PolarHBondContact O-N 3.31Å; L3072-L3074 VanDerWaalsContact C-N 3.33Å; L3072-L3074 PolarHBondContact O-N 2.96Å; L3072-E3075 PolarHBondContact O-N 3.06Å; L3072-Q3076 WeakPolarHBondContact O-CG 3.39Å; L3072-Q3076 PolarHBondContact O-N 3.33Å; L3072-Q3076 VanDerWaalsContact O-N 3.09Å |
| 3073 | K | 77.3 | Confident | 67.2 | Low | 90.6 Ų | 90.6 | 71.6 Ų | 71.6 | 39% | 0.394 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 171.2 | -75.4 | 172.3 | -174.4 | 173.5 | 0 | 111.6 | K3069 E3070 E3075 Q3076 R3077 | K3069-K3073 WeakPolarHBondContact O-CB 3.45Å; K3069-K3073 WeakPolarHBondContact O-CD 3.19Å; K3069-K3073 VanDerWaalsContact O-CG 3.28Å; K3069-K3073 WeakPolarHBondContact O-CG 3.36Å; K3069-K3073 PolarHBondContact O-N 3.12Å; K3069-K3073 VanDerWaalsContact O-N 3.11Å; E3070-K3073 VanDerWaalsContact CD-NZ 3.26Å; E3070-K3073 PolarHBondContact O-N 2.99Å; E3070-K3073 IonicContact OE1-NZ 2.94Å; E3070-K3073 PolarHBondContact OE1-NZ 3.02Å; E3070-K3073 WeakPolarHBondContact OE2-CD 3.24Å; E3070-K3073 IonicContact OE2-NZ 2.68Å; E3070-K3073 PolarHBondContact OE2-NZ 3.36Å; E3070-K3073 VanDerWaalsContact OE2-NZ 3.09Å; K3073-E3075 VanDerWaalsContact C-N 3.35Å; K3073-Q3076 PolarHBondContact O-N 3.1Å; K3073-R3077 VanDerWaalsContact O-CB 3.31Å; K3073-R3077 WeakPolarHBondContact O-CB 3.36Å; K3073-R3077 WeakPolarHBondContact O-CG 3.4Å; K3073-R3077 PolarHBondContact O-N 3.12Å |
| 3074 | L | 79.2 | Confident | 68.4 | Low | 3.2 Ų | 3.2 | 62 Ų | 62 | 2% | 0.017 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 177.1 | 177.5 | 59.6 | 0 | 0 | 0 | 111.3 | L3035 E3070 L3071 L3072 Q3076 R3077 L3078 F3091 L3093 E3097 C3101 | L3035-L3074 HydrophobicContact CD1-CD2 3.99Å; L3035-L3074 HydrophobicContact CD1-CG 4.21Å; L3035-L3074 HydrophobicContact CD2-CB 4.28Å; L3035-L3074 HydrophobicContact CD2-CD2 4.1Å; L3035-L3074 HydrophobicContact CD2-CG 4.02Å; E3070-L3074 WeakPolarHBondContact O-CB 3.32Å; E3070-L3074 PolarHBondContact O-N 3.21Å; L3071-L3074 WeakPolarHBondContact O-CB 3.33Å; L3071-L3074 PolarHBondContact O-N 3.13Å; L3072-L3074 VanDerWaalsContact C-N 3.33Å; L3072-L3074 PolarHBondContact O-N 2.96Å; L3074-Q3076 VanDerWaalsContact C-N 3.31Å; L3074-Q3076 PolarHBondContact O-N 3.17Å; L3074-R3077 PolarHBondContact O-N 2.95Å; L3074-L3078 HydrophobicContact CD1-CD1 3.96Å; L3074-L3078 HydrophobicContact CD1-CG 3.95Å; L3074-L3078 HydrophobicContact CG-CD1 3.91Å; L3074-L3078 HydrophobicContact CG-CG 4.35Å; L3074-L3078 WeakPolarHBondContact O-CB 3.36Å; L3074-L3078 WeakPolarHBondContact O-CG 3.32Å; L3074-L3078 PolarHBondContact O-N 3.07Å; L3074-F3091 HydrophobicContact CD1-CE1 4.03Å; L3074-F3091 HydrophobicContact CD1-CZ 4Å; L3074-L3093 HydrophobicContact CD1-CD2 3.35Å; L3074-L3093 VanDerWaalsContact CD1-CD2 3.44Å; L3074-L3093 HydrophobicContact CD2-CD2 3.8Å; L3074-L3093 HydrophobicContact CG-CD2 4.23Å; L3074-E3097 HydrophobicContact CB-CG 4.15Å; L3074-E3097 HydrophobicContact CD1-CB 4.45Å; L3074-E3097 HydrophobicContact CD1-CG 4.36Å; L3074-E3097 HydrophobicContact CD2-CB 4.31Å; L3074-C3101 WeakPolarHBondContact CD2-SG 3.35Å |
| 3075 | E | 76.7 | Confident | 68.7 | Low | 18.6 Ų | 18.6 | 66.5 Ų | 66.5 | 9% | 0.087 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55.5 | -49 | 174.9 | -173.7 | 179.9 | -177.3 | 0 | 0 | 111 | Y3032 L3035 R3036 L3071 L3072 K3073 R3077 L3078 L3079 | Y3032-E3075 HydrophobicContact CD2-CG 3.92Å; Y3032-E3075 HydrophobicContact CE2-CG 3.56Å; Y3032-E3075 VanDerWaalsContact CE2-CG 3.45Å; Y3032-E3075 PolarHBondContact OH-OE1 3.1Å; L3035-E3075 HydrophobicContact CD2-CB 3.8Å; L3035-E3075 HydrophobicContact CD2-CG 4.25Å; R3036-E3075 WeakPolarHBondContact CD-OE1 3.5Å; R3036-E3075 WeakPolarHBondContact CG-OE1 3.24Å; R3036-E3075 IonicContact NE-OE1 2.75Å; L3071-E3075 PolarHBondContact O-N 3.18Å; L3072-E3075 PolarHBondContact O-N 3.06Å; K3073-E3075 VanDerWaalsContact C-N 3.35Å; E3075-R3077 PolarHBondContact O-N 3.08Å; E3075-L3078 PolarHBondContact O-N 3.01Å; E3075-L3079 VanDerWaalsContact O-CB 3.26Å; E3075-L3079 WeakPolarHBondContact O-CB 3.4Å; E3075-L3079 PolarHBondContact O-N 3.23Å |
| 3076 | Q | 74.5 | Confident | 68.5 | Low | 81 Ų | 81 | 70.3 Ų | 70.3 | 38% | 0.379 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 177.4 | -71.9 | 177.1 | -5.6 | 0 | 0 | 112.7 | Y3054 L3072 K3073 L3074 L3079 H3080 | Y3054-Q3076 HydrophobicContact CE1-CG 4.25Å; L3072-Q3076 WeakPolarHBondContact O-CG 3.39Å; L3072-Q3076 PolarHBondContact O-N 3.33Å; L3072-Q3076 VanDerWaalsContact O-N 3.09Å; K3073-Q3076 PolarHBondContact O-N 3.1Å; L3074-Q3076 VanDerWaalsContact C-N 3.31Å; L3074-Q3076 PolarHBondContact O-N 3.17Å; Q3076-L3079 PolarHBondContact O-N 3.35Å; Q3076-H3080 VanDerWaalsContact O-CB 3.25Å; Q3076-H3080 WeakPolarHBondContact O-CB 3.2Å; Q3076-H3080 PolarHBondContact O-N 3.02Å |
| 3077 | R | 80.2 | Confident | 68.5 | Low | 89.8 Ų | 89.8 | 68.8 Ų | 68.8 | 34% | 0.339 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 178.2 | -84.2 | -172.8 | 62.7 | -152.4 | -6.6 | 112 | K3073 L3074 E3075 L3079 H3080 Y3081 F3091 M3092 E3097 | K3073-R3077 VanDerWaalsContact O-CB 3.31Å; K3073-R3077 WeakPolarHBondContact O-CB 3.36Å; K3073-R3077 WeakPolarHBondContact O-CG 3.4Å; K3073-R3077 PolarHBondContact O-N 3.12Å; L3074-R3077 PolarHBondContact O-N 2.95Å; E3075-R3077 PolarHBondContact O-N 3.08Å; R3077-L3079 VanDerWaalsContact C-N 3.33Å; R3077-H3080 PolarHBondContact O-N 2.97Å; R3077-Y3081 VanDerWaalsContact O-CB 3.27Å; R3077-Y3081 WeakPolarHBondContact O-CB 3.25Å; R3077-Y3081 PolarHBondContact O-N 3.25Å; R3077-F3091 HydrophobicContact CB-CE2 3.79Å; R3077-F3091 HydrophobicContact CB-CZ 3.79Å; R3077-F3091 WeakPolarHBondContact O-CE2 3.43Å; R3077-M3092 PolarHBondContact NH2-O 3.02Å; R3077-E3097 WeakPolarHBondContact CD-OE1 3.4Å; R3077-E3097 IonicContact CZ-OE1 2.73Å; R3077-E3097 IonicContact CZ-OE2 3.34Å; R3077-E3097 IonicContact NE-OE1 3.08Å; R3077-E3097 IonicContact NH1-OE1 3.08Å; R3077-E3097 PolarHBondContact NH1-OE1 3.34Å; R3077-E3097 IonicContact NH1-OE2 3.12Å; R3077-E3097 PolarHBondContact NH1-OE2 2.91Å |
| 3078 | L | 75.1 | Confident | 68 | Low | 3.6 Ų | 3.6 | 75.8 Ų | 75.8 | 2% | 0.019 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 175.9 | -72.9 | 169.1 | 0 | 0 | 0 | 111 | I3023 A3031 Y3032 L3035 L3074 E3075 H3080 Y3081 Y3082 F3091 | I3023-L3078 HydrophobicContact CD1-CD2 4.04Å; A3031-L3078 HydrophobicContact CB-CD1 4.15Å; A3031-L3078 HydrophobicContact CB-CD2 4.18Å; Y3032-L3078 HydrophobicContact CD2-CB 4.41Å; L3035-L3078 HydrophobicContact CD2-CD1 4.07Å; L3074-L3078 HydrophobicContact CD1-CD1 3.96Å; L3074-L3078 HydrophobicContact CD1-CG 3.95Å; L3074-L3078 HydrophobicContact CG-CD1 3.91Å; L3074-L3078 HydrophobicContact CG-CG 4.35Å; L3074-L3078 WeakPolarHBondContact O-CB 3.36Å; L3074-L3078 WeakPolarHBondContact O-CG 3.32Å; L3074-L3078 PolarHBondContact O-N 3.07Å; E3075-L3078 PolarHBondContact O-N 3.01Å; L3078-H3080 PolarHBondContact O-N 3.19Å; L3078-Y3081 PolarHBondContact O-N 3.2Å; L3078-Y3082 VanDerWaalsContact O-CB 3.23Å; L3078-Y3082 WeakPolarHBondContact O-CB 3.25Å; L3078-Y3082 PolarHBondContact O-N 3.12Å; L3078-F3091 HydrophobicContact CD2-CD1 3.93Å; L3078-F3091 HydrophobicContact CD2-CE1 3.52Å; L3078-F3091 VanDerWaalsContact CD2-CE1 3.46Å; L3078-F3091 HydrophobicContact CD2-CE2 4.26Å; L3078-F3091 HydrophobicContact CD2-CG 4.38Å; L3078-F3091 HydrophobicContact CD2-CZ 3.74Å; L3078-F3091 HydrophobicContact CG-CE1 4.13Å; L3078-F3091 HydrophobicContact CG-CZ 3.96Å |
| 3079 | L | 73 | Confident | 67.8 | Low | 46.4 Ų | 46.4 | 79.4 Ų | 79.4 | 24% | 0.243 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 176.4 | -172.4 | 66.8 | 0 | 0 | 0 | 112.1 | Y3032 E3075 Q3076 R3077 Y3081 Y3082 F3083 | Y3032-L3079 HydrophobicContact CD1-CD1 4.32Å; Y3032-L3079 HydrophobicContact CD2-CB 4.15Å; Y3032-L3079 HydrophobicContact CD2-CD1 4.31Å; Y3032-L3079 HydrophobicContact CE1-CD1 3.91Å; Y3032-L3079 HydrophobicContact CE2-CB 3.99Å; Y3032-L3079 HydrophobicContact CE2-CD1 3.89Å; Y3032-L3079 HydrophobicContact CE2-CD2 4.32Å; Y3032-L3079 HydrophobicContact CE2-CG 4.32Å; Y3032-L3079 HydrophobicContact CG-CD1 4.46Å; E3075-L3079 VanDerWaalsContact O-CB 3.26Å; E3075-L3079 WeakPolarHBondContact O-CB 3.4Å; E3075-L3079 PolarHBondContact O-N 3.23Å; Q3076-L3079 PolarHBondContact O-N 3.35Å; R3077-L3079 VanDerWaalsContact C-N 3.33Å; L3079-Y3081 VanDerWaalsContact C-N 3.34Å; L3079-Y3081 PolarHBondContact O-N 3.21Å; L3079-Y3082 WeakPolarHBondContact O-CB 3.4Å; L3079-Y3082 PolarHBondContact O-N 3.06Å; L3079-F3083 HydrophobicContact CD1-CD2 4.03Å; L3079-F3083 HydrophobicContact CD1-CE2 3.6Å; L3079-F3083 VanDerWaalsContact CD1-CE2 3.44Å; L3079-F3083 HydrophobicContact CG-CD2 4.17Å; L3079-F3083 HydrophobicContact CG-CE2 4.15Å; L3079-F3083 VanDerWaalsContact O-CD2 3.28Å; L3079-F3083 WeakPolarHBondContact O-CD2 3.32Å; L3079-F3083 PolarHBondContact O-N 3.21Å; L3079-F3083 VanDerWaalsContact O-N 3.09Å |
| 3080 | H | 73.2 | Confident | 67.5 | Low | 148 Ų | 148 | 78.5 Ų | 78.5 | 69% | 0.685 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -65.5 | -41.4 | 178.5 | -148.9 | 59.4 | 0 | 0 | 0 | 111.9 | Q3076 R3077 L3078 Y3082 F3083 S3084 | Q3076-H3080 VanDerWaalsContact O-CB 3.25Å; Q3076-H3080 WeakPolarHBondContact O-CB 3.2Å; Q3076-H3080 PolarHBondContact O-N 3.02Å; R3077-H3080 PolarHBondContact O-N 2.97Å; L3078-H3080 PolarHBondContact O-N 3.19Å; H3080-Y3082 VanDerWaalsContact C-N 3.32Å; H3080-Y3082 PolarHBondContact O-N 2.94Å; H3080-F3083 CarbonylContact O-C 3.59Å; H3080-F3083 PolarHBondContact O-N 3.01Å; H3080-S3084 WeakPolarHBondContact O-CB 3.08Å; H3080-S3084 PolarHBondContact O-N 3.18Å; H3080-S3084 VanDerWaalsContact O-N 3.08Å |
| 3081 | Y | 70.6 | Confident | 67.5 | Low | 26.4 Ų | 26.4 | 78.2 Ų | 78.2 | 10% | 0.104 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 177 | -178.3 | -108.2 | 0 | 0 | 0 | 111.9 | I3023 K3025 S3028 R3077 L3078 L3079 F3083 S3084 E3087 Q3089 F3091 | I3023-Y3081 WeakPolarHBondContact O-CE1 3.36Å; I3023-Y3081 PolarHBondContact O-OH 2.88Å; K3025-Y3081 HydrophobicContact CB-CE1 4.26Å; S3028-Y3081 VanDerWaalsContact OG-CD1 3.31Å; S3028-Y3081 WeakPolarHBondContact OG-CD1 3.31Å; R3077-Y3081 VanDerWaalsContact O-CB 3.27Å; R3077-Y3081 WeakPolarHBondContact O-CB 3.25Å; R3077-Y3081 PolarHBondContact O-N 3.25Å; L3078-Y3081 PolarHBondContact O-N 3.2Å; L3079-Y3081 VanDerWaalsContact C-N 3.34Å; L3079-Y3081 PolarHBondContact O-N 3.21Å; Y3081-F3083 VanDerWaalsContact C-N 3.3Å; Y3081-F3083 PolarHBondContact O-N 3.12Å; Y3081-S3084 WeakPolarHBondContact O-CB 3.22Å; Y3081-S3084 PolarHBondContact O-N 3.28Å; Y3081-S3084 VanDerWaalsContact O-N 3.13Å; Y3081-S3084 PolarHBondContact O-OG 2.96Å; Y3081-S3084 VanDerWaalsContact O-OG 3.08Å; Y3081-E3087 HydrophobicContact CE2-CB 4.48Å; Y3081-Q3089 WeakPolarHBondContact CE2-O 3.33Å; Y3081-Q3089 VanDerWaalsContact CZ-O 3.27Å; Y3081-Q3089 PolarHBondContact OH-O 3.17Å; Y3081-F3091 HydrophobicContact CD1-CB 3.67Å; Y3081-F3091 AromaticContact CD1-CD2 3.84Å; Y3081-F3091 HydrophobicContact CD1-CD2 3.88Å; Y3081-F3091 AromaticContact CD1-CG 3.89Å; Y3081-F3091 HydrophobicContact CD1-CG 4.08Å; Y3081-F3091 HydrophobicContact CD2-CB 4.29Å; Y3081-F3091 HydrophobicContact CD2-CD2 4.11Å; Y3081-F3091 HydrophobicContact CE1-CB 3.53Å; Y3081-F3091 VanDerWaalsContact CE1-CB 3.41Å; Y3081-F3091 HydrophobicContact CE1-CD2 4.47Å; Y3081-F3091 HydrophobicContact CE1-CG 4.35Å; Y3081-F3091 HydrophobicContact CE2-CB 4.19Å; Y3081-F3091 HydrophobicContact CG-CB 4.05Å; Y3081-F3091 AromaticContact CG-CD2 3.61Å; Y3081-F3091 HydrophobicContact CG-CD2 3.61Å; Y3081-F3091 HydrophobicContact CG-CE2 4.46Å; Y3081-F3091 HydrophobicContact CG-CG 4.24Å |
| 3082 | Y | 64.4 | Low | 67.5 | Low | 51.8 Ų | 51.8 | 82.3 Ų | 82.3 | 20% | 0.203 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.4 | -40.2 | 173.3 | 174.9 | -111.2 | 0 | 0 | 0 | 113 | L2936 F2950 K3025 S3028 A3029 L3078 L3079 H3080 | L2936-Y3082 WeakPolarHBondContact CB-OH 3.42Å; F2950-Y3082 HydrophobicContact CE1-CE2 4.25Å; F2950-Y3082 AromaticContact CZ-CE2 3.85Å; F2950-Y3082 HydrophobicContact CZ-CE2 3.85Å; K3025-Y3082 WeakPolarHBondContact CE-O 3.26Å; K3025-Y3082 HydrophobicContact CG-CD2 4.47Å; S3028-Y3082 WeakPolarHBondContact OG-CA 3.27Å; S3028-Y3082 WeakPolarHBondContact OG-CB 3.38Å; A3029-Y3082 HydrophobicContact CB-CD2 3.5Å; A3029-Y3082 VanDerWaalsContact CB-CD2 3.44Å; A3029-Y3082 HydrophobicContact CB-CE2 3.53Å; A3029-Y3082 VanDerWaalsContact CB-CE2 3.46Å; A3029-Y3082 HydrophobicContact CB-CG 4.31Å; L3078-Y3082 VanDerWaalsContact O-CB 3.23Å; L3078-Y3082 WeakPolarHBondContact O-CB 3.25Å; L3078-Y3082 PolarHBondContact O-N 3.12Å; L3079-Y3082 WeakPolarHBondContact O-CB 3.4Å; L3079-Y3082 PolarHBondContact O-N 3.06Å; H3080-Y3082 VanDerWaalsContact C-N 3.32Å; H3080-Y3082 PolarHBondContact O-N 2.94Å |
| 3083 | F | 63.4 | Low | 67.5 | Low | 112.6 Ų | 112.6 | 80.7 Ų | 80.7 | 49% | 0.494 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -87.3 | -4 | 178.2 | -73.9 | -62.4 | 0 | 0 | 0 | 115 | K2937 L3079 H3080 Y3081 L3085 | K2937-F3083 HydrophobicContact CB-CE1 4.15Å; K2937-F3083 HydrophobicContact CB-CZ 4.1Å; K2937-F3083 HydrophobicContact CD-CE1 4.07Å; K2937-F3083 HydrophobicContact CD-CZ 4.32Å; K2937-F3083 HydrophobicContact CG-CE1 3.94Å; K2937-F3083 HydrophobicContact CG-CZ 3.77Å; L3079-F3083 HydrophobicContact CD1-CD2 4.03Å; L3079-F3083 HydrophobicContact CD1-CE2 3.6Å; L3079-F3083 VanDerWaalsContact CD1-CE2 3.44Å; L3079-F3083 HydrophobicContact CG-CD2 4.17Å; L3079-F3083 HydrophobicContact CG-CE2 4.15Å; L3079-F3083 VanDerWaalsContact O-CD2 3.28Å; L3079-F3083 WeakPolarHBondContact O-CD2 3.32Å; L3079-F3083 PolarHBondContact O-N 3.21Å; L3079-F3083 VanDerWaalsContact O-N 3.09Å; H3080-F3083 CarbonylContact O-C 3.59Å; H3080-F3083 PolarHBondContact O-N 3.01Å; Y3081-F3083 VanDerWaalsContact C-N 3.3Å; Y3081-F3083 PolarHBondContact O-N 3.12Å; F3083-L3085 PolarHBondContact O-N 2.9Å |
| 3084 | S | 62.6 | Low | 67.7 | Low | 30.6 Ų | 30.6 | 79.4 Ų | 79.4 | 21% | 0.214 | 38% | 0.384 | C | S | . | . | trans | -67.6 | 139 | 179.5 | 72.5 | 0 | 0 | 0 | 0 | 111.6 | K3025 H3080 Y3081 E3086 | K3025-S3084 VanDerWaalsContact CE-O 3.22Å; K3025-S3084 WeakPolarHBondContact CE-O 3.31Å; K3025-S3084 PolarHBondContact NZ-O 3.06Å; H3080-S3084 WeakPolarHBondContact O-CB 3.08Å; H3080-S3084 PolarHBondContact O-N 3.18Å; H3080-S3084 VanDerWaalsContact O-N 3.08Å; Y3081-S3084 WeakPolarHBondContact O-CB 3.22Å; Y3081-S3084 PolarHBondContact O-N 3.28Å; Y3081-S3084 VanDerWaalsContact O-N 3.13Å; Y3081-S3084 PolarHBondContact O-OG 2.96Å; Y3081-S3084 VanDerWaalsContact O-OG 3.08Å; S3084-E3086 VanDerWaalsContact C-N 3.35Å | ||
| 3085 | L | 50.6 | Low | 67.6 | Low | 169.2 Ų | 169.2 | 84.1 Ų | 84.1 | 89% | 0.886 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -84.2 | -12 | 179.4 | -79.1 | 162.9 | 0 | 0 | 0 | 113.2 | F3083 E3087 | F3083-L3085 PolarHBondContact O-N 2.9Å; L3085-E3087 PolarHBondContact O-N 3.1Å |
| 3086 | E | 52.4 | Low | 67.6 | Low | 162 Ų | 162 | 85 Ų | 85 | 76% | 0.757 | 42% | 0.42 | S | S | * | . | trans | -102.7 | 90.5 | -172.9 | -66.4 | -175.9 | 167 | 0 | 0 | 111.9 | S3084 Q3088 | S3084-E3086 VanDerWaalsContact C-N 3.35Å; E3086-Q3088 VanDerWaalsContact C-N 3.34Å; E3086-Q3088 PolarHBondContact O-N 2.99Å; E3086-Q3088 VanDerWaalsContact O-N 3.16Å | ||
| 3087 | E | 50.7 | Low | 67.9 | Low | 134.4 Ų | 134.4 | 81.3 Ų | 81.3 | 63% | 0.628 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 14 | -174.7 | -63.4 | -171.9 | 150.1 | 0 | 0 | 114.4 | Y3081 L3085 Q3089 | Y3081-E3087 HydrophobicContact CE2-CB 4.48Å; L3085-E3087 PolarHBondContact O-N 3.1Å; E3087-Q3089 PolarHBondContact O-N 3.15Å |
| 3088 | Q | 53 | Low | 67.7 | Low | 187.4 Ų | 187.4 | 77.6 Ų | 77.6 | 88% | 0.876 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -6.8 | -170.9 | -68.1 | -162.8 | -12.8 | 0 | 0 | 115.9 | E3086 | E3086-Q3088 VanDerWaalsContact C-N 3.34Å; E3086-Q3088 PolarHBondContact O-N 2.99Å; E3086-Q3088 VanDerWaalsContact O-N 3.16Å |
| 3089 | Q | 58.3 | Low | 68 | Low | 151.8 Ų | 151.8 | 83.8 Ų | 83.8 | 71% | 0.709 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -105.2 | 131.9 | 178.4 | -70.1 | -171.2 | 1.4 | 0 | 0 | 111.1 | Y3081 E3087 F3091 | Y3081-Q3089 WeakPolarHBondContact CE2-O 3.33Å; Y3081-Q3089 VanDerWaalsContact CZ-O 3.27Å; Y3081-Q3089 PolarHBondContact OH-O 3.17Å; E3087-Q3089 PolarHBondContact O-N 3.15Å; Q3089-F3091 PolarHBondContact O-N 3.03Å |
| 3090 | S | 62.7 | Low | 68.2 | Low | 57.8 Ų | 57.8 | 81.7 Ų | 81.7 | 40% | 0.404 | 41% | 0.406 | S | S | . | . | trans | -81 | 136.2 | 177.6 | 60.7 | 0 | 0 | 0 | 0 | 111.6 | S3022 M3092 | S3022-S3090 VanDerWaalsContact CB-CB 3.47Å; S3022-S3090 VanDerWaalsContact CB-OG 3.24Å; S3022-S3090 WeakPolarHBondContact CB-OG 3.29Å; S3022-S3090 VanDerWaalsContact OG-CB 3.26Å; S3022-S3090 WeakPolarHBondContact OG-CB 3.41Å; S3022-S3090 PolarHBondContact OG-OG 3.29Å; S3022-S3090 VanDerWaalsContact OG-OG 3.08Å; S3090-M3092 PolarHBondContact O-N 3Å | ||
| 3091 | F | 70.7 | Confident | 68.4 | Low | 12 Ų | 12 | 74.8 Ų | 74.8 | 5% | 0.053 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -79 | 121.4 | -177.3 | -174.6 | -83.3 | 0 | 0 | 0 | 111.4 | S3022 I3023 L3074 R3077 L3078 Y3081 Q3089 L3093 | S3022-F3091 CarbonylContact C-O 3.51Å; S3022-F3091 WeakPolarHBondContact CA-O 3.33Å; I3023-F3091 HydrophobicContact CB-CB 4.28Å; I3023-F3091 HydrophobicContact CB-CD1 4.37Å; I3023-F3091 HydrophobicContact CD1-CD1 4.04Å; I3023-F3091 HydrophobicContact CD1-CE1 4.48Å; I3023-F3091 HydrophobicContact CG1-CD1 4.47Å; I3023-F3091 PolarHBondContact N-O 3.1Å; I3023-F3091 WeakPolarHBondContact O-CA 3.41Å; I3023-F3091 VanDerWaalsContact O-CB 3.23Å; I3023-F3091 WeakPolarHBondContact O-CB 3.32Å; I3023-F3091 PolarHBondContact O-N 3.14Å; L3074-F3091 HydrophobicContact CD1-CE1 4.03Å; L3074-F3091 HydrophobicContact CD1-CZ 4Å; R3077-F3091 HydrophobicContact CB-CE2 3.79Å; R3077-F3091 HydrophobicContact CB-CZ 3.79Å; R3077-F3091 WeakPolarHBondContact O-CE2 3.43Å; L3078-F3091 HydrophobicContact CD2-CD1 3.93Å; L3078-F3091 HydrophobicContact CD2-CE1 3.52Å; L3078-F3091 VanDerWaalsContact CD2-CE1 3.46Å; L3078-F3091 HydrophobicContact CD2-CE2 4.26Å; L3078-F3091 HydrophobicContact CD2-CG 4.38Å; L3078-F3091 HydrophobicContact CD2-CZ 3.74Å; L3078-F3091 HydrophobicContact CG-CE1 4.13Å; L3078-F3091 HydrophobicContact CG-CZ 3.96Å; Y3081-F3091 HydrophobicContact CD1-CB 3.67Å; Y3081-F3091 AromaticContact CD1-CD2 3.84Å; Y3081-F3091 HydrophobicContact CD1-CD2 3.88Å; Y3081-F3091 AromaticContact CD1-CG 3.89Å; Y3081-F3091 HydrophobicContact CD1-CG 4.08Å; Y3081-F3091 HydrophobicContact CD2-CB 4.29Å; Y3081-F3091 HydrophobicContact CD2-CD2 4.11Å; Y3081-F3091 HydrophobicContact CE1-CB 3.53Å; Y3081-F3091 VanDerWaalsContact CE1-CB 3.41Å; Y3081-F3091 HydrophobicContact CE1-CD2 4.47Å; Y3081-F3091 HydrophobicContact CE1-CG 4.35Å; Y3081-F3091 HydrophobicContact CE2-CB 4.19Å; Y3081-F3091 HydrophobicContact CG-CB 4.05Å; Y3081-F3091 AromaticContact CG-CD2 3.61Å; Y3081-F3091 HydrophobicContact CG-CD2 3.61Å; Y3081-F3091 HydrophobicContact CG-CE2 4.46Å; Y3081-F3091 HydrophobicContact CG-CG 4.24Å; Q3089-F3091 PolarHBondContact O-N 3.03Å; F3091-L3093 HydrophobicContact CE1-CD2 4.21Å; F3091-L3093 HydrophobicContact CE1-CG 4.33Å |
| 3092 | M | 74.9 | Confident | 68.8 | Low | 95.6 Ų | 95.6 | 78.2 Ų | 78.2 | 47% | 0.471 | 39% | 0.389 | S | S | . | . | trans | -111.1 | 135.2 | 174.7 | -72.9 | -135.7 | 80.5 | 0 | 0 | 111.7 | R3020 T3021 R3077 S3090 | R3020-M3092 VanDerWaalsContact O-CE 3.3Å; R3020-M3092 WeakPolarHBondContact O-CE 3.41Å; T3021-M3092 WeakPolarHBondContact O-CE 3.32Å; R3077-M3092 PolarHBondContact NH2-O 3.02Å; S3090-M3092 PolarHBondContact O-N 3Å | ||
| 3093 | L | 74.6 | Confident | 69.4 | Low | 22.8 Ų | 22.8 | 77.6 Ų | 77.6 | 12% | 0.119 | 39% | 0.389 | C | S | . | . | trans | -72.4 | 138.8 | 167.1 | -67.1 | 163.9 | 0 | 0 | 0 | 110.1 | I3016 T3017 I3023 L3074 F3091 E3097 I3098 | I3016-L3093 HydrophobicContact CG2-CD1 3.46Å; I3016-L3093 VanDerWaalsContact CG2-CD1 3.43Å; I3016-L3093 HydrophobicContact CG2-CG 4.41Å; I3016-L3093 VanDerWaalsContact O-CD1 3.25Å; I3016-L3093 WeakPolarHBondContact O-CD1 3.44Å; T3017-L3093 HydrophobicContact CG2-CD1 4.16Å; I3023-L3093 HydrophobicContact CD1-CD1 4.16Å; I3023-L3093 HydrophobicContact CD1-CG 4.3Å; L3074-L3093 HydrophobicContact CD1-CD2 3.35Å; L3074-L3093 VanDerWaalsContact CD1-CD2 3.44Å; L3074-L3093 HydrophobicContact CD2-CD2 3.8Å; L3074-L3093 HydrophobicContact CG-CD2 4.23Å; F3091-L3093 HydrophobicContact CE1-CD2 4.21Å; F3091-L3093 HydrophobicContact CE1-CG 4.33Å; L3093-E3097 WeakPolarHBondContact CA-OE2 3.34Å; L3093-E3097 HydrophobicContact CD2-CB 4.12Å; L3093-I3098 HydrophobicContact CB-CD1 4.16Å; L3093-I3098 HydrophobicContact CB-CG1 3.72Å; L3093-I3098 HydrophobicContact CD1-CG1 4.18Å; L3093-I3098 HydrophobicContact CG-CG1 4.48Å | ||
| 3094 | T | 80.8 | Confident | 70 | Confident | 63.2 Ų | 63.2 | 72.8 Ų | 72.8 | 39% | 0.388 | 37% | 0.368 | S | S | . | . | trans | -78.3 | 157.5 | 168.2 | 62.5 | 0 | 0 | 0 | 0 | 110.6 | A3096 E3097 I3098 | T3094-A3096 PolarHBondContact O-N 3Å; T3094-A3096 VanDerWaalsContact O-N 3.17Å; T3094-E3097 WeakPolarHBondContact CB-OE2 3.15Å; T3094-E3097 WeakPolarHBondContact CG2-OE2 3.31Å; T3094-E3097 PolarHBondContact N-OE2 3.06Å; T3094-E3097 WeakPolarHBondContact O-CB 3.34Å; T3094-E3097 PolarHBondContact O-N 3.2Å; T3094-E3097 VanDerWaalsContact O-N 3.11Å; T3094-E3097 VanDerWaalsContact OG1-CD 3.26Å; T3094-E3097 WeakPolarHBondContact OG1-CG 3.36Å; T3094-E3097 PolarHBondContact OG1-N 3.14Å; T3094-E3097 PolarHBondContact OG1-OE2 3.13Å; T3094-I3098 WeakPolarHBondContact O-CG1 3.31Å; T3094-I3098 PolarHBondContact O-N 3.06Å | ||
| 3095 | D | 77.3 | Confident | 70.6 | Confident | 101.4 Ų | 101.4 | 71.6 Ų | 71.6 | 54% | 0.542 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.5 | -27.7 | 176.8 | -78.9 | -37.3 | 0 | 0 | 0 | 113.2 | R3020 K3099 | R3020-D3095 IonicContact CZ-OD1 3.1Å; R3020-D3095 IonicContact CZ-OD2 2.68Å; R3020-D3095 IonicContact NE-OD1 3.12Å; R3020-D3095 PolarHBondContact NE-OD1 3.18Å; R3020-D3095 VanDerWaalsContact NH2-CG 3.29Å; R3020-D3095 IonicContact NH2-OD1 3Å; R3020-D3095 PolarHBondContact NH2-OD1 3.28Å; R3020-D3095 IonicContact NH2-OD2 3.26Å; R3020-D3095 PolarHBondContact NH2-OD2 3.37Å; D3095-K3099 VanDerWaalsContact O-CB 3.28Å; D3095-K3099 WeakPolarHBondContact O-CB 3.32Å; D3095-K3099 PolarHBondContact O-N 3.07Å; D3095-K3099 VanDerWaalsContact O-N 3.08Å |
| 3096 | A | 77.4 | Confident | 71.7 | Confident | 36.6 Ų | 36.6 | 70.1 Ų | 70.1 | 30% | 0.302 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.3 | -47.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E3070 T3094 I3098 K3099 S3100 | E3070-A3096 HydrophobicContact CG-CB 4.38Å; T3094-A3096 PolarHBondContact O-N 3Å; T3094-A3096 VanDerWaalsContact O-N 3.17Å; A3096-I3098 PolarHBondContact O-N 3.02Å; A3096-K3099 WeakPolarHBondContact O-CB 3.25Å; A3096-K3099 PolarHBondContact O-N 3.39Å; A3096-K3099 VanDerWaalsContact O-N 3.12Å; A3096-S3100 WeakPolarHBondContact O-CB 3.35Å; A3096-S3100 PolarHBondContact O-N 3.17Å; A3096-S3100 PolarHBondContact O-OG 3.15Å; A3096-S3100 VanDerWaalsContact O-OG 3.09Å |
| 3097 | E | 80.1 | Confident | 72.6 | Confident | 4.4 Ų | 4.4 | 68.3 Ų | 68.3 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 176.8 | -68.8 | 162.1 | 149.4 | 0 | 0 | 111.6 | L3074 R3077 L3093 T3094 K3099 S3100 C3101 | L3074-E3097 HydrophobicContact CB-CG 4.15Å; L3074-E3097 HydrophobicContact CD1-CB 4.45Å; L3074-E3097 HydrophobicContact CD1-CG 4.36Å; L3074-E3097 HydrophobicContact CD2-CB 4.31Å; R3077-E3097 WeakPolarHBondContact CD-OE1 3.4Å; R3077-E3097 IonicContact CZ-OE1 2.73Å; R3077-E3097 IonicContact CZ-OE2 3.34Å; R3077-E3097 IonicContact NE-OE1 3.08Å; R3077-E3097 IonicContact NH1-OE1 3.08Å; R3077-E3097 PolarHBondContact NH1-OE1 3.34Å; R3077-E3097 IonicContact NH1-OE2 3.12Å; R3077-E3097 PolarHBondContact NH1-OE2 2.91Å; L3093-E3097 WeakPolarHBondContact CA-OE2 3.34Å; L3093-E3097 HydrophobicContact CD2-CB 4.12Å; T3094-E3097 WeakPolarHBondContact CB-OE2 3.15Å; T3094-E3097 WeakPolarHBondContact CG2-OE2 3.31Å; T3094-E3097 PolarHBondContact N-OE2 3.06Å; T3094-E3097 WeakPolarHBondContact O-CB 3.34Å; T3094-E3097 PolarHBondContact O-N 3.2Å; T3094-E3097 VanDerWaalsContact O-N 3.11Å; T3094-E3097 VanDerWaalsContact OG1-CD 3.26Å; T3094-E3097 WeakPolarHBondContact OG1-CG 3.36Å; T3094-E3097 PolarHBondContact OG1-N 3.14Å; T3094-E3097 PolarHBondContact OG1-OE2 3.13Å; E3097-K3099 VanDerWaalsContact C-N 3.31Å; E3097-K3099 PolarHBondContact O-N 3.04Å; E3097-S3100 PolarHBondContact O-N 3.11Å; E3097-S3100 VanDerWaalsContact O-N 3.15Å; E3097-C3101 VanDerWaalsContact O-CB 3.3Å; E3097-C3101 WeakPolarHBondContact O-CB 3.32Å; E3097-C3101 PolarHBondContact O-N 3.06Å; E3097-C3101 PolarHBondContact O-SG 3.24Å; E3097-C3101 VanDerWaalsContact O-SG 3.36Å |
| 3098 | I | 77 | Confident | 73.6 | Confident | 11.2 Ų | 11.2 | 62.3 Ų | 62.3 | 6% | 0.057 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59 | -43.9 | 174.5 | -66 | 170.3 | 0 | 0 | 0 | 110.5 | R3020 L3093 T3094 A3096 C3101 K3102 | R3020-I3098 HydrophobicContact CG-CD1 3.98Å; L3093-I3098 HydrophobicContact CB-CD1 4.16Å; L3093-I3098 HydrophobicContact CB-CG1 3.72Å; L3093-I3098 HydrophobicContact CD1-CG1 4.18Å; L3093-I3098 HydrophobicContact CG-CG1 4.48Å; T3094-I3098 WeakPolarHBondContact O-CG1 3.31Å; T3094-I3098 PolarHBondContact O-N 3.06Å; A3096-I3098 PolarHBondContact O-N 3.02Å; I3098-C3101 PolarHBondContact O-N 3.11Å; I3098-K3102 HydrophobicContact CG2-CD 4.17Å; I3098-K3102 HydrophobicContact CG2-CG 4.49Å; I3098-K3102 WeakPolarHBondContact O-CB 3.41Å; I3098-K3102 WeakPolarHBondContact O-CG 3.38Å; I3098-K3102 PolarHBondContact O-N 3.26Å |
| 3099 | K | 80 | Confident | 74.2 | Confident | 135.2 Ų | 135.2 | 55.3 Ų | 55.3 | 59% | 0.588 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63.6 | -47.3 | 178.2 | -174.5 | -175.7 | 175.3 | -168.5 | 0 | 111.3 | D3095 A3096 E3097 C3101 K3102 I3103 | D3095-K3099 VanDerWaalsContact O-CB 3.28Å; D3095-K3099 WeakPolarHBondContact O-CB 3.32Å; D3095-K3099 PolarHBondContact O-N 3.07Å; D3095-K3099 VanDerWaalsContact O-N 3.08Å; A3096-K3099 WeakPolarHBondContact O-CB 3.25Å; A3096-K3099 PolarHBondContact O-N 3.39Å; A3096-K3099 VanDerWaalsContact O-N 3.12Å; E3097-K3099 VanDerWaalsContact C-N 3.31Å; E3097-K3099 PolarHBondContact O-N 3.04Å; K3099-C3101 VanDerWaalsContact C-N 3.32Å; K3099-C3101 PolarHBondContact O-N 3.07Å; K3099-K3102 PolarHBondContact O-N 2.97Å; K3099-K3102 VanDerWaalsContact O-N 3.14Å; K3099-I3103 HydrophobicContact CG-CD1 4.14Å; K3099-I3103 WeakPolarHBondContact O-CG1 3.39Å; K3099-I3103 PolarHBondContact O-N 3.21Å |
| 3100 | S | 78.6 | Confident | 74.5 | Confident | 2.2 Ų | 2.2 | 51.6 Ų | 51.6 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.6 | -37.3 | -179.7 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | D3067 E3070 A3096 E3097 I3103 L3104 | D3067-S3100 WeakPolarHBondContact OD1-CB 3.43Å; D3067-S3100 PolarHBondContact OD1-OG 3.28Å; D3067-S3100 VanDerWaalsContact OD1-OG 3.08Å; E3070-S3100 WeakPolarHBondContact CB-OG 3.43Å; A3096-S3100 WeakPolarHBondContact O-CB 3.35Å; A3096-S3100 PolarHBondContact O-N 3.17Å; A3096-S3100 PolarHBondContact O-OG 3.15Å; A3096-S3100 VanDerWaalsContact O-OG 3.09Å; E3097-S3100 PolarHBondContact O-N 3.11Å; E3097-S3100 VanDerWaalsContact O-N 3.15Å; S3100-I3103 PolarHBondContact O-N 3.1Å; S3100-L3104 WeakPolarHBondContact O-CB 3.45Å; S3100-L3104 PolarHBondContact O-N 3.32Å |
| 3101 | C | 76.9 | Confident | 74.8 | Confident | 2.4 Ų | 2.4 | 53.4 Ų | 53.4 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 171.5 | -71 | 0 | 0 | 0 | 0 | 112.6 | I3013 T3017 L3074 E3097 I3098 K3099 I3103 L3104 L3105 | I3013-C3101 HydrophobicContact CG2-CB 4.01Å; T3017-C3101 HydrophobicContact CG2-CB 3.41Å; T3017-C3101 VanDerWaalsContact CG2-CB 3.46Å; L3074-C3101 WeakPolarHBondContact CD2-SG 3.35Å; E3097-C3101 VanDerWaalsContact O-CB 3.3Å; E3097-C3101 WeakPolarHBondContact O-CB 3.32Å; E3097-C3101 PolarHBondContact O-N 3.06Å; E3097-C3101 PolarHBondContact O-SG 3.24Å; E3097-C3101 VanDerWaalsContact O-SG 3.36Å; I3098-C3101 PolarHBondContact O-N 3.11Å; K3099-C3101 VanDerWaalsContact C-N 3.32Å; K3099-C3101 PolarHBondContact O-N 3.07Å; C3101-I3103 VanDerWaalsContact C-N 3.32Å; C3101-I3103 PolarHBondContact O-N 2.94Å; C3101-L3104 WeakPolarHBondContact O-CB 3.18Å; C3101-L3104 PolarHBondContact O-N 3.25Å; C3101-L3105 WeakPolarHBondContact O-CB 3.38Å; C3101-L3105 VanDerWaalsContact O-CG 3.3Å; C3101-L3105 WeakPolarHBondContact O-CG 3.29Å; C3101-L3105 PolarHBondContact O-N 3.12Å |
| 3102 | K | 77.7 | Confident | 74.4 | Confident | 98 Ų | 98 | 53 Ų | 53 | 43% | 0.426 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.5 | -37.6 | 174 | -76.4 | 178.4 | -179.4 | -179.2 | 0 | 112.2 | T3017 I3098 K3099 L3105 Q3106 | T3017-K3102 VanDerWaalsContact O-CE 3.27Å; T3017-K3102 WeakPolarHBondContact O-CE 3.26Å; T3017-K3102 PolarHBondContact O-NZ 2.89Å; T3017-K3102 VanDerWaalsContact O-NZ 3.14Å; I3098-K3102 HydrophobicContact CG2-CD 4.17Å; I3098-K3102 HydrophobicContact CG2-CG 4.49Å; I3098-K3102 WeakPolarHBondContact O-CB 3.41Å; I3098-K3102 WeakPolarHBondContact O-CG 3.38Å; I3098-K3102 PolarHBondContact O-N 3.26Å; K3099-K3102 PolarHBondContact O-N 2.97Å; K3099-K3102 VanDerWaalsContact O-N 3.14Å; K3102-L3105 PolarHBondContact O-N 3.17Å; K3102-Q3106 WeakPolarHBondContact O-CB 3.33Å; K3102-Q3106 WeakPolarHBondContact O-CG 3.29Å; K3102-Q3106 PolarHBondContact O-N 3.1Å |
| 3103 | I | 77.4 | Confident | 73.9 | Confident | 39 Ų | 39 | 50.3 Ų | 50.3 | 20% | 0.2 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 173.7 | -67.7 | 165.8 | 0 | 0 | 0 | 110.9 | D3067 K3099 S3100 C3101 Q3106 K3107 | D3067-I3103 WeakPolarHBondContact OD1-CD1 3.43Å; D3067-I3103 VanDerWaalsContact OD2-CD1 3.32Å; D3067-I3103 WeakPolarHBondContact OD2-CD1 3.22Å; K3099-I3103 HydrophobicContact CG-CD1 4.14Å; K3099-I3103 WeakPolarHBondContact O-CG1 3.39Å; K3099-I3103 PolarHBondContact O-N 3.21Å; S3100-I3103 PolarHBondContact O-N 3.1Å; C3101-I3103 VanDerWaalsContact C-N 3.32Å; C3101-I3103 PolarHBondContact O-N 2.94Å; I3103-Q3106 PolarHBondContact O-N 3.32Å; I3103-K3107 HydrophobicContact CG2-CD 4.39Å; I3103-K3107 WeakPolarHBondContact O-CG 3.24Å; I3103-K3107 PolarHBondContact O-N 3.06Å; I3103-K3107 VanDerWaalsContact O-N 3.09Å |
| 3104 | L | 77.1 | Confident | 73.4 | Confident | 11.2 Ų | 11.2 | 51.8 Ų | 51.8 | 6% | 0.059 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.2 | -48.6 | 173.8 | -178.3 | 90 | 0 | 0 | 0 | 111.2 | I3013 L3035 L3038 L3039 T3042 L3071 S3100 C3101 Q3106 K3107 Y3108 | I3013-L3104 HydrophobicContact CD1-CD2 4.1Å; L3035-L3104 HydrophobicContact CD1-CD2 4.05Å; L3038-L3104 HydrophobicContact CB-CD2 4.1Å; L3038-L3104 HydrophobicContact CB-CG 4.43Å; L3038-L3104 HydrophobicContact CD1-CD2 4.27Å; L3039-L3104 HydrophobicContact CD2-CD1 4.15Å; L3039-L3104 HydrophobicContact CG-CD1 4.41Å; T3042-L3104 HydrophobicContact CG2-CD1 4.3Å; L3071-L3104 HydrophobicContact CD1-CB 4.2Å; L3071-L3104 HydrophobicContact CD1-CD1 4.08Å; L3071-L3104 HydrophobicContact CD1-CD2 4.41Å; L3071-L3104 HydrophobicContact CD2-CB 4.4Å; L3071-L3104 HydrophobicContact CD2-CD1 4.37Å; L3071-L3104 HydrophobicContact CD2-CD2 4.29Å; S3100-L3104 WeakPolarHBondContact O-CB 3.45Å; S3100-L3104 PolarHBondContact O-N 3.32Å; C3101-L3104 WeakPolarHBondContact O-CB 3.18Å; C3101-L3104 PolarHBondContact O-N 3.25Å; L3104-Q3106 PolarHBondContact O-N 3Å; L3104-K3107 PolarHBondContact O-N 3.22Å; L3104-K3107 VanDerWaalsContact O-N 3.12Å; L3104-Y3108 WeakPolarHBondContact O-CB 3.3Å; L3104-Y3108 PolarHBondContact O-N 3.14Å; L3104-Y3108 VanDerWaalsContact O-N 3.11Å |
| 3105 | L | 74.7 | Confident | 72.6 | Confident | 6.4 Ų | 6.4 | 51.7 Ų | 51.7 | 3% | 0.034 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 176.9 | -69.4 | 168.8 | 0 | 0 | 0 | 111.3 | Y3010 I3013 Y3014 C3101 K3102 K3107 Y3108 E3109 | Y3010-L3105 HydrophobicContact CD1-CD2 4.34Å; Y3010-L3105 HydrophobicContact CD2-CB 4.39Å; Y3010-L3105 HydrophobicContact CD2-CD2 3.4Å; Y3010-L3105 VanDerWaalsContact CD2-CD2 3.45Å; Y3010-L3105 HydrophobicContact CD2-CG 4.43Å; Y3010-L3105 HydrophobicContact CE1-CD2 4.44Å; Y3010-L3105 HydrophobicContact CE2-CB 3.87Å; Y3010-L3105 HydrophobicContact CE2-CD2 3.54Å; Y3010-L3105 VanDerWaalsContact CE2-CD2 3.47Å; Y3010-L3105 HydrophobicContact CE2-CG 4.31Å; Y3010-L3105 WeakPolarHBondContact CE2-O 3.43Å; Y3010-L3105 HydrophobicContact CG-CD2 3.85Å; Y3010-L3105 WeakPolarHBondContact O-CD2 3.26Å; I3013-L3105 HydrophobicContact CB-CD2 4.18Å; I3013-L3105 HydrophobicContact CG2-CD1 4.14Å; I3013-L3105 HydrophobicContact CG2-CD2 4.19Å; I3013-L3105 HydrophobicContact CG2-CG 4.18Å; Y3014-L3105 HydrophobicContact CD2-CD1 4.26Å; C3101-L3105 WeakPolarHBondContact O-CB 3.38Å; C3101-L3105 VanDerWaalsContact O-CG 3.3Å; C3101-L3105 WeakPolarHBondContact O-CG 3.29Å; C3101-L3105 PolarHBondContact O-N 3.12Å; K3102-L3105 PolarHBondContact O-N 3.17Å; L3105-K3107 VanDerWaalsContact C-N 3.28Å; L3105-K3107 PolarHBondContact O-N 3.1Å; L3105-Y3108 PolarHBondContact O-N 3.15Å; L3105-Y3108 VanDerWaalsContact O-N 3.09Å; L3105-E3109 WeakPolarHBondContact O-CB 3.28Å; L3105-E3109 PolarHBondContact O-N 3.07Å |
| 3106 | Q | 73.1 | Confident | 71.8 | Confident | 137.6 Ų | 137.6 | 47 Ų | 47 | 64% | 0.643 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -60.2 | -34.5 | 176.9 | -76.9 | 178.3 | -15.8 | 0 | 0 | 113.4 | K3102 I3103 L3104 Y3108 P3110 | K3102-Q3106 WeakPolarHBondContact O-CB 3.33Å; K3102-Q3106 WeakPolarHBondContact O-CG 3.29Å; K3102-Q3106 PolarHBondContact O-N 3.1Å; I3103-Q3106 PolarHBondContact O-N 3.32Å; L3104-Q3106 PolarHBondContact O-N 3Å; Q3106-Y3108 VanDerWaalsContact C-N 3.3Å; Q3106-Y3108 PolarHBondContact O-N 3.3Å; Q3106-P3110 VanDerWaalsContact O-CD 3.27Å; Q3106-P3110 WeakPolarHBondContact O-CD 3.32Å |
| 3107 | K | 72 | Confident | 71 | Confident | 123.4 Ų | 123.4 | 46.7 Ų | 46.7 | 54% | 0.537 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -71.9 | -29.4 | 174.4 | -74.8 | 177.1 | 179.2 | 177.8 | 0 | 112.7 | I3103 L3104 L3105 | I3103-K3107 HydrophobicContact CG2-CD 4.39Å; I3103-K3107 WeakPolarHBondContact O-CG 3.24Å; I3103-K3107 PolarHBondContact O-N 3.06Å; I3103-K3107 VanDerWaalsContact O-N 3.09Å; L3104-K3107 PolarHBondContact O-N 3.22Å; L3104-K3107 VanDerWaalsContact O-N 3.12Å; L3105-K3107 VanDerWaalsContact C-N 3.28Å; L3105-K3107 PolarHBondContact O-N 3.1Å |
| 3108 | Y | 70.9 | Confident | 70.4 | Confident | 9.4 Ų | 9.4 | 51.6 Ų | 51.6 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -94.4 | -28.5 | -173 | -141.2 | -91.1 | 0 | 0 | 0 | 113.8 | D3006 L3038 S3041 T3042 L3104 L3105 Q3106 P3110 K3111 I3112 | D3006-Y3108 HydrophobicContact CB-CE1 4.32Å; D3006-Y3108 PolarHBondContact OD2-OH 2.85Å; L3038-Y3108 HydrophobicContact CD2-CD1 3.53Å; L3038-Y3108 VanDerWaalsContact CD2-CD1 3.45Å; L3038-Y3108 HydrophobicContact CD2-CD2 4.1Å; L3038-Y3108 HydrophobicContact CD2-CE1 3.67Å; L3038-Y3108 HydrophobicContact CD2-CE2 4.2Å; L3038-Y3108 HydrophobicContact CD2-CG 3.82Å; S3041-Y3108 VanDerWaalsContact CB-OH 3.23Å; S3041-Y3108 WeakPolarHBondContact CB-OH 3.4Å; S3041-Y3108 VanDerWaalsContact OG-CE2 3.24Å; S3041-Y3108 WeakPolarHBondContact OG-CE2 3.37Å; S3041-Y3108 PolarHBondContact OG-OH 2.93Å; T3042-Y3108 HydrophobicContact CG2-CD2 3.66Å; T3042-Y3108 VanDerWaalsContact CG2-CD2 3.44Å; T3042-Y3108 HydrophobicContact CG2-CE2 3.64Å; T3042-Y3108 VanDerWaalsContact CG2-CE2 3.48Å; L3104-Y3108 WeakPolarHBondContact O-CB 3.3Å; L3104-Y3108 PolarHBondContact O-N 3.14Å; L3104-Y3108 VanDerWaalsContact O-N 3.11Å; L3105-Y3108 PolarHBondContact O-N 3.15Å; L3105-Y3108 VanDerWaalsContact O-N 3.09Å; Q3106-Y3108 VanDerWaalsContact C-N 3.3Å; Q3106-Y3108 PolarHBondContact O-N 3.3Å; Y3108-P3110 VanDerWaalsContact C-CD 3.46Å; Y3108-P3110 VanDerWaalsContact C-N 3.34Å; Y3108-K3111 HydrophobicContact CD1-CB 4.45Å; Y3108-K3111 HydrophobicContact CD2-CD 4.25Å; Y3108-K3111 HydrophobicContact CE1-CB 4.49Å; Y3108-K3111 HydrophobicContact CE2-CD 4.16Å; Y3108-K3111 WeakPolarHBondContact O-CA 3.32Å; Y3108-K3111 WeakPolarHBondContact O-CB 3.37Å; Y3108-K3111 PolarHBondContact O-N 3.17Å; Y3108-K3111 VanDerWaalsContact O-N 3.08Å; Y3108-I3112 HydrophobicContact CD1-CD1 3.74Å; Y3108-I3112 HydrophobicContact CD1-CG1 3.82Å; Y3108-I3112 HydrophobicContact CE1-CD1 4.13Å; Y3108-I3112 HydrophobicContact CE1-CG1 3.95Å; Y3108-I3112 PolarHBondContact O-N 3Å; Y3108-I3112 VanDerWaalsContact O-N 3.13Å |
| 3109 | E | 66.7 | Low | 69.5 | Low | 38.8 Ų | 38.8 | 52.1 Ų | 52.1 | 18% | 0.181 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -49.5 | -47.6 | 177.5 | -178.8 | 169.3 | -166.2 | 0 | 0 | 114 | Y3010 L3105 K3111 I3112 Q3113 L3157 A3158 | Y3010-E3109 HydrophobicContact CE2-CB 3.94Å; Y3010-E3109 HydrophobicContact CE2-CG 4.33Å; Y3010-E3109 PolarHBondContact OH-OE2 3.26Å; Y3010-E3109 VanDerWaalsContact OH-OE2 3.13Å; L3105-E3109 WeakPolarHBondContact O-CB 3.28Å; L3105-E3109 PolarHBondContact O-N 3.07Å; E3109-K3111 VanDerWaalsContact C-N 3.31Å; E3109-K3111 PolarHBondContact O-N 3.06Å; E3109-I3112 PolarHBondContact O-N 3.17Å; E3109-Q3113 HydrophobicContact CG-CG 4.37Å; E3109-Q3113 VanDerWaalsContact CG-NE2 3.33Å; E3109-Q3113 WeakPolarHBondContact O-CB 3.43Å; E3109-Q3113 VanDerWaalsContact O-CG 3.29Å; E3109-Q3113 WeakPolarHBondContact O-CG 3.38Å; E3109-Q3113 PolarHBondContact O-N 3.07Å; E3109-Q3113 PolarHBondContact OE1-NE2 3.08Å; E3109-Q3113 VanDerWaalsContact OE1-NE2 3.17Å; E3109-L3157 HydrophobicContact CG-CD2 3.92Å; E3109-L3157 WeakPolarHBondContact OE1-CA 3.11Å; E3109-L3157 WeakPolarHBondContact OE1-CD2 3.49Å; E3109-A3158 PolarHBondContact OE1-N 2.86Å |
| 3110 | P | 64.9 | Low | 68.5 | Low | 74 Ų | 74 | 45.8 Ų | 45.8 | 48% | 0.481 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.3 | -30.3 | 177.8 | 6.1 | -7.6 | 0 | 0 | 0 | 113.6 | Q3106 Y3108 Q3113 S3114 | Q3106-P3110 VanDerWaalsContact O-CD 3.27Å; Q3106-P3110 WeakPolarHBondContact O-CD 3.32Å; Y3108-P3110 VanDerWaalsContact C-CD 3.46Å; Y3108-P3110 VanDerWaalsContact C-N 3.34Å; P3110-Q3113 PolarHBondContact O-N 3.47Å; P3110-S3114 VanDerWaalsContact O-CB 3.26Å; P3110-S3114 WeakPolarHBondContact O-CB 3.28Å; P3110-S3114 PolarHBondContact O-N 3.02Å; P3110-S3114 PolarHBondContact O-OG 3.25Å |
| 3111 | K | 67.8 | Low | 67.7 | Low | 97 Ų | 97 | 50.6 Ų | 50.6 | 42% | 0.422 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.6 | -46.9 | 174.7 | -71.2 | -175.5 | 175.2 | -175.6 | 0 | 110.6 | S3041 Y3108 E3109 Q3113 S3114 L3115 | S3041-K3111 PolarHBondContact O-NZ 3.02Å; Y3108-K3111 HydrophobicContact CD1-CB 4.45Å; Y3108-K3111 HydrophobicContact CD2-CD 4.25Å; Y3108-K3111 HydrophobicContact CE1-CB 4.49Å; Y3108-K3111 HydrophobicContact CE2-CD 4.16Å; Y3108-K3111 WeakPolarHBondContact O-CA 3.32Å; Y3108-K3111 WeakPolarHBondContact O-CB 3.37Å; Y3108-K3111 PolarHBondContact O-N 3.17Å; Y3108-K3111 VanDerWaalsContact O-N 3.08Å; E3109-K3111 VanDerWaalsContact C-N 3.31Å; E3109-K3111 PolarHBondContact O-N 3.06Å; K3111-Q3113 VanDerWaalsContact C-N 3.34Å; K3111-S3114 CarbonylContact O-C 3.58Å; K3111-S3114 PolarHBondContact O-N 3.29Å; K3111-S3114 PolarHBondContact O-OG 3.06Å; K3111-S3114 VanDerWaalsContact O-OG 3.06Å; K3111-L3115 WeakPolarHBondContact O-CB 3.32Å; K3111-L3115 VanDerWaalsContact O-CG 3.31Å; K3111-L3115 WeakPolarHBondContact O-CG 3.35Å; K3111-L3115 PolarHBondContact O-N 3.28Å; K3111-L3115 VanDerWaalsContact O-N 3.07Å |
| 3112 | I | 63.5 | Low | 66.9 | Low | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 176.3 | -72.6 | 173.3 | 0 | 0 | 0 | 110.4 | D3006 L3007 Y3010 Y3108 E3109 S3114 L3115 I3116 L3157 | D3006-I3112 HydrophobicContact CB-CD1 4.4Å; D3006-I3112 HydrophobicContact CB-CG1 4.36Å; L3007-I3112 HydrophobicContact CB-CG2 4.22Å; L3007-I3112 HydrophobicContact CD1-CG2 3.72Å; L3007-I3112 HydrophobicContact CD2-CB 4.1Å; L3007-I3112 HydrophobicContact CD2-CD1 4.24Å; L3007-I3112 HydrophobicContact CD2-CG1 3.91Å; L3007-I3112 HydrophobicContact CD2-CG2 3.39Å; L3007-I3112 VanDerWaalsContact CD2-CG2 3.49Å; L3007-I3112 HydrophobicContact CG-CD1 4.5Å; L3007-I3112 HydrophobicContact CG-CG2 4.1Å; Y3010-I3112 VanDerWaalsContact CB-CD1 3.45Å; Y3010-I3112 HydrophobicContact CD1-CD1 4.09Å; Y3010-I3112 HydrophobicContact CD2-CD1 3.65Å; Y3010-I3112 HydrophobicContact CE2-CD1 3.96Å; Y3010-I3112 HydrophobicContact CG-CD1 3.66Å; Y3108-I3112 HydrophobicContact CD1-CD1 3.74Å; Y3108-I3112 HydrophobicContact CD1-CG1 3.82Å; Y3108-I3112 HydrophobicContact CE1-CD1 4.13Å; Y3108-I3112 HydrophobicContact CE1-CG1 3.95Å; Y3108-I3112 PolarHBondContact O-N 3Å; Y3108-I3112 VanDerWaalsContact O-N 3.13Å; E3109-I3112 PolarHBondContact O-N 3.17Å; I3112-S3114 VanDerWaalsContact C-N 3.29Å; I3112-S3114 PolarHBondContact O-N 3.07Å; I3112-L3115 PolarHBondContact O-N 3.25Å; I3112-L3115 VanDerWaalsContact O-N 3.09Å; I3112-I3116 HydrophobicContact CG2-CD1 3.62Å; I3112-I3116 HydrophobicContact CG2-CG1 4.44Å; I3112-I3116 VanDerWaalsContact O-CD1 3.25Å; I3112-I3116 WeakPolarHBondContact O-CD1 3.38Å; I3112-I3116 VanDerWaalsContact O-CG1 3.26Å; I3112-I3116 WeakPolarHBondContact O-CG1 3.35Å; I3112-I3116 PolarHBondContact O-N 2.99Å; I3112-I3116 VanDerWaalsContact O-N 3.09Å; I3112-L3157 HydrophobicContact CG2-CD1 4.42Å; I3112-L3157 HydrophobicContact CG2-CD2 4.25Å |
| 3113 | Q | 62.8 | Low | 65.8 | Low | 37.2 Ų | 37.2 | 50.1 Ų | 50.1 | 17% | 0.174 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.3 | -44.3 | 176.5 | -72.3 | -178.3 | 10.4 | 0 | 0 | 111.3 | E3109 P3110 K3111 I3116 L3117 L3157 A3158 I3159 N3161 | E3109-Q3113 HydrophobicContact CG-CG 4.37Å; E3109-Q3113 VanDerWaalsContact CG-NE2 3.33Å; E3109-Q3113 WeakPolarHBondContact O-CB 3.43Å; E3109-Q3113 VanDerWaalsContact O-CG 3.29Å; E3109-Q3113 WeakPolarHBondContact O-CG 3.38Å; E3109-Q3113 PolarHBondContact O-N 3.07Å; E3109-Q3113 PolarHBondContact OE1-NE2 3.08Å; E3109-Q3113 VanDerWaalsContact OE1-NE2 3.17Å; P3110-Q3113 PolarHBondContact O-N 3.47Å; K3111-Q3113 VanDerWaalsContact C-N 3.34Å; Q3113-I3116 PolarHBondContact O-N 3.13Å; Q3113-L3117 VanDerWaalsContact O-CB 3.24Å; Q3113-L3117 WeakPolarHBondContact O-CB 3.39Å; Q3113-L3117 PolarHBondContact O-N 3.18Å; Q3113-L3117 VanDerWaalsContact O-N 3.07Å; Q3113-L3157 HydrophobicContact CG-CD1 4.47Å; Q3113-L3157 HydrophobicContact CG-CD2 4.16Å; Q3113-A3158 PolarHBondContact NE2-O 2.71Å; Q3113-I3159 HydrophobicContact CG-CD1 4.16Å; Q3113-N3161 PolarHBondContact OE1-ND2 3.22Å |
| 3114 | S | 65.6 | Low | 64.8 | Low | 54.8 Ų | 54.8 | 49.5 Ų | 49.5 | 38% | 0.383 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66 | -39.4 | 178.9 | 114.6 | 0 | 0 | 0 | 0 | 113.5 | P3110 K3111 I3112 L3117 Q3118 | P3110-S3114 VanDerWaalsContact O-CB 3.26Å; P3110-S3114 WeakPolarHBondContact O-CB 3.28Å; P3110-S3114 PolarHBondContact O-N 3.02Å; P3110-S3114 PolarHBondContact O-OG 3.25Å; K3111-S3114 CarbonylContact O-C 3.58Å; K3111-S3114 PolarHBondContact O-N 3.29Å; K3111-S3114 PolarHBondContact O-OG 3.06Å; K3111-S3114 VanDerWaalsContact O-OG 3.06Å; I3112-S3114 VanDerWaalsContact C-N 3.29Å; I3112-S3114 PolarHBondContact O-N 3.07Å; S3114-L3117 WeakPolarHBondContact O-CB 3.42Å; S3114-L3117 PolarHBondContact O-N 3.06Å; S3114-Q3118 WeakPolarHBondContact O-CB 3.45Å; S3114-Q3118 VanDerWaalsContact O-CG 3.3Å; S3114-Q3118 WeakPolarHBondContact O-CG 3.36Å; S3114-Q3118 PolarHBondContact O-N 3.21Å |
| 3115 | L | 62.4 | Low | 63.9 | Low | 62.2 Ų | 62.2 | 54.6 Ų | 54.6 | 33% | 0.326 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.6 | -47.1 | 177.1 | -75.7 | 166.8 | 0 | 0 | 0 | 111.2 | K3111 I3112 L3117 Q3118 E3119 | K3111-L3115 WeakPolarHBondContact O-CB 3.32Å; K3111-L3115 VanDerWaalsContact O-CG 3.31Å; K3111-L3115 WeakPolarHBondContact O-CG 3.35Å; K3111-L3115 PolarHBondContact O-N 3.28Å; K3111-L3115 VanDerWaalsContact O-N 3.07Å; I3112-L3115 PolarHBondContact O-N 3.25Å; I3112-L3115 VanDerWaalsContact O-N 3.09Å; L3115-L3117 VanDerWaalsContact C-N 3.29Å; L3115-L3117 PolarHBondContact O-N 3.09Å; L3115-Q3118 WeakPolarHBondContact O-CB 3.37Å; L3115-Q3118 PolarHBondContact O-N 3.08Å; L3115-E3119 PolarHBondContact O-N 3.28Å; L3115-E3119 VanDerWaalsContact O-N 3.1Å |
| 3116 | I | 60.4 | Low | 62.9 | Low | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 176.3 | -57.7 | 156.9 | 0 | 0 | 0 | 110.3 | L3007 I3112 Q3113 Q3118 E3119 I3120 L3149 C3153 L3157 F3164 | L3007-I3116 HydrophobicContact CD1-CD1 3.88Å; L3007-I3116 HydrophobicContact CD1-CG1 4.28Å; L3007-I3116 HydrophobicContact CD2-CD1 4.29Å; L3007-I3116 HydrophobicContact CG-CD1 4.46Å; I3112-I3116 HydrophobicContact CG2-CD1 3.62Å; I3112-I3116 HydrophobicContact CG2-CG1 4.44Å; I3112-I3116 VanDerWaalsContact O-CD1 3.25Å; I3112-I3116 WeakPolarHBondContact O-CD1 3.38Å; I3112-I3116 VanDerWaalsContact O-CG1 3.26Å; I3112-I3116 WeakPolarHBondContact O-CG1 3.35Å; I3112-I3116 PolarHBondContact O-N 2.99Å; I3112-I3116 VanDerWaalsContact O-N 3.09Å; Q3113-I3116 PolarHBondContact O-N 3.13Å; I3116-Q3118 VanDerWaalsContact C-N 3.3Å; I3116-Q3118 PolarHBondContact O-N 3.28Å; I3116-E3119 PolarHBondContact O-N 3.05Å; I3116-I3120 HydrophobicContact CG2-CD1 3.81Å; I3116-I3120 HydrophobicContact CG2-CG1 4.31Å; I3116-I3120 WeakPolarHBondContact O-CB 3.29Å; I3116-I3120 VanDerWaalsContact O-CG1 3.25Å; I3116-I3120 WeakPolarHBondContact O-CG1 3.39Å; I3116-I3120 PolarHBondContact O-N 3.18Å; I3116-L3149 HydrophobicContact CB-CD2 4.46Å; I3116-L3149 HydrophobicContact CG1-CB 4.44Å; I3116-L3149 HydrophobicContact CG1-CD2 3.98Å; I3116-L3149 HydrophobicContact CG2-CD2 4.09Å; I3116-C3153 HydrophobicContact CD1-CB 3.71Å; I3116-C3153 VanDerWaalsContact CD1-CB 3.48Å; I3116-C3153 WeakPolarHBondContact CD1-SG 3.45Å; I3116-C3153 HydrophobicContact CG2-CB 4.41Å; I3116-L3157 HydrophobicContact CD1-CD1 4.03Å; I3116-L3157 HydrophobicContact CD1-CD2 4.33Å; I3116-L3157 HydrophobicContact CD1-CG 4.47Å; I3116-F3164 HydrophobicContact CB-CE2 3.99Å; I3116-F3164 HydrophobicContact CB-CZ 4.2Å; I3116-F3164 HydrophobicContact CD1-CE2 4.36Å; I3116-F3164 HydrophobicContact CD1-CZ 4.12Å; I3116-F3164 HydrophobicContact CG2-CE2 3.75Å; I3116-F3164 VanDerWaalsContact CG2-CE2 3.45Å; I3116-F3164 HydrophobicContact CG2-CZ 3.88Å; I3116-F3164 VanDerWaalsContact CG2-CZ 3.49Å |
| 3117 | L | 62.3 | Low | 61.9 | Low | 28.8 Ų | 28.8 | 52.1 Ų | 52.1 | 15% | 0.151 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.6 | -36.1 | 177.4 | -145.7 | 132.1 | 0 | 0 | 0 | 111.8 | Q3113 S3114 L3115 I3120 K3121 E3163 F3164 M3167 | Q3113-L3117 VanDerWaalsContact O-CB 3.24Å; Q3113-L3117 WeakPolarHBondContact O-CB 3.39Å; Q3113-L3117 PolarHBondContact O-N 3.18Å; Q3113-L3117 VanDerWaalsContact O-N 3.07Å; S3114-L3117 WeakPolarHBondContact O-CB 3.42Å; S3114-L3117 PolarHBondContact O-N 3.06Å; L3115-L3117 VanDerWaalsContact C-N 3.29Å; L3115-L3117 PolarHBondContact O-N 3.09Å; L3117-I3120 PolarHBondContact O-N 3.48Å; L3117-K3121 HydrophobicContact CD2-CD 4Å; L3117-K3121 HydrophobicContact CD2-CG 4.28Å; L3117-K3121 VanDerWaalsContact CD2-NZ 3.31Å; L3117-K3121 VanDerWaalsContact O-CB 3.3Å; L3117-K3121 WeakPolarHBondContact O-CB 3.23Å; L3117-K3121 WeakPolarHBondContact O-CD 3.43Å; L3117-K3121 VanDerWaalsContact O-CG 3.28Å; L3117-K3121 WeakPolarHBondContact O-CG 3.36Å; L3117-K3121 PolarHBondContact O-N 3.16Å; L3117-E3163 HydrophobicContact CD1-CG 4.38Å; L3117-E3163 HydrophobicContact CD2-CG 4.43Å; L3117-F3164 HydrophobicContact CB-CE2 4.47Å; L3117-F3164 HydrophobicContact CD1-CB 4.23Å; L3117-F3164 HydrophobicContact CD1-CD2 4.11Å; L3117-F3164 HydrophobicContact CG-CD2 4.13Å; L3117-F3164 HydrophobicContact CG-CE2 4.48Å; L3117-M3167 HydrophobicContact CB-CE 4.27Å; L3117-M3167 HydrophobicContact CD1-CE 3.72Å; L3117-M3167 HydrophobicContact CD1-SD 4.36Å; L3117-M3167 HydrophobicContact CD2-CE 4.05Å; L3117-M3167 HydrophobicContact CD2-CG 4.18Å; L3117-M3167 HydrophobicContact CD2-SD 3.93Å; L3117-M3167 HydrophobicContact CG-CE 3.63Å; L3117-M3167 HydrophobicContact CG-SD 4Å; L3117-M3167 WeakPolarHBondContact O-CE 3.47Å |
| 3118 | Q | 66.2 | Low | 60.9 | Low | 107.2 Ų | 107.2 | 51.5 Ų | 51.5 | 50% | 0.501 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.9 | -45.1 | 173.9 | -78.8 | 179 | -6.1 | 0 | 0 | 112 | S3114 L3115 I3116 I3120 K3121 K3122 | S3114-Q3118 WeakPolarHBondContact O-CB 3.45Å; S3114-Q3118 VanDerWaalsContact O-CG 3.3Å; S3114-Q3118 WeakPolarHBondContact O-CG 3.36Å; S3114-Q3118 PolarHBondContact O-N 3.21Å; L3115-Q3118 WeakPolarHBondContact O-CB 3.37Å; L3115-Q3118 PolarHBondContact O-N 3.08Å; I3116-Q3118 VanDerWaalsContact C-N 3.3Å; I3116-Q3118 PolarHBondContact O-N 3.28Å; Q3118-I3120 VanDerWaalsContact C-N 3.34Å; Q3118-I3120 PolarHBondContact O-N 3.03Å; Q3118-K3121 CarbonylContact O-C 3.55Å; Q3118-K3121 WeakPolarHBondContact O-CA 3.34Å; Q3118-K3121 WeakPolarHBondContact O-CB 3.4Å; Q3118-K3121 PolarHBondContact O-N 3.27Å; Q3118-K3121 VanDerWaalsContact O-N 3.12Å; Q3118-K3122 WeakPolarHBondContact O-CB 3.35Å; Q3118-K3122 WeakPolarHBondContact O-CG 3.25Å; Q3118-K3122 PolarHBondContact O-N 3.19Å |
| 3119 | E | 59.2 | Low | 59.9 | Low | 23.2 Ų | 23.2 | 56.8 Ų | 56.8 | 11% | 0.108 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 176.2 | -70.9 | -53.9 | 123.2 | 0 | 0 | 112.1 | L3115 I3116 K3121 K3122 A3123 L3149 | L3115-E3119 PolarHBondContact O-N 3.28Å; L3115-E3119 VanDerWaalsContact O-N 3.1Å; I3116-E3119 PolarHBondContact O-N 3.05Å; E3119-K3121 VanDerWaalsContact C-N 3.32Å; E3119-K3121 PolarHBondContact O-N 3.1Å; E3119-K3122 PolarHBondContact O-N 3.35Å; E3119-K3122 WeakPolarHBondContact OE1-CD 3.34Å; E3119-K3122 WeakPolarHBondContact OE1-CE 3.33Å; E3119-K3122 IonicContact OE1-NZ 3.32Å; E3119-K3122 PolarHBondContact OE1-NZ 3.32Å; E3119-K3122 IonicContact OE2-NZ 3.12Å; E3119-A3123 WeakPolarHBondContact O-CB 3.36Å; E3119-A3123 PolarHBondContact O-N 3.28Å; E3119-L3149 HydrophobicContact CB-CD1 3.95Å; E3119-L3149 HydrophobicContact CG-CD1 3.98Å |
| 3120 | I | 58.5 | Low | 58.8 | Low | 2.6 Ų | 2.6 | 56.2 Ų | 56.2 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.8 | -40 | 172 | -71.4 | 172.7 | 0 | 0 | 0 | 111.3 | I3116 L3117 Q3118 K3122 A3123 L3124 V3146 F3164 M3167 L3168 L3171 | I3116-I3120 HydrophobicContact CG2-CD1 3.81Å; I3116-I3120 HydrophobicContact CG2-CG1 4.31Å; I3116-I3120 WeakPolarHBondContact O-CB 3.29Å; I3116-I3120 VanDerWaalsContact O-CG1 3.25Å; I3116-I3120 WeakPolarHBondContact O-CG1 3.39Å; I3116-I3120 PolarHBondContact O-N 3.18Å; L3117-I3120 PolarHBondContact O-N 3.48Å; Q3118-I3120 VanDerWaalsContact C-N 3.34Å; Q3118-I3120 PolarHBondContact O-N 3.03Å; I3120-K3122 VanDerWaalsContact C-N 3.34Å; I3120-K3122 PolarHBondContact O-N 2.94Å; I3120-A3123 CarbonylContact O-C 3.59Å; I3120-A3123 WeakPolarHBondContact O-CA 3.38Å; I3120-A3123 VanDerWaalsContact O-CB 3.27Å; I3120-A3123 WeakPolarHBondContact O-CB 3.4Å; I3120-A3123 PolarHBondContact O-N 3.12Å; I3120-A3123 VanDerWaalsContact O-N 3.12Å; I3120-L3124 HydrophobicContact CG2-CD1 4.14Å; I3120-L3124 HydrophobicContact CG2-CG 4.28Å; I3120-L3124 VanDerWaalsContact O-CG 3.23Å; I3120-L3124 WeakPolarHBondContact O-CG 3.32Å; I3120-L3124 PolarHBondContact O-N 3.19Å; I3120-V3146 HydrophobicContact CG1-CG1 4.36Å; I3120-F3164 HydrophobicContact CD1-CD2 4.42Å; I3120-F3164 HydrophobicContact CD1-CE2 3.93Å; I3120-F3164 HydrophobicContact CD1-CZ 3.85Å; I3120-M3167 HydrophobicContact CB-CE 3.9Å; I3120-M3167 HydrophobicContact CD1-CE 4.33Å; I3120-M3167 HydrophobicContact CG2-CB 4.02Å; I3120-M3167 HydrophobicContact CG2-CE 3.87Å; I3120-M3167 VanDerWaalsContact CG2-CE 3.46Å; I3120-M3167 HydrophobicContact CG2-CG 4.05Å; I3120-M3167 HydrophobicContact CG2-SD 4Å; I3120-L3168 HydrophobicContact CD1-CD2 3.91Å; I3120-L3168 HydrophobicContact CD1-CG 4.33Å; I3120-L3171 HydrophobicContact CB-CD1 4.15Å; I3120-L3171 HydrophobicContact CD1-CD1 4.34Å; I3120-L3171 HydrophobicContact CG1-CD1 3.75Å; I3120-L3171 HydrophobicContact CG2-CD1 3.53Å; I3120-L3171 VanDerWaalsContact CG2-CD1 3.49Å; I3120-L3171 HydrophobicContact CG2-CG 4.17Å |
| 3121 | K | 61.3 | Low | 57.7 | Low | 102.2 Ų | 102.2 | 60.1 Ų | 60.1 | 44% | 0.444 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 176.4 | -80.4 | 173.9 | 177.4 | 173.8 | 0 | 112.2 | L3117 Q3118 E3119 A3123 L3124 H3125 E3163 M3167 | L3117-K3121 HydrophobicContact CD2-CD 4Å; L3117-K3121 HydrophobicContact CD2-CG 4.28Å; L3117-K3121 VanDerWaalsContact CD2-NZ 3.31Å; L3117-K3121 VanDerWaalsContact O-CB 3.3Å; L3117-K3121 WeakPolarHBondContact O-CB 3.23Å; L3117-K3121 WeakPolarHBondContact O-CD 3.43Å; L3117-K3121 VanDerWaalsContact O-CG 3.28Å; L3117-K3121 WeakPolarHBondContact O-CG 3.36Å; L3117-K3121 PolarHBondContact O-N 3.16Å; Q3118-K3121 CarbonylContact O-C 3.55Å; Q3118-K3121 WeakPolarHBondContact O-CA 3.34Å; Q3118-K3121 WeakPolarHBondContact O-CB 3.4Å; Q3118-K3121 PolarHBondContact O-N 3.27Å; Q3118-K3121 VanDerWaalsContact O-N 3.12Å; E3119-K3121 VanDerWaalsContact C-N 3.32Å; E3119-K3121 PolarHBondContact O-N 3.1Å; K3121-A3123 VanDerWaalsContact C-N 3.31Å; K3121-A3123 PolarHBondContact O-N 3.25Å; K3121-L3124 PolarHBondContact O-N 2.99Å; K3121-H3125 WeakPolarHBondContact O-CB 3.26Å; K3121-H3125 PolarHBondContact O-N 3.18Å; K3121-H3125 VanDerWaalsContact O-N 3.1Å; K3121-E3163 VanDerWaalsContact CE-OE1 3.28Å; K3121-E3163 WeakPolarHBondContact CE-OE1 3.48Å; K3121-E3163 IonicContact NZ-OE1 3.45Å; K3121-E3163 PolarHBondContact NZ-OE1 3.26Å; K3121-M3167 HydrophobicContact CD-CE 4.38Å; K3121-M3167 HydrophobicContact CD-SD 4.22Å; K3121-M3167 WeakPolarHBondContact CE-SD 3.22Å; K3121-M3167 HydrophobicContact CG-CE 3.77Å; K3121-M3167 HydrophobicContact CG-SD 3.73Å; K3121-M3167 WeakPolarHBondContact CG-SD 3.4Å |
| 3122 | K | 60.6 | Low | 56.4 | Low | 90.2 Ų | 90.2 | 63.2 Ų | 63.2 | 39% | 0.392 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.1 | -43.6 | 170.7 | -71.9 | 176.5 | -176.2 | 171.4 | 0 | 110.3 | E2999 Q3118 E3119 I3120 L3124 H3125 L3126 F3142 | E2999-K3122 IonicContact OE2-NZ 2.93Å; E2999-K3122 PolarHBondContact OE2-NZ 2.83Å; Q3118-K3122 WeakPolarHBondContact O-CB 3.35Å; Q3118-K3122 WeakPolarHBondContact O-CG 3.25Å; Q3118-K3122 PolarHBondContact O-N 3.19Å; E3119-K3122 PolarHBondContact O-N 3.35Å; E3119-K3122 WeakPolarHBondContact OE1-CD 3.34Å; E3119-K3122 WeakPolarHBondContact OE1-CE 3.33Å; E3119-K3122 IonicContact OE1-NZ 3.32Å; E3119-K3122 PolarHBondContact OE1-NZ 3.32Å; E3119-K3122 IonicContact OE2-NZ 3.12Å; I3120-K3122 VanDerWaalsContact C-N 3.34Å; I3120-K3122 PolarHBondContact O-N 2.94Å; K3122-L3124 PolarHBondContact O-N 3.27Å; K3122-H3125 PolarHBondContact O-N 3.14Å; K3122-L3126 WeakPolarHBondContact O-CB 3.48Å; K3122-L3126 WeakPolarHBondContact O-CG 3.08Å; K3122-L3126 PolarHBondContact O-N 3.21Å; K3122-L3126 VanDerWaalsContact O-N 3.1Å; K3122-F3142 HydrophobicContact CB-CE2 4.15Å; K3122-F3142 HydrophobicContact CB-CZ 4.01Å |
| 3123 | A | 55.5 | Low | 55.3 | Low | 0.2 Ų | 0.2 | 71.4 Ų | 71.4 | 0% | 0.002 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.1 | -50.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E3119 I3120 K3121 H3125 L3126 V3127 F3142 V3146 L3171 | E3119-A3123 WeakPolarHBondContact O-CB 3.36Å; E3119-A3123 PolarHBondContact O-N 3.28Å; I3120-A3123 CarbonylContact O-C 3.59Å; I3120-A3123 WeakPolarHBondContact O-CA 3.38Å; I3120-A3123 VanDerWaalsContact O-CB 3.27Å; I3120-A3123 WeakPolarHBondContact O-CB 3.4Å; I3120-A3123 PolarHBondContact O-N 3.12Å; I3120-A3123 VanDerWaalsContact O-N 3.12Å; K3121-A3123 VanDerWaalsContact C-N 3.31Å; K3121-A3123 PolarHBondContact O-N 3.25Å; A3123-H3125 VanDerWaalsContact C-N 3.27Å; A3123-H3125 PolarHBondContact O-N 2.99Å; A3123-L3126 PolarHBondContact O-N 3.19Å; A3123-V3127 WeakPolarHBondContact O-CB 3.28Å; A3123-V3127 VanDerWaalsContact O-CG2 3.28Å; A3123-V3127 WeakPolarHBondContact O-CG2 3.3Å; A3123-V3127 PolarHBondContact O-N 3.08Å; A3123-V3127 VanDerWaalsContact O-N 3.1Å; A3123-F3142 VanDerWaalsContact CA-CE1 3.47Å; A3123-F3142 VanDerWaalsContact CA-CZ 3.46Å; A3123-F3142 HydrophobicContact CB-CD1 4.44Å; A3123-F3142 HydrophobicContact CB-CE1 3.44Å; A3123-F3142 VanDerWaalsContact CB-CE1 3.44Å; A3123-F3142 HydrophobicContact CB-CZ 3.83Å; A3123-V3146 HydrophobicContact CB-CG2 4.01Å; A3123-L3171 HydrophobicContact CB-CD2 4.02Å |
| 3124 | L | 54.4 | Low | 54.1 | Low | 25.8 Ų | 25.8 | 75.8 Ų | 75.8 | 14% | 0.135 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.6 | -35.4 | 177.5 | -81.5 | 162 | 0 | 0 | 0 | 111.8 | I3120 K3121 K3122 N3128 M3167 N3170 L3171 I3174 | I3120-L3124 HydrophobicContact CG2-CD1 4.14Å; I3120-L3124 HydrophobicContact CG2-CG 4.28Å; I3120-L3124 VanDerWaalsContact O-CG 3.23Å; I3120-L3124 WeakPolarHBondContact O-CG 3.32Å; I3120-L3124 PolarHBondContact O-N 3.19Å; K3121-L3124 PolarHBondContact O-N 2.99Å; K3122-L3124 PolarHBondContact O-N 3.27Å; L3124-N3128 VanDerWaalsContact O-CB 3.28Å; L3124-N3128 WeakPolarHBondContact O-CB 3.29Å; L3124-N3128 VanDerWaalsContact O-CG 3.26Å; L3124-N3128 PolarHBondContact O-N 3Å; L3124-N3128 VanDerWaalsContact O-N 3.15Å; L3124-N3128 PolarHBondContact O-ND2 3.18Å; L3124-N3128 VanDerWaalsContact O-ND2 3.16Å; L3124-M3167 HydrophobicContact CD1-CB 4.25Å; L3124-M3167 HydrophobicContact CD1-CE 3.45Å; L3124-M3167 VanDerWaalsContact CD1-CE 3.45Å; L3124-M3167 HydrophobicContact CD1-CG 4.18Å; L3124-M3167 HydrophobicContact CD1-SD 3.74Å; L3124-N3170 HydrophobicContact CD1-CB 4.28Å; L3124-N3170 HydrophobicContact CD2-CB 4.1Å; L3124-L3171 HydrophobicContact CD1-CD1 4.17Å; L3124-L3171 HydrophobicContact CD1-CD2 4.4Å; L3124-L3171 HydrophobicContact CD1-CG 4.03Å; L3124-L3171 HydrophobicContact CD2-CD1 4.44Å; L3124-L3171 HydrophobicContact CD2-CD2 3.78Å; L3124-L3171 HydrophobicContact CD2-CG 3.84Å; L3124-L3171 HydrophobicContact CG-CD1 3.96Å; L3124-L3171 HydrophobicContact CG-CD2 4.03Å; L3124-L3171 HydrophobicContact CG-CG 4.06Å; L3124-I3174 HydrophobicContact CD2-CD1 3.41Å; L3124-I3174 VanDerWaalsContact CD2-CD1 3.42Å; L3124-I3174 HydrophobicContact CG-CD1 3.71Å |
| 3125 | H | 59.1 | Low | 53.1 | Low | 117.8 Ų | 117.8 | 75.8 Ų | 75.8 | 55% | 0.545 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -72 | -40.2 | 179.9 | -154.7 | -40.8 | 0 | 0 | 0 | 112.7 | K3121 K3122 A3123 V3127 N3128 Q3129 | K3121-H3125 WeakPolarHBondContact O-CB 3.26Å; K3121-H3125 PolarHBondContact O-N 3.18Å; K3121-H3125 VanDerWaalsContact O-N 3.1Å; K3122-H3125 PolarHBondContact O-N 3.14Å; A3123-H3125 VanDerWaalsContact C-N 3.27Å; A3123-H3125 PolarHBondContact O-N 2.99Å; H3125-V3127 VanDerWaalsContact C-N 3.33Å; H3125-N3128 PolarHBondContact O-N 2.85Å; H3125-Q3129 VanDerWaalsContact CE1-CD 3.47Å; H3125-Q3129 PolarHBondContact CE1-NE2 3.27Å; H3125-Q3129 PolarHBondContact CE1-OE1 3.35Å; H3125-Q3129 PolarHBondContact ND1-NE2 3.31Å; H3125-Q3129 PolarHBondContact ND1-OE1 2.7Å; H3125-Q3129 WeakPolarHBondContact O-CG 3.36Å; H3125-Q3129 PolarHBondContact O-N 3.3Å |
| 3126 | L | 54.1 | Low | 52.1 | Low | 80.8 Ų | 80.8 | 79.8 Ų | 79.8 | 42% | 0.423 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 175.9 | -79.5 | 162.3 | 0 | 0 | 0 | 111.6 | K3122 A3123 N3128 Q3129 S3130 F3142 | K3122-L3126 WeakPolarHBondContact O-CB 3.48Å; K3122-L3126 WeakPolarHBondContact O-CG 3.08Å; K3122-L3126 PolarHBondContact O-N 3.21Å; K3122-L3126 VanDerWaalsContact O-N 3.1Å; A3123-L3126 PolarHBondContact O-N 3.19Å; L3126-N3128 VanDerWaalsContact C-N 3.32Å; L3126-N3128 PolarHBondContact O-N 3.02Å; L3126-Q3129 PolarHBondContact O-N 3.04Å; L3126-S3130 WeakPolarHBondContact O-CB 3.44Å; L3126-S3130 PolarHBondContact O-N 3.18Å; L3126-S3130 VanDerWaalsContact O-N 3.15Å; L3126-F3142 HydrophobicContact CB-CE1 4.4Å; L3126-F3142 HydrophobicContact CB-CZ 4.41Å; L3126-F3142 HydrophobicContact CD1-CD1 4.23Å; L3126-F3142 HydrophobicContact CD1-CD2 4.18Å; L3126-F3142 HydrophobicContact CD1-CE1 4.19Å; L3126-F3142 HydrophobicContact CD1-CE2 3.98Å; L3126-F3142 VanDerWaalsContact CD1-CE2 3.45Å; L3126-F3142 HydrophobicContact CD1-CG 4.18Å; L3126-F3142 HydrophobicContact CD1-CZ 3.97Å |
| 3127 | V | 51.1 | Low | 51.3 | Low | 11.8 Ų | 11.8 | 87.6 Ų | 87.6 | 7% | 0.072 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67.4 | -32 | -179.9 | -179.9 | 0 | 0 | 0 | 0 | 112.2 | A3123 H3125 Q3129 S3130 F3143 I3174 Y3175 H3176 L3177 | A3123-V3127 WeakPolarHBondContact O-CB 3.28Å; A3123-V3127 VanDerWaalsContact O-CG2 3.28Å; A3123-V3127 WeakPolarHBondContact O-CG2 3.3Å; A3123-V3127 PolarHBondContact O-N 3.08Å; A3123-V3127 VanDerWaalsContact O-N 3.1Å; H3125-V3127 VanDerWaalsContact C-N 3.33Å; V3127-Q3129 VanDerWaalsContact C-N 3.25Å; V3127-Q3129 PolarHBondContact O-N 3.11Å; V3127-Q3129 VanDerWaalsContact O-N 3.13Å; V3127-S3130 WeakPolarHBondContact CA-OG 3.48Å; V3127-S3130 WeakPolarHBondContact O-CB 3.49Å; V3127-S3130 PolarHBondContact O-N 3.14Å; V3127-S3130 VanDerWaalsContact O-N 3.12Å; V3127-S3130 PolarHBondContact O-OG 2.96Å; V3127-F3143 HydrophobicContact CG2-CE1 3.93Å; V3127-F3143 HydrophobicContact CG2-CZ 3.77Å; V3127-F3143 VanDerWaalsContact CG2-CZ 3.46Å; V3127-I3174 HydrophobicContact CB-CD1 4.41Å; V3127-I3174 HydrophobicContact CB-CG2 4.31Å; V3127-I3174 HydrophobicContact CG1-CB 4.46Å; V3127-I3174 HydrophobicContact CG1-CD1 4.47Å; V3127-I3174 HydrophobicContact CG1-CG2 3.58Å; V3127-Y3175 HydrophobicContact CG1-CD1 3.82Å; V3127-Y3175 HydrophobicContact CG1-CG 3.99Å; V3127-H3176 HydrophobicContact CG1-CB 3.82Å; V3127-L3177 HydrophobicContact CB-CD1 4.22Å; V3127-L3177 HydrophobicContact CB-CD2 4.5Å; V3127-L3177 HydrophobicContact CB-CG 4.01Å; V3127-L3177 HydrophobicContact CG1-CB 4.49Å; V3127-L3177 HydrophobicContact CG1-CD1 4.03Å; V3127-L3177 VanDerWaalsContact CG1-CD1 3.49Å; V3127-L3177 HydrophobicContact CG1-CD2 4.4Å; V3127-L3177 HydrophobicContact CG1-CG 4.09Å; V3127-L3177 VanDerWaalsContact CG1-CG 3.44Å; V3127-L3177 HydrophobicContact CG2-CD1 3.81Å; V3127-L3177 HydrophobicContact CG2-CD2 3.39Å; V3127-L3177 HydrophobicContact CG2-CG 4.03Å |
| 3128 | N | 51.2 | Low | 50.3 | Low | 111 Ų | 111 | 90.3 Ų | 90.3 | 59% | 0.594 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -12.5 | 174.7 | -74.2 | -24.3 | 0 | 0 | 0 | 113.6 | L3124 H3125 L3126 Y3175 | L3124-N3128 VanDerWaalsContact O-CB 3.28Å; L3124-N3128 WeakPolarHBondContact O-CB 3.29Å; L3124-N3128 VanDerWaalsContact O-CG 3.26Å; L3124-N3128 PolarHBondContact O-N 3Å; L3124-N3128 VanDerWaalsContact O-N 3.15Å; L3124-N3128 PolarHBondContact O-ND2 3.18Å; L3124-N3128 VanDerWaalsContact O-ND2 3.16Å; H3125-N3128 PolarHBondContact O-N 2.85Å; L3126-N3128 VanDerWaalsContact C-N 3.32Å; L3126-N3128 PolarHBondContact O-N 3.02Å; N3128-Y3175 WeakPolarHBondContact OD1-CE1 3.41Å; N3128-Y3175 WeakPolarHBondContact OD1-CE2 3.37Å; N3128-Y3175 PolarHBondContact OD1-OH 3.48Å; N3128-Y3175 VanDerWaalsContact OD1-OH 3.11Å |
| 3129 | Q | 50.5 | Low | 49.4 | Very low | 119.4 Ų | 119.4 | 87.6 Ų | 87.6 | 56% | 0.558 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -11.1 | 177.2 | -71.7 | -178.8 | -22.9 | 0 | 0 | 113.4 | H3125 L3126 V3127 N3131 | H3125-Q3129 VanDerWaalsContact CE1-CD 3.47Å; H3125-Q3129 PolarHBondContact CE1-NE2 3.27Å; H3125-Q3129 PolarHBondContact CE1-OE1 3.35Å; H3125-Q3129 PolarHBondContact ND1-NE2 3.31Å; H3125-Q3129 PolarHBondContact ND1-OE1 2.7Å; H3125-Q3129 WeakPolarHBondContact O-CG 3.36Å; H3125-Q3129 PolarHBondContact O-N 3.3Å; L3126-Q3129 PolarHBondContact O-N 3.04Å; V3127-Q3129 VanDerWaalsContact C-N 3.25Å; V3127-Q3129 PolarHBondContact O-N 3.11Å; V3127-Q3129 VanDerWaalsContact O-N 3.13Å; Q3129-N3131 VanDerWaalsContact C-N 3.3Å; Q3129-N3131 PolarHBondContact O-N 3.12Å |
| 3130 | S | 42.6 | Very low | 48.7 | Very low | 28 Ų | 28 | 88.7 Ų | 88.7 | 20% | 0.196 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 47.1 | -170.3 | 65.5 | 0 | 0 | 0 | 0 | 114.5 | L3126 V3127 E3132 | L3126-S3130 WeakPolarHBondContact O-CB 3.44Å; L3126-S3130 PolarHBondContact O-N 3.18Å; L3126-S3130 VanDerWaalsContact O-N 3.15Å; V3127-S3130 WeakPolarHBondContact CA-OG 3.48Å; V3127-S3130 WeakPolarHBondContact O-CB 3.49Å; V3127-S3130 PolarHBondContact O-N 3.14Å; V3127-S3130 VanDerWaalsContact O-N 3.12Å; V3127-S3130 PolarHBondContact O-OG 2.96Å; S3130-E3132 VanDerWaalsContact C-N 3.3Å; S3130-E3132 PolarHBondContact O-N 3.33Å |
| 3131 | N | 42.1 | Very low | 48.1 | Very low | 154.6 Ų | 154.6 | 91.4 Ų | 91.4 | 83% | 0.827 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -13.6 | 158.2 | -81.4 | -13.7 | 0 | 0 | 0 | 112 | Q3129 | Q3129-N3131 VanDerWaalsContact C-N 3.3Å; Q3129-N3131 PolarHBondContact O-N 3.12Å |
| 3132 | E | 40.2 | Very low | 47.6 | Very low | 162.2 Ų | 162.2 | 88.3 Ų | 88.3 | 76% | 0.758 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -123.1 | 9.8 | -173.8 | -67.5 | -173.3 | 151.7 | 0 | 0 | 114.6 | S3130 N3134 | S3130-E3132 VanDerWaalsContact C-N 3.3Å; S3130-E3132 PolarHBondContact O-N 3.33Å; E3132-N3134 PolarHBondContact O-N 3.28Å; E3132-N3134 PolarHBondContact O-ND2 2.67Å; E3132-N3134 PolarHBondContact O-OD1 2.96Å |
| 3133 | Y | 40.4 | Very low | 47.1 | Very low | 177.4 Ų | 177.4 | 85.3 Ų | 85.3 | 70% | 0.696 | 44% | 0.437 | S | S | * | . | trans | -86.7 | 88.6 | -178.8 | -94.9 | -87.5 | 0 | 0 | 0 | 112.8 | S3135 | Y3133-S3135 VanDerWaalsContact C-N 3.3Å; Y3133-S3135 PolarHBondContact O-N 3.31Å; Y3133-S3135 VanDerWaalsContact O-N 3.13Å | ||
| 3134 | N | 37.9 | Very low | 46.9 | Very low | 129.4 Ų | 129.4 | 88.8 Ų | 88.8 | 69% | 0.692 | 45% | 0.452 | S | S | * | . | trans | -84.7 | 66.9 | 175.4 | -69.6 | -35.6 | 0 | 0 | 0 | 112.1 | E3132 E3136 | E3132-N3134 PolarHBondContact O-N 3.28Å; E3132-N3134 PolarHBondContact O-ND2 2.67Å; E3132-N3134 PolarHBondContact O-OD1 2.96Å; N3134-E3136 PolarHBondContact O-N 3.27Å | ||
| 3135 | S | 44.4 | Very low | 46.7 | Very low | 53.8 Ų | 53.8 | 89 Ų | 89 | 38% | 0.376 | 45% | 0.453 | S | S | . | . | trans | -118.6 | 99.2 | 174.3 | 61.4 | 0 | 0 | 0 | 0 | 111.8 | Y3133 Q3137 V3138 E3139 | Y3133-S3135 VanDerWaalsContact C-N 3.3Å; Y3133-S3135 PolarHBondContact O-N 3.31Å; Y3133-S3135 VanDerWaalsContact O-N 3.13Å; S3135-Q3137 PolarHBondContact O-N 3.08Å; S3135-Q3137 VanDerWaalsContact O-N 3.09Å; S3135-V3138 PolarHBondContact O-N 3Å; S3135-V3138 VanDerWaalsContact O-N 3.14Å; S3135-V3138 WeakPolarHBondContact OG-CG2 3.18Å; S3135-E3139 PolarHBondContact O-N 3Å | ||
| 3136 | E | 42.8 | Very low | 46.4 | Very low | 145.4 Ų | 145.4 | 83.8 Ų | 83.8 | 68% | 0.679 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -49 | -28.1 | -179.3 | -66.1 | 178.3 | 150.9 | 0 | 0 | 113.9 | N3134 V3138 A3140 | N3134-E3136 PolarHBondContact O-N 3.27Å; E3136-V3138 VanDerWaalsContact C-N 3.35Å; E3136-V3138 PolarHBondContact O-N 2.87Å; E3136-A3140 VanDerWaalsContact O-CB 3.24Å; E3136-A3140 WeakPolarHBondContact O-CB 3.33Å; E3136-A3140 PolarHBondContact O-N 3.16Å; E3136-A3140 VanDerWaalsContact O-N 3.11Å |
| 3137 | Q | 41.8 | Very low | 46.2 | Very low | 167.6 Ų | 167.6 | 81.6 Ų | 81.6 | 78% | 0.783 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -72.3 | -35.6 | -179 | -71.9 | -177 | -15.2 | 0 | 0 | 114.1 | S3135 A3140 S3141 | S3135-Q3137 PolarHBondContact O-N 3.08Å; S3135-Q3137 VanDerWaalsContact O-N 3.09Å; Q3137-A3140 PolarHBondContact O-N 3.38Å; Q3137-S3141 WeakPolarHBondContact O-CB 3.4Å; Q3137-S3141 PolarHBondContact O-N 2.99Å; Q3137-S3141 VanDerWaalsContact O-N 3.1Å; Q3137-S3141 PolarHBondContact O-OG 3.16Å |
| 3138 | V | 43 | Very low | 46.1 | Very low | 86 Ų | 86 | 83.3 Ų | 83.3 | 52% | 0.521 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -74.3 | -44.2 | -179.2 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | S3135 E3136 A3140 S3141 F3142 | S3135-V3138 PolarHBondContact O-N 3Å; S3135-V3138 VanDerWaalsContact O-N 3.14Å; S3135-V3138 WeakPolarHBondContact OG-CG2 3.18Å; E3136-V3138 VanDerWaalsContact C-N 3.35Å; E3136-V3138 PolarHBondContact O-N 2.87Å; V3138-A3140 VanDerWaalsContact C-N 3.33Å; V3138-A3140 PolarHBondContact O-N 2.91Å; V3138-S3141 PolarHBondContact O-N 3.2Å; V3138-S3141 VanDerWaalsContact O-N 3.11Å; V3138-S3141 PolarHBondContact O-OG 2.95Å; V3138-F3142 VanDerWaalsContact O-CB 3.3Å; V3138-F3142 WeakPolarHBondContact O-CB 3.32Å; V3138-F3142 PolarHBondContact O-N 3.14Å; V3138-F3142 VanDerWaalsContact O-N 3.11Å |
| 3139 | E | 45.6 | Very low | 46.2 | Very low | 51.2 Ų | 51.2 | 78.3 Ų | 78.3 | 24% | 0.239 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -57.9 | -47.3 | 171.8 | -81 | -168.3 | 144.4 | 0 | 0 | 111.8 | S3135 S3141 F3142 F3143 T3180 | S3135-E3139 PolarHBondContact O-N 3Å; E3139-S3141 PolarHBondContact O-N 3.3Å; E3139-F3142 PolarHBondContact O-N 3.29Å; E3139-F3142 VanDerWaalsContact O-N 3.15Å; E3139-F3143 VanDerWaalsContact C-CD2 3.49Å; E3139-F3143 HydrophobicContact CB-CD2 4.02Å; E3139-F3143 HydrophobicContact CB-CE2 3.75Å; E3139-F3143 HydrophobicContact CG-CD2 4.48Å; E3139-F3143 HydrophobicContact CG-CE2 3.9Å; E3139-F3143 HydrophobicContact CG-CZ 4.3Å; E3139-F3143 WeakPolarHBondContact O-CB 3.42Å; E3139-F3143 WeakPolarHBondContact O-CD2 3.35Å; E3139-F3143 VanDerWaalsContact O-CG 3.25Å; E3139-F3143 WeakPolarHBondContact O-CG 3.26Å; E3139-F3143 PolarHBondContact O-N 3.13Å; E3139-F3143 WeakPolarHBondContact OE1-CE2 3.42Å; E3139-T3180 WeakPolarHBondContact OE1-CB 3.33Å; E3139-T3180 PolarHBondContact OE1-OG1 3.18Å; E3139-T3180 WeakPolarHBondContact OE2-CB 3.22Å; E3139-T3180 PolarHBondContact OE2-OG1 2.92Å |
| 3140 | A | 44.6 | Very low | 46.2 | Very low | 44.6 Ų | 44.6 | 73.6 Ų | 73.6 | 37% | 0.369 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.3 | -37.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E3136 Q3137 V3138 F3142 K3144 | E3136-A3140 VanDerWaalsContact O-CB 3.24Å; E3136-A3140 WeakPolarHBondContact O-CB 3.33Å; E3136-A3140 PolarHBondContact O-N 3.16Å; E3136-A3140 VanDerWaalsContact O-N 3.11Å; Q3137-A3140 PolarHBondContact O-N 3.38Å; V3138-A3140 VanDerWaalsContact C-N 3.33Å; V3138-A3140 PolarHBondContact O-N 2.91Å; A3140-F3142 VanDerWaalsContact C-N 3.32Å; A3140-K3144 VanDerWaalsContact O-CB 3.27Å; A3140-K3144 WeakPolarHBondContact O-CB 3.23Å; A3140-K3144 VanDerWaalsContact O-CG 3.32Å; A3140-K3144 WeakPolarHBondContact O-CG 3.22Å; A3140-K3144 PolarHBondContact O-N 3.05Å |
| 3141 | S | 47 | Very low | 46.4 | Very low | 60.6 Ų | 60.6 | 74.1 Ų | 74.1 | 42% | 0.424 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -72.2 | -41.2 | 175.6 | 62.6 | 0 | 0 | 0 | 0 | 111.8 | Q3137 V3138 E3139 K3144 N3145 | Q3137-S3141 WeakPolarHBondContact O-CB 3.4Å; Q3137-S3141 PolarHBondContact O-N 2.99Å; Q3137-S3141 VanDerWaalsContact O-N 3.1Å; Q3137-S3141 PolarHBondContact O-OG 3.16Å; V3138-S3141 PolarHBondContact O-N 3.2Å; V3138-S3141 VanDerWaalsContact O-N 3.11Å; V3138-S3141 PolarHBondContact O-OG 2.95Å; E3139-S3141 PolarHBondContact O-N 3.3Å; S3141-K3144 WeakPolarHBondContact O-CB 3.33Å; S3141-K3144 PolarHBondContact O-N 3.19Å; S3141-N3145 PolarHBondContact O-N 3.13Å; S3141-N3145 PolarHBondContact O-ND2 3.22Å; S3141-N3145 PolarHBondContact O-OD1 3.04Å |
| 3142 | F | 49.8 | Very low | 46.7 | Very low | 36.2 Ų | 36.2 | 68.4 Ų | 68.4 | 16% | 0.159 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.7 | -46.2 | -178.5 | -173.8 | -90.8 | 0 | 0 | 0 | 112.6 | K3122 A3123 L3126 V3138 E3139 A3140 K3144 N3145 V3146 | K3122-F3142 HydrophobicContact CB-CE2 4.15Å; K3122-F3142 HydrophobicContact CB-CZ 4.01Å; A3123-F3142 VanDerWaalsContact CA-CE1 3.47Å; A3123-F3142 VanDerWaalsContact CA-CZ 3.46Å; A3123-F3142 HydrophobicContact CB-CD1 4.44Å; A3123-F3142 HydrophobicContact CB-CE1 3.44Å; A3123-F3142 VanDerWaalsContact CB-CE1 3.44Å; A3123-F3142 HydrophobicContact CB-CZ 3.83Å; L3126-F3142 HydrophobicContact CB-CE1 4.4Å; L3126-F3142 HydrophobicContact CB-CZ 4.41Å; L3126-F3142 HydrophobicContact CD1-CD1 4.23Å; L3126-F3142 HydrophobicContact CD1-CD2 4.18Å; L3126-F3142 HydrophobicContact CD1-CE1 4.19Å; L3126-F3142 HydrophobicContact CD1-CE2 3.98Å; L3126-F3142 VanDerWaalsContact CD1-CE2 3.45Å; L3126-F3142 HydrophobicContact CD1-CG 4.18Å; L3126-F3142 HydrophobicContact CD1-CZ 3.97Å; V3138-F3142 VanDerWaalsContact O-CB 3.3Å; V3138-F3142 WeakPolarHBondContact O-CB 3.32Å; V3138-F3142 PolarHBondContact O-N 3.14Å; V3138-F3142 VanDerWaalsContact O-N 3.11Å; E3139-F3142 PolarHBondContact O-N 3.29Å; E3139-F3142 VanDerWaalsContact O-N 3.15Å; A3140-F3142 VanDerWaalsContact C-N 3.32Å; F3142-K3144 VanDerWaalsContact C-N 3.33Å; F3142-K3144 PolarHBondContact O-N 3.15Å; F3142-N3145 WeakPolarHBondContact O-CB 3.34Å; F3142-N3145 PolarHBondContact O-N 3.14Å; F3142-N3145 VanDerWaalsContact O-N 3.13Å; F3142-V3146 HydrophobicContact CD1-CG2 4.32Å; F3142-V3146 HydrophobicContact CE1-CG2 3.97Å; F3142-V3146 HydrophobicContact CZ-CG2 4.34Å; F3142-V3146 PolarHBondContact O-N 3.2Å; F3142-V3146 VanDerWaalsContact O-N 3.11Å |
| 3143 | F | 51.1 | Low | 47.2 | Very low | 27.4 Ų | 27.4 | 60.9 Ų | 60.9 | 12% | 0.12 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66 | -28.2 | 175.4 | -66.9 | -49 | 0 | 0 | 0 | 112.9 | V3127 E3139 N3145 V3146 Y3147 L3177 | V3127-F3143 HydrophobicContact CG2-CE1 3.93Å; V3127-F3143 HydrophobicContact CG2-CZ 3.77Å; V3127-F3143 VanDerWaalsContact CG2-CZ 3.46Å; E3139-F3143 VanDerWaalsContact C-CD2 3.49Å; E3139-F3143 HydrophobicContact CB-CD2 4.02Å; E3139-F3143 HydrophobicContact CB-CE2 3.75Å; E3139-F3143 HydrophobicContact CG-CD2 4.48Å; E3139-F3143 HydrophobicContact CG-CE2 3.9Å; E3139-F3143 HydrophobicContact CG-CZ 4.3Å; E3139-F3143 WeakPolarHBondContact O-CB 3.42Å; E3139-F3143 WeakPolarHBondContact O-CD2 3.35Å; E3139-F3143 VanDerWaalsContact O-CG 3.25Å; E3139-F3143 WeakPolarHBondContact O-CG 3.26Å; E3139-F3143 PolarHBondContact O-N 3.13Å; E3139-F3143 WeakPolarHBondContact OE1-CE2 3.42Å; F3143-N3145 VanDerWaalsContact C-N 3.3Å; F3143-N3145 PolarHBondContact O-N 2.94Å; F3143-V3146 PolarHBondContact O-N 3.13Å; F3143-Y3147 VanDerWaalsContact O-CB 3.27Å; F3143-Y3147 WeakPolarHBondContact O-CB 3.41Å; F3143-Y3147 PolarHBondContact O-N 3.11Å; F3143-L3177 HydrophobicContact CD1-CD2 3.65Å; F3143-L3177 HydrophobicContact CD1-CG 4.28Å; F3143-L3177 HydrophobicContact CD2-CD2 4.21Å; F3143-L3177 HydrophobicContact CE1-CD1 4.15Å; F3143-L3177 HydrophobicContact CE1-CD2 3.36Å; F3143-L3177 HydrophobicContact CE1-CG 3.82Å; F3143-L3177 HydrophobicContact CE2-CD2 4.08Å; F3143-L3177 HydrophobicContact CE2-CG 4.31Å; F3143-L3177 HydrophobicContact CG-CD2 4.12Å; F3143-L3177 HydrophobicContact CZ-CD1 4.43Å; F3143-L3177 HydrophobicContact CZ-CD2 3.64Å; F3143-L3177 HydrophobicContact CZ-CG 4.01Å |
| 3144 | K | 50.9 | Low | 47.6 | Very low | 74.8 Ų | 74.8 | 54.3 Ų | 54.3 | 33% | 0.325 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 172.4 | -152.2 | 177.3 | -177 | -170.7 | 0 | 111.9 | P2940 A3140 S3141 F3142 V3146 Y3147 Y3148 | P2940-K3144 HydrophobicContact CG-CD 4.4Å; A3140-K3144 VanDerWaalsContact O-CB 3.27Å; A3140-K3144 WeakPolarHBondContact O-CB 3.23Å; A3140-K3144 VanDerWaalsContact O-CG 3.32Å; A3140-K3144 WeakPolarHBondContact O-CG 3.22Å; A3140-K3144 PolarHBondContact O-N 3.05Å; S3141-K3144 WeakPolarHBondContact O-CB 3.33Å; S3141-K3144 PolarHBondContact O-N 3.19Å; F3142-K3144 VanDerWaalsContact C-N 3.33Å; F3142-K3144 PolarHBondContact O-N 3.15Å; K3144-V3146 PolarHBondContact O-N 3.5Å; K3144-Y3147 WeakPolarHBondContact O-CB 3.46Å; K3144-Y3147 PolarHBondContact O-N 3.08Å; K3144-Y3148 HydrophobicContact CB-CD2 4.34Å; K3144-Y3148 HydrophobicContact CB-CE2 4.05Å; K3144-Y3148 HydrophobicContact CD-CE2 4.14Å; K3144-Y3148 VanDerWaalsContact CE-CZ 3.45Å; K3144-Y3148 VanDerWaalsContact CE-OH 3.28Å; K3144-Y3148 WeakPolarHBondContact CE-OH 3.28Å; K3144-Y3148 HydrophobicContact CG-CD2 4.16Å; K3144-Y3148 HydrophobicContact CG-CE2 3.64Å; K3144-Y3148 PolarHBondContact NZ-OH 2.9Å; K3144-Y3148 VanDerWaalsContact O-CD2 3.24Å; K3144-Y3148 WeakPolarHBondContact O-CD2 3.42Å; K3144-Y3148 PolarHBondContact O-N 3.15Å |
| 3145 | N | 50.2 | Low | 47.9 | Very low | 28.8 Ų | 28.8 | 50.9 Ų | 50.9 | 15% | 0.154 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.8 | -44.5 | 174.7 | -66.6 | -15.6 | 0 | 0 | 0 | 111.6 | S2997 T3000 S3141 F3142 F3143 Y3147 Y3148 L3149 | S2997-N3145 VanDerWaalsContact CB-ND2 3.32Å; S2997-N3145 WeakPolarHBondContact CB-ND2 3.27Å; S2997-N3145 PolarHBondContact N-OD1 3.5Å; S2997-N3145 VanDerWaalsContact N-OD1 3.15Å; S2997-N3145 PolarHBondContact OG-ND2 3.3Å; T3000-N3145 HydrophobicContact CG2-CB 4.09Å; T3000-N3145 VanDerWaalsContact CG2-CG 3.46Å; T3000-N3145 VanDerWaalsContact CG2-OD1 3.31Å; T3000-N3145 WeakPolarHBondContact CG2-OD1 3.47Å; S3141-N3145 PolarHBondContact O-N 3.13Å; S3141-N3145 PolarHBondContact O-ND2 3.22Å; S3141-N3145 PolarHBondContact O-OD1 3.04Å; F3142-N3145 WeakPolarHBondContact O-CB 3.34Å; F3142-N3145 PolarHBondContact O-N 3.14Å; F3142-N3145 VanDerWaalsContact O-N 3.13Å; F3143-N3145 VanDerWaalsContact C-N 3.3Å; F3143-N3145 PolarHBondContact O-N 2.94Å; N3145-Y3147 VanDerWaalsContact C-N 3.31Å; N3145-Y3147 PolarHBondContact O-N 3.09Å; N3145-Y3148 PolarHBondContact O-N 3.24Å; N3145-L3149 WeakPolarHBondContact O-CB 3.38Å; N3145-L3149 WeakPolarHBondContact O-CD1 3.36Å; N3145-L3149 VanDerWaalsContact O-CG 3.3Å; N3145-L3149 WeakPolarHBondContact O-CG 3.43Å; N3145-L3149 PolarHBondContact O-N 2.9Å |
| 3146 | V | 52.2 | Low | 47.8 | Very low | 8.6 Ų | 8.6 | 50.6 Ų | 50.6 | 5% | 0.052 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 173.9 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | I3120 A3123 F3142 F3143 K3144 Y3148 L3149 I3150 L3171 | I3120-V3146 HydrophobicContact CG1-CG1 4.36Å; A3123-V3146 HydrophobicContact CB-CG2 4.01Å; F3142-V3146 HydrophobicContact CD1-CG2 4.32Å; F3142-V3146 HydrophobicContact CE1-CG2 3.97Å; F3142-V3146 HydrophobicContact CZ-CG2 4.34Å; F3142-V3146 PolarHBondContact O-N 3.2Å; F3142-V3146 VanDerWaalsContact O-N 3.11Å; F3143-V3146 PolarHBondContact O-N 3.13Å; K3144-V3146 PolarHBondContact O-N 3.5Å; V3146-Y3148 PolarHBondContact O-N 3.01Å; V3146-L3149 WeakPolarHBondContact O-CB 3.48Å; V3146-L3149 PolarHBondContact O-N 3.16Å; V3146-I3150 HydrophobicContact CG1-CD1 3.85Å; V3146-I3150 HydrophobicContact CG1-CG1 4.36Å; V3146-I3150 VanDerWaalsContact O-CB 3.31Å; V3146-I3150 WeakPolarHBondContact O-CB 3.44Å; V3146-I3150 VanDerWaalsContact O-CG1 3.26Å; V3146-I3150 WeakPolarHBondContact O-CG1 3.36Å; V3146-I3150 PolarHBondContact O-N 3.15Å; V3146-L3171 HydrophobicContact CG1-CD1 4.25Å; V3146-L3171 HydrophobicContact CG1-CD2 4.01Å |
| 3147 | Y | 50.2 | Low | 48 | Very low | 35.4 Ų | 35.4 | 44.7 Ų | 44.7 | 14% | 0.139 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.1 | -45.1 | 174.9 | 171.5 | -95.2 | 0 | 0 | 0 | 112.6 | F3143 K3144 N3145 L3149 I3150 L3151 N3183 Y3186 C3187 T3190 I3191 | F3143-Y3147 VanDerWaalsContact O-CB 3.27Å; F3143-Y3147 WeakPolarHBondContact O-CB 3.41Å; F3143-Y3147 PolarHBondContact O-N 3.11Å; K3144-Y3147 WeakPolarHBondContact O-CB 3.46Å; K3144-Y3147 PolarHBondContact O-N 3.08Å; N3145-Y3147 VanDerWaalsContact C-N 3.31Å; N3145-Y3147 PolarHBondContact O-N 3.09Å; Y3147-L3149 PolarHBondContact O-N 3.18Å; Y3147-I3150 WeakPolarHBondContact O-CB 3.21Å; Y3147-I3150 PolarHBondContact O-N 3.07Å; Y3147-L3151 HydrophobicContact CD1-CD1 4Å; Y3147-L3151 HydrophobicContact CD2-CD1 4.15Å; Y3147-L3151 HydrophobicContact CD2-CG 4.34Å; Y3147-L3151 HydrophobicContact CE1-CD1 3.35Å; Y3147-L3151 VanDerWaalsContact CE1-CD1 3.43Å; Y3147-L3151 HydrophobicContact CE1-CG 4.28Å; Y3147-L3151 HydrophobicContact CE2-CD1 3.96Å; Y3147-L3151 VanDerWaalsContact CE2-CD1 3.47Å; Y3147-L3151 HydrophobicContact CE2-CG 4.22Å; Y3147-L3151 HydrophobicContact CG-CD1 4.26Å; Y3147-L3151 VanDerWaalsContact CZ-CD1 3.43Å; Y3147-L3151 WeakPolarHBondContact O-CB 3.36Å; Y3147-L3151 PolarHBondContact O-N 3.17Å; Y3147-L3151 VanDerWaalsContact OH-CD1 3.22Å; Y3147-L3151 WeakPolarHBondContact OH-CD1 3.39Å; Y3147-N3183 WeakPolarHBondContact CD2-O 3.47Å; Y3147-N3183 WeakPolarHBondContact CE2-O 3.4Å; Y3147-Y3186 VanDerWaalsContact OH-CD1 3.28Å; Y3147-Y3186 WeakPolarHBondContact OH-CD1 3.39Å; Y3147-C3187 HydrophobicContact CD2-CB 3.63Å; Y3147-C3187 WeakPolarHBondContact CD2-SG 3.35Å; Y3147-C3187 VanDerWaalsContact CE2-CA 3.48Å; Y3147-C3187 HydrophobicContact CE2-CB 3.84Å; Y3147-C3187 WeakPolarHBondContact CE2-O 3.14Å; Y3147-C3187 VanDerWaalsContact CE2-SG 3.53Å; Y3147-C3187 HydrophobicContact CG-CB 4.47Å; Y3147-T3190 WeakPolarHBondContact CE2-OG1 3.49Å; Y3147-T3190 VanDerWaalsContact CZ-OG1 3.27Å; Y3147-T3190 WeakPolarHBondContact OH-CB 3.27Å; Y3147-T3190 VanDerWaalsContact OH-CG2 3.3Å; Y3147-T3190 WeakPolarHBondContact OH-CG2 3.47Å; Y3147-T3190 PolarHBondContact OH-OG1 3.15Å; Y3147-I3191 HydrophobicContact CD2-CD1 4.03Å; Y3147-I3191 HydrophobicContact CD2-CG1 4.23Å; Y3147-I3191 HydrophobicContact CE2-CD1 4.12Å; Y3147-I3191 HydrophobicContact CE2-CG1 4.16Å |
| 3148 | Y | 50.4 | Low | 48 | Very low | 46 Ų | 46 | 40 Ų | 40 | 18% | 0.18 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.5 | -41.8 | 176.3 | -71.9 | -52.5 | 0 | 0 | 0 | 112.2 | K2937 L2938 I2996 K3144 N3145 V3146 I3150 L3151 I3152 F3286 I3287 | K2937-Y3148 WeakPolarHBondContact O-CE1 3.35Å; L2938-Y3148 HydrophobicContact CB-CE1 4.4Å; L2938-Y3148 HydrophobicContact CD1-CE1 4.06Å; L2938-Y3148 HydrophobicContact CD2-CD1 3.81Å; L2938-Y3148 HydrophobicContact CD2-CE1 3.47Å; L2938-Y3148 VanDerWaalsContact CD2-CE1 3.47Å; L2938-Y3148 HydrophobicContact CG-CE1 4.15Å; I2996-Y3148 HydrophobicContact CD1-CD1 3.93Å; I2996-Y3148 HydrophobicContact CD1-CD2 3.57Å; I2996-Y3148 HydrophobicContact CD1-CE1 4.02Å; I2996-Y3148 HydrophobicContact CD1-CE2 3.71Å; I2996-Y3148 HydrophobicContact CD1-CG 3.73Å; I2996-Y3148 HydrophobicContact CG1-CD2 3.66Å; I2996-Y3148 HydrophobicContact CG1-CE2 3.6Å; I2996-Y3148 HydrophobicContact CG1-CG 4.34Å; K3144-Y3148 HydrophobicContact CB-CD2 4.34Å; K3144-Y3148 HydrophobicContact CB-CE2 4.05Å; K3144-Y3148 HydrophobicContact CD-CE2 4.14Å; K3144-Y3148 VanDerWaalsContact CE-CZ 3.45Å; K3144-Y3148 VanDerWaalsContact CE-OH 3.28Å; K3144-Y3148 WeakPolarHBondContact CE-OH 3.28Å; K3144-Y3148 HydrophobicContact CG-CD2 4.16Å; K3144-Y3148 HydrophobicContact CG-CE2 3.64Å; K3144-Y3148 PolarHBondContact NZ-OH 2.9Å; K3144-Y3148 VanDerWaalsContact O-CD2 3.24Å; K3144-Y3148 WeakPolarHBondContact O-CD2 3.42Å; K3144-Y3148 PolarHBondContact O-N 3.15Å; N3145-Y3148 PolarHBondContact O-N 3.24Å; V3146-Y3148 PolarHBondContact O-N 3.01Å; Y3148-I3150 VanDerWaalsContact C-N 3.32Å; Y3148-I3150 PolarHBondContact O-N 3.25Å; Y3148-L3151 HydrophobicContact CD1-CD1 4.36Å; Y3148-L3151 PolarHBondContact O-N 3.11Å; Y3148-I3152 VanDerWaalsContact O-CB 3.3Å; Y3148-I3152 WeakPolarHBondContact O-CB 3.45Å; Y3148-I3152 WeakPolarHBondContact O-CD1 3.27Å; Y3148-I3152 VanDerWaalsContact O-CG1 3.31Å; Y3148-I3152 WeakPolarHBondContact O-CG1 3.29Å; Y3148-I3152 PolarHBondContact O-N 2.97Å; Y3148-I3152 VanDerWaalsContact O-N 3.12Å; Y3148-F3286 HydrophobicContact CE1-CD1 4.39Å; Y3148-F3286 AromaticContact CE1-CE1 3.97Å; Y3148-F3286 HydrophobicContact CE1-CE1 3.97Å; Y3148-I3287 HydrophobicContact CD1-CG1 4.06Å; Y3148-I3287 HydrophobicContact CE1-CG1 4.41Å; Y3148-I3287 HydrophobicContact CG-CG1 4.37Å |
| 3149 | L | 52.2 | Low | 48.1 | Very low | 7.8 Ų | 7.8 | 37.1 Ų | 37.1 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.1 | -47.8 | 172.9 | -79.6 | 160.5 | 0 | 0 | 0 | 111.1 | T3000 L3007 I3116 E3119 N3145 V3146 Y3147 L3151 I3152 C3153 | T3000-L3149 HydrophobicContact CG2-CD1 4.38Å; T3000-L3149 HydrophobicContact CG2-CD2 4.13Å; T3000-L3149 HydrophobicContact CG2-CG 3.82Å; L3007-L3149 HydrophobicContact CD1-CD2 3.45Å; L3007-L3149 VanDerWaalsContact CD1-CD2 3.45Å; L3007-L3149 HydrophobicContact CD1-CG 4.31Å; I3116-L3149 HydrophobicContact CB-CD2 4.46Å; I3116-L3149 HydrophobicContact CG1-CB 4.44Å; I3116-L3149 HydrophobicContact CG1-CD2 3.98Å; I3116-L3149 HydrophobicContact CG2-CD2 4.09Å; E3119-L3149 HydrophobicContact CB-CD1 3.95Å; E3119-L3149 HydrophobicContact CG-CD1 3.98Å; N3145-L3149 WeakPolarHBondContact O-CB 3.38Å; N3145-L3149 WeakPolarHBondContact O-CD1 3.36Å; N3145-L3149 VanDerWaalsContact O-CG 3.3Å; N3145-L3149 WeakPolarHBondContact O-CG 3.43Å; N3145-L3149 PolarHBondContact O-N 2.9Å; V3146-L3149 WeakPolarHBondContact O-CB 3.48Å; V3146-L3149 PolarHBondContact O-N 3.16Å; Y3147-L3149 PolarHBondContact O-N 3.18Å; L3149-L3151 PolarHBondContact O-N 3.03Å; L3149-I3152 PolarHBondContact O-N 3.05Å; L3149-C3153 WeakPolarHBondContact O-CA 3.42Å; L3149-C3153 VanDerWaalsContact O-CB 3.27Å; L3149-C3153 WeakPolarHBondContact O-CB 3.27Å; L3149-C3153 PolarHBondContact O-N 3.12Å; L3149-C3153 VanDerWaalsContact O-N 3.11Å; L3149-C3153 PolarHBondContact O-SG 3.02Å |
| 3150 | I | 51.5 | Low | 48 | Very low | 19.4 Ų | 19.4 | 41.8 Ų | 41.8 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.1 | -48.6 | 178.8 | -71.9 | 172.9 | 0 | 0 | 0 | 111.4 | V3146 Y3147 Y3148 I3152 C3153 L3154 L3168 I3191 | V3146-I3150 HydrophobicContact CG1-CD1 3.85Å; V3146-I3150 HydrophobicContact CG1-CG1 4.36Å; V3146-I3150 VanDerWaalsContact O-CB 3.31Å; V3146-I3150 WeakPolarHBondContact O-CB 3.44Å; V3146-I3150 VanDerWaalsContact O-CG1 3.26Å; V3146-I3150 WeakPolarHBondContact O-CG1 3.36Å; V3146-I3150 PolarHBondContact O-N 3.15Å; Y3147-I3150 WeakPolarHBondContact O-CB 3.21Å; Y3147-I3150 PolarHBondContact O-N 3.07Å; Y3148-I3150 VanDerWaalsContact C-N 3.32Å; Y3148-I3150 PolarHBondContact O-N 3.25Å; I3150-I3152 VanDerWaalsContact C-N 3.3Å; I3150-I3152 PolarHBondContact O-N 3.25Å; I3150-C3153 PolarHBondContact O-N 3.01Å; I3150-L3154 HydrophobicContact CB-CD1 4.06Å; I3150-L3154 HydrophobicContact CG1-CD1 4.16Å; I3150-L3154 HydrophobicContact CG2-CD1 3.59Å; I3150-L3154 VanDerWaalsContact CG2-CD1 3.45Å; I3150-L3154 HydrophobicContact CG2-CG 4.2Å; I3150-L3154 VanDerWaalsContact O-CB 3.26Å; I3150-L3154 WeakPolarHBondContact O-CB 3.28Å; I3150-L3154 WeakPolarHBondContact O-CD1 3.47Å; I3150-L3154 WeakPolarHBondContact O-CG 3.42Å; I3150-L3154 PolarHBondContact O-N 3.25Å; I3150-L3154 VanDerWaalsContact O-N 3.12Å; I3150-L3168 HydrophobicContact CD1-CD2 3.89Å; I3150-L3168 HydrophobicContact CG1-CD2 3.87Å; I3150-L3168 HydrophobicContact CG2-CD2 4.46Å; I3150-I3191 HydrophobicContact CD1-CD1 4.17Å; I3150-I3191 HydrophobicContact CG2-CD1 3.8Å; I3150-I3191 VanDerWaalsContact CG2-CD1 3.47Å; I3150-I3191 HydrophobicContact CG2-CG1 3.52Å; I3150-I3191 VanDerWaalsContact CG2-CG1 3.42Å |
| 3151 | L | 46.7 | Very low | 48.1 | Very low | 38.8 Ų | 38.8 | 43.3 Ų | 43.3 | 20% | 0.203 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.7 | -34.4 | -177.3 | -98.3 | 171.4 | 0 | 0 | 0 | 113.7 | L2938 Y3147 Y3148 L3149 C3153 P3155 T3190 | L2938-L3151 HydrophobicContact CD2-CD1 4.41Å; Y3147-L3151 HydrophobicContact CD1-CD1 4Å; Y3147-L3151 HydrophobicContact CD2-CD1 4.15Å; Y3147-L3151 HydrophobicContact CD2-CG 4.34Å; Y3147-L3151 HydrophobicContact CE1-CD1 3.35Å; Y3147-L3151 VanDerWaalsContact CE1-CD1 3.43Å; Y3147-L3151 HydrophobicContact CE1-CG 4.28Å; Y3147-L3151 HydrophobicContact CE2-CD1 3.96Å; Y3147-L3151 VanDerWaalsContact CE2-CD1 3.47Å; Y3147-L3151 HydrophobicContact CE2-CG 4.22Å; Y3147-L3151 HydrophobicContact CG-CD1 4.26Å; Y3147-L3151 VanDerWaalsContact CZ-CD1 3.43Å; Y3147-L3151 WeakPolarHBondContact O-CB 3.36Å; Y3147-L3151 PolarHBondContact O-N 3.17Å; Y3147-L3151 VanDerWaalsContact OH-CD1 3.22Å; Y3147-L3151 WeakPolarHBondContact OH-CD1 3.39Å; Y3148-L3151 HydrophobicContact CD1-CD1 4.36Å; Y3148-L3151 PolarHBondContact O-N 3.11Å; L3149-L3151 PolarHBondContact O-N 3.03Å; L3151-C3153 VanDerWaalsContact C-N 3.33Å; L3151-P3155 VanDerWaalsContact O-CD 3.32Å; L3151-P3155 WeakPolarHBondContact O-CD 3.18Å; L3151-P3155 WeakPolarHBondContact O-CG 3.04Å; L3151-T3190 HydrophobicContact CD2-CG2 3.87Å |
| 3152 | I | 48.1 | Very low | 48 | Very low | 35.2 Ų | 35.2 | 43.3 Ų | 43.3 | 18% | 0.181 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -78.6 | -36.5 | 178.5 | -59.3 | 165.1 | 0 | 0 | 0 | 110.4 | C3004 L3007 L3008 K3011 Y3148 L3149 I3150 P3155 N3156 I3287 | C3004-I3152 HydrophobicContact CB-CD1 3.82Å; C3004-I3152 HydrophobicContact CB-CG2 4.49Å; L3007-I3152 HydrophobicContact CB-CG2 4.08Å; L3007-I3152 HydrophobicContact CD2-CB 4.04Å; L3007-I3152 HydrophobicContact CD2-CG2 3.73Å; L3007-I3152 HydrophobicContact CG-CB 4.45Å; L3007-I3152 HydrophobicContact CG-CG2 3.53Å; L3008-I3152 HydrophobicContact CD1-CD1 3.63Å; L3008-I3152 HydrophobicContact CD1-CG1 4.14Å; L3008-I3152 HydrophobicContact CD2-CG1 4.27Å; L3008-I3152 HydrophobicContact CD2-CG2 3.87Å; L3008-I3152 HydrophobicContact CG-CD1 3.95Å; L3008-I3152 HydrophobicContact CG-CG1 4.1Å; L3008-I3152 HydrophobicContact CG-CG2 3.65Å; K3011-I3152 HydrophobicContact CD-CG2 4.26Å; Y3148-I3152 VanDerWaalsContact O-CB 3.3Å; Y3148-I3152 WeakPolarHBondContact O-CB 3.45Å; Y3148-I3152 WeakPolarHBondContact O-CD1 3.27Å; Y3148-I3152 VanDerWaalsContact O-CG1 3.31Å; Y3148-I3152 WeakPolarHBondContact O-CG1 3.29Å; Y3148-I3152 PolarHBondContact O-N 2.97Å; Y3148-I3152 VanDerWaalsContact O-N 3.12Å; L3149-I3152 PolarHBondContact O-N 3.05Å; I3150-I3152 VanDerWaalsContact C-N 3.3Å; I3150-I3152 PolarHBondContact O-N 3.25Å; I3152-P3155 WeakPolarHBondContact O-CD 3.36Å; I3152-N3156 PolarHBondContact O-ND2 3.43Å; I3152-I3287 HydrophobicContact CD1-CD1 3.8Å; I3152-I3287 HydrophobicContact CG1-CD1 4Å |
| 3153 | C | 49.6 | Very low | 47.9 | Very low | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.027 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -81.2 | -41.1 | -173.2 | -62.7 | 0 | 0 | 0 | 0 | 114.2 | L3007 I3116 L3149 I3150 L3151 P3155 N3156 L3157 | L3007-C3153 VanDerWaalsContact CD1-SG 3.52Å; L3007-C3153 HydrophobicContact CD2-CB 4.22Å; L3007-C3153 WeakPolarHBondContact CD2-SG 3.43Å; I3116-C3153 HydrophobicContact CD1-CB 3.71Å; I3116-C3153 VanDerWaalsContact CD1-CB 3.48Å; I3116-C3153 WeakPolarHBondContact CD1-SG 3.45Å; I3116-C3153 HydrophobicContact CG2-CB 4.41Å; L3149-C3153 WeakPolarHBondContact O-CA 3.42Å; L3149-C3153 VanDerWaalsContact O-CB 3.27Å; L3149-C3153 WeakPolarHBondContact O-CB 3.27Å; L3149-C3153 PolarHBondContact O-N 3.12Å; L3149-C3153 VanDerWaalsContact O-N 3.11Å; L3149-C3153 PolarHBondContact O-SG 3.02Å; I3150-C3153 PolarHBondContact O-N 3.01Å; L3151-C3153 VanDerWaalsContact C-N 3.33Å; C3153-P3155 VanDerWaalsContact C-CD 3.47Å; C3153-N3156 PolarHBondContact O-N 3.18Å; C3153-N3156 VanDerWaalsContact O-N 3.13Å; C3153-L3157 HydrophobicContact CB-CD1 3.74Å; C3153-L3157 HydrophobicContact CB-CG 4.46Å; C3153-L3157 WeakPolarHBondContact O-CB 3.34Å; C3153-L3157 WeakPolarHBondContact O-CD1 3.21Å; C3153-L3157 VanDerWaalsContact O-CG 3.22Å; C3153-L3157 WeakPolarHBondContact O-CG 3.44Å; C3153-L3157 PolarHBondContact O-N 3.05Å |
| 3154 | L | 49.3 | Very low | 47.8 | Very low | 38.8 Ų | 38.8 | 46.1 Ų | 46.1 | 20% | 0.203 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -42.4 | -169.3 | -90.8 | 150.2 | 0 | 0 | 0 | 114.9 | I3150 N3156 L3157 I3159 F3164 L3168 I3191 Y3195 V3197 F3200 | I3150-L3154 HydrophobicContact CB-CD1 4.06Å; I3150-L3154 HydrophobicContact CG1-CD1 4.16Å; I3150-L3154 HydrophobicContact CG2-CD1 3.59Å; I3150-L3154 VanDerWaalsContact CG2-CD1 3.45Å; I3150-L3154 HydrophobicContact CG2-CG 4.2Å; I3150-L3154 VanDerWaalsContact O-CB 3.26Å; I3150-L3154 WeakPolarHBondContact O-CB 3.28Å; I3150-L3154 WeakPolarHBondContact O-CD1 3.47Å; I3150-L3154 WeakPolarHBondContact O-CG 3.42Å; I3150-L3154 PolarHBondContact O-N 3.25Å; I3150-L3154 VanDerWaalsContact O-N 3.12Å; L3154-N3156 PolarHBondContact O-N 3.25Å; L3154-N3156 VanDerWaalsContact O-N 3.14Å; L3154-L3157 PolarHBondContact O-N 2.91Å; L3154-I3159 HydrophobicContact CD2-CD1 3.46Å; L3154-I3159 VanDerWaalsContact CD2-CD1 3.46Å; L3154-F3164 HydrophobicContact CD1-CE1 3.99Å; L3154-F3164 HydrophobicContact CD1-CZ 4.25Å; L3154-F3164 HydrophobicContact CG-CE1 4.15Å; L3154-L3168 HydrophobicContact CD1-CD1 4.1Å; L3154-L3168 HydrophobicContact CD1-CD2 3.84Å; L3154-L3168 HydrophobicContact CD1-CG 4.32Å; L3154-L3168 HydrophobicContact CD2-CD1 3.86Å; L3154-L3168 HydrophobicContact CG-CD1 4.3Å; L3154-I3191 HydrophobicContact CD1-CG1 4.45Å; L3154-I3191 HydrophobicContact CD2-CG2 4.31Å; L3154-Y3195 HydrophobicContact CB-CD2 4.22Å; L3154-Y3195 HydrophobicContact CB-CE2 3.66Å; L3154-Y3195 HydrophobicContact CD2-CE2 4.06Å; L3154-Y3195 WeakPolarHBondContact O-CE2 3.39Å; L3154-Y3195 PolarHBondContact O-OH 3.28Å; L3154-V3197 HydrophobicContact CD2-CG2 4Å; L3154-F3200 HydrophobicContact CD2-CE2 4.28Å; L3154-F3200 HydrophobicContact CD2-CZ 3.79Å |
| 3155 | P | 44 | Very low | 47.7 | Very low | 58.2 Ų | 58.2 | 43.9 Ų | 43.9 | 38% | 0.378 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -16.6 | -170.8 | -19 | 32 | 0 | 0 | 0 | 115.8 | L3151 I3152 C3153 Y3195 | L3151-P3155 VanDerWaalsContact O-CD 3.32Å; L3151-P3155 WeakPolarHBondContact O-CD 3.18Å; L3151-P3155 WeakPolarHBondContact O-CG 3.04Å; I3152-P3155 WeakPolarHBondContact O-CD 3.36Å; C3153-P3155 VanDerWaalsContact C-CD 3.47Å; P3155-Y3195 HydrophobicContact CB-CE2 4.33Å; P3155-Y3195 HydrophobicContact CG-CE2 4.04Å |
| 3156 | N | 43.7 | Very low | 47.7 | Very low | 48 Ų | 48 | 50 Ų | 50 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135 | -0.5 | -166 | -69.8 | -42.8 | 0 | 0 | 0 | 115.2 | L3007 K3011 Y3014 N3015 I3152 C3153 L3154 A3158 | L3007-N3156 HydrophobicContact CD2-CB 4.06Å; K3011-N3156 WeakPolarHBondContact CE-ND2 3.45Å; K3011-N3156 PolarHBondContact NZ-ND2 3.13Å; K3011-N3156 PolarHBondContact NZ-OD1 2.75Å; Y3014-N3156 HydrophobicContact CD1-CB 3.58Å; Y3014-N3156 WeakPolarHBondContact CD1-ND2 3.42Å; Y3014-N3156 WeakPolarHBondContact CD1-OD1 3.42Å; Y3014-N3156 HydrophobicContact CD2-CB 3.9Å; Y3014-N3156 HydrophobicContact CE1-CB 3.92Å; Y3014-N3156 WeakPolarHBondContact CE1-OD1 3.21Å; Y3014-N3156 HydrophobicContact CE2-CB 3.93Å; Y3014-N3156 WeakPolarHBondContact CE2-O 3.22Å; Y3014-N3156 HydrophobicContact CG-CB 3.72Å; N3015-N3156 PolarHBondContact OD1-ND2 2.99Å; I3152-N3156 PolarHBondContact O-ND2 3.43Å; C3153-N3156 PolarHBondContact O-N 3.18Å; C3153-N3156 VanDerWaalsContact O-N 3.13Å; L3154-N3156 PolarHBondContact O-N 3.25Å; L3154-N3156 VanDerWaalsContact O-N 3.14Å; N3156-A3158 PolarHBondContact O-N 2.98Å |
| 3157 | L | 45.5 | Very low | 47.6 | Very low | 22.2 Ų | 22.2 | 50.7 Ų | 50.7 | 12% | 0.116 | 27% | 0.27 | C | S | . | . | trans | -84.9 | 130.3 | 174.9 | -82 | 164.4 | 0 | 0 | 0 | 110.1 | L3007 E3109 I3112 Q3113 I3116 C3153 L3154 I3159 F3164 | L3007-L3157 HydrophobicContact CD1-CD1 4.2Å; L3007-L3157 HydrophobicContact CD1-CD2 3.73Å; L3007-L3157 HydrophobicContact CD1-CG 4.05Å; E3109-L3157 HydrophobicContact CG-CD2 3.92Å; E3109-L3157 WeakPolarHBondContact OE1-CA 3.11Å; E3109-L3157 WeakPolarHBondContact OE1-CD2 3.49Å; I3112-L3157 HydrophobicContact CG2-CD1 4.42Å; I3112-L3157 HydrophobicContact CG2-CD2 4.25Å; Q3113-L3157 HydrophobicContact CG-CD1 4.47Å; Q3113-L3157 HydrophobicContact CG-CD2 4.16Å; I3116-L3157 HydrophobicContact CD1-CD1 4.03Å; I3116-L3157 HydrophobicContact CD1-CD2 4.33Å; I3116-L3157 HydrophobicContact CD1-CG 4.47Å; C3153-L3157 HydrophobicContact CB-CD1 3.74Å; C3153-L3157 HydrophobicContact CB-CG 4.46Å; C3153-L3157 WeakPolarHBondContact O-CB 3.34Å; C3153-L3157 WeakPolarHBondContact O-CD1 3.21Å; C3153-L3157 VanDerWaalsContact O-CG 3.22Å; C3153-L3157 WeakPolarHBondContact O-CG 3.44Å; C3153-L3157 PolarHBondContact O-N 3.05Å; L3154-L3157 PolarHBondContact O-N 2.91Å; L3157-I3159 VanDerWaalsContact C-N 3.32Å; L3157-I3159 HydrophobicContact CB-CB 4.43Å; L3157-I3159 HydrophobicContact CB-CD1 3.94Å; L3157-I3159 HydrophobicContact CB-CG1 3.73Å; L3157-I3159 HydrophobicContact CD1-CD1 3.78Å; L3157-I3159 HydrophobicContact CD1-CG1 4.33Å; L3157-I3159 HydrophobicContact CD2-CD1 3.99Å; L3157-I3159 HydrophobicContact CD2-CG1 3.93Å; L3157-I3159 HydrophobicContact CG-CD1 4.13Å; L3157-I3159 HydrophobicContact CG-CG1 4.33Å; L3157-I3159 WeakPolarHBondContact O-CG1 3.23Å; L3157-I3159 PolarHBondContact O-N 3.28Å; L3157-I3159 VanDerWaalsContact O-N 3.11Å; L3157-F3164 HydrophobicContact CD1-CE1 4.46Å; L3157-F3164 HydrophobicContact CD1-CE2 4.44Å; L3157-F3164 HydrophobicContact CD1-CZ 4.44Å | ||
| 3158 | A | 43.4 | Very low | 47.6 | Very low | 68.6 Ų | 68.6 | 50 Ų | 50 | 57% | 0.567 | 27% | 0.268 | S | S | * | . | trans | -76.4 | 73.8 | 170 | 0 | 0 | 0 | 0 | 0 | 109.6 | E3109 Q3113 N3156 D3160 | E3109-A3158 PolarHBondContact OE1-N 2.86Å; Q3113-A3158 PolarHBondContact NE2-O 2.71Å; N3156-A3158 PolarHBondContact O-N 2.98Å; A3158-D3160 VanDerWaalsContact C-N 3.33Å; A3158-D3160 PolarHBondContact O-N 2.95Å; A3158-D3160 VanDerWaalsContact O-N 3.13Å | ||
| 3159 | I | 43.9 | Very low | 47.4 | Very low | 23.6 Ų | 23.6 | 49 Ų | 49 | 12% | 0.121 | 27% | 0.266 | C | S | . | . | trans | -86.6 | 81.5 | -173.2 | -61.2 | 173.4 | 0 | 0 | 0 | 110.1 | Q3113 L3154 L3157 N3161 F3164 L3165 F3200 | Q3113-I3159 HydrophobicContact CG-CD1 4.16Å; L3154-I3159 HydrophobicContact CD2-CD1 3.46Å; L3154-I3159 VanDerWaalsContact CD2-CD1 3.46Å; L3157-I3159 VanDerWaalsContact C-N 3.32Å; L3157-I3159 HydrophobicContact CB-CB 4.43Å; L3157-I3159 HydrophobicContact CB-CD1 3.94Å; L3157-I3159 HydrophobicContact CB-CG1 3.73Å; L3157-I3159 HydrophobicContact CD1-CD1 3.78Å; L3157-I3159 HydrophobicContact CD1-CG1 4.33Å; L3157-I3159 HydrophobicContact CD2-CD1 3.99Å; L3157-I3159 HydrophobicContact CD2-CG1 3.93Å; L3157-I3159 HydrophobicContact CG-CD1 4.13Å; L3157-I3159 HydrophobicContact CG-CG1 4.33Å; L3157-I3159 WeakPolarHBondContact O-CG1 3.23Å; L3157-I3159 PolarHBondContact O-N 3.28Å; L3157-I3159 VanDerWaalsContact O-N 3.11Å; I3159-N3161 HydrophobicContact CG2-CB 4.06Å; I3159-N3161 VanDerWaalsContact CG2-O 3.29Å; I3159-N3161 WeakPolarHBondContact CG2-O 3.46Å; I3159-N3161 PolarHBondContact O-N 3.26Å; I3159-F3164 HydrophobicContact CD1-CB 4.43Å; I3159-F3164 HydrophobicContact CD1-CD1 3.68Å; I3159-F3164 VanDerWaalsContact CD1-CD1 3.5Å; I3159-F3164 HydrophobicContact CD1-CD2 4.29Å; I3159-F3164 HydrophobicContact CD1-CE1 3.75Å; I3159-F3164 HydrophobicContact CD1-CE2 4.2Å; I3159-F3164 HydrophobicContact CD1-CG 4.02Å; I3159-F3164 HydrophobicContact CD1-CZ 4.06Å; I3159-F3164 HydrophobicContact CG1-CD1 4.35Å; I3159-F3164 HydrophobicContact CG1-CE1 4.18Å; I3159-F3164 HydrophobicContact CG2-CB 4.04Å; I3159-F3164 HydrophobicContact CG2-CD1 3.96Å; I3159-F3164 VanDerWaalsContact CG2-CD1 3.47Å; I3159-F3164 HydrophobicContact CG2-CE1 4.23Å; I3159-F3164 HydrophobicContact CG2-CG 4.13Å; I3159-L3165 HydrophobicContact CG2-CD1 3.89Å; I3159-L3165 HydrophobicContact CG2-CG 3.94Å; I3159-F3200 HydrophobicContact CB-CD1 4.21Å; I3159-F3200 HydrophobicContact CB-CE1 3.92Å; I3159-F3200 HydrophobicContact CD1-CE1 3.83Å; I3159-F3200 HydrophobicContact CD1-CZ 3.7Å; I3159-F3200 HydrophobicContact CG1-CE1 4.22Å; I3159-F3200 HydrophobicContact CG1-CZ 4.33Å; I3159-F3200 HydrophobicContact CG2-CE1 4.05Å; I3159-F3200 WeakPolarHBondContact O-CE1 3.47Å | ||
| 3160 | D | 44.1 | Very low | 47.2 | Very low | 150.6 Ų | 150.6 | 51.6 Ų | 51.6 | 81% | 0.805 | 28% | 0.279 | S | S | * | . | trans | -75.8 | -4.2 | 162.2 | -88 | -29.9 | 0 | 0 | 0 | 112.3 | A3158 A3162 | A3158-D3160 VanDerWaalsContact C-N 3.33Å; A3158-D3160 PolarHBondContact O-N 2.95Å; A3158-D3160 VanDerWaalsContact O-N 3.13Å; D3160-A3162 VanDerWaalsContact C-N 3.33Å; D3160-A3162 PolarHBondContact O-N 3.15Å; D3160-A3162 VanDerWaalsContact O-N 3.12Å | ||
| 3161 | N | 46.7 | Very low | 47.1 | Very low | 75.4 Ų | 75.4 | 51 Ų | 51 | 40% | 0.403 | 28% | 0.276 | S | S | . | . | trans | -83 | 95.8 | -178.4 | -131.3 | -19 | 0 | 0 | 0 | 112 | Q3113 I3159 E3163 F3164 L3165 | Q3113-N3161 PolarHBondContact OE1-ND2 3.22Å; I3159-N3161 HydrophobicContact CG2-CB 4.06Å; I3159-N3161 VanDerWaalsContact CG2-O 3.29Å; I3159-N3161 WeakPolarHBondContact CG2-O 3.46Å; I3159-N3161 PolarHBondContact O-N 3.26Å; N3161-E3163 PolarHBondContact O-N 3.26Å; N3161-E3163 VanDerWaalsContact O-N 3.11Å; N3161-E3163 WeakPolarHBondContact OD1-CB 3.47Å; N3161-E3163 PolarHBondContact OD1-N 3.08Å; N3161-F3164 HydrophobicContact CB-CB 4.03Å; N3161-F3164 WeakPolarHBondContact O-CB 3.37Å; N3161-F3164 PolarHBondContact O-N 3.1Å; N3161-F3164 VanDerWaalsContact O-N 3.13Å; N3161-L3165 PolarHBondContact O-N 2.94Å; N3161-L3165 VanDerWaalsContact O-N 3.07Å | ||
| 3162 | A | 44.9 | Very low | 47 | Very low | 62 Ų | 62 | 51 Ų | 51 | 51% | 0.512 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -54.9 | -26 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D3160 L3165 R3166 | D3160-A3162 VanDerWaalsContact C-N 3.33Å; D3160-A3162 PolarHBondContact O-N 3.15Å; D3160-A3162 VanDerWaalsContact O-N 3.12Å; A3162-L3165 PolarHBondContact O-N 2.93Å; A3162-R3166 VanDerWaalsContact O-CB 3.28Å; A3162-R3166 WeakPolarHBondContact O-CB 3.22Å; A3162-R3166 PolarHBondContact O-N 3.08Å |
| 3163 | E | 48.2 | Very low | 46.7 | Very low | 113.2 Ų | 113.2 | 51.9 Ų | 51.9 | 53% | 0.529 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.7 | -41 | 175.1 | -152.9 | -177.5 | 177.7 | 0 | 0 | 112.2 | L3117 K3121 N3161 R3166 M3167 | L3117-E3163 HydrophobicContact CD1-CG 4.38Å; L3117-E3163 HydrophobicContact CD2-CG 4.43Å; K3121-E3163 VanDerWaalsContact CE-OE1 3.28Å; K3121-E3163 WeakPolarHBondContact CE-OE1 3.48Å; K3121-E3163 IonicContact NZ-OE1 3.45Å; K3121-E3163 PolarHBondContact NZ-OE1 3.26Å; N3161-E3163 PolarHBondContact O-N 3.26Å; N3161-E3163 VanDerWaalsContact O-N 3.11Å; N3161-E3163 WeakPolarHBondContact OD1-CB 3.47Å; N3161-E3163 PolarHBondContact OD1-N 3.08Å; E3163-R3166 WeakPolarHBondContact O-CB 3.46Å; E3163-R3166 PolarHBondContact O-N 3.08Å; E3163-M3167 HydrophobicContact CG-CE 4.17Å; E3163-M3167 VanDerWaalsContact O-CB 3.27Å; E3163-M3167 WeakPolarHBondContact O-CB 3.45Å; E3163-M3167 WeakPolarHBondContact O-CG 3.34Å; E3163-M3167 PolarHBondContact O-N 3.09Å |
| 3164 | F | 49.2 | Very low | 46.5 | Very low | 8.6 Ų | 8.6 | 54.1 Ų | 54.1 | 4% | 0.038 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.5 | -45.9 | 178.1 | -173 | -92.1 | 0 | 0 | 0 | 111.1 | I3116 L3117 I3120 L3154 L3157 I3159 N3161 R3166 M3167 L3168 | I3116-F3164 HydrophobicContact CB-CE2 3.99Å; I3116-F3164 HydrophobicContact CB-CZ 4.2Å; I3116-F3164 HydrophobicContact CD1-CE2 4.36Å; I3116-F3164 HydrophobicContact CD1-CZ 4.12Å; I3116-F3164 HydrophobicContact CG2-CE2 3.75Å; I3116-F3164 VanDerWaalsContact CG2-CE2 3.45Å; I3116-F3164 HydrophobicContact CG2-CZ 3.88Å; I3116-F3164 VanDerWaalsContact CG2-CZ 3.49Å; L3117-F3164 HydrophobicContact CB-CE2 4.47Å; L3117-F3164 HydrophobicContact CD1-CB 4.23Å; L3117-F3164 HydrophobicContact CD1-CD2 4.11Å; L3117-F3164 HydrophobicContact CG-CD2 4.13Å; L3117-F3164 HydrophobicContact CG-CE2 4.48Å; I3120-F3164 HydrophobicContact CD1-CD2 4.42Å; I3120-F3164 HydrophobicContact CD1-CE2 3.93Å; I3120-F3164 HydrophobicContact CD1-CZ 3.85Å; L3154-F3164 HydrophobicContact CD1-CE1 3.99Å; L3154-F3164 HydrophobicContact CD1-CZ 4.25Å; L3154-F3164 HydrophobicContact CG-CE1 4.15Å; L3157-F3164 HydrophobicContact CD1-CE1 4.46Å; L3157-F3164 HydrophobicContact CD1-CE2 4.44Å; L3157-F3164 HydrophobicContact CD1-CZ 4.44Å; I3159-F3164 HydrophobicContact CD1-CB 4.43Å; I3159-F3164 HydrophobicContact CD1-CD1 3.68Å; I3159-F3164 VanDerWaalsContact CD1-CD1 3.5Å; I3159-F3164 HydrophobicContact CD1-CD2 4.29Å; I3159-F3164 HydrophobicContact CD1-CE1 3.75Å; I3159-F3164 HydrophobicContact CD1-CE2 4.2Å; I3159-F3164 HydrophobicContact CD1-CG 4.02Å; I3159-F3164 HydrophobicContact CD1-CZ 4.06Å; I3159-F3164 HydrophobicContact CG1-CD1 4.35Å; I3159-F3164 HydrophobicContact CG1-CE1 4.18Å; I3159-F3164 HydrophobicContact CG2-CB 4.04Å; I3159-F3164 HydrophobicContact CG2-CD1 3.96Å; I3159-F3164 VanDerWaalsContact CG2-CD1 3.47Å; I3159-F3164 HydrophobicContact CG2-CE1 4.23Å; I3159-F3164 HydrophobicContact CG2-CG 4.13Å; N3161-F3164 HydrophobicContact CB-CB 4.03Å; N3161-F3164 WeakPolarHBondContact O-CB 3.37Å; N3161-F3164 PolarHBondContact O-N 3.1Å; N3161-F3164 VanDerWaalsContact O-N 3.13Å; F3164-R3166 PolarHBondContact O-N 2.99Å; F3164-M3167 HydrophobicContact CD2-CE 4.43Å; F3164-M3167 PolarHBondContact O-N 3.12Å; F3164-M3167 VanDerWaalsContact O-N 3.11Å; F3164-L3168 HydrophobicContact CD1-CD1 3.82Å; F3164-L3168 HydrophobicContact CD1-CG 4.25Å; F3164-L3168 HydrophobicContact CE1-CD1 3.57Å; F3164-L3168 VanDerWaalsContact CE1-CD1 3.44Å; F3164-L3168 HydrophobicContact CE1-CD2 4.4Å; F3164-L3168 HydrophobicContact CE1-CG 4.16Å; F3164-L3168 HydrophobicContact CZ-CD1 4.23Å; F3164-L3168 WeakPolarHBondContact O-CG 3.49Å; F3164-L3168 PolarHBondContact O-N 3.12Å; F3164-L3168 VanDerWaalsContact O-N 3.09Å |
| 3165 | L | 48.4 | Very low | 45.9 | Very low | 28.6 Ų | 28.6 | 59.1 Ų | 59.1 | 15% | 0.15 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 175.5 | -114.6 | 155.4 | 0 | 0 | 0 | 111.9 | I3159 N3161 A3162 M3167 L3168 I3169 F3200 K3203 Q3204 | I3159-L3165 HydrophobicContact CG2-CD1 3.89Å; I3159-L3165 HydrophobicContact CG2-CG 3.94Å; N3161-L3165 PolarHBondContact O-N 2.94Å; N3161-L3165 VanDerWaalsContact O-N 3.07Å; A3162-L3165 PolarHBondContact O-N 2.93Å; L3165-M3167 VanDerWaalsContact C-N 3.3Å; L3165-M3167 PolarHBondContact O-N 3.04Å; L3165-L3168 WeakPolarHBondContact O-CB 3.5Å; L3165-L3168 PolarHBondContact O-N 3.06Å; L3165-I3169 HydrophobicContact CD2-CD1 4.2Å; L3165-I3169 WeakPolarHBondContact O-CB 3.2Å; L3165-I3169 VanDerWaalsContact O-CD1 3.22Å; L3165-I3169 WeakPolarHBondContact O-CD1 3.37Å; L3165-I3169 VanDerWaalsContact O-CG1 3.25Å; L3165-I3169 WeakPolarHBondContact O-CG1 3.25Å; L3165-I3169 PolarHBondContact O-N 2.98Å; L3165-F3200 HydrophobicContact CD1-CB 4.24Å; L3165-F3200 HydrophobicContact CD1-CD1 4.08Å; L3165-F3200 HydrophobicContact CD1-CE1 4.16Å; L3165-F3200 HydrophobicContact CD2-CB 4.27Å; L3165-F3200 HydrophobicContact CD2-CD1 3.5Å; L3165-F3200 HydrophobicContact CD2-CE1 4.04Å; L3165-F3200 HydrophobicContact CD2-CG 4.3Å; L3165-F3200 HydrophobicContact CG-CD1 4.2Å; L3165-F3200 HydrophobicContact CG-CE1 4.06Å; L3165-K3203 PolarHBondContact O-NZ 3.29Å; L3165-Q3204 VanDerWaalsContact CD1-NE2 3.28Å |
| 3166 | R | 48.7 | Very low | 45.7 | Very low | 156.6 Ų | 156.6 | 61.9 Ų | 61.9 | 59% | 0.591 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -66.2 | -37.5 | 174.2 | -174 | 177.8 | -179.4 | -167.1 | 0.2 | 112.1 | A3162 E3163 F3164 I3169 N3170 C3206 | A3162-R3166 VanDerWaalsContact O-CB 3.28Å; A3162-R3166 WeakPolarHBondContact O-CB 3.22Å; A3162-R3166 PolarHBondContact O-N 3.08Å; E3163-R3166 WeakPolarHBondContact O-CB 3.46Å; E3163-R3166 PolarHBondContact O-N 3.08Å; F3164-R3166 PolarHBondContact O-N 2.99Å; R3166-I3169 PolarHBondContact O-N 3.13Å; R3166-N3170 VanDerWaalsContact O-CB 3.28Å; R3166-N3170 WeakPolarHBondContact O-CB 3.34Å; R3166-N3170 VanDerWaalsContact O-CG 3.3Å; R3166-N3170 PolarHBondContact O-N 3.16Å; R3166-N3170 PolarHBondContact O-ND2 3.22Å; R3166-N3170 PolarHBondContact O-OD1 2.92Å; R3166-C3206 HydrophobicContact CB-CB 4.2Å; R3166-C3206 HydrophobicContact CG-CB 4.2Å |
| 3167 | M | 51.6 | Low | 45.5 | Very low | 24.2 Ų | 24.2 | 60.2 Ų | 60.2 | 12% | 0.119 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.3 | -38.4 | 176.4 | -102.1 | -166.1 | -29.7 | 0 | 0 | 112.9 | L3117 I3120 K3121 L3124 E3163 F3164 L3165 I3169 N3170 L3171 | L3117-M3167 HydrophobicContact CB-CE 4.27Å; L3117-M3167 HydrophobicContact CD1-CE 3.72Å; L3117-M3167 HydrophobicContact CD1-SD 4.36Å; L3117-M3167 HydrophobicContact CD2-CE 4.05Å; L3117-M3167 HydrophobicContact CD2-CG 4.18Å; L3117-M3167 HydrophobicContact CD2-SD 3.93Å; L3117-M3167 HydrophobicContact CG-CE 3.63Å; L3117-M3167 HydrophobicContact CG-SD 4Å; L3117-M3167 WeakPolarHBondContact O-CE 3.47Å; I3120-M3167 HydrophobicContact CB-CE 3.9Å; I3120-M3167 HydrophobicContact CD1-CE 4.33Å; I3120-M3167 HydrophobicContact CG2-CB 4.02Å; I3120-M3167 HydrophobicContact CG2-CE 3.87Å; I3120-M3167 VanDerWaalsContact CG2-CE 3.46Å; I3120-M3167 HydrophobicContact CG2-CG 4.05Å; I3120-M3167 HydrophobicContact CG2-SD 4Å; K3121-M3167 HydrophobicContact CD-CE 4.38Å; K3121-M3167 HydrophobicContact CD-SD 4.22Å; K3121-M3167 WeakPolarHBondContact CE-SD 3.22Å; K3121-M3167 HydrophobicContact CG-CE 3.77Å; K3121-M3167 HydrophobicContact CG-SD 3.73Å; K3121-M3167 WeakPolarHBondContact CG-SD 3.4Å; L3124-M3167 HydrophobicContact CD1-CB 4.25Å; L3124-M3167 HydrophobicContact CD1-CE 3.45Å; L3124-M3167 VanDerWaalsContact CD1-CE 3.45Å; L3124-M3167 HydrophobicContact CD1-CG 4.18Å; L3124-M3167 HydrophobicContact CD1-SD 3.74Å; E3163-M3167 HydrophobicContact CG-CE 4.17Å; E3163-M3167 VanDerWaalsContact O-CB 3.27Å; E3163-M3167 WeakPolarHBondContact O-CB 3.45Å; E3163-M3167 WeakPolarHBondContact O-CG 3.34Å; E3163-M3167 PolarHBondContact O-N 3.09Å; F3164-M3167 HydrophobicContact CD2-CE 4.43Å; F3164-M3167 PolarHBondContact O-N 3.12Å; F3164-M3167 VanDerWaalsContact O-N 3.11Å; L3165-M3167 VanDerWaalsContact C-N 3.3Å; L3165-M3167 PolarHBondContact O-N 3.04Å; M3167-I3169 VanDerWaalsContact C-N 3.29Å; M3167-I3169 PolarHBondContact O-N 2.96Å; M3167-N3170 CarbonylContact O-C 3.52Å; M3167-N3170 PolarHBondContact O-N 3.28Å; M3167-L3171 WeakPolarHBondContact O-CB 3.37Å; M3167-L3171 PolarHBondContact O-N 3.25Å |
| 3168 | L | 49.9 | Very low | 45.4 | Very low | 20.4 Ų | 20.4 | 62 Ų | 62 | 11% | 0.107 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 170.5 | -78.7 | 172.1 | 0 | 0 | 0 | 111.9 | I3120 I3150 L3154 F3164 L3165 L3171 S3172 | I3120-L3168 HydrophobicContact CD1-CD2 3.91Å; I3120-L3168 HydrophobicContact CD1-CG 4.33Å; I3150-L3168 HydrophobicContact CD1-CD2 3.89Å; I3150-L3168 HydrophobicContact CG1-CD2 3.87Å; I3150-L3168 HydrophobicContact CG2-CD2 4.46Å; L3154-L3168 HydrophobicContact CD1-CD1 4.1Å; L3154-L3168 HydrophobicContact CD1-CD2 3.84Å; L3154-L3168 HydrophobicContact CD1-CG 4.32Å; L3154-L3168 HydrophobicContact CD2-CD1 3.86Å; L3154-L3168 HydrophobicContact CG-CD1 4.3Å; F3164-L3168 HydrophobicContact CD1-CD1 3.82Å; F3164-L3168 HydrophobicContact CD1-CG 4.25Å; F3164-L3168 HydrophobicContact CE1-CD1 3.57Å; F3164-L3168 VanDerWaalsContact CE1-CD1 3.44Å; F3164-L3168 HydrophobicContact CE1-CD2 4.4Å; F3164-L3168 HydrophobicContact CE1-CG 4.16Å; F3164-L3168 HydrophobicContact CZ-CD1 4.23Å; F3164-L3168 WeakPolarHBondContact O-CG 3.49Å; F3164-L3168 PolarHBondContact O-N 3.12Å; F3164-L3168 VanDerWaalsContact O-N 3.09Å; L3165-L3168 WeakPolarHBondContact O-CB 3.5Å; L3165-L3168 PolarHBondContact O-N 3.06Å; L3168-L3171 WeakPolarHBondContact O-CB 3.33Å; L3168-L3171 PolarHBondContact O-N 3.43Å; L3168-S3172 WeakPolarHBondContact O-CB 3.46Å; L3168-S3172 PolarHBondContact O-N 3.25Å; L3168-S3172 PolarHBondContact O-OG 3.01Å |
| 3169 | I | 46.7 | Very low | 45.1 | Very low | 25.4 Ų | 25.4 | 66.5 Ų | 66.5 | 13% | 0.13 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.4 | -43.8 | 175.9 | -72.6 | 148.3 | 0 | 0 | 0 | 110.5 | L3165 R3166 M3167 L3171 S3172 V3173 F3201 K3203 C3206 F3210 | L3165-I3169 HydrophobicContact CD2-CD1 4.2Å; L3165-I3169 WeakPolarHBondContact O-CB 3.2Å; L3165-I3169 VanDerWaalsContact O-CD1 3.22Å; L3165-I3169 WeakPolarHBondContact O-CD1 3.37Å; L3165-I3169 VanDerWaalsContact O-CG1 3.25Å; L3165-I3169 WeakPolarHBondContact O-CG1 3.25Å; L3165-I3169 PolarHBondContact O-N 2.98Å; R3166-I3169 PolarHBondContact O-N 3.13Å; M3167-I3169 VanDerWaalsContact C-N 3.29Å; M3167-I3169 PolarHBondContact O-N 2.96Å; I3169-L3171 VanDerWaalsContact C-N 3.32Å; I3169-L3171 PolarHBondContact O-N 3.01Å; I3169-S3172 VanDerWaalsContact CA-OG 3.28Å; I3169-S3172 WeakPolarHBondContact CA-OG 3.36Å; I3169-S3172 CarbonylContact O-C 3.52Å; I3169-S3172 WeakPolarHBondContact O-CA 3.11Å; I3169-S3172 WeakPolarHBondContact O-CB 3.49Å; I3169-S3172 PolarHBondContact O-N 3.1Å; I3169-S3172 PolarHBondContact O-OG 2.97Å; I3169-S3172 VanDerWaalsContact O-OG 3.13Å; I3169-V3173 HydrophobicContact CG2-CG2 4.17Å; I3169-V3173 VanDerWaalsContact O-CB 3.3Å; I3169-V3173 WeakPolarHBondContact O-CB 3.37Å; I3169-V3173 VanDerWaalsContact O-CG2 3.26Å; I3169-V3173 WeakPolarHBondContact O-CG2 3.41Å; I3169-V3173 PolarHBondContact O-N 3.08Å; I3169-F3201 HydrophobicContact CD1-CD1 4.41Å; I3169-F3201 HydrophobicContact CD1-CE1 3.66Å; I3169-F3201 HydrophobicContact CD1-CZ 4.19Å; I3169-F3201 HydrophobicContact CG1-CE1 4.14Å; I3169-F3201 HydrophobicContact CG1-CZ 4.25Å; I3169-K3203 HydrophobicContact CB-CB 4.43Å; I3169-K3203 HydrophobicContact CB-CD 4.08Å; I3169-K3203 HydrophobicContact CD1-CB 4.46Å; I3169-K3203 HydrophobicContact CD1-CD 3.94Å; I3169-K3203 HydrophobicContact CG1-CB 3.71Å; I3169-K3203 HydrophobicContact CG1-CD 3.74Å; I3169-K3203 HydrophobicContact CG1-CG 4.36Å; I3169-K3203 HydrophobicContact CG2-CB 4.09Å; I3169-K3203 HydrophobicContact CG2-CD 4.23Å; I3169-C3206 HydrophobicContact CD1-CB 3.75Å; I3169-C3206 VanDerWaalsContact CD1-CB 3.44Å; I3169-C3206 WeakPolarHBondContact CD1-SG 3.35Å; I3169-F3210 HydrophobicContact CG2-CB 4.3Å |
| 3170 | N | 47.2 | Very low | 44.8 | Very low | 61 Ų | 61 | 69.4 Ų | 69.4 | 33% | 0.326 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 175.5 | -72.3 | -9.7 | 0 | 0 | 0 | 111.7 | L3124 R3166 M3167 S3172 V3173 I3174 | L3124-N3170 HydrophobicContact CD1-CB 4.28Å; L3124-N3170 HydrophobicContact CD2-CB 4.1Å; R3166-N3170 VanDerWaalsContact O-CB 3.28Å; R3166-N3170 WeakPolarHBondContact O-CB 3.34Å; R3166-N3170 VanDerWaalsContact O-CG 3.3Å; R3166-N3170 PolarHBondContact O-N 3.16Å; R3166-N3170 PolarHBondContact O-ND2 3.22Å; R3166-N3170 PolarHBondContact O-OD1 2.92Å; M3167-N3170 CarbonylContact O-C 3.52Å; M3167-N3170 PolarHBondContact O-N 3.28Å; N3170-S3172 VanDerWaalsContact C-N 3.31Å; N3170-S3172 PolarHBondContact O-N 3.28Å; N3170-V3173 CarbonylContact O-C 3.59Å; N3170-V3173 WeakPolarHBondContact O-CA 3.37Å; N3170-V3173 PolarHBondContact O-N 3.07Å; N3170-V3173 VanDerWaalsContact O-N 3.15Å; N3170-I3174 HydrophobicContact CB-CD1 3.83Å; N3170-I3174 HydrophobicContact CB-CG1 4.31Å; N3170-I3174 VanDerWaalsContact CG-CD1 3.45Å; N3170-I3174 VanDerWaalsContact O-CB 3.26Å; N3170-I3174 WeakPolarHBondContact O-CB 3.38Å; N3170-I3174 VanDerWaalsContact O-CD1 3.29Å; N3170-I3174 WeakPolarHBondContact O-CD1 3.4Å; N3170-I3174 VanDerWaalsContact O-CG1 3.28Å; N3170-I3174 WeakPolarHBondContact O-CG1 3.37Å; N3170-I3174 PolarHBondContact O-N 3.17Å; N3170-I3174 WeakPolarHBondContact OD1-CD1 3.3Å |
| 3171 | L | 48.4 | Very low | 44.6 | Very low | 7 Ų | 7 | 63.8 Ų | 63.8 | 4% | 0.037 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.2 | -40.9 | 173 | -97 | 164.4 | 0 | 0 | 0 | 112.3 | I3120 A3123 L3124 V3146 M3167 L3168 I3169 V3173 L3177 Y3184 | I3120-L3171 HydrophobicContact CB-CD1 4.15Å; I3120-L3171 HydrophobicContact CD1-CD1 4.34Å; I3120-L3171 HydrophobicContact CG1-CD1 3.75Å; I3120-L3171 HydrophobicContact CG2-CD1 3.53Å; I3120-L3171 VanDerWaalsContact CG2-CD1 3.49Å; I3120-L3171 HydrophobicContact CG2-CG 4.17Å; A3123-L3171 HydrophobicContact CB-CD2 4.02Å; L3124-L3171 HydrophobicContact CD1-CD1 4.17Å; L3124-L3171 HydrophobicContact CD1-CD2 4.4Å; L3124-L3171 HydrophobicContact CD1-CG 4.03Å; L3124-L3171 HydrophobicContact CD2-CD1 4.44Å; L3124-L3171 HydrophobicContact CD2-CD2 3.78Å; L3124-L3171 HydrophobicContact CD2-CG 3.84Å; L3124-L3171 HydrophobicContact CG-CD1 3.96Å; L3124-L3171 HydrophobicContact CG-CD2 4.03Å; L3124-L3171 HydrophobicContact CG-CG 4.06Å; V3146-L3171 HydrophobicContact CG1-CD1 4.25Å; V3146-L3171 HydrophobicContact CG1-CD2 4.01Å; M3167-L3171 WeakPolarHBondContact O-CB 3.37Å; M3167-L3171 PolarHBondContact O-N 3.25Å; L3168-L3171 WeakPolarHBondContact O-CB 3.33Å; L3168-L3171 PolarHBondContact O-N 3.43Å; I3169-L3171 VanDerWaalsContact C-N 3.32Å; I3169-L3171 PolarHBondContact O-N 3.01Å; L3171-V3173 VanDerWaalsContact C-N 3.31Å; L3171-V3173 PolarHBondContact O-N 3.01Å; L3171-V3173 VanDerWaalsContact O-N 3.16Å; L3171-L3177 HydrophobicContact CD2-CD1 3.76Å; L3171-L3177 HydrophobicContact CD2-CD2 3.9Å; L3171-L3177 HydrophobicContact CD2-CG 4.33Å; L3171-L3177 HydrophobicContact CG-CD1 4.08Å; L3171-Y3184 HydrophobicContact CD2-CE2 4.19Å; L3171-Y3184 PolarHBondContact O-OH 3.15Å |
| 3172 | S | 45.5 | Very low | 44.3 | Very low | 39.8 Ų | 39.8 | 69.2 Ų | 69.2 | 28% | 0.278 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -77.2 | -13.6 | -179.6 | 45.5 | 0 | 0 | 0 | 0 | 114.4 | L3168 I3169 N3170 I3178 Y3184 | L3168-S3172 WeakPolarHBondContact O-CB 3.46Å; L3168-S3172 PolarHBondContact O-N 3.25Å; L3168-S3172 PolarHBondContact O-OG 3.01Å; I3169-S3172 VanDerWaalsContact CA-OG 3.28Å; I3169-S3172 WeakPolarHBondContact CA-OG 3.36Å; I3169-S3172 CarbonylContact O-C 3.52Å; I3169-S3172 WeakPolarHBondContact O-CA 3.11Å; I3169-S3172 WeakPolarHBondContact O-CB 3.49Å; I3169-S3172 PolarHBondContact O-N 3.1Å; I3169-S3172 PolarHBondContact O-OG 2.97Å; I3169-S3172 VanDerWaalsContact O-OG 3.13Å; N3170-S3172 VanDerWaalsContact C-N 3.31Å; N3170-S3172 PolarHBondContact O-N 3.28Å; S3172-I3178 WeakPolarHBondContact O-CD1 3.38Å; S3172-Y3184 VanDerWaalsContact CA-OH 3.31Å; S3172-Y3184 WeakPolarHBondContact CA-OH 3.26Å; S3172-Y3184 PolarHBondContact N-OH 3Å |
| 3173 | V | 42.6 | Very low | 44.1 | Very low | 53.4 Ų | 53.4 | 70.4 Ų | 70.4 | 32% | 0.324 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -110.8 | -23 | -175.5 | 173.4 | 0 | 0 | 0 | 0 | 112.9 | I3169 N3170 L3171 Y3175 T3205 F3210 V3213 | I3169-V3173 HydrophobicContact CG2-CG2 4.17Å; I3169-V3173 VanDerWaalsContact O-CB 3.3Å; I3169-V3173 WeakPolarHBondContact O-CB 3.37Å; I3169-V3173 VanDerWaalsContact O-CG2 3.26Å; I3169-V3173 WeakPolarHBondContact O-CG2 3.41Å; I3169-V3173 PolarHBondContact O-N 3.08Å; N3170-V3173 CarbonylContact O-C 3.59Å; N3170-V3173 WeakPolarHBondContact O-CA 3.37Å; N3170-V3173 PolarHBondContact O-N 3.07Å; N3170-V3173 VanDerWaalsContact O-N 3.15Å; L3171-V3173 VanDerWaalsContact C-N 3.31Å; L3171-V3173 PolarHBondContact O-N 3.01Å; L3171-V3173 VanDerWaalsContact O-N 3.16Å; V3173-Y3175 PolarHBondContact O-N 3.11Å; V3173-Y3175 VanDerWaalsContact O-N 3.1Å; V3173-T3205 HydrophobicContact CG1-CG2 4.12Å; V3173-F3210 HydrophobicContact CG2-CD2 4.36Å; V3173-V3213 HydrophobicContact CG1-CB 4.13Å; V3173-V3213 HydrophobicContact CG1-CG1 4.19Å; V3173-V3213 HydrophobicContact CG1-CG2 3.77Å |
| 3174 | I | 44.7 | Very low | 43.8 | Very low | 49.6 Ų | 49.6 | 67 Ų | 67 | 25% | 0.254 | 32% | 0.318 | S | S | . | . | trans | -68.7 | 103.8 | -178 | -71.3 | 166.4 | 0 | 0 | 0 | 111.3 | L3124 V3127 N3170 H3176 L3177 I3178 | L3124-I3174 HydrophobicContact CD2-CD1 3.41Å; L3124-I3174 VanDerWaalsContact CD2-CD1 3.42Å; L3124-I3174 HydrophobicContact CG-CD1 3.71Å; V3127-I3174 HydrophobicContact CB-CD1 4.41Å; V3127-I3174 HydrophobicContact CB-CG2 4.31Å; V3127-I3174 HydrophobicContact CG1-CB 4.46Å; V3127-I3174 HydrophobicContact CG1-CD1 4.47Å; V3127-I3174 HydrophobicContact CG1-CG2 3.58Å; N3170-I3174 HydrophobicContact CB-CD1 3.83Å; N3170-I3174 HydrophobicContact CB-CG1 4.31Å; N3170-I3174 VanDerWaalsContact CG-CD1 3.45Å; N3170-I3174 VanDerWaalsContact O-CB 3.26Å; N3170-I3174 WeakPolarHBondContact O-CB 3.38Å; N3170-I3174 VanDerWaalsContact O-CD1 3.29Å; N3170-I3174 WeakPolarHBondContact O-CD1 3.4Å; N3170-I3174 VanDerWaalsContact O-CG1 3.28Å; N3170-I3174 WeakPolarHBondContact O-CG1 3.37Å; N3170-I3174 PolarHBondContact O-N 3.17Å; N3170-I3174 WeakPolarHBondContact OD1-CD1 3.3Å; I3174-H3176 VanDerWaalsContact C-N 3.28Å; I3174-H3176 HydrophobicContact CG2-CB 4.36Å; I3174-H3176 PolarHBondContact O-N 3.4Å; I3174-H3176 VanDerWaalsContact O-N 3.13Å; I3174-L3177 HydrophobicContact CB-CB 4.29Å; I3174-L3177 HydrophobicContact CB-CD1 4.03Å; I3174-L3177 HydrophobicContact CD1-CD1 4.02Å; I3174-L3177 HydrophobicContact CG2-CB 4.38Å; I3174-L3177 HydrophobicContact CG2-CD1 4.16Å; I3174-L3177 VanDerWaalsContact O-CB 3.28Å; I3174-L3177 WeakPolarHBondContact O-CB 3.22Å; I3174-L3177 PolarHBondContact O-N 2.93Å; I3174-L3177 VanDerWaalsContact O-N 3.16Å; I3174-I3178 PolarHBondContact O-N 3.12Å | ||
| 3175 | Y | 37.6 | Very low | 43.4 | Very low | 145.6 Ų | 145.6 | 70.1 Ų | 70.1 | 57% | 0.571 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -71 | -24.2 | -168.4 | -144.6 | -91.2 | 0 | 0 | 0 | 114.1 | V3127 N3128 V3173 L3177 I3178 Y3179 | V3127-Y3175 HydrophobicContact CG1-CD1 3.82Å; V3127-Y3175 HydrophobicContact CG1-CG 3.99Å; N3128-Y3175 WeakPolarHBondContact OD1-CE1 3.41Å; N3128-Y3175 WeakPolarHBondContact OD1-CE2 3.37Å; N3128-Y3175 PolarHBondContact OD1-OH 3.48Å; N3128-Y3175 VanDerWaalsContact OD1-OH 3.11Å; V3173-Y3175 PolarHBondContact O-N 3.11Å; V3173-Y3175 VanDerWaalsContact O-N 3.1Å; Y3175-L3177 WeakPolarHBondContact O-CB 3.37Å; Y3175-L3177 PolarHBondContact O-N 3.11Å; Y3175-I3178 PolarHBondContact O-N 3.17Å; Y3175-Y3179 HydrophobicContact CD1-CD2 4.49Å; Y3175-Y3179 AromaticContact CE1-CD2 3.97Å; Y3175-Y3179 HydrophobicContact CE1-CD2 4.1Å; Y3175-Y3179 HydrophobicContact CE1-CE2 4.27Å; Y3175-Y3179 PolarHBondContact O-N 3.35Å |
| 3176 | H | 39.8 | Very low | 43 | Very low | 115.8 Ų | 115.8 | 74.2 Ų | 74.2 | 54% | 0.536 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -74 | -25.1 | 176.8 | -89.3 | 38 | 0 | 0 | 0 | 113.6 | V3127 I3174 I3178 Y3179 T3180 | V3127-H3176 HydrophobicContact CG1-CB 3.82Å; I3174-H3176 VanDerWaalsContact C-N 3.28Å; I3174-H3176 HydrophobicContact CG2-CB 4.36Å; I3174-H3176 PolarHBondContact O-N 3.4Å; I3174-H3176 VanDerWaalsContact O-N 3.13Å; H3176-I3178 VanDerWaalsContact C-N 3.31Å; H3176-I3178 PolarHBondContact O-N 3.09Å; H3176-I3178 VanDerWaalsContact O-N 3.16Å; H3176-Y3179 PolarHBondContact O-N 3.23Å; H3176-T3180 PolarHBondContact O-N 3.38Å; H3176-T3180 PolarHBondContact O-OG1 3.34Å |
| 3177 | L | 39.2 | Very low | 42.6 | Very low | 12.4 Ų | 12.4 | 67.6 Ų | 67.6 | 7% | 0.065 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.4 | -31.1 | -177.3 | -120.6 | 150.6 | 0 | 0 | 0 | 113.6 | V3127 F3143 L3171 I3174 Y3175 Y3179 Y3184 | V3127-L3177 HydrophobicContact CB-CD1 4.22Å; V3127-L3177 HydrophobicContact CB-CD2 4.5Å; V3127-L3177 HydrophobicContact CB-CG 4.01Å; V3127-L3177 HydrophobicContact CG1-CB 4.49Å; V3127-L3177 HydrophobicContact CG1-CD1 4.03Å; V3127-L3177 VanDerWaalsContact CG1-CD1 3.49Å; V3127-L3177 HydrophobicContact CG1-CD2 4.4Å; V3127-L3177 HydrophobicContact CG1-CG 4.09Å; V3127-L3177 VanDerWaalsContact CG1-CG 3.44Å; V3127-L3177 HydrophobicContact CG2-CD1 3.81Å; V3127-L3177 HydrophobicContact CG2-CD2 3.39Å; V3127-L3177 HydrophobicContact CG2-CG 4.03Å; F3143-L3177 HydrophobicContact CD1-CD2 3.65Å; F3143-L3177 HydrophobicContact CD1-CG 4.28Å; F3143-L3177 HydrophobicContact CD2-CD2 4.21Å; F3143-L3177 HydrophobicContact CE1-CD1 4.15Å; F3143-L3177 HydrophobicContact CE1-CD2 3.36Å; F3143-L3177 HydrophobicContact CE1-CG 3.82Å; F3143-L3177 HydrophobicContact CE2-CD2 4.08Å; F3143-L3177 HydrophobicContact CE2-CG 4.31Å; F3143-L3177 HydrophobicContact CG-CD2 4.12Å; F3143-L3177 HydrophobicContact CZ-CD1 4.43Å; F3143-L3177 HydrophobicContact CZ-CD2 3.64Å; F3143-L3177 HydrophobicContact CZ-CG 4.01Å; L3171-L3177 HydrophobicContact CD2-CD1 3.76Å; L3171-L3177 HydrophobicContact CD2-CD2 3.9Å; L3171-L3177 HydrophobicContact CD2-CG 4.33Å; L3171-L3177 HydrophobicContact CG-CD1 4.08Å; I3174-L3177 HydrophobicContact CB-CB 4.29Å; I3174-L3177 HydrophobicContact CB-CD1 4.03Å; I3174-L3177 HydrophobicContact CD1-CD1 4.02Å; I3174-L3177 HydrophobicContact CG2-CB 4.38Å; I3174-L3177 HydrophobicContact CG2-CD1 4.16Å; I3174-L3177 VanDerWaalsContact O-CB 3.28Å; I3174-L3177 WeakPolarHBondContact O-CB 3.22Å; I3174-L3177 PolarHBondContact O-N 2.93Å; I3174-L3177 VanDerWaalsContact O-N 3.16Å; Y3175-L3177 WeakPolarHBondContact O-CB 3.37Å; Y3175-L3177 PolarHBondContact O-N 3.11Å; L3177-Y3179 VanDerWaalsContact C-N 3.32Å; L3177-Y3184 HydrophobicContact CB-CD1 4.38Å; L3177-Y3184 HydrophobicContact CB-CE1 4.3Å; L3177-Y3184 HydrophobicContact CD2-CD2 3.92Å; L3177-Y3184 HydrophobicContact CD2-CE1 4.25Å; L3177-Y3184 HydrophobicContact CD2-CE2 3.37Å; L3177-Y3184 HydrophobicContact CD2-CG 4.43Å; L3177-Y3184 WeakPolarHBondContact CD2-OH 3.48Å; L3177-Y3184 WeakPolarHBondContact O-CB 2.99Å; L3177-Y3184 WeakPolarHBondContact O-CD1 3.37Å; L3177-Y3184 VanDerWaalsContact O-CG 3.29Å |
| 3178 | I | 42.3 | Very low | 42.1 | Very low | 60 Ų | 60 | 67.8 Ų | 67.8 | 31% | 0.308 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -90.5 | -17.7 | -174.7 | -51.2 | 174.6 | 0 | 0 | 0 | 111.8 | S3172 I3174 Y3175 H3176 T3180 S3181 Y3184 L3188 | S3172-I3178 WeakPolarHBondContact O-CD1 3.38Å; I3174-I3178 PolarHBondContact O-N 3.12Å; Y3175-I3178 PolarHBondContact O-N 3.17Å; H3176-I3178 VanDerWaalsContact C-N 3.31Å; H3176-I3178 PolarHBondContact O-N 3.09Å; H3176-I3178 VanDerWaalsContact O-N 3.16Å; I3178-T3180 VanDerWaalsContact C-N 3.3Å; I3178-T3180 PolarHBondContact O-N 2.83Å; I3178-T3180 VanDerWaalsContact O-N 3.15Å; I3178-S3181 PolarHBondContact O-N 3.4Å; I3178-Y3184 HydrophobicContact CB-CD2 4.32Å; I3178-Y3184 HydrophobicContact CB-CE2 3.9Å; I3178-Y3184 HydrophobicContact CG1-CD1 4.1Å; I3178-Y3184 HydrophobicContact CG1-CE1 4.31Å; I3178-Y3184 HydrophobicContact CG2-CD2 3.29Å; I3178-Y3184 HydrophobicContact CG2-CE2 3.54Å; I3178-Y3184 HydrophobicContact CG2-CG 4.2Å; I3178-Y3184 WeakPolarHBondContact O-CD2 3.37Å; I3178-Y3184 WeakPolarHBondContact O-CE2 3.41Å; I3178-L3188 HydrophobicContact CG2-CD1 4.28Å |
| 3179 | Y | 37.4 | Very low | 41.7 | Very low | 162.4 Ų | 162.4 | 71.7 Ų | 71.7 | 64% | 0.637 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -87.7 | -25.9 | -166.9 | -139.4 | -92.2 | 0 | 0 | 0 | 114.6 | Y3175 H3176 L3177 | Y3175-Y3179 HydrophobicContact CD1-CD2 4.49Å; Y3175-Y3179 AromaticContact CE1-CD2 3.97Å; Y3175-Y3179 HydrophobicContact CE1-CD2 4.1Å; Y3175-Y3179 HydrophobicContact CE1-CE2 4.27Å; Y3175-Y3179 PolarHBondContact O-N 3.35Å; H3176-Y3179 PolarHBondContact O-N 3.23Å; L3177-Y3179 VanDerWaalsContact C-N 3.32Å |
| 3180 | T | 38.5 | Very low | 41.4 | Very low | 85.8 Ų | 85.8 | 72 Ų | 72 | 53% | 0.526 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -98.6 | -16.7 | -167.9 | 52.6 | 0 | 0 | 0 | 0 | 116 | E3139 H3176 I3178 | E3139-T3180 WeakPolarHBondContact OE1-CB 3.33Å; E3139-T3180 PolarHBondContact OE1-OG1 3.18Å; E3139-T3180 WeakPolarHBondContact OE2-CB 3.22Å; E3139-T3180 PolarHBondContact OE2-OG1 2.92Å; H3176-T3180 PolarHBondContact O-N 3.38Å; H3176-T3180 PolarHBondContact O-OG1 3.34Å; I3178-T3180 VanDerWaalsContact C-N 3.3Å; I3178-T3180 PolarHBondContact O-N 2.83Å; I3178-T3180 VanDerWaalsContact O-N 3.15Å |
| 3181 | S | 40.1 | Very low | 41.1 | Very low | 32.4 Ų | 32.4 | 71 Ų | 71 | 23% | 0.227 | 34% | 0.344 | C | S | . | . | trans | -117.4 | 127.1 | -176.1 | 80.7 | 0 | 0 | 0 | 0 | 114.7 | I3178 N3183 Y3184 | I3178-S3181 PolarHBondContact O-N 3.4Å; S3181-N3183 PolarHBondContact O-N 3.19Å; S3181-N3183 VanDerWaalsContact O-N 3.08Å; S3181-Y3184 VanDerWaalsContact O-CB 3.27Å; S3181-Y3184 WeakPolarHBondContact O-CB 3.36Å; S3181-Y3184 PolarHBondContact O-N 2.89Å; S3181-Y3184 WeakPolarHBondContact OG-CB 3.39Å; S3181-Y3184 PolarHBondContact OG-N 3.02Å | ||
| 3182 | K | 39.9 | Very low | 40.7 | Very low | 188 Ų | 188 | 74.5 Ų | 74.5 | 82% | 0.817 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -55.1 | -20.9 | 169.1 | -81.1 | 179.2 | 174.5 | 170.2 | 0 | 113.3 | Y3184 T3185 Y3186 | K3182-Y3184 VanDerWaalsContact C-N 3.32Å; K3182-Y3184 PolarHBondContact O-N 3.37Å; K3182-T3185 PolarHBondContact O-N 3.19Å; K3182-T3185 PolarHBondContact O-OG1 2.84Å; K3182-T3185 VanDerWaalsContact O-OG1 3.13Å; K3182-Y3186 PolarHBondContact O-N 3.24Å |
| 3183 | N | 41.3 | Very low | 40.4 | Very low | 88.8 Ų | 88.8 | 77.3 Ų | 77.3 | 48% | 0.475 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -75.9 | -16.5 | 176.4 | -68.1 | -24.2 | 0 | 0 | 0 | 113 | Y3147 S3181 T3185 Y3186 C3187 | Y3147-N3183 WeakPolarHBondContact CD2-O 3.47Å; Y3147-N3183 WeakPolarHBondContact CE2-O 3.4Å; S3181-N3183 PolarHBondContact O-N 3.19Å; S3181-N3183 VanDerWaalsContact O-N 3.08Å; N3183-T3185 PolarHBondContact O-N 2.95Å; N3183-Y3186 WeakPolarHBondContact O-CB 3.48Å; N3183-Y3186 PolarHBondContact O-N 2.95Å; N3183-C3187 WeakPolarHBondContact O-CB 3.45Å; N3183-C3187 PolarHBondContact O-N 3.11Å; N3183-C3187 VanDerWaalsContact O-N 3.11Å; N3183-C3187 PolarHBondContact O-SG 3.09Å |
| 3184 | Y | 40.9 | Very low | 40.1 | Very low | 40.2 Ų | 40.2 | 76.7 Ų | 76.7 | 16% | 0.158 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.1 | -43.9 | -180 | -158.7 | -104 | 0 | 0 | 0 | 113.4 | L3171 S3172 L3177 I3178 S3181 K3182 Y3186 C3187 L3188 I3514 | L3171-Y3184 HydrophobicContact CD2-CE2 4.19Å; L3171-Y3184 PolarHBondContact O-OH 3.15Å; S3172-Y3184 VanDerWaalsContact CA-OH 3.31Å; S3172-Y3184 WeakPolarHBondContact CA-OH 3.26Å; S3172-Y3184 PolarHBondContact N-OH 3Å; L3177-Y3184 HydrophobicContact CB-CD1 4.38Å; L3177-Y3184 HydrophobicContact CB-CE1 4.3Å; L3177-Y3184 HydrophobicContact CD2-CD2 3.92Å; L3177-Y3184 HydrophobicContact CD2-CE1 4.25Å; L3177-Y3184 HydrophobicContact CD2-CE2 3.37Å; L3177-Y3184 HydrophobicContact CD2-CG 4.43Å; L3177-Y3184 WeakPolarHBondContact CD2-OH 3.48Å; L3177-Y3184 WeakPolarHBondContact O-CB 2.99Å; L3177-Y3184 WeakPolarHBondContact O-CD1 3.37Å; L3177-Y3184 VanDerWaalsContact O-CG 3.29Å; I3178-Y3184 HydrophobicContact CB-CD2 4.32Å; I3178-Y3184 HydrophobicContact CB-CE2 3.9Å; I3178-Y3184 HydrophobicContact CG1-CD1 4.1Å; I3178-Y3184 HydrophobicContact CG1-CE1 4.31Å; I3178-Y3184 HydrophobicContact CG2-CD2 3.29Å; I3178-Y3184 HydrophobicContact CG2-CE2 3.54Å; I3178-Y3184 HydrophobicContact CG2-CG 4.2Å; I3178-Y3184 WeakPolarHBondContact O-CD2 3.37Å; I3178-Y3184 WeakPolarHBondContact O-CE2 3.41Å; S3181-Y3184 VanDerWaalsContact O-CB 3.27Å; S3181-Y3184 WeakPolarHBondContact O-CB 3.36Å; S3181-Y3184 PolarHBondContact O-N 2.89Å; S3181-Y3184 WeakPolarHBondContact OG-CB 3.39Å; S3181-Y3184 PolarHBondContact OG-N 3.02Å; K3182-Y3184 VanDerWaalsContact C-N 3.32Å; K3182-Y3184 PolarHBondContact O-N 3.37Å; Y3184-Y3186 VanDerWaalsContact C-N 3.3Å; Y3184-Y3186 PolarHBondContact O-N 3.09Å; Y3184-C3187 HydrophobicContact CD2-CB 4.46Å; Y3184-C3187 HydrophobicContact CE2-CB 4.49Å; Y3184-C3187 CarbonylContact O-C 3.57Å; Y3184-C3187 WeakPolarHBondContact O-CA 3.3Å; Y3184-C3187 WeakPolarHBondContact O-CB 3.15Å; Y3184-C3187 PolarHBondContact O-N 3.15Å; Y3184-C3187 VanDerWaalsContact O-N 3.1Å; Y3184-L3188 HydrophobicContact CD1-CD1 4.03Å; Y3184-L3188 HydrophobicContact CD1-CG 4.13Å; Y3184-L3188 HydrophobicContact CD2-CD1 3.98Å; Y3184-L3188 HydrophobicContact CD2-CG 3.95Å; Y3184-L3188 HydrophobicContact CE1-CD1 3.94Å; Y3184-L3188 HydrophobicContact CE1-CD2 4.37Å; Y3184-L3188 HydrophobicContact CE1-CG 4.25Å; Y3184-L3188 HydrophobicContact CE2-CD1 3.41Å; Y3184-L3188 HydrophobicContact CE2-CD2 4.41Å; Y3184-L3188 HydrophobicContact CE2-CG 3.74Å; Y3184-L3188 HydrophobicContact CG-CD1 4.43Å; Y3184-L3188 VanDerWaalsContact CZ-CD1 3.43Å; Y3184-L3188 VanDerWaalsContact O-CB 3.31Å; Y3184-L3188 WeakPolarHBondContact O-CB 3.37Å; Y3184-L3188 WeakPolarHBondContact O-CG 3.3Å; Y3184-L3188 PolarHBondContact O-N 3.23Å; Y3184-L3188 VanDerWaalsContact O-N 3.12Å; Y3184-L3188 VanDerWaalsContact OH-CD1 3.24Å; Y3184-L3188 WeakPolarHBondContact OH-CD1 3.34Å; Y3184-I3514 HydrophobicContact CD1-CB 3.71Å; Y3184-I3514 HydrophobicContact CD1-CD1 3.95Å; Y3184-I3514 HydrophobicContact CD1-CG1 4.44Å; Y3184-I3514 HydrophobicContact CD1-CG2 3.27Å; Y3184-I3514 HydrophobicContact CD2-CD1 4.34Å; Y3184-I3514 HydrophobicContact CE1-CB 3.29Å; Y3184-I3514 HydrophobicContact CE1-CD1 3.47Å; Y3184-I3514 VanDerWaalsContact CE1-CD1 3.47Å; Y3184-I3514 HydrophobicContact CE1-CG1 3.96Å; Y3184-I3514 HydrophobicContact CE1-CG2 3.46Å; Y3184-I3514 VanDerWaalsContact CE1-CG2 3.46Å; Y3184-I3514 HydrophobicContact CE2-CD1 3.81Å; Y3184-I3514 HydrophobicContact CG-CD1 4.38Å; Y3184-I3514 HydrophobicContact CG-CG2 4.26Å |
| 3185 | T | 40.2 | Very low | 39.7 | Very low | 75 Ų | 75 | 79.7 Ų | 79.7 | 46% | 0.46 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.4 | -33.4 | 175.3 | 3.9 | 0 | 0 | 0 | 0 | 111.4 | K3182 N3183 C3187 K3189 I3514 E3518 | K3182-T3185 PolarHBondContact O-N 3.19Å; K3182-T3185 PolarHBondContact O-OG1 2.84Å; K3182-T3185 VanDerWaalsContact O-OG1 3.13Å; N3183-T3185 PolarHBondContact O-N 2.95Å; T3185-C3187 VanDerWaalsContact C-N 3.28Å; T3185-K3189 VanDerWaalsContact O-CB 3.31Å; T3185-K3189 WeakPolarHBondContact O-CB 3.18Å; T3185-K3189 PolarHBondContact O-N 2.81Å; T3185-K3189 VanDerWaalsContact O-N 3.09Å; T3185-I3514 HydrophobicContact CG2-CG2 3.62Å; T3185-I3514 VanDerWaalsContact CG2-O 3.24Å; T3185-I3514 WeakPolarHBondContact CG2-O 3.39Å; T3185-E3518 HydrophobicContact CG2-CB 3.79Å; T3185-E3518 HydrophobicContact CG2-CG 3.2Å |
| 3186 | Y | 40.3 | Very low | 39.7 | Very low | 114.8 Ų | 114.8 | 77.1 Ų | 77.1 | 45% | 0.45 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.6 | -45.7 | 174.1 | -151.3 | -82.2 | 0 | 0 | 0 | 111.2 | K2937 Y3147 K3182 N3183 Y3184 L3188 K3189 T3190 F3286 F3389 | K2937-Y3186 VanDerWaalsContact O-CE1 3.31Å; K2937-Y3186 WeakPolarHBondContact O-CE1 3.41Å; K2937-Y3186 PolarHBondContact O-OH 3.49Å; Y3147-Y3186 VanDerWaalsContact OH-CD1 3.28Å; Y3147-Y3186 WeakPolarHBondContact OH-CD1 3.39Å; K3182-Y3186 PolarHBondContact O-N 3.24Å; N3183-Y3186 WeakPolarHBondContact O-CB 3.48Å; N3183-Y3186 PolarHBondContact O-N 2.95Å; Y3184-Y3186 VanDerWaalsContact C-N 3.3Å; Y3184-Y3186 PolarHBondContact O-N 3.09Å; Y3186-L3188 VanDerWaalsContact C-N 3.29Å; Y3186-L3188 PolarHBondContact O-N 3.27Å; Y3186-K3189 CarbonylContact O-C 3.59Å; Y3186-K3189 WeakPolarHBondContact O-CA 3.29Å; Y3186-K3189 WeakPolarHBondContact O-CB 3.48Å; Y3186-K3189 PolarHBondContact O-N 3.08Å; Y3186-K3189 VanDerWaalsContact O-N 3.09Å; Y3186-T3190 HydrophobicContact CD1-CG2 4.44Å; Y3186-T3190 WeakPolarHBondContact CD1-OG1 3.34Å; Y3186-T3190 HydrophobicContact CE1-CG2 4.44Å; Y3186-T3190 VanDerWaalsContact O-CB 3.3Å; Y3186-T3190 WeakPolarHBondContact O-CB 3.37Å; Y3186-T3190 WeakPolarHBondContact O-CG2 3.27Å; Y3186-T3190 PolarHBondContact O-N 3Å; Y3186-T3190 PolarHBondContact O-OG1 3.03Å; Y3186-F3286 HydrophobicContact CE1-CZ 4.19Å; Y3186-F3389 HydrophobicContact CE1-CB 3.95Å; Y3186-F3389 AromaticContact CE1-CD1 3.81Å; Y3186-F3389 HydrophobicContact CE1-CD1 3.81Å; Y3186-F3389 HydrophobicContact CE1-CD2 4.23Å; Y3186-F3389 HydrophobicContact CE1-CE1 4.38Å; Y3186-F3389 AromaticContact CE1-CG 3.72Å; Y3186-F3389 HydrophobicContact CE1-CG 3.72Å; Y3186-F3389 AromaticContact CE2-CD1 3.62Å; Y3186-F3389 HydrophobicContact CE2-CD1 3.62Å; Y3186-F3389 AromaticContact CE2-CE1 3.42Å; Y3186-F3389 HydrophobicContact CE2-CE1 3.42Å; Y3186-F3389 VanDerWaalsContact CE2-CE1 3.42Å; Y3186-F3389 HydrophobicContact CE2-CG 4.27Å; Y3186-F3389 AromaticContact CE2-CZ 3.96Å; Y3186-F3389 HydrophobicContact CE2-CZ 3.96Å; Y3186-F3389 AromaticContact CZ-CD1 3.23Å; Y3186-F3389 AromaticContact CZ-CD2 3.74Å; Y3186-F3389 AromaticContact CZ-CE1 3.37Å; Y3186-F3389 AromaticContact CZ-CE2 3.89Å; Y3186-F3389 AromaticContact CZ-CG 3.42Å; Y3186-F3389 VanDerWaalsContact CZ-CG 3.42Å; Y3186-F3389 AromaticContact CZ-CZ 3.71Å; Y3186-F3389 VanDerWaalsContact OH-CD1 3.24Å; Y3186-F3389 WeakPolarHBondContact OH-CD1 3.37Å; Y3186-F3389 WeakPolarHBondContact OH-CD2 3.43Å; Y3186-F3389 WeakPolarHBondContact OH-CE1 3.3Å; Y3186-F3389 WeakPolarHBondContact OH-CE2 3.23Å; Y3186-F3389 WeakPolarHBondContact OH-CG 3.3Å; Y3186-F3389 WeakPolarHBondContact OH-CZ 3.48Å |
| 3187 | C | 39.8 | Very low | 39.6 | Very low | 18.6 Ų | 18.6 | 73.2 Ų | 73.2 | 13% | 0.126 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 177.1 | -97.5 | 0 | 0 | 0 | 0 | 112.2 | Y3147 N3183 Y3184 T3185 K3189 T3190 I3191 | Y3147-C3187 HydrophobicContact CD2-CB 3.63Å; Y3147-C3187 WeakPolarHBondContact CD2-SG 3.35Å; Y3147-C3187 VanDerWaalsContact CE2-CA 3.48Å; Y3147-C3187 HydrophobicContact CE2-CB 3.84Å; Y3147-C3187 WeakPolarHBondContact CE2-O 3.14Å; Y3147-C3187 VanDerWaalsContact CE2-SG 3.53Å; Y3147-C3187 HydrophobicContact CG-CB 4.47Å; N3183-C3187 WeakPolarHBondContact O-CB 3.45Å; N3183-C3187 PolarHBondContact O-N 3.11Å; N3183-C3187 VanDerWaalsContact O-N 3.11Å; N3183-C3187 PolarHBondContact O-SG 3.09Å; Y3184-C3187 HydrophobicContact CD2-CB 4.46Å; Y3184-C3187 HydrophobicContact CE2-CB 4.49Å; Y3184-C3187 CarbonylContact O-C 3.57Å; Y3184-C3187 WeakPolarHBondContact O-CA 3.3Å; Y3184-C3187 WeakPolarHBondContact O-CB 3.15Å; Y3184-C3187 PolarHBondContact O-N 3.15Å; Y3184-C3187 VanDerWaalsContact O-N 3.1Å; T3185-C3187 VanDerWaalsContact C-N 3.28Å; C3187-K3189 PolarHBondContact O-N 3.18Å; C3187-T3190 VanDerWaalsContact CA-OG1 3.25Å; C3187-T3190 WeakPolarHBondContact CA-OG1 3.5Å; C3187-T3190 CarbonylContact O-C 3.6Å; C3187-T3190 PolarHBondContact O-N 3.13Å; C3187-T3190 VanDerWaalsContact O-N 3.15Å; C3187-T3190 PolarHBondContact O-OG1 3.07Å; C3187-I3191 WeakPolarHBondContact O-CB 3.29Å; C3187-I3191 WeakPolarHBondContact O-CD1 3.29Å; C3187-I3191 VanDerWaalsContact O-CG1 3.29Å; C3187-I3191 WeakPolarHBondContact O-CG1 3.38Å; C3187-I3191 PolarHBondContact O-N 3.1Å; C3187-I3191 VanDerWaalsContact O-N 3.14Å |
| 3188 | L | 42.3 | Very low | 39.5 | Very low | 27.4 Ų | 27.4 | 75.3 Ų | 75.3 | 14% | 0.143 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 176.1 | -76.4 | 170.6 | 0 | 0 | 0 | 111.6 | I3178 Y3184 Y3186 T3190 I3191 F3192 F3200 | I3178-L3188 HydrophobicContact CG2-CD1 4.28Å; Y3184-L3188 HydrophobicContact CD1-CD1 4.03Å; Y3184-L3188 HydrophobicContact CD1-CG 4.13Å; Y3184-L3188 HydrophobicContact CD2-CD1 3.98Å; Y3184-L3188 HydrophobicContact CD2-CG 3.95Å; Y3184-L3188 HydrophobicContact CE1-CD1 3.94Å; Y3184-L3188 HydrophobicContact CE1-CD2 4.37Å; Y3184-L3188 HydrophobicContact CE1-CG 4.25Å; Y3184-L3188 HydrophobicContact CE2-CD1 3.41Å; Y3184-L3188 HydrophobicContact CE2-CD2 4.41Å; Y3184-L3188 HydrophobicContact CE2-CG 3.74Å; Y3184-L3188 HydrophobicContact CG-CD1 4.43Å; Y3184-L3188 VanDerWaalsContact CZ-CD1 3.43Å; Y3184-L3188 VanDerWaalsContact O-CB 3.31Å; Y3184-L3188 WeakPolarHBondContact O-CB 3.37Å; Y3184-L3188 WeakPolarHBondContact O-CG 3.3Å; Y3184-L3188 PolarHBondContact O-N 3.23Å; Y3184-L3188 VanDerWaalsContact O-N 3.12Å; Y3184-L3188 VanDerWaalsContact OH-CD1 3.24Å; Y3184-L3188 WeakPolarHBondContact OH-CD1 3.34Å; Y3186-L3188 VanDerWaalsContact C-N 3.29Å; Y3186-L3188 PolarHBondContact O-N 3.27Å; L3188-T3190 VanDerWaalsContact C-N 3.27Å; L3188-T3190 PolarHBondContact O-N 3.21Å; L3188-I3191 HydrophobicContact CD2-CD1 4.44Å; L3188-I3191 CarbonylContact O-C 3.44Å; L3188-I3191 PolarHBondContact O-N 2.95Å; L3188-I3191 VanDerWaalsContact O-N 3.14Å; L3188-F3192 HydrophobicContact CB-CD2 4.19Å; L3188-F3192 HydrophobicContact CB-CE2 4.16Å; L3188-F3192 HydrophobicContact CD1-CE2 4.22Å; L3188-F3192 HydrophobicContact CD2-CD2 4.22Å; L3188-F3192 HydrophobicContact CD2-CE2 3.97Å; L3188-F3192 HydrophobicContact CD2-CZ 4.34Å; L3188-F3192 HydrophobicContact CG-CE2 4.25Å; L3188-F3192 VanDerWaalsContact O-CB 3.27Å; L3188-F3192 WeakPolarHBondContact O-CB 3.35Å; L3188-F3192 VanDerWaalsContact O-CD2 3.28Å; L3188-F3192 WeakPolarHBondContact O-CD2 3.43Å; L3188-F3192 WeakPolarHBondContact O-CG 3.35Å; L3188-F3192 PolarHBondContact O-N 2.9Å; L3188-F3200 HydrophobicContact CD2-CE2 3.72Å; L3188-F3200 HydrophobicContact CD2-CZ 3.79Å |
| 3189 | K | 41 | Very low | 39.4 | Very low | 103.2 Ų | 103.2 | 77.4 Ų | 77.4 | 45% | 0.449 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.6 | -32.9 | 177.5 | -166.8 | 173.7 | -173.2 | 179.6 | 0 | 111.9 | T3185 Y3186 C3187 N3193 F3515 | T3185-K3189 VanDerWaalsContact O-CB 3.31Å; T3185-K3189 WeakPolarHBondContact O-CB 3.18Å; T3185-K3189 PolarHBondContact O-N 2.81Å; T3185-K3189 VanDerWaalsContact O-N 3.09Å; Y3186-K3189 CarbonylContact O-C 3.59Å; Y3186-K3189 WeakPolarHBondContact O-CA 3.29Å; Y3186-K3189 WeakPolarHBondContact O-CB 3.48Å; Y3186-K3189 PolarHBondContact O-N 3.08Å; Y3186-K3189 VanDerWaalsContact O-N 3.09Å; C3187-K3189 PolarHBondContact O-N 3.18Å; K3189-N3193 WeakPolarHBondContact O-CA 3.48Å; K3189-N3193 VanDerWaalsContact O-CB 3.27Å; K3189-N3193 WeakPolarHBondContact O-CB 3.34Å; K3189-N3193 PolarHBondContact O-N 3.15Å; K3189-N3193 VanDerWaalsContact O-N 3.07Å; K3189-N3193 PolarHBondContact O-ND2 3.15Å; K3189-N3193 PolarHBondContact O-OD1 3.36Å; K3189-F3515 HydrophobicContact CB-CD2 3.91Å; K3189-F3515 HydrophobicContact CB-CE2 3.87Å; K3189-F3515 HydrophobicContact CD-CD2 4.04Å; K3189-F3515 HydrophobicContact CD-CE2 3.51Å; K3189-F3515 HydrophobicContact CG-CD2 3.97Å; K3189-F3515 HydrophobicContact CG-CE2 3.41Å; K3189-F3515 VanDerWaalsContact CG-CE2 3.41Å; K3189-F3515 HydrophobicContact CG-CZ 4.32Å |
| 3190 | T | 39.8 | Very low | 39.4 | Very low | 30.8 Ų | 30.8 | 72.3 Ų | 72.3 | 19% | 0.189 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -77.4 | -39.3 | 176.4 | -32 | 0 | 0 | 0 | 0 | 112.1 | L2938 Y3147 L3151 Y3186 C3187 L3188 F3192 N3193 S3194 F3252 | L2938-T3190 HydrophobicContact CD2-CG2 4.3Å; Y3147-T3190 WeakPolarHBondContact CE2-OG1 3.49Å; Y3147-T3190 VanDerWaalsContact CZ-OG1 3.27Å; Y3147-T3190 WeakPolarHBondContact OH-CB 3.27Å; Y3147-T3190 VanDerWaalsContact OH-CG2 3.3Å; Y3147-T3190 WeakPolarHBondContact OH-CG2 3.47Å; Y3147-T3190 PolarHBondContact OH-OG1 3.15Å; L3151-T3190 HydrophobicContact CD2-CG2 3.87Å; Y3186-T3190 HydrophobicContact CD1-CG2 4.44Å; Y3186-T3190 WeakPolarHBondContact CD1-OG1 3.34Å; Y3186-T3190 HydrophobicContact CE1-CG2 4.44Å; Y3186-T3190 VanDerWaalsContact O-CB 3.3Å; Y3186-T3190 WeakPolarHBondContact O-CB 3.37Å; Y3186-T3190 WeakPolarHBondContact O-CG2 3.27Å; Y3186-T3190 PolarHBondContact O-N 3Å; Y3186-T3190 PolarHBondContact O-OG1 3.03Å; C3187-T3190 VanDerWaalsContact CA-OG1 3.25Å; C3187-T3190 WeakPolarHBondContact CA-OG1 3.5Å; C3187-T3190 CarbonylContact O-C 3.6Å; C3187-T3190 PolarHBondContact O-N 3.13Å; C3187-T3190 VanDerWaalsContact O-N 3.15Å; C3187-T3190 PolarHBondContact O-OG1 3.07Å; L3188-T3190 VanDerWaalsContact C-N 3.27Å; L3188-T3190 PolarHBondContact O-N 3.21Å; T3190-F3192 PolarHBondContact O-N 2.82Å; T3190-N3193 PolarHBondContact O-N 3.21Å; T3190-S3194 WeakPolarHBondContact O-CA 3.44Å; T3190-S3194 WeakPolarHBondContact O-CB 3.31Å; T3190-S3194 PolarHBondContact O-N 3.13Å; T3190-S3194 VanDerWaalsContact O-N 3.13Å; T3190-S3194 PolarHBondContact O-OG 3.06Å; T3190-F3252 HydrophobicContact CG2-CD1 3.99Å; T3190-F3252 HydrophobicContact CG2-CD2 4.07Å; T3190-F3252 HydrophobicContact CG2-CE1 3.31Å; T3190-F3252 HydrophobicContact CG2-CE2 3.41Å; T3190-F3252 VanDerWaalsContact CG2-CE2 3.41Å; T3190-F3252 HydrophobicContact CG2-CG 4.35Å; T3190-F3252 HydrophobicContact CG2-CZ 3.01Å |
| 3191 | I | 41 | Very low | 39.4 | Very low | 39.4 Ų | 39.4 | 70.1 Ų | 70.1 | 20% | 0.202 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 172.6 | -69.6 | 164.4 | 0 | 0 | 0 | 110.3 | Y3147 I3150 L3154 C3187 L3188 N3193 S3194 Y3195 V3197 F3200 | Y3147-I3191 HydrophobicContact CD2-CD1 4.03Å; Y3147-I3191 HydrophobicContact CD2-CG1 4.23Å; Y3147-I3191 HydrophobicContact CE2-CD1 4.12Å; Y3147-I3191 HydrophobicContact CE2-CG1 4.16Å; I3150-I3191 HydrophobicContact CD1-CD1 4.17Å; I3150-I3191 HydrophobicContact CG2-CD1 3.8Å; I3150-I3191 VanDerWaalsContact CG2-CD1 3.47Å; I3150-I3191 HydrophobicContact CG2-CG1 3.52Å; I3150-I3191 VanDerWaalsContact CG2-CG1 3.42Å; L3154-I3191 HydrophobicContact CD1-CG1 4.45Å; L3154-I3191 HydrophobicContact CD2-CG2 4.31Å; C3187-I3191 WeakPolarHBondContact O-CB 3.29Å; C3187-I3191 WeakPolarHBondContact O-CD1 3.29Å; C3187-I3191 VanDerWaalsContact O-CG1 3.29Å; C3187-I3191 WeakPolarHBondContact O-CG1 3.38Å; C3187-I3191 PolarHBondContact O-N 3.1Å; C3187-I3191 VanDerWaalsContact O-N 3.14Å; L3188-I3191 HydrophobicContact CD2-CD1 4.44Å; L3188-I3191 CarbonylContact O-C 3.44Å; L3188-I3191 PolarHBondContact O-N 2.95Å; L3188-I3191 VanDerWaalsContact O-N 3.14Å; I3191-N3193 VanDerWaalsContact C-N 3.32Å; I3191-N3193 PolarHBondContact O-N 3.36Å; I3191-N3193 VanDerWaalsContact O-N 3.1Å; I3191-S3194 WeakPolarHBondContact O-CB 3.3Å; I3191-S3194 PolarHBondContact O-N 2.99Å; I3191-S3194 PolarHBondContact O-OG 3.24Å; I3191-Y3195 WeakPolarHBondContact O-CB 3.17Å; I3191-Y3195 PolarHBondContact O-N 3.38Å; I3191-V3197 HydrophobicContact CG2-CG1 4.18Å; I3191-V3197 HydrophobicContact CG2-CG2 4.03Å; I3191-V3197 VanDerWaalsContact O-CB 3.29Å; I3191-V3197 WeakPolarHBondContact O-CB 3.38Å; I3191-V3197 VanDerWaalsContact O-CG2 3.27Å; I3191-V3197 WeakPolarHBondContact O-CG2 3.3Å; I3191-F3200 HydrophobicContact CG2-CD2 4.48Å |
| 3192 | F | 40.7 | Very low | 39.3 | Very low | 81.4 Ų | 81.4 | 73.7 Ų | 73.7 | 36% | 0.357 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -73.7 | -18 | 179.8 | -74.5 | -65.8 | 0 | 0 | 0 | 114.5 | L3188 T3190 Y3195 V3197 F3200 F3201 F3210 | L3188-F3192 HydrophobicContact CB-CD2 4.19Å; L3188-F3192 HydrophobicContact CB-CE2 4.16Å; L3188-F3192 HydrophobicContact CD1-CE2 4.22Å; L3188-F3192 HydrophobicContact CD2-CD2 4.22Å; L3188-F3192 HydrophobicContact CD2-CE2 3.97Å; L3188-F3192 HydrophobicContact CD2-CZ 4.34Å; L3188-F3192 HydrophobicContact CG-CE2 4.25Å; L3188-F3192 VanDerWaalsContact O-CB 3.27Å; L3188-F3192 WeakPolarHBondContact O-CB 3.35Å; L3188-F3192 VanDerWaalsContact O-CD2 3.28Å; L3188-F3192 WeakPolarHBondContact O-CD2 3.43Å; L3188-F3192 WeakPolarHBondContact O-CG 3.35Å; L3188-F3192 PolarHBondContact O-N 2.9Å; T3190-F3192 PolarHBondContact O-N 2.82Å; F3192-Y3195 CarbonylContact C-O 3.44Å; F3192-V3197 HydrophobicContact CD1-CB 4.03Å; F3192-V3197 HydrophobicContact CD1-CG1 4Å; F3192-V3197 HydrophobicContact CD1-CG2 4.09Å; F3192-V3197 HydrophobicContact CE1-CB 4.45Å; F3192-V3197 HydrophobicContact CE1-CG1 4.03Å; F3192-F3200 HydrophobicContact CE1-CB 3.92Å; F3192-F3200 AromaticContact CE1-CD2 3.9Å; F3192-F3200 HydrophobicContact CE1-CD2 3.9Å; F3192-F3200 AromaticContact CE1-CG 3.86Å; F3192-F3200 HydrophobicContact CE1-CG 3.86Å; F3192-F3200 HydrophobicContact CZ-CD1 4.44Å; F3192-F3200 HydrophobicContact CZ-CD2 4.12Å; F3192-F3200 HydrophobicContact CZ-CE2 4.41Å; F3192-F3200 HydrophobicContact CZ-CG 4.14Å; F3192-F3201 HydrophobicContact CE1-CE2 4.3Å; F3192-F3210 HydrophobicContact CE1-CZ 4.16Å; F3192-F3210 HydrophobicContact CE2-CE2 4.12Å; F3192-F3210 AromaticContact CE2-CZ 3.82Å; F3192-F3210 HydrophobicContact CE2-CZ 3.82Å; F3192-F3210 HydrophobicContact CZ-CE1 4.32Å; F3192-F3210 AromaticContact CZ-CE2 3.55Å; F3192-F3210 HydrophobicContact CZ-CE2 3.55Å; F3192-F3210 AromaticContact CZ-CZ 3.31Å; F3192-F3210 HydrophobicContact CZ-CZ 3.31Å |
| 3193 | N | 38 | Very low | 39.3 | Very low | 97.6 Ų | 97.6 | 72.7 Ų | 72.7 | 52% | 0.522 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -91.6 | -16.2 | 174.5 | -76.6 | -7.7 | 0 | 0 | 0 | 113.5 | K3189 T3190 I3191 Y3195 I3260 | K3189-N3193 WeakPolarHBondContact O-CA 3.48Å; K3189-N3193 VanDerWaalsContact O-CB 3.27Å; K3189-N3193 WeakPolarHBondContact O-CB 3.34Å; K3189-N3193 PolarHBondContact O-N 3.15Å; K3189-N3193 VanDerWaalsContact O-N 3.07Å; K3189-N3193 PolarHBondContact O-ND2 3.15Å; K3189-N3193 PolarHBondContact O-OD1 3.36Å; T3190-N3193 PolarHBondContact O-N 3.21Å; I3191-N3193 VanDerWaalsContact C-N 3.32Å; I3191-N3193 PolarHBondContact O-N 3.36Å; I3191-N3193 VanDerWaalsContact O-N 3.1Å; N3193-Y3195 PolarHBondContact O-N 3.46Å; N3193-Y3195 VanDerWaalsContact O-N 3.08Å; N3193-I3260 WeakPolarHBondContact O-CD1 3.48Å |
| 3194 | S | 37.6 | Very low | 39.1 | Very low | 42.4 Ų | 42.4 | 71.3 Ų | 71.3 | 30% | 0.297 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -91.3 | 25.3 | 178.8 | 60.4 | 0 | 0 | 0 | 0 | 112 | T3190 I3191 D3196 V3197 | T3190-S3194 WeakPolarHBondContact O-CA 3.44Å; T3190-S3194 WeakPolarHBondContact O-CB 3.31Å; T3190-S3194 PolarHBondContact O-N 3.13Å; T3190-S3194 VanDerWaalsContact O-N 3.13Å; T3190-S3194 PolarHBondContact O-OG 3.06Å; I3191-S3194 WeakPolarHBondContact O-CB 3.3Å; I3191-S3194 PolarHBondContact O-N 2.99Å; I3191-S3194 PolarHBondContact O-OG 3.24Å; S3194-D3196 PolarHBondContact O-N 3.03Å; S3194-D3196 VanDerWaalsContact O-N 3.11Å; S3194-V3197 PolarHBondContact O-N 3.26Å; S3194-V3197 VanDerWaalsContact O-N 3.14Å; S3194-V3197 VanDerWaalsContact OG-CG2 3.26Å; S3194-V3197 WeakPolarHBondContact OG-CG2 3.19Å |
| 3195 | Y | 35.6 | Very low | 38.9 | Very low | 111 Ų | 111 | 73.6 Ų | 73.6 | 44% | 0.435 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -101.1 | 130.6 | 177.9 | -124 | -88.2 | 0 | 0 | 0 | 111 | L3154 P3155 I3191 F3192 N3193 V3197 L3198 H3199 F3200 | L3154-Y3195 HydrophobicContact CB-CD2 4.22Å; L3154-Y3195 HydrophobicContact CB-CE2 3.66Å; L3154-Y3195 HydrophobicContact CD2-CE2 4.06Å; L3154-Y3195 WeakPolarHBondContact O-CE2 3.39Å; L3154-Y3195 PolarHBondContact O-OH 3.28Å; P3155-Y3195 HydrophobicContact CB-CE2 4.33Å; P3155-Y3195 HydrophobicContact CG-CE2 4.04Å; I3191-Y3195 WeakPolarHBondContact O-CB 3.17Å; I3191-Y3195 PolarHBondContact O-N 3.38Å; F3192-Y3195 CarbonylContact C-O 3.44Å; N3193-Y3195 PolarHBondContact O-N 3.46Å; N3193-Y3195 VanDerWaalsContact O-N 3.08Å; Y3195-V3197 VanDerWaalsContact C-N 3.32Å; Y3195-V3197 PolarHBondContact O-N 3.16Å; Y3195-L3198 PolarHBondContact O-N 3.29Å; Y3195-H3199 HydrophobicContact CD1-CB 3.53Å; Y3195-H3199 HydrophobicContact CE1-CB 3.55Å; Y3195-H3199 AromaticContact CE1-CD2 3.38Å; Y3195-H3199 WeakPolarHBondContact CE1-CD2 3.22Å; Y3195-H3199 AromaticContact CE1-CG 3.66Å; Y3195-H3199 AromaticContact CZ-CD2 3.82Å; Y3195-H3199 WeakPolarHBondContact O-CB 3.41Å; Y3195-H3199 PolarHBondContact O-N 3.33Å; Y3195-F3200 AromaticContact CD1-CD2 3.64Å; Y3195-F3200 HydrophobicContact CD1-CD2 3.64Å; Y3195-F3200 AromaticContact CD1-CE2 3.16Å; Y3195-F3200 HydrophobicContact CD1-CE2 3.16Å; Y3195-F3200 HydrophobicContact CD1-CZ 4.01Å; Y3195-F3200 AromaticContact CD2-CE2 3.97Å; Y3195-F3200 HydrophobicContact CD2-CE2 3.97Å; Y3195-F3200 HydrophobicContact CE1-CD2 4.2Å; Y3195-F3200 AromaticContact CE1-CE2 3.44Å; Y3195-F3200 HydrophobicContact CE1-CE2 3.44Å; Y3195-F3200 VanDerWaalsContact CE1-CE2 3.44Å; Y3195-F3200 AromaticContact CE1-CZ 3.79Å; Y3195-F3200 HydrophobicContact CE1-CZ 3.79Å; Y3195-F3200 HydrophobicContact CE2-CE2 4.16Å; Y3195-F3200 HydrophobicContact CE2-CZ 4.49Å; Y3195-F3200 HydrophobicContact CG-CD2 4.04Å; Y3195-F3200 AromaticContact CG-CE2 3.45Å; Y3195-F3200 HydrophobicContact CG-CE2 3.45Å; Y3195-F3200 VanDerWaalsContact CG-CE2 3.45Å; Y3195-F3200 HydrophobicContact CG-CZ 4.44Å; Y3195-F3200 AromaticContact CZ-CE2 3.94Å |
| 3196 | D | 38.7 | Very low | 38.6 | Very low | 92.4 Ų | 92.4 | 71.9 Ų | 71.9 | 49% | 0.494 | 35% | 0.351 | S | S | . | . | trans | -59.4 | 51.1 | 166.8 | -71.2 | -51.4 | 0 | 0 | 0 | 110.7 | S3194 L3198 H3199 F3200 F3286 N3289 | S3194-D3196 PolarHBondContact O-N 3.03Å; S3194-D3196 VanDerWaalsContact O-N 3.11Å; D3196-L3198 VanDerWaalsContact C-N 3.31Å; D3196-L3198 PolarHBondContact O-N 3.15Å; D3196-L3198 VanDerWaalsContact O-N 3.11Å; D3196-H3199 HydrophobicContact CB-CB 3.61Å; D3196-H3199 CarbonylContact O-C 3.57Å; D3196-H3199 VanDerWaalsContact O-CA 3.3Å; D3196-H3199 WeakPolarHBondContact O-CA 3.34Å; D3196-H3199 WeakPolarHBondContact O-CB 3.38Å; D3196-H3199 PolarHBondContact O-N 3.08Å; D3196-F3200 VanDerWaalsContact C-CD2 3.43Å; D3196-F3200 HydrophobicContact CB-CD2 4.33Å; D3196-F3200 HydrophobicContact CB-CE2 4.03Å; D3196-F3200 WeakPolarHBondContact O-CB 3.42Å; D3196-F3200 VanDerWaalsContact O-CD2 3.26Å; D3196-F3200 WeakPolarHBondContact O-CD2 3.4Å; D3196-F3200 WeakPolarHBondContact O-CG 3.39Å; D3196-F3200 PolarHBondContact O-N 3.26Å; D3196-F3286 HydrophobicContact CB-CE1 4.34Å; D3196-F3286 HydrophobicContact CB-CZ 3.83Å; D3196-N3289 PolarHBondContact OD2-ND2 3.15Å | ||
| 3197 | V | 37.8 | Very low | 38.3 | Very low | 32.4 Ų | 32.4 | 68.6 Ų | 68.6 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.3 | -27.4 | 179.3 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | L3154 I3191 F3192 S3194 Y3195 H3199 F3200 F3201 | L3154-V3197 HydrophobicContact CD2-CG2 4Å; I3191-V3197 HydrophobicContact CG2-CG1 4.18Å; I3191-V3197 HydrophobicContact CG2-CG2 4.03Å; I3191-V3197 VanDerWaalsContact O-CB 3.29Å; I3191-V3197 WeakPolarHBondContact O-CB 3.38Å; I3191-V3197 VanDerWaalsContact O-CG2 3.27Å; I3191-V3197 WeakPolarHBondContact O-CG2 3.3Å; F3192-V3197 HydrophobicContact CD1-CB 4.03Å; F3192-V3197 HydrophobicContact CD1-CG1 4Å; F3192-V3197 HydrophobicContact CD1-CG2 4.09Å; F3192-V3197 HydrophobicContact CE1-CB 4.45Å; F3192-V3197 HydrophobicContact CE1-CG1 4.03Å; S3194-V3197 PolarHBondContact O-N 3.26Å; S3194-V3197 VanDerWaalsContact O-N 3.14Å; S3194-V3197 VanDerWaalsContact OG-CG2 3.26Å; S3194-V3197 WeakPolarHBondContact OG-CG2 3.19Å; Y3195-V3197 VanDerWaalsContact C-N 3.32Å; Y3195-V3197 PolarHBondContact O-N 3.16Å; V3197-H3199 PolarHBondContact O-N 2.87Å; V3197-F3200 HydrophobicContact CG2-CD2 4.46Å; V3197-F3200 WeakPolarHBondContact O-CB 3.41Å; V3197-F3200 PolarHBondContact O-N 3.24Å; V3197-F3201 HydrophobicContact CG1-CD2 3.99Å; V3197-F3201 HydrophobicContact CG1-CE2 3.54Å; V3197-F3201 HydrophobicContact CG1-CZ 4.22Å; V3197-F3201 WeakPolarHBondContact O-CD2 3.31Å; V3197-F3201 WeakPolarHBondContact O-CE2 3.42Å; V3197-F3201 PolarHBondContact O-N 3.21Å |
| 3198 | L | 36.7 | Very low | 38.1 | Very low | 57.2 Ų | 57.2 | 72.2 Ų | 72.2 | 30% | 0.299 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -71.1 | -28.7 | 177.5 | -70.6 | 164.8 | 0 | 0 | 0 | 113.7 | Y3195 D3196 F3200 F3201 E3202 F3211 L3218 L3228 I3232 R3235 F3252 F3286 I3287 | Y3195-L3198 PolarHBondContact O-N 3.29Å; D3196-L3198 VanDerWaalsContact C-N 3.31Å; D3196-L3198 PolarHBondContact O-N 3.15Å; D3196-L3198 VanDerWaalsContact O-N 3.11Å; L3198-F3200 VanDerWaalsContact C-N 3.31Å; L3198-F3200 PolarHBondContact O-N 3.18Å; L3198-F3201 HydrophobicContact CD2-CD2 4.08Å; L3198-F3201 CarbonylContact O-C 3.56Å; L3198-F3201 WeakPolarHBondContact O-CA 3.39Å; L3198-F3201 WeakPolarHBondContact O-CB 3.17Å; L3198-F3201 PolarHBondContact O-N 2.83Å; L3198-F3201 VanDerWaalsContact O-N 3.07Å; L3198-E3202 PolarHBondContact O-N 2.81Å; L3198-F3211 HydrophobicContact CD2-CD1 3.51Å; L3198-F3211 HydrophobicContact CD2-CE1 3.66Å; L3198-F3211 HydrophobicContact CD2-CG 4.23Å; L3198-F3211 HydrophobicContact CD2-CZ 4.46Å; L3198-L3218 HydrophobicContact CD1-CD1 3.34Å; L3198-L3218 HydrophobicContact CD1-CD2 3.56Å; L3198-L3218 HydrophobicContact CD1-CG 4.09Å; L3198-L3218 HydrophobicContact CD2-CD1 3.62Å; L3198-L3218 HydrophobicContact CG-CD1 4.04Å; L3198-L3228 HydrophobicContact CD1-CD1 4.18Å; L3198-L3228 HydrophobicContact CD2-CD1 4.45Å; L3198-I3232 HydrophobicContact CD2-CD1 4.2Å; L3198-I3232 HydrophobicContact CD2-CG1 3.92Å; L3198-R3235 PolarHBondContact O-NH1 3.38Å; L3198-R3235 VanDerWaalsContact O-NH1 3.13Å; L3198-F3252 HydrophobicContact CB-CD1 4.46Å; L3198-F3252 HydrophobicContact CB-CD2 3.65Å; L3198-F3252 HydrophobicContact CB-CE2 3.75Å; L3198-F3252 HydrophobicContact CB-CG 4.03Å; L3198-F3252 HydrophobicContact CB-CZ 4.21Å; L3198-F3252 HydrophobicContact CD1-CB 3.78Å; L3198-F3252 HydrophobicContact CD1-CD1 4.02Å; L3198-F3252 HydrophobicContact CD1-CD2 4.2Å; L3198-F3252 HydrophobicContact CD1-CG 3.71Å; L3198-F3252 HydrophobicContact CD2-CD1 3.76Å; L3198-F3252 HydrophobicContact CD2-CD2 4.46Å; L3198-F3252 HydrophobicContact CD2-CE1 3.73Å; L3198-F3252 HydrophobicContact CD2-CE2 4.42Å; L3198-F3252 HydrophobicContact CD2-CG 4.14Å; L3198-F3252 HydrophobicContact CD2-CZ 4.07Å; L3198-F3252 HydrophobicContact CG-CD1 4.29Å; L3198-F3252 HydrophobicContact CG-CD2 4.3Å; L3198-F3252 HydrophobicContact CG-CG 4.16Å; L3198-F3286 HydrophobicContact CB-CE1 4.1Å; L3198-F3286 HydrophobicContact CB-CZ 3.69Å; L3198-F3286 HydrophobicContact CD1-CE2 3.54Å; L3198-F3286 HydrophobicContact CD1-CZ 3.51Å; L3198-F3286 HydrophobicContact CG-CZ 4.08Å; L3198-I3287 HydrophobicContact CD1-CD1 4.33Å; L3198-I3287 HydrophobicContact CD1-CG1 4.22Å |
| 3199 | H | 39.3 | Very low | 37.7 | Very low | 103.2 Ų | 103.2 | 74.9 Ų | 74.9 | 48% | 0.478 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -73.9 | -29.8 | 175.1 | -154 | -7.4 | 0 | 0 | 0 | 111.9 | Y3195 D3196 V3197 F3201 E3202 R3235 | Y3195-H3199 HydrophobicContact CD1-CB 3.53Å; Y3195-H3199 HydrophobicContact CE1-CB 3.55Å; Y3195-H3199 AromaticContact CE1-CD2 3.38Å; Y3195-H3199 WeakPolarHBondContact CE1-CD2 3.22Å; Y3195-H3199 AromaticContact CE1-CG 3.66Å; Y3195-H3199 AromaticContact CZ-CD2 3.82Å; Y3195-H3199 WeakPolarHBondContact O-CB 3.41Å; Y3195-H3199 PolarHBondContact O-N 3.33Å; D3196-H3199 HydrophobicContact CB-CB 3.61Å; D3196-H3199 CarbonylContact O-C 3.57Å; D3196-H3199 VanDerWaalsContact O-CA 3.3Å; D3196-H3199 WeakPolarHBondContact O-CA 3.34Å; D3196-H3199 WeakPolarHBondContact O-CB 3.38Å; D3196-H3199 PolarHBondContact O-N 3.08Å; V3197-H3199 PolarHBondContact O-N 2.87Å; H3199-F3201 VanDerWaalsContact C-N 3.28Å; H3199-F3201 PolarHBondContact O-N 3.07Å; H3199-E3202 IonicContact CE1-OE2 2.96Å; H3199-E3202 PolarHBondContact CE1-OE2 3.27Å; H3199-E3202 VanDerWaalsContact CE1-OE2 3.28Å; H3199-E3202 IonicContact CG-OE2 3.59Å; H3199-E3202 IonicContact ND1-OE2 3.03Å; H3199-E3202 PolarHBondContact ND1-OE2 3.02Å; H3199-E3202 VanDerWaalsContact ND1-OE2 3.12Å; H3199-E3202 WeakPolarHBondContact O-CB 3.33Å; H3199-E3202 PolarHBondContact O-N 3.08Å; H3199-R3235 PolarHBondContact ND1-NH2 3.25Å |
| 3200 | F | 38.3 | Very low | 37.4 | Very low | 56.2 Ų | 56.2 | 74.4 Ų | 74.4 | 25% | 0.246 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.6 | -30.4 | 172.9 | -89.3 | -71.6 | 0 | 0 | 0 | 112.6 | L3154 I3159 L3165 L3188 I3191 F3192 Y3195 D3196 V3197 L3198 E3202 Q3204 | L3154-F3200 HydrophobicContact CD2-CE2 4.28Å; L3154-F3200 HydrophobicContact CD2-CZ 3.79Å; I3159-F3200 HydrophobicContact CB-CD1 4.21Å; I3159-F3200 HydrophobicContact CB-CE1 3.92Å; I3159-F3200 HydrophobicContact CD1-CE1 3.83Å; I3159-F3200 HydrophobicContact CD1-CZ 3.7Å; I3159-F3200 HydrophobicContact CG1-CE1 4.22Å; I3159-F3200 HydrophobicContact CG1-CZ 4.33Å; I3159-F3200 HydrophobicContact CG2-CE1 4.05Å; I3159-F3200 WeakPolarHBondContact O-CE1 3.47Å; L3165-F3200 HydrophobicContact CD1-CB 4.24Å; L3165-F3200 HydrophobicContact CD1-CD1 4.08Å; L3165-F3200 HydrophobicContact CD1-CE1 4.16Å; L3165-F3200 HydrophobicContact CD2-CB 4.27Å; L3165-F3200 HydrophobicContact CD2-CD1 3.5Å; L3165-F3200 HydrophobicContact CD2-CE1 4.04Å; L3165-F3200 HydrophobicContact CD2-CG 4.3Å; L3165-F3200 HydrophobicContact CG-CD1 4.2Å; L3165-F3200 HydrophobicContact CG-CE1 4.06Å; L3188-F3200 HydrophobicContact CD2-CE2 3.72Å; L3188-F3200 HydrophobicContact CD2-CZ 3.79Å; I3191-F3200 HydrophobicContact CG2-CD2 4.48Å; F3192-F3200 HydrophobicContact CE1-CB 3.92Å; F3192-F3200 AromaticContact CE1-CD2 3.9Å; F3192-F3200 HydrophobicContact CE1-CD2 3.9Å; F3192-F3200 AromaticContact CE1-CG 3.86Å; F3192-F3200 HydrophobicContact CE1-CG 3.86Å; F3192-F3200 HydrophobicContact CZ-CD1 4.44Å; F3192-F3200 HydrophobicContact CZ-CD2 4.12Å; F3192-F3200 HydrophobicContact CZ-CE2 4.41Å; F3192-F3200 HydrophobicContact CZ-CG 4.14Å; Y3195-F3200 AromaticContact CD1-CD2 3.64Å; Y3195-F3200 HydrophobicContact CD1-CD2 3.64Å; Y3195-F3200 AromaticContact CD1-CE2 3.16Å; Y3195-F3200 HydrophobicContact CD1-CE2 3.16Å; Y3195-F3200 HydrophobicContact CD1-CZ 4.01Å; Y3195-F3200 AromaticContact CD2-CE2 3.97Å; Y3195-F3200 HydrophobicContact CD2-CE2 3.97Å; Y3195-F3200 HydrophobicContact CE1-CD2 4.2Å; Y3195-F3200 AromaticContact CE1-CE2 3.44Å; Y3195-F3200 HydrophobicContact CE1-CE2 3.44Å; Y3195-F3200 VanDerWaalsContact CE1-CE2 3.44Å; Y3195-F3200 AromaticContact CE1-CZ 3.79Å; Y3195-F3200 HydrophobicContact CE1-CZ 3.79Å; Y3195-F3200 HydrophobicContact CE2-CE2 4.16Å; Y3195-F3200 HydrophobicContact CE2-CZ 4.49Å; Y3195-F3200 HydrophobicContact CG-CD2 4.04Å; Y3195-F3200 AromaticContact CG-CE2 3.45Å; Y3195-F3200 HydrophobicContact CG-CE2 3.45Å; Y3195-F3200 VanDerWaalsContact CG-CE2 3.45Å; Y3195-F3200 HydrophobicContact CG-CZ 4.44Å; Y3195-F3200 AromaticContact CZ-CE2 3.94Å; D3196-F3200 VanDerWaalsContact C-CD2 3.43Å; D3196-F3200 HydrophobicContact CB-CD2 4.33Å; D3196-F3200 HydrophobicContact CB-CE2 4.03Å; D3196-F3200 WeakPolarHBondContact O-CB 3.42Å; D3196-F3200 VanDerWaalsContact O-CD2 3.26Å; D3196-F3200 WeakPolarHBondContact O-CD2 3.4Å; D3196-F3200 WeakPolarHBondContact O-CG 3.39Å; D3196-F3200 PolarHBondContact O-N 3.26Å; V3197-F3200 HydrophobicContact CG2-CD2 4.46Å; V3197-F3200 WeakPolarHBondContact O-CB 3.41Å; V3197-F3200 PolarHBondContact O-N 3.24Å; L3198-F3200 VanDerWaalsContact C-N 3.31Å; L3198-F3200 PolarHBondContact O-N 3.18Å; F3200-E3202 PolarHBondContact O-N 3.46Å; F3200-Q3204 HydrophobicContact CD1-CB 4.35Å; F3200-Q3204 HydrophobicContact CD1-CG 3.69Å; F3200-Q3204 HydrophobicContact CE1-CG 3.77Å; F3200-Q3204 VanDerWaalsContact O-CB 3.28Å; F3200-Q3204 WeakPolarHBondContact O-CB 3.23Å; F3200-Q3204 PolarHBondContact O-N 3.25Å |
| 3201 | F | 38 | Very low | 37.2 | Very low | 40.6 Ų | 40.6 | 76.4 Ų | 76.4 | 18% | 0.178 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -85.2 | -12 | 179.7 | -74.4 | -63.3 | 0 | 0 | 0 | 114.6 | I3169 F3192 V3197 L3198 H3199 K3203 Q3204 C3206 L3207 F3252 F3515 | I3169-F3201 HydrophobicContact CD1-CD1 4.41Å; I3169-F3201 HydrophobicContact CD1-CE1 3.66Å; I3169-F3201 HydrophobicContact CD1-CZ 4.19Å; I3169-F3201 HydrophobicContact CG1-CE1 4.14Å; I3169-F3201 HydrophobicContact CG1-CZ 4.25Å; F3192-F3201 HydrophobicContact CE1-CE2 4.3Å; V3197-F3201 HydrophobicContact CG1-CD2 3.99Å; V3197-F3201 HydrophobicContact CG1-CE2 3.54Å; V3197-F3201 HydrophobicContact CG1-CZ 4.22Å; V3197-F3201 WeakPolarHBondContact O-CD2 3.31Å; V3197-F3201 WeakPolarHBondContact O-CE2 3.42Å; V3197-F3201 PolarHBondContact O-N 3.21Å; L3198-F3201 HydrophobicContact CD2-CD2 4.08Å; L3198-F3201 CarbonylContact O-C 3.56Å; L3198-F3201 WeakPolarHBondContact O-CA 3.39Å; L3198-F3201 WeakPolarHBondContact O-CB 3.17Å; L3198-F3201 PolarHBondContact O-N 2.83Å; L3198-F3201 VanDerWaalsContact O-N 3.07Å; H3199-F3201 VanDerWaalsContact C-N 3.28Å; H3199-F3201 PolarHBondContact O-N 3.07Å; F3201-K3203 PolarHBondContact O-N 3.01Å; F3201-K3203 VanDerWaalsContact O-N 3.13Å; F3201-Q3204 PolarHBondContact O-N 3.16Å; F3201-Q3204 VanDerWaalsContact O-N 3.14Å; F3201-C3206 HydrophobicContact CD1-CB 4.37Å; F3201-C3206 HydrophobicContact CE1-CB 3.92Å; F3201-L3207 HydrophobicContact CB-CD1 3.85Å; F3201-L3207 VanDerWaalsContact CB-CD1 3.48Å; F3201-L3207 HydrophobicContact CB-CD2 4.26Å; F3201-L3207 HydrophobicContact CB-CG 4.16Å; F3201-L3207 HydrophobicContact CD1-CB 4.22Å; F3201-L3207 HydrophobicContact CD1-CD1 4.16Å; F3201-L3207 HydrophobicContact CD1-CD2 3.76Å; F3201-L3207 HydrophobicContact CD1-CG 4.02Å; F3201-L3207 HydrophobicContact CD2-CD1 4.39Å; F3201-L3207 HydrophobicContact CD2-CG 4.46Å; F3201-L3207 HydrophobicContact CE1-CD2 4.2Å; F3201-L3207 HydrophobicContact CE1-CG 4.45Å; F3201-L3207 HydrophobicContact CG-CD1 4.1Å; F3201-L3207 HydrophobicContact CG-CD2 4Å; F3201-L3207 HydrophobicContact CG-CG 4.12Å; F3201-F3252 HydrophobicContact CB-CZ 4.27Å; F3201-F3515 HydrophobicContact CD1-CD2 4.28Å; F3201-F3515 HydrophobicContact CD1-CG 4.43Å; F3201-F3515 HydrophobicContact CE1-CB 3.56Å; F3201-F3515 HydrophobicContact CE1-CD1 4.1Å; F3201-F3515 AromaticContact CE1-CD2 3.41Å; F3201-F3515 HydrophobicContact CE1-CD2 3.41Å; F3201-F3515 VanDerWaalsContact CE1-CD2 3.41Å; F3201-F3515 HydrophobicContact CE1-CE2 4.04Å; F3201-F3515 AromaticContact CE1-CG 3.43Å; F3201-F3515 HydrophobicContact CE1-CG 3.43Å; F3201-F3515 VanDerWaalsContact CE1-CG 3.43Å; F3201-F3515 HydrophobicContact CE2-CD2 4.11Å; F3201-F3515 HydrophobicContact CZ-CB 3.64Å; F3201-F3515 AromaticContact CZ-CD2 3.3Å; F3201-F3515 HydrophobicContact CZ-CD2 3.3Å; F3201-F3515 HydrophobicContact CZ-CE2 4.1Å; F3201-F3515 AromaticContact CZ-CG 3.67Å; F3201-F3515 HydrophobicContact CZ-CG 3.67Å |
| 3202 | E | 37.6 | Very low | 36.8 | Very low | 107 Ų | 107 | 79.3 Ų | 79.3 | 50% | 0.5 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -16.9 | -179.9 | -123.7 | 178.5 | 174.2 | 0 | 0 | 114.2 | L3198 H3199 F3200 R3235 Q3259 | L3198-E3202 PolarHBondContact O-N 2.81Å; H3199-E3202 IonicContact CE1-OE2 2.96Å; H3199-E3202 PolarHBondContact CE1-OE2 3.27Å; H3199-E3202 VanDerWaalsContact CE1-OE2 3.28Å; H3199-E3202 IonicContact CG-OE2 3.59Å; H3199-E3202 IonicContact ND1-OE2 3.03Å; H3199-E3202 PolarHBondContact ND1-OE2 3.02Å; H3199-E3202 VanDerWaalsContact ND1-OE2 3.12Å; H3199-E3202 WeakPolarHBondContact O-CB 3.33Å; H3199-E3202 PolarHBondContact O-N 3.08Å; F3200-E3202 PolarHBondContact O-N 3.46Å; E3202-R3235 IonicContact OE1-CZ 2.72Å; E3202-R3235 IonicContact OE1-NE 3.82Å; E3202-R3235 PolarHBondContact OE1-NE 2.79Å; E3202-R3235 IonicContact OE1-NH2 2.66Å; E3202-R3235 PolarHBondContact OE1-NH2 3.27Å; E3202-R3235 IonicContact OE2-CZ 3.39Å; E3202-R3235 IonicContact OE2-NH2 2.65Å; E3202-R3235 PolarHBondContact OE2-NH2 2.87Å; E3202-Q3259 PolarHBondContact OE1-NE2 3.44Å |
| 3203 | K | 39.4 | Very low | 36.6 | Very low | 167.4 Ų | 167.4 | 78.9 Ų | 78.9 | 73% | 0.728 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127 | 1 | -178.5 | -67.9 | -170.3 | -177.1 | 175.8 | 0 | 116.2 | L3165 I3169 F3201 T3205 | L3165-K3203 PolarHBondContact O-NZ 3.29Å; I3169-K3203 HydrophobicContact CB-CB 4.43Å; I3169-K3203 HydrophobicContact CB-CD 4.08Å; I3169-K3203 HydrophobicContact CD1-CB 4.46Å; I3169-K3203 HydrophobicContact CD1-CD 3.94Å; I3169-K3203 HydrophobicContact CG1-CB 3.71Å; I3169-K3203 HydrophobicContact CG1-CD 3.74Å; I3169-K3203 HydrophobicContact CG1-CG 4.36Å; I3169-K3203 HydrophobicContact CG2-CB 4.09Å; I3169-K3203 HydrophobicContact CG2-CD 4.23Å; F3201-K3203 PolarHBondContact O-N 3.01Å; F3201-K3203 VanDerWaalsContact O-N 3.13Å; K3203-T3205 PolarHBondContact O-N 2.88Å |
| 3204 | Q | 38 | Very low | 36.5 | Very low | 59.4 Ų | 59.4 | 78.5 Ų | 78.5 | 28% | 0.278 | 38% | 0.384 | S | S | . | . | trans | -105.6 | 127.8 | 179.3 | -74.3 | -163 | -2.5 | 0 | 0 | 112.7 | L3165 F3200 F3201 C3206 L3207 K3208 | L3165-Q3204 VanDerWaalsContact CD1-NE2 3.28Å; F3200-Q3204 HydrophobicContact CD1-CB 4.35Å; F3200-Q3204 HydrophobicContact CD1-CG 3.69Å; F3200-Q3204 HydrophobicContact CE1-CG 3.77Å; F3200-Q3204 VanDerWaalsContact O-CB 3.28Å; F3200-Q3204 WeakPolarHBondContact O-CB 3.23Å; F3200-Q3204 PolarHBondContact O-N 3.25Å; F3201-Q3204 PolarHBondContact O-N 3.16Å; F3201-Q3204 VanDerWaalsContact O-N 3.14Å; Q3204-C3206 VanDerWaalsContact C-N 3.27Å; Q3204-C3206 HydrophobicContact CB-CB 4.28Å; Q3204-C3206 WeakPolarHBondContact CB-SG 3.37Å; Q3204-C3206 VanDerWaalsContact CD-SG 3.56Å; Q3204-C3206 HydrophobicContact CG-CB 4.27Å; Q3204-C3206 PolarHBondContact O-N 3.09Å; Q3204-C3206 PolarHBondContact OE1-SG 3Å; Q3204-L3207 PolarHBondContact O-N 3.04Å; Q3204-K3208 PolarHBondContact O-N 2.96Å | ||
| 3205 | T | 36 | Very low | 36.2 | Very low | 88.2 Ų | 88.2 | 79.8 Ų | 79.8 | 54% | 0.541 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -25.4 | 171.5 | 52.6 | 0 | 0 | 0 | 0 | 114.4 | V3173 K3203 L3207 K3208 D3209 I3249 | V3173-T3205 HydrophobicContact CG1-CG2 4.12Å; K3203-T3205 PolarHBondContact O-N 2.88Å; T3205-L3207 VanDerWaalsContact C-N 3.3Å; T3205-L3207 CarbonylContact O-C 3.37Å; T3205-L3207 PolarHBondContact O-N 3.34Å; T3205-K3208 CarbonylContact O-C 3.56Å; T3205-K3208 VanDerWaalsContact O-CA 3.3Å; T3205-K3208 WeakPolarHBondContact O-CA 3.45Å; T3205-K3208 WeakPolarHBondContact O-CB 3.41Å; T3205-K3208 PolarHBondContact O-N 3.25Å; T3205-D3209 VanDerWaalsContact C-CG 3.44Å; T3205-D3209 WeakPolarHBondContact CA-OD1 3.26Å; T3205-D3209 VanDerWaalsContact CB-CG 3.43Å; T3205-D3209 WeakPolarHBondContact CB-OD1 3.43Å; T3205-D3209 VanDerWaalsContact CB-OD2 3.24Å; T3205-D3209 WeakPolarHBondContact CB-OD2 3.24Å; T3205-D3209 WeakPolarHBondContact CG2-OD1 3.37Å; T3205-D3209 VanDerWaalsContact O-CA 3.25Å; T3205-D3209 WeakPolarHBondContact O-CA 3.32Å; T3205-D3209 WeakPolarHBondContact O-CB 3.46Å; T3205-D3209 VanDerWaalsContact O-CG 3.25Å; T3205-D3209 PolarHBondContact O-N 3.14Å; T3205-I3249 HydrophobicContact CG2-CD1 3.51Å |
| 3206 | C | 34.1 | Very low | 35.9 | Very low | 39 Ų | 39 | 79.1 Ų | 79.1 | 26% | 0.264 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.8 | -22 | -176 | -12.3 | 0 | 0 | 0 | 0 | 115 | R3166 I3169 F3201 Q3204 K3208 D3209 F3210 | R3166-C3206 HydrophobicContact CB-CB 4.2Å; R3166-C3206 HydrophobicContact CG-CB 4.2Å; I3169-C3206 HydrophobicContact CD1-CB 3.75Å; I3169-C3206 VanDerWaalsContact CD1-CB 3.44Å; I3169-C3206 WeakPolarHBondContact CD1-SG 3.35Å; F3201-C3206 HydrophobicContact CD1-CB 4.37Å; F3201-C3206 HydrophobicContact CE1-CB 3.92Å; Q3204-C3206 VanDerWaalsContact C-N 3.27Å; Q3204-C3206 HydrophobicContact CB-CB 4.28Å; Q3204-C3206 WeakPolarHBondContact CB-SG 3.37Å; Q3204-C3206 VanDerWaalsContact CD-SG 3.56Å; Q3204-C3206 HydrophobicContact CG-CB 4.27Å; Q3204-C3206 PolarHBondContact O-N 3.09Å; Q3204-C3206 PolarHBondContact OE1-SG 3Å; C3206-K3208 VanDerWaalsContact C-N 3.34Å; C3206-K3208 PolarHBondContact O-N 3.33Å; C3206-D3209 PolarHBondContact O-N 3.02Å; C3206-D3209 VanDerWaalsContact O-N 3.16Å; C3206-F3210 PolarHBondContact O-N 3.42Å |
| 3207 | L | 34.6 | Very low | 35.5 | Very low | 46 Ų | 46 | 78.6 Ų | 78.6 | 24% | 0.241 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -79 | -27.1 | 168 | -102 | 172.7 | 0 | 0 | 0 | 112.2 | F3201 Q3204 T3205 D3209 F3210 F3211 L3253 F3515 | F3201-L3207 HydrophobicContact CB-CD1 3.85Å; F3201-L3207 VanDerWaalsContact CB-CD1 3.48Å; F3201-L3207 HydrophobicContact CB-CD2 4.26Å; F3201-L3207 HydrophobicContact CB-CG 4.16Å; F3201-L3207 HydrophobicContact CD1-CB 4.22Å; F3201-L3207 HydrophobicContact CD1-CD1 4.16Å; F3201-L3207 HydrophobicContact CD1-CD2 3.76Å; F3201-L3207 HydrophobicContact CD1-CG 4.02Å; F3201-L3207 HydrophobicContact CD2-CD1 4.39Å; F3201-L3207 HydrophobicContact CD2-CG 4.46Å; F3201-L3207 HydrophobicContact CE1-CD2 4.2Å; F3201-L3207 HydrophobicContact CE1-CG 4.45Å; F3201-L3207 HydrophobicContact CG-CD1 4.1Å; F3201-L3207 HydrophobicContact CG-CD2 4Å; F3201-L3207 HydrophobicContact CG-CG 4.12Å; Q3204-L3207 PolarHBondContact O-N 3.04Å; T3205-L3207 VanDerWaalsContact C-N 3.3Å; T3205-L3207 CarbonylContact O-C 3.37Å; T3205-L3207 PolarHBondContact O-N 3.34Å; L3207-D3209 VanDerWaalsContact C-N 3.27Å; L3207-D3209 PolarHBondContact O-N 3.23Å; L3207-F3210 HydrophobicContact CD2-CB 4.13Å; L3207-F3210 HydrophobicContact CD2-CD1 4.46Å; L3207-F3210 HydrophobicContact CD2-CG 4.4Å; L3207-F3210 VanDerWaalsContact O-CB 3.26Å; L3207-F3210 WeakPolarHBondContact O-CB 3.25Å; L3207-F3210 PolarHBondContact O-N 3.04Å; L3207-F3210 VanDerWaalsContact O-N 3.11Å; L3207-F3211 HydrophobicContact CB-CD2 4.25Å; L3207-F3211 HydrophobicContact CD2-CD2 4.13Å; L3207-F3211 HydrophobicContact CD2-CE2 3.95Å; L3207-F3211 WeakPolarHBondContact O-CB 3.4Å; L3207-F3211 VanDerWaalsContact O-CD2 3.26Å; L3207-F3211 WeakPolarHBondContact O-CD2 3.36Å; L3207-F3211 PolarHBondContact O-N 3.14Å; L3207-L3253 HydrophobicContact CB-CD1 3.82Å; L3207-L3253 HydrophobicContact CB-CD2 3.91Å; L3207-L3253 HydrophobicContact CB-CG 4.16Å; L3207-L3253 HydrophobicContact CD1-CD1 3.59Å; L3207-L3253 HydrophobicContact CD1-CD2 3.94Å; L3207-L3253 HydrophobicContact CD1-CG 4.37Å; L3207-L3253 HydrophobicContact CD2-CD2 4.1Å; L3207-L3253 HydrophobicContact CG-CD1 4.33Å; L3207-L3253 HydrophobicContact CG-CD2 4.21Å; L3207-F3515 HydrophobicContact CD1-CE1 4.27Å; L3207-F3515 HydrophobicContact CD1-CE2 4.39Å; L3207-F3515 HydrophobicContact CD1-CZ 3.82Å; L3207-F3515 HydrophobicContact CD2-CE1 4.25Å; L3207-F3515 HydrophobicContact CD2-CZ 4.33Å; L3207-F3515 HydrophobicContact CG-CE1 3.72Å; L3207-F3515 HydrophobicContact CG-CZ 3.79Å |
| 3208 | K | 34.4 | Very low | 35.2 | Very low | 94.8 Ų | 94.8 | 79.5 Ų | 79.5 | 41% | 0.412 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 173.8 | -129.2 | -175.8 | 174.2 | -128.7 | 0 | 111.4 | Q3204 T3205 C3206 F3210 F3211 E3212 S3215 F3252 | Q3204-K3208 PolarHBondContact O-N 2.96Å; T3205-K3208 CarbonylContact O-C 3.56Å; T3205-K3208 VanDerWaalsContact O-CA 3.3Å; T3205-K3208 WeakPolarHBondContact O-CA 3.45Å; T3205-K3208 WeakPolarHBondContact O-CB 3.41Å; T3205-K3208 PolarHBondContact O-N 3.25Å; C3206-K3208 VanDerWaalsContact C-N 3.34Å; C3206-K3208 PolarHBondContact O-N 3.33Å; K3208-F3210 VanDerWaalsContact C-N 3.34Å; K3208-F3210 PolarHBondContact O-N 3.24Å; K3208-F3210 VanDerWaalsContact O-N 3.09Å; K3208-F3211 CarbonylContact O-C 3.59Å; K3208-F3211 WeakPolarHBondContact O-CA 3.45Å; K3208-F3211 PolarHBondContact O-N 3.2Å; K3208-E3212 VanDerWaalsContact CD-OE1 3.32Å; K3208-E3212 WeakPolarHBondContact CD-OE1 3.26Å; K3208-E3212 VanDerWaalsContact CE-OE1 3.25Å; K3208-E3212 WeakPolarHBondContact CE-OE1 3.32Å; K3208-E3212 HydrophobicContact CG-CB 4.38Å; K3208-E3212 HydrophobicContact CG-CG 4.1Å; K3208-E3212 IonicContact NZ-OE1 3.25Å; K3208-E3212 PolarHBondContact NZ-OE1 3.28Å; K3208-E3212 IonicContact NZ-OE2 2.69Å; K3208-E3212 PolarHBondContact NZ-OE2 3.16Å; K3208-E3212 VanDerWaalsContact O-CA 3.31Å; K3208-E3212 WeakPolarHBondContact O-CA 3.36Å; K3208-E3212 WeakPolarHBondContact O-CB 3.4Å; K3208-E3212 VanDerWaalsContact O-CG 3.23Å; K3208-E3212 WeakPolarHBondContact O-CG 3.34Å; K3208-E3212 PolarHBondContact O-N 3.05Å; K3208-E3212 VanDerWaalsContact O-N 3.09Å; K3208-S3215 VanDerWaalsContact CD-CB 3.4Å; K3208-S3215 WeakPolarHBondContact CD-OG 3.3Å; K3208-S3215 WeakPolarHBondContact CE-OG 3.28Å; K3208-S3215 PolarHBondContact NZ-OG 3.29Å; K3208-F3252 HydrophobicContact CB-CD1 4.18Å; K3208-F3252 HydrophobicContact CB-CE1 4.32Å; K3208-F3252 HydrophobicContact CG-CD1 3.4Å; K3208-F3252 HydrophobicContact CG-CD2 4.29Å; K3208-F3252 HydrophobicContact CG-CE1 3.49Å; K3208-F3252 VanDerWaalsContact CG-CE1 3.49Å; K3208-F3252 HydrophobicContact CG-CE2 4.35Å; K3208-F3252 HydrophobicContact CG-CG 3.83Å; K3208-F3252 HydrophobicContact CG-CZ 3.98Å; K3208-F3252 WeakPolarHBondContact O-CE1 3.5Å |
| 3209 | D | 35.7 | Very low | 35 | Very low | 84.2 Ų | 84.2 | 81.1 Ų | 81.1 | 45% | 0.45 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.3 | -33.1 | 175.8 | -60.9 | -22.4 | 0 | 0 | 0 | 112.2 | T3205 C3206 L3207 F3211 E3212 V3213 | T3205-D3209 VanDerWaalsContact C-CG 3.44Å; T3205-D3209 WeakPolarHBondContact CA-OD1 3.26Å; T3205-D3209 VanDerWaalsContact CB-CG 3.43Å; T3205-D3209 WeakPolarHBondContact CB-OD1 3.43Å; T3205-D3209 VanDerWaalsContact CB-OD2 3.24Å; T3205-D3209 WeakPolarHBondContact CB-OD2 3.24Å; T3205-D3209 WeakPolarHBondContact CG2-OD1 3.37Å; T3205-D3209 VanDerWaalsContact O-CA 3.25Å; T3205-D3209 WeakPolarHBondContact O-CA 3.32Å; T3205-D3209 WeakPolarHBondContact O-CB 3.46Å; T3205-D3209 VanDerWaalsContact O-CG 3.25Å; T3205-D3209 PolarHBondContact O-N 3.14Å; C3206-D3209 PolarHBondContact O-N 3.02Å; C3206-D3209 VanDerWaalsContact O-N 3.16Å; L3207-D3209 VanDerWaalsContact C-N 3.27Å; L3207-D3209 PolarHBondContact O-N 3.23Å; D3209-F3211 VanDerWaalsContact C-N 3.34Å; D3209-F3211 PolarHBondContact O-N 3.33Å; D3209-E3212 WeakPolarHBondContact O-CA 3.18Å; D3209-E3212 PolarHBondContact O-N 2.87Å; D3209-E3212 VanDerWaalsContact O-N 3.1Å; D3209-V3213 VanDerWaalsContact CA-N 3.31Å; D3209-V3213 HydrophobicContact CB-CB 3.61Å; D3209-V3213 HydrophobicContact CB-CG2 3.69Å; D3209-V3213 WeakPolarHBondContact O-CB 3.22Å; D3209-V3213 WeakPolarHBondContact O-CG2 3.14Å; D3209-V3213 PolarHBondContact O-N 3.34Å; D3209-V3213 WeakPolarHBondContact OD1-CG2 3.49Å |
| 3210 | F | 33.7 | Very low | 34.9 | Very low | 91.4 Ų | 91.4 | 79 Ų | 79 | 40% | 0.401 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.4 | -32.8 | 177.6 | -163.7 | -97.2 | 0 | 0 | 0 | 113.1 | I3169 V3173 F3192 C3206 L3207 K3208 E3212 K3214 W3494 S3497 | I3169-F3210 HydrophobicContact CG2-CB 4.3Å; V3173-F3210 HydrophobicContact CG2-CD2 4.36Å; F3192-F3210 HydrophobicContact CE1-CZ 4.16Å; F3192-F3210 HydrophobicContact CE2-CE2 4.12Å; F3192-F3210 AromaticContact CE2-CZ 3.82Å; F3192-F3210 HydrophobicContact CE2-CZ 3.82Å; F3192-F3210 HydrophobicContact CZ-CE1 4.32Å; F3192-F3210 AromaticContact CZ-CE2 3.55Å; F3192-F3210 HydrophobicContact CZ-CE2 3.55Å; F3192-F3210 AromaticContact CZ-CZ 3.31Å; F3192-F3210 HydrophobicContact CZ-CZ 3.31Å; C3206-F3210 PolarHBondContact O-N 3.42Å; L3207-F3210 HydrophobicContact CD2-CB 4.13Å; L3207-F3210 HydrophobicContact CD2-CD1 4.46Å; L3207-F3210 HydrophobicContact CD2-CG 4.4Å; L3207-F3210 VanDerWaalsContact O-CB 3.26Å; L3207-F3210 WeakPolarHBondContact O-CB 3.25Å; L3207-F3210 PolarHBondContact O-N 3.04Å; L3207-F3210 VanDerWaalsContact O-N 3.11Å; K3208-F3210 VanDerWaalsContact C-N 3.34Å; K3208-F3210 PolarHBondContact O-N 3.24Å; K3208-F3210 VanDerWaalsContact O-N 3.09Å; F3210-E3212 VanDerWaalsContact C-N 3.27Å; F3210-K3214 HydrophobicContact CE1-CD 4.4Å; F3210-K3214 HydrophobicContact CZ-CD 4.29Å; F3210-W3494 AromaticContact CE2-CD1 3.7Å; F3210-W3494 HydrophobicContact CZ-CB 4.34Å; F3210-W3494 AromaticContact CZ-CD1 3.2Å; F3210-W3494 HydrophobicContact CZ-CG 4.04Å; F3210-W3494 AromaticContact CZ-NE1 3.99Å; F3210-S3497 WeakPolarHBondContact CE1-OG 3.45Å; F3210-S3497 WeakPolarHBondContact CZ-OG 3.48Å |
| 3211 | F | 35.1 | Very low | 35.4 | Very low | 73 Ų | 73 | 77.4 Ų | 77.4 | 32% | 0.32 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -95.4 | -18.1 | 175.5 | -74.6 | -72.4 | 0 | 0 | 0 | 113.7 | L3198 L3207 K3208 D3209 V3213 K3214 S3215 Y3225 F3229 F3252 L3253 L3257 I3260 L3493 | L3198-F3211 HydrophobicContact CD2-CD1 3.51Å; L3198-F3211 HydrophobicContact CD2-CE1 3.66Å; L3198-F3211 HydrophobicContact CD2-CG 4.23Å; L3198-F3211 HydrophobicContact CD2-CZ 4.46Å; L3207-F3211 HydrophobicContact CB-CD2 4.25Å; L3207-F3211 HydrophobicContact CD2-CD2 4.13Å; L3207-F3211 HydrophobicContact CD2-CE2 3.95Å; L3207-F3211 WeakPolarHBondContact O-CB 3.4Å; L3207-F3211 VanDerWaalsContact O-CD2 3.26Å; L3207-F3211 WeakPolarHBondContact O-CD2 3.36Å; L3207-F3211 PolarHBondContact O-N 3.14Å; K3208-F3211 CarbonylContact O-C 3.59Å; K3208-F3211 WeakPolarHBondContact O-CA 3.45Å; K3208-F3211 PolarHBondContact O-N 3.2Å; D3209-F3211 VanDerWaalsContact C-N 3.34Å; D3209-F3211 PolarHBondContact O-N 3.33Å; F3211-V3213 PolarHBondContact O-N 2.98Å; F3211-V3213 VanDerWaalsContact O-N 3.1Å; F3211-K3214 HydrophobicContact CD1-CB 4.25Å; F3211-K3214 CarbonylContact O-C 3.53Å; F3211-K3214 WeakPolarHBondContact O-CA 3.44Å; F3211-K3214 PolarHBondContact O-N 3.12Å; F3211-S3215 WeakPolarHBondContact O-CB 3.19Å; F3211-S3215 PolarHBondContact O-N 3.41Å; F3211-S3215 VanDerWaalsContact O-N 3.1Å; F3211-S3215 PolarHBondContact O-OG 3.12Å; F3211-Y3225 AromaticContact CD1-CD1 3.79Å; F3211-Y3225 HydrophobicContact CD1-CD1 3.79Å; F3211-Y3225 AromaticContact CD1-CE1 3.47Å; F3211-Y3225 HydrophobicContact CD1-CE1 3.47Å; F3211-Y3225 VanDerWaalsContact CD1-CE1 3.47Å; F3211-Y3225 HydrophobicContact CD1-CE2 4.29Å; F3211-Y3225 HydrophobicContact CD1-CG 4.35Å; F3211-Y3225 AromaticContact CD1-CZ 3.73Å; F3211-Y3225 AromaticContact CE1-CD1 3.79Å; F3211-Y3225 HydrophobicContact CE1-CD1 3.79Å; F3211-Y3225 AromaticContact CE1-CE1 3.54Å; F3211-Y3225 HydrophobicContact CE1-CE1 3.54Å; F3211-F3229 HydrophobicContact CD1-CZ 4.15Å; F3211-F3229 HydrophobicContact CE1-CE1 4.27Å; F3211-F3229 AromaticContact CE1-CZ 3.71Å; F3211-F3229 HydrophobicContact CE1-CZ 3.71Å; F3211-F3229 HydrophobicContact CZ-CE1 4.3Å; F3211-F3229 HydrophobicContact CZ-CZ 4.06Å; F3211-F3252 HydrophobicContact CB-CE1 4.22Å; F3211-L3253 HydrophobicContact CD2-CD2 3.71Å; F3211-L3253 HydrophobicContact CE2-CD2 3.49Å; F3211-L3253 VanDerWaalsContact CE2-CD2 3.49Å; F3211-L3257 HydrophobicContact CE1-CD2 4.05Å; F3211-L3257 HydrophobicContact CE1-CG 4.4Å; F3211-L3257 HydrophobicContact CZ-CD2 3.76Å; F3211-L3257 HydrophobicContact CZ-CG 4.1Å; F3211-I3260 HydrophobicContact CD1-CD1 3.73Å; F3211-I3260 HydrophobicContact CE1-CD1 3.82Å; F3211-L3493 HydrophobicContact CZ-CD2 4.16Å |
| 3212 | E | 33.2 | Very low | 36.1 | Very low | 101.2 Ų | 101.2 | 78.3 Ų | 78.3 | 47% | 0.473 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -9.5 | -178.7 | -120 | 172.5 | -149.5 | 0 | 0 | 113.7 | K3208 D3209 F3210 K3214 S3215 S3216 F3252 | K3208-E3212 VanDerWaalsContact CD-OE1 3.32Å; K3208-E3212 WeakPolarHBondContact CD-OE1 3.26Å; K3208-E3212 VanDerWaalsContact CE-OE1 3.25Å; K3208-E3212 WeakPolarHBondContact CE-OE1 3.32Å; K3208-E3212 HydrophobicContact CG-CB 4.38Å; K3208-E3212 HydrophobicContact CG-CG 4.1Å; K3208-E3212 IonicContact NZ-OE1 3.25Å; K3208-E3212 PolarHBondContact NZ-OE1 3.28Å; K3208-E3212 IonicContact NZ-OE2 2.69Å; K3208-E3212 PolarHBondContact NZ-OE2 3.16Å; K3208-E3212 VanDerWaalsContact O-CA 3.31Å; K3208-E3212 WeakPolarHBondContact O-CA 3.36Å; K3208-E3212 WeakPolarHBondContact O-CB 3.4Å; K3208-E3212 VanDerWaalsContact O-CG 3.23Å; K3208-E3212 WeakPolarHBondContact O-CG 3.34Å; K3208-E3212 PolarHBondContact O-N 3.05Å; K3208-E3212 VanDerWaalsContact O-N 3.09Å; D3209-E3212 WeakPolarHBondContact O-CA 3.18Å; D3209-E3212 PolarHBondContact O-N 2.87Å; D3209-E3212 VanDerWaalsContact O-N 3.1Å; F3210-E3212 VanDerWaalsContact C-N 3.27Å; E3212-K3214 VanDerWaalsContact C-N 3.32Å; E3212-K3214 PolarHBondContact O-N 3.23Å; E3212-S3215 VanDerWaalsContact C-N 3.34Å; E3212-S3215 WeakPolarHBondContact CA-OG 3.27Å; E3212-S3215 WeakPolarHBondContact CG-OG 3.44Å; E3212-S3215 WeakPolarHBondContact O-CA 3.43Å; E3212-S3215 VanDerWaalsContact O-CB 3.22Å; E3212-S3215 WeakPolarHBondContact O-CB 3.23Å; E3212-S3215 PolarHBondContact O-N 3.41Å; E3212-S3215 PolarHBondContact O-OG 3.2Å; E3212-S3216 PolarHBondContact O-N 3.26Å; E3212-F3252 HydrophobicContact CB-CZ 3.89Å; E3212-F3252 HydrophobicContact CG-CE2 4.33Å; E3212-F3252 HydrophobicContact CG-CZ 3.78Å; E3212-F3252 WeakPolarHBondContact OE1-CE2 3.49Å; E3212-F3252 WeakPolarHBondContact OE1-CZ 3.35Å |
| 3213 | V | 35.8 | Very low | 37.2 | Very low | 72.6 Ų | 72.6 | 77.8 Ų | 77.8 | 44% | 0.44 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -4.8 | 171.5 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | V3173 D3209 F3211 S3215 S3216 L3218 L3504 | V3173-V3213 HydrophobicContact CG1-CB 4.13Å; V3173-V3213 HydrophobicContact CG1-CG1 4.19Å; V3173-V3213 HydrophobicContact CG1-CG2 3.77Å; D3209-V3213 VanDerWaalsContact CA-N 3.31Å; D3209-V3213 HydrophobicContact CB-CB 3.61Å; D3209-V3213 HydrophobicContact CB-CG2 3.69Å; D3209-V3213 WeakPolarHBondContact O-CB 3.22Å; D3209-V3213 WeakPolarHBondContact O-CG2 3.14Å; D3209-V3213 PolarHBondContact O-N 3.34Å; D3209-V3213 WeakPolarHBondContact OD1-CG2 3.49Å; F3211-V3213 PolarHBondContact O-N 2.98Å; F3211-V3213 VanDerWaalsContact O-N 3.1Å; V3213-S3215 PolarHBondContact O-N 3.08Å; V3213-S3216 PolarHBondContact O-OG 3.19Å; V3213-L3218 HydrophobicContact CB-CD1 3.94Å; V3213-L3218 HydrophobicContact CB-CG 4.32Å; V3213-L3218 HydrophobicContact CG1-CD1 3.72Å; V3213-L3218 HydrophobicContact CG1-CD2 3.75Å; V3213-L3218 HydrophobicContact CG1-CG 3.54Å; V3213-L3504 HydrophobicContact CG1-CB 4Å; V3213-L3504 HydrophobicContact CG1-CD1 3.6Å; V3213-L3504 HydrophobicContact CG1-CG 4.42Å |
| 3214 | K | 36.5 | Very low | 38.2 | Very low | 89.6 Ų | 89.6 | 70.4 Ų | 70.4 | 39% | 0.39 | 40% | 0.4 | S | S | . | . | trans | -85.9 | -4 | 177.2 | -90.7 | -176.8 | 169.9 | -178.7 | 0 | 113.1 | F3210 F3211 E3212 S3216 C3217 L3218 C3500 | F3210-K3214 HydrophobicContact CE1-CD 4.4Å; F3210-K3214 HydrophobicContact CZ-CD 4.29Å; F3211-K3214 HydrophobicContact CD1-CB 4.25Å; F3211-K3214 CarbonylContact O-C 3.53Å; F3211-K3214 WeakPolarHBondContact O-CA 3.44Å; F3211-K3214 PolarHBondContact O-N 3.12Å; E3212-K3214 VanDerWaalsContact C-N 3.32Å; E3212-K3214 PolarHBondContact O-N 3.23Å; K3214-S3216 VanDerWaalsContact C-N 3.29Å; K3214-S3216 PolarHBondContact O-N 3.2Å; K3214-S3216 VanDerWaalsContact O-N 3.1Å; K3214-C3217 CarbonylContact O-C 3.59Å; K3214-C3217 WeakPolarHBondContact O-CA 3.47Å; K3214-C3217 PolarHBondContact O-N 3.22Å; K3214-C3217 VanDerWaalsContact O-N 3.1Å; K3214-L3218 HydrophobicContact CB-CD1 3.99Å; K3214-L3218 VanDerWaalsContact CB-CD1 3.42Å; K3214-L3218 HydrophobicContact CB-CG 4Å; K3214-L3218 HydrophobicContact CD-CD1 3.66Å; K3214-L3218 HydrophobicContact CD-CG 4.42Å; K3214-L3218 HydrophobicContact CG-CD1 3.41Å; K3214-L3218 VanDerWaalsContact CG-CD1 3.41Å; K3214-L3218 HydrophobicContact CG-CD2 4.27Å; K3214-L3218 HydrophobicContact CG-CG 3.78Å; K3214-L3218 WeakPolarHBondContact O-CB 3.19Å; K3214-L3218 VanDerWaalsContact O-CD1 3.27Å; K3214-L3218 WeakPolarHBondContact O-CD1 3.26Å; K3214-L3218 WeakPolarHBondContact O-CG 3.35Å; K3214-L3218 PolarHBondContact O-N 3.22Å; K3214-C3500 WeakPolarHBondContact CE-O 3.41Å; K3214-C3500 PolarHBondContact NZ-O 3.08Å | ||
| 3215 | S | 30.7 | Very low | 39.3 | Very low | 68.4 Ų | 68.4 | 70.4 Ų | 70.4 | 48% | 0.478 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69 | -20.7 | -171.2 | 70.9 | 0 | 0 | 0 | 0 | 115.4 | K3208 F3211 E3212 V3213 C3217 L3218 A3219 | K3208-S3215 VanDerWaalsContact CD-CB 3.4Å; K3208-S3215 WeakPolarHBondContact CD-OG 3.3Å; K3208-S3215 WeakPolarHBondContact CE-OG 3.28Å; K3208-S3215 PolarHBondContact NZ-OG 3.29Å; F3211-S3215 WeakPolarHBondContact O-CB 3.19Å; F3211-S3215 PolarHBondContact O-N 3.41Å; F3211-S3215 VanDerWaalsContact O-N 3.1Å; F3211-S3215 PolarHBondContact O-OG 3.12Å; E3212-S3215 VanDerWaalsContact C-N 3.34Å; E3212-S3215 WeakPolarHBondContact CA-OG 3.27Å; E3212-S3215 WeakPolarHBondContact CG-OG 3.44Å; E3212-S3215 WeakPolarHBondContact O-CA 3.43Å; E3212-S3215 VanDerWaalsContact O-CB 3.22Å; E3212-S3215 WeakPolarHBondContact O-CB 3.23Å; E3212-S3215 PolarHBondContact O-N 3.41Å; E3212-S3215 PolarHBondContact O-OG 3.2Å; V3213-S3215 PolarHBondContact O-N 3.08Å; S3215-C3217 VanDerWaalsContact C-N 3.26Å; S3215-C3217 PolarHBondContact O-N 3.29Å; S3215-C3217 VanDerWaalsContact O-N 3.13Å; S3215-L3218 CarbonylContact O-C 3.48Å; S3215-L3218 WeakPolarHBondContact O-CA 3.35Å; S3215-L3218 PolarHBondContact O-N 3.22Å; S3215-A3219 PolarHBondContact O-N 2.74Å; S3215-A3219 VanDerWaalsContact O-N 3.1Å |
| 3216 | S | 30.1 | Very low | 40.5 | Very low | 97.4 Ų | 97.4 | 67 Ų | 67 | 68% | 0.681 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -21.5 | 177.3 | 51.6 | 0 | 0 | 0 | 0 | 113.8 | E3212 V3213 K3214 | E3212-S3216 PolarHBondContact O-N 3.26Å; V3213-S3216 PolarHBondContact O-OG 3.19Å; K3214-S3216 VanDerWaalsContact C-N 3.29Å; K3214-S3216 PolarHBondContact O-N 3.2Å; K3214-S3216 VanDerWaalsContact O-N 3.1Å |
| 3217 | C | 30.9 | Very low | 42 | Very low | 82.4 Ų | 82.4 | 65.3 Ų | 65.3 | 56% | 0.557 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -101.3 | -9.2 | 177.7 | -72.5 | 0 | 0 | 0 | 0 | 114.4 | K3214 S3215 A3219 S3220 S3221 | K3214-C3217 CarbonylContact O-C 3.59Å; K3214-C3217 WeakPolarHBondContact O-CA 3.47Å; K3214-C3217 PolarHBondContact O-N 3.22Å; K3214-C3217 VanDerWaalsContact O-N 3.1Å; S3215-C3217 VanDerWaalsContact C-N 3.26Å; S3215-C3217 PolarHBondContact O-N 3.29Å; S3215-C3217 VanDerWaalsContact O-N 3.13Å; C3217-A3219 VanDerWaalsContact C-N 3.3Å; C3217-A3219 PolarHBondContact O-N 3Å; C3217-S3220 PolarHBondContact O-N 3.22Å; C3217-S3220 PolarHBondContact O-OG 3.36Å; C3217-S3221 PolarHBondContact O-N 3.47Å |
| 3218 | L | 32 | Very low | 43.4 | Very low | 50 Ų | 50 | 63.7 Ų | 63.7 | 26% | 0.262 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -91.5 | 2.1 | -172.7 | -75.6 | 166.1 | 0 | 0 | 0 | 114.7 | L3198 V3213 K3214 S3215 S3220 S3221 S3222 Y3225 | L3198-L3218 HydrophobicContact CD1-CD1 3.34Å; L3198-L3218 HydrophobicContact CD1-CD2 3.56Å; L3198-L3218 HydrophobicContact CD1-CG 4.09Å; L3198-L3218 HydrophobicContact CD2-CD1 3.62Å; L3198-L3218 HydrophobicContact CG-CD1 4.04Å; V3213-L3218 HydrophobicContact CB-CD1 3.94Å; V3213-L3218 HydrophobicContact CB-CG 4.32Å; V3213-L3218 HydrophobicContact CG1-CD1 3.72Å; V3213-L3218 HydrophobicContact CG1-CD2 3.75Å; V3213-L3218 HydrophobicContact CG1-CG 3.54Å; K3214-L3218 HydrophobicContact CB-CD1 3.99Å; K3214-L3218 VanDerWaalsContact CB-CD1 3.42Å; K3214-L3218 HydrophobicContact CB-CG 4Å; K3214-L3218 HydrophobicContact CD-CD1 3.66Å; K3214-L3218 HydrophobicContact CD-CG 4.42Å; K3214-L3218 HydrophobicContact CG-CD1 3.41Å; K3214-L3218 VanDerWaalsContact CG-CD1 3.41Å; K3214-L3218 HydrophobicContact CG-CD2 4.27Å; K3214-L3218 HydrophobicContact CG-CG 3.78Å; K3214-L3218 WeakPolarHBondContact O-CB 3.19Å; K3214-L3218 VanDerWaalsContact O-CD1 3.27Å; K3214-L3218 WeakPolarHBondContact O-CD1 3.26Å; K3214-L3218 WeakPolarHBondContact O-CG 3.35Å; K3214-L3218 PolarHBondContact O-N 3.22Å; S3215-L3218 CarbonylContact O-C 3.48Å; S3215-L3218 WeakPolarHBondContact O-CA 3.35Å; S3215-L3218 PolarHBondContact O-N 3.22Å; L3218-S3220 VanDerWaalsContact C-N 3.26Å; L3218-S3220 PolarHBondContact O-N 3.11Å; L3218-S3220 VanDerWaalsContact O-N 3.08Å; L3218-S3221 WeakPolarHBondContact CA-OG 3.39Å; L3218-S3221 VanDerWaalsContact CB-OG 3.26Å; L3218-S3221 WeakPolarHBondContact CB-OG 3.18Å; L3218-S3221 VanDerWaalsContact CD1-OG 3.24Å; L3218-S3221 WeakPolarHBondContact CD1-OG 3.46Å; L3218-S3221 VanDerWaalsContact CD2-OG 3.24Å; L3218-S3221 WeakPolarHBondContact CD2-OG 3.4Å; L3218-S3221 PolarHBondContact O-N 3.3Å; L3218-S3221 PolarHBondContact O-OG 3.21Å; L3218-S3222 PolarHBondContact O-N 3.31Å; L3218-Y3225 HydrophobicContact CD1-CE2 4.39Å; L3218-Y3225 HydrophobicContact CD2-CD2 4.01Å; L3218-Y3225 HydrophobicContact CD2-CE2 3.85Å; L3218-Y3225 VanDerWaalsContact CD2-CE2 3.47Å |
| 3219 | A | 32.4 | Very low | 44.9 | Very low | 90.8 Ų | 90.8 | 59.9 Ų | 59.9 | 75% | 0.75 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S3215 C3217 S3222 | S3215-A3219 PolarHBondContact O-N 2.74Å; S3215-A3219 VanDerWaalsContact O-N 3.1Å; C3217-A3219 VanDerWaalsContact C-N 3.3Å; C3217-A3219 PolarHBondContact O-N 3Å; A3219-S3222 PolarHBondContact O-OG 2.82Å |
| 3220 | S | 36 | Very low | 46.5 | Very low | 58.8 Ų | 58.8 | 56.1 Ų | 56.1 | 41% | 0.411 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -23.3 | 178.2 | 52.4 | 0 | 0 | 0 | 0 | 115.1 | C3217 L3218 H3224 R3348 | C3217-S3220 PolarHBondContact O-N 3.22Å; C3217-S3220 PolarHBondContact O-OG 3.36Å; L3218-S3220 VanDerWaalsContact C-N 3.26Å; L3218-S3220 PolarHBondContact O-N 3.11Å; L3218-S3220 VanDerWaalsContact O-N 3.08Å; S3220-H3224 PolarHBondContact O-CE1 3.04Å; S3220-H3224 PolarHBondContact O-ND1 3.13Å; S3220-R3348 VanDerWaalsContact CB-NE 3.27Å; S3220-R3348 PolarHBondContact OG-NE 3.38Å; S3220-R3348 PolarHBondContact OG-NH2 3.31Å |
| 3221 | S | 48.2 | Very low | 48 | Very low | 23.6 Ų | 23.6 | 53.7 Ų | 53.7 | 17% | 0.165 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -5.3 | -172.6 | 68.2 | 0 | 0 | 0 | 0 | 114.8 | C3217 L3218 K3223 H3224 Y3225 | C3217-S3221 PolarHBondContact O-N 3.47Å; L3218-S3221 WeakPolarHBondContact CA-OG 3.39Å; L3218-S3221 VanDerWaalsContact CB-OG 3.26Å; L3218-S3221 WeakPolarHBondContact CB-OG 3.18Å; L3218-S3221 VanDerWaalsContact CD1-OG 3.24Å; L3218-S3221 WeakPolarHBondContact CD1-OG 3.46Å; L3218-S3221 VanDerWaalsContact CD2-OG 3.24Å; L3218-S3221 WeakPolarHBondContact CD2-OG 3.4Å; L3218-S3221 PolarHBondContact O-N 3.3Å; L3218-S3221 PolarHBondContact O-OG 3.21Å; S3221-K3223 VanDerWaalsContact C-N 3.31Å; S3221-K3223 PolarHBondContact O-N 3.12Å; S3221-K3223 VanDerWaalsContact O-N 3.15Å; S3221-H3224 WeakPolarHBondContact O-CA 3.5Å; S3221-H3224 WeakPolarHBondContact O-CB 3.49Å; S3221-H3224 PolarHBondContact O-N 3.16Å; S3221-H3224 VanDerWaalsContact O-N 3.12Å; S3221-Y3225 VanDerWaalsContact O-CD2 3.24Å; S3221-Y3225 WeakPolarHBondContact O-CD2 3.44Å; S3221-Y3225 PolarHBondContact O-N 3.35Å; S3221-Y3225 VanDerWaalsContact O-N 3.14Å; S3221-Y3225 WeakPolarHBondContact OG-CE2 3.29Å |
| 3222 | S | 53 | Low | 49.5 | Very low | 59.4 Ų | 59.4 | 50.7 Ų | 50.7 | 42% | 0.415 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -53.9 | -37 | -177.7 | 59 | 0 | 0 | 0 | 0 | 113.2 | L3218 A3219 H3224 Y3225 M3226 | L3218-S3222 PolarHBondContact O-N 3.31Å; A3219-S3222 PolarHBondContact O-OG 2.82Å; S3222-H3224 VanDerWaalsContact C-N 3.35Å; S3222-H3224 PolarHBondContact O-N 2.97Å; S3222-Y3225 PolarHBondContact O-N 3.06Å; S3222-M3226 VanDerWaalsContact O-CG 3.3Å; S3222-M3226 WeakPolarHBondContact O-CG 3.3Å; S3222-M3226 PolarHBondContact O-N 3.1Å |
| 3223 | K | 60.8 | Low | 51.4 | Low | 97 Ų | 97 | 45.9 Ų | 45.9 | 42% | 0.422 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 176.5 | -64.8 | -177 | 179.3 | -178.5 | 0 | 112.9 | S3221 M3226 I3227 L3316 I3320 E3323 | S3221-K3223 VanDerWaalsContact C-N 3.31Å; S3221-K3223 PolarHBondContact O-N 3.12Å; S3221-K3223 VanDerWaalsContact O-N 3.15Å; K3223-M3226 WeakPolarHBondContact O-CB 3.36Å; K3223-M3226 PolarHBondContact O-N 3.02Å; K3223-I3227 WeakPolarHBondContact O-CG1 3.3Å; K3223-I3227 PolarHBondContact O-N 3.25Å; K3223-L3316 HydrophobicContact CB-CD1 4.4Å; K3223-L3316 HydrophobicContact CB-CD2 4.13Å; K3223-L3316 HydrophobicContact CD-CD2 4.04Å; K3223-L3316 HydrophobicContact CG-CD2 3.99Å; K3223-I3320 HydrophobicContact CB-CD1 4.28Å; K3223-I3320 HydrophobicContact CD-CG1 4.4Å; K3223-E3323 IonicContact NZ-OE1 3.78Å; K3223-E3323 PolarHBondContact NZ-OE1 3.28Å; K3223-E3323 IonicContact NZ-OE2 3.99Å; K3223-E3323 PolarHBondContact NZ-OE2 2.85Å |
| 3224 | H | 61.5 | Low | 53.1 | Low | 11.6 Ų | 11.6 | 44.2 Ų | 44.2 | 5% | 0.054 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.5 | -40.8 | -178 | -61.5 | 85.5 | 0 | 0 | 0 | 111.9 | S3220 S3221 S3222 M3226 I3227 L3228 R3348 E3351 T3352 F3355 | S3220-H3224 PolarHBondContact O-CE1 3.04Å; S3220-H3224 PolarHBondContact O-ND1 3.13Å; S3221-H3224 WeakPolarHBondContact O-CA 3.5Å; S3221-H3224 WeakPolarHBondContact O-CB 3.49Å; S3221-H3224 PolarHBondContact O-N 3.16Å; S3221-H3224 VanDerWaalsContact O-N 3.12Å; S3222-H3224 VanDerWaalsContact C-N 3.35Å; S3222-H3224 PolarHBondContact O-N 2.97Å; H3224-M3226 VanDerWaalsContact C-N 3.32Å; H3224-M3226 PolarHBondContact O-N 3.27Å; H3224-I3227 WeakPolarHBondContact O-CB 3.4Å; H3224-I3227 PolarHBondContact O-N 3.01Å; H3224-L3228 PolarHBondContact O-N 3.17Å; H3224-L3228 VanDerWaalsContact O-N 3.12Å; H3224-R3348 PolarHBondContact NE2-O 2.94Å; H3224-E3351 IonicContact CE1-OE1 3.21Å; H3224-E3351 PolarHBondContact CE1-OE1 3.33Å; H3224-E3351 IonicContact CE1-OE2 3.31Å; H3224-E3351 IonicContact NE2-OE2 3.97Å; H3224-T3352 PolarHBondContact CD2-N 3.24Å; H3224-T3352 PolarHBondContact CD2-OG1 2.94Å; H3224-T3352 VanDerWaalsContact CD2-OG1 3.29Å; H3224-T3352 PolarHBondContact NE2-OG1 3.16Å; H3224-T3352 VanDerWaalsContact NE2-OG1 3.13Å; H3224-F3355 HydrophobicContact CB-CB 4.48Å; H3224-F3355 HydrophobicContact CB-CD1 4.29Å; H3224-F3355 HydrophobicContact CB-CD2 3.61Å; H3224-F3355 VanDerWaalsContact CB-CD2 3.45Å; H3224-F3355 HydrophobicContact CB-CE1 4.24Å; H3224-F3355 HydrophobicContact CB-CE2 3.68Å; H3224-F3355 HydrophobicContact CB-CG 4.09Å; H3224-F3355 HydrophobicContact CB-CZ 4.21Å; H3224-F3355 AromaticContact CD2-CD2 3.8Å; H3224-F3355 AromaticContact CD2-CE2 3.68Å; H3224-F3355 AromaticContact CD2-CG 3.89Å; H3224-F3355 AromaticContact CD2-CZ 3.85Å; H3224-F3355 AromaticContact CG-CD2 3.99Å; H3224-F3355 AromaticContact NE2-CD2 3.35Å; H3224-F3355 VanDerWaalsContact NE2-CD2 3.35Å; H3224-F3355 WeakPolarHBondContact NE2-CD2 3.28Å; H3224-F3355 AromaticContact NE2-CE2 3.45Å; H3224-F3355 WeakPolarHBondContact NE2-CE2 3.47Å; H3224-F3355 AromaticContact NE2-CG 3.93Å |
| 3225 | Y | 60.1 | Low | 54.5 | Low | 58.6 Ų | 58.6 | 42 Ų | 42 | 23% | 0.23 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.3 | -36.3 | 175.1 | -76.7 | -64.9 | 0 | 0 | 0 | 112.4 | F3211 L3218 S3221 S3222 I3227 L3228 F3229 F3355 | F3211-Y3225 AromaticContact CD1-CD1 3.79Å; F3211-Y3225 HydrophobicContact CD1-CD1 3.79Å; F3211-Y3225 AromaticContact CD1-CE1 3.47Å; F3211-Y3225 HydrophobicContact CD1-CE1 3.47Å; F3211-Y3225 VanDerWaalsContact CD1-CE1 3.47Å; F3211-Y3225 HydrophobicContact CD1-CE2 4.29Å; F3211-Y3225 HydrophobicContact CD1-CG 4.35Å; F3211-Y3225 AromaticContact CD1-CZ 3.73Å; F3211-Y3225 AromaticContact CE1-CD1 3.79Å; F3211-Y3225 HydrophobicContact CE1-CD1 3.79Å; F3211-Y3225 AromaticContact CE1-CE1 3.54Å; F3211-Y3225 HydrophobicContact CE1-CE1 3.54Å; L3218-Y3225 HydrophobicContact CD1-CE2 4.39Å; L3218-Y3225 HydrophobicContact CD2-CD2 4.01Å; L3218-Y3225 HydrophobicContact CD2-CE2 3.85Å; L3218-Y3225 VanDerWaalsContact CD2-CE2 3.47Å; S3221-Y3225 VanDerWaalsContact O-CD2 3.24Å; S3221-Y3225 WeakPolarHBondContact O-CD2 3.44Å; S3221-Y3225 PolarHBondContact O-N 3.35Å; S3221-Y3225 VanDerWaalsContact O-N 3.14Å; S3221-Y3225 WeakPolarHBondContact OG-CE2 3.29Å; S3222-Y3225 PolarHBondContact O-N 3.06Å; Y3225-I3227 VanDerWaalsContact C-N 3.3Å; Y3225-I3227 PolarHBondContact O-N 3.14Å; Y3225-L3228 HydrophobicContact CD1-CD2 4.48Å; Y3225-L3228 PolarHBondContact O-N 3.22Å; Y3225-L3228 VanDerWaalsContact O-N 3.15Å; Y3225-F3229 HydrophobicContact CD1-CE1 4.44Å; Y3225-F3229 AromaticContact CD1-CE2 3.78Å; Y3225-F3229 HydrophobicContact CD1-CE2 4.1Å; Y3225-F3229 AromaticContact CD1-CZ 3.78Å; Y3225-F3229 HydrophobicContact CD1-CZ 4.13Å; Y3225-F3229 HydrophobicContact CG-CE2 4.28Å; Y3225-F3229 HydrophobicContact CG-CZ 4.33Å; Y3225-F3229 WeakPolarHBondContact O-CB 3.37Å; Y3225-F3229 WeakPolarHBondContact O-CD2 3.24Å; Y3225-F3229 VanDerWaalsContact O-CG 3.29Å; Y3225-F3229 WeakPolarHBondContact O-CG 3.42Å; Y3225-F3229 PolarHBondContact O-N 3.12Å; Y3225-F3355 AromaticContact CD1-CE1 3.75Å; Y3225-F3355 HydrophobicContact CD1-CE1 4.01Å; Y3225-F3355 HydrophobicContact CD1-CZ 4.08Å; Y3225-F3355 HydrophobicContact CD2-CZ 4.5Å; Y3225-F3355 AromaticContact CE1-CE1 3.64Å; Y3225-F3355 HydrophobicContact CE1-CE1 3.88Å; Y3225-F3355 AromaticContact CE1-CZ 3.75Å; Y3225-F3355 HydrophobicContact CE1-CZ 4.09Å; Y3225-F3355 HydrophobicContact CE2-CE1 4.37Å; Y3225-F3355 HydrophobicContact CE2-CZ 4.14Å; Y3225-F3355 HydrophobicContact CG-CE1 4.36Å; Y3225-F3355 AromaticContact CZ-CE1 3.98Å; Y3225-F3355 AromaticContact CZ-CZ 3.99Å |
| 3226 | M | 62.8 | Low | 56.3 | Low | 18.2 Ų | 18.2 | 39 Ų | 39 | 9% | 0.09 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.9 | -37.4 | 174.7 | -75.7 | -66.5 | -76.2 | 0 | 0 | 112.9 | S3222 K3223 H3224 L3228 A3230 I3261 N3264 L3309 L3316 | S3222-M3226 VanDerWaalsContact O-CG 3.3Å; S3222-M3226 WeakPolarHBondContact O-CG 3.3Å; S3222-M3226 PolarHBondContact O-N 3.1Å; K3223-M3226 WeakPolarHBondContact O-CB 3.36Å; K3223-M3226 PolarHBondContact O-N 3.02Å; H3224-M3226 VanDerWaalsContact C-N 3.32Å; H3224-M3226 PolarHBondContact O-N 3.27Å; M3226-L3228 VanDerWaalsContact C-N 3.35Å; M3226-A3230 VanDerWaalsContact O-CB 3.26Å; M3226-A3230 WeakPolarHBondContact O-CB 3.32Å; M3226-A3230 PolarHBondContact O-N 3.21Å; M3226-I3261 HydrophobicContact SD-CG1 4.41Å; M3226-N3264 HydrophobicContact CE-CB 3.61Å; M3226-N3264 VanDerWaalsContact CE-CB 3.47Å; M3226-N3264 VanDerWaalsContact CG-ND2 3.32Å; M3226-N3264 WeakPolarHBondContact CG-ND2 3.45Å; M3226-N3264 HydrophobicContact SD-CB 3.85Å; M3226-N3264 PolarHBondContact SD-ND2 3.29Å; M3226-N3264 VanDerWaalsContact SD-ND2 3.37Å; M3226-L3309 HydrophobicContact CE-CD2 3.37Å; M3226-L3309 VanDerWaalsContact CE-CD2 3.44Å; M3226-L3309 HydrophobicContact SD-CD2 4.36Å; M3226-L3316 HydrophobicContact CB-CD1 4.21Å |
| 3227 | I | 64.4 | Low | 58.2 | Low | 3.2 Ų | 3.2 | 35.8 Ų | 35.8 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.8 | -44.8 | 174.2 | -66.5 | 164.4 | 0 | 0 | 0 | 110.6 | K3223 H3224 Y3225 K3231 L3316 Q3317 I3320 T3352 N3356 | K3223-I3227 WeakPolarHBondContact O-CG1 3.3Å; K3223-I3227 PolarHBondContact O-N 3.25Å; H3224-I3227 WeakPolarHBondContact O-CB 3.4Å; H3224-I3227 PolarHBondContact O-N 3.01Å; Y3225-I3227 VanDerWaalsContact C-N 3.3Å; Y3225-I3227 PolarHBondContact O-N 3.14Å; I3227-K3231 PolarHBondContact O-N 2.96Å; I3227-L3316 HydrophobicContact CD1-CB 4.22Å; I3227-L3316 HydrophobicContact CG1-CB 4.33Å; I3227-Q3317 HydrophobicContact CD1-CG 3.77Å; I3227-Q3317 HydrophobicContact CG1-CG 4.24Å; I3227-Q3317 HydrophobicContact CG2-CG 4.22Å; I3227-I3320 HydrophobicContact CD1-CD1 4.13Å; I3227-T3352 HydrophobicContact CD1-CG2 3.86Å; I3227-N3356 HydrophobicContact CG2-CB 4Å |
| 3228 | L | 63.2 | Low | 59.8 | Low | 11.8 Ų | 11.8 | 36.8 Ų | 36.8 | 6% | 0.062 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.5 | -45.4 | 179.1 | -179.3 | 77.3 | 0 | 0 | 0 | 112.3 | L3198 H3224 Y3225 M3226 A3230 K3231 I3232 F3355 L3493 T3496 | L3198-L3228 HydrophobicContact CD1-CD1 4.18Å; L3198-L3228 HydrophobicContact CD2-CD1 4.45Å; H3224-L3228 PolarHBondContact O-N 3.17Å; H3224-L3228 VanDerWaalsContact O-N 3.12Å; Y3225-L3228 HydrophobicContact CD1-CD2 4.48Å; Y3225-L3228 PolarHBondContact O-N 3.22Å; Y3225-L3228 VanDerWaalsContact O-N 3.15Å; M3226-L3228 VanDerWaalsContact C-N 3.35Å; L3228-A3230 VanDerWaalsContact C-N 3.34Å; L3228-A3230 PolarHBondContact O-N 3.01Å; L3228-K3231 WeakPolarHBondContact O-CB 3.14Å; L3228-K3231 PolarHBondContact O-N 3.1Å; L3228-K3231 VanDerWaalsContact O-N 3.12Å; L3228-I3232 HydrophobicContact CD1-CD1 4.27Å; L3228-I3232 HydrophobicContact CD1-CG1 4.32Å; L3228-I3232 HydrophobicContact CD2-CD1 3.81Å; L3228-I3232 HydrophobicContact CG-CD1 4.05Å; L3228-I3232 WeakPolarHBondContact O-CG1 3.38Å; L3228-I3232 PolarHBondContact O-N 3.13Å; L3228-F3355 HydrophobicContact CB-CB 4.49Å; L3228-F3355 HydrophobicContact CB-CD1 4.08Å; L3228-F3355 HydrophobicContact CD1-CD1 4.16Å; L3228-F3355 WeakPolarHBondContact CD1-O 3.5Å; L3228-F3355 HydrophobicContact CD2-CD1 3.9Å; L3228-F3355 HydrophobicContact CD2-CE1 4.15Å; L3228-F3355 HydrophobicContact CG-CD1 4.45Å; L3228-L3493 HydrophobicContact CD1-CD2 4.29Å; L3228-L3493 HydrophobicContact CD2-CD2 3.52Å; L3228-L3493 HydrophobicContact CD2-CG 4.35Å; L3228-L3493 HydrophobicContact CG-CD2 4.25Å; L3228-T3496 HydrophobicContact CD1-CG2 4.33Å; L3228-T3496 HydrophobicContact CD2-CG2 4.2Å |
| 3229 | F | 67.2 | Low | 61.2 | Low | 15.6 Ų | 15.6 | 36.7 Ų | 36.7 | 7% | 0.068 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.9 | -34.7 | 179.9 | -63.1 | -42.4 | 0 | 0 | 0 | 112.7 | F3211 Y3225 K3231 I3232 L3233 L3257 I3260 I3261 L3493 | F3211-F3229 HydrophobicContact CD1-CZ 4.15Å; F3211-F3229 HydrophobicContact CE1-CE1 4.27Å; F3211-F3229 AromaticContact CE1-CZ 3.71Å; F3211-F3229 HydrophobicContact CE1-CZ 3.71Å; F3211-F3229 HydrophobicContact CZ-CE1 4.3Å; F3211-F3229 HydrophobicContact CZ-CZ 4.06Å; Y3225-F3229 HydrophobicContact CD1-CE1 4.44Å; Y3225-F3229 AromaticContact CD1-CE2 3.78Å; Y3225-F3229 HydrophobicContact CD1-CE2 4.1Å; Y3225-F3229 AromaticContact CD1-CZ 3.78Å; Y3225-F3229 HydrophobicContact CD1-CZ 4.13Å; Y3225-F3229 HydrophobicContact CG-CE2 4.28Å; Y3225-F3229 HydrophobicContact CG-CZ 4.33Å; Y3225-F3229 WeakPolarHBondContact O-CB 3.37Å; Y3225-F3229 WeakPolarHBondContact O-CD2 3.24Å; Y3225-F3229 VanDerWaalsContact O-CG 3.29Å; Y3225-F3229 WeakPolarHBondContact O-CG 3.42Å; Y3225-F3229 PolarHBondContact O-N 3.12Å; F3229-K3231 VanDerWaalsContact C-N 3.29Å; F3229-K3231 PolarHBondContact O-N 3.18Å; F3229-I3232 HydrophobicContact CD1-CD1 4.35Å; F3229-I3232 PolarHBondContact O-N 3.14Å; F3229-L3233 WeakPolarHBondContact O-CB 3.33Å; F3229-L3233 PolarHBondContact O-N 3.13Å; F3229-L3257 HydrophobicContact CB-CD1 4.28Å; F3229-L3257 HydrophobicContact CB-CD2 4.02Å; F3229-L3257 HydrophobicContact CB-CG 4.36Å; F3229-L3257 HydrophobicContact CD1-CD1 4.01Å; F3229-L3257 HydrophobicContact CD1-CD2 3.44Å; F3229-L3257 VanDerWaalsContact CD1-CD2 3.49Å; F3229-L3257 HydrophobicContact CD1-CG 4.36Å; F3229-L3257 HydrophobicContact CE1-CD2 4.14Å; F3229-L3257 HydrophobicContact CG-CD2 3.95Å; F3229-I3260 HydrophobicContact CD2-CB 4.31Å; F3229-I3260 HydrophobicContact CD2-CG2 3.84Å; F3229-I3260 HydrophobicContact CE1-CD1 4.25Å; F3229-I3260 HydrophobicContact CE2-CB 4.19Å; F3229-I3260 HydrophobicContact CE2-CD1 3.93Å; F3229-I3260 HydrophobicContact CE2-CG1 4.44Å; F3229-I3260 HydrophobicContact CE2-CG2 3.37Å; F3229-I3260 HydrophobicContact CZ-CB 4.47Å; F3229-I3260 HydrophobicContact CZ-CD1 3.76Å; F3229-I3260 HydrophobicContact CZ-CG2 4.13Å; F3229-I3261 HydrophobicContact CB-CD1 4.24Å; F3229-I3261 HydrophobicContact CB-CG1 4.32Å; F3229-L3493 HydrophobicContact CD1-CD2 4.33Å; F3229-L3493 HydrophobicContact CE1-CD2 3.97Å |
| 3230 | A | 69.3 | Low | 62.7 | Low | 3.4 Ų | 3.4 | 41.1 Ų | 41.1 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.5 | -44.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | M3226 L3228 I3232 L3233 E3234 L3309 | M3226-A3230 VanDerWaalsContact O-CB 3.26Å; M3226-A3230 WeakPolarHBondContact O-CB 3.32Å; M3226-A3230 PolarHBondContact O-N 3.21Å; L3228-A3230 VanDerWaalsContact C-N 3.34Å; L3228-A3230 PolarHBondContact O-N 3.01Å; A3230-I3232 PolarHBondContact O-N 3.44Å; A3230-L3233 PolarHBondContact O-N 3.31Å; A3230-E3234 VanDerWaalsContact O-CB 3.31Å; A3230-E3234 WeakPolarHBondContact O-CB 3.4Å; A3230-E3234 PolarHBondContact O-N 2.92Å; A3230-L3309 HydrophobicContact CB-CB 3.82Å; A3230-L3309 HydrophobicContact CB-CD1 4.5Å |
| 3231 | K | 65.7 | Low | 64.1 | Low | 41.8 Ų | 41.8 | 39.3 Ų | 39.3 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.8 | -39.3 | 178.9 | -88.9 | -174.9 | 169.2 | -155.2 | 0 | 113.6 | I3227 L3228 F3229 L3233 E3234 R3235 N3356 E3359 | I3227-K3231 PolarHBondContact O-N 2.96Å; L3228-K3231 WeakPolarHBondContact O-CB 3.14Å; L3228-K3231 PolarHBondContact O-N 3.1Å; L3228-K3231 VanDerWaalsContact O-N 3.12Å; F3229-K3231 VanDerWaalsContact C-N 3.29Å; F3229-K3231 PolarHBondContact O-N 3.18Å; K3231-L3233 VanDerWaalsContact C-N 3.3Å; K3231-L3233 PolarHBondContact O-N 3.41Å; K3231-E3234 WeakPolarHBondContact CD-OE2 3.27Å; K3231-E3234 VanDerWaalsContact CE-OE2 3.31Å; K3231-E3234 WeakPolarHBondContact CE-OE2 3.35Å; K3231-E3234 IonicContact NZ-OE2 3.15Å; K3231-E3234 PolarHBondContact NZ-OE2 3.11Å; K3231-E3234 PolarHBondContact O-N 3.17Å; K3231-R3235 VanDerWaalsContact O-CG 3.26Å; K3231-R3235 WeakPolarHBondContact O-CG 3.25Å; K3231-R3235 PolarHBondContact O-N 3.36Å; K3231-N3356 WeakPolarHBondContact CD-OD1 3.49Å; K3231-N3356 WeakPolarHBondContact CE-ND2 3.41Å; K3231-N3356 WeakPolarHBondContact CE-OD1 3.36Å; K3231-N3356 VanDerWaalsContact NZ-CG 3.3Å; K3231-N3356 PolarHBondContact NZ-ND2 2.65Å; K3231-N3356 PolarHBondContact NZ-OD1 2.95Å; K3231-E3359 WeakPolarHBondContact CE-OE1 3.39Å; K3231-E3359 VanDerWaalsContact CE-OE2 3.23Å; K3231-E3359 WeakPolarHBondContact CE-OE2 3.39Å; K3231-E3359 IonicContact NZ-OE1 3.35Å; K3231-E3359 PolarHBondContact NZ-OE1 3.1Å; K3231-E3359 IonicContact NZ-OE2 3.31Å |
| 3232 | I | 66.7 | Low | 65 | Low | 9.4 Ų | 9.4 | 38.4 Ų | 38.4 | 5% | 0.048 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.4 | -43.7 | 177.2 | -64.7 | 166.9 | 0 | 0 | 0 | 109.7 | L3198 L3228 F3229 A3230 E3234 R3235 F3236 L3253 L3257 W3485 M3489 L3493 | L3198-I3232 HydrophobicContact CD2-CD1 4.2Å; L3198-I3232 HydrophobicContact CD2-CG1 3.92Å; L3228-I3232 HydrophobicContact CD1-CD1 4.27Å; L3228-I3232 HydrophobicContact CD1-CG1 4.32Å; L3228-I3232 HydrophobicContact CD2-CD1 3.81Å; L3228-I3232 HydrophobicContact CG-CD1 4.05Å; L3228-I3232 WeakPolarHBondContact O-CG1 3.38Å; L3228-I3232 PolarHBondContact O-N 3.13Å; F3229-I3232 HydrophobicContact CD1-CD1 4.35Å; F3229-I3232 PolarHBondContact O-N 3.14Å; A3230-I3232 PolarHBondContact O-N 3.44Å; I3232-E3234 VanDerWaalsContact C-N 3.34Å; I3232-E3234 PolarHBondContact O-N 3.38Å; I3232-R3235 WeakPolarHBondContact O-CB 3.43Å; I3232-R3235 PolarHBondContact O-N 3.04Å; I3232-R3235 VanDerWaalsContact O-N 3.16Å; I3232-F3236 HydrophobicContact CG2-CD2 4.17Å; I3232-F3236 HydrophobicContact CG2-CE2 4.09Å; I3232-F3236 WeakPolarHBondContact O-CB 3.34Å; I3232-F3236 VanDerWaalsContact O-CD2 3.29Å; I3232-F3236 WeakPolarHBondContact O-CD2 3.41Å; I3232-F3236 PolarHBondContact O-N 3.28Å; I3232-F3236 VanDerWaalsContact O-N 3.09Å; I3232-L3253 HydrophobicContact CG2-CD2 4.31Å; I3232-L3257 HydrophobicContact CB-CD1 4.14Å; I3232-L3257 HydrophobicContact CB-CD2 4.22Å; I3232-L3257 HydrophobicContact CD1-CD1 4.3Å; I3232-L3257 HydrophobicContact CD1-CD2 4.31Å; I3232-L3257 HydrophobicContact CG2-CD1 3.53Å; I3232-L3257 VanDerWaalsContact CG2-CD1 3.44Å; I3232-L3257 HydrophobicContact CG2-CD2 4.01Å; I3232-L3257 HydrophobicContact CG2-CG 4.42Å; I3232-W3485 HydrophobicContact CG2-CH2 4.44Å; I3232-M3489 HydrophobicContact CD1-CE 4.36Å; I3232-M3489 HydrophobicContact CG1-CE 3.88Å; I3232-M3489 HydrophobicContact CG1-SD 4.25Å; I3232-M3489 HydrophobicContact CG2-SD 4.03Å; I3232-L3493 HydrophobicContact CD1-CD1 3.99Å; I3232-L3493 HydrophobicContact CD1-CD2 3.66Å; I3232-L3493 HydrophobicContact CD1-CG 3.86Å |
| 3233 | L | 72.1 | Confident | 65.7 | Low | 0.6 Ų | 0.6 | 40.2 Ų | 40.2 | 0% | 0.003 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63 | -43 | 175.4 | -170.9 | 71.2 | 0 | 0 | 0 | 112 | F3229 A3230 K3231 R3235 F3236 V3237 L3254 L3257 L3258 I3261 L3302 L3305 C3306 L3309 | F3229-L3233 WeakPolarHBondContact O-CB 3.33Å; F3229-L3233 PolarHBondContact O-N 3.13Å; A3230-L3233 PolarHBondContact O-N 3.31Å; K3231-L3233 VanDerWaalsContact C-N 3.3Å; K3231-L3233 PolarHBondContact O-N 3.41Å; L3233-R3235 VanDerWaalsContact C-N 3.28Å; L3233-R3235 PolarHBondContact O-N 3.15Å; L3233-F3236 WeakPolarHBondContact O-CA 3.4Å; L3233-F3236 WeakPolarHBondContact O-CB 3.27Å; L3233-F3236 PolarHBondContact O-N 3.07Å; L3233-F3236 VanDerWaalsContact O-N 3.12Å; L3233-V3237 WeakPolarHBondContact O-CG2 3.33Å; L3233-V3237 PolarHBondContact O-N 3.35Å; L3233-V3237 VanDerWaalsContact O-N 3.09Å; L3233-L3254 HydrophobicContact CD1-CD1 4.13Å; L3233-L3257 HydrophobicContact CB-CD2 3.86Å; L3233-L3257 HydrophobicContact CD1-CD2 3.59Å; L3233-L3257 HydrophobicContact CG-CD2 4.26Å; L3233-L3258 HydrophobicContact CD1-CD2 4.31Å; L3233-I3261 HydrophobicContact CD2-CD1 4.45Å; L3233-L3302 HydrophobicContact CD1-CD2 4.24Å; L3233-L3305 HydrophobicContact CD2-CB 4.33Å; L3233-L3305 HydrophobicContact CD2-CD2 3.52Å; L3233-L3305 HydrophobicContact CD2-CG 4.48Å; L3233-C3306 HydrophobicContact CD2-CB 3.97Å; L3233-C3306 HydrophobicContact CG-CB 4.27Å; L3233-L3309 HydrophobicContact CD2-CD1 3.81Å |
| 3234 | E | 71 | Confident | 66.2 | Low | 36 Ų | 36 | 40.2 Ų | 40.2 | 17% | 0.168 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.3 | -40.2 | 174.3 | 176.6 | 171 | -153.2 | 0 | 0 | 112 | A3230 K3231 I3232 V3237 N3238 C3306 K3310 | A3230-E3234 VanDerWaalsContact O-CB 3.31Å; A3230-E3234 WeakPolarHBondContact O-CB 3.4Å; A3230-E3234 PolarHBondContact O-N 2.92Å; K3231-E3234 WeakPolarHBondContact CD-OE2 3.27Å; K3231-E3234 VanDerWaalsContact CE-OE2 3.31Å; K3231-E3234 WeakPolarHBondContact CE-OE2 3.35Å; K3231-E3234 IonicContact NZ-OE2 3.15Å; K3231-E3234 PolarHBondContact NZ-OE2 3.11Å; K3231-E3234 PolarHBondContact O-N 3.17Å; I3232-E3234 VanDerWaalsContact C-N 3.34Å; I3232-E3234 PolarHBondContact O-N 3.38Å; E3234-V3237 WeakPolarHBondContact O-CB 3.4Å; E3234-V3237 PolarHBondContact O-N 3.09Å; E3234-N3238 VanDerWaalsContact CG-ND2 3.29Å; E3234-N3238 WeakPolarHBondContact CG-ND2 3.32Å; E3234-N3238 VanDerWaalsContact O-CB 3.28Å; E3234-N3238 WeakPolarHBondContact O-CB 3.33Å; E3234-N3238 VanDerWaalsContact O-CG 3.25Å; E3234-N3238 PolarHBondContact O-N 3.28Å; E3234-N3238 PolarHBondContact O-ND2 3.18Å; E3234-N3238 PolarHBondContact OE1-ND2 3.47Å; E3234-C3306 VanDerWaalsContact CA-SG 3.57Å; E3234-C3306 WeakPolarHBondContact CA-SG 3.34Å; E3234-C3306 VanDerWaalsContact CB-SG 3.55Å; E3234-C3306 PolarHBondContact N-SG 3.2Å; E3234-K3310 VanDerWaalsContact CD-NZ 3.34Å; E3234-K3310 HydrophobicContact CG-CD 4.37Å; E3234-K3310 VanDerWaalsContact CG-CE 3.42Å; E3234-K3310 WeakPolarHBondContact OE1-CD 3.48Å; E3234-K3310 VanDerWaalsContact OE1-CE 3.29Å; E3234-K3310 WeakPolarHBondContact OE1-CE 3.35Å; E3234-K3310 IonicContact OE1-NZ 2.99Å; E3234-K3310 PolarHBondContact OE1-NZ 3.09Å; E3234-K3310 WeakPolarHBondContact OE2-CE 3.46Å; E3234-K3310 IonicContact OE2-NZ 2.76Å |
| 3235 | R | 66.7 | Low | 66.5 | Low | 43.6 Ų | 43.6 | 42.1 Ų | 42.1 | 17% | 0.165 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.5 | -35.8 | 176.2 | -93.6 | 176.7 | 178.7 | 172.8 | -0.9 | 112.5 | L3198 H3199 E3202 K3231 I3232 L3233 V3237 N3238 S3239 S3455 L3458 W3485 M3489 | L3198-R3235 PolarHBondContact O-NH1 3.38Å; L3198-R3235 VanDerWaalsContact O-NH1 3.13Å; H3199-R3235 PolarHBondContact ND1-NH2 3.25Å; E3202-R3235 IonicContact OE1-CZ 2.72Å; E3202-R3235 IonicContact OE1-NE 3.82Å; E3202-R3235 PolarHBondContact OE1-NE 2.79Å; E3202-R3235 IonicContact OE1-NH2 2.66Å; E3202-R3235 PolarHBondContact OE1-NH2 3.27Å; E3202-R3235 IonicContact OE2-CZ 3.39Å; E3202-R3235 IonicContact OE2-NH2 2.65Å; E3202-R3235 PolarHBondContact OE2-NH2 2.87Å; K3231-R3235 VanDerWaalsContact O-CG 3.26Å; K3231-R3235 WeakPolarHBondContact O-CG 3.25Å; K3231-R3235 PolarHBondContact O-N 3.36Å; I3232-R3235 WeakPolarHBondContact O-CB 3.43Å; I3232-R3235 PolarHBondContact O-N 3.04Å; I3232-R3235 VanDerWaalsContact O-N 3.16Å; L3233-R3235 VanDerWaalsContact C-N 3.28Å; L3233-R3235 PolarHBondContact O-N 3.15Å; R3235-V3237 VanDerWaalsContact C-N 3.28Å; R3235-V3237 PolarHBondContact O-N 2.91Å; R3235-N3238 PolarHBondContact O-N 3.02Å; R3235-S3239 WeakPolarHBondContact O-CB 3.32Å; R3235-S3239 PolarHBondContact O-N 3.19Å; R3235-S3239 PolarHBondContact O-OG 3.27Å; R3235-S3455 PolarHBondContact NH1-OG 3.4Å; R3235-S3455 PolarHBondContact NH2-O 2.89Å; R3235-S3455 PolarHBondContact NH2-OG 3.16Å; R3235-L3458 PolarHBondContact NE-O 3.49Å; R3235-L3458 VanDerWaalsContact NH1-CB 3.34Å; R3235-L3458 PolarHBondContact NH1-O 3.1Å; R3235-L3458 PolarHBondContact NH2-O 3.26Å; R3235-W3485 HydrophobicContact CB-CH2 4.24Å; R3235-W3485 HydrophobicContact CB-CZ2 3.79Å; R3235-W3485 HydrophobicContact CG-CZ2 4.44Å; R3235-M3489 HydrophobicContact CB-CE 4.04Å; R3235-M3489 HydrophobicContact CG-CE 4.35Å; R3235-M3489 VanDerWaalsContact NH1-CE 3.26Å; R3235-M3489 PolarHBondContact NH1-SD 3.37Å; R3235-M3489 VanDerWaalsContact NH1-SD 3.4Å |
| 3236 | F | 68 | Low | 66.8 | Low | 4.8 Ų | 4.8 | 39.4 Ų | 39.4 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.3 | -39.1 | 172.2 | -104.2 | -84.5 | 0 | 0 | 0 | 112.2 | I3232 L3233 S3239 I3241 L3242 L3246 D3250 L3253 L3254 L3257 W3485 | I3232-F3236 HydrophobicContact CG2-CD2 4.17Å; I3232-F3236 HydrophobicContact CG2-CE2 4.09Å; I3232-F3236 WeakPolarHBondContact O-CB 3.34Å; I3232-F3236 VanDerWaalsContact O-CD2 3.29Å; I3232-F3236 WeakPolarHBondContact O-CD2 3.41Å; I3232-F3236 PolarHBondContact O-N 3.28Å; I3232-F3236 VanDerWaalsContact O-N 3.09Å; L3233-F3236 WeakPolarHBondContact O-CA 3.4Å; L3233-F3236 WeakPolarHBondContact O-CB 3.27Å; L3233-F3236 PolarHBondContact O-N 3.07Å; L3233-F3236 VanDerWaalsContact O-N 3.12Å; F3236-S3239 PolarHBondContact O-OG 3.12Å; F3236-S3239 VanDerWaalsContact O-OG 3.12Å; F3236-I3241 HydrophobicContact CD1-CB 4.43Å; F3236-I3241 HydrophobicContact CD1-CD1 4.43Å; F3236-I3241 HydrophobicContact CD1-CG2 4.02Å; F3236-I3241 HydrophobicContact CE1-CG2 4.21Å; F3236-I3241 HydrophobicContact CE2-CG2 4.49Å; F3236-I3241 HydrophobicContact CZ-CG2 4.29Å; F3236-L3242 HydrophobicContact CD1-CD1 4.36Å; F3236-L3242 HydrophobicContact CD1-CD2 4.14Å; F3236-L3242 HydrophobicContact CD1-CG 3.88Å; F3236-L3242 HydrophobicContact CE1-CD2 3.46Å; F3236-L3242 VanDerWaalsContact CE1-CD2 3.46Å; F3236-L3242 HydrophobicContact CE1-CG 3.93Å; F3236-L3242 WeakPolarHBondContact O-CG 3.41Å; F3236-L3246 HydrophobicContact CE1-CD2 4.14Å; F3236-L3246 HydrophobicContact CZ-CD2 3.82Å; F3236-D3250 HydrophobicContact CE1-CB 4.43Å; F3236-D3250 HydrophobicContact CE2-CB 4.3Å; F3236-D3250 HydrophobicContact CZ-CB 4.2Å; F3236-L3253 HydrophobicContact CD2-CD2 4.29Å; F3236-L3253 HydrophobicContact CE2-CD2 3.75Å; F3236-L3253 VanDerWaalsContact CE2-CD2 3.49Å; F3236-L3253 HydrophobicContact CZ-CB 3.98Å; F3236-L3253 HydrophobicContact CZ-CD1 4.33Å; F3236-L3253 HydrophobicContact CZ-CD2 3.62Å; F3236-L3253 VanDerWaalsContact CZ-CD2 3.4Å; F3236-L3254 HydrophobicContact CD1-CD1 4.2Å; F3236-L3254 HydrophobicContact CE1-CB 4.39Å; F3236-L3254 HydrophobicContact CE1-CD1 3.97Å; F3236-L3254 HydrophobicContact CE1-CD2 3.84Å; F3236-L3254 HydrophobicContact CE1-CG 4.29Å; F3236-L3254 HydrophobicContact CG-CD1 4.44Å; F3236-L3254 HydrophobicContact CZ-CB 4.14Å; F3236-L3254 HydrophobicContact CZ-CD1 4.49Å; F3236-L3254 HydrophobicContact CZ-CD2 4.25Å; F3236-L3257 HydrophobicContact CD2-CD1 4.17Å; F3236-L3257 HydrophobicContact CE2-CD1 3.92Å; F3236-W3485 HydrophobicContact CB-CH2 4.33Å; F3236-W3485 HydrophobicContact CD1-CH2 4.47Å; F3236-W3485 HydrophobicContact CD1-CZ3 4.39Å; F3236-W3485 AromaticContact CD2-CH2 3.76Å; F3236-W3485 HydrophobicContact CD2-CH2 4.03Å; F3236-W3485 AromaticContact CD2-CZ3 3.83Å; F3236-W3485 HydrophobicContact CD2-CZ3 4.02Å; F3236-W3485 HydrophobicContact CE1-CH2 4.44Å; F3236-W3485 AromaticContact CE1-CZ3 3.94Å; F3236-W3485 HydrophobicContact CE1-CZ3 4.03Å; F3236-W3485 AromaticContact CE2-CH2 3.74Å; F3236-W3485 HydrophobicContact CE2-CH2 3.85Å; F3236-W3485 AromaticContact CE2-CZ3 3.78Å; F3236-W3485 HydrophobicContact CE2-CZ3 3.95Å; F3236-W3485 HydrophobicContact CG-CH2 4.13Å; F3236-W3485 HydrophobicContact CG-CZ3 4.44Å; F3236-W3485 HydrophobicContact CZ-CH2 4.15Å; F3236-W3485 AromaticContact CZ-CZ3 3.65Å; F3236-W3485 HydrophobicContact CZ-CZ3 3.82Å |
| 3237 | V | 71.2 | Confident | 67 | Low | 31.6 Ų | 31.6 | 39.7 Ų | 39.7 | 19% | 0.192 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.2 | -53.8 | 176 | 172 | 0 | 0 | 0 | 0 | 111 | L3233 E3234 R3235 S3239 R3240 L3242 D3303 C3306 | L3233-V3237 WeakPolarHBondContact O-CG2 3.33Å; L3233-V3237 PolarHBondContact O-N 3.35Å; L3233-V3237 VanDerWaalsContact O-N 3.09Å; E3234-V3237 WeakPolarHBondContact O-CB 3.4Å; E3234-V3237 PolarHBondContact O-N 3.09Å; R3235-V3237 VanDerWaalsContact C-N 3.28Å; R3235-V3237 PolarHBondContact O-N 2.91Å; V3237-S3239 PolarHBondContact O-N 2.97Å; V3237-R3240 PolarHBondContact O-N 3.24Å; V3237-L3242 HydrophobicContact CB-CD1 4.48Å; V3237-L3242 HydrophobicContact CG2-CD1 4Å; V3237-D3303 WeakPolarHBondContact CG1-OD1 3.32Å; V3237-D3303 VanDerWaalsContact CG2-OD1 3.3Å; V3237-D3303 WeakPolarHBondContact CG2-OD1 3.3Å; V3237-C3306 HydrophobicContact CG2-CB 4.16Å |
| 3238 | N | 64.5 | Low | 66.7 | Low | 104 Ų | 104 | 40.9 Ų | 40.9 | 56% | 0.556 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -69.8 | -33.3 | -172.8 | -71.6 | -15.8 | 0 | 0 | 0 | 113.9 | E3234 R3235 R3240 | E3234-N3238 VanDerWaalsContact CG-ND2 3.29Å; E3234-N3238 WeakPolarHBondContact CG-ND2 3.32Å; E3234-N3238 VanDerWaalsContact O-CB 3.28Å; E3234-N3238 WeakPolarHBondContact O-CB 3.33Å; E3234-N3238 VanDerWaalsContact O-CG 3.25Å; E3234-N3238 PolarHBondContact O-N 3.28Å; E3234-N3238 PolarHBondContact O-ND2 3.18Å; E3234-N3238 PolarHBondContact OE1-ND2 3.47Å; R3235-N3238 PolarHBondContact O-N 3.02Å; N3238-R3240 PolarHBondContact O-N 3.14Å; N3238-R3240 VanDerWaalsContact O-N 3.11Å |
| 3239 | S | 61.3 | Low | 66.5 | Low | 46.2 Ų | 46.2 | 43.1 Ų | 43.1 | 32% | 0.323 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -5 | 179.1 | 59 | 0 | 0 | 0 | 0 | 114.2 | R3235 F3236 V3237 I3241 | R3235-S3239 WeakPolarHBondContact O-CB 3.32Å; R3235-S3239 PolarHBondContact O-N 3.19Å; R3235-S3239 PolarHBondContact O-OG 3.27Å; F3236-S3239 PolarHBondContact O-OG 3.12Å; F3236-S3239 VanDerWaalsContact O-OG 3.12Å; V3237-S3239 PolarHBondContact O-N 2.97Å; S3239-I3241 PolarHBondContact O-N 3.08Å; S3239-I3241 VanDerWaalsContact O-N 3.12Å; S3239-I3241 WeakPolarHBondContact OG-CB 3.27Å; S3239-I3241 WeakPolarHBondContact OG-CD1 3.38Å; S3239-I3241 VanDerWaalsContact OG-CG1 3.3Å; S3239-I3241 WeakPolarHBondContact OG-CG1 3.41Å; S3239-I3241 PolarHBondContact OG-N 2.92Å |
| 3240 | R | 63.8 | Low | 66.3 | Low | 184.6 Ų | 184.6 | 42.8 Ų | 42.8 | 70% | 0.697 | 22% | 0.218 | S | C | * | . | S | Bend | trans | 58.9 | 14.2 | -172.1 | -53.3 | 179.1 | 179.4 | 175.7 | 1.4 | 113.6 | V3237 N3238 L3242 N3243 | V3237-R3240 PolarHBondContact O-N 3.24Å; N3238-R3240 PolarHBondContact O-N 3.14Å; N3238-R3240 VanDerWaalsContact O-N 3.11Å; R3240-L3242 PolarHBondContact O-N 3.1Å; R3240-N3243 HydrophobicContact CB-CB 4.43Å; R3240-N3243 WeakPolarHBondContact O-CA 3.23Å; R3240-N3243 VanDerWaalsContact O-CB 3.27Å; R3240-N3243 WeakPolarHBondContact O-CB 3.36Å; R3240-N3243 PolarHBondContact O-N 3.13Å |
| 3241 | I | 63.9 | Low | 66 | Low | 20.6 Ų | 20.6 | 42.7 Ų | 42.7 | 11% | 0.106 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -58 | -37.1 | 176 | -72.7 | 170.4 | 0 | 0 | 0 | 110.8 | F3236 S3239 N3243 Q3244 L3246 W3485 | F3236-I3241 HydrophobicContact CD1-CB 4.43Å; F3236-I3241 HydrophobicContact CD1-CD1 4.43Å; F3236-I3241 HydrophobicContact CD1-CG2 4.02Å; F3236-I3241 HydrophobicContact CE1-CG2 4.21Å; F3236-I3241 HydrophobicContact CE2-CG2 4.49Å; F3236-I3241 HydrophobicContact CZ-CG2 4.29Å; S3239-I3241 PolarHBondContact O-N 3.08Å; S3239-I3241 VanDerWaalsContact O-N 3.12Å; S3239-I3241 WeakPolarHBondContact OG-CB 3.27Å; S3239-I3241 WeakPolarHBondContact OG-CD1 3.38Å; S3239-I3241 VanDerWaalsContact OG-CG1 3.3Å; S3239-I3241 WeakPolarHBondContact OG-CG1 3.41Å; S3239-I3241 PolarHBondContact OG-N 2.92Å; I3241-N3243 PolarHBondContact O-N 3.07Å; I3241-N3243 VanDerWaalsContact O-N 3.14Å; I3241-Q3244 WeakPolarHBondContact O-CA 3.45Å; I3241-Q3244 WeakPolarHBondContact O-CB 3.46Å; I3241-Q3244 PolarHBondContact O-N 3.08Å; I3241-L3246 HydrophobicContact CG2-CD2 3.69Å; I3241-W3485 HydrophobicContact CD1-CB 4.39Å; I3241-W3485 HydrophobicContact CD1-CD2 3.54Å; I3241-W3485 VanDerWaalsContact CD1-CD2 3.48Å; I3241-W3485 HydrophobicContact CD1-CE3 3.34Å; I3241-W3485 VanDerWaalsContact CD1-CE3 3.41Å; I3241-W3485 HydrophobicContact CD1-CG 4.1Å; I3241-W3485 HydrophobicContact CD1-CH2 4.2Å; I3241-W3485 HydrophobicContact CD1-CZ2 4.34Å; I3241-W3485 HydrophobicContact CD1-CZ3 3.7Å |
| 3242 | L | 67.4 | Low | 65.7 | Low | 5.2 Ų | 5.2 | 42.9 Ų | 42.9 | 3% | 0.027 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -59.2 | -18.2 | 173 | -63.6 | 176.4 | 0 | 0 | 0 | 113.6 | F3236 V3237 R3240 Q3244 L3246 L3254 M3294 K3299 L3302 | F3236-L3242 HydrophobicContact CD1-CD1 4.36Å; F3236-L3242 HydrophobicContact CD1-CD2 4.14Å; F3236-L3242 HydrophobicContact CD1-CG 3.88Å; F3236-L3242 HydrophobicContact CE1-CD2 3.46Å; F3236-L3242 VanDerWaalsContact CE1-CD2 3.46Å; F3236-L3242 HydrophobicContact CE1-CG 3.93Å; F3236-L3242 WeakPolarHBondContact O-CG 3.41Å; V3237-L3242 HydrophobicContact CB-CD1 4.48Å; V3237-L3242 HydrophobicContact CG2-CD1 4Å; R3240-L3242 PolarHBondContact O-N 3.1Å; L3242-Q3244 VanDerWaalsContact C-N 3.31Å; L3242-L3246 HydrophobicContact CD2-CD1 4.44Å; L3242-L3246 HydrophobicContact CD2-CD2 4.47Å; L3242-L3254 HydrophobicContact CD2-CD2 4.3Å; L3242-M3294 HydrophobicContact CD2-CB 4.42Å; L3242-M3294 HydrophobicContact CD2-CE 4.23Å; L3242-M3294 HydrophobicContact CD2-CG 4.13Å; L3242-K3299 HydrophobicContact CB-CG 4.39Å; L3242-K3299 WeakPolarHBondContact O-CE 3.31Å; L3242-K3299 PolarHBondContact O-NZ 3.16Å; L3242-K3299 VanDerWaalsContact O-NZ 3.14Å; L3242-L3302 HydrophobicContact CD1-CB 4.22Å; L3242-L3302 HydrophobicContact CD1-CD1 3.96Å; L3242-L3302 HydrophobicContact CD2-CD1 3.8Å |
| 3243 | N | 68.8 | Low | 65.5 | Low | 95.6 Ų | 95.6 | 42.9 Ų | 42.9 | 51% | 0.511 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -88.2 | -7.3 | 175 | -63 | -41.3 | 0 | 0 | 0 | 114.2 | R3240 I3241 K3299 | R3240-N3243 HydrophobicContact CB-CB 4.43Å; R3240-N3243 WeakPolarHBondContact O-CA 3.23Å; R3240-N3243 VanDerWaalsContact O-CB 3.27Å; R3240-N3243 WeakPolarHBondContact O-CB 3.36Å; R3240-N3243 PolarHBondContact O-N 3.13Å; I3241-N3243 PolarHBondContact O-N 3.07Å; I3241-N3243 VanDerWaalsContact O-N 3.14Å; N3243-K3299 WeakPolarHBondContact OD1-CE 3.35Å; N3243-K3299 PolarHBondContact OD1-NZ 2.98Å |
| 3244 | Q | 69.8 | Low | 65.4 | Low | 98.6 Ų | 98.6 | 42.9 Ų | 42.9 | 46% | 0.461 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -100.5 | 175.3 | 174.6 | -57 | -177.6 | 6.4 | 0 | 0 | 110.2 | I3241 L3242 L3246 F3293 | I3241-Q3244 WeakPolarHBondContact O-CA 3.45Å; I3241-Q3244 WeakPolarHBondContact O-CB 3.46Å; I3241-Q3244 PolarHBondContact O-N 3.08Å; L3242-Q3244 VanDerWaalsContact C-N 3.31Å; Q3244-L3246 PolarHBondContact O-N 3.23Å; Q3244-F3293 VanDerWaalsContact C-CD1 3.49Å; Q3244-F3293 VanDerWaalsContact C-CE1 3.43Å; Q3244-F3293 WeakPolarHBondContact O-CD1 3.33Å |
| 3245 | S | 68.6 | Low | 65.2 | Low | 51 Ų | 51 | 41.3 Ų | 41.3 | 36% | 0.357 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 118.4 | 169 | 54.6 | 0 | 0 | 0 | 0 | 109 | S3247 I3292 F3293 | S3245-S3247 PolarHBondContact O-N 3.12Å; S3245-I3292 WeakPolarHBondContact CA-O 3.45Å; S3245-F3293 VanDerWaalsContact N-CE1 3.35Å |
| 3246 | L | 67.2 | Low | 64.9 | Low | 1.4 Ų | 1.4 | 40.2 Ų | 40.2 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 131 | 177.4 | -61.7 | 178.7 | 0 | 0 | 0 | 109.8 | F3236 I3241 L3242 Q3244 D3250 I3251 L3254 N3291 I3292 M3294 | F3236-L3246 HydrophobicContact CE1-CD2 4.14Å; F3236-L3246 HydrophobicContact CZ-CD2 3.82Å; I3241-L3246 HydrophobicContact CG2-CD2 3.69Å; L3242-L3246 HydrophobicContact CD2-CD1 4.44Å; L3242-L3246 HydrophobicContact CD2-CD2 4.47Å; Q3244-L3246 PolarHBondContact O-N 3.23Å; L3246-D3250 HydrophobicContact CB-CB 4.17Å; L3246-D3250 HydrophobicContact CD2-CB 4.1Å; L3246-I3251 HydrophobicContact CB-CD1 4.24Å; L3246-I3251 HydrophobicContact CB-CG1 3.68Å; L3246-I3251 HydrophobicContact CD1-CG1 4.3Å; L3246-L3254 HydrophobicContact CD1-CD2 4.12Å; L3246-N3291 WeakPolarHBondContact O-CA 3.26Å; L3246-I3292 HydrophobicContact CB-CG2 4.45Å; L3246-I3292 PolarHBondContact N-O 3.02Å; L3246-I3292 PolarHBondContact O-N 3.07Å; L3246-M3294 HydrophobicContact CD1-CG 3.53Å; L3246-M3294 VanDerWaalsContact CD1-CG 3.49Å; L3246-M3294 HydrophobicContact CD1-SD 4.06Å; L3246-M3294 HydrophobicContact CG-CG 4.32Å |
| 3247 | S | 65.4 | Low | 64.8 | Low | 24 Ų | 24 | 40.2 Ų | 40.2 | 17% | 0.168 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 164.3 | 170.4 | 75.2 | 0 | 0 | 0 | 0 | 110.8 | S3245 I3249 D3250 I3251 | S3245-S3247 PolarHBondContact O-N 3.12Å; S3247-I3249 PolarHBondContact O-N 3.18Å; S3247-I3249 VanDerWaalsContact O-N 3.12Å; S3247-I3249 PolarHBondContact OG-N 3.19Å; S3247-D3250 VanDerWaalsContact CB-OD2 3.28Å; S3247-D3250 WeakPolarHBondContact CB-OD2 3.23Å; S3247-D3250 PolarHBondContact N-OD2 3.19Å; S3247-D3250 VanDerWaalsContact N-OD2 3.09Å; S3247-D3250 PolarHBondContact O-N 3.14Å; S3247-D3250 VanDerWaalsContact O-N 3.13Å; S3247-D3250 VanDerWaalsContact OG-CG 3.25Å; S3247-D3250 PolarHBondContact OG-N 3.17Å; S3247-D3250 VanDerWaalsContact OG-N 3.14Å; S3247-D3250 PolarHBondContact OG-OD1 3.33Å; S3247-D3250 PolarHBondContact OG-OD2 3.26Å; S3247-D3250 VanDerWaalsContact OG-OD2 3.09Å; S3247-I3251 WeakPolarHBondContact O-CB 3.05Å; S3247-I3251 VanDerWaalsContact O-CG1 3.27Å; S3247-I3251 WeakPolarHBondContact O-CG1 3.32Å; S3247-I3251 PolarHBondContact O-N 3.16Å |
| 3248 | S | 58.9 | Low | 64.8 | Low | 29 Ų | 29 | 38.6 Ų | 38.6 | 20% | 0.203 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.8 | -32.3 | 174.3 | 56.1 | 0 | 0 | 0 | 0 | 112.9 | I3251 F3252 F3286 N3289 | S3248-I3251 PolarHBondContact O-N 3.19Å; S3248-F3252 WeakPolarHBondContact O-CB 3.36Å; S3248-F3252 PolarHBondContact O-N 3.05Å; S3248-F3252 VanDerWaalsContact O-N 3.11Å; S3248-F3286 WeakPolarHBondContact O-CD2 3.34Å; S3248-F3286 VanDerWaalsContact O-CE2 3.27Å; S3248-F3286 WeakPolarHBondContact O-CE2 3.34Å; S3248-N3289 WeakPolarHBondContact CB-OD1 3.26Å; S3248-N3289 PolarHBondContact OG-OD1 3.42Å |
| 3249 | I | 59 | Low | 64.9 | Low | 57.2 Ų | 57.2 | 36.4 Ų | 36.4 | 29% | 0.293 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -71 | -43.2 | 176.7 | -57.7 | 173.3 | 0 | 0 | 0 | 110.7 | T3205 S3247 I3251 F3252 L3253 T3486 L3490 | T3205-I3249 HydrophobicContact CG2-CD1 3.51Å; S3247-I3249 PolarHBondContact O-N 3.18Å; S3247-I3249 VanDerWaalsContact O-N 3.12Å; S3247-I3249 PolarHBondContact OG-N 3.19Å; I3249-I3251 VanDerWaalsContact C-N 3.32Å; I3249-I3251 PolarHBondContact O-N 3.02Å; I3249-F3252 PolarHBondContact O-N 3.21Å; I3249-L3253 HydrophobicContact CG2-CD1 4.11Å; I3249-L3253 WeakPolarHBondContact O-CB 3.42Å; I3249-L3253 PolarHBondContact O-N 3.14Å; I3249-T3486 HydrophobicContact CB-CG2 4.39Å; I3249-T3486 HydrophobicContact CG2-CG2 3.75Å; I3249-L3490 HydrophobicContact CG2-CD1 4.01Å |
| 3250 | D | 62.8 | Low | 64.9 | Low | 10.8 Ų | 10.8 | 37.1 Ų | 37.1 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.4 | -41.7 | 177.8 | -53.4 | -41 | 0 | 0 | 0 | 111.1 | F3236 L3246 S3247 F3252 L3253 L3254 T3486 | F3236-D3250 HydrophobicContact CE1-CB 4.43Å; F3236-D3250 HydrophobicContact CE2-CB 4.3Å; F3236-D3250 HydrophobicContact CZ-CB 4.2Å; L3246-D3250 HydrophobicContact CB-CB 4.17Å; L3246-D3250 HydrophobicContact CD2-CB 4.1Å; S3247-D3250 VanDerWaalsContact CB-OD2 3.28Å; S3247-D3250 WeakPolarHBondContact CB-OD2 3.23Å; S3247-D3250 PolarHBondContact N-OD2 3.19Å; S3247-D3250 VanDerWaalsContact N-OD2 3.09Å; S3247-D3250 PolarHBondContact O-N 3.14Å; S3247-D3250 VanDerWaalsContact O-N 3.13Å; S3247-D3250 VanDerWaalsContact OG-CG 3.25Å; S3247-D3250 PolarHBondContact OG-N 3.17Å; S3247-D3250 VanDerWaalsContact OG-N 3.14Å; S3247-D3250 PolarHBondContact OG-OD1 3.33Å; S3247-D3250 PolarHBondContact OG-OD2 3.26Å; S3247-D3250 VanDerWaalsContact OG-OD2 3.09Å; D3250-F3252 VanDerWaalsContact C-N 3.32Å; D3250-F3252 PolarHBondContact O-N 3.33Å; D3250-L3253 PolarHBondContact O-N 3.05Å; D3250-L3254 VanDerWaalsContact O-CB 3.26Å; D3250-L3254 WeakPolarHBondContact O-CB 3.35Å; D3250-L3254 PolarHBondContact O-N 3.21Å; D3250-T3486 WeakPolarHBondContact OD1-CB 3.33Å; D3250-T3486 WeakPolarHBondContact OD1-CG2 3.4Å; D3250-T3486 PolarHBondContact OD1-OG1 3.31Å |
| 3251 | I | 62.6 | Low | 65 | Low | 0.4 Ų | 0.4 | 28.3 Ų | 28.3 | 0% | 0.002 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62 | -45.8 | 176 | -66.4 | 170.6 | 0 | 0 | 0 | 110.1 | L3246 S3247 S3248 I3249 L3253 L3254 V3255 L3282 I3285 F3286 I3292 | L3246-I3251 HydrophobicContact CB-CD1 4.24Å; L3246-I3251 HydrophobicContact CB-CG1 3.68Å; L3246-I3251 HydrophobicContact CD1-CG1 4.3Å; S3247-I3251 WeakPolarHBondContact O-CB 3.05Å; S3247-I3251 VanDerWaalsContact O-CG1 3.27Å; S3247-I3251 WeakPolarHBondContact O-CG1 3.32Å; S3247-I3251 PolarHBondContact O-N 3.16Å; S3248-I3251 PolarHBondContact O-N 3.19Å; I3249-I3251 VanDerWaalsContact C-N 3.32Å; I3249-I3251 PolarHBondContact O-N 3.02Å; I3251-L3253 VanDerWaalsContact C-N 3.35Å; I3251-L3253 PolarHBondContact O-N 3.12Å; I3251-L3254 PolarHBondContact O-N 2.92Å; I3251-V3255 HydrophobicContact CG2-CG2 4.34Å; I3251-V3255 VanDerWaalsContact O-CB 3.3Å; I3251-V3255 WeakPolarHBondContact O-CB 3.24Å; I3251-V3255 VanDerWaalsContact O-CG2 3.27Å; I3251-V3255 WeakPolarHBondContact O-CG2 3.32Å; I3251-V3255 PolarHBondContact O-N 3.17Å; I3251-L3282 HydrophobicContact CG1-CD2 4.42Å; I3251-L3282 HydrophobicContact CG2-CB 3.9Å; I3251-L3282 HydrophobicContact CG2-CD2 4.11Å; I3251-L3282 VanDerWaalsContact CG2-O 3.32Å; I3251-L3282 WeakPolarHBondContact CG2-O 3.34Å; I3251-I3285 HydrophobicContact CD1-CB 4.34Å; I3251-I3285 HydrophobicContact CD1-CG2 3.63Å; I3251-F3286 HydrophobicContact CB-CB 4.28Å; I3251-F3286 HydrophobicContact CG2-CB 3.84Å; I3251-I3292 HydrophobicContact CD1-CG2 3.84Å; I3251-I3292 HydrophobicContact CG1-CG2 4.29Å |
| 3252 | F | 60.9 | Low | 65.1 | Low | 46 Ų | 46 | 29.1 Ų | 29.1 | 20% | 0.202 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62 | -45.1 | 177.9 | 177.8 | -96.1 | 0 | 0 | 0 | 112.3 | T3190 L3198 F3201 K3208 F3211 E3212 S3248 I3249 D3250 L3254 V3255 S3256 F3286 | T3190-F3252 HydrophobicContact CG2-CD1 3.99Å; T3190-F3252 HydrophobicContact CG2-CD2 4.07Å; T3190-F3252 HydrophobicContact CG2-CE1 3.31Å; T3190-F3252 HydrophobicContact CG2-CE2 3.41Å; T3190-F3252 VanDerWaalsContact CG2-CE2 3.41Å; T3190-F3252 HydrophobicContact CG2-CG 4.35Å; T3190-F3252 HydrophobicContact CG2-CZ 3.01Å; L3198-F3252 HydrophobicContact CB-CD1 4.46Å; L3198-F3252 HydrophobicContact CB-CD2 3.65Å; L3198-F3252 HydrophobicContact CB-CE2 3.75Å; L3198-F3252 HydrophobicContact CB-CG 4.03Å; L3198-F3252 HydrophobicContact CB-CZ 4.21Å; L3198-F3252 HydrophobicContact CD1-CB 3.78Å; L3198-F3252 HydrophobicContact CD1-CD1 4.02Å; L3198-F3252 HydrophobicContact CD1-CD2 4.2Å; L3198-F3252 HydrophobicContact CD1-CG 3.71Å; L3198-F3252 HydrophobicContact CD2-CD1 3.76Å; L3198-F3252 HydrophobicContact CD2-CD2 4.46Å; L3198-F3252 HydrophobicContact CD2-CE1 3.73Å; L3198-F3252 HydrophobicContact CD2-CE2 4.42Å; L3198-F3252 HydrophobicContact CD2-CG 4.14Å; L3198-F3252 HydrophobicContact CD2-CZ 4.07Å; L3198-F3252 HydrophobicContact CG-CD1 4.29Å; L3198-F3252 HydrophobicContact CG-CD2 4.3Å; L3198-F3252 HydrophobicContact CG-CG 4.16Å; F3201-F3252 HydrophobicContact CB-CZ 4.27Å; K3208-F3252 HydrophobicContact CB-CD1 4.18Å; K3208-F3252 HydrophobicContact CB-CE1 4.32Å; K3208-F3252 HydrophobicContact CG-CD1 3.4Å; K3208-F3252 HydrophobicContact CG-CD2 4.29Å; K3208-F3252 HydrophobicContact CG-CE1 3.49Å; K3208-F3252 VanDerWaalsContact CG-CE1 3.49Å; K3208-F3252 HydrophobicContact CG-CE2 4.35Å; K3208-F3252 HydrophobicContact CG-CG 3.83Å; K3208-F3252 HydrophobicContact CG-CZ 3.98Å; K3208-F3252 WeakPolarHBondContact O-CE1 3.5Å; F3211-F3252 HydrophobicContact CB-CE1 4.22Å; E3212-F3252 HydrophobicContact CB-CZ 3.89Å; E3212-F3252 HydrophobicContact CG-CE2 4.33Å; E3212-F3252 HydrophobicContact CG-CZ 3.78Å; E3212-F3252 WeakPolarHBondContact OE1-CE2 3.49Å; E3212-F3252 WeakPolarHBondContact OE1-CZ 3.35Å; S3248-F3252 WeakPolarHBondContact O-CB 3.36Å; S3248-F3252 PolarHBondContact O-N 3.05Å; S3248-F3252 VanDerWaalsContact O-N 3.11Å; I3249-F3252 PolarHBondContact O-N 3.21Å; D3250-F3252 VanDerWaalsContact C-N 3.32Å; D3250-F3252 PolarHBondContact O-N 3.33Å; F3252-L3254 VanDerWaalsContact C-N 3.33Å; F3252-L3254 PolarHBondContact O-N 3.05Å; F3252-V3255 WeakPolarHBondContact O-CB 3.33Å; F3252-V3255 PolarHBondContact O-N 3.19Å; F3252-V3255 VanDerWaalsContact O-N 3.14Å; F3252-S3256 VanDerWaalsContact CE1-OG 3.3Å; F3252-S3256 WeakPolarHBondContact CE1-OG 3.24Å; F3252-S3256 WeakPolarHBondContact CZ-OG 3.3Å; F3252-S3256 WeakPolarHBondContact O-CB 3.36Å; F3252-S3256 PolarHBondContact O-N 3.07Å; F3252-S3256 PolarHBondContact O-OG 3.12Å; F3252-F3286 HydrophobicContact CB-CD2 4.07Å; F3252-F3286 HydrophobicContact CB-CE2 3.85Å; F3252-F3286 HydrophobicContact CB-CZ 4.14Å; F3252-F3286 HydrophobicContact CD2-CD1 4.38Å; F3252-F3286 AromaticContact CD2-CE1 3.89Å; F3252-F3286 HydrophobicContact CD2-CE1 3.95Å; F3252-F3286 HydrophobicContact CD2-CE2 4.32Å; F3252-F3286 AromaticContact CD2-CZ 3.85Å; F3252-F3286 HydrophobicContact CD2-CZ 3.85Å; F3252-F3286 HydrophobicContact CE2-CE1 4.4Å; F3252-F3286 HydrophobicContact CE2-CZ 4.45Å; F3252-F3286 HydrophobicContact CG-CE2 4.36Å; F3252-F3286 HydrophobicContact CG-CZ 4.26Å |
| 3253 | L | 62.3 | Low | 64.8 | Low | 10.4 Ų | 10.4 | 32.6 Ų | 32.6 | 5% | 0.054 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.8 | -45.1 | 178.7 | -147 | 127.1 | 0 | 0 | 0 | 111.3 | L3207 F3211 I3232 F3236 I3249 D3250 I3251 V3255 S3256 L3257 T3486 M3489 L3490 L3493 | L3207-L3253 HydrophobicContact CB-CD1 3.82Å; L3207-L3253 HydrophobicContact CB-CD2 3.91Å; L3207-L3253 HydrophobicContact CB-CG 4.16Å; L3207-L3253 HydrophobicContact CD1-CD1 3.59Å; L3207-L3253 HydrophobicContact CD1-CD2 3.94Å; L3207-L3253 HydrophobicContact CD1-CG 4.37Å; L3207-L3253 HydrophobicContact CD2-CD2 4.1Å; L3207-L3253 HydrophobicContact CG-CD1 4.33Å; L3207-L3253 HydrophobicContact CG-CD2 4.21Å; F3211-L3253 HydrophobicContact CD2-CD2 3.71Å; F3211-L3253 HydrophobicContact CE2-CD2 3.49Å; F3211-L3253 VanDerWaalsContact CE2-CD2 3.49Å; I3232-L3253 HydrophobicContact CG2-CD2 4.31Å; F3236-L3253 HydrophobicContact CD2-CD2 4.29Å; F3236-L3253 HydrophobicContact CE2-CD2 3.75Å; F3236-L3253 VanDerWaalsContact CE2-CD2 3.49Å; F3236-L3253 HydrophobicContact CZ-CB 3.98Å; F3236-L3253 HydrophobicContact CZ-CD1 4.33Å; F3236-L3253 HydrophobicContact CZ-CD2 3.62Å; F3236-L3253 VanDerWaalsContact CZ-CD2 3.4Å; I3249-L3253 HydrophobicContact CG2-CD1 4.11Å; I3249-L3253 WeakPolarHBondContact O-CB 3.42Å; I3249-L3253 PolarHBondContact O-N 3.14Å; D3250-L3253 PolarHBondContact O-N 3.05Å; I3251-L3253 VanDerWaalsContact C-N 3.35Å; I3251-L3253 PolarHBondContact O-N 3.12Å; L3253-V3255 PolarHBondContact O-N 2.96Å; L3253-S3256 WeakPolarHBondContact O-CB 3.48Å; L3253-S3256 PolarHBondContact O-N 3.03Å; L3253-S3256 VanDerWaalsContact O-N 3.16Å; L3253-L3257 HydrophobicContact CD2-CD1 4.05Å; L3253-L3257 HydrophobicContact CG-CD1 4.24Å; L3253-L3257 WeakPolarHBondContact O-CB 3.43Å; L3253-L3257 WeakPolarHBondContact O-CD1 3.32Å; L3253-L3257 VanDerWaalsContact O-CG 3.29Å; L3253-L3257 WeakPolarHBondContact O-CG 3.28Å; L3253-L3257 PolarHBondContact O-N 3.22Å; L3253-T3486 HydrophobicContact CB-CG2 4.22Å; L3253-T3486 HydrophobicContact CD1-CG2 3.6Å; L3253-T3486 HydrophobicContact CD2-CG2 4.15Å; L3253-M3489 HydrophobicContact CD1-CB 4.4Å; L3253-M3489 HydrophobicContact CD2-CB 4.09Å; L3253-L3490 HydrophobicContact CD1-CD1 4.37Å; L3253-L3490 HydrophobicContact CD1-CD2 3.48Å; L3253-L3490 HydrophobicContact CD1-CG 3.8Å; L3253-L3493 HydrophobicContact CD1-CD1 4.07Å |
| 3254 | L | 70.1 | Confident | 64.4 | Low | 0.4 Ų | 0.4 | 31.8 Ų | 31.8 | 0% | 0.002 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 176.4 | -175.7 | 63 | 0 | 0 | 0 | 111.4 | L3233 F3236 L3242 L3246 D3250 I3251 F3252 S3256 L3257 L3258 L3282 M3294 L3302 | L3233-L3254 HydrophobicContact CD1-CD1 4.13Å; F3236-L3254 HydrophobicContact CD1-CD1 4.2Å; F3236-L3254 HydrophobicContact CE1-CB 4.39Å; F3236-L3254 HydrophobicContact CE1-CD1 3.97Å; F3236-L3254 HydrophobicContact CE1-CD2 3.84Å; F3236-L3254 HydrophobicContact CE1-CG 4.29Å; F3236-L3254 HydrophobicContact CG-CD1 4.44Å; F3236-L3254 HydrophobicContact CZ-CB 4.14Å; F3236-L3254 HydrophobicContact CZ-CD1 4.49Å; F3236-L3254 HydrophobicContact CZ-CD2 4.25Å; L3242-L3254 HydrophobicContact CD2-CD2 4.3Å; L3246-L3254 HydrophobicContact CD1-CD2 4.12Å; D3250-L3254 VanDerWaalsContact O-CB 3.26Å; D3250-L3254 WeakPolarHBondContact O-CB 3.35Å; D3250-L3254 PolarHBondContact O-N 3.21Å; I3251-L3254 PolarHBondContact O-N 2.92Å; F3252-L3254 VanDerWaalsContact C-N 3.33Å; F3252-L3254 PolarHBondContact O-N 3.05Å; L3254-S3256 VanDerWaalsContact C-N 3.34Å; L3254-S3256 PolarHBondContact O-N 3.35Å; L3254-L3257 PolarHBondContact O-N 3.18Å; L3254-L3258 HydrophobicContact CD1-CD1 4.12Å; L3254-L3258 HydrophobicContact CD1-CG 4.29Å; L3254-L3258 HydrophobicContact CG-CD1 3.9Å; L3254-L3258 HydrophobicContact CG-CG 4.41Å; L3254-L3258 VanDerWaalsContact O-CB 3.3Å; L3254-L3258 WeakPolarHBondContact O-CB 3.41Å; L3254-L3258 WeakPolarHBondContact O-CD1 3.41Å; L3254-L3258 WeakPolarHBondContact O-CG 3.37Å; L3254-L3258 PolarHBondContact O-N 3.06Å; L3254-L3282 HydrophobicContact CD2-CD1 3.8Å; L3254-L3282 HydrophobicContact CG-CD1 4.17Å; L3254-M3294 HydrophobicContact CD2-CE 4.15Å; L3254-L3302 HydrophobicContact CD1-CD1 4.31Å; L3254-L3302 HydrophobicContact CD1-CD2 4.29Å; L3254-L3302 HydrophobicContact CD2-CD1 4.12Å |
| 3255 | V | 66.3 | Low | 64.1 | Low | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.9 | -48.2 | 174.1 | 162.1 | 0 | 0 | 0 | 0 | 111.4 | I3251 F3252 L3253 L3257 L3258 Q3259 I3279 L3282 L3283 | I3251-V3255 HydrophobicContact CG2-CG2 4.34Å; I3251-V3255 VanDerWaalsContact O-CB 3.3Å; I3251-V3255 WeakPolarHBondContact O-CB 3.24Å; I3251-V3255 VanDerWaalsContact O-CG2 3.27Å; I3251-V3255 WeakPolarHBondContact O-CG2 3.32Å; I3251-V3255 PolarHBondContact O-N 3.17Å; F3252-V3255 WeakPolarHBondContact O-CB 3.33Å; F3252-V3255 PolarHBondContact O-N 3.19Å; F3252-V3255 VanDerWaalsContact O-N 3.14Å; L3253-V3255 PolarHBondContact O-N 2.96Å; V3255-L3257 VanDerWaalsContact C-N 3.32Å; V3255-L3257 PolarHBondContact O-N 3.33Å; V3255-L3258 PolarHBondContact O-N 3.03Å; V3255-Q3259 HydrophobicContact CG1-CG 4.3Å; V3255-Q3259 WeakPolarHBondContact O-CB 3.39Å; V3255-Q3259 VanDerWaalsContact O-CG 3.27Å; V3255-Q3259 WeakPolarHBondContact O-CG 3.26Å; V3255-Q3259 PolarHBondContact O-N 3.14Å; V3255-I3279 HydrophobicContact CG1-CG2 4.35Å; V3255-L3282 HydrophobicContact CG2-CB 3.37Å; V3255-L3282 VanDerWaalsContact CG2-CB 3.41Å; V3255-L3282 HydrophobicContact CG2-CD1 4.23Å; V3255-L3282 HydrophobicContact CG2-CG 4.43Å; V3255-L3283 HydrophobicContact CB-CG 4.4Å; V3255-L3283 HydrophobicContact CG1-CD1 4.25Å; V3255-L3283 HydrophobicContact CG1-CD2 3.73Å; V3255-L3283 HydrophobicContact CG1-CG 3.71Å; V3255-L3283 VanDerWaalsContact CG1-CG 3.5Å; V3255-L3283 HydrophobicContact CG2-CD2 4.49Å; V3255-L3283 HydrophobicContact CG2-CG 4.24Å |
| 3256 | S | 60.7 | Low | 63.3 | Low | 20.4 Ų | 20.4 | 31.2 Ų | 31.2 | 14% | 0.143 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62 | -43.6 | -178.6 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | F3252 L3253 L3254 Q3259 I3260 | F3252-S3256 VanDerWaalsContact CE1-OG 3.3Å; F3252-S3256 WeakPolarHBondContact CE1-OG 3.24Å; F3252-S3256 WeakPolarHBondContact CZ-OG 3.3Å; F3252-S3256 WeakPolarHBondContact O-CB 3.36Å; F3252-S3256 PolarHBondContact O-N 3.07Å; F3252-S3256 PolarHBondContact O-OG 3.12Å; L3253-S3256 WeakPolarHBondContact O-CB 3.48Å; L3253-S3256 PolarHBondContact O-N 3.03Å; L3253-S3256 VanDerWaalsContact O-N 3.16Å; L3254-S3256 VanDerWaalsContact C-N 3.34Å; L3254-S3256 PolarHBondContact O-N 3.35Å; S3256-Q3259 PolarHBondContact O-N 3.37Å; S3256-I3260 WeakPolarHBondContact O-CD1 3.41Å; S3256-I3260 VanDerWaalsContact O-CG1 3.28Å; S3256-I3260 WeakPolarHBondContact O-CG1 3.38Å; S3256-I3260 PolarHBondContact O-N 3.32Å |
| 3257 | L | 65.8 | Low | 62.8 | Low | 3.8 Ų | 3.8 | 38.6 Ų | 38.6 | 2% | 0.02 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.5 | -50.5 | 174.9 | -86.4 | 158.5 | 0 | 0 | 0 | 111.3 | F3211 F3229 I3232 L3233 F3236 L3253 L3254 V3255 Q3259 I3260 I3261 | F3211-L3257 HydrophobicContact CE1-CD2 4.05Å; F3211-L3257 HydrophobicContact CE1-CG 4.4Å; F3211-L3257 HydrophobicContact CZ-CD2 3.76Å; F3211-L3257 HydrophobicContact CZ-CG 4.1Å; F3229-L3257 HydrophobicContact CB-CD1 4.28Å; F3229-L3257 HydrophobicContact CB-CD2 4.02Å; F3229-L3257 HydrophobicContact CB-CG 4.36Å; F3229-L3257 HydrophobicContact CD1-CD1 4.01Å; F3229-L3257 HydrophobicContact CD1-CD2 3.44Å; F3229-L3257 VanDerWaalsContact CD1-CD2 3.49Å; F3229-L3257 HydrophobicContact CD1-CG 4.36Å; F3229-L3257 HydrophobicContact CE1-CD2 4.14Å; F3229-L3257 HydrophobicContact CG-CD2 3.95Å; I3232-L3257 HydrophobicContact CB-CD1 4.14Å; I3232-L3257 HydrophobicContact CB-CD2 4.22Å; I3232-L3257 HydrophobicContact CD1-CD1 4.3Å; I3232-L3257 HydrophobicContact CD1-CD2 4.31Å; I3232-L3257 HydrophobicContact CG2-CD1 3.53Å; I3232-L3257 VanDerWaalsContact CG2-CD1 3.44Å; I3232-L3257 HydrophobicContact CG2-CD2 4.01Å; I3232-L3257 HydrophobicContact CG2-CG 4.42Å; L3233-L3257 HydrophobicContact CB-CD2 3.86Å; L3233-L3257 HydrophobicContact CD1-CD2 3.59Å; L3233-L3257 HydrophobicContact CG-CD2 4.26Å; F3236-L3257 HydrophobicContact CD2-CD1 4.17Å; F3236-L3257 HydrophobicContact CE2-CD1 3.92Å; L3253-L3257 HydrophobicContact CD2-CD1 4.05Å; L3253-L3257 HydrophobicContact CG-CD1 4.24Å; L3253-L3257 WeakPolarHBondContact O-CB 3.43Å; L3253-L3257 WeakPolarHBondContact O-CD1 3.32Å; L3253-L3257 VanDerWaalsContact O-CG 3.29Å; L3253-L3257 WeakPolarHBondContact O-CG 3.28Å; L3253-L3257 PolarHBondContact O-N 3.22Å; L3254-L3257 PolarHBondContact O-N 3.18Å; V3255-L3257 VanDerWaalsContact C-N 3.32Å; V3255-L3257 PolarHBondContact O-N 3.33Å; L3257-Q3259 VanDerWaalsContact C-N 3.33Å; L3257-Q3259 PolarHBondContact O-N 3.28Å; L3257-I3260 PolarHBondContact O-N 2.97Å; L3257-I3261 HydrophobicContact CB-CD1 4.36Å; L3257-I3261 HydrophobicContact CD2-CD1 3.33Å; L3257-I3261 HydrophobicContact CG-CD1 3.91Å; L3257-I3261 VanDerWaalsContact O-CB 3.29Å; L3257-I3261 WeakPolarHBondContact O-CB 3.33Å; L3257-I3261 WeakPolarHBondContact O-CD1 3.37Å; L3257-I3261 VanDerWaalsContact O-CG1 3.26Å; L3257-I3261 WeakPolarHBondContact O-CG1 3.39Å; L3257-I3261 PolarHBondContact O-N 3.3Å; L3257-I3261 VanDerWaalsContact O-N 3.09Å |
| 3258 | L | 70.5 | Confident | 62.6 | Low | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -36.7 | -178.2 | -66 | 170.8 | 0 | 0 | 0 | 112.2 | L3233 L3254 V3255 I3260 I3261 Q3262 L3275 L3278 I3279 L3282 L3302 L3305 | L3233-L3258 HydrophobicContact CD1-CD2 4.31Å; L3254-L3258 HydrophobicContact CD1-CD1 4.12Å; L3254-L3258 HydrophobicContact CD1-CG 4.29Å; L3254-L3258 HydrophobicContact CG-CD1 3.9Å; L3254-L3258 HydrophobicContact CG-CG 4.41Å; L3254-L3258 VanDerWaalsContact O-CB 3.3Å; L3254-L3258 WeakPolarHBondContact O-CB 3.41Å; L3254-L3258 WeakPolarHBondContact O-CD1 3.41Å; L3254-L3258 WeakPolarHBondContact O-CG 3.37Å; L3254-L3258 PolarHBondContact O-N 3.06Å; V3255-L3258 PolarHBondContact O-N 3.03Å; L3258-I3260 VanDerWaalsContact C-N 3.34Å; L3258-I3260 PolarHBondContact O-N 2.94Å; L3258-I3261 PolarHBondContact O-N 3.2Å; L3258-Q3262 VanDerWaalsContact O-CB 3.3Å; L3258-Q3262 WeakPolarHBondContact O-CB 3.38Å; L3258-Q3262 PolarHBondContact O-N 3.26Å; L3258-L3275 HydrophobicContact CB-CD1 3.9Å; L3258-L3275 HydrophobicContact CB-CD2 4.17Å; L3258-L3275 HydrophobicContact CD1-CD1 4.19Å; L3258-L3275 HydrophobicContact CD2-CD1 3.65Å; L3258-L3275 HydrophobicContact CD2-CD2 3.77Å; L3258-L3275 HydrophobicContact CG-CD1 4.04Å; L3258-L3275 HydrophobicContact CG-CD2 4.39Å; L3258-L3278 HydrophobicContact CD1-CD2 4.23Å; L3258-I3279 HydrophobicContact CB-CD1 3.83Å; L3258-I3279 HydrophobicContact CB-CG1 3.67Å; L3258-I3279 HydrophobicContact CD1-CG1 4.33Å; L3258-L3282 HydrophobicContact CD1-CD1 4.25Å; L3258-L3302 HydrophobicContact CD1-CD2 3.94Å; L3258-L3302 HydrophobicContact CD2-CD2 3.53Å; L3258-L3302 VanDerWaalsContact CD2-CD2 3.41Å; L3258-L3302 HydrophobicContact CG-CD2 4.3Å; L3258-L3305 HydrophobicContact CD2-CD1 4.25Å |
| 3259 | Q | 66.3 | Low | 62.8 | Low | 55.8 Ų | 55.8 | 41.9 Ų | 41.9 | 26% | 0.261 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.4 | -38.6 | 175 | -78.7 | 179.9 | -15.6 | 0 | 0 | 112.7 | E3202 V3255 S3256 L3257 P3263 I3279 | E3202-Q3259 PolarHBondContact OE1-NE2 3.44Å; V3255-Q3259 HydrophobicContact CG1-CG 4.3Å; V3255-Q3259 WeakPolarHBondContact O-CB 3.39Å; V3255-Q3259 VanDerWaalsContact O-CG 3.27Å; V3255-Q3259 WeakPolarHBondContact O-CG 3.26Å; V3255-Q3259 PolarHBondContact O-N 3.14Å; S3256-Q3259 PolarHBondContact O-N 3.37Å; L3257-Q3259 VanDerWaalsContact C-N 3.33Å; L3257-Q3259 PolarHBondContact O-N 3.28Å; Q3259-P3263 WeakPolarHBondContact O-CD 3.29Å; Q3259-I3279 HydrophobicContact CG-CD1 4.19Å; Q3259-I3279 HydrophobicContact CG-CG1 4.44Å; Q3259-I3279 HydrophobicContact CG-CG2 3.77Å |
| 3260 | I | 62.3 | Low | 63.1 | Low | 62 Ų | 62 | 45.5 Ų | 45.5 | 32% | 0.318 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -75.7 | -33.8 | 178.5 | -61.2 | 163.2 | 0 | 0 | 0 | 111.3 | N3193 F3211 F3229 S3256 L3257 L3258 P3263 N3264 | N3193-I3260 WeakPolarHBondContact O-CD1 3.48Å; F3211-I3260 HydrophobicContact CD1-CD1 3.73Å; F3211-I3260 HydrophobicContact CE1-CD1 3.82Å; F3229-I3260 HydrophobicContact CD2-CB 4.31Å; F3229-I3260 HydrophobicContact CD2-CG2 3.84Å; F3229-I3260 HydrophobicContact CE1-CD1 4.25Å; F3229-I3260 HydrophobicContact CE2-CB 4.19Å; F3229-I3260 HydrophobicContact CE2-CD1 3.93Å; F3229-I3260 HydrophobicContact CE2-CG1 4.44Å; F3229-I3260 HydrophobicContact CE2-CG2 3.37Å; F3229-I3260 HydrophobicContact CZ-CB 4.47Å; F3229-I3260 HydrophobicContact CZ-CD1 3.76Å; F3229-I3260 HydrophobicContact CZ-CG2 4.13Å; S3256-I3260 WeakPolarHBondContact O-CD1 3.41Å; S3256-I3260 VanDerWaalsContact O-CG1 3.28Å; S3256-I3260 WeakPolarHBondContact O-CG1 3.38Å; S3256-I3260 PolarHBondContact O-N 3.32Å; L3257-I3260 PolarHBondContact O-N 2.97Å; L3258-I3260 VanDerWaalsContact C-N 3.34Å; L3258-I3260 PolarHBondContact O-N 2.94Å; I3260-P3263 WeakPolarHBondContact O-CD 3.41Å; I3260-P3263 WeakPolarHBondContact O-CG 3.23Å; I3260-N3264 PolarHBondContact O-ND2 2.94Å |
| 3261 | I | 65.5 | Low | 63.3 | Low | 0.2 Ų | 0.2 | 46.2 Ų | 46.2 | 0% | 0.001 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.4 | -40.1 | 177.4 | -72.7 | 161 | 0 | 0 | 0 | 111.6 | M3226 F3229 L3233 L3257 L3258 N3264 I3265 L3305 L3309 | M3226-I3261 HydrophobicContact SD-CG1 4.41Å; F3229-I3261 HydrophobicContact CB-CD1 4.24Å; F3229-I3261 HydrophobicContact CB-CG1 4.32Å; L3233-I3261 HydrophobicContact CD2-CD1 4.45Å; L3257-I3261 HydrophobicContact CB-CD1 4.36Å; L3257-I3261 HydrophobicContact CD2-CD1 3.33Å; L3257-I3261 HydrophobicContact CG-CD1 3.91Å; L3257-I3261 VanDerWaalsContact O-CB 3.29Å; L3257-I3261 WeakPolarHBondContact O-CB 3.33Å; L3257-I3261 WeakPolarHBondContact O-CD1 3.37Å; L3257-I3261 VanDerWaalsContact O-CG1 3.26Å; L3257-I3261 WeakPolarHBondContact O-CG1 3.39Å; L3257-I3261 PolarHBondContact O-N 3.3Å; L3257-I3261 VanDerWaalsContact O-N 3.09Å; L3258-I3261 PolarHBondContact O-N 3.2Å; I3261-N3264 WeakPolarHBondContact O-CA 3.31Å; I3261-N3264 WeakPolarHBondContact O-CB 3.46Å; I3261-N3264 PolarHBondContact O-N 3.14Å; I3261-I3265 HydrophobicContact CG2-CD1 3.51Å; I3261-I3265 VanDerWaalsContact CG2-CD1 3.45Å; I3261-I3265 HydrophobicContact CG2-CG1 4.06Å; I3261-I3265 PolarHBondContact O-N 3.08Å; I3261-L3305 HydrophobicContact CD1-CD2 4.36Å; I3261-L3305 HydrophobicContact CG2-CD1 4.34Å; I3261-L3305 HydrophobicContact CG2-CD2 3.98Å; I3261-L3309 HydrophobicContact CD1-CD1 3.63Å; I3261-L3309 HydrophobicContact CG1-CD1 4.05Å; I3261-L3309 HydrophobicContact CG2-CD1 3.92Å; I3261-L3309 HydrophobicContact CG2-CD2 4.19Å; I3261-L3309 HydrophobicContact CG2-CG 4.45Å |
| 3262 | Q | 66.6 | Low | 63.5 | Low | 37.8 Ų | 37.8 | 47.7 Ų | 47.7 | 18% | 0.177 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -46.8 | -50.4 | -175.1 | -175.2 | -169.1 | -20.5 | 0 | 0 | 114.7 | L3258 N3264 I3265 S3272 L3275 K3276 I3279 | L3258-Q3262 VanDerWaalsContact O-CB 3.3Å; L3258-Q3262 WeakPolarHBondContact O-CB 3.38Å; L3258-Q3262 PolarHBondContact O-N 3.26Å; Q3262-N3264 VanDerWaalsContact C-N 3.26Å; Q3262-N3264 PolarHBondContact O-N 3.13Å; Q3262-I3265 PolarHBondContact O-N 3.15Å; Q3262-I3265 VanDerWaalsContact O-N 3.1Å; Q3262-S3272 PolarHBondContact NE2-O 3.27Å; Q3262-L3275 HydrophobicContact CB-CD1 4.42Å; Q3262-L3275 HydrophobicContact CB-CD2 4.02Å; Q3262-L3275 HydrophobicContact CG-CB 4.38Å; Q3262-L3275 HydrophobicContact CG-CD1 4.42Å; Q3262-L3275 HydrophobicContact CG-CD2 4.07Å; Q3262-K3276 HydrophobicContact CG-CG 4.26Å; Q3262-I3279 HydrophobicContact CB-CD1 4.42Å |
| 3263 | P | 61.3 | Low | 63.9 | Low | 78.8 Ų | 78.8 | 50.8 Ų | 50.8 | 51% | 0.512 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -67.5 | -17.5 | -179.6 | 26.1 | -35.5 | 0 | 0 | 0 | 114 | Q3259 I3260 T3266 | Q3259-P3263 WeakPolarHBondContact O-CD 3.29Å; I3260-P3263 WeakPolarHBondContact O-CD 3.41Å; I3260-P3263 WeakPolarHBondContact O-CG 3.23Å; P3263-T3266 VanDerWaalsContact O-CG2 3.26Å; P3263-T3266 WeakPolarHBondContact O-CG2 3.38Å |
| 3264 | N | 60.3 | Low | 64.3 | Low | 77.8 Ų | 77.8 | 53.8 Ų | 53.8 | 42% | 0.416 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -90.7 | -7.3 | 180 | -65 | -40 | 0 | 0 | 0 | 113.1 | M3226 I3260 I3261 Q3262 T3266 | M3226-N3264 HydrophobicContact CE-CB 3.61Å; M3226-N3264 VanDerWaalsContact CE-CB 3.47Å; M3226-N3264 VanDerWaalsContact CG-ND2 3.32Å; M3226-N3264 WeakPolarHBondContact CG-ND2 3.45Å; M3226-N3264 HydrophobicContact SD-CB 3.85Å; M3226-N3264 PolarHBondContact SD-ND2 3.29Å; M3226-N3264 VanDerWaalsContact SD-ND2 3.37Å; I3260-N3264 PolarHBondContact O-ND2 2.94Å; I3261-N3264 WeakPolarHBondContact O-CA 3.31Å; I3261-N3264 WeakPolarHBondContact O-CB 3.46Å; I3261-N3264 PolarHBondContact O-N 3.14Å; Q3262-N3264 VanDerWaalsContact C-N 3.26Å; Q3262-N3264 PolarHBondContact O-N 3.13Å; N3264-T3266 VanDerWaalsContact C-N 3.34Å; N3264-T3266 PolarHBondContact O-N 3.28Å |
| 3265 | I | 61.7 | Low | 64.3 | Low | 28.2 Ų | 28.2 | 53.8 Ų | 53.8 | 15% | 0.145 | 30% | 0.295 | C | S | . | . | trans | -99.6 | 59.6 | 173.8 | -51.4 | 175.3 | 0 | 0 | 0 | 108.7 | I3261 Q3262 N3267 D3268 I3271 L3275 L3305 L3309 | I3261-I3265 HydrophobicContact CG2-CD1 3.51Å; I3261-I3265 VanDerWaalsContact CG2-CD1 3.45Å; I3261-I3265 HydrophobicContact CG2-CG1 4.06Å; I3261-I3265 PolarHBondContact O-N 3.08Å; Q3262-I3265 PolarHBondContact O-N 3.15Å; Q3262-I3265 VanDerWaalsContact O-N 3.1Å; I3265-N3267 VanDerWaalsContact C-N 3.32Å; I3265-N3267 PolarHBondContact O-N 3.05Å; I3265-N3267 VanDerWaalsContact O-N 3.09Å; I3265-D3268 HydrophobicContact CG2-CB 4.33Å; I3265-I3271 HydrophobicContact CG2-CG2 4.42Å; I3265-L3275 HydrophobicContact CD1-CD1 3.81Å; I3265-L3275 HydrophobicContact CD1-CD2 3.94Å; I3265-L3305 HydrophobicContact CD1-CD1 3.48Å; I3265-L3305 HydrophobicContact CD1-CD2 3.67Å; I3265-L3305 HydrophobicContact CD1-CG 3.96Å; I3265-L3309 HydrophobicContact CD1-CD2 4.27Å; I3265-L3309 HydrophobicContact CD1-CG 4.42Å | ||
| 3266 | T | 52.1 | Low | 64.5 | Low | 109.2 Ų | 109.2 | 58.1 Ų | 58.1 | 67% | 0.67 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -20.2 | -172.5 | 50.7 | 0 | 0 | 0 | 0 | 114.6 | P3263 N3264 | P3263-T3266 VanDerWaalsContact O-CG2 3.26Å; P3263-T3266 WeakPolarHBondContact O-CG2 3.38Å; N3264-T3266 VanDerWaalsContact C-N 3.34Å; N3264-T3266 PolarHBondContact O-N 3.28Å |
| 3267 | N | 57.1 | Low | 65 | Low | 156.4 Ų | 156.4 | 61.6 Ų | 61.6 | 84% | 0.836 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -4.5 | -163.8 | -65 | -4.6 | 0 | 0 | 0 | 114.7 | I3265 | I3265-N3267 VanDerWaalsContact C-N 3.32Å; I3265-N3267 PolarHBondContact O-N 3.05Å; I3265-N3267 VanDerWaalsContact O-N 3.09Å |
| 3268 | D | 61.9 | Low | 65.4 | Low | 46 Ų | 46 | 61.8 Ų | 61.8 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | trans | -130.8 | 92.3 | -175.2 | -154.2 | -24.7 | 0 | 0 | 0 | 110.6 | I3265 E3270 I3271 S3272 R3308 | I3265-D3268 HydrophobicContact CG2-CB 4.33Å; D3268-E3270 VanDerWaalsContact C-N 3.33Å; D3268-E3270 PolarHBondContact O-N 3.17Å; D3268-E3270 PolarHBondContact OD1-N 2.92Å; D3268-I3271 HydrophobicContact CB-CB 4.32Å; D3268-I3271 HydrophobicContact CB-CD1 4.23Å; D3268-I3271 HydrophobicContact CB-CG1 4.42Å; D3268-I3271 PolarHBondContact O-N 3.13Å; D3268-I3271 PolarHBondContact OD1-N 3.32Å; D3268-I3271 WeakPolarHBondContact OD2-CD1 3.4Å; D3268-S3272 VanDerWaalsContact O-CB 3.23Å; D3268-S3272 WeakPolarHBondContact O-CB 3.44Å; D3268-S3272 PolarHBondContact O-N 3.16Å; D3268-S3272 VanDerWaalsContact O-N 3.11Å; D3268-R3308 IonicContact OD2-CZ 3.37Å; D3268-R3308 VanDerWaalsContact OD2-CZ 3.26Å; D3268-R3308 IonicContact OD2-NH1 3.34Å; D3268-R3308 PolarHBondContact OD2-NH1 3.21Å; D3268-R3308 IonicContact OD2-NH2 3.42Å; D3268-R3308 PolarHBondContact OD2-NH2 3.08Å | ||
| 3269 | A | 63.2 | Low | 65.5 | Low | 77.2 Ų | 77.2 | 62.1 Ų | 62.1 | 64% | 0.638 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.8 | -33.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S3272 F3273 | A3269-S3272 PolarHBondContact O-N 3.26Å; A3269-S3272 PolarHBondContact O-OG 2.84Å; A3269-F3273 VanDerWaalsContact O-CB 3.24Å; A3269-F3273 WeakPolarHBondContact O-CB 3.39Å; A3269-F3273 PolarHBondContact O-N 3.28Å |
| 3270 | E | 65.1 | Low | 65.4 | Low | 132 Ų | 132 | 62.3 Ų | 62.3 | 62% | 0.617 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -68.4 | -46.7 | 179.9 | -156.7 | 173.1 | -164.6 | 0 | 0 | 111 | T3021 D3268 S3272 F3273 H3274 | T3021-E3270 HydrophobicContact CG2-CB 4.36Å; T3021-E3270 HydrophobicContact CG2-CG 4.44Å; D3268-E3270 VanDerWaalsContact C-N 3.33Å; D3268-E3270 PolarHBondContact O-N 3.17Å; D3268-E3270 PolarHBondContact OD1-N 2.92Å; E3270-S3272 PolarHBondContact O-N 3.17Å; E3270-F3273 WeakPolarHBondContact O-CB 3.3Å; E3270-F3273 PolarHBondContact O-N 3.14Å; E3270-H3274 PolarHBondContact O-CD2 3.1Å; E3270-H3274 PolarHBondContact O-N 3.26Å; E3270-H3274 VanDerWaalsContact O-N 3.09Å |
| 3271 | I | 67.6 | Low | 65.8 | Low | 26 Ų | 26 | 63.3 Ų | 63.3 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 175.5 | -66.3 | -175.1 | 0 | 0 | 0 | 111.1 | I3265 D3268 F3273 H3274 L3275 L3305 R3308 | I3265-I3271 HydrophobicContact CG2-CG2 4.42Å; D3268-I3271 HydrophobicContact CB-CB 4.32Å; D3268-I3271 HydrophobicContact CB-CD1 4.23Å; D3268-I3271 HydrophobicContact CB-CG1 4.42Å; D3268-I3271 PolarHBondContact O-N 3.13Å; D3268-I3271 PolarHBondContact OD1-N 3.32Å; D3268-I3271 WeakPolarHBondContact OD2-CD1 3.4Å; I3271-F3273 VanDerWaalsContact C-N 3.29Å; I3271-F3273 PolarHBondContact O-N 3.13Å; I3271-H3274 PolarHBondContact O-N 3.1Å; I3271-L3275 HydrophobicContact CG2-CD1 3.92Å; I3271-L3275 HydrophobicContact CG2-CG 4.17Å; I3271-L3275 VanDerWaalsContact O-CB 3.26Å; I3271-L3275 WeakPolarHBondContact O-CB 3.39Å; I3271-L3275 VanDerWaalsContact O-CG 3.23Å; I3271-L3275 WeakPolarHBondContact O-CG 3.41Å; I3271-L3275 PolarHBondContact O-N 3.24Å; I3271-L3305 HydrophobicContact CG2-CD1 4.38Å; I3271-L3305 HydrophobicContact CG2-CD2 3.67Å; I3271-L3305 HydrophobicContact CG2-CG 4.4Å; I3271-R3308 VanDerWaalsContact CD1-NH2 3.29Å |
| 3272 | S | 66 | Low | 65.9 | Low | 32.2 Ų | 32.2 | 63.4 Ų | 63.4 | 23% | 0.225 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.1 | -38.1 | 177.2 | 173.1 | 0 | 0 | 0 | 0 | 112.1 | Q3262 D3268 A3269 E3270 L3275 K3276 | Q3262-S3272 PolarHBondContact NE2-O 3.27Å; D3268-S3272 VanDerWaalsContact O-CB 3.23Å; D3268-S3272 WeakPolarHBondContact O-CB 3.44Å; D3268-S3272 PolarHBondContact O-N 3.16Å; D3268-S3272 VanDerWaalsContact O-N 3.11Å; A3269-S3272 PolarHBondContact O-N 3.26Å; A3269-S3272 PolarHBondContact O-OG 2.84Å; E3270-S3272 PolarHBondContact O-N 3.17Å; S3272-L3275 WeakPolarHBondContact O-CB 3.39Å; S3272-K3276 VanDerWaalsContact O-CB 3.27Å; S3272-K3276 WeakPolarHBondContact O-CB 3.41Å; S3272-K3276 WeakPolarHBondContact O-CG 3.43Å; S3272-K3276 PolarHBondContact O-N 3.19Å; S3272-K3276 VanDerWaalsContact O-N 3.1Å |
| 3273 | F | 68.3 | Low | 65.7 | Low | 110.8 Ų | 110.8 | 63.2 Ų | 63.2 | 49% | 0.486 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.1 | -49.7 | 175.3 | 177.7 | -97.7 | 0 | 0 | 0 | 112.1 | N3015 I3016 Y3019 T3021 I3023 A3269 E3270 I3271 L3275 K3276 H3277 | N3015-F3273 WeakPolarHBondContact O-CE2 3.5Å; I3016-F3273 HydrophobicContact CG1-CZ 4.36Å; Y3019-F3273 VanDerWaalsContact CB-CD2 3.42Å; Y3019-F3273 HydrophobicContact CD1-CB 4.17Å; Y3019-F3273 HydrophobicContact CD2-CB 4.37Å; Y3019-F3273 AromaticContact CD2-CD2 3.55Å; Y3019-F3273 HydrophobicContact CD2-CD2 3.55Å; Y3019-F3273 HydrophobicContact CD2-CE2 4.33Å; Y3019-F3273 HydrophobicContact CD2-CG 4.41Å; Y3019-F3273 HydrophobicContact CE2-CD2 4.49Å; Y3019-F3273 HydrophobicContact CG-CB 4Å; Y3019-F3273 AromaticContact CG-CD2 3.6Å; Y3019-F3273 HydrophobicContact CG-CD2 3.6Å; Y3019-F3273 HydrophobicContact CG-CE2 4.46Å; Y3019-F3273 HydrophobicContact CG-CG 4.14Å; T3021-F3273 WeakPolarHBondContact OG1-CD1 3.06Å; T3021-F3273 WeakPolarHBondContact OG1-CE1 3.21Å; T3021-F3273 VanDerWaalsContact OG1-CG 3.25Å; T3021-F3273 WeakPolarHBondContact OG1-CG 3.46Å; I3023-F3273 HydrophobicContact CG1-CZ 4.43Å; A3269-F3273 VanDerWaalsContact O-CB 3.24Å; A3269-F3273 WeakPolarHBondContact O-CB 3.39Å; A3269-F3273 PolarHBondContact O-N 3.28Å; E3270-F3273 WeakPolarHBondContact O-CB 3.3Å; E3270-F3273 PolarHBondContact O-N 3.14Å; I3271-F3273 VanDerWaalsContact C-N 3.29Å; I3271-F3273 PolarHBondContact O-N 3.13Å; F3273-L3275 VanDerWaalsContact C-N 3.32Å; F3273-L3275 PolarHBondContact O-N 3.19Å; F3273-K3276 WeakPolarHBondContact O-CB 3.43Å; F3273-K3276 PolarHBondContact O-N 3Å; F3273-K3276 VanDerWaalsContact O-N 3.15Å; F3273-H3277 PolarHBondContact O-N 2.95Å; F3273-H3277 VanDerWaalsContact O-N 3.1Å |
| 3274 | H | 70.9 | Confident | 65.7 | Low | 73.4 Ų | 73.4 | 65.3 Ų | 65.3 | 34% | 0.34 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.1 | -36.2 | 178.6 | -71.1 | -58.7 | 0 | 0 | 0 | 112.6 | S3022 W3024 E3027 E3270 I3271 H3277 L3278 L3301 | S3022-H3274 PolarHBondContact O-CE1 3.46Å; S3022-H3274 PolarHBondContact O-NE2 3.47Å; W3024-H3274 AromaticContact CD1-CE1 3.66Å; W3024-H3274 AromaticContact CD2-CE1 3.81Å; W3024-H3274 AromaticContact CD2-ND1 3.68Å; W3024-H3274 AromaticContact CE2-CD2 3.88Å; W3024-H3274 AromaticContact CE2-CE1 3.44Å; W3024-H3274 VanDerWaalsContact CE2-CE1 3.44Å; W3024-H3274 AromaticContact CE2-CG 3.81Å; W3024-H3274 AromaticContact CE2-ND1 3.54Å; W3024-H3274 AromaticContact CE2-NE2 3.68Å; W3024-H3274 AromaticContact CG-CE1 3.96Å; W3024-H3274 HydrophobicContact CH2-CB 3.78Å; W3024-H3274 AromaticContact CH2-CG 3.82Å; W3024-H3274 HydrophobicContact CZ2-CB 4.04Å; W3024-H3274 AromaticContact CZ2-CD2 3.61Å; W3024-H3274 AromaticContact CZ2-CE1 3.96Å; W3024-H3274 AromaticContact CZ2-CG 3.57Å; W3024-H3274 AromaticContact CZ2-ND1 3.8Å; W3024-H3274 AromaticContact CZ2-NE2 3.88Å; W3024-H3274 HydrophobicContact CZ3-CB 4.12Å; W3024-H3274 AromaticContact NE1-CE1 3.3Å; W3024-H3274 PolarHBondContact NE1-CE1 2.72Å; W3024-H3274 VanDerWaalsContact NE1-CE1 3.3Å; W3024-H3274 AromaticContact NE1-ND1 3.89Å; W3024-H3274 AromaticContact NE1-NE2 3.47Å; W3024-H3274 PolarHBondContact NE1-NE2 3.02Å; E3027-H3274 VanDerWaalsContact CD-ND1 3.32Å; E3027-H3274 IonicContact OE1-CE1 3.89Å; E3027-H3274 IonicContact OE1-CG 3.58Å; E3027-H3274 IonicContact OE1-ND1 2.93Å; E3027-H3274 PolarHBondContact OE1-ND1 3.39Å; E3027-H3274 IonicContact OE2-CE1 2.62Å; E3027-H3274 PolarHBondContact OE2-CE1 3.12Å; E3027-H3274 IonicContact OE2-ND1 3.81Å; E3027-H3274 PolarHBondContact OE2-ND1 3.29Å; E3027-H3274 VanDerWaalsContact OE2-ND1 3.14Å; E3270-H3274 PolarHBondContact O-CD2 3.1Å; E3270-H3274 PolarHBondContact O-N 3.26Å; E3270-H3274 VanDerWaalsContact O-N 3.09Å; I3271-H3274 PolarHBondContact O-N 3.1Å; H3274-H3277 PolarHBondContact O-N 3.18Å; H3274-L3278 WeakPolarHBondContact O-CB 3.36Å; H3274-L3278 PolarHBondContact O-N 3.31Å; H3274-L3301 HydrophobicContact CB-CD1 3.38Å |
| 3275 | L | 71.8 | Confident | 65.7 | Low | 0.2 Ų | 0.2 | 62 Ų | 62 | 0% | 0.001 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.5 | -49 | 171.5 | -123.9 | 132.4 | 0 | 0 | 0 | 111.5 | L3258 Q3262 I3265 I3271 S3272 F3273 H3277 L3278 I3279 L3301 L3305 | L3258-L3275 HydrophobicContact CB-CD1 3.9Å; L3258-L3275 HydrophobicContact CB-CD2 4.17Å; L3258-L3275 HydrophobicContact CD1-CD1 4.19Å; L3258-L3275 HydrophobicContact CD2-CD1 3.65Å; L3258-L3275 HydrophobicContact CD2-CD2 3.77Å; L3258-L3275 HydrophobicContact CG-CD1 4.04Å; L3258-L3275 HydrophobicContact CG-CD2 4.39Å; Q3262-L3275 HydrophobicContact CB-CD1 4.42Å; Q3262-L3275 HydrophobicContact CB-CD2 4.02Å; Q3262-L3275 HydrophobicContact CG-CB 4.38Å; Q3262-L3275 HydrophobicContact CG-CD1 4.42Å; Q3262-L3275 HydrophobicContact CG-CD2 4.07Å; I3265-L3275 HydrophobicContact CD1-CD1 3.81Å; I3265-L3275 HydrophobicContact CD1-CD2 3.94Å; I3271-L3275 HydrophobicContact CG2-CD1 3.92Å; I3271-L3275 HydrophobicContact CG2-CG 4.17Å; I3271-L3275 VanDerWaalsContact O-CB 3.26Å; I3271-L3275 WeakPolarHBondContact O-CB 3.39Å; I3271-L3275 VanDerWaalsContact O-CG 3.23Å; I3271-L3275 WeakPolarHBondContact O-CG 3.41Å; I3271-L3275 PolarHBondContact O-N 3.24Å; S3272-L3275 WeakPolarHBondContact O-CB 3.39Å; F3273-L3275 VanDerWaalsContact C-N 3.32Å; F3273-L3275 PolarHBondContact O-N 3.19Å; L3275-H3277 VanDerWaalsContact C-N 3.3Å; L3275-H3277 PolarHBondContact O-N 3.04Å; L3275-L3278 PolarHBondContact O-N 2.97Å; L3275-L3278 VanDerWaalsContact O-N 3.14Å; L3275-I3279 HydrophobicContact CB-CD1 4.48Å; L3275-I3279 HydrophobicContact CD1-CD1 4.29Å; L3275-I3279 HydrophobicContact CD1-CG1 4.44Å; L3275-I3279 HydrophobicContact CD2-CD1 4.05Å; L3275-I3279 HydrophobicContact CG-CD1 4.04Å; L3275-I3279 WeakPolarHBondContact O-CB 3.36Å; L3275-I3279 VanDerWaalsContact O-CG1 3.27Å; L3275-I3279 WeakPolarHBondContact O-CG1 3.42Å; L3275-I3279 PolarHBondContact O-N 3.14Å; L3275-L3301 HydrophobicContact CD1-CD2 3.99Å; L3275-L3301 HydrophobicContact CD2-CD2 4.04Å; L3275-L3301 HydrophobicContact CG-CD2 4.32Å; L3275-L3305 HydrophobicContact CD1-CD1 3.7Å; L3275-L3305 HydrophobicContact CD1-CD2 3.9Å; L3275-L3305 HydrophobicContact CD1-CG 4.49Å; L3275-L3305 HydrophobicContact CD2-CD1 3.73Å; L3275-L3305 VanDerWaalsContact CD2-CD1 3.43Å; L3275-L3305 HydrophobicContact CG-CD1 4.11Å; L3275-L3305 HydrophobicContact CG-CD2 4.47Å |
| 3276 | K | 70.1 | Confident | 65.4 | Low | 91.4 Ų | 91.4 | 62.4 Ų | 62.4 | 40% | 0.397 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.5 | -43 | 176.7 | -136 | 176.4 | 178.6 | 179.6 | 0 | 111.2 | Y3019 Q3262 S3272 F3273 L3278 I3279 T3280 | Y3019-K3276 HydrophobicContact CE2-CD 4.24Å; Y3019-K3276 PolarHBondContact OH-NZ 3.41Å; Q3262-K3276 HydrophobicContact CG-CG 4.26Å; S3272-K3276 VanDerWaalsContact O-CB 3.27Å; S3272-K3276 WeakPolarHBondContact O-CB 3.41Å; S3272-K3276 WeakPolarHBondContact O-CG 3.43Å; S3272-K3276 PolarHBondContact O-N 3.19Å; S3272-K3276 VanDerWaalsContact O-N 3.1Å; F3273-K3276 WeakPolarHBondContact O-CB 3.43Å; F3273-K3276 PolarHBondContact O-N 3Å; F3273-K3276 VanDerWaalsContact O-N 3.15Å; K3276-L3278 VanDerWaalsContact C-N 3.33Å; K3276-L3278 PolarHBondContact O-N 3.18Å; K3276-I3279 PolarHBondContact O-N 2.86Å; K3276-T3280 VanDerWaalsContact O-CB 3.3Å; K3276-T3280 WeakPolarHBondContact O-CB 3.45Å; K3276-T3280 PolarHBondContact O-N 3.35Å; K3276-T3280 VanDerWaalsContact O-N 3.1Å; K3276-T3280 PolarHBondContact O-OG1 3.21Å |
| 3277 | H | 71.1 | Confident | 65.5 | Low | 94.6 Ų | 94.6 | 60.5 Ų | 60.5 | 44% | 0.438 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 177.7 | -165.9 | 60 | 0 | 0 | 0 | 112.1 | E3027 F3273 H3274 L3275 T3280 R3281 | E3027-H3277 HydrophobicContact CG-CB 4.29Å; E3027-H3277 WeakPolarHBondContact CG-ND1 3.35Å; E3027-H3277 WeakPolarHBondContact OE1-CB 3.41Å; E3027-H3277 IonicContact OE1-CG 3.63Å; F3273-H3277 PolarHBondContact O-N 2.95Å; F3273-H3277 VanDerWaalsContact O-N 3.1Å; H3274-H3277 PolarHBondContact O-N 3.18Å; L3275-H3277 VanDerWaalsContact C-N 3.3Å; L3275-H3277 PolarHBondContact O-N 3.04Å; H3277-T3280 PolarHBondContact O-N 3.21Å; H3277-R3281 VanDerWaalsContact O-CB 3.32Å; H3277-R3281 WeakPolarHBondContact O-CB 3.38Å; H3277-R3281 PolarHBondContact O-N 3.15Å |
| 3278 | L | 74.3 | Confident | 65.4 | Low | 7.6 Ų | 7.6 | 55.2 Ų | 55.2 | 4% | 0.04 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 175.8 | -178.4 | 60.3 | 0 | 0 | 0 | 112 | L3258 H3274 L3275 K3276 T3280 R3281 L3282 M3294 S3298 L3301 L3302 | L3258-L3278 HydrophobicContact CD1-CD2 4.23Å; H3274-L3278 WeakPolarHBondContact O-CB 3.36Å; H3274-L3278 PolarHBondContact O-N 3.31Å; L3275-L3278 PolarHBondContact O-N 2.97Å; L3275-L3278 VanDerWaalsContact O-N 3.14Å; K3276-L3278 VanDerWaalsContact C-N 3.33Å; K3276-L3278 PolarHBondContact O-N 3.18Å; L3278-T3280 VanDerWaalsContact C-N 3.31Å; L3278-T3280 PolarHBondContact O-N 3.14Å; L3278-R3281 WeakPolarHBondContact O-CB 3.39Å; L3278-R3281 PolarHBondContact O-N 2.95Å; L3278-L3282 HydrophobicContact CD1-CD1 4.11Å; L3278-L3282 HydrophobicContact CD1-CG 4.15Å; L3278-L3282 HydrophobicContact CG-CD1 3.96Å; L3278-L3282 HydrophobicContact CG-CG 4.42Å; L3278-L3282 WeakPolarHBondContact O-CB 3.38Å; L3278-L3282 VanDerWaalsContact O-CG 3.29Å; L3278-L3282 WeakPolarHBondContact O-CG 3.37Å; L3278-L3282 PolarHBondContact O-N 3.13Å; L3278-M3294 HydrophobicContact CD1-CE 3.99Å; L3278-M3294 HydrophobicContact CD1-SD 4.4Å; L3278-M3294 HydrophobicContact CD2-CE 4.25Å; L3278-M3294 HydrophobicContact CG-CE 4.45Å; L3278-S3298 WeakPolarHBondContact CD1-OG 3.33Å; L3278-L3301 HydrophobicContact CB-CD2 4.42Å; L3278-L3301 HydrophobicContact CD2-CD2 3.88Å; L3278-L3302 HydrophobicContact CD2-CD1 4.46Å; L3278-L3302 HydrophobicContact CD2-CD2 4.08Å; L3278-L3302 HydrophobicContact CD2-CG 4.23Å |
| 3279 | I | 71.1 | Confident | 65.1 | Low | 6.4 Ų | 6.4 | 57.7 Ų | 57.7 | 3% | 0.033 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.8 | -47.7 | 175.4 | -71.7 | 164.4 | 0 | 0 | 0 | 110.4 | V3255 L3258 Q3259 Q3262 L3275 K3276 R3281 L3282 L3283 | V3255-I3279 HydrophobicContact CG1-CG2 4.35Å; L3258-I3279 HydrophobicContact CB-CD1 3.83Å; L3258-I3279 HydrophobicContact CB-CG1 3.67Å; L3258-I3279 HydrophobicContact CD1-CG1 4.33Å; Q3259-I3279 HydrophobicContact CG-CD1 4.19Å; Q3259-I3279 HydrophobicContact CG-CG1 4.44Å; Q3259-I3279 HydrophobicContact CG-CG2 3.77Å; Q3262-I3279 HydrophobicContact CB-CD1 4.42Å; L3275-I3279 HydrophobicContact CB-CD1 4.48Å; L3275-I3279 HydrophobicContact CD1-CD1 4.29Å; L3275-I3279 HydrophobicContact CD1-CG1 4.44Å; L3275-I3279 HydrophobicContact CD2-CD1 4.05Å; L3275-I3279 HydrophobicContact CG-CD1 4.04Å; L3275-I3279 WeakPolarHBondContact O-CB 3.36Å; L3275-I3279 VanDerWaalsContact O-CG1 3.27Å; L3275-I3279 WeakPolarHBondContact O-CG1 3.42Å; L3275-I3279 PolarHBondContact O-N 3.14Å; K3276-I3279 PolarHBondContact O-N 2.86Å; I3279-R3281 VanDerWaalsContact C-N 3.33Å; I3279-R3281 PolarHBondContact O-N 3.06Å; I3279-L3282 PolarHBondContact O-N 3.24Å; I3279-L3283 HydrophobicContact CG2-CD1 3.84Å; I3279-L3283 HydrophobicContact CG2-CG 4.48Å; I3279-L3283 VanDerWaalsContact O-CB 3.31Å; I3279-L3283 WeakPolarHBondContact O-CB 3.37Å; I3279-L3283 VanDerWaalsContact O-CG 3.32Å; I3279-L3283 WeakPolarHBondContact O-CG 3.29Å; I3279-L3283 PolarHBondContact O-N 3.34Å |
| 3280 | T | 66.2 | Low | 64.8 | Low | 60.4 Ų | 60.4 | 58.2 Ų | 58.2 | 37% | 0.371 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | -179.9 | -54.2 | 0 | 0 | 0 | 0 | 111.6 | L3008 I3012 K3276 H3277 L3278 L3283 Y3284 | L3008-T3280 HydrophobicContact CD2-CG2 4.12Å; I3012-T3280 HydrophobicContact CD1-CG2 4.47Å; I3012-T3280 HydrophobicContact CG1-CG2 3.86Å; K3276-T3280 VanDerWaalsContact O-CB 3.3Å; K3276-T3280 WeakPolarHBondContact O-CB 3.45Å; K3276-T3280 PolarHBondContact O-N 3.35Å; K3276-T3280 VanDerWaalsContact O-N 3.1Å; K3276-T3280 PolarHBondContact O-OG1 3.21Å; H3277-T3280 PolarHBondContact O-N 3.21Å; L3278-T3280 VanDerWaalsContact C-N 3.31Å; L3278-T3280 PolarHBondContact O-N 3.14Å; T3280-L3283 PolarHBondContact O-N 3.24Å; T3280-Y3284 WeakPolarHBondContact O-CB 3.34Å; T3280-Y3284 PolarHBondContact O-N 3.15Å |
| 3281 | R | 69.1 | Low | 64.6 | Low | 82.4 Ų | 82.4 | 56.4 Ų | 56.4 | 31% | 0.311 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 176.5 | 179.8 | 176.3 | 170.5 | -164.2 | -5.2 | 111.3 | I3030 H3277 L3278 I3279 Y3284 I3285 D3295 | I3030-R3281 HydrophobicContact CD1-CB 3.89Å; I3030-R3281 HydrophobicContact CD1-CG 3.74Å; H3277-R3281 VanDerWaalsContact O-CB 3.32Å; H3277-R3281 WeakPolarHBondContact O-CB 3.38Å; H3277-R3281 PolarHBondContact O-N 3.15Å; L3278-R3281 WeakPolarHBondContact O-CB 3.39Å; L3278-R3281 PolarHBondContact O-N 2.95Å; I3279-R3281 VanDerWaalsContact C-N 3.33Å; I3279-R3281 PolarHBondContact O-N 3.06Å; R3281-Y3284 WeakPolarHBondContact O-CA 3.31Å; R3281-Y3284 WeakPolarHBondContact O-CB 3.34Å; R3281-Y3284 PolarHBondContact O-N 3.4Å; R3281-Y3284 VanDerWaalsContact O-N 3.1Å; R3281-I3285 HydrophobicContact CG-CD1 3.84Å; R3281-I3285 VanDerWaalsContact O-CD1 3.28Å; R3281-I3285 WeakPolarHBondContact O-CD1 3.36Å; R3281-I3285 WeakPolarHBondContact O-CG1 3.34Å; R3281-I3285 PolarHBondContact O-N 3.2Å; R3281-I3285 VanDerWaalsContact O-N 3.12Å; R3281-D3295 IonicContact CZ-OD1 3.75Å; R3281-D3295 IonicContact CZ-OD2 3.27Å; R3281-D3295 IonicContact NH1-OD1 3.11Å; R3281-D3295 PolarHBondContact NH1-OD1 3Å; R3281-D3295 IonicContact NH1-OD2 3.37Å; R3281-D3295 PolarHBondContact NH1-OD2 2.99Å; R3281-D3295 IonicContact NH2-OD1 2.62Å; R3281-D3295 IonicContact NH2-OD2 2.91Å; R3281-D3295 PolarHBondContact NH2-OD2 3.37Å |
| 3282 | L | 68.1 | Low | 64.6 | Low | 2.4 Ų | 2.4 | 56.7 Ų | 56.7 | 1% | 0.013 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 178.1 | -73.1 | 175.1 | 0 | 0 | 0 | 112.2 | I3251 L3254 V3255 L3258 L3278 I3279 Y3284 I3285 F3286 I3292 M3294 | I3251-L3282 HydrophobicContact CG1-CD2 4.42Å; I3251-L3282 HydrophobicContact CG2-CB 3.9Å; I3251-L3282 HydrophobicContact CG2-CD2 4.11Å; I3251-L3282 VanDerWaalsContact CG2-O 3.32Å; I3251-L3282 WeakPolarHBondContact CG2-O 3.34Å; L3254-L3282 HydrophobicContact CD2-CD1 3.8Å; L3254-L3282 HydrophobicContact CG-CD1 4.17Å; V3255-L3282 HydrophobicContact CG2-CB 3.37Å; V3255-L3282 VanDerWaalsContact CG2-CB 3.41Å; V3255-L3282 HydrophobicContact CG2-CD1 4.23Å; V3255-L3282 HydrophobicContact CG2-CG 4.43Å; L3258-L3282 HydrophobicContact CD1-CD1 4.25Å; L3278-L3282 HydrophobicContact CD1-CD1 4.11Å; L3278-L3282 HydrophobicContact CD1-CG 4.15Å; L3278-L3282 HydrophobicContact CG-CD1 3.96Å; L3278-L3282 HydrophobicContact CG-CG 4.42Å; L3278-L3282 WeakPolarHBondContact O-CB 3.38Å; L3278-L3282 VanDerWaalsContact O-CG 3.29Å; L3278-L3282 WeakPolarHBondContact O-CG 3.37Å; L3278-L3282 PolarHBondContact O-N 3.13Å; I3279-L3282 PolarHBondContact O-N 3.24Å; L3282-Y3284 VanDerWaalsContact C-N 3.32Å; L3282-Y3284 PolarHBondContact O-N 3.14Å; L3282-I3285 HydrophobicContact CD2-CD1 4.4Å; L3282-I3285 WeakPolarHBondContact O-CB 3.38Å; L3282-I3285 PolarHBondContact O-N 3.12Å; L3282-I3285 VanDerWaalsContact O-N 3.1Å; L3282-F3286 VanDerWaalsContact O-CB 3.3Å; L3282-F3286 WeakPolarHBondContact O-CB 3.37Å; L3282-F3286 PolarHBondContact O-N 3.25Å; L3282-I3292 HydrophobicContact CD2-CG2 4.3Å; L3282-M3294 HydrophobicContact CD1-CE 4.42Å; L3282-M3294 HydrophobicContact CD2-CE 4.46Å; L3282-M3294 HydrophobicContact CD2-SD 3.83Å |
| 3283 | L | 62.7 | Low | 64.8 | Low | 34.2 Ų | 34.2 | 60.7 Ų | 60.7 | 18% | 0.179 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.6 | -44.8 | 172.3 | -82.7 | 165.1 | 0 | 0 | 0 | 112.2 | V3255 I3279 T3280 I3285 F3286 I3287 | V3255-L3283 HydrophobicContact CB-CG 4.4Å; V3255-L3283 HydrophobicContact CG1-CD1 4.25Å; V3255-L3283 HydrophobicContact CG1-CD2 3.73Å; V3255-L3283 HydrophobicContact CG1-CG 3.71Å; V3255-L3283 VanDerWaalsContact CG1-CG 3.5Å; V3255-L3283 HydrophobicContact CG2-CD2 4.49Å; V3255-L3283 HydrophobicContact CG2-CG 4.24Å; I3279-L3283 HydrophobicContact CG2-CD1 3.84Å; I3279-L3283 HydrophobicContact CG2-CG 4.48Å; I3279-L3283 VanDerWaalsContact O-CB 3.31Å; I3279-L3283 WeakPolarHBondContact O-CB 3.37Å; I3279-L3283 VanDerWaalsContact O-CG 3.32Å; I3279-L3283 WeakPolarHBondContact O-CG 3.29Å; I3279-L3283 PolarHBondContact O-N 3.34Å; T3280-L3283 PolarHBondContact O-N 3.24Å; L3283-I3285 VanDerWaalsContact C-N 3.29Å; L3283-I3285 PolarHBondContact O-N 3.07Å; L3283-F3286 WeakPolarHBondContact O-CB 3.33Å; L3283-F3286 PolarHBondContact O-N 3.23Å; L3283-I3287 WeakPolarHBondContact O-CB 3.29Å; L3283-I3287 WeakPolarHBondContact O-CD1 3.42Å; L3283-I3287 VanDerWaalsContact O-CG1 3.24Å; L3283-I3287 WeakPolarHBondContact O-CG1 3.33Å; L3283-I3287 PolarHBondContact O-N 3.1Å |
| 3284 | Y | 61.2 | Low | 64.9 | Low | 123.2 Ų | 123.2 | 56 Ų | 56 | 48% | 0.483 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 177 | -176.6 | -94 | 0 | 0 | 0 | 111.9 | L3008 T3280 R3281 L3282 F3286 I3287 T3288 | L3008-Y3284 HydrophobicContact CD1-CD2 3.82Å; L3008-Y3284 HydrophobicContact CD1-CE2 3.95Å; T3280-Y3284 WeakPolarHBondContact O-CB 3.34Å; T3280-Y3284 PolarHBondContact O-N 3.15Å; R3281-Y3284 WeakPolarHBondContact O-CA 3.31Å; R3281-Y3284 WeakPolarHBondContact O-CB 3.34Å; R3281-Y3284 PolarHBondContact O-N 3.4Å; R3281-Y3284 VanDerWaalsContact O-N 3.1Å; L3282-Y3284 VanDerWaalsContact C-N 3.32Å; L3282-Y3284 PolarHBondContact O-N 3.14Å; Y3284-F3286 PolarHBondContact O-N 3.2Å; Y3284-I3287 PolarHBondContact O-N 3.2Å; Y3284-I3287 VanDerWaalsContact O-N 3.16Å; Y3284-T3288 HydrophobicContact CD1-CG2 4.34Å; Y3284-T3288 HydrophobicContact CE1-CG2 4.06Å; Y3284-T3288 HydrophobicContact CE2-CG2 4.33Å; Y3284-T3288 WeakPolarHBondContact O-CG2 3.37Å; Y3284-T3288 PolarHBondContact O-N 3.14Å; Y3284-T3288 PolarHBondContact O-OG1 3.12Å |
| 3285 | I | 60.1 | Low | 65 | Low | 6.8 Ų | 6.8 | 54.7 Ų | 54.7 | 4% | 0.035 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64 | -43.7 | 178.9 | -64.8 | 159.6 | 0 | 0 | 0 | 110.9 | I3251 R3281 L3282 L3283 I3287 T3288 N3289 Q3290 I3292 | I3251-I3285 HydrophobicContact CD1-CB 4.34Å; I3251-I3285 HydrophobicContact CD1-CG2 3.63Å; R3281-I3285 HydrophobicContact CG-CD1 3.84Å; R3281-I3285 VanDerWaalsContact O-CD1 3.28Å; R3281-I3285 WeakPolarHBondContact O-CD1 3.36Å; R3281-I3285 WeakPolarHBondContact O-CG1 3.34Å; R3281-I3285 PolarHBondContact O-N 3.2Å; R3281-I3285 VanDerWaalsContact O-N 3.12Å; L3282-I3285 HydrophobicContact CD2-CD1 4.4Å; L3282-I3285 WeakPolarHBondContact O-CB 3.38Å; L3282-I3285 PolarHBondContact O-N 3.12Å; L3282-I3285 VanDerWaalsContact O-N 3.1Å; L3283-I3285 VanDerWaalsContact C-N 3.29Å; L3283-I3285 PolarHBondContact O-N 3.07Å; I3285-I3287 VanDerWaalsContact C-N 3.34Å; I3285-I3287 PolarHBondContact O-N 3.24Å; I3285-T3288 WeakPolarHBondContact CA-OG1 3.25Å; I3285-T3288 CarbonylContact O-C 3.54Å; I3285-T3288 PolarHBondContact O-N 3.3Å; I3285-T3288 PolarHBondContact O-OG1 3.23Å; I3285-T3288 VanDerWaalsContact O-OG1 3.08Å; I3285-N3289 PolarHBondContact O-N 3.12Å; I3285-N3289 VanDerWaalsContact O-N 3.13Å; I3285-Q3290 HydrophobicContact CG2-CB 4.25Å; I3285-Q3290 WeakPolarHBondContact CG2-O 3.25Å; I3285-Q3290 PolarHBondContact O-N 2.91Å; I3285-Q3290 VanDerWaalsContact O-N 3.15Å; I3285-I3292 HydrophobicContact CB-CD1 4.19Å; I3285-I3292 HydrophobicContact CB-CG1 4.49Å; I3285-I3292 HydrophobicContact CD1-CB 4.22Å; I3285-I3292 HydrophobicContact CD1-CD1 3.5Å; I3285-I3292 VanDerWaalsContact CD1-CD1 3.48Å; I3285-I3292 HydrophobicContact CD1-CG1 4.2Å; I3285-I3292 HydrophobicContact CD1-CG2 4.14Å; I3285-I3292 HydrophobicContact CG1-CD1 3.7Å; I3285-I3292 VanDerWaalsContact CG1-CD1 3.41Å; I3285-I3292 HydrophobicContact CG1-CG1 4.28Å; I3285-I3292 HydrophobicContact CG2-CB 4.02Å; I3285-I3292 HydrophobicContact CG2-CD1 3.64Å; I3285-I3292 VanDerWaalsContact CG2-CD1 3.46Å; I3285-I3292 HydrophobicContact CG2-CG1 3.79Å; I3285-I3292 VanDerWaalsContact CG2-CG1 3.42Å; I3285-I3292 HydrophobicContact CG2-CG2 4.11Å |
| 3286 | F | 56.2 | Low | 65.2 | Low | 36.6 Ų | 36.6 | 62.6 Ų | 62.6 | 16% | 0.161 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58 | -47.1 | 174.1 | 175.2 | -106.8 | 0 | 0 | 0 | 111.9 | Y3148 Y3186 D3196 L3198 S3248 I3251 F3252 L3282 L3283 Y3284 T3288 N3289 | Y3148-F3286 HydrophobicContact CE1-CD1 4.39Å; Y3148-F3286 AromaticContact CE1-CE1 3.97Å; Y3148-F3286 HydrophobicContact CE1-CE1 3.97Å; Y3186-F3286 HydrophobicContact CE1-CZ 4.19Å; D3196-F3286 HydrophobicContact CB-CE1 4.34Å; D3196-F3286 HydrophobicContact CB-CZ 3.83Å; L3198-F3286 HydrophobicContact CB-CE1 4.1Å; L3198-F3286 HydrophobicContact CB-CZ 3.69Å; L3198-F3286 HydrophobicContact CD1-CE2 3.54Å; L3198-F3286 HydrophobicContact CD1-CZ 3.51Å; L3198-F3286 HydrophobicContact CG-CZ 4.08Å; S3248-F3286 WeakPolarHBondContact O-CD2 3.34Å; S3248-F3286 VanDerWaalsContact O-CE2 3.27Å; S3248-F3286 WeakPolarHBondContact O-CE2 3.34Å; I3251-F3286 HydrophobicContact CB-CB 4.28Å; I3251-F3286 HydrophobicContact CG2-CB 3.84Å; F3252-F3286 HydrophobicContact CB-CD2 4.07Å; F3252-F3286 HydrophobicContact CB-CE2 3.85Å; F3252-F3286 HydrophobicContact CB-CZ 4.14Å; F3252-F3286 HydrophobicContact CD2-CD1 4.38Å; F3252-F3286 AromaticContact CD2-CE1 3.89Å; F3252-F3286 HydrophobicContact CD2-CE1 3.95Å; F3252-F3286 HydrophobicContact CD2-CE2 4.32Å; F3252-F3286 AromaticContact CD2-CZ 3.85Å; F3252-F3286 HydrophobicContact CD2-CZ 3.85Å; F3252-F3286 HydrophobicContact CE2-CE1 4.4Å; F3252-F3286 HydrophobicContact CE2-CZ 4.45Å; F3252-F3286 HydrophobicContact CG-CE2 4.36Å; F3252-F3286 HydrophobicContact CG-CZ 4.26Å; L3282-F3286 VanDerWaalsContact O-CB 3.3Å; L3282-F3286 WeakPolarHBondContact O-CB 3.37Å; L3282-F3286 PolarHBondContact O-N 3.25Å; L3283-F3286 WeakPolarHBondContact O-CB 3.33Å; L3283-F3286 PolarHBondContact O-N 3.23Å; Y3284-F3286 PolarHBondContact O-N 3.2Å; F3286-T3288 VanDerWaalsContact C-N 3.29Å; F3286-T3288 PolarHBondContact O-N 3.12Å; F3286-N3289 WeakPolarHBondContact O-CA 3.35Å; F3286-N3289 PolarHBondContact O-N 3.13Å; F3286-N3289 VanDerWaalsContact O-N 3.1Å; F3286-N3289 PolarHBondContact O-OD1 3.02Å |
| 3287 | I | 52.8 | Low | 65.3 | Low | 71 Ų | 71 | 64 Ų | 64 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.8 | -35.7 | 178.5 | -68.1 | 162.3 | 0 | 0 | 0 | 111.4 | M3001 L3008 Y3148 I3152 L3198 L3283 Y3284 I3285 N3289 | M3001-I3287 HydrophobicContact SD-CG2 4.34Å; L3008-I3287 HydrophobicContact CD1-CD1 4.01Å; Y3148-I3287 HydrophobicContact CD1-CG1 4.06Å; Y3148-I3287 HydrophobicContact CE1-CG1 4.41Å; Y3148-I3287 HydrophobicContact CG-CG1 4.37Å; I3152-I3287 HydrophobicContact CD1-CD1 3.8Å; I3152-I3287 HydrophobicContact CG1-CD1 4Å; L3198-I3287 HydrophobicContact CD1-CD1 4.33Å; L3198-I3287 HydrophobicContact CD1-CG1 4.22Å; L3283-I3287 WeakPolarHBondContact O-CB 3.29Å; L3283-I3287 WeakPolarHBondContact O-CD1 3.42Å; L3283-I3287 VanDerWaalsContact O-CG1 3.24Å; L3283-I3287 WeakPolarHBondContact O-CG1 3.33Å; L3283-I3287 PolarHBondContact O-N 3.1Å; Y3284-I3287 PolarHBondContact O-N 3.2Å; Y3284-I3287 VanDerWaalsContact O-N 3.16Å; I3285-I3287 VanDerWaalsContact C-N 3.34Å; I3285-I3287 PolarHBondContact O-N 3.24Å; I3287-N3289 VanDerWaalsContact C-N 3.28Å; I3287-N3289 PolarHBondContact O-N 3.18Å |
| 3288 | T | 56.1 | Low | 65.4 | Low | 45.4 Ų | 45.4 | 60 Ų | 60 | 28% | 0.279 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -3.1 | 174.7 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | Y3284 I3285 F3286 Q3290 | Y3284-T3288 HydrophobicContact CD1-CG2 4.34Å; Y3284-T3288 HydrophobicContact CE1-CG2 4.06Å; Y3284-T3288 HydrophobicContact CE2-CG2 4.33Å; Y3284-T3288 WeakPolarHBondContact O-CG2 3.37Å; Y3284-T3288 PolarHBondContact O-N 3.14Å; Y3284-T3288 PolarHBondContact O-OG1 3.12Å; I3285-T3288 WeakPolarHBondContact CA-OG1 3.25Å; I3285-T3288 CarbonylContact O-C 3.54Å; I3285-T3288 PolarHBondContact O-N 3.3Å; I3285-T3288 PolarHBondContact O-OG1 3.23Å; I3285-T3288 VanDerWaalsContact O-OG1 3.08Å; F3286-T3288 VanDerWaalsContact C-N 3.29Å; F3286-T3288 PolarHBondContact O-N 3.12Å; T3288-Q3290 VanDerWaalsContact C-N 3.29Å; T3288-Q3290 WeakPolarHBondContact O-CG 2.81Å; T3288-Q3290 PolarHBondContact O-N 3.01Å; T3288-Q3290 WeakPolarHBondContact OG1-CG 3.43Å; T3288-Q3290 PolarHBondContact OG1-OE1 3.15Å |
| 3289 | N | 54.7 | Low | 65.6 | Low | 98.4 Ų | 98.4 | 61.4 Ų | 61.4 | 53% | 0.526 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 37.9 | -177.5 | -127.2 | 13.2 | 0 | 0 | 0 | 113.2 | D3196 S3248 I3285 F3286 I3287 | D3196-N3289 PolarHBondContact OD2-ND2 3.15Å; S3248-N3289 WeakPolarHBondContact CB-OD1 3.26Å; S3248-N3289 PolarHBondContact OG-OD1 3.42Å; I3285-N3289 PolarHBondContact O-N 3.12Å; I3285-N3289 VanDerWaalsContact O-N 3.13Å; F3286-N3289 WeakPolarHBondContact O-CA 3.35Å; F3286-N3289 PolarHBondContact O-N 3.13Å; F3286-N3289 VanDerWaalsContact O-N 3.1Å; F3286-N3289 PolarHBondContact O-OD1 3.02Å; I3287-N3289 VanDerWaalsContact C-N 3.28Å; I3287-N3289 PolarHBondContact O-N 3.18Å |
| 3290 | Q | 56.4 | Low | 66 | Low | 87.6 Ų | 87.6 | 69 Ų | 69 | 41% | 0.409 | 33% | 0.325 | S | S | . | . | trans | -99 | 133.3 | -179.8 | -68.1 | 179.1 | 3.1 | 0 | 0 | 110.9 | I3285 T3288 I3292 | I3285-Q3290 HydrophobicContact CG2-CB 4.25Å; I3285-Q3290 WeakPolarHBondContact CG2-O 3.25Å; I3285-Q3290 PolarHBondContact O-N 2.91Å; I3285-Q3290 VanDerWaalsContact O-N 3.15Å; T3288-Q3290 VanDerWaalsContact C-N 3.29Å; T3288-Q3290 WeakPolarHBondContact O-CG 2.81Å; T3288-Q3290 PolarHBondContact O-N 3.01Å; T3288-Q3290 WeakPolarHBondContact OG1-CG 3.43Å; T3288-Q3290 PolarHBondContact OG1-OE1 3.15Å; Q3290-I3292 HydrophobicContact CB-CG1 4.42Å; Q3290-I3292 PolarHBondContact O-N 3.06Å | ||
| 3291 | N | 62.3 | Low | 66.6 | Low | 92.6 Ų | 92.6 | 67.4 Ų | 67.4 | 50% | 0.495 | 31% | 0.314 | S | S | . | . | trans | -76.2 | 132.7 | 169.3 | -68.1 | -8 | 0 | 0 | 0 | 109.3 | L3246 | L3246-N3291 WeakPolarHBondContact O-CA 3.26Š| ||
| 3292 | I | 66.8 | Low | 67.1 | Low | 33.6 Ų | 33.6 | 63.5 Ų | 63.5 | 17% | 0.172 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 143.7 | -176.4 | -94.1 | -172.6 | 0 | 0 | 0 | 112.9 | S3245 L3246 I3251 L3282 I3285 Q3290 | S3245-I3292 WeakPolarHBondContact CA-O 3.45Å; L3246-I3292 HydrophobicContact CB-CG2 4.45Å; L3246-I3292 PolarHBondContact N-O 3.02Å; L3246-I3292 PolarHBondContact O-N 3.07Å; I3251-I3292 HydrophobicContact CD1-CG2 3.84Å; I3251-I3292 HydrophobicContact CG1-CG2 4.29Å; L3282-I3292 HydrophobicContact CD2-CG2 4.3Å; I3285-I3292 HydrophobicContact CB-CD1 4.19Å; I3285-I3292 HydrophobicContact CB-CG1 4.49Å; I3285-I3292 HydrophobicContact CD1-CB 4.22Å; I3285-I3292 HydrophobicContact CD1-CD1 3.5Å; I3285-I3292 VanDerWaalsContact CD1-CD1 3.48Å; I3285-I3292 HydrophobicContact CD1-CG1 4.2Å; I3285-I3292 HydrophobicContact CD1-CG2 4.14Å; I3285-I3292 HydrophobicContact CG1-CD1 3.7Å; I3285-I3292 VanDerWaalsContact CG1-CD1 3.41Å; I3285-I3292 HydrophobicContact CG1-CG1 4.28Å; I3285-I3292 HydrophobicContact CG2-CB 4.02Å; I3285-I3292 HydrophobicContact CG2-CD1 3.64Å; I3285-I3292 VanDerWaalsContact CG2-CD1 3.46Å; I3285-I3292 HydrophobicContact CG2-CG1 3.79Å; I3285-I3292 VanDerWaalsContact CG2-CG1 3.42Å; I3285-I3292 HydrophobicContact CG2-CG2 4.11Å; Q3290-I3292 HydrophobicContact CB-CG1 4.42Å; Q3290-I3292 PolarHBondContact O-N 3.06Å |
| 3293 | F | 70.9 | Confident | 67.7 | Low | 116 Ų | 116 | 66.3 Ų | 66.3 | 51% | 0.509 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 125.5 | 165.1 | -70.9 | -85.6 | 0 | 0 | 0 | 110.2 | Q3244 S3245 D3295 | Q3244-F3293 VanDerWaalsContact C-CD1 3.49Å; Q3244-F3293 VanDerWaalsContact C-CE1 3.43Å; Q3244-F3293 WeakPolarHBondContact O-CD1 3.33Å; S3245-F3293 VanDerWaalsContact N-CE1 3.35Å; F3293-D3295 PolarHBondContact O-N 3.05Å |
| 3294 | M | 69.7 | Low | 68.4 | Low | 10.8 Ų | 10.8 | 69.1 Ų | 69.1 | 5% | 0.053 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 132.1 | 172.9 | -69.7 | -72.2 | -85.4 | 0 | 0 | 110.3 | L3242 L3246 L3254 L3278 L3282 K3299 L3302 | L3242-M3294 HydrophobicContact CD2-CB 4.42Å; L3242-M3294 HydrophobicContact CD2-CE 4.23Å; L3242-M3294 HydrophobicContact CD2-CG 4.13Å; L3246-M3294 HydrophobicContact CD1-CG 3.53Å; L3246-M3294 VanDerWaalsContact CD1-CG 3.49Å; L3246-M3294 HydrophobicContact CD1-SD 4.06Å; L3246-M3294 HydrophobicContact CG-CG 4.32Å; L3254-M3294 HydrophobicContact CD2-CE 4.15Å; L3278-M3294 HydrophobicContact CD1-CE 3.99Å; L3278-M3294 HydrophobicContact CD1-SD 4.4Å; L3278-M3294 HydrophobicContact CD2-CE 4.25Å; L3278-M3294 HydrophobicContact CG-CE 4.45Å; L3282-M3294 HydrophobicContact CD1-CE 4.42Å; L3282-M3294 HydrophobicContact CD2-CE 4.46Å; L3282-M3294 HydrophobicContact CD2-SD 3.83Å; M3294-K3299 HydrophobicContact CB-CG 4Å; M3294-K3299 WeakPolarHBondContact O-CE 3.32Å; M3294-K3299 PolarHBondContact O-NZ 2.78Å; M3294-K3299 VanDerWaalsContact O-NZ 3.17Å; M3294-L3302 HydrophobicContact CE-CD1 3.44Å; M3294-L3302 VanDerWaalsContact CE-CD1 3.45Å; M3294-L3302 HydrophobicContact CE-CG 4.44Å |
| 3295 | D | 74.3 | Confident | 69.2 | Low | 48 Ų | 48 | 63.4 Ų | 63.4 | 26% | 0.257 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 161.6 | 175.5 | 61.4 | 25.8 | 0 | 0 | 0 | 111.8 | T3026 R3281 F3293 L3297 S3298 K3299 | T3026-D3295 HydrophobicContact CG2-CB 4.45Å; R3281-D3295 IonicContact CZ-OD1 3.75Å; R3281-D3295 IonicContact CZ-OD2 3.27Å; R3281-D3295 IonicContact NH1-OD1 3.11Å; R3281-D3295 PolarHBondContact NH1-OD1 3Å; R3281-D3295 IonicContact NH1-OD2 3.37Å; R3281-D3295 PolarHBondContact NH1-OD2 2.99Å; R3281-D3295 IonicContact NH2-OD1 2.62Å; R3281-D3295 IonicContact NH2-OD2 2.91Å; R3281-D3295 PolarHBondContact NH2-OD2 3.37Å; F3293-D3295 PolarHBondContact O-N 3.05Å; D3295-L3297 PolarHBondContact O-N 3.03Å; D3295-L3297 VanDerWaalsContact O-N 3.16Å; D3295-L3297 PolarHBondContact OD1-N 3.15Å; D3295-L3297 WeakPolarHBondContact OD2-CB 3.44Å; D3295-L3297 PolarHBondContact OD2-N 3.43Å; D3295-S3298 PolarHBondContact O-N 3.14Å; D3295-S3298 VanDerWaalsContact O-N 3.15Å; D3295-S3298 VanDerWaalsContact OD1-CB 3.32Å; D3295-S3298 WeakPolarHBondContact OD1-CB 3.35Å; D3295-S3298 PolarHBondContact OD1-N 3.23Å; D3295-S3298 PolarHBondContact OD1-OG 3.15Å; D3295-S3298 PolarHBondContact OD2-N 2.96Å; D3295-S3298 VanDerWaalsContact OD2-N 3.14Å; D3295-S3298 PolarHBondContact OD2-OG 3.28Å; D3295-K3299 WeakPolarHBondContact O-CG 3.37Å; D3295-K3299 PolarHBondContact O-N 3.26Å |
| 3296 | K | 74.4 | Confident | 70.2 | Confident | 166 Ų | 166 | 63.3 Ų | 63.3 | 72% | 0.722 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -59.5 | -28.7 | -176.3 | -72.1 | -178.5 | 177.3 | 176.2 | 0 | 113.4 | R3300 | K3296-R3300 WeakPolarHBondContact O-CB 3.31Å; K3296-R3300 WeakPolarHBondContact O-CG 3.31Å; K3296-R3300 PolarHBondContact O-N 3.07Å; K3296-R3300 VanDerWaalsContact O-N 3.11Å |
| 3297 | L | 72.2 | Confident | 71.3 | Confident | 119.2 Ų | 119.2 | 67.5 Ų | 67.5 | 62% | 0.624 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -76.1 | -45.4 | 179.1 | -76.8 | 169.5 | 0 | 0 | 0 | 111 | W3024 D3295 K3299 R3300 L3301 | W3024-L3297 HydrophobicContact CB-CD1 4.33Å; W3024-L3297 HydrophobicContact CD2-CB 4.39Å; W3024-L3297 HydrophobicContact CD2-CD1 4.32Å; W3024-L3297 HydrophobicContact CE3-CB 4.03Å; W3024-L3297 HydrophobicContact CG-CD1 4.21Å; W3024-L3297 HydrophobicContact CZ3-CB 4.1Å; D3295-L3297 PolarHBondContact O-N 3.03Å; D3295-L3297 VanDerWaalsContact O-N 3.16Å; D3295-L3297 PolarHBondContact OD1-N 3.15Å; D3295-L3297 WeakPolarHBondContact OD2-CB 3.44Å; D3295-L3297 PolarHBondContact OD2-N 3.43Å; L3297-K3299 VanDerWaalsContact C-N 3.29Å; L3297-K3299 PolarHBondContact O-N 2.99Å; L3297-R3300 PolarHBondContact O-N 3.08Å; L3297-L3301 WeakPolarHBondContact O-CB 3.32Å; L3297-L3301 PolarHBondContact O-N 3.16Å |
| 3298 | S | 74.4 | Confident | 72.3 | Confident | 11.2 Ų | 11.2 | 69.6 Ų | 69.6 | 8% | 0.078 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.1 | -36.6 | 175.5 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | L3278 D3295 L3301 L3302 | L3278-S3298 WeakPolarHBondContact CD1-OG 3.33Å; D3295-S3298 PolarHBondContact O-N 3.14Å; D3295-S3298 VanDerWaalsContact O-N 3.15Å; D3295-S3298 VanDerWaalsContact OD1-CB 3.32Å; D3295-S3298 WeakPolarHBondContact OD1-CB 3.35Å; D3295-S3298 PolarHBondContact OD1-N 3.23Å; D3295-S3298 PolarHBondContact OD1-OG 3.15Å; D3295-S3298 PolarHBondContact OD2-N 2.96Å; D3295-S3298 VanDerWaalsContact OD2-N 3.14Å; D3295-S3298 PolarHBondContact OD2-OG 3.28Å; S3298-L3301 PolarHBondContact O-N 3.14Å; S3298-L3302 VanDerWaalsContact O-CG 3.29Å; S3298-L3302 WeakPolarHBondContact O-CG 3.4Å; S3298-L3302 PolarHBondContact O-N 3.31Å; S3298-L3302 VanDerWaalsContact O-N 3.1Å |
| 3299 | K | 78 | Confident | 73.2 | Confident | 38.2 Ų | 38.2 | 67.7 Ų | 67.7 | 17% | 0.166 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.3 | -54.4 | 172.3 | -70.9 | 178.3 | -174.8 | -172.7 | 0 | 112 | L3242 N3243 M3294 D3295 L3297 L3301 L3302 D3303 | L3242-K3299 HydrophobicContact CB-CG 4.39Å; L3242-K3299 WeakPolarHBondContact O-CE 3.31Å; L3242-K3299 PolarHBondContact O-NZ 3.16Å; L3242-K3299 VanDerWaalsContact O-NZ 3.14Å; N3243-K3299 WeakPolarHBondContact OD1-CE 3.35Å; N3243-K3299 PolarHBondContact OD1-NZ 2.98Å; M3294-K3299 HydrophobicContact CB-CG 4Å; M3294-K3299 WeakPolarHBondContact O-CE 3.32Å; M3294-K3299 PolarHBondContact O-NZ 2.78Å; M3294-K3299 VanDerWaalsContact O-NZ 3.17Å; D3295-K3299 WeakPolarHBondContact O-CG 3.37Å; D3295-K3299 PolarHBondContact O-N 3.26Å; L3297-K3299 VanDerWaalsContact C-N 3.29Å; L3297-K3299 PolarHBondContact O-N 2.99Å; K3299-L3301 VanDerWaalsContact C-N 3.26Å; K3299-L3301 PolarHBondContact O-N 3.15Å; K3299-L3302 CarbonylContact O-C 3.59Å; K3299-L3302 WeakPolarHBondContact O-CA 3.38Å; K3299-L3302 WeakPolarHBondContact O-CB 3.4Å; K3299-L3302 PolarHBondContact O-N 3.28Å; K3299-D3303 PolarHBondContact O-N 3.04Å |
| 3300 | R | 78.4 | Confident | 74.1 | Confident | 164.6 Ų | 164.6 | 65.7 Ų | 65.7 | 62% | 0.621 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -55.2 | -40.7 | 177.5 | -91.2 | 177.6 | 179.2 | 176.8 | -0 | 112.2 | K3296 L3297 L3302 D3303 D3304 | K3296-R3300 WeakPolarHBondContact O-CB 3.31Å; K3296-R3300 WeakPolarHBondContact O-CG 3.31Å; K3296-R3300 PolarHBondContact O-N 3.07Å; K3296-R3300 VanDerWaalsContact O-N 3.11Å; L3297-R3300 PolarHBondContact O-N 3.08Å; R3300-L3302 VanDerWaalsContact C-N 3.32Å; R3300-L3302 PolarHBondContact O-N 3.09Å; R3300-D3303 WeakPolarHBondContact CA-OD2 3.41Å; R3300-D3303 PolarHBondContact O-N 3.21Å; R3300-D3304 WeakPolarHBondContact CG-OD2 3.31Å; R3300-D3304 IonicContact NE-OD2 2.67Å; R3300-D3304 PolarHBondContact NE-OD2 3.09Å; R3300-D3304 VanDerWaalsContact O-CB 3.26Å; R3300-D3304 WeakPolarHBondContact O-CB 3.39Å; R3300-D3304 VanDerWaalsContact O-CG 3.28Å; R3300-D3304 PolarHBondContact O-N 3.17Å |
| 3301 | L | 79.1 | Confident | 74.9 | Confident | 27.2 Ų | 27.2 | 64.8 Ų | 64.8 | 14% | 0.142 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 176 | -176.2 | 132.6 | 0 | 0 | 0 | 112.2 | W3024 H3274 L3275 L3278 L3297 S3298 K3299 L3305 | W3024-L3301 HydrophobicContact CH2-CB 3.95Å; W3024-L3301 HydrophobicContact CH2-CD1 3.46Å; W3024-L3301 VanDerWaalsContact CH2-CD1 3.46Å; W3024-L3301 HydrophobicContact CH2-CG 4.32Å; W3024-L3301 HydrophobicContact CZ2-CD1 4.33Å; W3024-L3301 HydrophobicContact CZ3-CD1 4.14Å; H3274-L3301 HydrophobicContact CB-CD1 3.38Å; L3275-L3301 HydrophobicContact CD1-CD2 3.99Å; L3275-L3301 HydrophobicContact CD2-CD2 4.04Å; L3275-L3301 HydrophobicContact CG-CD2 4.32Å; L3278-L3301 HydrophobicContact CB-CD2 4.42Å; L3278-L3301 HydrophobicContact CD2-CD2 3.88Å; L3297-L3301 WeakPolarHBondContact O-CB 3.32Å; L3297-L3301 PolarHBondContact O-N 3.16Å; S3298-L3301 PolarHBondContact O-N 3.14Å; K3299-L3301 VanDerWaalsContact C-N 3.26Å; K3299-L3301 PolarHBondContact O-N 3.15Å; L3301-L3305 HydrophobicContact CD2-CD1 3.75Å; L3301-L3305 VanDerWaalsContact CD2-CD1 3.48Å; L3301-L3305 HydrophobicContact CD2-CG 4.46Å; L3301-L3305 HydrophobicContact CG-CD1 4.08Å; L3301-L3305 VanDerWaalsContact O-CB 3.28Å; L3301-L3305 WeakPolarHBondContact O-CB 3.3Å; L3301-L3305 WeakPolarHBondContact O-CD1 3.28Å; L3301-L3305 WeakPolarHBondContact O-CG 3.29Å; L3301-L3305 PolarHBondContact O-N 3.14Å; L3301-L3305 VanDerWaalsContact O-N 3.12Å |
| 3302 | L | 79.7 | Confident | 75.3 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.9 | -37.6 | 174.9 | -66.7 | 174.3 | 0 | 0 | 0 | 112.3 | L3233 L3242 L3254 L3258 L3278 M3294 S3298 K3299 R3300 L3305 C3306 | L3233-L3302 HydrophobicContact CD1-CD2 4.24Å; L3242-L3302 HydrophobicContact CD1-CB 4.22Å; L3242-L3302 HydrophobicContact CD1-CD1 3.96Å; L3242-L3302 HydrophobicContact CD2-CD1 3.8Å; L3254-L3302 HydrophobicContact CD1-CD1 4.31Å; L3254-L3302 HydrophobicContact CD1-CD2 4.29Å; L3254-L3302 HydrophobicContact CD2-CD1 4.12Å; L3258-L3302 HydrophobicContact CD1-CD2 3.94Å; L3258-L3302 HydrophobicContact CD2-CD2 3.53Å; L3258-L3302 VanDerWaalsContact CD2-CD2 3.41Å; L3258-L3302 HydrophobicContact CG-CD2 4.3Å; L3278-L3302 HydrophobicContact CD2-CD1 4.46Å; L3278-L3302 HydrophobicContact CD2-CD2 4.08Å; L3278-L3302 HydrophobicContact CD2-CG 4.23Å; M3294-L3302 HydrophobicContact CE-CD1 3.44Å; M3294-L3302 VanDerWaalsContact CE-CD1 3.45Å; M3294-L3302 HydrophobicContact CE-CG 4.44Å; S3298-L3302 VanDerWaalsContact O-CG 3.29Å; S3298-L3302 WeakPolarHBondContact O-CG 3.4Å; S3298-L3302 PolarHBondContact O-N 3.31Å; S3298-L3302 VanDerWaalsContact O-N 3.1Å; K3299-L3302 CarbonylContact O-C 3.59Å; K3299-L3302 WeakPolarHBondContact O-CA 3.38Å; K3299-L3302 WeakPolarHBondContact O-CB 3.4Å; K3299-L3302 PolarHBondContact O-N 3.28Å; R3300-L3302 VanDerWaalsContact C-N 3.32Å; R3300-L3302 PolarHBondContact O-N 3.09Å; L3302-L3305 HydrophobicContact CD2-CD1 4.47Å; L3302-L3305 PolarHBondContact O-N 2.95Å; L3302-C3306 VanDerWaalsContact O-CB 3.23Å; L3302-C3306 WeakPolarHBondContact O-CB 3.37Å; L3302-C3306 PolarHBondContact O-N 3.26Å |
| 3303 | D | 80.4 | Confident | 75.5 | Confident | 61.8 Ų | 61.8 | 62.3 Ų | 62.3 | 33% | 0.33 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.3 | -49.5 | 176.3 | -58.9 | -28.5 | 0 | 0 | 0 | 110.7 | V3237 K3299 R3300 L3305 C3306 E3307 | V3237-D3303 WeakPolarHBondContact CG1-OD1 3.32Å; V3237-D3303 VanDerWaalsContact CG2-OD1 3.3Å; V3237-D3303 WeakPolarHBondContact CG2-OD1 3.3Å; K3299-D3303 PolarHBondContact O-N 3.04Å; R3300-D3303 WeakPolarHBondContact CA-OD2 3.41Å; R3300-D3303 PolarHBondContact O-N 3.21Å; D3303-L3305 VanDerWaalsContact C-N 3.31Å; D3303-L3305 PolarHBondContact O-N 3.08Å; D3303-C3306 WeakPolarHBondContact O-CA 3.46Å; D3303-C3306 WeakPolarHBondContact O-CB 3.3Å; D3303-C3306 PolarHBondContact O-N 3.27Å; D3303-C3306 VanDerWaalsContact O-N 3.15Å; D3303-E3307 PolarHBondContact O-N 3.17Å |
| 3304 | D | 78.4 | Confident | 75.6 | Confident | 93.2 Ų | 93.2 | 59.7 Ų | 59.7 | 50% | 0.498 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 177.4 | -72.5 | -21.3 | 0 | 0 | 0 | 111.7 | R3300 C3306 E3307 R3308 | R3300-D3304 WeakPolarHBondContact CG-OD2 3.31Å; R3300-D3304 IonicContact NE-OD2 2.67Å; R3300-D3304 PolarHBondContact NE-OD2 3.09Å; R3300-D3304 VanDerWaalsContact O-CB 3.26Å; R3300-D3304 WeakPolarHBondContact O-CB 3.39Å; R3300-D3304 VanDerWaalsContact O-CG 3.28Å; R3300-D3304 PolarHBondContact O-N 3.17Å; D3304-C3306 VanDerWaalsContact C-N 3.32Å; D3304-E3307 PolarHBondContact O-N 3.49Å; D3304-R3308 WeakPolarHBondContact O-CB 3.39Å; D3304-R3308 VanDerWaalsContact O-CG 3.3Å; D3304-R3308 WeakPolarHBondContact O-CG 3.22Å; D3304-R3308 PolarHBondContact O-N 3.04Å; D3304-R3308 VanDerWaalsContact O-N 3.16Å |
| 3305 | L | 78.9 | Confident | 75.8 | Confident | 2.4 Ų | 2.4 | 63.2 Ų | 63.2 | 1% | 0.013 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 175.5 | -135.3 | 165.3 | 0 | 0 | 0 | 111.4 | L3233 L3258 I3261 I3265 I3271 L3275 L3301 L3302 D3303 R3308 L3309 | L3233-L3305 HydrophobicContact CD2-CB 4.33Å; L3233-L3305 HydrophobicContact CD2-CD2 3.52Å; L3233-L3305 HydrophobicContact CD2-CG 4.48Å; L3258-L3305 HydrophobicContact CD2-CD1 4.25Å; I3261-L3305 HydrophobicContact CD1-CD2 4.36Å; I3261-L3305 HydrophobicContact CG2-CD1 4.34Å; I3261-L3305 HydrophobicContact CG2-CD2 3.98Å; I3265-L3305 HydrophobicContact CD1-CD1 3.48Å; I3265-L3305 HydrophobicContact CD1-CD2 3.67Å; I3265-L3305 HydrophobicContact CD1-CG 3.96Å; I3271-L3305 HydrophobicContact CG2-CD1 4.38Å; I3271-L3305 HydrophobicContact CG2-CD2 3.67Å; I3271-L3305 HydrophobicContact CG2-CG 4.4Å; L3275-L3305 HydrophobicContact CD1-CD1 3.7Å; L3275-L3305 HydrophobicContact CD1-CD2 3.9Å; L3275-L3305 HydrophobicContact CD1-CG 4.49Å; L3275-L3305 HydrophobicContact CD2-CD1 3.73Å; L3275-L3305 VanDerWaalsContact CD2-CD1 3.43Å; L3275-L3305 HydrophobicContact CG-CD1 4.11Å; L3275-L3305 HydrophobicContact CG-CD2 4.47Å; L3301-L3305 HydrophobicContact CD2-CD1 3.75Å; L3301-L3305 VanDerWaalsContact CD2-CD1 3.48Å; L3301-L3305 HydrophobicContact CD2-CG 4.46Å; L3301-L3305 HydrophobicContact CG-CD1 4.08Å; L3301-L3305 VanDerWaalsContact O-CB 3.28Å; L3301-L3305 WeakPolarHBondContact O-CB 3.3Å; L3301-L3305 WeakPolarHBondContact O-CD1 3.28Å; L3301-L3305 WeakPolarHBondContact O-CG 3.29Å; L3301-L3305 PolarHBondContact O-N 3.14Å; L3301-L3305 VanDerWaalsContact O-N 3.12Å; L3302-L3305 HydrophobicContact CD2-CD1 4.47Å; L3302-L3305 PolarHBondContact O-N 2.95Å; D3303-L3305 VanDerWaalsContact C-N 3.31Å; D3303-L3305 PolarHBondContact O-N 3.08Å; L3305-R3308 PolarHBondContact O-N 3.21Å; L3305-L3309 HydrophobicContact CD2-CD1 3.53Å; L3305-L3309 VanDerWaalsContact CD2-CD1 3.47Å; L3305-L3309 HydrophobicContact CD2-CG 3.97Å; L3305-L3309 WeakPolarHBondContact O-CB 3.4Å; L3305-L3309 VanDerWaalsContact O-CG 3.27Å; L3305-L3309 WeakPolarHBondContact O-CG 3.31Å; L3305-L3309 PolarHBondContact O-N 3.1Å |
| 3306 | C | 79.9 | Confident | 75.7 | Confident | 5.2 Ų | 5.2 | 62.6 Ų | 62.6 | 4% | 0.035 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 175.8 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | L3233 E3234 V3237 L3302 D3303 D3304 R3308 L3309 K3310 | L3233-C3306 HydrophobicContact CD2-CB 3.97Å; L3233-C3306 HydrophobicContact CG-CB 4.27Å; E3234-C3306 VanDerWaalsContact CA-SG 3.57Å; E3234-C3306 WeakPolarHBondContact CA-SG 3.34Å; E3234-C3306 VanDerWaalsContact CB-SG 3.55Å; E3234-C3306 PolarHBondContact N-SG 3.2Å; V3237-C3306 HydrophobicContact CG2-CB 4.16Å; L3302-C3306 VanDerWaalsContact O-CB 3.23Å; L3302-C3306 WeakPolarHBondContact O-CB 3.37Å; L3302-C3306 PolarHBondContact O-N 3.26Å; D3303-C3306 WeakPolarHBondContact O-CA 3.46Å; D3303-C3306 WeakPolarHBondContact O-CB 3.3Å; D3303-C3306 PolarHBondContact O-N 3.27Å; D3303-C3306 VanDerWaalsContact O-N 3.15Å; D3304-C3306 VanDerWaalsContact C-N 3.32Å; C3306-R3308 VanDerWaalsContact C-N 3.32Å; C3306-R3308 PolarHBondContact O-N 3.34Å; C3306-L3309 PolarHBondContact O-N 3.19Å; C3306-K3310 VanDerWaalsContact O-CB 3.27Å; C3306-K3310 WeakPolarHBondContact O-CB 3.36Å; C3306-K3310 VanDerWaalsContact O-CG 3.32Å; C3306-K3310 WeakPolarHBondContact O-CG 3.39Å; C3306-K3310 PolarHBondContact O-N 3.27Å; C3306-K3310 WeakPolarHBondContact SG-CE 3.5Å |
| 3307 | E | 78.5 | Confident | 75.5 | Confident | 124.8 Ų | 124.8 | 55.2 Ų | 55.2 | 58% | 0.583 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59.9 | -42.4 | 176.7 | -77.1 | -75.1 | 134.4 | 0 | 0 | 112.2 | D3303 D3304 L3309 K3310 S3311 | D3303-E3307 PolarHBondContact O-N 3.17Å; D3304-E3307 PolarHBondContact O-N 3.49Å; E3307-L3309 PolarHBondContact O-N 3.38Å; E3307-K3310 WeakPolarHBondContact O-CB 3.35Å; E3307-K3310 PolarHBondContact O-N 3.16Å; E3307-K3310 WeakPolarHBondContact OE1-CE 3.24Å; E3307-K3310 IonicContact OE1-NZ 3.28Å; E3307-K3310 PolarHBondContact OE1-NZ 3.18Å; E3307-S3311 PolarHBondContact O-N 3.14Å; E3307-S3311 VanDerWaalsContact O-N 3.12Å |
| 3308 | R | 75.4 | Confident | 75.6 | Confident | 115 Ų | 115 | 52.2 Ų | 52.2 | 43% | 0.434 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 175.4 | -73.2 | 176.5 | -179.8 | -146 | 9.4 | 112.2 | D3268 I3271 D3304 L3305 C3306 K3310 S3311 T3312 | D3268-R3308 IonicContact OD2-CZ 3.37Å; D3268-R3308 VanDerWaalsContact OD2-CZ 3.26Å; D3268-R3308 IonicContact OD2-NH1 3.34Å; D3268-R3308 PolarHBondContact OD2-NH1 3.21Å; D3268-R3308 IonicContact OD2-NH2 3.42Å; D3268-R3308 PolarHBondContact OD2-NH2 3.08Å; I3271-R3308 VanDerWaalsContact CD1-NH2 3.29Å; D3304-R3308 WeakPolarHBondContact O-CB 3.39Å; D3304-R3308 VanDerWaalsContact O-CG 3.3Å; D3304-R3308 WeakPolarHBondContact O-CG 3.22Å; D3304-R3308 PolarHBondContact O-N 3.04Å; D3304-R3308 VanDerWaalsContact O-N 3.16Å; L3305-R3308 PolarHBondContact O-N 3.21Å; C3306-R3308 VanDerWaalsContact C-N 3.32Å; C3306-R3308 PolarHBondContact O-N 3.34Å; R3308-K3310 VanDerWaalsContact C-N 3.31Å; R3308-K3310 PolarHBondContact O-N 3.22Å; R3308-S3311 WeakPolarHBondContact O-CB 3.41Å; R3308-S3311 PolarHBondContact O-N 3.07Å; R3308-S3311 PolarHBondContact O-OG 3.19Å; R3308-T3312 WeakPolarHBondContact O-CB 3.41Å; R3308-T3312 PolarHBondContact O-N 3.21Å; R3308-T3312 VanDerWaalsContact O-N 3.1Å; R3308-T3312 PolarHBondContact O-OG1 3.19Å; R3308-T3312 VanDerWaalsContact O-OG1 3.1Å |
| 3309 | L | 73.5 | Confident | 75.6 | Confident | 6.6 Ų | 6.6 | 54.7 Ų | 54.7 | 4% | 0.035 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.7 | -37 | 177.3 | -77 | 175.9 | 0 | 0 | 0 | 112.4 | M3226 A3230 L3233 I3261 I3265 L3305 C3306 E3307 T3312 S3313 | M3226-L3309 HydrophobicContact CE-CD2 3.37Å; M3226-L3309 VanDerWaalsContact CE-CD2 3.44Å; M3226-L3309 HydrophobicContact SD-CD2 4.36Å; A3230-L3309 HydrophobicContact CB-CB 3.82Å; A3230-L3309 HydrophobicContact CB-CD1 4.5Å; L3233-L3309 HydrophobicContact CD2-CD1 3.81Å; I3261-L3309 HydrophobicContact CD1-CD1 3.63Å; I3261-L3309 HydrophobicContact CG1-CD1 4.05Å; I3261-L3309 HydrophobicContact CG2-CD1 3.92Å; I3261-L3309 HydrophobicContact CG2-CD2 4.19Å; I3261-L3309 HydrophobicContact CG2-CG 4.45Å; I3265-L3309 HydrophobicContact CD1-CD2 4.27Å; I3265-L3309 HydrophobicContact CD1-CG 4.42Å; L3305-L3309 HydrophobicContact CD2-CD1 3.53Å; L3305-L3309 VanDerWaalsContact CD2-CD1 3.47Å; L3305-L3309 HydrophobicContact CD2-CG 3.97Å; L3305-L3309 WeakPolarHBondContact O-CB 3.4Å; L3305-L3309 VanDerWaalsContact O-CG 3.27Å; L3305-L3309 WeakPolarHBondContact O-CG 3.31Å; L3305-L3309 PolarHBondContact O-N 3.1Å; C3306-L3309 PolarHBondContact O-N 3.19Å; E3307-L3309 PolarHBondContact O-N 3.38Å; L3309-T3312 VanDerWaalsContact CA-OG1 3.28Å; L3309-T3312 WeakPolarHBondContact CA-OG1 3.11Å; L3309-T3312 CarbonylContact O-C 3.58Å; L3309-T3312 PolarHBondContact O-N 2.89Å; L3309-T3312 PolarHBondContact O-OG1 2.99Å; L3309-S3313 VanDerWaalsContact O-CB 3.26Å; L3309-S3313 WeakPolarHBondContact O-CB 3.32Å; L3309-S3313 PolarHBondContact O-N 3.39Å |
| 3310 | K | 73.7 | Confident | 75.4 | Confident | 55 Ų | 55 | 53.4 Ų | 53.4 | 24% | 0.239 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.7 | -48 | 174.3 | -136.8 | 172.9 | -177.7 | 176.9 | 0 | 111.3 | E3234 C3306 E3307 R3308 T3312 S3313 I3314 | E3234-K3310 VanDerWaalsContact CD-NZ 3.34Å; E3234-K3310 HydrophobicContact CG-CD 4.37Å; E3234-K3310 VanDerWaalsContact CG-CE 3.42Å; E3234-K3310 WeakPolarHBondContact OE1-CD 3.48Å; E3234-K3310 VanDerWaalsContact OE1-CE 3.29Å; E3234-K3310 WeakPolarHBondContact OE1-CE 3.35Å; E3234-K3310 IonicContact OE1-NZ 2.99Å; E3234-K3310 PolarHBondContact OE1-NZ 3.09Å; E3234-K3310 WeakPolarHBondContact OE2-CE 3.46Å; E3234-K3310 IonicContact OE2-NZ 2.76Å; C3306-K3310 VanDerWaalsContact O-CB 3.27Å; C3306-K3310 WeakPolarHBondContact O-CB 3.36Å; C3306-K3310 VanDerWaalsContact O-CG 3.32Å; C3306-K3310 WeakPolarHBondContact O-CG 3.39Å; C3306-K3310 PolarHBondContact O-N 3.27Å; C3306-K3310 WeakPolarHBondContact SG-CE 3.5Å; E3307-K3310 WeakPolarHBondContact O-CB 3.35Å; E3307-K3310 PolarHBondContact O-N 3.16Å; E3307-K3310 WeakPolarHBondContact OE1-CE 3.24Å; E3307-K3310 IonicContact OE1-NZ 3.28Å; E3307-K3310 PolarHBondContact OE1-NZ 3.18Å; R3308-K3310 VanDerWaalsContact C-N 3.31Å; R3308-K3310 PolarHBondContact O-N 3.22Å; K3310-T3312 VanDerWaalsContact C-N 3.29Å; K3310-T3312 PolarHBondContact O-N 3.14Å; K3310-S3313 WeakPolarHBondContact O-CB 3.21Å; K3310-S3313 PolarHBondContact O-N 3.22Å; K3310-I3314 HydrophobicContact CG-CD1 4.24Å; K3310-I3314 VanDerWaalsContact O-CG1 3.3Å; K3310-I3314 WeakPolarHBondContact O-CG1 3.24Å; K3310-I3314 PolarHBondContact O-N 3.09Å |
| 3311 | S | 73.4 | Confident | 75.1 | Confident | 70.2 Ų | 70.2 | 45.9 Ų | 45.9 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.6 | -43.3 | 175.2 | 143.1 | 0 | 0 | 0 | 0 | 112.3 | E3307 R3308 I3314 T3315 | E3307-S3311 PolarHBondContact O-N 3.14Å; E3307-S3311 VanDerWaalsContact O-N 3.12Å; R3308-S3311 WeakPolarHBondContact O-CB 3.41Å; R3308-S3311 PolarHBondContact O-N 3.07Å; R3308-S3311 PolarHBondContact O-OG 3.19Å; S3311-I3314 PolarHBondContact O-N 2.78Å; S3311-T3315 WeakPolarHBondContact O-CB 3.4Å; S3311-T3315 PolarHBondContact O-N 3.01Å; S3311-T3315 VanDerWaalsContact O-N 3.13Å; S3311-T3315 PolarHBondContact O-OG1 3.34Å |
| 3312 | T | 71.8 | Confident | 75 | Confident | 65.6 Ų | 65.6 | 47.1 Ų | 47.1 | 40% | 0.402 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 177.3 | -38.2 | 0 | 0 | 0 | 0 | 111.7 | R3308 L3309 K3310 T3315 L3316 | R3308-T3312 WeakPolarHBondContact O-CB 3.41Å; R3308-T3312 PolarHBondContact O-N 3.21Å; R3308-T3312 VanDerWaalsContact O-N 3.1Å; R3308-T3312 PolarHBondContact O-OG1 3.19Å; R3308-T3312 VanDerWaalsContact O-OG1 3.1Å; L3309-T3312 VanDerWaalsContact CA-OG1 3.28Å; L3309-T3312 WeakPolarHBondContact CA-OG1 3.11Å; L3309-T3312 CarbonylContact O-C 3.58Å; L3309-T3312 PolarHBondContact O-N 2.89Å; L3309-T3312 PolarHBondContact O-OG1 2.99Å; K3310-T3312 VanDerWaalsContact C-N 3.29Å; K3310-T3312 PolarHBondContact O-N 3.14Å; T3312-T3315 WeakPolarHBondContact O-CB 3.26Å; T3312-T3315 PolarHBondContact O-N 3.25Å; T3312-L3316 HydrophobicContact CG2-CD1 4.1Å; T3312-L3316 HydrophobicContact CG2-CG 4.39Å; T3312-L3316 WeakPolarHBondContact O-CB 3.43Å; T3312-L3316 VanDerWaalsContact O-CG 3.3Å; T3312-L3316 WeakPolarHBondContact O-CG 3.27Å; T3312-L3316 PolarHBondContact O-N 3.05Å |
| 3313 | S | 71 | Confident | 74.8 | Confident | 6.4 Ų | 6.4 | 50.9 Ų | 50.9 | 5% | 0.045 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60 | -48.4 | 176 | 174.7 | 0 | 0 | 0 | 0 | 111.7 | L3309 K3310 T3315 L3316 Q3317 | L3309-S3313 VanDerWaalsContact O-CB 3.26Å; L3309-S3313 WeakPolarHBondContact O-CB 3.32Å; L3309-S3313 PolarHBondContact O-N 3.39Å; K3310-S3313 WeakPolarHBondContact O-CB 3.21Å; K3310-S3313 PolarHBondContact O-N 3.22Å; S3313-T3315 VanDerWaalsContact C-N 3.32Å; S3313-T3315 PolarHBondContact O-N 3.14Å; S3313-L3316 PolarHBondContact O-N 3.07Å; S3313-Q3317 WeakPolarHBondContact O-CB 3.48Å; S3313-Q3317 VanDerWaalsContact O-CG 3.28Å; S3313-Q3317 WeakPolarHBondContact O-CG 3.44Å; S3313-Q3317 PolarHBondContact O-N 3.02Å; S3313-Q3317 PolarHBondContact OG-NE2 3.4Å; S3313-Q3317 VanDerWaalsContact OG-NE2 3.08Å |
| 3314 | I | 71.8 | Confident | 74.7 | Confident | 62.6 Ų | 62.6 | 48 Ų | 48 | 32% | 0.321 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 177.2 | -67 | 165.3 | 0 | 0 | 0 | 110.5 | K3310 S3311 L3316 Q3317 V3318 | K3310-I3314 HydrophobicContact CG-CD1 4.24Å; K3310-I3314 VanDerWaalsContact O-CG1 3.3Å; K3310-I3314 WeakPolarHBondContact O-CG1 3.24Å; K3310-I3314 PolarHBondContact O-N 3.09Å; S3311-I3314 PolarHBondContact O-N 2.78Å; I3314-L3316 VanDerWaalsContact C-N 3.32Å; I3314-L3316 PolarHBondContact O-N 3.4Å; I3314-Q3317 PolarHBondContact O-N 3.13Å; I3314-V3318 WeakPolarHBondContact O-CG2 3.37Å; I3314-V3318 PolarHBondContact O-N 3.07Å; I3314-V3318 VanDerWaalsContact O-N 3.12Å |
| 3315 | T | 73.8 | Confident | 74.6 | Confident | 83.4 Ų | 83.4 | 44.9 Ų | 44.9 | 51% | 0.512 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.4 | -43.6 | 178.2 | -52.2 | 0 | 0 | 0 | 0 | 111.4 | S3311 T3312 S3313 V3318 C3319 | S3311-T3315 WeakPolarHBondContact O-CB 3.4Å; S3311-T3315 PolarHBondContact O-N 3.01Å; S3311-T3315 VanDerWaalsContact O-N 3.13Å; S3311-T3315 PolarHBondContact O-OG1 3.34Å; T3312-T3315 WeakPolarHBondContact O-CB 3.26Å; T3312-T3315 PolarHBondContact O-N 3.25Å; S3313-T3315 VanDerWaalsContact C-N 3.32Å; S3313-T3315 PolarHBondContact O-N 3.14Å; T3315-V3318 PolarHBondContact O-N 3.17Å; T3315-C3319 PolarHBondContact O-N 3.1Å; T3315-C3319 VanDerWaalsContact O-N 3.11Å; T3315-C3319 PolarHBondContact O-SG 2.98Å; T3315-C3319 VanDerWaalsContact O-SG 3.36Å |
| 3316 | L | 72.5 | Confident | 74.6 | Confident | 35.6 Ų | 35.6 | 53.2 Ų | 53.2 | 19% | 0.186 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 176.8 | -79.1 | 167.7 | 0 | 0 | 0 | 112.4 | K3223 M3226 I3227 T3312 S3313 I3314 V3318 C3319 I3320 | K3223-L3316 HydrophobicContact CB-CD1 4.4Å; K3223-L3316 HydrophobicContact CB-CD2 4.13Å; K3223-L3316 HydrophobicContact CD-CD2 4.04Å; K3223-L3316 HydrophobicContact CG-CD2 3.99Å; M3226-L3316 HydrophobicContact CB-CD1 4.21Å; I3227-L3316 HydrophobicContact CD1-CB 4.22Å; I3227-L3316 HydrophobicContact CG1-CB 4.33Å; T3312-L3316 HydrophobicContact CG2-CD1 4.1Å; T3312-L3316 HydrophobicContact CG2-CG 4.39Å; T3312-L3316 WeakPolarHBondContact O-CB 3.43Å; T3312-L3316 VanDerWaalsContact O-CG 3.3Å; T3312-L3316 WeakPolarHBondContact O-CG 3.27Å; T3312-L3316 PolarHBondContact O-N 3.05Å; S3313-L3316 PolarHBondContact O-N 3.07Å; I3314-L3316 VanDerWaalsContact C-N 3.32Å; I3314-L3316 PolarHBondContact O-N 3.4Å; L3316-V3318 PolarHBondContact O-N 3.38Å; L3316-C3319 PolarHBondContact O-N 3.08Å; L3316-I3320 HydrophobicContact CD2-CD1 4.48Å; L3316-I3320 WeakPolarHBondContact O-CB 2.93Å; L3316-I3320 WeakPolarHBondContact O-CD1 3.45Å; L3316-I3320 VanDerWaalsContact O-CG1 3.26Å; L3316-I3320 WeakPolarHBondContact O-CG1 3.31Å; L3316-I3320 PolarHBondContact O-N 3.2Å |
| 3317 | Q | 71 | Confident | 74.5 | Confident | 10.6 Ų | 10.6 | 53.3 Ų | 53.3 | 5% | 0.05 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.1 | -47.2 | 176.9 | -72.3 | 167.7 | 13.7 | 0 | 0 | 111.5 | I3227 S3313 I3314 C3319 I3320 S3321 T3352 N3356 E3359 L3401 | I3227-Q3317 HydrophobicContact CD1-CG 3.77Å; I3227-Q3317 HydrophobicContact CG1-CG 4.24Å; I3227-Q3317 HydrophobicContact CG2-CG 4.22Å; S3313-Q3317 WeakPolarHBondContact O-CB 3.48Å; S3313-Q3317 VanDerWaalsContact O-CG 3.28Å; S3313-Q3317 WeakPolarHBondContact O-CG 3.44Å; S3313-Q3317 PolarHBondContact O-N 3.02Å; S3313-Q3317 PolarHBondContact OG-NE2 3.4Å; S3313-Q3317 VanDerWaalsContact OG-NE2 3.08Å; I3314-Q3317 PolarHBondContact O-N 3.13Å; Q3317-C3319 PolarHBondContact O-N 3.08Å; Q3317-I3320 PolarHBondContact O-N 3.01Å; Q3317-S3321 WeakPolarHBondContact O-CB 3.37Å; Q3317-S3321 PolarHBondContact O-N 3.2Å; Q3317-S3321 PolarHBondContact O-OG 3.1Å; Q3317-T3352 HydrophobicContact CG-CG2 4.31Å; Q3317-N3356 PolarHBondContact NE2-ND2 3.16Å; Q3317-E3359 PolarHBondContact NE2-OE2 3.11Å; Q3317-E3359 VanDerWaalsContact NE2-OE2 3.08Å; Q3317-E3359 PolarHBondContact OE1-OE2 2.89Å; Q3317-L3401 HydrophobicContact CB-CD2 4.42Å |
| 3318 | V | 74.4 | Confident | 74.6 | Confident | 56 Ų | 56 | 47.5 Ų | 47.5 | 34% | 0.339 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.2 | -41.3 | 177.9 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | I3314 T3315 L3316 S3321 T3322 | I3314-V3318 WeakPolarHBondContact O-CG2 3.37Å; I3314-V3318 PolarHBondContact O-N 3.07Å; I3314-V3318 VanDerWaalsContact O-N 3.12Å; T3315-V3318 PolarHBondContact O-N 3.17Å; L3316-V3318 PolarHBondContact O-N 3.38Å; V3318-S3321 WeakPolarHBondContact CA-OG 3.29Å; V3318-S3321 PolarHBondContact O-N 2.9Å; V3318-S3321 PolarHBondContact O-OG 3.29Å; V3318-T3322 HydrophobicContact CG1-CG2 4.35Å; V3318-T3322 WeakPolarHBondContact O-CB 3.35Å; V3318-T3322 VanDerWaalsContact O-CG2 3.27Å; V3318-T3322 WeakPolarHBondContact O-CG2 3.24Å; V3318-T3322 PolarHBondContact O-N 3.09Å; V3318-T3322 VanDerWaalsContact O-N 3.11Å; V3318-T3322 PolarHBondContact O-OG1 3.06Å |
| 3319 | C | 74.1 | Confident | 74.7 | Confident | 65.2 Ų | 65.2 | 45.5 Ų | 45.5 | 44% | 0.441 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 175.4 | -71.3 | 0 | 0 | 0 | 0 | 112 | T3315 L3316 Q3317 S3321 T3322 E3323 | T3315-C3319 PolarHBondContact O-N 3.1Å; T3315-C3319 VanDerWaalsContact O-N 3.11Å; T3315-C3319 PolarHBondContact O-SG 2.98Å; T3315-C3319 VanDerWaalsContact O-SG 3.36Å; L3316-C3319 PolarHBondContact O-N 3.08Å; Q3317-C3319 PolarHBondContact O-N 3.08Å; C3319-S3321 VanDerWaalsContact C-N 3.33Å; C3319-S3321 PolarHBondContact O-N 2.93Å; C3319-T3322 PolarHBondContact O-N 3.32Å; C3319-T3322 VanDerWaalsContact O-N 3.16Å; C3319-T3322 PolarHBondContact O-OG1 3.11Å; C3319-E3323 WeakPolarHBondContact O-CB 3.26Å; C3319-E3323 WeakPolarHBondContact O-CG 3.39Å; C3319-E3323 PolarHBondContact O-N 3.2Å; C3319-E3323 VanDerWaalsContact O-N 3.11Å |
| 3320 | I | 72.8 | Confident | 74.8 | Confident | 10.2 Ų | 10.2 | 48.7 Ų | 48.7 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 180 | -65.1 | 163.7 | 0 | 0 | 0 | 110.5 | K3223 I3227 L3316 Q3317 T3322 E3323 G3324 R3348 S3349 T3352 | K3223-I3320 HydrophobicContact CB-CD1 4.28Å; K3223-I3320 HydrophobicContact CD-CG1 4.4Å; I3227-I3320 HydrophobicContact CD1-CD1 4.13Å; L3316-I3320 HydrophobicContact CD2-CD1 4.48Å; L3316-I3320 WeakPolarHBondContact O-CB 2.93Å; L3316-I3320 WeakPolarHBondContact O-CD1 3.45Å; L3316-I3320 VanDerWaalsContact O-CG1 3.26Å; L3316-I3320 WeakPolarHBondContact O-CG1 3.31Å; L3316-I3320 PolarHBondContact O-N 3.2Å; Q3317-I3320 PolarHBondContact O-N 3.01Å; I3320-T3322 VanDerWaalsContact C-N 3.31Å; I3320-T3322 PolarHBondContact O-N 3.16Å; I3320-E3323 PolarHBondContact O-N 3.29Å; I3320-E3323 VanDerWaalsContact O-N 3.13Å; I3320-G3324 PolarHBondContact O-N 3.08Å; I3320-G3324 VanDerWaalsContact O-N 3.08Å; I3320-R3348 HydrophobicContact CG2-CB 4.23Å; I3320-S3349 WeakPolarHBondContact CG2-OG 3.27Å; I3320-S3349 PolarHBondContact O-OG 3.04Å; I3320-T3352 HydrophobicContact CD1-CG2 4.41Å; I3320-T3352 VanDerWaalsContact CG2-OG1 3.3Å; I3320-T3352 WeakPolarHBondContact CG2-OG1 3.23Å; I3320-T3352 PolarHBondContact O-OG1 2.73Å |
| 3321 | S | 73.5 | Confident | 74.8 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 178.9 | 146 | 0 | 0 | 0 | 0 | 112.9 | Q3317 V3318 C3319 E3323 G3324 S3325 T3352 N3356 L3398 L3401 C3402 | Q3317-S3321 WeakPolarHBondContact O-CB 3.37Å; Q3317-S3321 PolarHBondContact O-N 3.2Å; Q3317-S3321 PolarHBondContact O-OG 3.1Å; V3318-S3321 WeakPolarHBondContact CA-OG 3.29Å; V3318-S3321 PolarHBondContact O-N 2.9Å; V3318-S3321 PolarHBondContact O-OG 3.29Å; C3319-S3321 VanDerWaalsContact C-N 3.33Å; C3319-S3321 PolarHBondContact O-N 2.93Å; S3321-E3323 VanDerWaalsContact C-N 3.3Å; S3321-E3323 PolarHBondContact O-N 2.86Å; S3321-G3324 PolarHBondContact O-N 3.38Å; S3321-G3324 VanDerWaalsContact O-N 3.13Å; S3321-S3325 WeakPolarHBondContact O-CB 3.32Å; S3321-S3325 PolarHBondContact O-N 3.14Å; S3321-S3325 PolarHBondContact O-OG 3.24Å; S3321-T3352 WeakPolarHBondContact CA-OG1 3.2Å; S3321-N3356 WeakPolarHBondContact CB-ND2 3.43Å; S3321-N3356 PolarHBondContact OG-ND2 2.98Å; S3321-L3398 PolarHBondContact OG-O 2.92Å; S3321-L3401 WeakPolarHBondContact OG-CB 3.43Å; S3321-C3402 PolarHBondContact OG-SG 3.28Å |
| 3322 | T | 76.2 | Confident | 74.8 | Confident | 53.4 Ų | 53.4 | 48.5 Ų | 48.5 | 33% | 0.328 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.8 | -32.5 | 178.1 | 53.2 | 0 | 0 | 0 | 0 | 112.7 | V3318 C3319 I3320 S3325 R3326 | V3318-T3322 HydrophobicContact CG1-CG2 4.35Å; V3318-T3322 WeakPolarHBondContact O-CB 3.35Å; V3318-T3322 VanDerWaalsContact O-CG2 3.27Å; V3318-T3322 WeakPolarHBondContact O-CG2 3.24Å; V3318-T3322 PolarHBondContact O-N 3.09Å; V3318-T3322 VanDerWaalsContact O-N 3.11Å; V3318-T3322 PolarHBondContact O-OG1 3.06Å; C3319-T3322 PolarHBondContact O-N 3.32Å; C3319-T3322 VanDerWaalsContact O-N 3.16Å; C3319-T3322 PolarHBondContact O-OG1 3.11Å; I3320-T3322 VanDerWaalsContact C-N 3.31Å; I3320-T3322 PolarHBondContact O-N 3.16Å; T3322-S3325 WeakPolarHBondContact CA-OG 3.36Å; T3322-S3325 PolarHBondContact O-OG 3.21Å; T3322-S3325 VanDerWaalsContact O-OG 3.09Å; T3322-R3326 WeakPolarHBondContact O-CB 3.13Å; T3322-R3326 WeakPolarHBondContact O-CD 3.33Å; T3322-R3326 VanDerWaalsContact O-CG 3.28Å; T3322-R3326 WeakPolarHBondContact O-CG 3.31Å; T3322-R3326 PolarHBondContact O-N 3.24Å; T3322-R3326 VanDerWaalsContact O-N 3.16Å |
| 3323 | E | 76.7 | Confident | 74.8 | Confident | 79.6 Ų | 79.6 | 51.1 Ų | 51.1 | 37% | 0.372 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68 | -44.8 | 172.7 | -151.1 | -176.2 | 150.9 | 0 | 0 | 111.4 | K3223 C3319 I3320 S3321 S3327 S3345 R3348 | K3223-E3323 IonicContact NZ-OE1 3.78Å; K3223-E3323 PolarHBondContact NZ-OE1 3.28Å; K3223-E3323 IonicContact NZ-OE2 3.99Å; K3223-E3323 PolarHBondContact NZ-OE2 2.85Å; C3319-E3323 WeakPolarHBondContact O-CB 3.26Å; C3319-E3323 WeakPolarHBondContact O-CG 3.39Å; C3319-E3323 PolarHBondContact O-N 3.2Å; C3319-E3323 VanDerWaalsContact O-N 3.11Å; I3320-E3323 PolarHBondContact O-N 3.29Å; I3320-E3323 VanDerWaalsContact O-N 3.13Å; S3321-E3323 VanDerWaalsContact C-N 3.3Å; S3321-E3323 PolarHBondContact O-N 2.86Å; E3323-S3327 WeakPolarHBondContact O-CB 3.38Å; E3323-S3327 PolarHBondContact O-N 3.17Å; E3323-S3327 VanDerWaalsContact O-N 3.1Å; E3323-S3327 PolarHBondContact O-OG 2.91Å; E3323-S3345 WeakPolarHBondContact OE1-CB 3.45Å; E3323-S3345 PolarHBondContact OE1-OG 3.18Å; E3323-R3348 IonicContact OE1-NH1 2.64Å |
| 3324 | G | 76.6 | Confident | 74.3 | Confident | 0.2 Ų | 0.2 | 56.7 Ų | 56.7 | 0% | 0.002 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.6 | -40.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I3320 S3321 R3326 S3327 L3328 R3348 S3349 T3352 | I3320-G3324 PolarHBondContact O-N 3.08Å; I3320-G3324 VanDerWaalsContact O-N 3.08Å; S3321-G3324 PolarHBondContact O-N 3.38Å; S3321-G3324 VanDerWaalsContact O-N 3.13Å; G3324-R3326 PolarHBondContact O-N 3.12Å; G3324-S3327 PolarHBondContact O-N 3.32Å; G3324-L3328 VanDerWaalsContact O-CB 3.25Å; G3324-L3328 WeakPolarHBondContact O-CB 3.22Å; G3324-L3328 PolarHBondContact O-N 3.39Å; G3324-R3348 WeakPolarHBondContact CA-O 3.16Å; G3324-S3349 VanDerWaalsContact CA-OG 3.24Å; G3324-S3349 WeakPolarHBondContact CA-OG 3.44Å; G3324-S3349 PolarHBondContact N-OG 3.48Å; G3324-S3349 PolarHBondContact O-OG 2.85Å; G3324-T3352 WeakPolarHBondContact CA-OG1 3.46Å; G3324-T3352 PolarHBondContact N-OG1 3.32Å |
| 3325 | S | 77.6 | Confident | 73.5 | Confident | 29.8 Ų | 29.8 | 59.4 Ų | 59.4 | 21% | 0.208 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.3 | -45.3 | 177.9 | 105.2 | 0 | 0 | 0 | 0 | 111.4 | S3321 T3322 S3327 L3328 D3329 | S3321-S3325 WeakPolarHBondContact O-CB 3.32Å; S3321-S3325 PolarHBondContact O-N 3.14Å; S3321-S3325 PolarHBondContact O-OG 3.24Å; T3322-S3325 WeakPolarHBondContact CA-OG 3.36Å; T3322-S3325 PolarHBondContact O-OG 3.21Å; T3322-S3325 VanDerWaalsContact O-OG 3.09Å; S3325-S3327 VanDerWaalsContact C-N 3.3Å; S3325-S3327 PolarHBondContact O-N 3.08Å; S3325-L3328 WeakPolarHBondContact O-CB 3.39Å; S3325-L3328 PolarHBondContact O-N 3.19Å; S3325-D3329 VanDerWaalsContact O-CG 3.31Å; S3325-D3329 PolarHBondContact O-N 3.08Å |
| 3326 | R | 79.1 | Confident | 72.4 | Confident | 176.4 Ų | 176.4 | 64.6 Ų | 64.6 | 67% | 0.666 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -59.3 | -43.3 | 173.6 | -73.9 | 174.8 | -178.4 | 170.7 | 2.4 | 111.8 | T3322 G3324 L3328 D3329 M3330 | T3322-R3326 WeakPolarHBondContact O-CB 3.13Å; T3322-R3326 WeakPolarHBondContact O-CD 3.33Å; T3322-R3326 VanDerWaalsContact O-CG 3.28Å; T3322-R3326 WeakPolarHBondContact O-CG 3.31Å; T3322-R3326 PolarHBondContact O-N 3.24Å; T3322-R3326 VanDerWaalsContact O-N 3.16Å; G3324-R3326 PolarHBondContact O-N 3.12Å; R3326-L3328 PolarHBondContact O-N 2.87Å; R3326-D3329 PolarHBondContact O-N 3.03Å; R3326-M3330 VanDerWaalsContact O-CG 3.3Å; R3326-M3330 WeakPolarHBondContact O-CG 3.18Å; R3326-M3330 PolarHBondContact O-N 3.03Å |
| 3327 | S | 78 | Confident | 71.3 | Confident | 5.8 Ų | 5.8 | 65.1 Ų | 65.1 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 178.4 | -64.9 | 0 | 0 | 0 | 0 | 112.3 | E3323 G3324 S3325 D3329 M3330 I3331 H3342 S3345 | E3323-S3327 WeakPolarHBondContact O-CB 3.38Å; E3323-S3327 PolarHBondContact O-N 3.17Å; E3323-S3327 VanDerWaalsContact O-N 3.1Å; E3323-S3327 PolarHBondContact O-OG 2.91Å; G3324-S3327 PolarHBondContact O-N 3.32Å; S3325-S3327 VanDerWaalsContact C-N 3.3Å; S3325-S3327 PolarHBondContact O-N 3.08Å; S3327-D3329 VanDerWaalsContact C-N 3.3Å; S3327-D3329 PolarHBondContact O-N 3.08Å; S3327-M3330 PolarHBondContact O-N 3.05Å; S3327-I3331 WeakPolarHBondContact O-CD1 3.31Å; S3327-I3331 VanDerWaalsContact O-CG1 3.26Å; S3327-I3331 WeakPolarHBondContact O-CG1 3.35Å; S3327-I3331 PolarHBondContact O-N 3.25Å; S3327-H3342 WeakPolarHBondContact CB-O 3.41Å; S3327-H3342 PolarHBondContact OG-ND1 3.2Å; S3327-S3345 VanDerWaalsContact CB-O 3.31Å; S3327-S3345 WeakPolarHBondContact CB-O 3.29Å; S3327-S3345 WeakPolarHBondContact OG-CA 3.43Å; S3327-S3345 WeakPolarHBondContact OG-CB 3.4Å; S3327-S3345 PolarHBondContact OG-OG 3.3Å |
| 3328 | L | 79.3 | Confident | 70.3 | Confident | 3.4 Ų | 3.4 | 68.4 Ų | 68.4 | 2% | 0.018 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 173.8 | -176.6 | 73.2 | 0 | 0 | 0 | 111.4 | G3324 S3325 R3326 M3330 I3331 K3332 V3346 S3349 Q3369 Y3372 I3373 L3385 A3391 I3394 L3398 | G3324-L3328 VanDerWaalsContact O-CB 3.25Å; G3324-L3328 WeakPolarHBondContact O-CB 3.22Å; G3324-L3328 PolarHBondContact O-N 3.39Å; S3325-L3328 WeakPolarHBondContact O-CB 3.39Å; S3325-L3328 PolarHBondContact O-N 3.19Å; R3326-L3328 PolarHBondContact O-N 2.87Å; L3328-M3330 VanDerWaalsContact C-N 3.33Å; L3328-I3331 PolarHBondContact O-N 3.17Å; L3328-K3332 HydrophobicContact CG-CD 4.49Å; L3328-K3332 WeakPolarHBondContact O-CG 3.41Å; L3328-K3332 PolarHBondContact O-N 3.21Å; L3328-V3346 HydrophobicContact CB-CG2 4.12Å; L3328-S3349 PolarHBondContact N-OG 2.77Å; L3328-Q3369 HydrophobicContact CD2-CG 3.94Å; L3328-Y3372 HydrophobicContact CD1-CD1 3.72Å; L3328-Y3372 HydrophobicContact CD1-CE1 4.23Å; L3328-I3373 HydrophobicContact CD1-CD1 4.31Å; L3328-I3373 HydrophobicContact CD1-CG1 4Å; L3328-L3385 HydrophobicContact CD1-CD2 4.37Å; L3328-A3391 HydrophobicContact CD1-CB 4.33Å; L3328-I3394 HydrophobicContact CD1-CB 4.42Å; L3328-I3394 HydrophobicContact CD1-CG2 4.08Å; L3328-I3394 HydrophobicContact CD2-CB 4.29Å; L3328-I3394 HydrophobicContact CD2-CG2 4Å; L3328-L3398 HydrophobicContact CB-CD1 4.42Å; L3328-L3398 HydrophobicContact CD2-CD1 4.2Å |
| 3329 | D | 77.7 | Confident | 69.6 | Low | 74 Ų | 74 | 70.8 Ų | 70.8 | 40% | 0.396 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69.5 | -33 | 178 | -67.1 | -25.4 | 0 | 0 | 0 | 112.1 | S3325 R3326 S3327 I3331 K3332 N3333 | S3325-D3329 VanDerWaalsContact O-CG 3.31Å; S3325-D3329 PolarHBondContact O-N 3.08Å; R3326-D3329 PolarHBondContact O-N 3.03Å; S3327-D3329 VanDerWaalsContact C-N 3.3Å; S3327-D3329 PolarHBondContact O-N 3.08Å; D3329-I3331 VanDerWaalsContact C-N 3.34Å; D3329-K3332 PolarHBondContact O-N 3Å; D3329-K3332 IonicContact OD1-NZ 3.17Å; D3329-K3332 PolarHBondContact OD1-NZ 3Å; D3329-N3333 WeakPolarHBondContact O-CB 3.41Å; D3329-N3333 VanDerWaalsContact O-CG 3.24Å; D3329-N3333 PolarHBondContact O-N 3.27Å; D3329-N3333 VanDerWaalsContact O-N 3.08Å; D3329-N3333 PolarHBondContact O-ND2 2.94Å |
| 3330 | M | 75.6 | Confident | 69 | Low | 74 Ų | 74 | 71.4 Ų | 71.4 | 37% | 0.365 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 171.3 | -72.3 | 178.2 | 86.2 | 0 | 0 | 111.9 | R3326 S3327 L3328 K3332 N3333 D3334 I3335 C3337 H3342 | R3326-M3330 VanDerWaalsContact O-CG 3.3Å; R3326-M3330 WeakPolarHBondContact O-CG 3.18Å; R3326-M3330 PolarHBondContact O-N 3.03Å; S3327-M3330 PolarHBondContact O-N 3.05Å; L3328-M3330 VanDerWaalsContact C-N 3.33Å; M3330-K3332 VanDerWaalsContact C-N 3.3Å; M3330-K3332 PolarHBondContact O-N 3.08Å; M3330-N3333 PolarHBondContact O-N 3.25Å; M3330-N3333 VanDerWaalsContact O-N 3.09Å; M3330-D3334 PolarHBondContact O-N 3.27Å; M3330-D3334 VanDerWaalsContact O-N 3.13Å; M3330-I3335 HydrophobicContact CB-CD1 4.41Å; M3330-I3335 HydrophobicContact CE-CG2 4.39Å; M3330-I3335 HydrophobicContact CG-CD1 4.24Å; M3330-I3335 PolarHBondContact O-N 3.5Å; M3330-C3337 HydrophobicContact CE-CB 4.03Å; M3330-H3342 WeakPolarHBondContact CE-NE2 3.32Å; M3330-H3342 PolarHBondContact SD-CE1 3.44Å; M3330-H3342 VanDerWaalsContact SD-CE1 3.56Å |
| 3331 | I | 73.8 | Confident | 68.7 | Low | 22.6 Ų | 22.6 | 77.1 Ų | 77.1 | 12% | 0.116 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 176.5 | -66.8 | 162.4 | 0 | 0 | 0 | 111.2 | S3327 L3328 D3329 N3333 D3334 H3342 V3346 Y3372 N3376 L3385 | S3327-I3331 WeakPolarHBondContact O-CD1 3.31Å; S3327-I3331 VanDerWaalsContact O-CG1 3.26Å; S3327-I3331 WeakPolarHBondContact O-CG1 3.35Å; S3327-I3331 PolarHBondContact O-N 3.25Å; L3328-I3331 PolarHBondContact O-N 3.17Å; D3329-I3331 VanDerWaalsContact C-N 3.34Å; I3331-N3333 VanDerWaalsContact C-N 3.32Å; I3331-N3333 PolarHBondContact O-N 3.11Å; I3331-N3333 VanDerWaalsContact O-N 3.14Å; I3331-D3334 PolarHBondContact O-N 3.33Å; I3331-H3342 HydrophobicContact CD1-CB 4.02Å; I3331-H3342 HydrophobicContact CG1-CB 4.13Å; I3331-V3346 HydrophobicContact CD1-CB 4.36Å; I3331-V3346 HydrophobicContact CD1-CG2 4.09Å; I3331-V3346 HydrophobicContact CG1-CG2 4.28Å; I3331-Y3372 VanDerWaalsContact C-OH 3.29Å; I3331-Y3372 HydrophobicContact CB-CE1 4.19Å; I3331-Y3372 HydrophobicContact CG2-CE1 3.6Å; I3331-Y3372 PolarHBondContact O-OH 3.07Å; I3331-Y3372 VanDerWaalsContact O-OH 3.07Å; I3331-N3376 HydrophobicContact CG2-CB 3.96Å; I3331-N3376 VanDerWaalsContact CG2-ND2 3.33Å; I3331-N3376 WeakPolarHBondContact CG2-ND2 3.39Å; I3331-L3385 HydrophobicContact CD1-CD1 3.73Å; I3331-L3385 HydrophobicContact CG2-CB 4Å; I3331-L3385 HydrophobicContact CG2-CD1 4.32Å |
| 3332 | K | 73.9 | Confident | 68.6 | Low | 98 Ų | 98 | 78.8 Ų | 78.8 | 43% | 0.426 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.9 | -26.7 | 176.5 | -74.9 | 174 | -173.8 | 163.4 | 0 | 114.2 | L3328 D3329 M3330 D3334 Y3372 A3391 | L3328-K3332 HydrophobicContact CG-CD 4.49Å; L3328-K3332 WeakPolarHBondContact O-CG 3.41Å; L3328-K3332 PolarHBondContact O-N 3.21Å; D3329-K3332 PolarHBondContact O-N 3Å; D3329-K3332 IonicContact OD1-NZ 3.17Å; D3329-K3332 PolarHBondContact OD1-NZ 3Å; M3330-K3332 VanDerWaalsContact C-N 3.3Å; M3330-K3332 PolarHBondContact O-N 3.08Å; K3332-D3334 VanDerWaalsContact C-N 3.34Å; K3332-Y3372 WeakPolarHBondContact CA-OH 3.19Å; K3332-Y3372 HydrophobicContact CG-CE1 3.79Å; K3332-Y3372 HydrophobicContact CG-CE2 4.42Å; K3332-Y3372 PolarHBondContact N-OH 3.5Å; K3332-A3391 HydrophobicContact CD-CB 4.45Å; K3332-A3391 HydrophobicContact CG-CB 4.34Å; K3332-A3391 PolarHBondContact NZ-O 2.92Å |
| 3333 | N | 70.6 | Confident | 68.3 | Low | 120 Ų | 120 | 78.2 Ų | 78.2 | 64% | 0.642 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 0.7 | -170.4 | -70.9 | -36.3 | 0 | 0 | 0 | 113.5 | D3329 M3330 I3331 I3335 | D3329-N3333 WeakPolarHBondContact O-CB 3.41Å; D3329-N3333 VanDerWaalsContact O-CG 3.24Å; D3329-N3333 PolarHBondContact O-N 3.27Å; D3329-N3333 VanDerWaalsContact O-N 3.08Å; D3329-N3333 PolarHBondContact O-ND2 2.94Å; M3330-N3333 PolarHBondContact O-N 3.25Å; M3330-N3333 VanDerWaalsContact O-N 3.09Å; I3331-N3333 VanDerWaalsContact C-N 3.32Å; I3331-N3333 PolarHBondContact O-N 3.11Å; I3331-N3333 VanDerWaalsContact O-N 3.14Å; N3333-I3335 VanDerWaalsContact C-N 3.33Å; N3333-I3335 HydrophobicContact CB-CD1 4.27Å; N3333-I3335 HydrophobicContact CB-CG1 4.01Å; N3333-I3335 PolarHBondContact O-N 3Å; N3333-I3335 VanDerWaalsContact O-N 3.09Å |
| 3334 | D | 60.9 | Low | 68.2 | Low | 124.8 Ų | 124.8 | 77.8 Ų | 77.8 | 67% | 0.667 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 26.3 | 76.7 | -177.4 | -77.3 | -27.5 | 0 | 0 | 0 | 114.4 | M3330 I3331 K3332 E3336 | M3330-D3334 PolarHBondContact O-N 3.27Å; M3330-D3334 VanDerWaalsContact O-N 3.13Å; I3331-D3334 PolarHBondContact O-N 3.33Å; K3332-D3334 VanDerWaalsContact C-N 3.34Å; D3334-E3336 PolarHBondContact O-N 2.99Å |
| 3335 | I | 54.9 | Low | 68.1 | Low | 119.4 Ų | 119.4 | 78.3 Ų | 78.3 | 61% | 0.612 | 40% | 0.397 | S | S | * | . | trans | -81.6 | 81.3 | 177.5 | -58.2 | 176.4 | 0 | 0 | 0 | 110 | M3330 N3333 C3337 | M3330-I3335 HydrophobicContact CB-CD1 4.41Å; M3330-I3335 HydrophobicContact CE-CG2 4.39Å; M3330-I3335 HydrophobicContact CG-CD1 4.24Å; M3330-I3335 PolarHBondContact O-N 3.5Å; N3333-I3335 VanDerWaalsContact C-N 3.33Å; N3333-I3335 HydrophobicContact CB-CD1 4.27Å; N3333-I3335 HydrophobicContact CB-CG1 4.01Å; N3333-I3335 PolarHBondContact O-N 3Å; N3333-I3335 VanDerWaalsContact O-N 3.09Å; I3335-C3337 HydrophobicContact CG2-CB 4.33Å; I3335-C3337 PolarHBondContact O-N 3.32Å; I3335-C3337 PolarHBondContact O-SG 3.08Å | ||
| 3336 | E | 52.1 | Low | 68.1 | Low | 191 Ų | 191 | 76.9 Ų | 76.9 | 89% | 0.893 | 39% | 0.387 | S | S | * | . | trans | -84.4 | 49.5 | -178 | -65.4 | -174.3 | 158.6 | 0 | 0 | 113.6 | D3334 S3338 | D3334-E3336 PolarHBondContact O-N 2.99Å; E3336-S3338 PolarHBondContact O-N 3.08Å; E3336-S3338 VanDerWaalsContact O-N 3.13Å | ||
| 3337 | C | 48.4 | Very low | 67.9 | Low | 47.2 Ų | 47.2 | 69.1 Ų | 69.1 | 32% | 0.319 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -91.6 | 118.7 | 177.2 | -78.4 | 0 | 0 | 0 | 0 | 110.9 | M3330 I3335 Q3339 E3341 H3342 Y3382 | M3330-C3337 HydrophobicContact CE-CB 4.03Å; I3335-C3337 HydrophobicContact CG2-CB 4.33Å; I3335-C3337 PolarHBondContact O-N 3.32Å; I3335-C3337 PolarHBondContact O-SG 3.08Å; C3337-Q3339 WeakPolarHBondContact O-CA 3.42Å; C3337-Q3339 WeakPolarHBondContact O-CG 3.22Å; C3337-Q3339 PolarHBondContact O-N 2.95Å; C3337-E3341 HydrophobicContact CB-CB 4Å; C3337-H3342 HydrophobicContact CB-CB 4.49Å; C3337-H3342 WeakPolarHBondContact CB-NE2 2.98Å; C3337-Y3382 HydrophobicContact CB-CD1 4.27Å; C3337-Y3382 HydrophobicContact CB-CD2 3.73Å; C3337-Y3382 HydrophobicContact CB-CE1 4.18Å; C3337-Y3382 HydrophobicContact CB-CE2 3.64Å; C3337-Y3382 HydrophobicContact CB-CG 4.07Å; C3337-Y3382 VanDerWaalsContact O-CE1 3.27Å; C3337-Y3382 WeakPolarHBondContact O-CE1 3.43Å |
| 3338 | S | 51.1 | Low | 67.8 | Low | 80.4 Ų | 80.4 | 72.9 Ų | 72.9 | 56% | 0.562 | 37% | 0.372 | S | S | * | . | trans | -45 | 84.7 | 172.6 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | E3336 S3340 E3341 H3342 | E3336-S3338 PolarHBondContact O-N 3.08Å; E3336-S3338 VanDerWaalsContact O-N 3.13Å; S3338-S3340 PolarHBondContact O-N 3.04Å; S3338-S3340 VanDerWaalsContact O-N 3.11Å; S3338-S3340 PolarHBondContact OG-OG 2.97Å; S3338-S3340 VanDerWaalsContact OG-OG 3.07Å; S3338-E3341 VanDerWaalsContact CB-OE2 3.28Å; S3338-E3341 WeakPolarHBondContact CB-OE2 3.4Å; S3338-E3341 PolarHBondContact N-OE2 3.44Å; S3338-E3341 PolarHBondContact O-N 3.11Å; S3338-E3341 VanDerWaalsContact OG-CG 3.3Å; S3338-E3341 WeakPolarHBondContact OG-CG 3.42Å; S3338-E3341 PolarHBondContact OG-N 3Å; S3338-E3341 PolarHBondContact OG-OE2 2.7Å; S3338-H3342 PolarHBondContact O-N 3.42Å | ||
| 3339 | Q | 58.4 | Low | 67.6 | Low | 104.6 Ų | 104.6 | 72.7 Ų | 72.7 | 49% | 0.489 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.9 | -12.7 | -168.2 | -65.8 | 177.8 | -16 | 0 | 0 | 113.3 | C3337 E3341 Y3343 F3380 Y3382 | C3337-Q3339 WeakPolarHBondContact O-CA 3.42Å; C3337-Q3339 WeakPolarHBondContact O-CG 3.22Å; C3337-Q3339 PolarHBondContact O-N 2.95Å; Q3339-E3341 VanDerWaalsContact C-N 3.35Å; Q3339-E3341 PolarHBondContact O-N 3.28Å; Q3339-E3341 VanDerWaalsContact O-N 3.15Å; Q3339-Y3343 VanDerWaalsContact O-CB 3.29Å; Q3339-Y3343 WeakPolarHBondContact O-CB 3.37Å; Q3339-Y3343 PolarHBondContact O-N 2.92Å; Q3339-Y3343 VanDerWaalsContact O-N 3.12Å; Q3339-F3380 HydrophobicContact CB-CE1 4.42Å; Q3339-Y3382 HydrophobicContact CB-CD1 4.27Å; Q3339-Y3382 HydrophobicContact CB-CE1 4.48Å; Q3339-Y3382 HydrophobicContact CB-CG 4.3Å; Q3339-Y3382 VanDerWaalsContact NE2-CE2 3.33Å; Q3339-Y3382 VanDerWaalsContact OE1-CD1 3.22Å; Q3339-Y3382 VanDerWaalsContact OE1-CE1 3.23Å; Q3339-Y3382 PolarHBondContact OE1-OH 3.13Å |
| 3340 | S | 61.1 | Low | 67.6 | Low | 78 Ų | 78 | 69.4 Ų | 69.4 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.9 | -34.4 | -179.8 | 59.6 | 0 | 0 | 0 | 0 | 114.2 | S3338 Y3343 Q3344 | S3338-S3340 PolarHBondContact O-N 3.04Å; S3338-S3340 VanDerWaalsContact O-N 3.11Å; S3338-S3340 PolarHBondContact OG-OG 2.97Å; S3338-S3340 VanDerWaalsContact OG-OG 3.07Å; S3340-Y3343 VanDerWaalsContact CA-CD1 3.46Å; S3340-Y3343 VanDerWaalsContact CB-CE1 3.4Å; S3340-Y3343 WeakPolarHBondContact O-CD1 3.31Å; S3340-Y3343 WeakPolarHBondContact O-CE1 3.41Å; S3340-Q3344 WeakPolarHBondContact O-CB 3.41Å; S3340-Q3344 VanDerWaalsContact O-CG 3.25Å; S3340-Q3344 WeakPolarHBondContact O-CG 3.34Å; S3340-Q3344 PolarHBondContact O-N 3.25Å; S3340-Q3344 VanDerWaalsContact O-N 3.14Å |
| 3341 | E | 66.9 | Low | 67.6 | Low | 130.4 Ų | 130.4 | 67.3 Ų | 67.3 | 61% | 0.609 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -73.1 | -44.3 | -179.2 | -70.5 | -173.6 | 151.8 | 0 | 0 | 112 | C3337 S3338 Q3339 Y3343 Q3344 S3345 | C3337-E3341 HydrophobicContact CB-CB 4Å; S3338-E3341 VanDerWaalsContact CB-OE2 3.28Å; S3338-E3341 WeakPolarHBondContact CB-OE2 3.4Å; S3338-E3341 PolarHBondContact N-OE2 3.44Å; S3338-E3341 PolarHBondContact O-N 3.11Å; S3338-E3341 VanDerWaalsContact OG-CG 3.3Å; S3338-E3341 WeakPolarHBondContact OG-CG 3.42Å; S3338-E3341 PolarHBondContact OG-N 3Å; S3338-E3341 PolarHBondContact OG-OE2 2.7Å; Q3339-E3341 VanDerWaalsContact C-N 3.35Å; Q3339-E3341 PolarHBondContact O-N 3.28Å; Q3339-E3341 VanDerWaalsContact O-N 3.15Å; E3341-Y3343 VanDerWaalsContact C-N 3.33Å; E3341-Y3343 PolarHBondContact O-N 3.1Å; E3341-Q3344 WeakPolarHBondContact O-CB 3.45Å; E3341-Q3344 PolarHBondContact O-N 3.13Å; E3341-Q3344 VanDerWaalsContact O-N 3.12Å; E3341-S3345 VanDerWaalsContact O-CB 3.28Å; E3341-S3345 WeakPolarHBondContact O-CB 3.45Å; E3341-S3345 PolarHBondContact O-N 3.19Å; E3341-S3345 VanDerWaalsContact O-N 3.07Å; E3341-S3345 PolarHBondContact O-OG 3.05Å |
| 3342 | H | 71.3 | Confident | 67.5 | Low | 41.6 Ų | 41.6 | 66.4 Ų | 66.4 | 19% | 0.193 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 178.6 | -80.2 | -42.7 | 0 | 0 | 0 | 112.1 | S3327 M3330 I3331 C3337 S3338 Q3344 S3345 V3346 F3380 | S3327-H3342 WeakPolarHBondContact CB-O 3.41Å; S3327-H3342 PolarHBondContact OG-ND1 3.2Å; M3330-H3342 WeakPolarHBondContact CE-NE2 3.32Å; M3330-H3342 PolarHBondContact SD-CE1 3.44Å; M3330-H3342 VanDerWaalsContact SD-CE1 3.56Å; I3331-H3342 HydrophobicContact CD1-CB 4.02Å; I3331-H3342 HydrophobicContact CG1-CB 4.13Å; C3337-H3342 HydrophobicContact CB-CB 4.49Å; C3337-H3342 WeakPolarHBondContact CB-NE2 2.98Å; S3338-H3342 PolarHBondContact O-N 3.42Å; H3342-Q3344 VanDerWaalsContact C-N 3.32Å; H3342-Q3344 PolarHBondContact O-N 3.04Å; H3342-S3345 WeakPolarHBondContact O-CB 3.49Å; H3342-S3345 PolarHBondContact O-N 3.16Å; H3342-V3346 WeakPolarHBondContact O-CB 3.36Å; H3342-V3346 VanDerWaalsContact O-CG2 3.31Å; H3342-V3346 WeakPolarHBondContact O-CG2 3.44Å; H3342-V3346 PolarHBondContact O-N 3.28Å; H3342-F3380 HydrophobicContact CB-CZ 4.24Å; H3342-F3380 AromaticContact CD2-CE2 3.71Å; H3342-F3380 AromaticContact CD2-CZ 3.61Å |
| 3343 | Y | 70.8 | Confident | 67.4 | Low | 42 Ų | 42 | 62 Ų | 62 | 17% | 0.165 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60 | -43.1 | 173.3 | 152.1 | -93.9 | 0 | 0 | 0 | 111.9 | Q3339 S3340 E3341 S3345 V3346 L3347 L3377 N3378 L3385 Q3387 | Q3339-Y3343 VanDerWaalsContact O-CB 3.29Å; Q3339-Y3343 WeakPolarHBondContact O-CB 3.37Å; Q3339-Y3343 PolarHBondContact O-N 2.92Å; Q3339-Y3343 VanDerWaalsContact O-N 3.12Å; S3340-Y3343 VanDerWaalsContact CA-CD1 3.46Å; S3340-Y3343 VanDerWaalsContact CB-CE1 3.4Å; S3340-Y3343 WeakPolarHBondContact O-CD1 3.31Å; S3340-Y3343 WeakPolarHBondContact O-CE1 3.41Å; E3341-Y3343 VanDerWaalsContact C-N 3.33Å; E3341-Y3343 PolarHBondContact O-N 3.1Å; Y3343-S3345 VanDerWaalsContact C-N 3.32Å; Y3343-S3345 PolarHBondContact O-N 3.23Å; Y3343-V3346 PolarHBondContact O-N 3.27Å; Y3343-L3347 HydrophobicContact CD1-CD1 4.03Å; Y3343-L3347 HydrophobicContact CE1-CD1 3.92Å; Y3343-L3347 VanDerWaalsContact CE1-CD1 3.46Å; Y3343-L3347 HydrophobicContact CE1-CG 4.23Å; Y3343-L3347 HydrophobicContact CE2-CD1 4.42Å; Y3343-L3347 HydrophobicContact CE2-CG 4.39Å; Y3343-L3347 WeakPolarHBondContact O-CB 3.38Å; Y3343-L3347 WeakPolarHBondContact O-CG 3.25Å; Y3343-L3347 PolarHBondContact O-N 3.06Å; Y3343-L3347 VanDerWaalsContact OH-CD1 3.28Å; Y3343-L3347 WeakPolarHBondContact OH-CD1 3.18Å; Y3343-L3377 HydrophobicContact CD2-CD2 4.24Å; Y3343-L3377 HydrophobicContact CE2-CB 3.63Å; Y3343-L3377 HydrophobicContact CE2-CD1 4.46Å; Y3343-L3377 HydrophobicContact CE2-CD2 3.83Å; Y3343-L3377 HydrophobicContact CE2-CG 4.19Å; Y3343-L3377 WeakPolarHBondContact CE2-O 3.46Å; Y3343-L3377 PolarHBondContact OH-O 3.17Å; Y3343-N3378 WeakPolarHBondContact OH-CA 3.43Å; Y3343-N3378 PolarHBondContact OH-N 2.92Å; Y3343-L3385 HydrophobicContact CD2-CD1 4.22Å; Y3343-Q3387 PolarHBondContact OH-NE2 3.3Å |
| 3344 | Q | 73.9 | Confident | 67.5 | Low | 70 Ų | 70 | 57.1 Ų | 57.1 | 33% | 0.327 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.3 | -36.9 | 177.4 | -76.8 | -85.6 | -17.2 | 0 | 0 | 112 | S3340 E3341 H3342 L3347 R3348 | S3340-Q3344 WeakPolarHBondContact O-CB 3.41Å; S3340-Q3344 VanDerWaalsContact O-CG 3.25Å; S3340-Q3344 WeakPolarHBondContact O-CG 3.34Å; S3340-Q3344 PolarHBondContact O-N 3.25Å; S3340-Q3344 VanDerWaalsContact O-N 3.14Å; E3341-Q3344 WeakPolarHBondContact O-CB 3.45Å; E3341-Q3344 PolarHBondContact O-N 3.13Å; E3341-Q3344 VanDerWaalsContact O-N 3.12Å; H3342-Q3344 VanDerWaalsContact C-N 3.32Å; H3342-Q3344 PolarHBondContact O-N 3.04Å; Q3344-L3347 PolarHBondContact O-N 3.11Å; Q3344-R3348 WeakPolarHBondContact O-CB 3.33Å; Q3344-R3348 WeakPolarHBondContact O-CD 3.47Å; Q3344-R3348 VanDerWaalsContact O-CG 3.27Å; Q3344-R3348 WeakPolarHBondContact O-CG 3.33Å; Q3344-R3348 PolarHBondContact O-N 3.23Å |
| 3345 | S | 75.5 | Confident | 67.8 | Low | 10.2 Ų | 10.2 | 51.9 Ų | 51.9 | 7% | 0.071 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.3 | -43 | 175.4 | -62 | 0 | 0 | 0 | 0 | 111.9 | E3323 S3327 E3341 H3342 Y3343 L3347 R3348 S3349 | E3323-S3345 WeakPolarHBondContact OE1-CB 3.45Å; E3323-S3345 PolarHBondContact OE1-OG 3.18Å; S3327-S3345 VanDerWaalsContact CB-O 3.31Å; S3327-S3345 WeakPolarHBondContact CB-O 3.29Å; S3327-S3345 WeakPolarHBondContact OG-CA 3.43Å; S3327-S3345 WeakPolarHBondContact OG-CB 3.4Å; S3327-S3345 PolarHBondContact OG-OG 3.3Å; E3341-S3345 VanDerWaalsContact O-CB 3.28Å; E3341-S3345 WeakPolarHBondContact O-CB 3.45Å; E3341-S3345 PolarHBondContact O-N 3.19Å; E3341-S3345 VanDerWaalsContact O-N 3.07Å; E3341-S3345 PolarHBondContact O-OG 3.05Å; H3342-S3345 WeakPolarHBondContact O-CB 3.49Å; H3342-S3345 PolarHBondContact O-N 3.16Å; Y3343-S3345 VanDerWaalsContact C-N 3.32Å; Y3343-S3345 PolarHBondContact O-N 3.23Å; S3345-L3347 VanDerWaalsContact C-N 3.33Å; S3345-L3347 PolarHBondContact O-N 3.05Å; S3345-R3348 PolarHBondContact O-N 2.98Å; S3345-S3349 WeakPolarHBondContact O-CB 3.43Å; S3345-S3349 PolarHBondContact O-N 3.24Å; S3345-S3349 VanDerWaalsContact O-N 3.12Å; S3345-S3349 PolarHBondContact O-OG 3.2Å |
| 3346 | V | 76.5 | Confident | 68.3 | Low | 0.4 Ų | 0.4 | 46.6 Ų | 46.6 | 0% | 0.002 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.7 | -44 | 173.6 | 174 | 0 | 0 | 0 | 0 | 111 | L3328 I3331 H3342 Y3343 S3349 L3350 I3373 N3376 L3377 L3385 I3394 | L3328-V3346 HydrophobicContact CB-CG2 4.12Å; I3331-V3346 HydrophobicContact CD1-CB 4.36Å; I3331-V3346 HydrophobicContact CD1-CG2 4.09Å; I3331-V3346 HydrophobicContact CG1-CG2 4.28Å; H3342-V3346 WeakPolarHBondContact O-CB 3.36Å; H3342-V3346 VanDerWaalsContact O-CG2 3.31Å; H3342-V3346 WeakPolarHBondContact O-CG2 3.44Å; H3342-V3346 PolarHBondContact O-N 3.28Å; Y3343-V3346 PolarHBondContact O-N 3.27Å; V3346-S3349 WeakPolarHBondContact O-CB 3.39Å; V3346-S3349 PolarHBondContact O-N 3.03Å; V3346-L3350 HydrophobicContact CG1-CD1 4.28Å; V3346-L3350 WeakPolarHBondContact O-CB 3.12Å; V3346-L3350 WeakPolarHBondContact O-CG 3.36Å; V3346-L3350 PolarHBondContact O-N 3.01Å; V3346-L3350 VanDerWaalsContact O-N 3.08Å; V3346-I3373 HydrophobicContact CG1-CG2 4.32Å; V3346-N3376 HydrophobicContact CG2-CB 4.26Å; V3346-L3377 HydrophobicContact CG1-CD1 4.48Å; V3346-L3377 HydrophobicContact CG1-CD2 3.44Å; V3346-L3377 VanDerWaalsContact CG1-CD2 3.44Å; V3346-L3377 HydrophobicContact CG1-CG 3.57Å; V3346-L3385 HydrophobicContact CB-CD1 4.29Å; V3346-L3385 HydrophobicContact CG1-CD1 4.33Å; V3346-L3385 HydrophobicContact CG1-CD2 4.32Å; V3346-L3385 HydrophobicContact CG2-CD1 4.42Å; V3346-I3394 HydrophobicContact CG1-CD1 4.41Å; V3346-I3394 HydrophobicContact CG1-CG2 3.94Å |
| 3347 | L | 76 | Confident | 68.8 | Low | 12.4 Ų | 12.4 | 38.3 Ų | 38.3 | 7% | 0.065 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.7 | -46.6 | 178.2 | -157.5 | 153.9 | 0 | 0 | 0 | 112.1 | Y3343 Q3344 S3345 S3349 L3350 E3351 I3374 L3377 N3378 | Y3343-L3347 HydrophobicContact CD1-CD1 4.03Å; Y3343-L3347 HydrophobicContact CE1-CD1 3.92Å; Y3343-L3347 VanDerWaalsContact CE1-CD1 3.46Å; Y3343-L3347 HydrophobicContact CE1-CG 4.23Å; Y3343-L3347 HydrophobicContact CE2-CD1 4.42Å; Y3343-L3347 HydrophobicContact CE2-CG 4.39Å; Y3343-L3347 WeakPolarHBondContact O-CB 3.38Å; Y3343-L3347 WeakPolarHBondContact O-CG 3.25Å; Y3343-L3347 PolarHBondContact O-N 3.06Å; Y3343-L3347 VanDerWaalsContact OH-CD1 3.28Å; Y3343-L3347 WeakPolarHBondContact OH-CD1 3.18Å; Q3344-L3347 PolarHBondContact O-N 3.11Å; S3345-L3347 VanDerWaalsContact C-N 3.33Å; S3345-L3347 PolarHBondContact O-N 3.05Å; L3347-S3349 VanDerWaalsContact C-N 3.3Å; L3347-S3349 PolarHBondContact O-N 3.23Å; L3347-L3350 CarbonylContact O-C 3.48Å; L3347-L3350 WeakPolarHBondContact O-CB 3.38Å; L3347-L3350 PolarHBondContact O-N 3.14Å; L3347-L3350 VanDerWaalsContact O-N 3.15Å; L3347-E3351 VanDerWaalsContact CD2-CD 3.47Å; L3347-E3351 HydrophobicContact CD2-CG 4.17Å; L3347-E3351 VanDerWaalsContact CD2-OE1 3.28Å; L3347-E3351 WeakPolarHBondContact CD2-OE1 3.3Å; L3347-E3351 WeakPolarHBondContact O-CG 3.39Å; L3347-E3351 PolarHBondContact O-N 3.03Å; L3347-I3374 HydrophobicContact CD2-CG2 4.46Å; L3347-I3374 HydrophobicContact CG-CG2 4.4Å; L3347-L3377 HydrophobicContact CD1-CB 4.38Å; L3347-N3378 WeakPolarHBondContact CD1-OD1 3.46Å |
| 3348 | R | 74.1 | Confident | 69.3 | Low | 85.6 Ų | 85.6 | 38.1 Ų | 38.1 | 32% | 0.323 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.4 | -38.6 | 175.9 | -72.6 | 170.3 | -170.8 | 172.6 | 4.3 | 112.3 | S3220 H3224 I3320 E3323 G3324 Q3344 S3345 L3350 E3351 T3352 | S3220-R3348 VanDerWaalsContact CB-NE 3.27Å; S3220-R3348 PolarHBondContact OG-NE 3.38Å; S3220-R3348 PolarHBondContact OG-NH2 3.31Å; H3224-R3348 PolarHBondContact NE2-O 2.94Å; I3320-R3348 HydrophobicContact CG2-CB 4.23Å; E3323-R3348 IonicContact OE1-NH1 2.64Å; G3324-R3348 WeakPolarHBondContact CA-O 3.16Å; Q3344-R3348 WeakPolarHBondContact O-CB 3.33Å; Q3344-R3348 WeakPolarHBondContact O-CD 3.47Å; Q3344-R3348 VanDerWaalsContact O-CG 3.27Å; Q3344-R3348 WeakPolarHBondContact O-CG 3.33Å; Q3344-R3348 PolarHBondContact O-N 3.23Å; S3345-R3348 PolarHBondContact O-N 2.98Å; R3348-L3350 VanDerWaalsContact C-N 3.29Å; R3348-L3350 PolarHBondContact O-N 3.46Å; R3348-E3351 PolarHBondContact O-N 3.17Å; R3348-T3352 PolarHBondContact O-N 3.27Å; R3348-T3352 PolarHBondContact O-OG1 2.95Å |
| 3349 | S | 77 | Confident | 69.5 | Low | 0.6 Ų | 0.6 | 37.6 Ų | 37.6 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.1 | -39.6 | 177.4 | -49.5 | 0 | 0 | 0 | 0 | 111.8 | I3320 G3324 L3328 S3345 V3346 L3347 T3352 V3353 | I3320-S3349 WeakPolarHBondContact CG2-OG 3.27Å; I3320-S3349 PolarHBondContact O-OG 3.04Å; G3324-S3349 VanDerWaalsContact CA-OG 3.24Å; G3324-S3349 WeakPolarHBondContact CA-OG 3.44Å; G3324-S3349 PolarHBondContact N-OG 3.48Å; G3324-S3349 PolarHBondContact O-OG 2.85Å; L3328-S3349 PolarHBondContact N-OG 2.77Å; S3345-S3349 WeakPolarHBondContact O-CB 3.43Å; S3345-S3349 PolarHBondContact O-N 3.24Å; S3345-S3349 VanDerWaalsContact O-N 3.12Å; S3345-S3349 PolarHBondContact O-OG 3.2Å; V3346-S3349 WeakPolarHBondContact O-CB 3.39Å; V3346-S3349 PolarHBondContact O-N 3.03Å; L3347-S3349 VanDerWaalsContact C-N 3.3Å; L3347-S3349 PolarHBondContact O-N 3.23Å; S3349-T3352 VanDerWaalsContact O-CB 3.31Å; S3349-T3352 WeakPolarHBondContact O-CB 3.24Å; S3349-T3352 PolarHBondContact O-N 3.07Å; S3349-T3352 VanDerWaalsContact O-N 3.17Å; S3349-V3353 WeakPolarHBondContact O-CG2 3.42Å; S3349-V3353 PolarHBondContact O-N 3.03Å; S3349-V3353 VanDerWaalsContact O-N 3.12Å |
| 3350 | L | 76.6 | Confident | 69.3 | Low | 4.2 Ų | 4.2 | 34.2 Ų | 34.2 | 2% | 0.022 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.8 | -41.3 | 172.9 | -85.5 | 163.9 | 0 | 0 | 0 | 112.4 | V3346 L3347 R3348 T3352 V3353 L3354 I3370 I3373 I3374 L3377 I3390 I3394 | V3346-L3350 HydrophobicContact CG1-CD1 4.28Å; V3346-L3350 WeakPolarHBondContact O-CB 3.12Å; V3346-L3350 WeakPolarHBondContact O-CG 3.36Å; V3346-L3350 PolarHBondContact O-N 3.01Å; V3346-L3350 VanDerWaalsContact O-N 3.08Å; L3347-L3350 CarbonylContact O-C 3.48Å; L3347-L3350 WeakPolarHBondContact O-CB 3.38Å; L3347-L3350 PolarHBondContact O-N 3.14Å; L3347-L3350 VanDerWaalsContact O-N 3.15Å; R3348-L3350 VanDerWaalsContact C-N 3.29Å; R3348-L3350 PolarHBondContact O-N 3.46Å; L3350-T3352 VanDerWaalsContact C-N 3.28Å; L3350-T3352 PolarHBondContact O-N 2.98Å; L3350-V3353 WeakPolarHBondContact O-CB 3.35Å; L3350-V3353 PolarHBondContact O-N 3.28Å; L3350-V3353 VanDerWaalsContact O-N 3.13Å; L3350-L3354 HydrophobicContact CD2-CD1 3.84Å; L3350-L3354 HydrophobicContact CG-CD1 3.93Å; L3350-L3354 HydrophobicContact CG-CG 4.45Å; L3350-L3354 WeakPolarHBondContact O-CB 3.47Å; L3350-L3354 WeakPolarHBondContact O-CG 3.26Å; L3350-L3354 PolarHBondContact O-N 3.17Å; L3350-I3370 HydrophobicContact CB-CG2 3.96Å; L3350-I3370 HydrophobicContact CD2-CG1 4.33Å; L3350-I3370 HydrophobicContact CD2-CG2 4.04Å; L3350-I3370 HydrophobicContact CG-CG2 4.38Å; L3350-I3373 HydrophobicContact CD1-CG2 3.78Å; L3350-I3374 HydrophobicContact CB-CD1 3.87Å; L3350-I3374 HydrophobicContact CB-CG1 3.84Å; L3350-I3374 HydrophobicContact CD1-CG1 4.31Å; L3350-L3377 HydrophobicContact CD1-CD1 4.1Å; L3350-I3390 HydrophobicContact CD1-CG2 4.46Å; L3350-I3394 HydrophobicContact CD1-CD1 4.12Å; L3350-I3394 HydrophobicContact CD1-CG1 4.16Å; L3350-I3394 HydrophobicContact CD1-CG2 4.37Å; L3350-I3394 HydrophobicContact CD2-CG1 4.29Å; L3350-I3394 HydrophobicContact CD2-CG2 4.11Å; L3350-I3394 HydrophobicContact CG-CG2 4.41Å |
| 3351 | E | 75.4 | Confident | 69 | Low | 29 Ų | 29 | 33.6 Ų | 33.6 | 14% | 0.136 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.2 | -40.2 | 172.7 | -72.9 | -179.4 | 157.8 | 0 | 0 | 111.1 | H3224 L3347 R3348 V3353 L3354 F3355 I3374 C3500 | H3224-E3351 IonicContact CE1-OE1 3.21Å; H3224-E3351 PolarHBondContact CE1-OE1 3.33Å; H3224-E3351 IonicContact CE1-OE2 3.31Å; H3224-E3351 IonicContact NE2-OE2 3.97Å; L3347-E3351 VanDerWaalsContact CD2-CD 3.47Å; L3347-E3351 HydrophobicContact CD2-CG 4.17Å; L3347-E3351 VanDerWaalsContact CD2-OE1 3.28Å; L3347-E3351 WeakPolarHBondContact CD2-OE1 3.3Å; L3347-E3351 WeakPolarHBondContact O-CG 3.39Å; L3347-E3351 PolarHBondContact O-N 3.03Å; R3348-E3351 PolarHBondContact O-N 3.17Å; E3351-V3353 VanDerWaalsContact C-N 3.27Å; E3351-V3353 PolarHBondContact O-N 3.06Å; E3351-L3354 WeakPolarHBondContact O-CB 3.14Å; E3351-L3354 PolarHBondContact O-N 3.07Å; E3351-F3355 HydrophobicContact CB-CD2 4.29Å; E3351-F3355 HydrophobicContact CB-CE2 4.39Å; E3351-F3355 HydrophobicContact CG-CD2 4.25Å; E3351-F3355 HydrophobicContact CG-CE2 4.21Å; E3351-F3355 WeakPolarHBondContact O-CB 3.31Å; E3351-F3355 VanDerWaalsContact O-CD2 3.23Å; E3351-F3355 WeakPolarHBondContact O-CD2 3.31Å; E3351-F3355 PolarHBondContact O-N 3.05Å; E3351-I3374 HydrophobicContact CG-CD1 4.07Å; E3351-C3500 HydrophobicContact CG-CB 4.41Å |
| 3352 | T | 72.8 | Confident | 68.7 | Low | 3.6 Ų | 3.6 | 27.6 Ų | 27.6 | 2% | 0.022 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.3 | -37.7 | 175.6 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | H3224 I3227 Q3317 I3320 S3321 G3324 R3348 S3349 L3350 L3354 F3355 N3356 L3401 | H3224-T3352 PolarHBondContact CD2-N 3.24Å; H3224-T3352 PolarHBondContact CD2-OG1 2.94Å; H3224-T3352 VanDerWaalsContact CD2-OG1 3.29Å; H3224-T3352 PolarHBondContact NE2-OG1 3.16Å; H3224-T3352 VanDerWaalsContact NE2-OG1 3.13Å; I3227-T3352 HydrophobicContact CD1-CG2 3.86Å; Q3317-T3352 HydrophobicContact CG-CG2 4.31Å; I3320-T3352 HydrophobicContact CD1-CG2 4.41Å; I3320-T3352 VanDerWaalsContact CG2-OG1 3.3Å; I3320-T3352 WeakPolarHBondContact CG2-OG1 3.23Å; I3320-T3352 PolarHBondContact O-OG1 2.73Å; S3321-T3352 WeakPolarHBondContact CA-OG1 3.2Å; G3324-T3352 WeakPolarHBondContact CA-OG1 3.46Å; G3324-T3352 PolarHBondContact N-OG1 3.32Å; R3348-T3352 PolarHBondContact O-N 3.27Å; R3348-T3352 PolarHBondContact O-OG1 2.95Å; S3349-T3352 VanDerWaalsContact O-CB 3.31Å; S3349-T3352 WeakPolarHBondContact O-CB 3.24Å; S3349-T3352 PolarHBondContact O-N 3.07Å; S3349-T3352 VanDerWaalsContact O-N 3.17Å; L3350-T3352 VanDerWaalsContact C-N 3.28Å; L3350-T3352 PolarHBondContact O-N 2.98Å; T3352-L3354 VanDerWaalsContact C-N 3.31Å; T3352-L3354 PolarHBondContact O-N 3.17Å; T3352-F3355 PolarHBondContact O-N 3.08Å; T3352-N3356 WeakPolarHBondContact O-CB 3.43Å; T3352-N3356 PolarHBondContact O-N 3.09Å; T3352-L3401 HydrophobicContact CG2-CD2 4.02Å |
| 3353 | V | 72.1 | Confident | 68.7 | Low | 6.2 Ų | 6.2 | 26.5 Ų | 26.5 | 4% | 0.038 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.8 | -41.5 | 175.2 | -179.3 | 0 | 0 | 0 | 0 | 111.4 | S3349 L3350 E3351 F3355 N3356 L3360 A3362 R3366 I3370 I3373 L3401 | S3349-V3353 WeakPolarHBondContact O-CG2 3.42Å; S3349-V3353 PolarHBondContact O-N 3.03Å; S3349-V3353 VanDerWaalsContact O-N 3.12Å; L3350-V3353 WeakPolarHBondContact O-CB 3.35Å; L3350-V3353 PolarHBondContact O-N 3.28Å; L3350-V3353 VanDerWaalsContact O-N 3.13Å; E3351-V3353 VanDerWaalsContact C-N 3.27Å; E3351-V3353 PolarHBondContact O-N 3.06Å; V3353-F3355 VanDerWaalsContact C-N 3.34Å; V3353-F3355 PolarHBondContact O-N 3.09Å; V3353-N3356 CarbonylContact O-C 3.5Å; V3353-N3356 PolarHBondContact O-N 3.15Å; V3353-L3360 HydrophobicContact CB-CD1 4.07Å; V3353-L3360 HydrophobicContact CG1-CD1 3.92Å; V3353-L3360 HydrophobicContact CG2-CD1 4.12Å; V3353-A3362 HydrophobicContact CG1-CB 4.24Å; V3353-R3366 PolarHBondContact O-NE 3.47Å; V3353-R3366 PolarHBondContact O-NH2 3.25Å; V3353-I3370 HydrophobicContact CB-CD1 4.09Å; V3353-I3370 HydrophobicContact CG1-CD1 3.65Å; V3353-I3370 HydrophobicContact CG1-CG1 3.53Å; V3353-I3370 HydrophobicContact CG2-CD1 4.44Å; V3353-I3373 HydrophobicContact CG2-CD1 3.77Å; V3353-L3401 HydrophobicContact CG2-CD1 3.58Å; V3353-L3401 VanDerWaalsContact CG2-CD1 3.48Å; V3353-L3401 HydrophobicContact CG2-CG 4.19Å |
| 3354 | L | 71.3 | Confident | 68.9 | Low | 17.8 Ų | 17.8 | 24.5 Ų | 24.5 | 9% | 0.093 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -73.8 | -32.5 | -179.7 | -62.8 | -176.7 | 0 | 0 | 0 | 113.5 | L3350 E3351 T3352 N3356 A3367 I3370 A3371 I3374 A3448 A3499 | L3350-L3354 HydrophobicContact CD2-CD1 3.84Å; L3350-L3354 HydrophobicContact CG-CD1 3.93Å; L3350-L3354 HydrophobicContact CG-CG 4.45Å; L3350-L3354 WeakPolarHBondContact O-CB 3.47Å; L3350-L3354 WeakPolarHBondContact O-CG 3.26Å; L3350-L3354 PolarHBondContact O-N 3.17Å; E3351-L3354 WeakPolarHBondContact O-CB 3.14Å; E3351-L3354 PolarHBondContact O-N 3.07Å; T3352-L3354 VanDerWaalsContact C-N 3.31Å; T3352-L3354 PolarHBondContact O-N 3.17Å; L3354-N3356 VanDerWaalsContact C-N 3.31Å; L3354-N3356 PolarHBondContact O-N 2.95Å; L3354-A3367 HydrophobicContact CD2-CB 3.82Å; L3354-A3367 WeakPolarHBondContact CD2-O 3.33Å; L3354-I3370 HydrophobicContact CD1-CG2 4.19Å; L3354-I3370 HydrophobicContact CD2-CB 4.13Å; L3354-I3370 HydrophobicContact CD2-CG2 3.9Å; L3354-I3370 HydrophobicContact CG-CG2 3.87Å; L3354-A3371 HydrophobicContact CD1-CB 4.08Å; L3354-I3374 HydrophobicContact CD1-CD1 3.62Å; L3354-I3374 HydrophobicContact CG-CD1 4.36Å; L3354-A3448 HydrophobicContact CD1-CB 4.35Å; L3354-A3448 HydrophobicContact CD2-CB 4.03Å; L3354-A3499 HydrophobicContact CD1-CB 4.26Å |
| 3355 | F | 67.4 | Low | 68.9 | Low | 16.2 Ų | 16.2 | 22.6 Ų | 22.6 | 7% | 0.071 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -78.1 | -15 | 176.8 | -79.5 | -75.4 | 0 | 0 | 0 | 113.7 | H3224 Y3225 L3228 E3351 T3352 V3353 P3357 T3496 C3500 | H3224-F3355 HydrophobicContact CB-CB 4.48Å; H3224-F3355 HydrophobicContact CB-CD1 4.29Å; H3224-F3355 HydrophobicContact CB-CD2 3.61Å; H3224-F3355 VanDerWaalsContact CB-CD2 3.45Å; H3224-F3355 HydrophobicContact CB-CE1 4.24Å; H3224-F3355 HydrophobicContact CB-CE2 3.68Å; H3224-F3355 HydrophobicContact CB-CG 4.09Å; H3224-F3355 HydrophobicContact CB-CZ 4.21Å; H3224-F3355 AromaticContact CD2-CD2 3.8Å; H3224-F3355 AromaticContact CD2-CE2 3.68Å; H3224-F3355 AromaticContact CD2-CG 3.89Å; H3224-F3355 AromaticContact CD2-CZ 3.85Å; H3224-F3355 AromaticContact CG-CD2 3.99Å; H3224-F3355 AromaticContact NE2-CD2 3.35Å; H3224-F3355 VanDerWaalsContact NE2-CD2 3.35Å; H3224-F3355 WeakPolarHBondContact NE2-CD2 3.28Å; H3224-F3355 AromaticContact NE2-CE2 3.45Å; H3224-F3355 WeakPolarHBondContact NE2-CE2 3.47Å; H3224-F3355 AromaticContact NE2-CG 3.93Å; Y3225-F3355 AromaticContact CD1-CE1 3.75Å; Y3225-F3355 HydrophobicContact CD1-CE1 4.01Å; Y3225-F3355 HydrophobicContact CD1-CZ 4.08Å; Y3225-F3355 HydrophobicContact CD2-CZ 4.5Å; Y3225-F3355 AromaticContact CE1-CE1 3.64Å; Y3225-F3355 HydrophobicContact CE1-CE1 3.88Å; Y3225-F3355 AromaticContact CE1-CZ 3.75Å; Y3225-F3355 HydrophobicContact CE1-CZ 4.09Å; Y3225-F3355 HydrophobicContact CE2-CE1 4.37Å; Y3225-F3355 HydrophobicContact CE2-CZ 4.14Å; Y3225-F3355 HydrophobicContact CG-CE1 4.36Å; Y3225-F3355 AromaticContact CZ-CE1 3.98Å; Y3225-F3355 AromaticContact CZ-CZ 3.99Å; L3228-F3355 HydrophobicContact CB-CB 4.49Å; L3228-F3355 HydrophobicContact CB-CD1 4.08Å; L3228-F3355 HydrophobicContact CD1-CD1 4.16Å; L3228-F3355 WeakPolarHBondContact CD1-O 3.5Å; L3228-F3355 HydrophobicContact CD2-CD1 3.9Å; L3228-F3355 HydrophobicContact CD2-CE1 4.15Å; L3228-F3355 HydrophobicContact CG-CD1 4.45Å; E3351-F3355 HydrophobicContact CB-CD2 4.29Å; E3351-F3355 HydrophobicContact CB-CE2 4.39Å; E3351-F3355 HydrophobicContact CG-CD2 4.25Å; E3351-F3355 HydrophobicContact CG-CE2 4.21Å; E3351-F3355 WeakPolarHBondContact O-CB 3.31Å; E3351-F3355 VanDerWaalsContact O-CD2 3.23Å; E3351-F3355 WeakPolarHBondContact O-CD2 3.31Å; E3351-F3355 PolarHBondContact O-N 3.05Å; T3352-F3355 PolarHBondContact O-N 3.08Å; V3353-F3355 VanDerWaalsContact C-N 3.34Å; V3353-F3355 PolarHBondContact O-N 3.09Å; F3355-P3357 VanDerWaalsContact C-CD 3.45Å; F3355-P3357 WeakPolarHBondContact O-CD 3.44Å; F3355-T3496 HydrophobicContact CD1-CG2 3.45Å; F3355-T3496 VanDerWaalsContact CD1-CG2 3.43Å; F3355-T3496 HydrophobicContact CE1-CG2 3.65Å; F3355-T3496 HydrophobicContact CG-CG2 4.01Å; F3355-T3496 HydrophobicContact CZ-CG2 4.34Å; F3355-C3500 HydrophobicContact CD2-CB 4.41Å; F3355-C3500 HydrophobicContact CE2-CB 3.77Å; F3355-C3500 VanDerWaalsContact CE2-CB 3.47Å; F3355-C3500 VanDerWaalsContact CE2-SG 3.6Å; F3355-C3500 WeakPolarHBondContact CE2-SG 3.45Å; F3355-C3500 HydrophobicContact CZ-CB 3.97Å |
| 3356 | N | 66.4 | Low | 68.9 | Low | 8 Ų | 8 | 24.3 Ų | 24.3 | 4% | 0.043 | 12% | 0.116 | C | C | . | . | trans | -135.4 | 68.2 | -178.2 | -168.6 | 16.9 | 0 | 0 | 0 | 113.5 | I3227 K3231 Q3317 S3321 T3352 V3353 L3354 I3358 E3359 L3360 | I3227-N3356 HydrophobicContact CG2-CB 4Å; K3231-N3356 WeakPolarHBondContact CD-OD1 3.49Å; K3231-N3356 WeakPolarHBondContact CE-ND2 3.41Å; K3231-N3356 WeakPolarHBondContact CE-OD1 3.36Å; K3231-N3356 VanDerWaalsContact NZ-CG 3.3Å; K3231-N3356 PolarHBondContact NZ-ND2 2.65Å; K3231-N3356 PolarHBondContact NZ-OD1 2.95Å; Q3317-N3356 PolarHBondContact NE2-ND2 3.16Å; S3321-N3356 WeakPolarHBondContact CB-ND2 3.43Å; S3321-N3356 PolarHBondContact OG-ND2 2.98Å; T3352-N3356 WeakPolarHBondContact O-CB 3.43Å; T3352-N3356 PolarHBondContact O-N 3.09Å; V3353-N3356 CarbonylContact O-C 3.5Å; V3353-N3356 PolarHBondContact O-N 3.15Å; L3354-N3356 VanDerWaalsContact C-N 3.31Å; L3354-N3356 PolarHBondContact O-N 2.95Å; N3356-I3358 VanDerWaalsContact C-N 3.34Å; N3356-I3358 PolarHBondContact O-N 3.24Å; N3356-I3358 WeakPolarHBondContact OD1-CD1 3.41Å; N3356-I3358 VanDerWaalsContact OD1-CG1 3.31Å; N3356-I3358 WeakPolarHBondContact OD1-CG1 3.5Å; N3356-E3359 PolarHBondContact ND2-OE2 3.12Å; N3356-E3359 PolarHBondContact OD1-N 2.65Å; N3356-L3360 HydrophobicContact CB-CD1 4.46Å; N3356-L3360 VanDerWaalsContact O-CD1 3.31Å; N3356-L3360 WeakPolarHBondContact O-CD1 3.38Å; N3356-L3360 WeakPolarHBondContact O-CG 3.37Å | ||
| 3357 | P | 62.1 | Low | 68.9 | Low | 15.2 Ų | 15.2 | 24.3 Ų | 24.3 | 10% | 0.099 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -17 | -173.7 | 26.5 | -34 | 0 | 0 | 0 | 113.7 | F3355 E3359 L3360 L3361 A3362 T3452 | F3355-P3357 VanDerWaalsContact C-CD 3.45Å; F3355-P3357 WeakPolarHBondContact O-CD 3.44Å; P3357-E3359 WeakPolarHBondContact O-CG 3.46Å; P3357-E3359 PolarHBondContact O-N 3.21Å; P3357-L3360 CarbonylContact O-C 3.57Å; P3357-L3360 PolarHBondContact O-N 2.99Å; P3357-L3361 PolarHBondContact O-N 2.97Å; P3357-L3361 VanDerWaalsContact O-N 3.15Å; P3357-A3362 HydrophobicContact CB-CB 3.97Å; P3357-A3362 VanDerWaalsContact O-CB 3.27Å; P3357-A3362 WeakPolarHBondContact O-CB 3.33Å; P3357-A3362 PolarHBondContact O-N 3.25Å; P3357-T3452 HydrophobicContact CB-CG2 3.72Å; P3357-T3452 HydrophobicContact CG-CG2 4.29Å |
| 3358 | I | 57.6 | Low | 69 | Low | 43.6 Ų | 43.6 | 25 Ų | 25 | 22% | 0.224 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -37.2 | -174.8 | -57.6 | 170.7 | 0 | 0 | 0 | 111.8 | N3356 L3360 L3361 S3455 S3459 | N3356-I3358 VanDerWaalsContact C-N 3.34Å; N3356-I3358 PolarHBondContact O-N 3.24Å; N3356-I3358 WeakPolarHBondContact OD1-CD1 3.41Å; N3356-I3358 VanDerWaalsContact OD1-CG1 3.31Å; N3356-I3358 WeakPolarHBondContact OD1-CG1 3.5Å; I3358-L3360 PolarHBondContact O-N 2.9Å; I3358-L3360 VanDerWaalsContact O-N 3.08Å; I3358-L3361 HydrophobicContact CG2-CD1 4.41Å; I3358-L3361 PolarHBondContact O-N 3.23Å; I3358-L3361 VanDerWaalsContact O-N 3.13Å; I3358-S3455 WeakPolarHBondContact CD1-O 3.23Å; I3358-S3455 WeakPolarHBondContact CD1-OG 3.35Å; I3358-S3455 WeakPolarHBondContact CG1-OG 3.34Å; I3358-S3459 VanDerWaalsContact CD1-CB 3.47Å; I3358-S3459 WeakPolarHBondContact CD1-OG 3.21Å; I3358-S3459 VanDerWaalsContact CG1-OG 3.28Å; I3358-S3459 WeakPolarHBondContact CG1-OG 3.34Å; I3358-S3459 WeakPolarHBondContact CG2-OG 3.46Å |
| 3359 | E | 56.1 | Low | 69.1 | Low | 69.2 Ų | 69.2 | 22.8 Ų | 22.8 | 32% | 0.323 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -11.5 | -174.8 | -72.7 | 179.7 | 159.9 | 0 | 0 | 113.2 | K3231 Q3317 N3356 P3357 R3407 | K3231-E3359 WeakPolarHBondContact CE-OE1 3.39Å; K3231-E3359 VanDerWaalsContact CE-OE2 3.23Å; K3231-E3359 WeakPolarHBondContact CE-OE2 3.39Å; K3231-E3359 IonicContact NZ-OE1 3.35Å; K3231-E3359 PolarHBondContact NZ-OE1 3.1Å; K3231-E3359 IonicContact NZ-OE2 3.31Å; Q3317-E3359 PolarHBondContact NE2-OE2 3.11Å; Q3317-E3359 VanDerWaalsContact NE2-OE2 3.08Å; Q3317-E3359 PolarHBondContact OE1-OE2 2.89Å; N3356-E3359 PolarHBondContact ND2-OE2 3.12Å; N3356-E3359 PolarHBondContact OD1-N 2.65Å; P3357-E3359 WeakPolarHBondContact O-CG 3.46Å; P3357-E3359 PolarHBondContact O-N 3.21Å; E3359-R3407 IonicContact OE1-CZ 3.84Å; E3359-R3407 IonicContact OE1-NH1 3.81Å; E3359-R3407 IonicContact OE1-NH2 2.9Å; E3359-R3407 PolarHBondContact OE1-NH2 2.97Å; E3359-R3407 IonicContact OE2-CZ 2.7Å; E3359-R3407 IonicContact OE2-NH1 2.66Å; E3359-R3407 PolarHBondContact OE2-NH1 3.31Å; E3359-R3407 IonicContact OE2-NH2 3.17Å; E3359-R3407 PolarHBondContact OE2-NH2 3.16Å |
| 3360 | L | 54.3 | Low | 69.1 | Low | 34.8 Ų | 34.8 | 22.9 Ų | 22.9 | 18% | 0.182 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -1.9 | -177.2 | -64 | 158.3 | 0 | 0 | 0 | 113.4 | V3353 N3356 P3357 I3358 A3362 A3400 L3401 | V3353-L3360 HydrophobicContact CB-CD1 4.07Å; V3353-L3360 HydrophobicContact CG1-CD1 3.92Å; V3353-L3360 HydrophobicContact CG2-CD1 4.12Å; N3356-L3360 HydrophobicContact CB-CD1 4.46Å; N3356-L3360 VanDerWaalsContact O-CD1 3.31Å; N3356-L3360 WeakPolarHBondContact O-CD1 3.38Å; N3356-L3360 WeakPolarHBondContact O-CG 3.37Å; P3357-L3360 CarbonylContact O-C 3.57Å; P3357-L3360 PolarHBondContact O-N 2.99Å; I3358-L3360 PolarHBondContact O-N 2.9Å; I3358-L3360 VanDerWaalsContact O-N 3.08Å; L3360-A3362 HydrophobicContact CB-CB 4.47Å; L3360-A3362 PolarHBondContact O-N 3.32Å; L3360-A3362 VanDerWaalsContact O-N 3.07Å; L3360-A3400 WeakPolarHBondContact CD2-O 3.41Å; L3360-L3401 HydrophobicContact CD1-CD2 3.5Å; L3360-L3401 VanDerWaalsContact CD1-CD2 3.46Å; L3360-L3401 HydrophobicContact CD1-CG 3.83Å; L3360-L3401 VanDerWaalsContact CD2-CA 3.43Å; L3360-L3401 HydrophobicContact CD2-CB 4.05Å; L3360-L3401 HydrophobicContact CD2-CD2 3.64Å; L3360-L3401 HydrophobicContact CD2-CG 3.62Å; L3360-L3401 VanDerWaalsContact CD2-CG 3.48Å; L3360-L3401 HydrophobicContact CG-CD2 4.18Å; L3360-L3401 HydrophobicContact CG-CG 4.33Å |
| 3361 | L | 54.6 | Low | 69.1 | Low | 64.4 Ų | 64.4 | 22.7 Ų | 22.7 | 34% | 0.337 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 36.7 | 41.7 | -173.3 | -60.6 | 168.5 | 0 | 0 | 0 | 112.3 | P3357 I3358 E3363 L3406 T3410 W3456 | P3357-L3361 PolarHBondContact O-N 2.97Å; P3357-L3361 VanDerWaalsContact O-N 3.15Å; I3358-L3361 HydrophobicContact CG2-CD1 4.41Å; I3358-L3361 PolarHBondContact O-N 3.23Å; I3358-L3361 VanDerWaalsContact O-N 3.13Å; L3361-E3363 PolarHBondContact O-N 3.37Å; L3361-E3363 VanDerWaalsContact O-N 3.08Å; L3361-L3406 HydrophobicContact CD1-CB 4.21Å; L3361-L3406 HydrophobicContact CD1-CD2 4.34Å; L3361-T3410 HydrophobicContact CD1-CG2 3.83Å; L3361-T3410 VanDerWaalsContact CD1-CG2 3.49Å; L3361-T3410 HydrophobicContact CD2-CG2 4Å; L3361-T3410 VanDerWaalsContact CD2-OG1 3.31Å; L3361-T3410 WeakPolarHBondContact CD2-OG1 3.23Å; L3361-T3410 HydrophobicContact CG-CG2 4.37Å; L3361-W3456 HydrophobicContact CD2-CH2 3.87Å; L3361-W3456 HydrophobicContact CD2-CZ2 4.28Å |
| 3362 | A | 60.9 | Low | 69.2 | Low | 4.6 Ų | 4.6 | 23.2 Ų | 23.2 | 4% | 0.038 | 11% | 0.112 | C | C | . | . | trans | -58.1 | 106 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | V3353 P3357 L3360 L3365 R3366 T3452 W3456 | V3353-A3362 HydrophobicContact CG1-CB 4.24Å; P3357-A3362 HydrophobicContact CB-CB 3.97Å; P3357-A3362 VanDerWaalsContact O-CB 3.27Å; P3357-A3362 WeakPolarHBondContact O-CB 3.33Å; P3357-A3362 PolarHBondContact O-N 3.25Å; L3360-A3362 HydrophobicContact CB-CB 4.47Å; L3360-A3362 PolarHBondContact O-N 3.32Å; L3360-A3362 VanDerWaalsContact O-N 3.07Å; A3362-L3365 HydrophobicContact CB-CB 3.76Å; A3362-L3365 HydrophobicContact CB-CD1 3.66Å; A3362-L3365 HydrophobicContact CB-CG 3.71Å; A3362-L3365 WeakPolarHBondContact O-CA 3.27Å; A3362-L3365 PolarHBondContact O-N 3.31Å; A3362-R3366 PolarHBondContact O-N 2.83Å; A3362-T3452 WeakPolarHBondContact O-CG2 3.31Å; A3362-W3456 PolarHBondContact O-NE1 3.17Å | ||
| 3363 | E | 71.9 | Confident | 69.3 | Low | 18 Ų | 18 | 23.1 Ų | 23.1 | 8% | 0.084 | 11% | 0.112 | C | C | . | . | trans | -64.5 | 162.6 | 169.9 | -62.6 | 174.2 | -146.1 | 0 | 0 | 111.3 | L3361 L3365 R3366 A3367 I3417 N3712 R3714 | L3361-E3363 PolarHBondContact O-N 3.37Å; L3361-E3363 VanDerWaalsContact O-N 3.08Å; E3363-L3365 VanDerWaalsContact C-N 3.3Å; E3363-L3365 HydrophobicContact CG-CB 4.24Å; E3363-L3365 PolarHBondContact O-N 3.15Å; E3363-L3365 VanDerWaalsContact O-N 3.1Å; E3363-R3366 HydrophobicContact CG-CB 3.96Å; E3363-R3366 WeakPolarHBondContact O-CB 3.34Å; E3363-R3366 PolarHBondContact O-N 3.1Å; E3363-A3367 PolarHBondContact O-N 3.31Å; E3363-A3367 VanDerWaalsContact O-N 3.09Å; E3363-I3417 HydrophobicContact CG-CD1 4.22Å; E3363-I3417 HydrophobicContact CG-CG1 4.19Å; E3363-I3417 HydrophobicContact CG-CG2 4.4Å; E3363-N3712 VanDerWaalsContact CD-ND2 3.28Å; E3363-N3712 PolarHBondContact OE1-ND2 3.26Å; E3363-N3712 PolarHBondContact OE2-ND2 3.08Å; E3363-R3714 VanDerWaalsContact CD-CZ 3.48Å; E3363-R3714 IonicContact OE1-CZ 3.62Å; E3363-R3714 IonicContact OE1-NH1 3.61Å; E3363-R3714 PolarHBondContact OE1-NH1 3.29Å; E3363-R3714 VanDerWaalsContact OE1-NH1 3.12Å; E3363-R3714 IonicContact OE1-NH2 2.64Å; E3363-R3714 PolarHBondContact OE1-NH2 2.96Å; E3363-R3714 IonicContact OE2-CZ 3.19Å; E3363-R3714 VanDerWaalsContact OE2-CZ 3.26Å; E3363-R3714 IonicContact OE2-NE 2.59Å; E3363-R3714 IonicContact OE2-NH1 3.05Å; E3363-R3714 PolarHBondContact OE2-NH1 3.14Å; E3363-R3714 IonicContact OE2-NH2 3.41Å | ||
| 3364 | P | 74.7 | Confident | 69.4 | Low | 0.6 Ų | 0.6 | 23 Ų | 23 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -55.5 | -35.6 | -179.6 | -17.7 | 21.9 | 0 | 0 | 0 | 114.2 | A3367 K3368 Q3420 C3421 V3424 A3449 T3452 S3453 | P3364-A3367 PolarHBondContact O-N 3.09Å; P3364-K3368 WeakPolarHBondContact O-CB 3.27Å; P3364-K3368 PolarHBondContact O-N 3.24Å; P3364-Q3420 HydrophobicContact CB-CG 4.47Å; P3364-Q3420 HydrophobicContact CG-CG 4.17Å; P3364-C3421 HydrophobicContact CG-CB 4.4Å; P3364-C3421 VanDerWaalsContact CG-SG 3.53Å; P3364-C3421 WeakPolarHBondContact CG-SG 3.29Å; P3364-V3424 HydrophobicContact CB-CB 4.37Å; P3364-V3424 HydrophobicContact CB-CG2 3.63Å; P3364-V3424 VanDerWaalsContact CB-CG2 3.47Å; P3364-V3424 HydrophobicContact CG-CG2 4.38Å; P3364-A3449 HydrophobicContact CB-CB 4.44Å; P3364-T3452 HydrophobicContact CB-CG2 4.46Å; P3364-T3452 HydrophobicContact CG-CG2 4.23Å; P3364-S3453 WeakPolarHBondContact CB-OG 3.37Å; P3364-S3453 VanDerWaalsContact CG-OG 3.28Å; P3364-S3453 WeakPolarHBondContact CG-OG 3.39Å |
| 3365 | L | 74.5 | Confident | 69.5 | Low | 29.6 Ų | 29.6 | 25.5 Ų | 25.5 | 16% | 0.155 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68 | -39.9 | 176.4 | -116.4 | 156.5 | 0 | 0 | 0 | 112.5 | A3362 E3363 A3367 K3368 Q3369 Y3704 H3705 I3708 | A3362-L3365 HydrophobicContact CB-CB 3.76Å; A3362-L3365 HydrophobicContact CB-CD1 3.66Å; A3362-L3365 HydrophobicContact CB-CG 3.71Å; A3362-L3365 WeakPolarHBondContact O-CA 3.27Å; A3362-L3365 PolarHBondContact O-N 3.31Å; E3363-L3365 VanDerWaalsContact C-N 3.3Å; E3363-L3365 HydrophobicContact CG-CB 4.24Å; E3363-L3365 PolarHBondContact O-N 3.15Å; E3363-L3365 VanDerWaalsContact O-N 3.1Å; L3365-A3367 VanDerWaalsContact C-N 3.31Å; L3365-A3367 PolarHBondContact O-N 2.7Å; L3365-K3368 WeakPolarHBondContact O-CB 3.3Å; L3365-K3368 PolarHBondContact O-N 3.23Å; L3365-K3368 VanDerWaalsContact O-N 3.17Å; L3365-Q3369 HydrophobicContact CD2-CG 4.46Å; L3365-Q3369 VanDerWaalsContact O-CG 3.29Å; L3365-Q3369 WeakPolarHBondContact O-CG 3.42Å; L3365-Q3369 PolarHBondContact O-N 3.02Å; L3365-Y3704 HydrophobicContact CD2-CE1 4.45Å; L3365-H3705 VanDerWaalsContact CD1-CA 3.44Å; L3365-H3705 HydrophobicContact CD1-CB 3.56Å; L3365-H3705 HydrophobicContact CD2-CB 4.2Å; L3365-H3705 WeakPolarHBondContact CD2-ND1 3.45Å; L3365-I3708 HydrophobicContact CB-CD1 4.44Å; L3365-I3708 HydrophobicContact CB-CG2 4.45Å; L3365-I3708 HydrophobicContact CD1-CB 3.67Å; L3365-I3708 VanDerWaalsContact CD1-CB 3.48Å; L3365-I3708 HydrophobicContact CD1-CD1 3.73Å; L3365-I3708 HydrophobicContact CD1-CG1 4.24Å; L3365-I3708 HydrophobicContact CD1-CG2 3.7Å; L3365-I3708 HydrophobicContact CD2-CD1 4.24Å; L3365-I3708 HydrophobicContact CG-CB 4.48Å; L3365-I3708 HydrophobicContact CG-CD1 4.04Å; L3365-I3708 HydrophobicContact CG-CG2 4.16Å |
| 3366 | R | 74.7 | Confident | 69.7 | Low | 45.4 Ų | 45.4 | 25.3 Ų | 25.3 | 17% | 0.171 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.8 | -40.1 | 177.5 | -167.9 | 135.3 | 177.9 | 175.1 | 1 | 110.8 | V3353 A3362 E3363 K3368 Q3369 I3370 S3393 Q3396 S3397 | V3353-R3366 PolarHBondContact O-NE 3.47Å; V3353-R3366 PolarHBondContact O-NH2 3.25Å; A3362-R3366 PolarHBondContact O-N 2.83Å; E3363-R3366 HydrophobicContact CG-CB 3.96Å; E3363-R3366 WeakPolarHBondContact O-CB 3.34Å; E3363-R3366 PolarHBondContact O-N 3.1Å; R3366-K3368 VanDerWaalsContact C-N 3.32Å; R3366-K3368 PolarHBondContact O-N 3.32Å; R3366-Q3369 VanDerWaalsContact CD-OE1 3.31Å; R3366-Q3369 PolarHBondContact O-N 3.04Å; R3366-I3370 HydrophobicContact CG-CD1 4.24Å; R3366-I3370 WeakPolarHBondContact O-CB 3.32Å; R3366-I3370 VanDerWaalsContact O-CG1 3.27Å; R3366-I3370 WeakPolarHBondContact O-CG1 3.33Å; R3366-I3370 PolarHBondContact O-N 3.03Å; R3366-S3393 VanDerWaalsContact CZ-OG 3.26Å; R3366-S3393 PolarHBondContact NH1-OG 3.18Å; R3366-S3393 VanDerWaalsContact NH1-OG 3.16Å; R3366-S3393 PolarHBondContact NH2-O 3.29Å; R3366-S3393 PolarHBondContact NH2-OG 3.19Å; R3366-Q3396 VanDerWaalsContact NH2-CB 3.25Å; R3366-S3397 PolarHBondContact NE-OG 3.19Å; R3366-S3397 VanDerWaalsContact NH2-N 3.14Å; R3366-S3397 PolarHBondContact NH2-OG 3.2Å; R3366-S3397 VanDerWaalsContact NH2-OG 3.09Å |
| 3367 | A | 76.8 | Confident | 69.8 | Low | 0.6 Ų | 0.6 | 25.1 Ų | 25.1 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.3 | -41 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | L3354 E3363 P3364 L3365 I3370 A3371 L3398 A3448 T3452 | L3354-A3367 HydrophobicContact CD2-CB 3.82Å; L3354-A3367 WeakPolarHBondContact CD2-O 3.33Å; E3363-A3367 PolarHBondContact O-N 3.31Å; E3363-A3367 VanDerWaalsContact O-N 3.09Å; P3364-A3367 PolarHBondContact O-N 3.09Å; L3365-A3367 VanDerWaalsContact C-N 3.31Å; L3365-A3367 PolarHBondContact O-N 2.7Å; A3367-I3370 WeakPolarHBondContact O-CB 3.33Å; A3367-I3370 PolarHBondContact O-N 3.16Å; A3367-A3371 WeakPolarHBondContact O-CB 3.24Å; A3367-A3371 PolarHBondContact O-N 2.99Å; A3367-L3398 HydrophobicContact CB-CD2 4.43Å; A3367-A3448 HydrophobicContact CB-CB 4.31Å; A3367-A3448 WeakPolarHBondContact O-CB 3.21Å; A3367-T3452 HydrophobicContact CB-CG2 4.26Å; A3367-T3452 WeakPolarHBondContact CB-OG1 3.25Å |
| 3368 | K | 78.6 | Confident | 70 | Confident | 28.2 Ų | 28.2 | 25.8 Ų | 25.8 | 12% | 0.123 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.4 | -47.1 | 173.9 | -167.1 | 171.2 | 175.5 | 155.5 | 0 | 112.3 | P3364 L3365 R3366 I3370 A3371 Y3372 E3445 D3446 A3449 E3701 H3705 | P3364-K3368 WeakPolarHBondContact O-CB 3.27Å; P3364-K3368 PolarHBondContact O-N 3.24Å; L3365-K3368 WeakPolarHBondContact O-CB 3.3Å; L3365-K3368 PolarHBondContact O-N 3.23Å; L3365-K3368 VanDerWaalsContact O-N 3.17Å; R3366-K3368 VanDerWaalsContact C-N 3.32Å; R3366-K3368 PolarHBondContact O-N 3.32Å; K3368-I3370 VanDerWaalsContact C-N 3.34Å; K3368-I3370 PolarHBondContact O-N 3.14Å; K3368-A3371 PolarHBondContact O-N 3.22Å; K3368-Y3372 WeakPolarHBondContact O-CB 3.35Å; K3368-Y3372 PolarHBondContact O-N 3.19Å; K3368-E3445 HydrophobicContact CD-CB 4.43Å; K3368-E3445 HydrophobicContact CG-CB 3.75Å; K3368-E3445 HydrophobicContact CG-CG 4.39Å; K3368-E3445 WeakPolarHBondContact CG-O 3.24Å; K3368-D3446 WeakPolarHBondContact CE-OD1 3.44Å; K3368-D3446 IonicContact NZ-OD1 3.35Å; K3368-D3446 PolarHBondContact NZ-OD1 3.03Å; K3368-A3449 HydrophobicContact CB-CB 4.26Å; K3368-A3449 HydrophobicContact CD-CB 4.32Å; K3368-E3701 IonicContact NZ-OE1 2.88Å; K3368-E3701 PolarHBondContact NZ-OE1 3.18Å; K3368-E3701 IonicContact NZ-OE2 3.11Å; K3368-E3701 PolarHBondContact NZ-OE2 2.65Å; K3368-H3705 VanDerWaalsContact CD-CE1 3.49Å; K3368-H3705 WeakPolarHBondContact CD-CE1 3.47Å; K3368-H3705 PolarHBondContact NZ-NE2 3.48Å |
| 3369 | Q | 75.4 | Confident | 70.3 | Confident | 38.2 Ų | 38.2 | 29.5 Ų | 29.5 | 18% | 0.179 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.1 | -43.7 | 175.5 | -73 | 176 | -12.5 | 0 | 0 | 112 | L3328 L3365 R3366 A3371 Y3372 I3373 W3717 | L3328-Q3369 HydrophobicContact CD2-CG 3.94Å; L3365-Q3369 HydrophobicContact CD2-CG 4.46Å; L3365-Q3369 VanDerWaalsContact O-CG 3.29Å; L3365-Q3369 WeakPolarHBondContact O-CG 3.42Å; L3365-Q3369 PolarHBondContact O-N 3.02Å; R3366-Q3369 VanDerWaalsContact CD-OE1 3.31Å; R3366-Q3369 PolarHBondContact O-N 3.04Å; Q3369-A3371 VanDerWaalsContact C-N 3.35Å; Q3369-A3371 PolarHBondContact O-N 3.36Å; Q3369-Y3372 WeakPolarHBondContact O-CB 3.39Å; Q3369-Y3372 PolarHBondContact O-N 3.04Å; Q3369-I3373 WeakPolarHBondContact O-CD1 3.36Å; Q3369-I3373 VanDerWaalsContact O-CG1 3.28Å; Q3369-I3373 WeakPolarHBondContact O-CG1 3.24Å; Q3369-I3373 PolarHBondContact O-N 3.26Å; Q3369-W3717 HydrophobicContact CB-CH2 4.24Å; Q3369-W3717 HydrophobicContact CB-CZ2 3.62Å; Q3369-W3717 HydrophobicContact CG-CH2 4.22Å; Q3369-W3717 HydrophobicContact CG-CZ2 3.65Å |
| 3370 | I | 76.6 | Confident | 70.5 | Confident | 3.2 Ų | 3.2 | 31.1 Ų | 31.1 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 176.6 | -71.9 | 167.6 | 0 | 0 | 0 | 110.7 | L3350 V3353 L3354 R3366 A3367 K3368 Y3372 I3373 I3374 I3394 L3398 | L3350-I3370 HydrophobicContact CB-CG2 3.96Å; L3350-I3370 HydrophobicContact CD2-CG1 4.33Å; L3350-I3370 HydrophobicContact CD2-CG2 4.04Å; L3350-I3370 HydrophobicContact CG-CG2 4.38Å; V3353-I3370 HydrophobicContact CB-CD1 4.09Å; V3353-I3370 HydrophobicContact CG1-CD1 3.65Å; V3353-I3370 HydrophobicContact CG1-CG1 3.53Å; V3353-I3370 HydrophobicContact CG2-CD1 4.44Å; L3354-I3370 HydrophobicContact CD1-CG2 4.19Å; L3354-I3370 HydrophobicContact CD2-CB 4.13Å; L3354-I3370 HydrophobicContact CD2-CG2 3.9Å; L3354-I3370 HydrophobicContact CG-CG2 3.87Å; R3366-I3370 HydrophobicContact CG-CD1 4.24Å; R3366-I3370 WeakPolarHBondContact O-CB 3.32Å; R3366-I3370 VanDerWaalsContact O-CG1 3.27Å; R3366-I3370 WeakPolarHBondContact O-CG1 3.33Å; R3366-I3370 PolarHBondContact O-N 3.03Å; A3367-I3370 WeakPolarHBondContact O-CB 3.33Å; A3367-I3370 PolarHBondContact O-N 3.16Å; K3368-I3370 VanDerWaalsContact C-N 3.34Å; K3368-I3370 PolarHBondContact O-N 3.14Å; I3370-Y3372 VanDerWaalsContact C-N 3.32Å; I3370-Y3372 PolarHBondContact O-N 3.11Å; I3370-I3373 CarbonylContact O-C 3.45Å; I3370-I3373 WeakPolarHBondContact O-CB 3.44Å; I3370-I3373 PolarHBondContact O-N 2.86Å; I3370-I3373 VanDerWaalsContact O-N 3.09Å; I3370-I3374 HydrophobicContact CG2-CD1 3.84Å; I3370-I3374 HydrophobicContact CG2-CG1 4.39Å; I3370-I3374 VanDerWaalsContact O-CG1 3.29Å; I3370-I3374 WeakPolarHBondContact O-CG1 3.3Å; I3370-I3374 PolarHBondContact O-N 3.38Å; I3370-I3394 HydrophobicContact CG2-CG2 3.47Å; I3370-I3394 VanDerWaalsContact CG2-CG2 3.47Å; I3370-L3398 HydrophobicContact CB-CD2 4.4Å; I3370-L3398 HydrophobicContact CD1-CD2 4.33Å; I3370-L3398 HydrophobicContact CG2-CD1 4.05Å; I3370-L3398 HydrophobicContact CG2-CD2 3.84Å; I3370-L3398 HydrophobicContact CG2-CG 3.92Å |
| 3371 | A | 77.2 | Confident | 70.7 | Confident | 0.2 Ų | 0.2 | 30.9 Ų | 30.9 | 0% | 0.002 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.2 | -35.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L3354 A3367 K3368 Q3369 I3374 K3375 K3444 E3445 A3448 | L3354-A3371 HydrophobicContact CD1-CB 4.08Å; A3367-A3371 WeakPolarHBondContact O-CB 3.24Å; A3367-A3371 PolarHBondContact O-N 2.99Å; K3368-A3371 PolarHBondContact O-N 3.22Å; Q3369-A3371 VanDerWaalsContact C-N 3.35Å; Q3369-A3371 PolarHBondContact O-N 3.36Å; A3371-I3374 WeakPolarHBondContact O-CB 3.31Å; A3371-I3374 PolarHBondContact O-N 3.19Å; A3371-K3375 VanDerWaalsContact O-CB 3.28Å; A3371-K3375 WeakPolarHBondContact O-CB 3.32Å; A3371-K3375 PolarHBondContact O-N 3.17Å; A3371-K3444 HydrophobicContact CB-CB 4.46Å; A3371-E3445 HydrophobicContact CB-CG 4.46Å; A3371-A3448 HydrophobicContact CB-CB 3.49Å; A3371-A3448 VanDerWaalsContact CB-CB 3.45Å |
| 3372 | Y | 76.7 | Confident | 71.1 | Confident | 38.8 Ų | 38.8 | 31.8 Ų | 31.8 | 15% | 0.152 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.5 | -45.1 | 171.1 | -179 | -94.1 | 0 | 0 | 0 | 111.6 | L3328 I3331 K3332 K3368 Q3369 I3370 I3374 K3375 N3376 E3445 L3664 W3717 | L3328-Y3372 HydrophobicContact CD1-CD1 3.72Å; L3328-Y3372 HydrophobicContact CD1-CE1 4.23Å; I3331-Y3372 VanDerWaalsContact C-OH 3.29Å; I3331-Y3372 HydrophobicContact CB-CE1 4.19Å; I3331-Y3372 HydrophobicContact CG2-CE1 3.6Å; I3331-Y3372 PolarHBondContact O-OH 3.07Å; I3331-Y3372 VanDerWaalsContact O-OH 3.07Å; K3332-Y3372 WeakPolarHBondContact CA-OH 3.19Å; K3332-Y3372 HydrophobicContact CG-CE1 3.79Å; K3332-Y3372 HydrophobicContact CG-CE2 4.42Å; K3332-Y3372 PolarHBondContact N-OH 3.5Å; K3368-Y3372 WeakPolarHBondContact O-CB 3.35Å; K3368-Y3372 PolarHBondContact O-N 3.19Å; Q3369-Y3372 WeakPolarHBondContact O-CB 3.39Å; Q3369-Y3372 PolarHBondContact O-N 3.04Å; I3370-Y3372 VanDerWaalsContact C-N 3.32Å; I3370-Y3372 PolarHBondContact O-N 3.11Å; Y3372-I3374 PolarHBondContact O-N 3.2Å; Y3372-K3375 WeakPolarHBondContact O-CB 3.32Å; Y3372-K3375 PolarHBondContact O-N 3.04Å; Y3372-N3376 WeakPolarHBondContact CE1-ND2 3.35Å; Y3372-N3376 VanDerWaalsContact CZ-ND2 3.29Å; Y3372-N3376 WeakPolarHBondContact O-CB 3.37Å; Y3372-N3376 PolarHBondContact O-N 3.07Å; Y3372-N3376 PolarHBondContact O-ND2 3.17Å; Y3372-N3376 PolarHBondContact OH-ND2 3.14Å; Y3372-N3376 VanDerWaalsContact OH-ND2 3.15Å; Y3372-E3445 HydrophobicContact CD2-CG 4.48Å; Y3372-E3445 WeakPolarHBondContact CD2-OE1 3.31Å; Y3372-L3664 HydrophobicContact CE1-CD1 3.8Å; Y3372-L3664 HydrophobicContact CE1-CD2 4.21Å; Y3372-W3717 HydrophobicContact CD1-CZ2 4.3Å |
| 3373 | I | 74.6 | Confident | 71.1 | Confident | 1.8 Ų | 1.8 | 37.6 Ų | 37.6 | 1% | 0.009 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.9 | -49 | 174.3 | -69.3 | 163.6 | 0 | 0 | 0 | 110.2 | L3328 V3346 L3350 V3353 Q3369 I3370 K3375 N3376 L3377 L3384 I3390 I3394 W3717 | L3328-I3373 HydrophobicContact CD1-CD1 4.31Å; L3328-I3373 HydrophobicContact CD1-CG1 4Å; V3346-I3373 HydrophobicContact CG1-CG2 4.32Å; L3350-I3373 HydrophobicContact CD1-CG2 3.78Å; V3353-I3373 HydrophobicContact CG2-CD1 3.77Å; Q3369-I3373 WeakPolarHBondContact O-CD1 3.36Å; Q3369-I3373 VanDerWaalsContact O-CG1 3.28Å; Q3369-I3373 WeakPolarHBondContact O-CG1 3.24Å; Q3369-I3373 PolarHBondContact O-N 3.26Å; I3370-I3373 CarbonylContact O-C 3.45Å; I3370-I3373 WeakPolarHBondContact O-CB 3.44Å; I3370-I3373 PolarHBondContact O-N 2.86Å; I3370-I3373 VanDerWaalsContact O-N 3.09Å; I3373-K3375 VanDerWaalsContact C-N 3.3Å; I3373-K3375 PolarHBondContact O-N 3.18Å; I3373-N3376 PolarHBondContact O-N 3.23Å; I3373-N3376 VanDerWaalsContact O-N 3.16Å; I3373-L3377 HydrophobicContact CG2-CD1 3.63Å; I3373-L3377 HydrophobicContact CG2-CG 4.04Å; I3373-L3377 VanDerWaalsContact O-CB 3.23Å; I3373-L3377 WeakPolarHBondContact O-CB 3.33Å; I3373-L3377 VanDerWaalsContact O-CG 3.29Å; I3373-L3377 WeakPolarHBondContact O-CG 3.29Å; I3373-L3377 PolarHBondContact O-N 3.25Å; I3373-L3384 HydrophobicContact CB-CD2 4.36Å; I3373-L3384 HydrophobicContact CG1-CD2 4.21Å; I3373-L3384 HydrophobicContact CG2-CD2 4.17Å; I3373-I3390 HydrophobicContact CD1-CG2 4.08Å; I3373-I3390 HydrophobicContact CG1-CG2 4.26Å; I3373-I3390 HydrophobicContact CG2-CG2 4.44Å; I3373-I3394 HydrophobicContact CD1-CD1 4.45Å; I3373-I3394 HydrophobicContact CD1-CG1 4.21Å; I3373-I3394 HydrophobicContact CG2-CD1 3.97Å; I3373-I3394 HydrophobicContact CG2-CG1 4.31Å; I3373-W3717 HydrophobicContact CD1-CH2 3.89Å; I3373-W3717 HydrophobicContact CD1-CZ2 4.28Å; I3373-W3717 HydrophobicContact CD1-CZ3 4.3Å; I3373-W3717 HydrophobicContact CG1-CH2 4.19Å; I3373-W3717 HydrophobicContact CG1-CZ2 4.43Å; I3373-W3717 HydrophobicContact CG1-CZ3 4.2Å |
| 3374 | I | 74.5 | Confident | 70.7 | Confident | 4.4 Ų | 4.4 | 37.6 Ų | 37.6 | 2% | 0.023 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.6 | -43.5 | 176.6 | -68.1 | 166.1 | 0 | 0 | 0 | 110.8 | L3347 L3350 E3351 L3354 I3370 A3371 Y3372 N3376 L3377 N3378 I3394 L3398 | L3347-I3374 HydrophobicContact CD2-CG2 4.46Å; L3347-I3374 HydrophobicContact CG-CG2 4.4Å; L3350-I3374 HydrophobicContact CB-CD1 3.87Å; L3350-I3374 HydrophobicContact CB-CG1 3.84Å; L3350-I3374 HydrophobicContact CD1-CG1 4.31Å; E3351-I3374 HydrophobicContact CG-CD1 4.07Å; L3354-I3374 HydrophobicContact CD1-CD1 3.62Å; L3354-I3374 HydrophobicContact CG-CD1 4.36Å; I3370-I3374 HydrophobicContact CG2-CD1 3.84Å; I3370-I3374 HydrophobicContact CG2-CG1 4.39Å; I3370-I3374 VanDerWaalsContact O-CG1 3.29Å; I3370-I3374 WeakPolarHBondContact O-CG1 3.3Å; I3370-I3374 PolarHBondContact O-N 3.38Å; A3371-I3374 WeakPolarHBondContact O-CB 3.31Å; A3371-I3374 PolarHBondContact O-N 3.19Å; Y3372-I3374 PolarHBondContact O-N 3.2Å; I3374-N3376 VanDerWaalsContact C-N 3.3Å; I3374-N3376 PolarHBondContact O-N 3Å; I3374-L3377 PolarHBondContact O-N 2.98Å; I3374-N3378 WeakPolarHBondContact CG2-ND2 3.38Å; I3374-N3378 VanDerWaalsContact O-CB 3.23Å; I3374-N3378 WeakPolarHBondContact O-CB 3.29Å; I3374-N3378 VanDerWaalsContact O-CG 3.27Å; I3374-N3378 PolarHBondContact O-N 3.16Å; I3374-N3378 VanDerWaalsContact O-N 3.12Å; I3374-N3378 PolarHBondContact O-ND2 3.12Å; I3374-I3394 HydrophobicContact CD1-CG2 3.47Å; I3374-I3394 VanDerWaalsContact CD1-CG2 3.47Å; I3374-I3394 HydrophobicContact CG1-CD1 3.95Å; I3374-I3394 HydrophobicContact CG1-CG2 3.71Å; I3374-L3398 HydrophobicContact CD1-CD1 4.1Å |
| 3375 | K | 73.1 | Confident | 70.1 | Confident | 70.4 Ų | 70.4 | 39 Ų | 39 | 31% | 0.306 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.9 | -45.5 | 178.3 | -179 | -172.2 | 173.9 | -165.3 | 0 | 111.5 | A3371 Y3372 I3373 N3378 H3379 K3444 E3445 | A3371-K3375 VanDerWaalsContact O-CB 3.28Å; A3371-K3375 WeakPolarHBondContact O-CB 3.32Å; A3371-K3375 PolarHBondContact O-N 3.17Å; Y3372-K3375 WeakPolarHBondContact O-CB 3.32Å; Y3372-K3375 PolarHBondContact O-N 3.04Å; I3373-K3375 VanDerWaalsContact C-N 3.3Å; I3373-K3375 PolarHBondContact O-N 3.18Å; K3375-N3378 WeakPolarHBondContact O-CB 3.47Å; K3375-N3378 PolarHBondContact O-N 3.09Å; K3375-H3379 PolarHBondContact O-N 2.87Å; K3375-H3379 VanDerWaalsContact O-N 3.17Å; K3375-H3379 PolarHBondContact O-ND1 2.94Å; K3375-K3444 HydrophobicContact CB-CD 4.03Å; K3375-K3444 HydrophobicContact CG-CD 4.4Å; K3375-E3445 WeakPolarHBondContact CD-OE1 3.36Å; K3375-E3445 WeakPolarHBondContact CE-OE1 3.32Å; K3375-E3445 IonicContact NZ-OE1 2.95Å; K3375-E3445 PolarHBondContact NZ-OE1 3.39Å |
| 3376 | N | 71.4 | Confident | 69.4 | Low | 12.2 Ų | 12.2 | 42.8 Ų | 42.8 | 7% | 0.065 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -75.6 | -38.6 | -178.7 | -74.5 | -5.7 | 0 | 0 | 0 | 112.6 | I3331 V3346 Y3372 I3373 I3374 N3378 H3379 F3380 L3384 | I3331-N3376 HydrophobicContact CG2-CB 3.96Å; I3331-N3376 VanDerWaalsContact CG2-ND2 3.33Å; I3331-N3376 WeakPolarHBondContact CG2-ND2 3.39Å; V3346-N3376 HydrophobicContact CG2-CB 4.26Å; Y3372-N3376 WeakPolarHBondContact CE1-ND2 3.35Å; Y3372-N3376 VanDerWaalsContact CZ-ND2 3.29Å; Y3372-N3376 WeakPolarHBondContact O-CB 3.37Å; Y3372-N3376 PolarHBondContact O-N 3.07Å; Y3372-N3376 PolarHBondContact O-ND2 3.17Å; Y3372-N3376 PolarHBondContact OH-ND2 3.14Å; Y3372-N3376 VanDerWaalsContact OH-ND2 3.15Å; I3373-N3376 PolarHBondContact O-N 3.23Å; I3373-N3376 VanDerWaalsContact O-N 3.16Å; I3374-N3376 VanDerWaalsContact C-N 3.3Å; I3374-N3376 PolarHBondContact O-N 3Å; N3376-N3378 VanDerWaalsContact C-N 3.26Å; N3376-N3378 PolarHBondContact O-N 3.2Å; N3376-H3379 WeakPolarHBondContact O-CB 3.46Å; N3376-H3379 PolarHBondContact O-N 3Å; N3376-H3379 VanDerWaalsContact O-N 3.08Å; N3376-F3380 HydrophobicContact CB-CD2 4.08Å; N3376-F3380 HydrophobicContact CB-CE2 4.42Å; N3376-F3380 WeakPolarHBondContact O-CB 3.35Å; N3376-F3380 WeakPolarHBondContact O-CD2 3.32Å; N3376-F3380 PolarHBondContact O-N 3.15Å; N3376-L3384 HydrophobicContact CB-CD1 4.02Å; N3376-L3384 HydrophobicContact CB-CD2 3.73Å; N3376-L3384 HydrophobicContact CB-CG 4.34Å |
| 3377 | L | 69.9 | Low | 68.9 | Low | 3.6 Ų | 3.6 | 43.1 Ų | 43.1 | 2% | 0.019 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -53.7 | -43.4 | 169.6 | -75.5 | 174.5 | 0 | 0 | 0 | 110.7 | Y3343 V3346 L3347 L3350 I3373 I3374 H3379 F3380 G3381 L3384 L3385 I3390 I3394 | Y3343-L3377 HydrophobicContact CD2-CD2 4.24Å; Y3343-L3377 HydrophobicContact CE2-CB 3.63Å; Y3343-L3377 HydrophobicContact CE2-CD1 4.46Å; Y3343-L3377 HydrophobicContact CE2-CD2 3.83Å; Y3343-L3377 HydrophobicContact CE2-CG 4.19Å; Y3343-L3377 WeakPolarHBondContact CE2-O 3.46Å; Y3343-L3377 PolarHBondContact OH-O 3.17Å; V3346-L3377 HydrophobicContact CG1-CD1 4.48Å; V3346-L3377 HydrophobicContact CG1-CD2 3.44Å; V3346-L3377 VanDerWaalsContact CG1-CD2 3.44Å; V3346-L3377 HydrophobicContact CG1-CG 3.57Å; L3347-L3377 HydrophobicContact CD1-CB 4.38Å; L3350-L3377 HydrophobicContact CD1-CD1 4.1Å; I3373-L3377 HydrophobicContact CG2-CD1 3.63Å; I3373-L3377 HydrophobicContact CG2-CG 4.04Å; I3373-L3377 VanDerWaalsContact O-CB 3.23Å; I3373-L3377 WeakPolarHBondContact O-CB 3.33Å; I3373-L3377 VanDerWaalsContact O-CG 3.29Å; I3373-L3377 WeakPolarHBondContact O-CG 3.29Å; I3373-L3377 PolarHBondContact O-N 3.25Å; I3374-L3377 PolarHBondContact O-N 2.98Å; L3377-H3379 VanDerWaalsContact C-N 3.3Å; L3377-H3379 PolarHBondContact O-N 3.3Å; L3377-F3380 PolarHBondContact O-N 2.88Å; L3377-G3381 VanDerWaalsContact O-CA 3.3Å; L3377-G3381 WeakPolarHBondContact O-CA 3.42Å; L3377-G3381 PolarHBondContact O-N 3.18Å; L3377-L3384 HydrophobicContact CB-CD1 3.81Å; L3377-L3384 HydrophobicContact CB-CG 4.46Å; L3377-L3384 HydrophobicContact CD2-CB 4.01Å; L3377-L3384 HydrophobicContact CD2-CD2 4.16Å; L3377-L3384 HydrophobicContact CG-CD2 4.06Å; L3377-L3385 HydrophobicContact CD1-CD2 4.3Å; L3377-L3385 HydrophobicContact CD2-CD1 4.04Å; L3377-L3385 HydrophobicContact CD2-CD2 3.82Å; L3377-L3385 HydrophobicContact CD2-CG 3.63Å; L3377-L3385 VanDerWaalsContact CD2-CG 3.46Å; L3377-L3385 HydrophobicContact CG-CD2 4.46Å; L3377-I3390 HydrophobicContact CD1-CG2 3.52Å; L3377-I3390 HydrophobicContact CD2-CD1 4.17Å; L3377-I3390 HydrophobicContact CD2-CG2 4.37Å; L3377-I3394 HydrophobicContact CD1-CD1 3.85Å |
| 3378 | N | 66.1 | Low | 68.3 | Low | 30.6 Ų | 30.6 | 47.5 Ų | 47.5 | 16% | 0.164 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.8 | -21.2 | 178.3 | -81.4 | -55.4 | 0 | 0 | 0 | 114.5 | Y3343 L3347 I3374 K3375 N3376 F3380 H3502 P3503 | Y3343-N3378 WeakPolarHBondContact OH-CA 3.43Å; Y3343-N3378 PolarHBondContact OH-N 2.92Å; L3347-N3378 WeakPolarHBondContact CD1-OD1 3.46Å; I3374-N3378 WeakPolarHBondContact CG2-ND2 3.38Å; I3374-N3378 VanDerWaalsContact O-CB 3.23Å; I3374-N3378 WeakPolarHBondContact O-CB 3.29Å; I3374-N3378 VanDerWaalsContact O-CG 3.27Å; I3374-N3378 PolarHBondContact O-N 3.16Å; I3374-N3378 VanDerWaalsContact O-N 3.12Å; I3374-N3378 PolarHBondContact O-ND2 3.12Å; K3375-N3378 WeakPolarHBondContact O-CB 3.47Å; K3375-N3378 PolarHBondContact O-N 3.09Å; N3376-N3378 VanDerWaalsContact C-N 3.26Å; N3376-N3378 PolarHBondContact O-N 3.2Å; N3378-F3380 VanDerWaalsContact C-N 3.29Å; N3378-H3502 PolarHBondContact OD1-CE1 2.95Å; N3378-H3502 PolarHBondContact OD1-NE2 3.38Å; N3378-P3503 HydrophobicContact CB-CG 3.88Å; N3378-P3503 VanDerWaalsContact CB-CG 3.49Å |
| 3379 | H | 64.1 | Low | 67.5 | Low | 120.6 Ų | 120.6 | 48.1 Ų | 48.1 | 56% | 0.558 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -92.8 | -40.3 | 178.9 | -77.9 | 78.4 | 0 | 0 | 0 | 112.7 | K3375 N3376 L3377 G3381 | K3375-H3379 PolarHBondContact O-N 2.87Å; K3375-H3379 VanDerWaalsContact O-N 3.17Å; K3375-H3379 PolarHBondContact O-ND1 2.94Å; N3376-H3379 WeakPolarHBondContact O-CB 3.46Å; N3376-H3379 PolarHBondContact O-N 3Å; N3376-H3379 VanDerWaalsContact O-N 3.08Å; L3377-H3379 VanDerWaalsContact C-N 3.3Å; L3377-H3379 PolarHBondContact O-N 3.3Å; H3379-G3381 PolarHBondContact O-N 3.36Å |
| 3380 | F | 59.1 | Low | 67.1 | Low | 102.4 Ų | 102.4 | 46.4 Ų | 46.4 | 45% | 0.449 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -102 | 5.3 | -173 | -58.2 | -76.6 | 0 | 0 | 0 | 113.1 | Q3339 H3342 N3376 L3377 N3378 Y3382 W3383 | Q3339-F3380 HydrophobicContact CB-CE1 4.42Å; H3342-F3380 HydrophobicContact CB-CZ 4.24Å; H3342-F3380 AromaticContact CD2-CE2 3.71Å; H3342-F3380 AromaticContact CD2-CZ 3.61Å; N3376-F3380 HydrophobicContact CB-CD2 4.08Å; N3376-F3380 HydrophobicContact CB-CE2 4.42Å; N3376-F3380 WeakPolarHBondContact O-CB 3.35Å; N3376-F3380 WeakPolarHBondContact O-CD2 3.32Å; N3376-F3380 PolarHBondContact O-N 3.15Å; L3377-F3380 PolarHBondContact O-N 2.88Å; N3378-F3380 VanDerWaalsContact C-N 3.29Å; F3380-Y3382 PolarHBondContact O-N 3.44Å; F3380-W3383 HydrophobicContact CB-CB 4.48Å; F3380-W3383 HydrophobicContact CB-CZ2 4.19Å; F3380-W3383 PolarHBondContact O-N 2.97Å; F3380-W3383 PolarHBondContact O-NE1 2.73Å |
| 3381 | G | 58.8 | Low | 66.6 | Low | 31.8 Ų | 31.8 | 46.9 Ų | 46.9 | 33% | 0.328 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | 65.6 | -143.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L3377 H3379 W3383 | L3377-G3381 VanDerWaalsContact O-CA 3.3Å; L3377-G3381 WeakPolarHBondContact O-CA 3.42Å; L3377-G3381 PolarHBondContact O-N 3.18Å; H3379-G3381 PolarHBondContact O-N 3.36Å; G3381-W3383 VanDerWaalsContact C-N 3.34Å; G3381-W3383 PolarHBondContact O-N 3.18Å |
| 3382 | Y | 63.1 | Low | 66.2 | Low | 82 Ų | 82 | 52.6 Ų | 52.6 | 32% | 0.322 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -81.1 | -19.5 | -175 | 61.4 | -93.7 | 0 | 0 | 0 | 114.2 | Y2910 S2911 C3337 Q3339 F3380 L3384 L3385 E3386 | Y2910-Y3382 PolarHBondContact O-OH 2.96Å; S2911-Y3382 PolarHBondContact O-OH 3.44Å; S2911-Y3382 VanDerWaalsContact O-OH 3.06Å; C3337-Y3382 HydrophobicContact CB-CD1 4.27Å; C3337-Y3382 HydrophobicContact CB-CD2 3.73Å; C3337-Y3382 HydrophobicContact CB-CE1 4.18Å; C3337-Y3382 HydrophobicContact CB-CE2 3.64Å; C3337-Y3382 HydrophobicContact CB-CG 4.07Å; C3337-Y3382 VanDerWaalsContact O-CE1 3.27Å; C3337-Y3382 WeakPolarHBondContact O-CE1 3.43Å; Q3339-Y3382 HydrophobicContact CB-CD1 4.27Å; Q3339-Y3382 HydrophobicContact CB-CE1 4.48Å; Q3339-Y3382 HydrophobicContact CB-CG 4.3Å; Q3339-Y3382 VanDerWaalsContact NE2-CE2 3.33Å; Q3339-Y3382 VanDerWaalsContact OE1-CD1 3.22Å; Q3339-Y3382 VanDerWaalsContact OE1-CE1 3.23Å; Q3339-Y3382 PolarHBondContact OE1-OH 3.13Å; F3380-Y3382 PolarHBondContact O-N 3.44Å; Y3382-L3384 PolarHBondContact O-N 3.13Å; Y3382-L3384 VanDerWaalsContact O-N 3.09Å; Y3382-L3385 WeakPolarHBondContact O-CA 3.42Å; Y3382-L3385 VanDerWaalsContact O-CB 3.28Å; Y3382-L3385 WeakPolarHBondContact O-CB 3.34Å; Y3382-L3385 PolarHBondContact O-N 3.09Å; Y3382-E3386 VanDerWaalsContact CE2-OE1 3.27Å; Y3382-E3386 WeakPolarHBondContact CE2-OE1 3.11Å |
| 3383 | W | 61.7 | Low | 65.8 | Low | 126 Ų | 126 | 51.7 Ų | 51.7 | 48% | 0.477 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -58.5 | -30 | -175.6 | -82.4 | 77.7 | 0 | 0 | 0 | 113.7 | F3380 G3381 L3385 E3386 Q3387 E3663 | F3380-W3383 HydrophobicContact CB-CB 4.48Å; F3380-W3383 HydrophobicContact CB-CZ2 4.19Å; F3380-W3383 PolarHBondContact O-N 2.97Å; F3380-W3383 PolarHBondContact O-NE1 2.73Å; G3381-W3383 VanDerWaalsContact C-N 3.34Å; G3381-W3383 PolarHBondContact O-N 3.18Å; W3383-L3385 PolarHBondContact O-N 3.08Å; W3383-L3385 VanDerWaalsContact O-N 3.15Å; W3383-E3386 VanDerWaalsContact CD1-OE1 3.25Å; W3383-E3386 VanDerWaalsContact CE3-OE2 3.29Å; W3383-E3386 WeakPolarHBondContact CZ3-OE2 3.41Å; W3383-E3386 PolarHBondContact NE1-OE2 3.33Å; W3383-E3386 WeakPolarHBondContact O-CB 3.4Å; W3383-E3386 PolarHBondContact O-N 3.08Å; W3383-E3386 VanDerWaalsContact O-N 3.15Å; W3383-Q3387 PolarHBondContact O-N 3.27Å; W3383-Q3387 VanDerWaalsContact O-N 3.16Å; W3383-E3663 HydrophobicContact CH2-CB 4.13Å; W3383-E3663 HydrophobicContact CH2-CG 3.89Å; W3383-E3663 VanDerWaalsContact CH2-OE2 3.25Å; W3383-E3663 WeakPolarHBondContact CH2-OE2 3.31Å; W3383-E3663 HydrophobicContact CZ3-CG 4.49Å |
| 3384 | L | 62.5 | Low | 65.6 | Low | 18.8 Ų | 18.8 | 51.8 Ų | 51.8 | 10% | 0.098 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -64 | -24.9 | 176.2 | -152.6 | 105.1 | 0 | 0 | 0 | 112.6 | I3373 N3376 L3377 Y3382 E3386 Q3387 I3390 A3391 L3664 | I3373-L3384 HydrophobicContact CB-CD2 4.36Å; I3373-L3384 HydrophobicContact CG1-CD2 4.21Å; I3373-L3384 HydrophobicContact CG2-CD2 4.17Å; N3376-L3384 HydrophobicContact CB-CD1 4.02Å; N3376-L3384 HydrophobicContact CB-CD2 3.73Å; N3376-L3384 HydrophobicContact CB-CG 4.34Å; L3377-L3384 HydrophobicContact CB-CD1 3.81Å; L3377-L3384 HydrophobicContact CB-CG 4.46Å; L3377-L3384 HydrophobicContact CD2-CB 4.01Å; L3377-L3384 HydrophobicContact CD2-CD2 4.16Å; L3377-L3384 HydrophobicContact CG-CD2 4.06Å; Y3382-L3384 PolarHBondContact O-N 3.13Å; Y3382-L3384 VanDerWaalsContact O-N 3.09Å; L3384-E3386 VanDerWaalsContact C-N 3.33Å; L3384-Q3387 CarbonylContact O-C 3.54Å; L3384-Q3387 VanDerWaalsContact O-C 3.23Å; L3384-Q3387 WeakPolarHBondContact O-CB 3.47Å; L3384-Q3387 PolarHBondContact O-N 3.13Å; L3384-I3390 HydrophobicContact CD1-CD1 4.09Å; L3384-I3390 HydrophobicContact CD2-CB 4.49Å; L3384-I3390 HydrophobicContact CD2-CD1 4.06Å; L3384-I3390 HydrophobicContact CD2-CG2 4.21Å; L3384-I3390 HydrophobicContact CG-CD1 3.71Å; L3384-I3390 HydrophobicContact CG-CG2 4.4Å; L3384-I3390 WeakPolarHBondContact O-CD1 3.32Å; L3384-A3391 HydrophobicContact CD2-CB 3.92Å; L3384-L3664 HydrophobicContact CD1-CD1 4.31Å |
| 3385 | L | 63.1 | Low | 65.4 | Low | 29.6 Ų | 29.6 | 52.1 Ų | 52.1 | 16% | 0.155 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -81.2 | -17.7 | 177.8 | -61.2 | 172.6 | 0 | 0 | 0 | 113 | L3328 I3331 Y3343 V3346 L3377 Y3382 W3383 Q3387 A3391 I3394 | L3328-L3385 HydrophobicContact CD1-CD2 4.37Å; I3331-L3385 HydrophobicContact CD1-CD1 3.73Å; I3331-L3385 HydrophobicContact CG2-CB 4Å; I3331-L3385 HydrophobicContact CG2-CD1 4.32Å; Y3343-L3385 HydrophobicContact CD2-CD1 4.22Å; V3346-L3385 HydrophobicContact CB-CD1 4.29Å; V3346-L3385 HydrophobicContact CG1-CD1 4.33Å; V3346-L3385 HydrophobicContact CG1-CD2 4.32Å; V3346-L3385 HydrophobicContact CG2-CD1 4.42Å; L3377-L3385 HydrophobicContact CD1-CD2 4.3Å; L3377-L3385 HydrophobicContact CD2-CD1 4.04Å; L3377-L3385 HydrophobicContact CD2-CD2 3.82Å; L3377-L3385 HydrophobicContact CD2-CG 3.63Å; L3377-L3385 VanDerWaalsContact CD2-CG 3.46Å; L3377-L3385 HydrophobicContact CG-CD2 4.46Å; Y3382-L3385 WeakPolarHBondContact O-CA 3.42Å; Y3382-L3385 VanDerWaalsContact O-CB 3.28Å; Y3382-L3385 WeakPolarHBondContact O-CB 3.34Å; Y3382-L3385 PolarHBondContact O-N 3.09Å; W3383-L3385 PolarHBondContact O-N 3.08Å; W3383-L3385 VanDerWaalsContact O-N 3.15Å; L3385-Q3387 VanDerWaalsContact C-N 3.3Å; L3385-Q3387 PolarHBondContact O-N 2.93Å; L3385-A3391 WeakPolarHBondContact O-CB 3.36Å; L3385-I3394 HydrophobicContact CD2-CD1 3.24Å |
| 3386 | E | 60 | Low | 65.2 | Low | 110.2 Ų | 110.2 | 53.7 Ų | 53.7 | 52% | 0.515 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -71.1 | -22.9 | 172.3 | -62.1 | -175.3 | 169.9 | 0 | 0 | 111.5 | Y3382 W3383 L3384 P3388 | Y3382-E3386 VanDerWaalsContact CE2-OE1 3.27Å; Y3382-E3386 WeakPolarHBondContact CE2-OE1 3.11Å; W3383-E3386 VanDerWaalsContact CD1-OE1 3.25Å; W3383-E3386 VanDerWaalsContact CE3-OE2 3.29Å; W3383-E3386 WeakPolarHBondContact CZ3-OE2 3.41Å; W3383-E3386 PolarHBondContact NE1-OE2 3.33Å; W3383-E3386 WeakPolarHBondContact O-CB 3.4Å; W3383-E3386 PolarHBondContact O-N 3.08Å; W3383-E3386 VanDerWaalsContact O-N 3.15Å; L3384-E3386 VanDerWaalsContact C-N 3.33Å; E3386-P3388 VanDerWaalsContact O-CD 3.29Å; E3386-P3388 WeakPolarHBondContact O-CD 3.34Å |
| 3387 | Q | 63.9 | Low | 65.1 | Low | 52 Ų | 52 | 53.8 Ų | 53.8 | 24% | 0.243 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -78.3 | 103.9 | 177.5 | -64.6 | -79.8 | -13.5 | 0 | 0 | 110.8 | Y3343 W3383 L3384 L3385 F3389 I3390 A3391 | Y3343-Q3387 PolarHBondContact OH-NE2 3.3Å; W3383-Q3387 PolarHBondContact O-N 3.27Å; W3383-Q3387 VanDerWaalsContact O-N 3.16Å; L3384-Q3387 CarbonylContact O-C 3.54Å; L3384-Q3387 VanDerWaalsContact O-C 3.23Å; L3384-Q3387 WeakPolarHBondContact O-CB 3.47Å; L3384-Q3387 PolarHBondContact O-N 3.13Å; L3385-Q3387 VanDerWaalsContact C-N 3.3Å; L3385-Q3387 PolarHBondContact O-N 2.93Å; Q3387-F3389 VanDerWaalsContact C-N 3.29Å; Q3387-F3389 HydrophobicContact CB-CD1 4.18Å; Q3387-F3389 HydrophobicContact CB-CE1 3.78Å; Q3387-F3389 HydrophobicContact CB-CZ 4.3Å; Q3387-F3389 HydrophobicContact CG-CD1 4.46Å; Q3387-F3389 HydrophobicContact CG-CE1 4.21Å; Q3387-F3389 PolarHBondContact O-N 3.02Å; Q3387-F3389 VanDerWaalsContact O-N 3.17Å; Q3387-I3390 HydrophobicContact CB-CB 4.14Å; Q3387-I3390 HydrophobicContact CB-CD1 3.9Å; Q3387-I3390 HydrophobicContact CB-CG1 3.92Å; Q3387-I3390 HydrophobicContact CG-CD1 4.25Å; Q3387-I3390 WeakPolarHBondContact O-CB 3.5Å; Q3387-I3390 PolarHBondContact O-N 3.23Å; Q3387-I3390 VanDerWaalsContact O-N 3.09Å; Q3387-A3391 WeakPolarHBondContact O-CB 3.41Å; Q3387-A3391 PolarHBondContact O-N 3.28Å |
| 3388 | P | 63.4 | Low | 65 | Low | 93.4 Ų | 93.4 | 53.7 Ų | 53.7 | 61% | 0.606 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.2 | -31.2 | -170.4 | 23.1 | -32.8 | 0 | 0 | 0 | 112.8 | E3386 I3390 A3391 Q3392 | E3386-P3388 VanDerWaalsContact O-CD 3.29Å; E3386-P3388 WeakPolarHBondContact O-CD 3.34Å; P3388-I3390 PolarHBondContact O-N 3.04Å; P3388-A3391 PolarHBondContact O-N 3.1Å; P3388-Q3392 VanDerWaalsContact O-CB 3.3Å; P3388-Q3392 WeakPolarHBondContact O-CB 3.29Å; P3388-Q3392 PolarHBondContact O-N 3.1Å |
| 3389 | F | 62.9 | Low | 65.1 | Low | 40 Ų | 40 | 56.7 Ų | 56.7 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.5 | -34.2 | 176.2 | 71 | -89.8 | 0 | 0 | 0 | 112.6 | Y3186 Q3387 Q3392 S3393 P3662 L3664 L3666 W3717 | Y3186-F3389 HydrophobicContact CE1-CB 3.95Å; Y3186-F3389 AromaticContact CE1-CD1 3.81Å; Y3186-F3389 HydrophobicContact CE1-CD1 3.81Å; Y3186-F3389 HydrophobicContact CE1-CD2 4.23Å; Y3186-F3389 HydrophobicContact CE1-CE1 4.38Å; Y3186-F3389 AromaticContact CE1-CG 3.72Å; Y3186-F3389 HydrophobicContact CE1-CG 3.72Å; Y3186-F3389 AromaticContact CE2-CD1 3.62Å; Y3186-F3389 HydrophobicContact CE2-CD1 3.62Å; Y3186-F3389 AromaticContact CE2-CE1 3.42Å; Y3186-F3389 HydrophobicContact CE2-CE1 3.42Å; Y3186-F3389 VanDerWaalsContact CE2-CE1 3.42Å; Y3186-F3389 HydrophobicContact CE2-CG 4.27Å; Y3186-F3389 AromaticContact CE2-CZ 3.96Å; Y3186-F3389 HydrophobicContact CE2-CZ 3.96Å; Y3186-F3389 AromaticContact CZ-CD1 3.23Å; Y3186-F3389 AromaticContact CZ-CD2 3.74Å; Y3186-F3389 AromaticContact CZ-CE1 3.37Å; Y3186-F3389 AromaticContact CZ-CE2 3.89Å; Y3186-F3389 AromaticContact CZ-CG 3.42Å; Y3186-F3389 VanDerWaalsContact CZ-CG 3.42Å; Y3186-F3389 AromaticContact CZ-CZ 3.71Å; Y3186-F3389 VanDerWaalsContact OH-CD1 3.24Å; Y3186-F3389 WeakPolarHBondContact OH-CD1 3.37Å; Y3186-F3389 WeakPolarHBondContact OH-CD2 3.43Å; Y3186-F3389 WeakPolarHBondContact OH-CE1 3.3Å; Y3186-F3389 WeakPolarHBondContact OH-CE2 3.23Å; Y3186-F3389 WeakPolarHBondContact OH-CG 3.3Å; Y3186-F3389 WeakPolarHBondContact OH-CZ 3.48Å; Q3387-F3389 VanDerWaalsContact C-N 3.29Å; Q3387-F3389 HydrophobicContact CB-CD1 4.18Å; Q3387-F3389 HydrophobicContact CB-CE1 3.78Å; Q3387-F3389 HydrophobicContact CB-CZ 4.3Å; Q3387-F3389 HydrophobicContact CG-CD1 4.46Å; Q3387-F3389 HydrophobicContact CG-CE1 4.21Å; Q3387-F3389 PolarHBondContact O-N 3.02Å; Q3387-F3389 VanDerWaalsContact O-N 3.17Å; F3389-Q3392 PolarHBondContact O-N 2.9Å; F3389-S3393 WeakPolarHBondContact O-CA 3.35Å; F3389-S3393 WeakPolarHBondContact O-CB 3.19Å; F3389-S3393 PolarHBondContact O-N 3.28Å; F3389-S3393 PolarHBondContact O-OG 3.38Å; F3389-P3662 HydrophobicContact CE1-CG 4.35Å; F3389-P3662 HydrophobicContact CZ-CG 4.15Å; F3389-L3664 HydrophobicContact CZ-CB 4.44Å; F3389-L3666 HydrophobicContact CB-CD1 3.95Å; F3389-L3666 HydrophobicContact CB-CD2 4.22Å; F3389-L3666 HydrophobicContact CD2-CD1 3.81Å; F3389-L3666 HydrophobicContact CE2-CD1 4.45Å; F3389-L3666 HydrophobicContact CG-CD1 3.99Å; F3389-L3666 HydrophobicContact CG-CD2 4.5Å; F3389-W3717 AromaticContact CD2-CE3 3.84Å; F3389-W3717 HydrophobicContact CD2-CE3 3.92Å; F3389-W3717 AromaticContact CD2-CZ2 3.92Å; F3389-W3717 HydrophobicContact CD2-CZ2 3.92Å; F3389-W3717 AromaticContact CD2-CZ3 3.92Å; F3389-W3717 HydrophobicContact CD2-CZ3 4.14Å; F3389-W3717 AromaticContact CE2-CE3 3.69Å; F3389-W3717 HydrophobicContact CE2-CE3 3.69Å; F3389-W3717 HydrophobicContact CE2-CZ2 4.17Å; F3389-W3717 AromaticContact CE2-CZ3 3.75Å; F3389-W3717 HydrophobicContact CE2-CZ3 4.08Å |
| 3390 | I | 65.9 | Low | 65.1 | Low | 2.8 Ų | 2.8 | 52.4 Ų | 52.4 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69 | -47.4 | 175.8 | -59.5 | -174.6 | 0 | 0 | 0 | 108.9 | L3350 I3373 L3377 L3384 Q3387 P3388 Q3392 S3393 I3394 L3664 W3717 | L3350-I3390 HydrophobicContact CD1-CG2 4.46Å; I3373-I3390 HydrophobicContact CD1-CG2 4.08Å; I3373-I3390 HydrophobicContact CG1-CG2 4.26Å; I3373-I3390 HydrophobicContact CG2-CG2 4.44Å; L3377-I3390 HydrophobicContact CD1-CG2 3.52Å; L3377-I3390 HydrophobicContact CD2-CD1 4.17Å; L3377-I3390 HydrophobicContact CD2-CG2 4.37Å; L3384-I3390 HydrophobicContact CD1-CD1 4.09Å; L3384-I3390 HydrophobicContact CD2-CB 4.49Å; L3384-I3390 HydrophobicContact CD2-CD1 4.06Å; L3384-I3390 HydrophobicContact CD2-CG2 4.21Å; L3384-I3390 HydrophobicContact CG-CD1 3.71Å; L3384-I3390 HydrophobicContact CG-CG2 4.4Å; L3384-I3390 WeakPolarHBondContact O-CD1 3.32Å; Q3387-I3390 HydrophobicContact CB-CB 4.14Å; Q3387-I3390 HydrophobicContact CB-CD1 3.9Å; Q3387-I3390 HydrophobicContact CB-CG1 3.92Å; Q3387-I3390 HydrophobicContact CG-CD1 4.25Å; Q3387-I3390 WeakPolarHBondContact O-CB 3.5Å; Q3387-I3390 PolarHBondContact O-N 3.23Å; Q3387-I3390 VanDerWaalsContact O-N 3.09Å; P3388-I3390 PolarHBondContact O-N 3.04Å; I3390-Q3392 VanDerWaalsContact C-N 3.29Å; I3390-Q3392 PolarHBondContact O-N 3.14Å; I3390-S3393 WeakPolarHBondContact O-CB 3.44Å; I3390-S3393 PolarHBondContact O-N 3.17Å; I3390-S3393 VanDerWaalsContact O-N 3.17Å; I3390-I3394 HydrophobicContact CG2-CD1 3.8Å; I3390-I3394 HydrophobicContact CG2-CG1 4.37Å; I3390-I3394 VanDerWaalsContact O-CB 3.22Å; I3390-I3394 WeakPolarHBondContact O-CB 3.49Å; I3390-I3394 VanDerWaalsContact O-CG1 3.27Å; I3390-I3394 WeakPolarHBondContact O-CG1 3.31Å; I3390-I3394 PolarHBondContact O-N 3.18Å; I3390-L3664 HydrophobicContact CD1-CD1 3.88Å; I3390-W3717 HydrophobicContact CG1-CH2 4.46Å; I3390-W3717 HydrophobicContact CG1-CZ3 4.15Å |
| 3391 | A | 67.4 | Low | 65.4 | Low | 13.2 Ų | 13.2 | 47.9 Ų | 47.9 | 11% | 0.109 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.2 | -36.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L3328 K3332 L3384 L3385 Q3387 P3388 G3395 | L3328-A3391 HydrophobicContact CD1-CB 4.33Å; K3332-A3391 HydrophobicContact CD-CB 4.45Å; K3332-A3391 HydrophobicContact CG-CB 4.34Å; K3332-A3391 PolarHBondContact NZ-O 2.92Å; L3384-A3391 HydrophobicContact CD2-CB 3.92Å; L3385-A3391 WeakPolarHBondContact O-CB 3.36Å; Q3387-A3391 WeakPolarHBondContact O-CB 3.41Å; Q3387-A3391 PolarHBondContact O-N 3.28Å; P3388-A3391 PolarHBondContact O-N 3.1Å; A3391-G3395 PolarHBondContact O-N 3.12Å |
| 3392 | Q | 68.4 | Low | 65.5 | Low | 119.8 Ų | 119.8 | 48.6 Ų | 48.6 | 56% | 0.56 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -69.5 | -42.9 | 174.6 | -170.7 | 177.3 | 13.2 | 0 | 0 | 112.1 | P3388 F3389 I3390 I3394 G3395 Q3396 | P3388-Q3392 VanDerWaalsContact O-CB 3.3Å; P3388-Q3392 WeakPolarHBondContact O-CB 3.29Å; P3388-Q3392 PolarHBondContact O-N 3.1Å; F3389-Q3392 PolarHBondContact O-N 2.9Å; I3390-Q3392 VanDerWaalsContact C-N 3.29Å; I3390-Q3392 PolarHBondContact O-N 3.14Å; Q3392-I3394 PolarHBondContact O-N 3.05Å; Q3392-G3395 PolarHBondContact O-N 3.17Å; Q3392-Q3396 VanDerWaalsContact O-CB 3.24Å; Q3392-Q3396 WeakPolarHBondContact O-CB 3.35Å; Q3392-Q3396 WeakPolarHBondContact O-CG 3.34Å; Q3392-Q3396 PolarHBondContact O-N 3.12Å |
| 3393 | S | 67 | Low | 65.4 | Low | 19.6 Ų | 19.6 | 48.8 Ų | 48.8 | 14% | 0.137 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.7 | -41 | 177.3 | -163.8 | 0 | 0 | 0 | 0 | 112.2 | R3366 F3389 I3390 Q3396 S3397 | R3366-S3393 VanDerWaalsContact CZ-OG 3.26Å; R3366-S3393 PolarHBondContact NH1-OG 3.18Å; R3366-S3393 VanDerWaalsContact NH1-OG 3.16Å; R3366-S3393 PolarHBondContact NH2-O 3.29Å; R3366-S3393 PolarHBondContact NH2-OG 3.19Å; F3389-S3393 WeakPolarHBondContact O-CA 3.35Å; F3389-S3393 WeakPolarHBondContact O-CB 3.19Å; F3389-S3393 PolarHBondContact O-N 3.28Å; F3389-S3393 PolarHBondContact O-OG 3.38Å; I3390-S3393 WeakPolarHBondContact O-CB 3.44Å; I3390-S3393 PolarHBondContact O-N 3.17Å; I3390-S3393 VanDerWaalsContact O-N 3.17Å; S3393-Q3396 PolarHBondContact O-N 3.32Å; S3393-S3397 VanDerWaalsContact O-CB 3.29Å; S3393-S3397 WeakPolarHBondContact O-CB 3.39Å; S3393-S3397 PolarHBondContact O-N 3.19Å; S3393-S3397 VanDerWaalsContact O-N 3.12Å; S3393-S3397 PolarHBondContact O-OG 3.14Å |
| 3394 | I | 71.1 | Confident | 65.1 | Low | 3.4 Ų | 3.4 | 46.6 Ų | 46.6 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.8 | -48.8 | 172.3 | -66.3 | 170.7 | 0 | 0 | 0 | 109.6 | L3328 V3346 L3350 I3370 I3373 I3374 L3377 L3385 I3390 Q3392 Q3396 S3397 L3398 | L3328-I3394 HydrophobicContact CD1-CB 4.42Å; L3328-I3394 HydrophobicContact CD1-CG2 4.08Å; L3328-I3394 HydrophobicContact CD2-CB 4.29Å; L3328-I3394 HydrophobicContact CD2-CG2 4Å; V3346-I3394 HydrophobicContact CG1-CD1 4.41Å; V3346-I3394 HydrophobicContact CG1-CG2 3.94Å; L3350-I3394 HydrophobicContact CD1-CD1 4.12Å; L3350-I3394 HydrophobicContact CD1-CG1 4.16Å; L3350-I3394 HydrophobicContact CD1-CG2 4.37Å; L3350-I3394 HydrophobicContact CD2-CG1 4.29Å; L3350-I3394 HydrophobicContact CD2-CG2 4.11Å; L3350-I3394 HydrophobicContact CG-CG2 4.41Å; I3370-I3394 HydrophobicContact CG2-CG2 3.47Å; I3370-I3394 VanDerWaalsContact CG2-CG2 3.47Å; I3373-I3394 HydrophobicContact CD1-CD1 4.45Å; I3373-I3394 HydrophobicContact CD1-CG1 4.21Å; I3373-I3394 HydrophobicContact CG2-CD1 3.97Å; I3373-I3394 HydrophobicContact CG2-CG1 4.31Å; I3374-I3394 HydrophobicContact CD1-CG2 3.47Å; I3374-I3394 VanDerWaalsContact CD1-CG2 3.47Å; I3374-I3394 HydrophobicContact CG1-CD1 3.95Å; I3374-I3394 HydrophobicContact CG1-CG2 3.71Å; L3377-I3394 HydrophobicContact CD1-CD1 3.85Å; L3385-I3394 HydrophobicContact CD2-CD1 3.24Å; I3390-I3394 HydrophobicContact CG2-CD1 3.8Å; I3390-I3394 HydrophobicContact CG2-CG1 4.37Å; I3390-I3394 VanDerWaalsContact O-CB 3.22Å; I3390-I3394 WeakPolarHBondContact O-CB 3.49Å; I3390-I3394 VanDerWaalsContact O-CG1 3.27Å; I3390-I3394 WeakPolarHBondContact O-CG1 3.31Å; I3390-I3394 PolarHBondContact O-N 3.18Å; Q3392-I3394 PolarHBondContact O-N 3.05Å; I3394-Q3396 VanDerWaalsContact C-N 3.34Å; I3394-Q3396 PolarHBondContact O-N 3.24Å; I3394-S3397 CarbonylContact O-C 3.57Å; I3394-S3397 WeakPolarHBondContact O-CA 3.38Å; I3394-S3397 WeakPolarHBondContact O-CB 3.35Å; I3394-S3397 PolarHBondContact O-N 3.13Å; I3394-S3397 VanDerWaalsContact O-N 3.1Å; I3394-L3398 HydrophobicContact CG2-CD1 3.87Å; I3394-L3398 HydrophobicContact CG2-CG 4.15Å; I3394-L3398 VanDerWaalsContact O-CG 3.32Å; I3394-L3398 WeakPolarHBondContact O-CG 3.37Å; I3394-L3398 PolarHBondContact O-N 3.12Å |
| 3395 | G | 70.3 | Confident | 64.5 | Low | 11.8 Ų | 11.8 | 51.9 Ų | 51.9 | 12% | 0.122 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.3 | -44 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A3391 Q3392 S3397 L3398 N3399 | A3391-G3395 PolarHBondContact O-N 3.12Å; Q3392-G3395 PolarHBondContact O-N 3.17Å; G3395-S3397 VanDerWaalsContact C-N 3.31Å; G3395-S3397 PolarHBondContact O-N 3.16Å; G3395-L3398 PolarHBondContact O-N 3.07Å; G3395-N3399 WeakPolarHBondContact O-CB 3.29Å; G3395-N3399 VanDerWaalsContact O-CG 3.24Å; G3395-N3399 PolarHBondContact O-N 3.13Å; G3395-N3399 PolarHBondContact O-ND2 3.03Å; G3395-N3399 PolarHBondContact O-OD1 2.95Å |
| 3396 | Q | 69.2 | Low | 63.7 | Low | 104.2 Ų | 104.2 | 54.1 Ų | 54.1 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 173.3 | -73.9 | 173 | -10.3 | 0 | 0 | 112.4 | R3366 Q3392 S3393 I3394 L3398 N3399 A3400 | R3366-Q3396 VanDerWaalsContact NH2-CB 3.25Å; Q3392-Q3396 VanDerWaalsContact O-CB 3.24Å; Q3392-Q3396 WeakPolarHBondContact O-CB 3.35Å; Q3392-Q3396 WeakPolarHBondContact O-CG 3.34Å; Q3392-Q3396 PolarHBondContact O-N 3.12Å; S3393-Q3396 PolarHBondContact O-N 3.32Å; I3394-Q3396 VanDerWaalsContact C-N 3.34Å; I3394-Q3396 PolarHBondContact O-N 3.24Å; Q3396-L3398 VanDerWaalsContact C-N 3.34Å; Q3396-N3399 PolarHBondContact O-N 3.13Å; Q3396-A3400 WeakPolarHBondContact O-CB 3.35Å; Q3396-A3400 PolarHBondContact O-N 3.22Å; Q3396-A3400 VanDerWaalsContact O-N 3.11Å |
| 3397 | S | 68.3 | Low | 63 | Low | 13.2 Ų | 13.2 | 53.6 Ų | 53.6 | 9% | 0.092 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.1 | -35.7 | 179.8 | -51.7 | 0 | 0 | 0 | 0 | 111.9 | R3366 S3393 I3394 G3395 A3400 L3401 | R3366-S3397 PolarHBondContact NE-OG 3.19Å; R3366-S3397 VanDerWaalsContact NH2-N 3.14Å; R3366-S3397 PolarHBondContact NH2-OG 3.2Å; R3366-S3397 VanDerWaalsContact NH2-OG 3.09Å; S3393-S3397 VanDerWaalsContact O-CB 3.29Å; S3393-S3397 WeakPolarHBondContact O-CB 3.39Å; S3393-S3397 PolarHBondContact O-N 3.19Å; S3393-S3397 VanDerWaalsContact O-N 3.12Å; S3393-S3397 PolarHBondContact O-OG 3.14Å; I3394-S3397 CarbonylContact O-C 3.57Å; I3394-S3397 WeakPolarHBondContact O-CA 3.38Å; I3394-S3397 WeakPolarHBondContact O-CB 3.35Å; I3394-S3397 PolarHBondContact O-N 3.13Å; I3394-S3397 VanDerWaalsContact O-N 3.1Å; G3395-S3397 VanDerWaalsContact C-N 3.31Å; G3395-S3397 PolarHBondContact O-N 3.16Å; S3397-A3400 PolarHBondContact O-N 3.49Å; S3397-L3401 PolarHBondContact O-N 3.24Å |
| 3398 | L | 69.8 | Low | 61.7 | Low | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -72.2 | -38 | 174.4 | -64.2 | 179.8 | 0 | 0 | 0 | 112.2 | S3321 L3328 A3367 I3370 I3374 I3394 G3395 Q3396 A3400 L3401 C3402 | S3321-L3398 PolarHBondContact OG-O 2.92Å; L3328-L3398 HydrophobicContact CB-CD1 4.42Å; L3328-L3398 HydrophobicContact CD2-CD1 4.2Å; A3367-L3398 HydrophobicContact CB-CD2 4.43Å; I3370-L3398 HydrophobicContact CB-CD2 4.4Å; I3370-L3398 HydrophobicContact CD1-CD2 4.33Å; I3370-L3398 HydrophobicContact CG2-CD1 4.05Å; I3370-L3398 HydrophobicContact CG2-CD2 3.84Å; I3370-L3398 HydrophobicContact CG2-CG 3.92Å; I3374-L3398 HydrophobicContact CD1-CD1 4.1Å; I3394-L3398 HydrophobicContact CG2-CD1 3.87Å; I3394-L3398 HydrophobicContact CG2-CG 4.15Å; I3394-L3398 VanDerWaalsContact O-CG 3.32Å; I3394-L3398 WeakPolarHBondContact O-CG 3.37Å; I3394-L3398 PolarHBondContact O-N 3.12Å; G3395-L3398 PolarHBondContact O-N 3.07Å; Q3396-L3398 VanDerWaalsContact C-N 3.34Å; L3398-A3400 VanDerWaalsContact C-N 3.31Å; L3398-A3400 PolarHBondContact O-N 3.11Å; L3398-L3401 HydrophobicContact CD2-CD1 4.02Å; L3398-L3401 VanDerWaalsContact O-CB 3.31Å; L3398-L3401 WeakPolarHBondContact O-CB 3.33Å; L3398-L3401 PolarHBondContact O-N 3.27Å; L3398-L3401 VanDerWaalsContact O-N 3.1Å; L3398-C3402 PolarHBondContact O-N 3.07Å; L3398-C3402 PolarHBondContact O-SG 2.63Å |
| 3399 | N | 67.8 | Low | 60.3 | Low | 93.6 Ų | 93.6 | 59.7 Ų | 59.7 | 50% | 0.501 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 175.5 | -70.9 | -10.2 | 0 | 0 | 0 | 111.5 | G3395 Q3396 L3401 C3402 D3403 | G3395-N3399 WeakPolarHBondContact O-CB 3.29Å; G3395-N3399 VanDerWaalsContact O-CG 3.24Å; G3395-N3399 PolarHBondContact O-N 3.13Å; G3395-N3399 PolarHBondContact O-ND2 3.03Å; G3395-N3399 PolarHBondContact O-OD1 2.95Å; Q3396-N3399 PolarHBondContact O-N 3.13Å; N3399-L3401 PolarHBondContact O-N 3.12Å; N3399-C3402 WeakPolarHBondContact O-CB 3.29Å; N3399-C3402 PolarHBondContact O-N 3.12Å; N3399-D3403 PolarHBondContact O-N 2.84Å; N3399-D3403 VanDerWaalsContact O-N 3.1Å |
| 3400 | A | 63.6 | Low | 59.2 | Low | 30.6 Ų | 30.6 | 60.3 Ų | 60.3 | 25% | 0.253 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.7 | -29.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L3360 Q3396 S3397 L3398 C3402 | L3360-A3400 WeakPolarHBondContact CD2-O 3.41Å; Q3396-A3400 WeakPolarHBondContact O-CB 3.35Å; Q3396-A3400 PolarHBondContact O-N 3.22Å; Q3396-A3400 VanDerWaalsContact O-N 3.11Å; S3397-A3400 PolarHBondContact O-N 3.49Å; L3398-A3400 VanDerWaalsContact C-N 3.31Å; L3398-A3400 PolarHBondContact O-N 3.11Å; A3400-C3402 VanDerWaalsContact C-N 3.31Å; A3400-C3402 PolarHBondContact O-N 3.33Å |
| 3401 | L | 65.5 | Low | 57.9 | Low | 7.8 Ų | 7.8 | 66.7 Ų | 66.7 | 4% | 0.041 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70 | -27.6 | 172.1 | -83.3 | 153.8 | 0 | 0 | 0 | 113.4 | Q3317 S3321 T3352 V3353 L3360 S3397 L3398 N3399 | Q3317-L3401 HydrophobicContact CB-CD2 4.42Å; S3321-L3401 WeakPolarHBondContact OG-CB 3.43Å; T3352-L3401 HydrophobicContact CG2-CD2 4.02Å; V3353-L3401 HydrophobicContact CG2-CD1 3.58Å; V3353-L3401 VanDerWaalsContact CG2-CD1 3.48Å; V3353-L3401 HydrophobicContact CG2-CG 4.19Å; L3360-L3401 HydrophobicContact CD1-CD2 3.5Å; L3360-L3401 VanDerWaalsContact CD1-CD2 3.46Å; L3360-L3401 HydrophobicContact CD1-CG 3.83Å; L3360-L3401 VanDerWaalsContact CD2-CA 3.43Å; L3360-L3401 HydrophobicContact CD2-CB 4.05Å; L3360-L3401 HydrophobicContact CD2-CD2 3.64Å; L3360-L3401 HydrophobicContact CD2-CG 3.62Å; L3360-L3401 VanDerWaalsContact CD2-CG 3.48Å; L3360-L3401 HydrophobicContact CG-CD2 4.18Å; L3360-L3401 HydrophobicContact CG-CG 4.33Å; S3397-L3401 PolarHBondContact O-N 3.24Å; L3398-L3401 HydrophobicContact CD2-CD1 4.02Å; L3398-L3401 VanDerWaalsContact O-CB 3.31Å; L3398-L3401 WeakPolarHBondContact O-CB 3.33Å; L3398-L3401 PolarHBondContact O-N 3.27Å; L3398-L3401 VanDerWaalsContact O-N 3.1Å; N3399-L3401 PolarHBondContact O-N 3.12Å |
| 3402 | C | 60.9 | Low | 56.7 | Low | 46.8 Ų | 46.8 | 68.9 Ų | 68.9 | 32% | 0.316 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -86.4 | -27.2 | -178.9 | -66.3 | 0 | 0 | 0 | 0 | 112.8 | S3321 L3398 N3399 A3400 T3404 | S3321-C3402 PolarHBondContact OG-SG 3.28Å; L3398-C3402 PolarHBondContact O-N 3.07Å; L3398-C3402 PolarHBondContact O-SG 2.63Å; N3399-C3402 WeakPolarHBondContact O-CB 3.29Å; N3399-C3402 PolarHBondContact O-N 3.12Å; A3400-C3402 VanDerWaalsContact C-N 3.31Å; A3400-C3402 PolarHBondContact O-N 3.33Å; C3402-T3404 PolarHBondContact O-N 3.01Å; C3402-T3404 VanDerWaalsContact O-N 3.11Å |
| 3403 | D | 61.3 | Low | 55.9 | Low | 86.2 Ų | 86.2 | 65.5 Ų | 65.5 | 46% | 0.461 | 36% | 0.361 | S | S | . | . | trans | -79.9 | 92.3 | -173.5 | -111.3 | -27.8 | 0 | 0 | 0 | 112.4 | N3399 N3405 L3406 | N3399-D3403 PolarHBondContact O-N 2.84Å; N3399-D3403 VanDerWaalsContact O-N 3.1Å; D3403-N3405 PolarHBondContact O-N 3.26Å; D3403-N3405 VanDerWaalsContact O-N 3.17Å; D3403-L3406 HydrophobicContact CB-CB 4.47Å; D3403-L3406 HydrophobicContact CB-CD1 3.79Å; D3403-L3406 HydrophobicContact CB-CG 4.19Å; D3403-L3406 PolarHBondContact O-N 3.39Å | ||
| 3404 | T | 54.4 | Low | 55.7 | Low | 80.6 Ų | 80.6 | 66.2 Ų | 66.2 | 49% | 0.494 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -65.9 | -19.9 | 176.2 | 53.3 | 0 | 0 | 0 | 0 | 113.3 | C3402 R3407 | C3402-T3404 PolarHBondContact O-N 3.01Å; C3402-T3404 VanDerWaalsContact O-N 3.11Å; T3404-R3407 WeakPolarHBondContact O-CG 3.39Å |
| 3405 | N | 49.6 | Very low | 55.5 | Low | 129 Ų | 129 | 66.7 Ų | 66.7 | 69% | 0.69 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -77.8 | -20.1 | -176.1 | -69 | -22.3 | 0 | 0 | 0 | 113.8 | D3403 R3407 I3408 | D3403-N3405 PolarHBondContact O-N 3.26Å; D3403-N3405 VanDerWaalsContact O-N 3.17Å; N3405-R3407 PolarHBondContact O-N 2.98Å; N3405-R3407 VanDerWaalsContact O-N 3.09Å; N3405-I3408 PolarHBondContact O-N 3.23Å |
| 3406 | L | 47.1 | Very low | 55.5 | Low | 75.4 Ų | 75.4 | 66.4 Ų | 66.4 | 40% | 0.395 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -65.8 | -13.3 | 179.4 | -82.8 | 164.4 | 0 | 0 | 0 | 113.6 | L3361 D3403 I3408 T3410 | L3361-L3406 HydrophobicContact CD1-CB 4.21Å; L3361-L3406 HydrophobicContact CD1-CD2 4.34Å; D3403-L3406 HydrophobicContact CB-CB 4.47Å; D3403-L3406 HydrophobicContact CB-CD1 3.79Å; D3403-L3406 HydrophobicContact CB-CG 4.19Å; D3403-L3406 PolarHBondContact O-N 3.39Å; L3406-I3408 VanDerWaalsContact C-N 3.26Å; L3406-I3408 PolarHBondContact O-N 3.06Å; L3406-I3408 VanDerWaalsContact O-N 3.12Å; L3406-T3410 HydrophobicContact CD2-CG2 4.23Å; L3406-T3410 PolarHBondContact O-OG1 3.26Å; L3406-T3410 VanDerWaalsContact O-OG1 3.04Å |
| 3407 | R | 44.6 | Very low | 55.7 | Low | 100.8 Ų | 100.8 | 61.9 Ų | 61.9 | 38% | 0.38 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -70 | -8.2 | -173.3 | -67.5 | -176.2 | 178.3 | -152.8 | -3.2 | 115.6 | E3359 T3404 N3405 | E3359-R3407 IonicContact OE1-CZ 3.84Å; E3359-R3407 IonicContact OE1-NH1 3.81Å; E3359-R3407 IonicContact OE1-NH2 2.9Å; E3359-R3407 PolarHBondContact OE1-NH2 2.97Å; E3359-R3407 IonicContact OE2-CZ 2.7Å; E3359-R3407 IonicContact OE2-NH1 2.66Å; E3359-R3407 PolarHBondContact OE2-NH1 3.31Å; E3359-R3407 IonicContact OE2-NH2 3.17Å; E3359-R3407 PolarHBondContact OE2-NH2 3.16Å; T3404-R3407 WeakPolarHBondContact O-CG 3.39Å; N3405-R3407 PolarHBondContact O-N 2.98Å; N3405-R3407 VanDerWaalsContact O-N 3.09Å |
| 3408 | I | 37.3 | Very low | 56 | Low | 133.4 Ų | 133.4 | 61.5 Ų | 61.5 | 68% | 0.684 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -112.1 | -23 | -167.5 | -57.8 | 178.1 | 0 | 0 | 0 | 113.8 | N3405 L3406 | N3405-I3408 PolarHBondContact O-N 3.23Å; L3406-I3408 VanDerWaalsContact C-N 3.26Å; L3406-I3408 PolarHBondContact O-N 3.06Å; L3406-I3408 VanDerWaalsContact O-N 3.12Å |
| 3409 | N | 34.4 | Very low | 56.3 | Low | 140.4 Ų | 140.4 | 61.7 Ų | 61.7 | 75% | 0.751 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -110.2 | 4.7 | -165.6 | -81.1 | 5.5 | 0 | 0 | 0 | 117.2 | L3411 | N3409-L3411 VanDerWaalsContact C-N 3.26Å; N3409-L3411 PolarHBondContact O-N 3.47Å |
| 3410 | T | 40.1 | Very low | 56.9 | Low | 50.8 Ų | 50.8 | 57.3 Ų | 57.3 | 31% | 0.312 | 32% | 0.316 | S | S | . | . | trans | -99.7 | 20.9 | -170.5 | 52.6 | 0 | 0 | 0 | 0 | 115.6 | L3361 L3406 S3412 T3413 N3414 | L3361-T3410 HydrophobicContact CD1-CG2 3.83Å; L3361-T3410 VanDerWaalsContact CD1-CG2 3.49Å; L3361-T3410 HydrophobicContact CD2-CG2 4Å; L3361-T3410 VanDerWaalsContact CD2-OG1 3.31Å; L3361-T3410 WeakPolarHBondContact CD2-OG1 3.23Å; L3361-T3410 HydrophobicContact CG-CG2 4.37Å; L3406-T3410 HydrophobicContact CD2-CG2 4.23Å; L3406-T3410 PolarHBondContact O-OG1 3.26Å; L3406-T3410 VanDerWaalsContact O-OG1 3.04Å; T3410-S3412 VanDerWaalsContact C-N 3.32Å; T3410-S3412 PolarHBondContact O-N 3.11Å; T3410-S3412 VanDerWaalsContact O-N 3.16Å; T3410-T3413 WeakPolarHBondContact CB-OG1 3.43Å; T3410-T3413 PolarHBondContact O-N 3.11Å; T3410-T3413 PolarHBondContact O-OG1 3.09Å; T3410-T3413 VanDerWaalsContact O-OG1 3.12Å; T3410-N3414 VanDerWaalsContact O-CG 3.31Å; T3410-N3414 PolarHBondContact O-ND2 3.27Å; T3410-N3414 PolarHBondContact O-OD1 3.45Å | ||
| 3411 | L | 38.3 | Very low | 57.7 | Low | 139 Ų | 139 | 55.8 Ų | 55.8 | 73% | 0.728 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -72.2 | -15.1 | 178.5 | -87.8 | 149 | 0 | 0 | 0 | 113.8 | N3409 T3413 | N3409-L3411 VanDerWaalsContact C-N 3.26Å; N3409-L3411 PolarHBondContact O-N 3.47Å; L3411-T3413 VanDerWaalsContact C-N 3.32Å; L3411-T3413 PolarHBondContact O-N 3.03Å |
| 3412 | S | 42.3 | Very low | 58.5 | Low | 59.4 Ų | 59.4 | 55.6 Ų | 55.6 | 42% | 0.415 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -77.2 | 10.5 | 178.4 | 53.2 | 0 | 0 | 0 | 0 | 113.1 | T3410 N3414 Q3568 | T3410-S3412 VanDerWaalsContact C-N 3.32Å; T3410-S3412 PolarHBondContact O-N 3.11Å; T3410-S3412 VanDerWaalsContact O-N 3.16Å; S3412-N3414 VanDerWaalsContact C-N 3.27Å; S3412-N3414 PolarHBondContact O-N 3.37Å; S3412-N3414 VanDerWaalsContact O-N 3.07Å; S3412-Q3568 PolarHBondContact OG-NE2 2.92Å |
| 3413 | T | 50.5 | Low | 59.4 | Low | 47.8 Ų | 47.8 | 55.3 Ų | 55.3 | 29% | 0.293 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -67.4 | 29.6 | 176.1 | 47.3 | 0 | 0 | 0 | 0 | 114.6 | T3410 L3411 V3415 A3416 I3417 N3461 F3464 | T3410-T3413 WeakPolarHBondContact CB-OG1 3.43Å; T3410-T3413 PolarHBondContact O-N 3.11Å; T3410-T3413 PolarHBondContact O-OG1 3.09Å; T3410-T3413 VanDerWaalsContact O-OG1 3.12Å; L3411-T3413 VanDerWaalsContact C-N 3.32Å; L3411-T3413 PolarHBondContact O-N 3.03Å; T3413-V3415 VanDerWaalsContact C-N 3.33Å; T3413-V3415 PolarHBondContact O-N 3.34Å; T3413-V3415 VanDerWaalsContact O-N 3.08Å; T3413-A3416 PolarHBondContact O-N 3.12Å; T3413-I3417 WeakPolarHBondContact O-CG1 3.44Å; T3413-I3417 PolarHBondContact O-N 2.95Å; T3413-N3461 HydrophobicContact CG2-CB 4.32Å; T3413-F3464 HydrophobicContact CG2-CB 3.89Å; T3413-F3464 HydrophobicContact CG2-CD1 3.87Å; T3413-F3464 HydrophobicContact CG2-CD2 3.58Å; T3413-F3464 HydrophobicContact CG2-CE1 4.3Å; T3413-F3464 HydrophobicContact CG2-CE2 4.04Å; T3413-F3464 HydrophobicContact CG2-CG 3.91Å; T3413-F3464 VanDerWaalsContact CG2-CG 3.45Å; T3413-F3464 HydrophobicContact CG2-CZ 4.38Å; T3413-F3464 WeakPolarHBondContact OG1-CB 3.27Å; T3413-F3464 WeakPolarHBondContact OG1-CD1 2.84Å; T3413-F3464 WeakPolarHBondContact OG1-CD2 2.78Å; T3413-F3464 WeakPolarHBondContact OG1-CG 3.21Å |
| 3414 | N | 62.5 | Low | 60.3 | Low | 34.2 Ų | 34.2 | 51.9 Ų | 51.9 | 18% | 0.183 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.8 | 7.6 | -175.1 | -97.7 | -25.2 | 0 | 0 | 0 | 112.6 | T3410 S3412 A3416 I3417 I3418 W3456 N3461 | T3410-N3414 VanDerWaalsContact O-CG 3.31Å; T3410-N3414 PolarHBondContact O-ND2 3.27Å; T3410-N3414 PolarHBondContact O-OD1 3.45Å; S3412-N3414 VanDerWaalsContact C-N 3.27Å; S3412-N3414 PolarHBondContact O-N 3.37Å; S3412-N3414 VanDerWaalsContact O-N 3.07Å; N3414-A3416 HydrophobicContact CB-CB 4.46Å; N3414-A3416 PolarHBondContact O-N 3.2Å; N3414-A3416 VanDerWaalsContact O-N 3.12Å; N3414-A3416 WeakPolarHBondContact OD1-CB 3.26Å; N3414-I3417 HydrophobicContact CB-CB 4.43Å; N3414-I3417 HydrophobicContact CB-CD1 3.92Å; N3414-I3417 HydrophobicContact CB-CG1 3.96Å; N3414-I3417 WeakPolarHBondContact O-CB 3.38Å; N3414-I3417 PolarHBondContact O-N 3.31Å; N3414-I3418 HydrophobicContact CB-CD1 4.25Å; N3414-I3418 WeakPolarHBondContact O-CB 3.31Å; N3414-I3418 WeakPolarHBondContact O-CD1 3.21Å; N3414-I3418 WeakPolarHBondContact O-CG1 3.32Å; N3414-I3418 PolarHBondContact O-N 3.01Å; N3414-W3456 WeakPolarHBondContact OD1-CZ3 3.21Å; N3414-N3461 PolarHBondContact ND2-OD1 3.29Å; N3414-N3461 PolarHBondContact OD1-ND2 3.08Å |
| 3415 | V | 67.4 | Low | 61.6 | Low | 14.4 Ų | 14.4 | 48 Ų | 48 | 9% | 0.087 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.8 | -40.9 | -179.7 | -173.2 | 0 | 0 | 0 | 0 | 111.4 | T3413 I3417 I3418 F3419 F3464 I3468 L3538 Y3541 L3576 | T3413-V3415 VanDerWaalsContact C-N 3.33Å; T3413-V3415 PolarHBondContact O-N 3.34Å; T3413-V3415 VanDerWaalsContact O-N 3.08Å; V3415-I3417 VanDerWaalsContact C-N 3.32Å; V3415-I3417 PolarHBondContact O-N 2.94Å; V3415-I3418 PolarHBondContact O-N 3.21Å; V3415-I3418 VanDerWaalsContact O-N 3.14Å; V3415-F3419 WeakPolarHBondContact O-CB 3.26Å; V3415-F3419 PolarHBondContact O-N 3.06Å; V3415-F3464 HydrophobicContact CB-CE1 4.42Å; V3415-F3464 HydrophobicContact CB-CE2 4.34Å; V3415-F3464 HydrophobicContact CB-CZ 3.93Å; V3415-F3464 HydrophobicContact CG1-CE1 4.18Å; V3415-F3464 HydrophobicContact CG1-CE2 4.34Å; V3415-F3464 HydrophobicContact CG1-CZ 3.56Å; V3415-F3464 HydrophobicContact CG2-CD1 4.33Å; V3415-F3464 HydrophobicContact CG2-CD2 3.99Å; V3415-F3464 HydrophobicContact CG2-CE1 3.67Å; V3415-F3464 HydrophobicContact CG2-CE2 3.83Å; V3415-F3464 HydrophobicContact CG2-CZ 3.64Å; V3415-I3468 HydrophobicContact CG1-CD1 4.13Å; V3415-I3468 HydrophobicContact CG2-CD1 3.8Å; V3415-L3538 HydrophobicContact CG1-CD2 4.1Å; V3415-Y3541 HydrophobicContact CB-CE1 4.42Å; V3415-Y3541 HydrophobicContact CG1-CD1 4.03Å; V3415-Y3541 HydrophobicContact CG1-CE1 3.92Å; V3415-Y3541 HydrophobicContact CG2-CE1 4.27Å; V3415-L3576 HydrophobicContact CG1-CD2 3.98Å |
| 3416 | A | 71.2 | Confident | 63 | Low | 5 Ų | 5 | 42.6 Ų | 42.6 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.3 | -43.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T3413 N3414 I3418 F3419 Q3420 Q3575 L3579 | T3413-A3416 PolarHBondContact O-N 3.12Å; N3414-A3416 HydrophobicContact CB-CB 4.46Å; N3414-A3416 PolarHBondContact O-N 3.2Å; N3414-A3416 VanDerWaalsContact O-N 3.12Å; N3414-A3416 WeakPolarHBondContact OD1-CB 3.26Å; A3416-I3418 PolarHBondContact O-N 3.41Å; A3416-F3419 VanDerWaalsContact O-CB 3.31Å; A3416-F3419 WeakPolarHBondContact O-CB 3.21Å; A3416-F3419 PolarHBondContact O-N 3.17Å; A3416-Q3420 WeakPolarHBondContact O-CB 3.41Å; A3416-Q3420 VanDerWaalsContact O-CG 3.25Å; A3416-Q3420 WeakPolarHBondContact O-CG 3.37Å; A3416-Q3420 PolarHBondContact O-N 3.17Å; A3416-Q3420 PolarHBondContact O-NE2 2.96Å; A3416-Q3575 HydrophobicContact CB-CB 4.27Å; A3416-L3579 HydrophobicContact CB-CD1 3.65Å; A3416-L3579 WeakPolarHBondContact O-CD1 3.38Å |
| 3417 | I | 73.3 | Confident | 64.2 | Low | 9.4 Ų | 9.4 | 40.2 Ų | 40.2 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.1 | -40.3 | 178.6 | -60.5 | 175.9 | 0 | 0 | 0 | 111 | E3363 T3413 N3414 V3415 F3419 Q3420 C3421 W3456 | E3363-I3417 HydrophobicContact CG-CD1 4.22Å; E3363-I3417 HydrophobicContact CG-CG1 4.19Å; E3363-I3417 HydrophobicContact CG-CG2 4.4Å; T3413-I3417 WeakPolarHBondContact O-CG1 3.44Å; T3413-I3417 PolarHBondContact O-N 2.95Å; N3414-I3417 HydrophobicContact CB-CB 4.43Å; N3414-I3417 HydrophobicContact CB-CD1 3.92Å; N3414-I3417 HydrophobicContact CB-CG1 3.96Å; N3414-I3417 WeakPolarHBondContact O-CB 3.38Å; N3414-I3417 PolarHBondContact O-N 3.31Å; V3415-I3417 VanDerWaalsContact C-N 3.32Å; V3415-I3417 PolarHBondContact O-N 2.94Å; I3417-F3419 VanDerWaalsContact C-N 3.32Å; I3417-F3419 PolarHBondContact O-N 3.16Å; I3417-Q3420 WeakPolarHBondContact O-CB 3.42Å; I3417-Q3420 PolarHBondContact O-N 3.14Å; I3417-C3421 PolarHBondContact O-N 3.07Å; I3417-C3421 PolarHBondContact O-SG 3.24Å; I3417-W3456 HydrophobicContact CD1-CH2 3.71Å; I3417-W3456 HydrophobicContact CD1-CZ2 3.87Å; I3417-W3456 HydrophobicContact CD1-CZ3 4.18Å; I3417-W3456 HydrophobicContact CG2-CD2 3.69Å; I3417-W3456 HydrophobicContact CG2-CE3 4.06Å; I3417-W3456 HydrophobicContact CG2-CG 4.05Å; I3417-W3456 HydrophobicContact CG2-CH2 4.29Å; I3417-W3456 HydrophobicContact CG2-CZ2 4Å; I3417-W3456 HydrophobicContact CG2-CZ3 4.23Å |
| 3418 | I | 73.4 | Confident | 65.6 | Low | 4.4 Ų | 4.4 | 35.9 Ų | 35.9 | 2% | 0.023 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.7 | -41.4 | 176.7 | -63.4 | 170 | 0 | 0 | 0 | 110.4 | N3414 V3415 A3416 Q3420 C3421 I3422 F3457 N3461 F3464 L3465 W3534 L3538 | N3414-I3418 HydrophobicContact CB-CD1 4.25Å; N3414-I3418 WeakPolarHBondContact O-CB 3.31Å; N3414-I3418 WeakPolarHBondContact O-CD1 3.21Å; N3414-I3418 WeakPolarHBondContact O-CG1 3.32Å; N3414-I3418 PolarHBondContact O-N 3.01Å; V3415-I3418 PolarHBondContact O-N 3.21Å; V3415-I3418 VanDerWaalsContact O-N 3.14Å; A3416-I3418 PolarHBondContact O-N 3.41Å; I3418-Q3420 VanDerWaalsContact C-N 3.32Å; I3418-Q3420 PolarHBondContact O-N 3.17Å; I3418-C3421 WeakPolarHBondContact O-CB 3.39Å; I3418-C3421 PolarHBondContact O-N 3.09Å; I3418-C3421 VanDerWaalsContact O-N 3.13Å; I3418-I3422 PolarHBondContact O-N 3.16Å; I3418-I3422 VanDerWaalsContact O-N 3.11Å; I3418-F3457 HydrophobicContact CG2-CE1 3.86Å; I3418-F3457 HydrophobicContact CG2-CE2 4.42Å; I3418-F3457 HydrophobicContact CG2-CZ 3.89Å; I3418-N3461 HydrophobicContact CD1-CB 4.16Å; I3418-F3464 HydrophobicContact CD1-CD1 3.74Å; I3418-F3464 HydrophobicContact CD1-CE1 4.07Å; I3418-L3465 HydrophobicContact CD1-CD1 3.82Å; I3418-L3465 VanDerWaalsContact CD1-CD1 3.42Å; I3418-L3465 HydrophobicContact CD1-CD2 4.01Å; I3418-L3465 HydrophobicContact CD1-CG 4Å; I3418-L3465 HydrophobicContact CG2-CD1 4.33Å; I3418-L3465 HydrophobicContact CG2-CD2 4.23Å; I3418-W3534 HydrophobicContact CG2-CD2 4.45Å; I3418-W3534 HydrophobicContact CG2-CE3 4.2Å; I3418-W3534 HydrophobicContact CG2-CZ3 4.43Å; I3418-L3538 HydrophobicContact CG2-CD1 4.08Å; I3418-L3538 HydrophobicContact CG2-CD2 4.31Å |
| 3419 | F | 76.4 | Confident | 67.2 | Low | 6.8 Ų | 6.8 | 30.9 Ų | 30.9 | 3% | 0.03 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.6 | -46.8 | 173.7 | -156.3 | -77.2 | 0 | 0 | 0 | 111.2 | V3415 A3416 I3417 C3421 I3422 Q3423 L3538 D3539 L3576 L3579 | V3415-F3419 WeakPolarHBondContact O-CB 3.26Å; V3415-F3419 PolarHBondContact O-N 3.06Å; A3416-F3419 VanDerWaalsContact O-CB 3.31Å; A3416-F3419 WeakPolarHBondContact O-CB 3.21Å; A3416-F3419 PolarHBondContact O-N 3.17Å; I3417-F3419 VanDerWaalsContact C-N 3.32Å; I3417-F3419 PolarHBondContact O-N 3.16Å; F3419-C3421 VanDerWaalsContact C-N 3.33Å; F3419-C3421 PolarHBondContact O-N 3.11Å; F3419-I3422 PolarHBondContact O-N 3.21Å; F3419-Q3423 VanDerWaalsContact CD1-CD 3.43Å; F3419-Q3423 HydrophobicContact CD1-CG 3.97Å; F3419-Q3423 VanDerWaalsContact CD1-OE1 3.26Å; F3419-Q3423 HydrophobicContact CE1-CG 3.95Å; F3419-Q3423 VanDerWaalsContact CE1-NE2 3.26Å; F3419-Q3423 WeakPolarHBondContact O-CB 3.49Å; F3419-Q3423 WeakPolarHBondContact O-CG 3.31Å; F3419-Q3423 PolarHBondContact O-N 3.13Å; F3419-L3538 HydrophobicContact CD2-CB 3.69Å; F3419-L3538 HydrophobicContact CD2-CD1 4.31Å; F3419-L3538 HydrophobicContact CD2-CD2 4.43Å; F3419-L3538 HydrophobicContact CD2-CG 4.36Å; F3419-L3538 HydrophobicContact CE2-CB 3.82Å; F3419-D3539 VanDerWaalsContact CZ-OD1 3.28Å; F3419-D3539 WeakPolarHBondContact CZ-OD1 3.35Å; F3419-L3576 HydrophobicContact CB-CD2 4.35Å; F3419-L3576 HydrophobicContact CD2-CD2 4.25Å; F3419-L3576 HydrophobicContact CG-CD2 4.36Å; F3419-L3579 HydrophobicContact CB-CD1 4.3Å; F3419-L3579 HydrophobicContact CD1-CB 3.71Å; F3419-L3579 HydrophobicContact CD1-CD1 4.37Å; F3419-L3579 HydrophobicContact CD1-CG 4.49Å; F3419-L3579 HydrophobicContact CE1-CB 4Å; F3419-L3579 WeakPolarHBondContact CE1-O 3.31Å; F3419-L3579 HydrophobicContact CG-CB 4.34Å |
| 3420 | Q | 80 | Confident | 68.8 | Low | 0.4 Ų | 0.4 | 26.9 Ų | 26.9 | 0% | 0.002 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58 | -46 | 173.1 | -81.9 | 169.3 | 18.8 | 0 | 0 | 111.6 | P3364 A3416 I3417 I3418 I3422 Q3423 V3424 L3579 Y3704 I3708 N3712 | P3364-Q3420 HydrophobicContact CB-CG 4.47Å; P3364-Q3420 HydrophobicContact CG-CG 4.17Å; A3416-Q3420 WeakPolarHBondContact O-CB 3.41Å; A3416-Q3420 VanDerWaalsContact O-CG 3.25Å; A3416-Q3420 WeakPolarHBondContact O-CG 3.37Å; A3416-Q3420 PolarHBondContact O-N 3.17Å; A3416-Q3420 PolarHBondContact O-NE2 2.96Å; I3417-Q3420 WeakPolarHBondContact O-CB 3.42Å; I3417-Q3420 PolarHBondContact O-N 3.14Å; I3418-Q3420 VanDerWaalsContact C-N 3.32Å; I3418-Q3420 PolarHBondContact O-N 3.17Å; Q3420-I3422 VanDerWaalsContact C-N 3.33Å; Q3420-I3422 PolarHBondContact O-N 3.34Å; Q3420-Q3423 PolarHBondContact O-N 3.03Å; Q3420-Q3423 VanDerWaalsContact O-N 3.12Å; Q3420-V3424 WeakPolarHBondContact O-CG2 3.35Å; Q3420-V3424 PolarHBondContact O-N 3Å; Q3420-L3579 HydrophobicContact CG-CD1 4.24Å; Q3420-L3579 HydrophobicContact CG-CD2 3.72Å; Q3420-Y3704 WeakPolarHBondContact CG-OH 3.41Å; Q3420-Y3704 PolarHBondContact O-OH 3.22Å; Q3420-I3708 HydrophobicContact CB-CD1 4.31Å; Q3420-I3708 HydrophobicContact CB-CG2 4.42Å; Q3420-I3708 VanDerWaalsContact CD-CG2 3.43Å; Q3420-I3708 HydrophobicContact CG-CB 4.45Å; Q3420-I3708 HydrophobicContact CG-CD1 3.98Å; Q3420-I3708 HydrophobicContact CG-CG1 4.03Å; Q3420-I3708 HydrophobicContact CG-CG2 3.83Å; Q3420-I3708 VanDerWaalsContact NE2-CG2 3.33Å; Q3420-N3712 PolarHBondContact NE2-ND2 3Å; Q3420-N3712 PolarHBondContact NE2-OD1 3.31Å; Q3420-N3712 VanDerWaalsContact NE2-OD1 3.09Å |
| 3421 | C | 81.3 | Confident | 69.9 | Low | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.8 | -44.4 | 179.3 | -67.2 | 0 | 0 | 0 | 0 | 112 | P3364 I3417 I3418 F3419 V3424 M3425 S3453 F3457 | P3364-C3421 HydrophobicContact CG-CB 4.4Å; P3364-C3421 VanDerWaalsContact CG-SG 3.53Å; P3364-C3421 WeakPolarHBondContact CG-SG 3.29Å; I3417-C3421 PolarHBondContact O-N 3.07Å; I3417-C3421 PolarHBondContact O-SG 3.24Å; I3418-C3421 WeakPolarHBondContact O-CB 3.39Å; I3418-C3421 PolarHBondContact O-N 3.09Å; I3418-C3421 VanDerWaalsContact O-N 3.13Å; F3419-C3421 VanDerWaalsContact C-N 3.33Å; F3419-C3421 PolarHBondContact O-N 3.11Å; C3421-V3424 PolarHBondContact O-N 3.27Å; C3421-M3425 VanDerWaalsContact O-CG 3.28Å; C3421-M3425 WeakPolarHBondContact O-CG 3.43Å; C3421-M3425 PolarHBondContact O-N 3.21Å; C3421-M3425 VanDerWaalsContact O-N 3.11Å; C3421-S3453 WeakPolarHBondContact CA-OG 3.4Å; C3421-F3457 HydrophobicContact CB-CD2 4.36Å; C3421-F3457 HydrophobicContact CB-CE2 3.61Å; C3421-F3457 VanDerWaalsContact CB-CE2 3.47Å; C3421-F3457 HydrophobicContact CB-CZ 4.08Å |
| 3422 | I | 82.2 | Confident | 70.9 | Confident | 4.2 Ų | 4.2 | 21.3 Ų | 21.3 | 2% | 0.022 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.7 | -42.7 | 176.2 | -67.4 | -57.8 | 0 | 0 | 0 | 111.6 | I3418 F3419 Q3420 V3424 M3425 V3426 F3457 W3534 K3535 L3538 | I3418-I3422 PolarHBondContact O-N 3.16Å; I3418-I3422 VanDerWaalsContact O-N 3.11Å; F3419-I3422 PolarHBondContact O-N 3.21Å; Q3420-I3422 VanDerWaalsContact C-N 3.33Å; Q3420-I3422 PolarHBondContact O-N 3.34Å; I3422-V3424 PolarHBondContact O-N 2.96Å; I3422-M3425 HydrophobicContact CD1-SD 4.39Å; I3422-M3425 CarbonylContact O-C 3.52Å; I3422-M3425 WeakPolarHBondContact O-CA 3.45Å; I3422-M3425 WeakPolarHBondContact O-CB 3.35Å; I3422-M3425 PolarHBondContact O-N 3Å; I3422-M3425 VanDerWaalsContact O-N 3.1Å; I3422-V3426 HydrophobicContact CG2-CG2 4.21Å; I3422-V3426 VanDerWaalsContact O-CG2 3.27Å; I3422-V3426 WeakPolarHBondContact O-CG2 3.39Å; I3422-V3426 PolarHBondContact O-N 3.09Å; I3422-F3457 HydrophobicContact CD1-CE1 4.13Å; I3422-F3457 HydrophobicContact CD1-CE2 3.76Å; I3422-F3457 HydrophobicContact CD1-CZ 3.32Å; I3422-F3457 VanDerWaalsContact CD1-CZ 3.47Å; I3422-F3457 HydrophobicContact CG1-CE2 4.32Å; I3422-F3457 HydrophobicContact CG1-CZ 3.69Å; I3422-W3534 HydrophobicContact CD1-CB 3.5Å; I3422-W3534 VanDerWaalsContact CD1-CB 3.44Å; I3422-W3534 HydrophobicContact CD1-CG 4.03Å; I3422-W3534 HydrophobicContact CG1-CB 3.68Å; I3422-W3534 HydrophobicContact CG1-CG 4.3Å; I3422-K3535 HydrophobicContact CG2-CB 3.86Å; I3422-K3535 HydrophobicContact CG2-CG 4.35Å; I3422-L3538 HydrophobicContact CB-CD1 4.33Å; I3422-L3538 HydrophobicContact CG1-CD1 3.77Å |
| 3423 | Q | 79.9 | Confident | 71.3 | Confident | 40.6 Ų | 40.6 | 21.2 Ų | 21.2 | 19% | 0.19 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.5 | -36.1 | -179.4 | -83.7 | 165.9 | -48.9 | 0 | 0 | 112.6 | F3419 Q3420 M3425 V3426 N3427 L3579 Y3704 | F3419-Q3423 VanDerWaalsContact CD1-CD 3.43Å; F3419-Q3423 HydrophobicContact CD1-CG 3.97Å; F3419-Q3423 VanDerWaalsContact CD1-OE1 3.26Å; F3419-Q3423 HydrophobicContact CE1-CG 3.95Å; F3419-Q3423 VanDerWaalsContact CE1-NE2 3.26Å; F3419-Q3423 WeakPolarHBondContact O-CB 3.49Å; F3419-Q3423 WeakPolarHBondContact O-CG 3.31Å; F3419-Q3423 PolarHBondContact O-N 3.13Å; Q3420-Q3423 PolarHBondContact O-N 3.03Å; Q3420-Q3423 VanDerWaalsContact O-N 3.12Å; Q3423-M3425 VanDerWaalsContact C-N 3.32Å; Q3423-M3425 PolarHBondContact O-N 3.19Å; Q3423-V3426 PolarHBondContact O-N 3.01Å; Q3423-N3427 WeakPolarHBondContact O-CB 3.24Å; Q3423-N3427 VanDerWaalsContact O-CG 3.26Å; Q3423-N3427 PolarHBondContact O-N 3.24Å; Q3423-N3427 PolarHBondContact O-ND2 3.33Å; Q3423-L3579 PolarHBondContact NE2-O 3.12Å; Q3423-L3579 PolarHBondContact OE1-O 3.2Å; Q3423-Y3704 HydrophobicContact CB-CD2 4.02Å; Q3423-Y3704 HydrophobicContact CB-CE1 4.46Å; Q3423-Y3704 HydrophobicContact CB-CE2 3.16Å; Q3423-Y3704 VanDerWaalsContact CB-OH 3.29Å; Q3423-Y3704 WeakPolarHBondContact CB-OH 3.32Å; Q3423-Y3704 VanDerWaalsContact CD-CE2 3.46Å; Q3423-Y3704 HydrophobicContact CG-CD2 3.86Å; Q3423-Y3704 HydrophobicContact CG-CE2 3.7Å; Q3423-Y3704 HydrophobicContact CG-CG 4.16Å; Q3423-Y3704 VanDerWaalsContact OE1-CE2 3.29Å |
| 3424 | V | 80.4 | Confident | 71.3 | Confident | 13.2 Ų | 13.2 | 22.8 Ų | 22.8 | 8% | 0.08 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.8 | -48.3 | 169.7 | 169.4 | 0 | 0 | 0 | 0 | 110.3 | P3364 Q3420 C3421 I3422 V3426 N3427 H3428 A3449 L3450 Y3704 | P3364-V3424 HydrophobicContact CB-CB 4.37Å; P3364-V3424 HydrophobicContact CB-CG2 3.63Å; P3364-V3424 VanDerWaalsContact CB-CG2 3.47Å; P3364-V3424 HydrophobicContact CG-CG2 4.38Å; Q3420-V3424 WeakPolarHBondContact O-CG2 3.35Å; Q3420-V3424 PolarHBondContact O-N 3Å; C3421-V3424 PolarHBondContact O-N 3.27Å; I3422-V3424 PolarHBondContact O-N 2.96Å; V3424-V3426 VanDerWaalsContact C-N 3.34Å; V3424-V3426 PolarHBondContact O-N 3.18Å; V3424-N3427 PolarHBondContact O-N 3.29Å; V3424-H3428 WeakPolarHBondContact O-CB 3.4Å; V3424-H3428 PolarHBondContact O-N 3.15Å; V3424-A3449 HydrophobicContact CG1-CB 3.62Å; V3424-A3449 HydrophobicContact CG2-CB 4.3Å; V3424-L3450 HydrophobicContact CG1-CD2 4.39Å; V3424-L3450 HydrophobicContact CG1-CG 4.36Å; V3424-Y3704 HydrophobicContact CG2-CE1 3.86Å; V3424-Y3704 VanDerWaalsContact CG2-OH 3.26Å; V3424-Y3704 WeakPolarHBondContact CG2-OH 3.4Å; V3424-Y3704 PolarHBondContact N-OH 3.19Å; V3424-Y3704 VanDerWaalsContact N-OH 3.11Å |
| 3425 | M | 81.1 | Confident | 70.5 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.3 | -43.9 | 179.2 | -72.4 | -178.8 | -173 | 0 | 0 | 111.6 | C3421 I3422 Q3423 N3427 H3428 F3429 L3450 I3454 F3457 V3527 L3530 I3531 | C3421-M3425 VanDerWaalsContact O-CG 3.28Å; C3421-M3425 WeakPolarHBondContact O-CG 3.43Å; C3421-M3425 PolarHBondContact O-N 3.21Å; C3421-M3425 VanDerWaalsContact O-N 3.11Å; I3422-M3425 HydrophobicContact CD1-SD 4.39Å; I3422-M3425 CarbonylContact O-C 3.52Å; I3422-M3425 WeakPolarHBondContact O-CA 3.45Å; I3422-M3425 WeakPolarHBondContact O-CB 3.35Å; I3422-M3425 PolarHBondContact O-N 3Å; I3422-M3425 VanDerWaalsContact O-N 3.1Å; Q3423-M3425 VanDerWaalsContact C-N 3.32Å; Q3423-M3425 PolarHBondContact O-N 3.19Å; M3425-N3427 PolarHBondContact O-N 3.36Å; M3425-H3428 PolarHBondContact O-N 3.17Å; M3425-F3429 VanDerWaalsContact O-CB 3.31Å; M3425-F3429 WeakPolarHBondContact O-CB 3.26Å; M3425-F3429 WeakPolarHBondContact O-CD2 3.4Å; M3425-F3429 PolarHBondContact O-N 3.28Å; M3425-L3450 HydrophobicContact CB-CD2 4.42Å; M3425-L3450 HydrophobicContact CG-CD2 3.87Å; M3425-I3454 HydrophobicContact CE-CG1 3.8Å; M3425-F3457 HydrophobicContact CE-CD2 3.54Å; M3425-F3457 VanDerWaalsContact CE-CD2 3.45Å; M3425-F3457 HydrophobicContact CE-CE2 3.69Å; M3425-F3457 VanDerWaalsContact CE-CE2 3.48Å; M3425-F3457 HydrophobicContact SD-CD2 4.34Å; M3425-F3457 HydrophobicContact SD-CE2 4.12Å; M3425-V3527 HydrophobicContact CB-CG1 3.77Å; M3425-V3527 HydrophobicContact CE-CG1 4.37Å; M3425-V3527 HydrophobicContact CG-CG1 3.88Å; M3425-V3527 HydrophobicContact SD-CG1 4.03Å; M3425-L3530 HydrophobicContact CE-CD1 4Å; M3425-L3530 HydrophobicContact SD-CB 4.27Å; M3425-L3530 HydrophobicContact SD-CD1 4Å; M3425-I3531 HydrophobicContact CB-CD1 4.06Å; M3425-I3531 HydrophobicContact CB-CG1 3.94Å |
| 3426 | V | 78.7 | Confident | 69.5 | Low | 15.4 Ų | 15.4 | 28.1 Ų | 28.1 | 9% | 0.093 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.5 | -48.2 | 176.1 | 170 | 0 | 0 | 0 | 0 | 111.2 | I3422 Q3423 V3424 H3428 F3429 N3430 I3531 K3535 | I3422-V3426 HydrophobicContact CG2-CG2 4.21Å; I3422-V3426 VanDerWaalsContact O-CG2 3.27Å; I3422-V3426 WeakPolarHBondContact O-CG2 3.39Å; I3422-V3426 PolarHBondContact O-N 3.09Å; Q3423-V3426 PolarHBondContact O-N 3.01Å; V3424-V3426 VanDerWaalsContact C-N 3.34Å; V3424-V3426 PolarHBondContact O-N 3.18Å; V3426-H3428 VanDerWaalsContact C-N 3.33Å; V3426-H3428 PolarHBondContact O-N 3.01Å; V3426-F3429 PolarHBondContact O-N 3.28Å; V3426-F3429 VanDerWaalsContact O-N 3.16Å; V3426-N3430 WeakPolarHBondContact CG1-ND2 3.42Å; V3426-N3430 WeakPolarHBondContact O-CB 3.38Å; V3426-N3430 VanDerWaalsContact O-CG 3.25Å; V3426-N3430 PolarHBondContact O-N 3.22Å; V3426-N3430 PolarHBondContact O-ND2 3.04Å; V3426-I3531 HydrophobicContact CB-CD1 4.48Å; V3426-I3531 HydrophobicContact CG2-CB 4.43Å; V3426-I3531 HydrophobicContact CG2-CD1 4.09Å; V3426-I3531 HydrophobicContact CG2-CG1 3.97Å; V3426-I3531 HydrophobicContact CG2-CG2 3.61Å; V3426-K3535 HydrophobicContact CG2-CD 4.14Å |
| 3427 | N | 74 | Confident | 68.1 | Low | 24.6 Ų | 24.6 | 31.8 Ų | 31.8 | 13% | 0.132 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.5 | -43.4 | -179.6 | -75.7 | -11.3 | 0 | 0 | 0 | 111.5 | Q3423 V3424 M3425 F3429 N3430 K3431 Y3704 | Q3423-N3427 WeakPolarHBondContact O-CB 3.24Å; Q3423-N3427 VanDerWaalsContact O-CG 3.26Å; Q3423-N3427 PolarHBondContact O-N 3.24Å; Q3423-N3427 PolarHBondContact O-ND2 3.33Å; V3424-N3427 PolarHBondContact O-N 3.29Å; M3425-N3427 PolarHBondContact O-N 3.36Å; N3427-F3429 VanDerWaalsContact C-N 3.32Å; N3427-F3429 PolarHBondContact O-N 3.12Å; N3427-N3430 PolarHBondContact O-N 3.27Å; N3427-K3431 VanDerWaalsContact O-CB 3.3Å; N3427-K3431 WeakPolarHBondContact O-CB 3.32Å; N3427-K3431 WeakPolarHBondContact O-CG 3.32Å; N3427-K3431 PolarHBondContact O-N 3.21Å; N3427-K3431 VanDerWaalsContact O-N 3.08Å; N3427-Y3704 WeakPolarHBondContact ND2-CB 3.49Å; N3427-Y3704 VanDerWaalsContact ND2-CD1 3.29Å; N3427-Y3704 WeakPolarHBondContact ND2-CD1 3.26Å; N3427-Y3704 VanDerWaalsContact ND2-CG 3.32Å |
| 3428 | H | 73.1 | Confident | 66.5 | Low | 11.4 Ų | 11.4 | 36.6 Ų | 36.6 | 5% | 0.053 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.8 | -41.9 | 174.4 | 177.6 | 41.5 | 0 | 0 | 0 | 112.6 | V3424 M3425 V3426 N3430 K3431 N3432 M3442 L3450 | V3424-H3428 WeakPolarHBondContact O-CB 3.4Å; V3424-H3428 PolarHBondContact O-N 3.15Å; M3425-H3428 PolarHBondContact O-N 3.17Å; V3426-H3428 VanDerWaalsContact C-N 3.33Å; V3426-H3428 PolarHBondContact O-N 3.01Å; H3428-N3430 PolarHBondContact O-N 3.02Å; H3428-K3431 WeakPolarHBondContact O-CB 3.24Å; H3428-K3431 PolarHBondContact O-N 2.96Å; H3428-N3432 PolarHBondContact CD2-ND2 2.88Å; H3428-N3432 VanDerWaalsContact CD2-ND2 3.34Å; H3428-N3432 PolarHBondContact CE1-ND2 3.15Å; H3428-N3432 PolarHBondContact ND1-ND2 3.3Å; H3428-N3432 PolarHBondContact NE2-ND2 2.88Å; H3428-N3432 PolarHBondContact O-N 3.34Å; H3428-N3432 VanDerWaalsContact O-N 3.11Å; H3428-N3432 PolarHBondContact O-ND2 3.45Å; H3428-M3442 VanDerWaalsContact CE1-CE 3.42Å; H3428-M3442 WeakPolarHBondContact CE1-CE 3.37Å; H3428-M3442 PolarHBondContact CE1-SD 3.33Å; H3428-M3442 WeakPolarHBondContact NE2-CE 3.46Å; H3428-M3442 PolarHBondContact NE2-SD 3.13Å; H3428-L3450 HydrophobicContact CB-CD1 4.15Å; H3428-L3450 HydrophobicContact CB-CD2 4.2Å; H3428-L3450 HydrophobicContact CB-CG 4.38Å; H3428-L3450 WeakPolarHBondContact CD2-CD1 3.27Å; H3428-L3450 VanDerWaalsContact CG-CD1 3.44Å; H3428-L3450 WeakPolarHBondContact ND1-CD1 3.01Å; H3428-L3450 WeakPolarHBondContact NE2-CD1 3.41Å |
| 3429 | F | 71.5 | Confident | 65 | Low | 26.8 Ų | 26.8 | 39.5 Ų | 39.5 | 12% | 0.118 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.7 | -43.8 | 179.2 | -150.7 | -91.4 | 0 | 0 | 0 | 112 | M3425 V3426 N3427 K3431 N3432 V3433 T3523 R3524 V3527 N3528 I3531 | M3425-F3429 VanDerWaalsContact O-CB 3.31Å; M3425-F3429 WeakPolarHBondContact O-CB 3.26Å; M3425-F3429 WeakPolarHBondContact O-CD2 3.4Å; M3425-F3429 PolarHBondContact O-N 3.28Å; V3426-F3429 PolarHBondContact O-N 3.28Å; V3426-F3429 VanDerWaalsContact O-N 3.16Å; N3427-F3429 VanDerWaalsContact C-N 3.32Å; N3427-F3429 PolarHBondContact O-N 3.12Å; F3429-K3431 VanDerWaalsContact C-N 3.31Å; F3429-K3431 PolarHBondContact O-N 3.11Å; F3429-N3432 PolarHBondContact O-N 3.06Å; F3429-N3432 VanDerWaalsContact O-N 3.12Å; F3429-V3433 HydrophobicContact CD1-CB 4.1Å; F3429-V3433 HydrophobicContact CD1-CG1 3.94Å; F3429-V3433 HydrophobicContact CD1-CG2 3.62Å; F3429-V3433 HydrophobicContact CD2-CB 3.98Å; F3429-V3433 HydrophobicContact CD2-CG1 4.29Å; F3429-V3433 HydrophobicContact CD2-CG2 3.73Å; F3429-V3433 HydrophobicContact CE1-CB 4.07Å; F3429-V3433 HydrophobicContact CE1-CG1 4.02Å; F3429-V3433 HydrophobicContact CE1-CG2 3.42Å; F3429-V3433 HydrophobicContact CE2-CB 3.83Å; F3429-V3433 HydrophobicContact CE2-CG1 3.62Å; F3429-V3433 HydrophobicContact CE2-CG2 3.73Å; F3429-V3433 HydrophobicContact CG-CB 4.19Å; F3429-V3433 HydrophobicContact CG-CG2 4.29Å; F3429-V3433 HydrophobicContact CZ-CB 3.94Å; F3429-V3433 HydrophobicContact CZ-CG1 3.75Å; F3429-V3433 VanDerWaalsContact CZ-CG1 3.47Å; F3429-V3433 HydrophobicContact CZ-CG2 3.8Å; F3429-V3433 VanDerWaalsContact O-CB 3.24Å; F3429-V3433 WeakPolarHBondContact O-CB 3.39Å; F3429-V3433 VanDerWaalsContact O-CG2 3.32Å; F3429-V3433 WeakPolarHBondContact O-CG2 3.3Å; F3429-V3433 PolarHBondContact O-N 3.17Å; F3429-T3523 VanDerWaalsContact CZ-O 3.24Å; F3429-T3523 WeakPolarHBondContact CZ-O 3.35Å; F3429-R3524 HydrophobicContact CE2-CB 4.46Å; F3429-R3524 HydrophobicContact CE2-CG 4.34Å; F3429-R3524 HydrophobicContact CZ-CB 4.14Å; F3429-R3524 HydrophobicContact CZ-CG 4.15Å; F3429-R3524 VanDerWaalsContact CZ-O 3.3Å; F3429-R3524 WeakPolarHBondContact CZ-O 3.47Å; F3429-V3527 HydrophobicContact CD2-CB 4.19Å; F3429-V3527 HydrophobicContact CD2-CG1 3.97Å; F3429-V3527 HydrophobicContact CE2-CB 3.66Å; F3429-V3527 HydrophobicContact CE2-CG1 3.88Å; F3429-V3527 HydrophobicContact CZ-CB 3.57Å; F3429-V3527 HydrophobicContact CZ-CG1 4.22Å; F3429-N3528 WeakPolarHBondContact CD1-OD1 3.46Å; F3429-N3528 HydrophobicContact CD2-CB 4.31Å; F3429-N3528 VanDerWaalsContact CD2-OD1 3.3Å; F3429-N3528 WeakPolarHBondContact CD2-OD1 3.41Å; F3429-N3528 HydrophobicContact CE1-CB 3.9Å; F3429-N3528 WeakPolarHBondContact CE1-OD1 3.35Å; F3429-N3528 HydrophobicContact CE2-CB 3.86Å; F3429-N3528 VanDerWaalsContact CE2-CG 3.43Å; F3429-N3528 VanDerWaalsContact CE2-N 3.3Å; F3429-N3528 WeakPolarHBondContact CE2-ND2 3.23Å; F3429-N3528 WeakPolarHBondContact CE2-OD1 3.42Å; F3429-N3528 WeakPolarHBondContact CG-OD1 3.49Å; F3429-N3528 HydrophobicContact CZ-CB 3.6Å; F3429-N3528 VanDerWaalsContact CZ-CB 3.44Å; F3429-N3528 VanDerWaalsContact CZ-CG 3.4Å; F3429-N3528 WeakPolarHBondContact CZ-ND2 3.36Å; F3429-N3528 WeakPolarHBondContact CZ-OD1 3.24Å; F3429-I3531 HydrophobicContact CB-CD1 3.9Å; F3429-I3531 HydrophobicContact CD2-CD1 3.89Å; F3429-I3531 HydrophobicContact CE2-CD1 3.64Å; F3429-I3531 HydrophobicContact CG-CD1 4.12Å |
| 3430 | N | 66.6 | Low | 63.8 | Low | 56.6 Ų | 56.6 | 43.4 Ų | 43.4 | 30% | 0.303 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.6 | -39.7 | 177.1 | -70 | -18.2 | 0 | 0 | 0 | 111.8 | V3426 N3427 H3428 N3432 V3433 I3434 | V3426-N3430 WeakPolarHBondContact CG1-ND2 3.42Å; V3426-N3430 WeakPolarHBondContact O-CB 3.38Å; V3426-N3430 VanDerWaalsContact O-CG 3.25Å; V3426-N3430 PolarHBondContact O-N 3.22Å; V3426-N3430 PolarHBondContact O-ND2 3.04Å; N3427-N3430 PolarHBondContact O-N 3.27Å; H3428-N3430 PolarHBondContact O-N 3.02Å; N3430-N3432 VanDerWaalsContact C-N 3.25Å; N3430-N3432 PolarHBondContact O-N 3.19Å; N3430-V3433 PolarHBondContact O-N 2.8Å; N3430-I3434 HydrophobicContact CB-CD1 4.28Å; N3430-I3434 VanDerWaalsContact O-CB 3.28Å; N3430-I3434 WeakPolarHBondContact O-CB 3.38Å; N3430-I3434 VanDerWaalsContact O-CD1 3.26Å; N3430-I3434 WeakPolarHBondContact O-CD1 3.36Å; N3430-I3434 VanDerWaalsContact O-CG1 3.27Å; N3430-I3434 WeakPolarHBondContact O-CG1 3.39Å; N3430-I3434 PolarHBondContact O-N 2.98Å |
| 3431 | K | 64.1 | Low | 62.7 | Low | 37 Ų | 37 | 47.8 Ų | 47.8 | 16% | 0.161 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 174.9 | -87.8 | -177.3 | -169.8 | 176.5 | 0 | 112.6 | N3427 H3428 F3429 E3435 D3446 H3697 E3701 | N3427-K3431 VanDerWaalsContact O-CB 3.3Å; N3427-K3431 WeakPolarHBondContact O-CB 3.32Å; N3427-K3431 WeakPolarHBondContact O-CG 3.32Å; N3427-K3431 PolarHBondContact O-N 3.21Å; N3427-K3431 VanDerWaalsContact O-N 3.08Å; H3428-K3431 WeakPolarHBondContact O-CB 3.24Å; H3428-K3431 PolarHBondContact O-N 2.96Å; F3429-K3431 VanDerWaalsContact C-N 3.31Å; F3429-K3431 PolarHBondContact O-N 3.11Å; K3431-E3435 PolarHBondContact O-N 2.76Å; K3431-E3435 VanDerWaalsContact O-N 3.11Å; K3431-D3446 IonicContact NZ-OD1 3Å; K3431-D3446 PolarHBondContact NZ-OD1 3.11Å; K3431-D3446 IonicContact NZ-OD2 3.14Å; K3431-D3446 PolarHBondContact NZ-OD2 2.94Å; K3431-D3446 VanDerWaalsContact NZ-OD2 3.14Å; K3431-H3697 WeakPolarHBondContact CD-CE1 3.33Å; K3431-H3697 VanDerWaalsContact CE-CE1 3.46Å; K3431-H3697 WeakPolarHBondContact CE-CE1 3.33Å; K3431-H3697 WeakPolarHBondContact CE-ND1 3.4Å; K3431-H3697 WeakPolarHBondContact CG-CE1 3.23Å; K3431-H3697 WeakPolarHBondContact CG-NE2 3.4Å; K3431-H3697 PolarHBondContact N-NE2 3.13Å; K3431-E3701 WeakPolarHBondContact CE-OE2 3.42Å; K3431-E3701 IonicContact NZ-OE1 2.97Å; K3431-E3701 PolarHBondContact NZ-OE1 3.26Å; K3431-E3701 IonicContact NZ-OE2 3.1Å; K3431-E3701 PolarHBondContact NZ-OE2 3.06Å |
| 3432 | N | 58.4 | Low | 62 | Low | 35 Ų | 35 | 49.2 Ų | 49.2 | 19% | 0.187 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -99 | -16.5 | -166.1 | -70.2 | -25.1 | 0 | 0 | 0 | 115.6 | H3428 F3429 N3430 S3439 Q3440 R3524 | H3428-N3432 PolarHBondContact CD2-ND2 2.88Å; H3428-N3432 VanDerWaalsContact CD2-ND2 3.34Å; H3428-N3432 PolarHBondContact CE1-ND2 3.15Å; H3428-N3432 PolarHBondContact ND1-ND2 3.3Å; H3428-N3432 PolarHBondContact NE2-ND2 2.88Å; H3428-N3432 PolarHBondContact O-N 3.34Å; H3428-N3432 VanDerWaalsContact O-N 3.11Å; H3428-N3432 PolarHBondContact O-ND2 3.45Å; F3429-N3432 PolarHBondContact O-N 3.06Å; F3429-N3432 VanDerWaalsContact O-N 3.12Å; N3430-N3432 VanDerWaalsContact C-N 3.25Å; N3430-N3432 PolarHBondContact O-N 3.19Å; N3432-S3439 WeakPolarHBondContact CA-OG 3.24Å; N3432-S3439 WeakPolarHBondContact OD1-CB 3.29Å; N3432-S3439 PolarHBondContact OD1-O 3.37Å; N3432-S3439 PolarHBondContact OD1-OG 2.71Å; N3432-Q3440 PolarHBondContact O-NE2 3.2Å; N3432-R3524 PolarHBondContact O-NH2 3.2Å |
| 3433 | V | 51.5 | Low | 61.5 | Low | 58.2 Ų | 58.2 | 51.6 Ų | 51.6 | 35% | 0.353 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -95.5 | -33.1 | -178.3 | 174.3 | 0 | 0 | 0 | 0 | 112.2 | F3429 N3430 R3524 | F3429-V3433 HydrophobicContact CD1-CB 4.1Å; F3429-V3433 HydrophobicContact CD1-CG1 3.94Å; F3429-V3433 HydrophobicContact CD1-CG2 3.62Å; F3429-V3433 HydrophobicContact CD2-CB 3.98Å; F3429-V3433 HydrophobicContact CD2-CG1 4.29Å; F3429-V3433 HydrophobicContact CD2-CG2 3.73Å; F3429-V3433 HydrophobicContact CE1-CB 4.07Å; F3429-V3433 HydrophobicContact CE1-CG1 4.02Å; F3429-V3433 HydrophobicContact CE1-CG2 3.42Å; F3429-V3433 HydrophobicContact CE2-CB 3.83Å; F3429-V3433 HydrophobicContact CE2-CG1 3.62Å; F3429-V3433 HydrophobicContact CE2-CG2 3.73Å; F3429-V3433 HydrophobicContact CG-CB 4.19Å; F3429-V3433 HydrophobicContact CG-CG2 4.29Å; F3429-V3433 HydrophobicContact CZ-CB 3.94Å; F3429-V3433 HydrophobicContact CZ-CG1 3.75Å; F3429-V3433 VanDerWaalsContact CZ-CG1 3.47Å; F3429-V3433 HydrophobicContact CZ-CG2 3.8Å; F3429-V3433 VanDerWaalsContact O-CB 3.24Å; F3429-V3433 WeakPolarHBondContact O-CB 3.39Å; F3429-V3433 VanDerWaalsContact O-CG2 3.32Å; F3429-V3433 WeakPolarHBondContact O-CG2 3.3Å; F3429-V3433 PolarHBondContact O-N 3.17Å; N3430-V3433 PolarHBondContact O-N 2.8Å; V3433-R3524 HydrophobicContact CB-CG 4.32Å; V3433-R3524 HydrophobicContact CG1-CB 4.43Å; V3433-R3524 HydrophobicContact CG1-CG 3.62Å; V3433-R3524 HydrophobicContact CG2-CG 3.76Å |
| 3434 | I | 50.4 | Low | 61.4 | Low | 80.8 Ų | 80.8 | 50.4 Ų | 50.4 | 41% | 0.414 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -80.1 | -31.6 | -175.5 | -57 | 175.3 | 0 | 0 | 0 | 111.4 | N3430 P3436 H3691 H3694 | N3430-I3434 HydrophobicContact CB-CD1 4.28Å; N3430-I3434 VanDerWaalsContact O-CB 3.28Å; N3430-I3434 WeakPolarHBondContact O-CB 3.38Å; N3430-I3434 VanDerWaalsContact O-CD1 3.26Å; N3430-I3434 WeakPolarHBondContact O-CD1 3.36Å; N3430-I3434 VanDerWaalsContact O-CG1 3.27Å; N3430-I3434 WeakPolarHBondContact O-CG1 3.39Å; N3430-I3434 PolarHBondContact O-N 2.98Å; I3434-P3436 VanDerWaalsContact C-CD 3.46Å; I3434-P3436 VanDerWaalsContact O-CD 3.31Å; I3434-P3436 WeakPolarHBondContact O-CD 3.36Å; I3434-H3691 HydrophobicContact CD1-CB 4.04Å; I3434-H3694 VanDerWaalsContact CG2-CE1 3.42Å; I3434-H3694 WeakPolarHBondContact CG2-CE1 3.27Å; I3434-H3694 WeakPolarHBondContact CG2-ND1 3.36Å |
| 3435 | E | 46.3 | Very low | 61.4 | Low | 73.4 Ų | 73.4 | 51.2 Ų | 51.2 | 34% | 0.343 | 29% | 0.288 | S | S | . | . | trans | -113.8 | 90.6 | 175.2 | -72.2 | -170.4 | 152.6 | 0 | 0 | 112.4 | K3431 S3437 V3438 S3439 Q3440 H3694 | K3431-E3435 PolarHBondContact O-N 2.76Å; K3431-E3435 VanDerWaalsContact O-N 3.11Å; E3435-S3437 PolarHBondContact O-N 3.05Å; E3435-S3437 VanDerWaalsContact O-N 3.15Å; E3435-V3438 PolarHBondContact O-N 2.55Å; E3435-S3439 VanDerWaalsContact O-CB 3.28Å; E3435-S3439 WeakPolarHBondContact O-CB 3.48Å; E3435-S3439 PolarHBondContact O-N 3.21Å; E3435-S3439 PolarHBondContact O-OG 2.73Å; E3435-S3439 VanDerWaalsContact O-OG 3.07Å; E3435-Q3440 PolarHBondContact OE2-NE2 2.7Å; E3435-H3694 VanDerWaalsContact CD-CE1 3.5Å; E3435-H3694 HydrophobicContact CG-CB 4.07Å; E3435-H3694 WeakPolarHBondContact OE1-CB 3.24Å; E3435-H3694 IonicContact OE1-CD2 3.74Å; E3435-H3694 PolarHBondContact OE1-CD2 3.45Å; E3435-H3694 VanDerWaalsContact OE1-CD2 3.23Å; E3435-H3694 IonicContact OE1-CE1 2.73Å; E3435-H3694 IonicContact OE1-CG 3.06Å; E3435-H3694 IonicContact OE1-NE2 3.27Å; E3435-H3694 IonicContact OE2-CE1 3.16Å; E3435-H3694 PolarHBondContact OE2-CE1 3.31Å; E3435-H3694 IonicContact OE2-NE2 2.72Å; E3435-H3694 PolarHBondContact OE2-NE2 2.88Å | ||
| 3436 | P | 45.3 | Very low | 61.2 | Low | 87 Ų | 87 | 51.8 Ų | 51.8 | 57% | 0.565 | 29% | 0.291 | S | S | * | . | trans | -75.1 | 8.1 | 175 | 30.9 | -34.2 | 0 | 0 | 0 | 113.4 | E2659 I3434 V3438 | E2659-P3436 WeakPolarHBondContact OE1-CD 3.43Å; E2659-P3436 WeakPolarHBondContact OE1-CG 3.4Å; I3434-P3436 VanDerWaalsContact C-CD 3.46Å; I3434-P3436 VanDerWaalsContact O-CD 3.31Å; I3434-P3436 WeakPolarHBondContact O-CD 3.36Å; P3436-V3438 PolarHBondContact O-N 2.99Å | ||
| 3437 | S | 42.1 | Very low | 61.2 | Low | 82.4 Ų | 82.4 | 51 Ų | 51 | 58% | 0.576 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | 20.6 | -175.5 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | E3435 S3439 Q3440 | E3435-S3437 PolarHBondContact O-N 3.05Å; E3435-S3437 VanDerWaalsContact O-N 3.15Å; S3437-S3439 PolarHBondContact O-N 3.41Å; S3437-Q3440 PolarHBondContact OG-NE2 3.19Å |
| 3438 | V | 39.1 | Very low | 61.7 | Low | 110 Ų | 110 | 49.9 Ų | 49.9 | 67% | 0.667 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -98 | 84.7 | -173.4 | -174.4 | 0 | 0 | 0 | 0 | 110.8 | E3435 P3436 Q3440 | E3435-V3438 PolarHBondContact O-N 2.55Å; P3436-V3438 PolarHBondContact O-N 2.99Å; V3438-Q3440 HydrophobicContact CB-CG 4.43Å; V3438-Q3440 HydrophobicContact CG1-CG 4.41Å; V3438-Q3440 PolarHBondContact O-N 3.21Å |
| 3439 | S | 43.5 | Very low | 62.3 | Low | 65.2 Ų | 65.2 | 49.5 Ų | 49.5 | 46% | 0.456 | 28% | 0.279 | S | S | . | . | trans | -65.5 | 56.1 | 176.6 | 61.6 | 0 | 0 | 0 | 0 | 113.3 | N3432 E3435 S3437 V3441 H3512 | N3432-S3439 WeakPolarHBondContact CA-OG 3.24Å; N3432-S3439 WeakPolarHBondContact OD1-CB 3.29Å; N3432-S3439 PolarHBondContact OD1-O 3.37Å; N3432-S3439 PolarHBondContact OD1-OG 2.71Å; E3435-S3439 VanDerWaalsContact O-CB 3.28Å; E3435-S3439 WeakPolarHBondContact O-CB 3.48Å; E3435-S3439 PolarHBondContact O-N 3.21Å; E3435-S3439 PolarHBondContact O-OG 2.73Å; E3435-S3439 VanDerWaalsContact O-OG 3.07Å; S3437-S3439 PolarHBondContact O-N 3.41Å; S3439-V3441 PolarHBondContact O-N 3.13Å; S3439-V3441 VanDerWaalsContact O-N 3.17Å; S3439-H3512 WeakPolarHBondContact CB-NE2 3.43Å | ||
| 3440 | Q | 50.2 | Low | 62.9 | Low | 89.2 Ų | 89.2 | 48.2 Ų | 48.2 | 42% | 0.417 | 27% | 0.273 | S | S | . | . | trans | -70.3 | 86.2 | 174.9 | -70.3 | -167 | 0.4 | 0 | 0 | 110.3 | N3432 E3435 S3437 V3438 M3442 H3512 R3524 | N3432-Q3440 PolarHBondContact O-NE2 3.2Å; E3435-Q3440 PolarHBondContact OE2-NE2 2.7Å; S3437-Q3440 PolarHBondContact OG-NE2 3.19Å; V3438-Q3440 HydrophobicContact CB-CG 4.43Å; V3438-Q3440 HydrophobicContact CG1-CG 4.41Å; V3438-Q3440 PolarHBondContact O-N 3.21Å; Q3440-M3442 PolarHBondContact O-N 3.28Å; Q3440-H3512 PolarHBondContact O-CE1 3.13Å; Q3440-H3512 PolarHBondContact O-NE2 3Å; Q3440-R3524 VanDerWaalsContact CD-NH2 3.33Å | ||
| 3441 | V | 56.2 | Low | 63.7 | Low | 92.6 Ų | 92.6 | 45.6 Ų | 45.6 | 56% | 0.561 | 26% | 0.259 | S | S | * | . | trans | -73.6 | 113.9 | 176 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | S3439 N3443 | S3439-V3441 PolarHBondContact O-N 3.13Å; S3439-V3441 VanDerWaalsContact O-N 3.17Å; V3441-N3443 PolarHBondContact O-N 3.24Å; V3441-N3443 VanDerWaalsContact O-N 3.1Å | ||
| 3442 | M | 66.4 | Low | 64.6 | Low | 28.6 Ų | 28.6 | 43.9 Ų | 43.9 | 14% | 0.141 | 25% | 0.252 | C | S | . | . | trans | -57.3 | 117.9 | 171.3 | -171 | 89.6 | -179.9 | 0 | 0 | 109.7 | H3428 Q3440 D3446 A3447 L3450 Y3495 I3498 | H3428-M3442 VanDerWaalsContact CE1-CE 3.42Å; H3428-M3442 WeakPolarHBondContact CE1-CE 3.37Å; H3428-M3442 PolarHBondContact CE1-SD 3.33Å; H3428-M3442 WeakPolarHBondContact NE2-CE 3.46Å; H3428-M3442 PolarHBondContact NE2-SD 3.13Å; Q3440-M3442 PolarHBondContact O-N 3.28Å; M3442-D3446 VanDerWaalsContact CE-C 3.43Å; M3442-D3446 HydrophobicContact CE-CB 3.7Å; M3442-D3446 HydrophobicContact SD-CB 4.05Å; M3442-A3447 HydrophobicContact CE-CB 4.03Å; M3442-A3447 HydrophobicContact CG-CB 4.11Å; M3442-A3447 HydrophobicContact SD-CB 3.86Å; M3442-L3450 HydrophobicContact CE-CB 4.42Å; M3442-L3450 HydrophobicContact CE-CD1 3.37Å; M3442-L3450 VanDerWaalsContact CE-CD1 3.42Å; M3442-L3450 HydrophobicContact CE-CG 4.29Å; M3442-L3450 HydrophobicContact SD-CD1 4.36Å; M3442-Y3495 HydrophobicContact CE-CD1 3.77Å; M3442-Y3495 HydrophobicContact CE-CE1 3.43Å; M3442-Y3495 VanDerWaalsContact CE-CE1 3.42Å; M3442-Y3495 HydrophobicContact CE-CG 4.25Å; M3442-Y3495 HydrophobicContact CG-CD1 4.39Å; M3442-Y3495 HydrophobicContact CG-CE1 4.31Å; M3442-Y3495 HydrophobicContact SD-CD1 3.99Å; M3442-Y3495 WeakPolarHBondContact SD-CD1 3.45Å; M3442-Y3495 HydrophobicContact SD-CE1 3.74Å; M3442-Y3495 WeakPolarHBondContact SD-CE1 3.18Å; M3442-I3498 HydrophobicContact CB-CD1 4.26Å; M3442-I3498 HydrophobicContact CB-CG2 4.38Å; M3442-I3498 HydrophobicContact CG-CD1 4.21Å; M3442-I3498 HydrophobicContact CG-CG2 4.28Å; M3442-I3498 HydrophobicContact SD-CD1 3.87Å | ||
| 3443 | N | 73.4 | Confident | 65.9 | Low | 55.2 Ų | 55.2 | 42.2 Ų | 42.2 | 30% | 0.295 | 24% | 0.243 | S | C | . | . | trans | -74.9 | 158.5 | 175.9 | 69.4 | 40.7 | 0 | 0 | 0 | 110.6 | V3441 E3445 D3446 A3447 | V3441-N3443 PolarHBondContact O-N 3.24Å; V3441-N3443 VanDerWaalsContact O-N 3.1Å; N3443-E3445 VanDerWaalsContact C-N 3.27Å; N3443-E3445 PolarHBondContact O-N 3.19Å; N3443-E3445 WeakPolarHBondContact OD1-CB 3.24Å; N3443-E3445 PolarHBondContact OD1-N 3.24Å; N3443-D3446 PolarHBondContact ND2-OD2 3.1Å; N3443-D3446 WeakPolarHBondContact OD1-CA 3.36Å; N3443-D3446 WeakPolarHBondContact OD1-CB 3.4Å; N3443-D3446 VanDerWaalsContact OD1-CG 3.22Å; N3443-D3446 PolarHBondContact OD1-N 3.28Å; N3443-D3446 PolarHBondContact OD1-OD1 3.4Å; N3443-D3446 PolarHBondContact OD1-OD2 3.34Å; N3443-A3447 WeakPolarHBondContact O-CB 3.28Å; N3443-A3447 PolarHBondContact O-N 3.36Å; N3443-A3447 VanDerWaalsContact O-N 3.14Å | ||
| 3444 | K | 76.8 | Confident | 67.3 | Low | 16.8 Ų | 16.8 | 39.4 Ų | 39.4 | 7% | 0.073 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.8 | -35.1 | -179.1 | -69.9 | -173.2 | 166.8 | -167.1 | 0 | 113.5 | A3371 K3375 A3447 A3448 A3501 H3506 | A3371-K3444 HydrophobicContact CB-CB 4.46Å; K3375-K3444 HydrophobicContact CB-CD 4.03Å; K3375-K3444 HydrophobicContact CG-CD 4.4Å; K3444-A3447 PolarHBondContact O-N 3.31Å; K3444-A3448 WeakPolarHBondContact O-CB 3.36Å; K3444-A3448 PolarHBondContact O-N 3Å; K3444-A3501 WeakPolarHBondContact CE-O 3.39Å; K3444-A3501 PolarHBondContact NZ-O 3.03Å; K3444-H3506 WeakPolarHBondContact CE-NE2 3.25Å |
| 3445 | E | 80.7 | Confident | 68.7 | Low | 28 Ų | 28 | 35.7 Ų | 35.7 | 13% | 0.131 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.1 | -50 | -172.5 | -67.9 | 160.3 | -129.7 | 0 | 0 | 111 | K3368 A3371 Y3372 K3375 N3443 A3447 A3448 A3449 | K3368-E3445 HydrophobicContact CD-CB 4.43Å; K3368-E3445 HydrophobicContact CG-CB 3.75Å; K3368-E3445 HydrophobicContact CG-CG 4.39Å; K3368-E3445 WeakPolarHBondContact CG-O 3.24Å; A3371-E3445 HydrophobicContact CB-CG 4.46Å; Y3372-E3445 HydrophobicContact CD2-CG 4.48Å; Y3372-E3445 WeakPolarHBondContact CD2-OE1 3.31Å; K3375-E3445 WeakPolarHBondContact CD-OE1 3.36Å; K3375-E3445 WeakPolarHBondContact CE-OE1 3.32Å; K3375-E3445 IonicContact NZ-OE1 2.95Å; K3375-E3445 PolarHBondContact NZ-OE1 3.39Å; N3443-E3445 VanDerWaalsContact C-N 3.27Å; N3443-E3445 PolarHBondContact O-N 3.19Å; N3443-E3445 WeakPolarHBondContact OD1-CB 3.24Å; N3443-E3445 PolarHBondContact OD1-N 3.24Å; E3445-A3447 VanDerWaalsContact C-N 3.33Å; E3445-A3447 PolarHBondContact O-N 2.92Å; E3445-A3448 PolarHBondContact O-N 3.18Å; E3445-A3449 WeakPolarHBondContact O-CB 3.11Å; E3445-A3449 PolarHBondContact O-N 3.26Å |
| 3446 | D | 76.9 | Confident | 70.1 | Confident | 13 Ų | 13 | 32.7 Ų | 32.7 | 7% | 0.07 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.2 | -34.3 | 175.5 | -64 | -21.4 | 0 | 0 | 0 | 110.6 | K3368 K3431 M3442 N3443 A3449 L3450 | K3368-D3446 WeakPolarHBondContact CE-OD1 3.44Å; K3368-D3446 IonicContact NZ-OD1 3.35Å; K3368-D3446 PolarHBondContact NZ-OD1 3.03Å; K3431-D3446 IonicContact NZ-OD1 3Å; K3431-D3446 PolarHBondContact NZ-OD1 3.11Å; K3431-D3446 IonicContact NZ-OD2 3.14Å; K3431-D3446 PolarHBondContact NZ-OD2 2.94Å; K3431-D3446 VanDerWaalsContact NZ-OD2 3.14Å; M3442-D3446 VanDerWaalsContact CE-C 3.43Å; M3442-D3446 HydrophobicContact CE-CB 3.7Å; M3442-D3446 HydrophobicContact SD-CB 4.05Å; N3443-D3446 PolarHBondContact ND2-OD2 3.1Å; N3443-D3446 WeakPolarHBondContact OD1-CA 3.36Å; N3443-D3446 WeakPolarHBondContact OD1-CB 3.4Å; N3443-D3446 VanDerWaalsContact OD1-CG 3.22Å; N3443-D3446 PolarHBondContact OD1-N 3.28Å; N3443-D3446 PolarHBondContact OD1-OD1 3.4Å; N3443-D3446 PolarHBondContact OD1-OD2 3.34Å; D3446-A3449 PolarHBondContact O-N 3.27Å; D3446-L3450 VanDerWaalsContact O-CB 3.32Å; D3446-L3450 WeakPolarHBondContact O-CB 3.37Å; D3446-L3450 VanDerWaalsContact O-CG 3.3Å; D3446-L3450 WeakPolarHBondContact O-CG 3.33Å; D3446-L3450 PolarHBondContact O-N 3.18Å |
| 3447 | A | 79.4 | Confident | 71.5 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65 | -43.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | M3442 N3443 K3444 E3445 A3449 L3450 S3451 Y3495 I3498 A3499 | M3442-A3447 HydrophobicContact CE-CB 4.03Å; M3442-A3447 HydrophobicContact CG-CB 4.11Å; M3442-A3447 HydrophobicContact SD-CB 3.86Å; N3443-A3447 WeakPolarHBondContact O-CB 3.28Å; N3443-A3447 PolarHBondContact O-N 3.36Å; N3443-A3447 VanDerWaalsContact O-N 3.14Å; K3444-A3447 PolarHBondContact O-N 3.31Å; E3445-A3447 VanDerWaalsContact C-N 3.33Å; E3445-A3447 PolarHBondContact O-N 2.92Å; A3447-A3449 VanDerWaalsContact C-N 3.35Å; A3447-A3449 PolarHBondContact O-N 3.08Å; A3447-L3450 PolarHBondContact O-N 3.11Å; A3447-S3451 VanDerWaalsContact O-CB 3.3Å; A3447-S3451 WeakPolarHBondContact O-CB 3.17Å; A3447-S3451 PolarHBondContact O-N 3.05Å; A3447-Y3495 HydrophobicContact CB-CD1 4.24Å; A3447-Y3495 WeakPolarHBondContact CB-O 3.42Å; A3447-Y3495 WeakPolarHBondContact O-CB 3.21Å; A3447-I3498 HydrophobicContact CB-CB 3.85Å; A3447-I3498 HydrophobicContact CB-CG2 3.64Å; A3447-A3499 HydrophobicContact CB-CB 4.34Å |
| 3448 | A | 83.8 | Confident | 72.9 | Confident | 1.4 Ų | 1.4 | 25.9 Ų | 25.9 | 1% | 0.012 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63 | -43.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | L3354 A3367 A3371 K3444 E3445 T3452 A3499 | L3354-A3448 HydrophobicContact CD1-CB 4.35Å; L3354-A3448 HydrophobicContact CD2-CB 4.03Å; A3367-A3448 HydrophobicContact CB-CB 4.31Å; A3367-A3448 WeakPolarHBondContact O-CB 3.21Å; A3371-A3448 HydrophobicContact CB-CB 3.49Å; A3371-A3448 VanDerWaalsContact CB-CB 3.45Å; K3444-A3448 WeakPolarHBondContact O-CB 3.36Å; K3444-A3448 PolarHBondContact O-N 3Å; E3445-A3448 PolarHBondContact O-N 3.18Å; A3448-T3452 WeakPolarHBondContact O-CB 3.23Å; A3448-T3452 PolarHBondContact O-N 3.1Å; A3448-T3452 VanDerWaalsContact O-N 3.11Å; A3448-T3452 PolarHBondContact O-OG1 3.26Å; A3448-A3499 HydrophobicContact CB-CB 3.86Å |
| 3449 | A | 85 | Confident | 74.1 | Confident | 2.2 Ų | 2.2 | 22.7 Ų | 22.7 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.9 | -46.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P3364 K3368 V3424 E3445 D3446 A3447 T3452 S3453 | P3364-A3449 HydrophobicContact CB-CB 4.44Å; K3368-A3449 HydrophobicContact CB-CB 4.26Å; K3368-A3449 HydrophobicContact CD-CB 4.32Å; V3424-A3449 HydrophobicContact CG1-CB 3.62Å; V3424-A3449 HydrophobicContact CG2-CB 4.3Å; E3445-A3449 WeakPolarHBondContact O-CB 3.11Å; E3445-A3449 PolarHBondContact O-N 3.26Å; D3446-A3449 PolarHBondContact O-N 3.27Å; A3447-A3449 VanDerWaalsContact C-N 3.35Å; A3447-A3449 PolarHBondContact O-N 3.08Å; A3449-T3452 WeakPolarHBondContact O-CB 3.09Å; A3449-T3452 PolarHBondContact O-N 3.22Å; A3449-S3453 WeakPolarHBondContact O-CB 3.28Å; A3449-S3453 PolarHBondContact O-N 3.22Å; A3449-S3453 PolarHBondContact O-OG 3.14Å |
| 3450 | L | 84.2 | Confident | 74.6 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.4 | -42.8 | 178 | -77.1 | 173.8 | 0 | 0 | 0 | 113.3 | V3424 M3425 H3428 M3442 D3446 A3447 T3452 S3453 I3454 Y3495 | V3424-L3450 HydrophobicContact CG1-CD2 4.39Å; V3424-L3450 HydrophobicContact CG1-CG 4.36Å; M3425-L3450 HydrophobicContact CB-CD2 4.42Å; M3425-L3450 HydrophobicContact CG-CD2 3.87Å; H3428-L3450 HydrophobicContact CB-CD1 4.15Å; H3428-L3450 HydrophobicContact CB-CD2 4.2Å; H3428-L3450 HydrophobicContact CB-CG 4.38Å; H3428-L3450 WeakPolarHBondContact CD2-CD1 3.27Å; H3428-L3450 VanDerWaalsContact CG-CD1 3.44Å; H3428-L3450 WeakPolarHBondContact ND1-CD1 3.01Å; H3428-L3450 WeakPolarHBondContact NE2-CD1 3.41Å; M3442-L3450 HydrophobicContact CE-CB 4.42Å; M3442-L3450 HydrophobicContact CE-CD1 3.37Å; M3442-L3450 VanDerWaalsContact CE-CD1 3.42Å; M3442-L3450 HydrophobicContact CE-CG 4.29Å; M3442-L3450 HydrophobicContact SD-CD1 4.36Å; D3446-L3450 VanDerWaalsContact O-CB 3.32Å; D3446-L3450 WeakPolarHBondContact O-CB 3.37Å; D3446-L3450 VanDerWaalsContact O-CG 3.3Å; D3446-L3450 WeakPolarHBondContact O-CG 3.33Å; D3446-L3450 PolarHBondContact O-N 3.18Å; A3447-L3450 PolarHBondContact O-N 3.11Å; L3450-T3452 VanDerWaalsContact C-N 3.27Å; L3450-T3452 PolarHBondContact O-N 3.15Å; L3450-S3453 PolarHBondContact O-N 3.2Å; L3450-S3453 VanDerWaalsContact O-N 3.15Å; L3450-I3454 WeakPolarHBondContact O-CB 3.39Å; L3450-I3454 VanDerWaalsContact O-CG1 3.26Å; L3450-I3454 WeakPolarHBondContact O-CG1 3.35Å; L3450-I3454 PolarHBondContact O-N 3.23Å; L3450-Y3495 HydrophobicContact CB-CD1 4.4Å; L3450-Y3495 HydrophobicContact CB-CD2 3.9Å; L3450-Y3495 HydrophobicContact CB-CE2 4.07Å; L3450-Y3495 HydrophobicContact CB-CG 4.18Å; L3450-Y3495 HydrophobicContact CD1-CD1 4.1Å; L3450-Y3495 HydrophobicContact CD1-CD2 4.35Å; L3450-Y3495 HydrophobicContact CD1-CE1 3.93Å; L3450-Y3495 VanDerWaalsContact CD1-CE1 3.5Å; L3450-Y3495 HydrophobicContact CD1-CE2 4.02Å; L3450-Y3495 HydrophobicContact CD1-CG 4.42Å; L3450-Y3495 VanDerWaalsContact CD1-CZ 3.47Å |
| 3451 | S | 83.5 | Confident | 74.7 | Confident | 1.4 Ų | 1.4 | 18.5 Ų | 18.5 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -54.3 | -48.2 | 174.4 | 174.1 | 0 | 0 | 0 | 0 | 110.2 | A3447 S3453 I3454 S3455 Q3492 T3496 | A3447-S3451 VanDerWaalsContact O-CB 3.3Å; A3447-S3451 WeakPolarHBondContact O-CB 3.17Å; A3447-S3451 PolarHBondContact O-N 3.05Å; S3451-S3453 PolarHBondContact O-N 3.27Å; S3451-I3454 PolarHBondContact O-N 3.2Å; S3451-S3455 VanDerWaalsContact O-CB 3.23Å; S3451-S3455 WeakPolarHBondContact O-CB 3.3Å; S3451-S3455 PolarHBondContact O-N 3.23Å; S3451-Q3492 WeakPolarHBondContact OG-CG 3.45Å; S3451-T3496 WeakPolarHBondContact OG-CG2 3.27Å; S3451-T3496 PolarHBondContact OG-OG1 3.2Å |
| 3452 | T | 83.9 | Confident | 74.4 | Confident | 0.8 Ų | 0.8 | 16.3 Ų | 16.3 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.6 | -46.6 | 178 | -59.6 | 0 | 0 | 0 | 0 | 112 | P3357 A3362 P3364 A3367 A3448 A3449 L3450 I3454 S3455 W3456 | P3357-T3452 HydrophobicContact CB-CG2 3.72Å; P3357-T3452 HydrophobicContact CG-CG2 4.29Å; A3362-T3452 WeakPolarHBondContact O-CG2 3.31Å; P3364-T3452 HydrophobicContact CB-CG2 4.46Å; P3364-T3452 HydrophobicContact CG-CG2 4.23Å; A3367-T3452 HydrophobicContact CB-CG2 4.26Å; A3367-T3452 WeakPolarHBondContact CB-OG1 3.25Å; A3448-T3452 WeakPolarHBondContact O-CB 3.23Å; A3448-T3452 PolarHBondContact O-N 3.1Å; A3448-T3452 VanDerWaalsContact O-N 3.11Å; A3448-T3452 PolarHBondContact O-OG1 3.26Å; A3449-T3452 WeakPolarHBondContact O-CB 3.09Å; A3449-T3452 PolarHBondContact O-N 3.22Å; L3450-T3452 VanDerWaalsContact C-N 3.27Å; L3450-T3452 PolarHBondContact O-N 3.15Å; T3452-I3454 VanDerWaalsContact C-N 3.34Å; T3452-I3454 PolarHBondContact O-N 3.07Å; T3452-S3455 WeakPolarHBondContact O-CA 3.32Å; T3452-S3455 VanDerWaalsContact O-CB 3.28Å; T3452-S3455 WeakPolarHBondContact O-CB 3.43Å; T3452-S3455 PolarHBondContact O-N 3.19Å; T3452-S3455 VanDerWaalsContact O-N 3.14Å; T3452-W3456 VanDerWaalsContact O-CD1 3.27Å; T3452-W3456 PolarHBondContact O-N 3.06Å |
| 3453 | S | 84.9 | Confident | 73.5 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61 | -44.6 | 178.7 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | P3364 C3421 A3449 L3450 S3451 S3455 W3456 F3457 | P3364-S3453 WeakPolarHBondContact CB-OG 3.37Å; P3364-S3453 VanDerWaalsContact CG-OG 3.28Å; P3364-S3453 WeakPolarHBondContact CG-OG 3.39Å; C3421-S3453 WeakPolarHBondContact CA-OG 3.4Å; A3449-S3453 WeakPolarHBondContact O-CB 3.28Å; A3449-S3453 PolarHBondContact O-N 3.22Å; A3449-S3453 PolarHBondContact O-OG 3.14Å; L3450-S3453 PolarHBondContact O-N 3.2Å; L3450-S3453 VanDerWaalsContact O-N 3.15Å; S3451-S3453 PolarHBondContact O-N 3.27Å; S3453-S3455 VanDerWaalsContact C-N 3.3Å; S3453-S3455 PolarHBondContact O-N 3.18Å; S3453-W3456 VanDerWaalsContact O-CA 3.32Å; S3453-W3456 WeakPolarHBondContact O-CA 3.2Å; S3453-W3456 PolarHBondContact O-N 3.14Å; S3453-F3457 WeakPolarHBondContact O-CD2 3.34Å; S3453-F3457 PolarHBondContact O-N 3.13Å; S3453-F3457 VanDerWaalsContact O-N 3.15Å |
| 3454 | I | 82.2 | Confident | 72.4 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.7 | -40 | 175.9 | -67.7 | 170.3 | 0 | 0 | 0 | 110.2 | M3425 L3450 S3451 T3452 W3456 F3457 L3458 L3488 L3491 Q3492 Y3495 | M3425-I3454 HydrophobicContact CE-CG1 3.8Å; L3450-I3454 WeakPolarHBondContact O-CB 3.39Å; L3450-I3454 VanDerWaalsContact O-CG1 3.26Å; L3450-I3454 WeakPolarHBondContact O-CG1 3.35Å; L3450-I3454 PolarHBondContact O-N 3.23Å; S3451-I3454 PolarHBondContact O-N 3.2Å; T3452-I3454 VanDerWaalsContact C-N 3.34Å; T3452-I3454 PolarHBondContact O-N 3.07Å; I3454-W3456 VanDerWaalsContact C-N 3.33Å; I3454-W3456 PolarHBondContact O-N 3.14Å; I3454-F3457 PolarHBondContact O-N 3Å; I3454-F3457 VanDerWaalsContact O-N 3.16Å; I3454-L3458 HydrophobicContact CG2-CD1 3.48Å; I3454-L3458 VanDerWaalsContact CG2-CD1 3.45Å; I3454-L3458 HydrophobicContact CG2-CG 4.15Å; I3454-L3458 VanDerWaalsContact O-CB 3.23Å; I3454-L3458 WeakPolarHBondContact O-CB 3.39Å; I3454-L3458 WeakPolarHBondContact O-CD1 3.37Å; I3454-L3458 VanDerWaalsContact O-CG 3.26Å; I3454-L3458 WeakPolarHBondContact O-CG 3.45Å; I3454-L3458 PolarHBondContact O-N 3.23Å; I3454-L3488 HydrophobicContact CG2-CB 4.15Å; I3454-L3488 HydrophobicContact CG2-CD2 4.4Å; I3454-L3488 WeakPolarHBondContact CG2-O 3.36Å; I3454-L3491 HydrophobicContact CD1-CB 3.91Å; I3454-L3491 HydrophobicContact CD1-CD1 4.39Å; I3454-Q3492 HydrophobicContact CB-CB 4.42Å; I3454-Q3492 HydrophobicContact CG2-CB 3.9Å; I3454-Y3495 HydrophobicContact CD1-CD2 3.78Å; I3454-Y3495 HydrophobicContact CD1-CE2 3.77Å |
| 3455 | S | 78.7 | Confident | 71.2 | Confident | 1.8 Ų | 1.8 | 21.2 Ų | 21.2 | 1% | 0.013 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56 | -50.8 | 175.4 | -146.2 | 0 | 0 | 0 | 0 | 111.6 | R3235 I3358 S3451 T3452 S3453 F3457 L3458 S3459 Q3492 | R3235-S3455 PolarHBondContact NH1-OG 3.4Å; R3235-S3455 PolarHBondContact NH2-O 2.89Å; R3235-S3455 PolarHBondContact NH2-OG 3.16Å; I3358-S3455 WeakPolarHBondContact CD1-O 3.23Å; I3358-S3455 WeakPolarHBondContact CD1-OG 3.35Å; I3358-S3455 WeakPolarHBondContact CG1-OG 3.34Å; S3451-S3455 VanDerWaalsContact O-CB 3.23Å; S3451-S3455 WeakPolarHBondContact O-CB 3.3Å; S3451-S3455 PolarHBondContact O-N 3.23Å; T3452-S3455 WeakPolarHBondContact O-CA 3.32Å; T3452-S3455 VanDerWaalsContact O-CB 3.28Å; T3452-S3455 WeakPolarHBondContact O-CB 3.43Å; T3452-S3455 PolarHBondContact O-N 3.19Å; T3452-S3455 VanDerWaalsContact O-N 3.14Å; S3453-S3455 VanDerWaalsContact C-N 3.3Å; S3453-S3455 PolarHBondContact O-N 3.18Å; S3455-F3457 VanDerWaalsContact C-N 3.3Å; S3455-F3457 PolarHBondContact O-N 3.1Å; S3455-L3458 CarbonylContact O-C 3.54Å; S3455-L3458 VanDerWaalsContact O-CA 3.31Å; S3455-L3458 WeakPolarHBondContact O-CA 3.34Å; S3455-L3458 PolarHBondContact O-N 3.25Å; S3455-L3458 VanDerWaalsContact O-N 3.1Å; S3455-S3459 WeakPolarHBondContact O-CB 3.46Å; S3455-S3459 PolarHBondContact O-N 3.33Å; S3455-S3459 VanDerWaalsContact O-N 3.1Å; S3455-S3459 PolarHBondContact O-OG 3.1Å; S3455-Q3492 VanDerWaalsContact CB-NE2 3.31Å; S3455-Q3492 PolarHBondContact OG-NE2 3.17Å; S3455-Q3492 VanDerWaalsContact OG-NE2 3.12Å |
| 3456 | W | 76.7 | Confident | 69.6 | Low | 11.8 Ų | 11.8 | 21.9 Ų | 21.9 | 5% | 0.045 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -48.7 | -45.1 | 169.2 | -72.6 | 98.5 | 0 | 0 | 0 | 114.9 | L3361 A3362 N3414 I3417 T3452 S3453 I3454 L3458 S3459 N3461 | L3361-W3456 HydrophobicContact CD2-CH2 3.87Å; L3361-W3456 HydrophobicContact CD2-CZ2 4.28Å; A3362-W3456 PolarHBondContact O-NE1 3.17Å; N3414-W3456 WeakPolarHBondContact OD1-CZ3 3.21Å; I3417-W3456 HydrophobicContact CD1-CH2 3.71Å; I3417-W3456 HydrophobicContact CD1-CZ2 3.87Å; I3417-W3456 HydrophobicContact CD1-CZ3 4.18Å; I3417-W3456 HydrophobicContact CG2-CD2 3.69Å; I3417-W3456 HydrophobicContact CG2-CE3 4.06Å; I3417-W3456 HydrophobicContact CG2-CG 4.05Å; I3417-W3456 HydrophobicContact CG2-CH2 4.29Å; I3417-W3456 HydrophobicContact CG2-CZ2 4Å; I3417-W3456 HydrophobicContact CG2-CZ3 4.23Å; T3452-W3456 VanDerWaalsContact O-CD1 3.27Å; T3452-W3456 PolarHBondContact O-N 3.06Å; S3453-W3456 VanDerWaalsContact O-CA 3.32Å; S3453-W3456 WeakPolarHBondContact O-CA 3.2Å; S3453-W3456 PolarHBondContact O-N 3.14Å; I3454-W3456 VanDerWaalsContact C-N 3.33Å; I3454-W3456 PolarHBondContact O-N 3.14Å; W3456-L3458 VanDerWaalsContact C-N 3.32Å; W3456-L3458 PolarHBondContact O-N 3.09Å; W3456-S3459 WeakPolarHBondContact O-CA 3.42Å; W3456-S3459 PolarHBondContact O-N 2.87Å; W3456-S3459 PolarHBondContact O-OG 3.1Å; W3456-S3459 VanDerWaalsContact O-OG 3.13Å; W3456-N3461 VanDerWaalsContact CE3-ND2 3.32Å; W3456-N3461 PolarHBondContact O-ND2 3.23Å |
| 3457 | F | 74 | Confident | 68.4 | Low | 13.2 Ų | 13.2 | 27.3 Ų | 27.3 | 6% | 0.058 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.4 | -33.7 | 174.4 | -79.3 | -69.2 | 0 | 0 | 0 | 112.9 | I3418 C3421 I3422 M3425 S3453 I3454 S3455 S3459 L3465 L3530 W3534 | I3418-F3457 HydrophobicContact CG2-CE1 3.86Å; I3418-F3457 HydrophobicContact CG2-CE2 4.42Å; I3418-F3457 HydrophobicContact CG2-CZ 3.89Å; C3421-F3457 HydrophobicContact CB-CD2 4.36Å; C3421-F3457 HydrophobicContact CB-CE2 3.61Å; C3421-F3457 VanDerWaalsContact CB-CE2 3.47Å; C3421-F3457 HydrophobicContact CB-CZ 4.08Å; I3422-F3457 HydrophobicContact CD1-CE1 4.13Å; I3422-F3457 HydrophobicContact CD1-CE2 3.76Å; I3422-F3457 HydrophobicContact CD1-CZ 3.32Å; I3422-F3457 VanDerWaalsContact CD1-CZ 3.47Å; I3422-F3457 HydrophobicContact CG1-CE2 4.32Å; I3422-F3457 HydrophobicContact CG1-CZ 3.69Å; M3425-F3457 HydrophobicContact CE-CD2 3.54Å; M3425-F3457 VanDerWaalsContact CE-CD2 3.45Å; M3425-F3457 HydrophobicContact CE-CE2 3.69Å; M3425-F3457 VanDerWaalsContact CE-CE2 3.48Å; M3425-F3457 HydrophobicContact SD-CD2 4.34Å; M3425-F3457 HydrophobicContact SD-CE2 4.12Å; S3453-F3457 WeakPolarHBondContact O-CD2 3.34Å; S3453-F3457 PolarHBondContact O-N 3.13Å; S3453-F3457 VanDerWaalsContact O-N 3.15Å; I3454-F3457 PolarHBondContact O-N 3Å; I3454-F3457 VanDerWaalsContact O-N 3.16Å; S3455-F3457 VanDerWaalsContact C-N 3.3Å; S3455-F3457 PolarHBondContact O-N 3.1Å; F3457-S3459 VanDerWaalsContact C-N 3.27Å; F3457-S3459 PolarHBondContact O-N 3.34Å; F3457-S3459 VanDerWaalsContact O-N 3.12Å; F3457-L3465 HydrophobicContact CE1-CD1 4.26Å; F3457-L3530 HydrophobicContact CD1-CD2 4.5Å; F3457-L3530 HydrophobicContact CD2-CD1 4.32Å; F3457-W3534 AromaticContact CD1-NE1 3.83Å; F3457-W3534 AromaticContact CE1-CD1 3.58Å; F3457-W3534 HydrophobicContact CE1-CD2 4.29Å; F3457-W3534 AromaticContact CE1-CE2 3.83Å; F3457-W3534 AromaticContact CE1-CG 3.97Å; F3457-W3534 HydrophobicContact CE1-CG 4.06Å; F3457-W3534 HydrophobicContact CE1-CZ2 4.45Å; F3457-W3534 AromaticContact CE1-NE1 3.54Å; F3457-W3534 AromaticContact CZ-CD1 3.9Å; F3457-W3534 HydrophobicContact CZ-CG 4.4Å |
| 3458 | L | 71 | Confident | 67.2 | Low | 13.2 Ų | 13.2 | 28.6 Ų | 28.6 | 7% | 0.069 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -80.5 | -6.6 | 179.3 | -68 | 170.8 | 0 | 0 | 0 | 113.6 | R3235 I3454 S3455 W3456 G3460 W3485 L3488 M3489 Q3492 | R3235-L3458 PolarHBondContact NE-O 3.49Å; R3235-L3458 VanDerWaalsContact NH1-CB 3.34Å; R3235-L3458 PolarHBondContact NH1-O 3.1Å; R3235-L3458 PolarHBondContact NH2-O 3.26Å; I3454-L3458 HydrophobicContact CG2-CD1 3.48Å; I3454-L3458 VanDerWaalsContact CG2-CD1 3.45Å; I3454-L3458 HydrophobicContact CG2-CG 4.15Å; I3454-L3458 VanDerWaalsContact O-CB 3.23Å; I3454-L3458 WeakPolarHBondContact O-CB 3.39Å; I3454-L3458 WeakPolarHBondContact O-CD1 3.37Å; I3454-L3458 VanDerWaalsContact O-CG 3.26Å; I3454-L3458 WeakPolarHBondContact O-CG 3.45Å; I3454-L3458 PolarHBondContact O-N 3.23Å; S3455-L3458 CarbonylContact O-C 3.54Å; S3455-L3458 VanDerWaalsContact O-CA 3.31Å; S3455-L3458 WeakPolarHBondContact O-CA 3.34Å; S3455-L3458 PolarHBondContact O-N 3.25Å; S3455-L3458 VanDerWaalsContact O-N 3.1Å; W3456-L3458 VanDerWaalsContact C-N 3.32Å; W3456-L3458 PolarHBondContact O-N 3.09Å; L3458-G3460 PolarHBondContact O-N 3.09Å; L3458-W3485 HydrophobicContact CD2-CD2 4.46Å; L3458-W3485 HydrophobicContact CD2-CG 4.19Å; L3458-L3488 HydrophobicContact CD1-CB 4.07Å; L3458-L3488 HydrophobicContact CD2-CB 3.89Å; L3458-L3488 HydrophobicContact CD2-CD1 4.28Å; L3458-L3488 HydrophobicContact CG-CB 4.31Å; L3458-M3489 HydrophobicContact CB-CE 3.62Å; L3458-M3489 HydrophobicContact CD1-CE 3.42Å; L3458-M3489 HydrophobicContact CD1-CG 4.03Å; L3458-M3489 HydrophobicContact CD1-SD 3.87Å; L3458-M3489 HydrophobicContact CD2-CE 3.84Å; L3458-M3489 VanDerWaalsContact CD2-CE 3.43Å; L3458-M3489 HydrophobicContact CG-CE 3.76Å; L3458-Q3492 HydrophobicContact CD1-CB 4.47Å; L3458-Q3492 VanDerWaalsContact CD1-OE1 3.26Å |
| 3459 | S | 64.6 | Low | 65.5 | Low | 41.4 Ų | 41.4 | 30.1 Ų | 30.1 | 29% | 0.29 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -1.8 | 179.8 | 54 | 0 | 0 | 0 | 0 | 115.8 | I3358 S3455 W3456 F3457 N3461 | I3358-S3459 VanDerWaalsContact CD1-CB 3.47Å; I3358-S3459 WeakPolarHBondContact CD1-OG 3.21Å; I3358-S3459 VanDerWaalsContact CG1-OG 3.28Å; I3358-S3459 WeakPolarHBondContact CG1-OG 3.34Å; I3358-S3459 WeakPolarHBondContact CG2-OG 3.46Å; S3455-S3459 WeakPolarHBondContact O-CB 3.46Å; S3455-S3459 PolarHBondContact O-N 3.33Å; S3455-S3459 VanDerWaalsContact O-N 3.1Å; S3455-S3459 PolarHBondContact O-OG 3.1Å; W3456-S3459 WeakPolarHBondContact O-CA 3.42Å; W3456-S3459 PolarHBondContact O-N 2.87Å; W3456-S3459 PolarHBondContact O-OG 3.1Å; W3456-S3459 VanDerWaalsContact O-OG 3.13Å; F3457-S3459 VanDerWaalsContact C-N 3.27Å; F3457-S3459 PolarHBondContact O-N 3.34Å; F3457-S3459 VanDerWaalsContact O-N 3.12Å; S3459-N3461 PolarHBondContact OG-ND2 2.92Å |
| 3460 | G | 54.2 | Low | 63.7 | Low | 41.2 Ų | 41.2 | 35.9 Ų | 35.9 | 43% | 0.425 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 21.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L3458 L3462 | L3458-G3460 PolarHBondContact O-N 3.09Å; G3460-L3462 PolarHBondContact O-N 3.13Å |
| 3461 | N | 52.1 | Low | 61.6 | Low | 26 Ų | 26 | 41.4 Ų | 41.4 | 14% | 0.139 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 11.9 | 168.9 | -72 | -21.4 | 0 | 0 | 0 | 113.6 | T3413 N3414 I3418 W3456 S3459 D3463 F3464 L3465 | T3413-N3461 HydrophobicContact CG2-CB 4.32Å; N3414-N3461 PolarHBondContact ND2-OD1 3.29Å; N3414-N3461 PolarHBondContact OD1-ND2 3.08Å; I3418-N3461 HydrophobicContact CD1-CB 4.16Å; W3456-N3461 VanDerWaalsContact CE3-ND2 3.32Å; W3456-N3461 PolarHBondContact O-ND2 3.23Å; S3459-N3461 PolarHBondContact OG-ND2 2.92Å; N3461-D3463 VanDerWaalsContact C-N 3.34Å; N3461-D3463 PolarHBondContact O-N 3.37Å; N3461-F3464 WeakPolarHBondContact O-CB 3.34Å; N3461-F3464 PolarHBondContact O-N 3.17Å; N3461-L3465 WeakPolarHBondContact O-CB 3.39Å; N3461-L3465 WeakPolarHBondContact O-CD1 3.34Å; N3461-L3465 VanDerWaalsContact O-CG 3.3Å; N3461-L3465 WeakPolarHBondContact O-CG 3.36Å; N3461-L3465 PolarHBondContact O-N 3.23Å |
| 3462 | L | 49.2 | Very low | 59.6 | Low | 47 Ų | 47 | 46.2 Ų | 46.2 | 25% | 0.246 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.6 | -30.7 | -177.8 | -72.3 | 164.1 | 0 | 0 | 0 | 113 | G3460 F3464 L3465 S3466 I3479 N3480 W3534 | G3460-L3462 PolarHBondContact O-N 3.13Å; L3462-F3464 VanDerWaalsContact C-N 3.3Å; L3462-F3464 PolarHBondContact O-N 3.31Å; L3462-L3465 HydrophobicContact CD2-CD1 3.85Å; L3462-L3465 HydrophobicContact CG-CD1 4.41Å; L3462-L3465 VanDerWaalsContact O-CB 3.31Å; L3462-L3465 WeakPolarHBondContact O-CB 3.37Å; L3462-L3465 PolarHBondContact O-N 3.25Å; L3462-L3465 VanDerWaalsContact O-N 3.11Å; L3462-S3466 PolarHBondContact O-N 3.27Å; L3462-I3479 HydrophobicContact CD1-CB 3.9Å; L3462-I3479 HydrophobicContact CD1-CD1 3.65Å; L3462-I3479 HydrophobicContact CD1-CG1 4.13Å; L3462-I3479 HydrophobicContact CD1-CG2 3.89Å; L3462-I3479 HydrophobicContact CD2-CB 4.1Å; L3462-I3479 HydrophobicContact CD2-CD1 3.49Å; L3462-I3479 VanDerWaalsContact CD2-CD1 3.48Å; L3462-I3479 HydrophobicContact CD2-CG1 4.17Å; L3462-I3479 HydrophobicContact CD2-CG2 4.11Å; L3462-I3479 HydrophobicContact CG-CD1 4.11Å; L3462-I3479 HydrophobicContact CG-CG2 4.42Å; L3462-N3480 WeakPolarHBondContact CD1-OD1 3.45Å; L3462-W3534 HydrophobicContact CD2-CH2 3.97Å; L3462-W3534 HydrophobicContact CD2-CZ2 3.69Å; L3462-W3534 VanDerWaalsContact CD2-CZ2 3.42Å |
| 3463 | D | 47.5 | Very low | 57.7 | Low | 132.6 Ų | 132.6 | 51.2 Ų | 51.2 | 71% | 0.709 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.5 | -40.7 | 179.8 | -68.3 | -14.4 | 0 | 0 | 0 | 110.7 | N3461 L3465 S3466 | N3461-D3463 VanDerWaalsContact C-N 3.34Å; N3461-D3463 PolarHBondContact O-N 3.37Å; D3463-L3465 VanDerWaalsContact C-N 3.27Å; D3463-L3465 PolarHBondContact O-N 3.12Å; D3463-S3466 WeakPolarHBondContact O-CB 3.25Å; D3463-S3466 PolarHBondContact O-N 3.06Å; D3463-S3466 VanDerWaalsContact O-N 3.14Å; D3463-S3466 PolarHBondContact O-OG 3.39Å |
| 3464 | F | 50.6 | Low | 55.7 | Low | 62.4 Ų | 62.4 | 59.9 Ų | 59.9 | 27% | 0.274 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.3 | -31.1 | 174.3 | -179.2 | -102.4 | 0 | 0 | 0 | 113.4 | T3413 V3415 I3418 N3461 L3462 S3466 D3467 I3468 W3534 L3538 | T3413-F3464 HydrophobicContact CG2-CB 3.89Å; T3413-F3464 HydrophobicContact CG2-CD1 3.87Å; T3413-F3464 HydrophobicContact CG2-CD2 3.58Å; T3413-F3464 HydrophobicContact CG2-CE1 4.3Å; T3413-F3464 HydrophobicContact CG2-CE2 4.04Å; T3413-F3464 HydrophobicContact CG2-CG 3.91Å; T3413-F3464 VanDerWaalsContact CG2-CG 3.45Å; T3413-F3464 HydrophobicContact CG2-CZ 4.38Å; T3413-F3464 WeakPolarHBondContact OG1-CB 3.27Å; T3413-F3464 WeakPolarHBondContact OG1-CD1 2.84Å; T3413-F3464 WeakPolarHBondContact OG1-CD2 2.78Å; T3413-F3464 WeakPolarHBondContact OG1-CG 3.21Å; V3415-F3464 HydrophobicContact CB-CE1 4.42Å; V3415-F3464 HydrophobicContact CB-CE2 4.34Å; V3415-F3464 HydrophobicContact CB-CZ 3.93Å; V3415-F3464 HydrophobicContact CG1-CE1 4.18Å; V3415-F3464 HydrophobicContact CG1-CE2 4.34Å; V3415-F3464 HydrophobicContact CG1-CZ 3.56Å; V3415-F3464 HydrophobicContact CG2-CD1 4.33Å; V3415-F3464 HydrophobicContact CG2-CD2 3.99Å; V3415-F3464 HydrophobicContact CG2-CE1 3.67Å; V3415-F3464 HydrophobicContact CG2-CE2 3.83Å; V3415-F3464 HydrophobicContact CG2-CZ 3.64Å; I3418-F3464 HydrophobicContact CD1-CD1 3.74Å; I3418-F3464 HydrophobicContact CD1-CE1 4.07Å; N3461-F3464 WeakPolarHBondContact O-CB 3.34Å; N3461-F3464 PolarHBondContact O-N 3.17Å; L3462-F3464 VanDerWaalsContact C-N 3.3Å; L3462-F3464 PolarHBondContact O-N 3.31Å; F3464-S3466 VanDerWaalsContact C-N 3.28Å; F3464-S3466 PolarHBondContact O-N 3.18Å; F3464-D3467 HydrophobicContact CD2-CB 4.41Å; F3464-D3467 WeakPolarHBondContact O-CB 3.45Å; F3464-D3467 PolarHBondContact O-N 3.1Å; F3464-D3467 VanDerWaalsContact O-N 3.09Å; F3464-I3468 HydrophobicContact CD1-CD1 4.04Å; F3464-I3468 HydrophobicContact CD1-CG1 4.37Å; F3464-I3468 HydrophobicContact CD2-CG1 4.47Å; F3464-I3468 HydrophobicContact CE1-CD1 3.58Å; F3464-I3468 HydrophobicContact CE1-CG1 4.1Å; F3464-I3468 HydrophobicContact CE2-CD1 3.99Å; F3464-I3468 HydrophobicContact CE2-CG1 3.72Å; F3464-I3468 HydrophobicContact CG-CD1 4.49Å; F3464-I3468 HydrophobicContact CZ-CD1 3.65Å; F3464-I3468 HydrophobicContact CZ-CG1 3.27Å; F3464-I3468 PolarHBondContact O-N 3.02Å; F3464-W3534 HydrophobicContact CD1-CH2 4.48Å; F3464-W3534 HydrophobicContact CD1-CZ3 4.3Å; F3464-W3534 HydrophobicContact CE1-CZ3 4.33Å; F3464-L3538 HydrophobicContact CE1-CD2 4.5Å |
| 3465 | L | 51.4 | Low | 53.8 | Low | 7.4 Ų | 7.4 | 65.6 Ų | 65.6 | 4% | 0.039 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.3 | -22.9 | 177.3 | -71.2 | 168 | 0 | 0 | 0 | 112.5 | I3418 F3457 N3461 L3462 D3463 D3467 I3468 V3469 I3479 F3533 W3534 L3538 | I3418-L3465 HydrophobicContact CD1-CD1 3.82Å; I3418-L3465 VanDerWaalsContact CD1-CD1 3.42Å; I3418-L3465 HydrophobicContact CD1-CD2 4.01Å; I3418-L3465 HydrophobicContact CD1-CG 4Å; I3418-L3465 HydrophobicContact CG2-CD1 4.33Å; I3418-L3465 HydrophobicContact CG2-CD2 4.23Å; F3457-L3465 HydrophobicContact CE1-CD1 4.26Å; N3461-L3465 WeakPolarHBondContact O-CB 3.39Å; N3461-L3465 WeakPolarHBondContact O-CD1 3.34Å; N3461-L3465 VanDerWaalsContact O-CG 3.3Å; N3461-L3465 WeakPolarHBondContact O-CG 3.36Å; N3461-L3465 PolarHBondContact O-N 3.23Å; L3462-L3465 HydrophobicContact CD2-CD1 3.85Å; L3462-L3465 HydrophobicContact CG-CD1 4.41Å; L3462-L3465 VanDerWaalsContact O-CB 3.31Å; L3462-L3465 WeakPolarHBondContact O-CB 3.37Å; L3462-L3465 PolarHBondContact O-N 3.25Å; L3462-L3465 VanDerWaalsContact O-N 3.11Å; D3463-L3465 VanDerWaalsContact C-N 3.27Å; D3463-L3465 PolarHBondContact O-N 3.12Å; L3465-D3467 VanDerWaalsContact C-N 3.26Å; L3465-D3467 PolarHBondContact O-N 3.01Å; L3465-I3468 HydrophobicContact CD2-CD1 4.02Å; L3465-I3468 VanDerWaalsContact CD2-CD1 3.44Å; L3465-I3468 HydrophobicContact CD2-CG1 4.29Å; L3465-I3468 PolarHBondContact O-N 3.25Å; L3465-I3468 VanDerWaalsContact O-N 3.15Å; L3465-V3469 WeakPolarHBondContact O-CB 3.47Å; L3465-V3469 VanDerWaalsContact O-CG2 3.22Å; L3465-V3469 WeakPolarHBondContact O-CG2 3.13Å; L3465-V3469 PolarHBondContact O-N 2.88Å; L3465-I3479 HydrophobicContact CD1-CD1 4.41Å; L3465-F3533 HydrophobicContact CD2-CE1 4.24Å; L3465-F3533 HydrophobicContact CD2-CZ 4.36Å; L3465-W3534 HydrophobicContact CB-CH2 3.6Å; L3465-W3534 HydrophobicContact CB-CZ2 4.28Å; L3465-W3534 HydrophobicContact CB-CZ3 3.95Å; L3465-W3534 HydrophobicContact CD1-CD2 4.49Å; L3465-W3534 HydrophobicContact CD1-CE3 4.26Å; L3465-W3534 HydrophobicContact CD1-CH2 3.48Å; L3465-W3534 HydrophobicContact CD1-CZ2 3.7Å; L3465-W3534 HydrophobicContact CD1-CZ3 3.92Å; L3465-W3534 HydrophobicContact CD2-CE3 4.13Å; L3465-W3534 HydrophobicContact CD2-CH2 3.79Å; L3465-W3534 HydrophobicContact CD2-CZ2 4.07Å; L3465-W3534 HydrophobicContact CD2-CZ3 3.81Å; L3465-W3534 HydrophobicContact CG-CH2 3.96Å; L3465-W3534 VanDerWaalsContact CG-CH2 3.42Å; L3465-W3534 HydrophobicContact CG-CZ2 4.25Å; L3465-W3534 HydrophobicContact CG-CZ3 4.05Å; L3465-L3538 HydrophobicContact CD2-CD2 4.39Å |
| 3466 | S | 48.3 | Very low | 52.2 | Low | 42.8 Ų | 42.8 | 69.5 Ų | 69.5 | 30% | 0.299 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.1 | -25 | 174.2 | 75.4 | 0 | 0 | 0 | 0 | 112.7 | L3462 D3463 F3464 I3468 V3469 N3471 | L3462-S3466 PolarHBondContact O-N 3.27Å; D3463-S3466 WeakPolarHBondContact O-CB 3.25Å; D3463-S3466 PolarHBondContact O-N 3.06Å; D3463-S3466 VanDerWaalsContact O-N 3.14Å; D3463-S3466 PolarHBondContact O-OG 3.39Å; F3464-S3466 VanDerWaalsContact C-N 3.28Å; F3464-S3466 PolarHBondContact O-N 3.18Å; S3466-I3468 VanDerWaalsContact C-N 3.34Å; S3466-I3468 PolarHBondContact O-N 3.37Å; S3466-V3469 PolarHBondContact O-N 2.9Å; S3466-V3469 VanDerWaalsContact O-O 3.06Å; S3466-N3471 VanDerWaalsContact C-ND2 3.33Å; S3466-N3471 WeakPolarHBondContact CA-ND2 3.31Å; S3466-N3471 VanDerWaalsContact CB-ND2 3.32Å; S3466-N3471 WeakPolarHBondContact CB-ND2 3.31Å; S3466-N3471 VanDerWaalsContact O-CG 3.27Å; S3466-N3471 PolarHBondContact O-ND2 3.25Å |
| 3467 | D | 50.7 | Low | 50.8 | Low | 127.2 Ų | 127.2 | 73.9 Ų | 73.9 | 68% | 0.68 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -83.2 | -22.9 | 178.1 | -67.1 | -26.3 | 0 | 0 | 0 | 113.3 | F3464 L3465 V3469 | F3464-D3467 HydrophobicContact CD2-CB 4.41Å; F3464-D3467 WeakPolarHBondContact O-CB 3.45Å; F3464-D3467 PolarHBondContact O-N 3.1Å; F3464-D3467 VanDerWaalsContact O-N 3.09Å; L3465-D3467 VanDerWaalsContact C-N 3.26Å; L3465-D3467 PolarHBondContact O-N 3.01Å; D3467-V3469 PolarHBondContact O-N 3.09Å |
| 3468 | I | 53.8 | Low | 49.6 | Very low | 26.8 Ų | 26.8 | 76.5 Ų | 76.5 | 14% | 0.137 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -76.6 | -24.1 | 177.3 | -67.1 | 174.6 | 0 | 0 | 0 | 111.7 | V3415 F3464 L3465 S3466 D3470 W3534 R3537 L3538 Y3541 | V3415-I3468 HydrophobicContact CG1-CD1 4.13Å; V3415-I3468 HydrophobicContact CG2-CD1 3.8Å; F3464-I3468 HydrophobicContact CD1-CD1 4.04Å; F3464-I3468 HydrophobicContact CD1-CG1 4.37Å; F3464-I3468 HydrophobicContact CD2-CG1 4.47Å; F3464-I3468 HydrophobicContact CE1-CD1 3.58Å; F3464-I3468 HydrophobicContact CE1-CG1 4.1Å; F3464-I3468 HydrophobicContact CE2-CD1 3.99Å; F3464-I3468 HydrophobicContact CE2-CG1 3.72Å; F3464-I3468 HydrophobicContact CG-CD1 4.49Å; F3464-I3468 HydrophobicContact CZ-CD1 3.65Å; F3464-I3468 HydrophobicContact CZ-CG1 3.27Å; F3464-I3468 PolarHBondContact O-N 3.02Å; L3465-I3468 HydrophobicContact CD2-CD1 4.02Å; L3465-I3468 VanDerWaalsContact CD2-CD1 3.44Å; L3465-I3468 HydrophobicContact CD2-CG1 4.29Å; L3465-I3468 PolarHBondContact O-N 3.25Å; L3465-I3468 VanDerWaalsContact O-N 3.15Å; S3466-I3468 VanDerWaalsContact C-N 3.34Å; S3466-I3468 PolarHBondContact O-N 3.37Å; I3468-D3470 PolarHBondContact O-N 2.73Å; I3468-W3534 HydrophobicContact CD1-CZ3 4.01Å; I3468-R3537 HydrophobicContact CG2-CB 4.28Å; I3468-L3538 HydrophobicContact CD1-CD2 4.32Å; I3468-Y3541 HydrophobicContact CB-CD2 4.38Å; I3468-Y3541 HydrophobicContact CD1-CD1 4.28Å; I3468-Y3541 HydrophobicContact CD1-CD2 4.34Å; I3468-Y3541 HydrophobicContact CD1-CE1 4.31Å; I3468-Y3541 HydrophobicContact CD1-CE2 4.34Å; I3468-Y3541 HydrophobicContact CD1-CG 4.3Å; I3468-Y3541 HydrophobicContact CG1-CD2 4.24Å; I3468-Y3541 HydrophobicContact CG1-CE2 4.17Å; I3468-Y3541 HydrophobicContact CG1-CG 4.42Å; I3468-Y3541 HydrophobicContact CG2-CD2 3.85Å; I3468-Y3541 HydrophobicContact CG2-CE2 4.17Å; I3468-Y3541 HydrophobicContact CG2-CG 3.87Å |
| 3469 | V | 48.6 | Very low | 48.6 | Very low | 32.2 Ų | 32.2 | 77.1 Ų | 77.1 | 20% | 0.195 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -101.7 | 120.1 | -176.1 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | L3465 S3466 D3467 N3471 | L3465-V3469 WeakPolarHBondContact O-CB 3.47Å; L3465-V3469 VanDerWaalsContact O-CG2 3.22Å; L3465-V3469 WeakPolarHBondContact O-CG2 3.13Å; L3465-V3469 PolarHBondContact O-N 2.88Å; S3466-V3469 PolarHBondContact O-N 2.9Å; S3466-V3469 VanDerWaalsContact O-O 3.06Å; D3467-V3469 PolarHBondContact O-N 3.09Å; V3469-N3471 WeakPolarHBondContact CB-OD1 3.47Å; V3469-N3471 WeakPolarHBondContact CG1-OD1 3.41Å; V3469-N3471 WeakPolarHBondContact O-CB 3.24Å; V3469-N3471 PolarHBondContact O-N 3.09Å |
| 3470 | D | 47 | Very low | 47.9 | Very low | 125 Ų | 125 | 80.3 Ų | 80.3 | 67% | 0.668 | 44% | 0.438 | S | S | * | . | trans | -55.9 | 102.9 | 163.4 | -77 | -49 | 0 | 0 | 0 | 108 | I3468 S3472 K3544 | I3468-D3470 PolarHBondContact O-N 2.73Å; D3470-S3472 PolarHBondContact O-N 3.4Å; D3470-S3472 PolarHBondContact O-OG 3.06Å; D3470-K3544 IonicContact OD2-NZ 3.48Å; D3470-K3544 PolarHBondContact OD2-NZ 3.21Å | ||
| 3471 | N | 41 | Very low | 48 | Very low | 114.6 Ų | 114.6 | 80.2 Ų | 80.2 | 61% | 0.613 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 36.2 | -165 | -89.4 | -36 | 0 | 0 | 0 | 115.9 | S3466 V3469 L3473 N3476 | S3466-N3471 VanDerWaalsContact C-ND2 3.33Å; S3466-N3471 WeakPolarHBondContact CA-ND2 3.31Å; S3466-N3471 VanDerWaalsContact CB-ND2 3.32Å; S3466-N3471 WeakPolarHBondContact CB-ND2 3.31Å; S3466-N3471 VanDerWaalsContact O-CG 3.27Å; S3466-N3471 PolarHBondContact O-ND2 3.25Å; V3469-N3471 WeakPolarHBondContact CB-OD1 3.47Å; V3469-N3471 WeakPolarHBondContact CG1-OD1 3.41Å; V3469-N3471 WeakPolarHBondContact O-CB 3.24Å; V3469-N3471 PolarHBondContact O-N 3.09Å; N3471-L3473 PolarHBondContact O-N 3.47Å; N3471-N3476 PolarHBondContact ND2-ND2 3Å; N3471-N3476 VanDerWaalsContact ND2-ND2 3.12Å; N3471-N3476 PolarHBondContact ND2-OD1 3.25Å; N3471-N3476 VanDerWaalsContact ND2-OD1 3.08Å |
| 3472 | S | 41.8 | Very low | 48.3 | Very low | 103.2 Ų | 103.2 | 81.2 Ų | 81.2 | 72% | 0.722 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -3.7 | 178.3 | 62.7 | 0 | 0 | 0 | 0 | 114.4 | D3470 | D3470-S3472 PolarHBondContact O-N 3.4Å; D3470-S3472 PolarHBondContact O-OG 3.06Å |
| 3473 | L | 43.2 | Very low | 48.8 | Very low | 104.8 Ų | 104.8 | 84.9 Ų | 84.9 | 55% | 0.549 | 46% | 0.455 | S | S | . | . | trans | -110.8 | 103.3 | -178.3 | -74.1 | 166.1 | 0 | 0 | 0 | 111.9 | N3471 E3475 | N3471-L3473 PolarHBondContact O-N 3.47Å; L3473-E3475 VanDerWaalsContact C-N 3.26Å; L3473-E3475 PolarHBondContact O-N 3.2Å | ||
| 3474 | E | 42.5 | Very low | 49.7 | Very low | 184.2 Ų | 184.2 | 78.9 Ų | 78.9 | 86% | 0.861 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -76 | 41.4 | 177.4 | -73.3 | 175.7 | 153.3 | 0 | 0 | 112.8 | N3476 V3477 | E3474-N3476 VanDerWaalsContact C-N 3.33Å; E3474-N3476 PolarHBondContact O-N 3.03Å; E3474-V3477 WeakPolarHBondContact O-CG2 3.39Å |
| 3475 | E | 43.6 | Very low | 50.6 | Low | 119.4 Ų | 119.4 | 77 Ų | 77 | 56% | 0.558 | 41% | 0.414 | S | S | * | . | trans | -89.4 | 21.3 | -176.7 | -77.6 | -175.2 | 163.5 | 0 | 0 | 114.3 | L3473 V3477 F3478 F3533 R3537 | L3473-E3475 VanDerWaalsContact C-N 3.26Å; L3473-E3475 PolarHBondContact O-N 3.2Å; E3475-V3477 HydrophobicContact CB-CG2 4.19Å; E3475-V3477 WeakPolarHBondContact O-CG2 3.32Å; E3475-V3477 PolarHBondContact O-N 3.12Å; E3475-V3477 VanDerWaalsContact O-N 3.08Å; E3475-F3478 WeakPolarHBondContact O-CB 3.36Å; E3475-F3478 PolarHBondContact O-N 3.08Å; E3475-F3478 VanDerWaalsContact O-N 3.11Å; E3475-F3533 HydrophobicContact CB-CE2 4.34Å; E3475-R3537 IonicContact OE2-NH2 3.04Å; E3475-R3537 PolarHBondContact OE2-NH2 3.36Å | ||
| 3476 | N | 44 | Very low | 51.3 | Low | 83 Ų | 83 | 76.7 Ų | 76.7 | 44% | 0.444 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -62.2 | 5.3 | 172.7 | -75.7 | -18.2 | 0 | 0 | 0 | 114 | N3471 E3474 F3478 N3480 | N3471-N3476 PolarHBondContact ND2-ND2 3Å; N3471-N3476 VanDerWaalsContact ND2-ND2 3.12Å; N3471-N3476 PolarHBondContact ND2-OD1 3.25Å; N3471-N3476 VanDerWaalsContact ND2-OD1 3.08Å; E3474-N3476 VanDerWaalsContact C-N 3.33Å; E3474-N3476 PolarHBondContact O-N 3.03Å; N3476-F3478 VanDerWaalsContact C-N 3.28Å; N3476-F3478 PolarHBondContact O-N 3.19Å; N3476-F3478 VanDerWaalsContact O-N 3.16Å; N3476-N3480 PolarHBondContact O-ND2 2.68Å |
| 3477 | V | 47.7 | Very low | 52.4 | Low | 104.4 Ų | 104.4 | 75.9 Ų | 75.9 | 63% | 0.633 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -21.3 | 173.5 | -175.6 | 0 | 0 | 0 | 0 | 112 | E3474 E3475 I3479 N3480 S3481 | E3474-V3477 WeakPolarHBondContact O-CG2 3.39Å; E3475-V3477 HydrophobicContact CB-CG2 4.19Å; E3475-V3477 WeakPolarHBondContact O-CG2 3.32Å; E3475-V3477 PolarHBondContact O-N 3.12Å; E3475-V3477 VanDerWaalsContact O-N 3.08Å; V3477-I3479 VanDerWaalsContact C-N 3.32Å; V3477-I3479 PolarHBondContact O-N 3.15Å; V3477-I3479 VanDerWaalsContact O-N 3.13Å; V3477-N3480 CarbonylContact O-C 3.57Å; V3477-N3480 WeakPolarHBondContact O-CA 3.46Å; V3477-N3480 PolarHBondContact O-N 2.89Å; V3477-N3480 VanDerWaalsContact O-N 3.13Å; V3477-S3481 PolarHBondContact O-N 2.86Å |
| 3478 | F | 48.1 | Very low | 53.6 | Low | 68.2 Ų | 68.2 | 70.1 Ų | 70.1 | 30% | 0.299 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -35.3 | -165.1 | -158.9 | -98.2 | 0 | 0 | 0 | 115.5 | E3475 N3476 N3480 S3481 S3484 R3529 L3530 F3533 W3534 | E3475-F3478 WeakPolarHBondContact O-CB 3.36Å; E3475-F3478 PolarHBondContact O-N 3.08Å; E3475-F3478 VanDerWaalsContact O-N 3.11Å; N3476-F3478 VanDerWaalsContact C-N 3.28Å; N3476-F3478 PolarHBondContact O-N 3.19Å; N3476-F3478 VanDerWaalsContact O-N 3.16Å; F3478-N3480 PolarHBondContact O-N 3.34Å; F3478-S3481 PolarHBondContact O-N 3.39Å; F3478-S3484 PolarHBondContact O-OG 3.34Å; F3478-R3529 HydrophobicContact CE1-CB 4.11Å; F3478-R3529 HydrophobicContact CE1-CG 4.09Å; F3478-R3529 WeakPolarHBondContact CE1-O 3.48Å; F3478-R3529 HydrophobicContact CE2-CG 3.9Å; F3478-R3529 HydrophobicContact CZ-CB 4.36Å; F3478-R3529 HydrophobicContact CZ-CG 3.77Å; F3478-R3529 VanDerWaalsContact CZ-O 3.28Å; F3478-R3529 WeakPolarHBondContact CZ-O 3.4Å; F3478-R3529 PolarHBondContact O-NH2 3.1Å; F3478-L3530 HydrophobicContact CE1-CD2 4.15Å; F3478-L3530 HydrophobicContact CZ-CD2 4.35Å; F3478-F3533 HydrophobicContact CB-CD1 4.39Å; F3478-F3533 HydrophobicContact CB-CD2 4.12Å; F3478-F3533 HydrophobicContact CB-CE1 4.21Å; F3478-F3533 HydrophobicContact CB-CE2 3.7Å; F3478-F3533 HydrophobicContact CB-CG 4.44Å; F3478-F3533 HydrophobicContact CB-CZ 3.81Å; F3478-F3533 HydrophobicContact CD1-CB 4.04Å; F3478-F3533 AromaticContact CD1-CD1 3.4Å; F3478-F3533 HydrophobicContact CD1-CD1 3.63Å; F3478-F3533 AromaticContact CD1-CD2 3.71Å; F3478-F3533 HydrophobicContact CD1-CD2 3.82Å; F3478-F3533 AromaticContact CD1-CE1 3.67Å; F3478-F3533 HydrophobicContact CD1-CE1 3.67Å; F3478-F3533 AromaticContact CD1-CE2 3.87Å; F3478-F3533 HydrophobicContact CD1-CE2 4.14Å; F3478-F3533 AromaticContact CD1-CG 3.55Å; F3478-F3533 HydrophobicContact CD1-CG 3.55Å; F3478-F3533 VanDerWaalsContact CD1-CG 3.41Å; F3478-F3533 AromaticContact CD1-CZ 3.95Å; F3478-F3533 HydrophobicContact CD1-CZ 4Å; F3478-F3533 HydrophobicContact CD2-CB 3.99Å; F3478-F3533 AromaticContact CD2-CD1 4Å; F3478-F3533 HydrophobicContact CD2-CD1 4Å; F3478-F3533 AromaticContact CD2-CD2 3.28Å; F3478-F3533 HydrophobicContact CD2-CD2 3.28Å; F3478-F3533 HydrophobicContact CD2-CE1 4.38Å; F3478-F3533 AromaticContact CD2-CE2 3.68Å; F3478-F3533 HydrophobicContact CD2-CE2 3.68Å; F3478-F3533 AromaticContact CD2-CG 3.61Å; F3478-F3533 HydrophobicContact CD2-CG 3.78Å; F3478-F3533 HydrophobicContact CD2-CZ 4.22Å; F3478-F3533 HydrophobicContact CE1-CB 3.45Å; F3478-F3533 AromaticContact CE1-CD1 3.53Å; F3478-F3533 HydrophobicContact CE1-CD1 3.8Å; F3478-F3533 VanDerWaalsContact CE1-CD1 3.46Å; F3478-F3533 AromaticContact CE1-CD2 3.89Å; F3478-F3533 HydrophobicContact CE1-CD2 4.04Å; F3478-F3533 HydrophobicContact CE1-CE1 4.26Å; F3478-F3533 AromaticContact CE1-CG 3.5Å; F3478-F3533 HydrophobicContact CE1-CG 3.5Å; F3478-F3533 HydrophobicContact CE2-CB 3.64Å; F3478-F3533 HydrophobicContact CE2-CD1 4.14Å; F3478-F3533 AromaticContact CE2-CD2 3.54Å; F3478-F3533 HydrophobicContact CE2-CD2 3.54Å; F3478-F3533 VanDerWaalsContact CE2-CD2 3.45Å; F3478-F3533 HydrophobicContact CE2-CE2 4.29Å; F3478-F3533 AromaticContact CE2-CG 3.57Å; F3478-F3533 HydrophobicContact CE2-CG 3.73Å; F3478-F3533 HydrophobicContact CG-CB 4.33Å; F3478-F3533 AromaticContact CG-CD1 3.61Å; F3478-F3533 HydrophobicContact CG-CD1 4.04Å; F3478-F3533 AromaticContact CG-CD2 3.45Å; F3478-F3533 HydrophobicContact CG-CD2 3.45Å; F3478-F3533 VanDerWaalsContact CG-CD2 3.47Å; F3478-F3533 AromaticContact CG-CE1 3.69Å; F3478-F3533 HydrophobicContact CG-CE1 4.13Å; F3478-F3533 AromaticContact CG-CE2 3.56Å; F3478-F3533 HydrophobicContact CG-CE2 3.56Å; F3478-F3533 VanDerWaalsContact CG-CE2 3.47Å; F3478-F3533 AromaticContact CG-CG 3.7Å; F3478-F3533 HydrophobicContact CG-CG 3.7Å; F3478-F3533 VanDerWaalsContact CG-CG 3.49Å; F3478-F3533 AromaticContact CG-CZ 3.79Å; F3478-F3533 HydrophobicContact CG-CZ 3.91Å; F3478-F3533 HydrophobicContact CZ-CB 3.24Å; F3478-F3533 VanDerWaalsContact CZ-CB 3.45Å; F3478-F3533 AromaticContact CZ-CD1 3.91Å; F3478-F3533 HydrophobicContact CZ-CD1 4.09Å; F3478-F3533 AromaticContact CZ-CD2 3.81Å; F3478-F3533 HydrophobicContact CZ-CD2 3.92Å; F3478-F3533 AromaticContact CZ-CG 3.61Å; F3478-F3533 HydrophobicContact CZ-CG 3.61Å; F3478-F3533 VanDerWaalsContact CZ-CG 3.47Å; F3478-W3534 AromaticContact CE1-NE1 3.65Å |
| 3479 | I | 51 | Low | 54.4 | Low | 26 Ų | 26 | 69 Ų | 69 | 13% | 0.133 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -10 | 178.6 | -59 | 175.3 | 0 | 0 | 0 | 111.9 | L3462 L3465 V3477 S3481 S3484 L3530 F3533 W3534 | L3462-I3479 HydrophobicContact CD1-CB 3.9Å; L3462-I3479 HydrophobicContact CD1-CD1 3.65Å; L3462-I3479 HydrophobicContact CD1-CG1 4.13Å; L3462-I3479 HydrophobicContact CD1-CG2 3.89Å; L3462-I3479 HydrophobicContact CD2-CB 4.1Å; L3462-I3479 HydrophobicContact CD2-CD1 3.49Å; L3462-I3479 VanDerWaalsContact CD2-CD1 3.48Å; L3462-I3479 HydrophobicContact CD2-CG1 4.17Å; L3462-I3479 HydrophobicContact CD2-CG2 4.11Å; L3462-I3479 HydrophobicContact CG-CD1 4.11Å; L3462-I3479 HydrophobicContact CG-CG2 4.42Å; L3465-I3479 HydrophobicContact CD1-CD1 4.41Å; V3477-I3479 VanDerWaalsContact C-N 3.32Å; V3477-I3479 PolarHBondContact O-N 3.15Å; V3477-I3479 VanDerWaalsContact O-N 3.13Å; I3479-S3481 VanDerWaalsContact C-N 3.33Å; I3479-S3481 PolarHBondContact O-N 3.43Å; I3479-S3484 PolarHBondContact O-OG 2.97Å; I3479-L3530 HydrophobicContact CD1-CD2 3.94Å; I3479-F3533 HydrophobicContact CD1-CD1 4.12Å; I3479-F3533 HydrophobicContact CD1-CE1 4.05Å; I3479-F3533 HydrophobicContact CD1-CZ 4.39Å; I3479-W3534 HydrophobicContact CD1-CZ2 3.83Å |
| 3480 | N | 48.9 | Very low | 55.3 | Low | 108.6 Ų | 108.6 | 68.8 Ų | 68.8 | 58% | 0.581 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 5.9 | -178 | -74 | -29.7 | 0 | 0 | 0 | 113.9 | L3462 N3476 V3477 F3478 P3482 | L3462-N3480 WeakPolarHBondContact CD1-OD1 3.45Å; N3476-N3480 PolarHBondContact O-ND2 2.68Å; V3477-N3480 CarbonylContact O-C 3.57Å; V3477-N3480 WeakPolarHBondContact O-CA 3.46Å; V3477-N3480 PolarHBondContact O-N 2.89Å; V3477-N3480 VanDerWaalsContact O-N 3.13Å; F3478-N3480 PolarHBondContact O-N 3.34Å; N3480-P3482 VanDerWaalsContact O-CD 3.23Å; N3480-P3482 WeakPolarHBondContact O-CD 3.26Å |
| 3481 | S | 57.3 | Low | 56.5 | Low | 39 Ų | 39 | 62.9 Ų | 62.9 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | trans | -69.8 | 121.2 | 166 | 69.8 | 0 | 0 | 0 | 0 | 108.8 | V3477 F3478 I3479 E3483 S3484 W3485 | V3477-S3481 PolarHBondContact O-N 2.86Å; F3478-S3481 PolarHBondContact O-N 3.39Å; I3479-S3481 VanDerWaalsContact C-N 3.33Å; I3479-S3481 PolarHBondContact O-N 3.43Å; S3481-E3483 VanDerWaalsContact C-N 3.25Å; S3481-E3483 PolarHBondContact O-N 3.18Å; S3481-E3483 VanDerWaalsContact O-N 3.14Å; S3481-S3484 PolarHBondContact O-N 3.24Å; S3481-S3484 VanDerWaalsContact O-N 3.14Å; S3481-S3484 PolarHBondContact O-OG 3.21Å; S3481-S3484 VanDerWaalsContact OG-CB 3.27Å; S3481-S3484 WeakPolarHBondContact OG-CB 3.37Å; S3481-S3484 PolarHBondContact OG-N 3.1Å; S3481-S3484 VanDerWaalsContact OG-N 3.15Å; S3481-S3484 PolarHBondContact OG-OG 3.03Å; S3481-W3485 PolarHBondContact O-N 3.32Å; S3481-W3485 VanDerWaalsContact O-N 3.12Å | ||
| 3482 | P | 57.7 | Low | 58.3 | Low | 46 Ų | 46 | 57.8 Ų | 57.8 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.1 | -32.5 | -176.6 | 20.3 | -31.1 | 0 | 0 | 0 | 112.1 | N3480 S3484 W3485 T3486 | N3480-P3482 VanDerWaalsContact O-CD 3.23Å; N3480-P3482 WeakPolarHBondContact O-CD 3.26Å; P3482-S3484 VanDerWaalsContact C-N 3.34Å; P3482-S3484 PolarHBondContact O-N 3.21Å; P3482-W3485 PolarHBondContact O-N 3.27Å; P3482-T3486 VanDerWaalsContact O-CB 3.3Å; P3482-T3486 WeakPolarHBondContact O-CB 3.15Å; P3482-T3486 PolarHBondContact O-N 3.22Å; P3482-T3486 VanDerWaalsContact O-N 3.07Å; P3482-T3486 PolarHBondContact O-OG1 3.33Å; P3482-T3486 VanDerWaalsContact O-OG1 3.08Å |
| 3483 | E | 60.2 | Low | 59.6 | Low | 124.8 Ų | 124.8 | 54.2 Ų | 54.2 | 58% | 0.583 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.5 | -45.3 | 176.3 | -65.9 | -178.7 | 166.7 | 0 | 0 | 113.2 | S3481 W3485 T3486 N3487 | S3481-E3483 VanDerWaalsContact C-N 3.25Å; S3481-E3483 PolarHBondContact O-N 3.18Å; S3481-E3483 VanDerWaalsContact O-N 3.14Å; E3483-W3485 VanDerWaalsContact C-N 3.31Å; E3483-W3485 PolarHBondContact O-N 3.12Å; E3483-T3486 PolarHBondContact O-N 3.17Å; E3483-N3487 WeakPolarHBondContact O-CB 3.36Å; E3483-N3487 PolarHBondContact O-N 3.3Å; E3483-N3487 PolarHBondContact O-ND2 3.32Å; E3483-N3487 PolarHBondContact O-OD1 2.68Å |
| 3484 | S | 67.1 | Low | 60.9 | Low | 6.4 Ų | 6.4 | 50.9 Ų | 50.9 | 5% | 0.045 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.9 | -37.2 | -179.7 | 60.8 | 0 | 0 | 0 | 0 | 111.9 | F3478 I3479 S3481 P3482 T3486 N3487 L3488 E3526 | F3478-S3484 PolarHBondContact O-OG 3.34Å; I3479-S3484 PolarHBondContact O-OG 2.97Å; S3481-S3484 PolarHBondContact O-N 3.24Å; S3481-S3484 VanDerWaalsContact O-N 3.14Å; S3481-S3484 PolarHBondContact O-OG 3.21Å; S3481-S3484 VanDerWaalsContact OG-CB 3.27Å; S3481-S3484 WeakPolarHBondContact OG-CB 3.37Å; S3481-S3484 PolarHBondContact OG-N 3.1Å; S3481-S3484 VanDerWaalsContact OG-N 3.15Å; S3481-S3484 PolarHBondContact OG-OG 3.03Å; P3482-S3484 VanDerWaalsContact C-N 3.34Å; P3482-S3484 PolarHBondContact O-N 3.21Å; S3484-T3486 VanDerWaalsContact C-N 3.34Å; S3484-T3486 PolarHBondContact O-N 3.44Å; S3484-N3487 PolarHBondContact O-N 3.2Å; S3484-L3488 WeakPolarHBondContact O-CB 3.37Å; S3484-L3488 VanDerWaalsContact O-CG 3.27Å; S3484-L3488 WeakPolarHBondContact O-CG 3.34Å; S3484-L3488 PolarHBondContact O-N 2.98Å; S3484-E3526 WeakPolarHBondContact CA-OE1 3.48Å; S3484-E3526 WeakPolarHBondContact CB-OE1 3.35Å |
| 3485 | W | 69.1 | Low | 62.6 | Low | 24 Ų | 24 | 42.2 Ų | 42.2 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.2 | -45.4 | 177.3 | -176.1 | 93.5 | 0 | 0 | 0 | 111.2 | I3232 R3235 F3236 I3241 L3458 S3481 P3482 E3483 N3487 L3488 M3489 | I3232-W3485 HydrophobicContact CG2-CH2 4.44Å; R3235-W3485 HydrophobicContact CB-CH2 4.24Å; R3235-W3485 HydrophobicContact CB-CZ2 3.79Å; R3235-W3485 HydrophobicContact CG-CZ2 4.44Å; F3236-W3485 HydrophobicContact CB-CH2 4.33Å; F3236-W3485 HydrophobicContact CD1-CH2 4.47Å; F3236-W3485 HydrophobicContact CD1-CZ3 4.39Å; F3236-W3485 AromaticContact CD2-CH2 3.76Å; F3236-W3485 HydrophobicContact CD2-CH2 4.03Å; F3236-W3485 AromaticContact CD2-CZ3 3.83Å; F3236-W3485 HydrophobicContact CD2-CZ3 4.02Å; F3236-W3485 HydrophobicContact CE1-CH2 4.44Å; F3236-W3485 AromaticContact CE1-CZ3 3.94Å; F3236-W3485 HydrophobicContact CE1-CZ3 4.03Å; F3236-W3485 AromaticContact CE2-CH2 3.74Å; F3236-W3485 HydrophobicContact CE2-CH2 3.85Å; F3236-W3485 AromaticContact CE2-CZ3 3.78Å; F3236-W3485 HydrophobicContact CE2-CZ3 3.95Å; F3236-W3485 HydrophobicContact CG-CH2 4.13Å; F3236-W3485 HydrophobicContact CG-CZ3 4.44Å; F3236-W3485 HydrophobicContact CZ-CH2 4.15Å; F3236-W3485 AromaticContact CZ-CZ3 3.65Å; F3236-W3485 HydrophobicContact CZ-CZ3 3.82Å; I3241-W3485 HydrophobicContact CD1-CB 4.39Å; I3241-W3485 HydrophobicContact CD1-CD2 3.54Å; I3241-W3485 VanDerWaalsContact CD1-CD2 3.48Å; I3241-W3485 HydrophobicContact CD1-CE3 3.34Å; I3241-W3485 VanDerWaalsContact CD1-CE3 3.41Å; I3241-W3485 HydrophobicContact CD1-CG 4.1Å; I3241-W3485 HydrophobicContact CD1-CH2 4.2Å; I3241-W3485 HydrophobicContact CD1-CZ2 4.34Å; I3241-W3485 HydrophobicContact CD1-CZ3 3.7Å; L3458-W3485 HydrophobicContact CD2-CD2 4.46Å; L3458-W3485 HydrophobicContact CD2-CG 4.19Å; S3481-W3485 PolarHBondContact O-N 3.32Å; S3481-W3485 VanDerWaalsContact O-N 3.12Å; P3482-W3485 PolarHBondContact O-N 3.27Å; E3483-W3485 VanDerWaalsContact C-N 3.31Å; E3483-W3485 PolarHBondContact O-N 3.12Å; W3485-N3487 PolarHBondContact O-N 3.06Å; W3485-L3488 PolarHBondContact O-N 3.14Å; W3485-M3489 HydrophobicContact CD2-CE 4.25Å; W3485-M3489 HydrophobicContact CD2-CG 4.23Å; W3485-M3489 VanDerWaalsContact CE2-CE 3.43Å; W3485-M3489 HydrophobicContact CE3-CG 4.06Å; W3485-M3489 HydrophobicContact CH2-CE 4.05Å; W3485-M3489 HydrophobicContact CH2-CG 3.84Å; W3485-M3489 HydrophobicContact CH2-SD 4.28Å; W3485-M3489 HydrophobicContact CZ2-CE 3.65Å; W3485-M3489 VanDerWaalsContact CZ2-CE 3.46Å; W3485-M3489 HydrophobicContact CZ2-CG 4Å; W3485-M3489 HydrophobicContact CZ2-SD 4.25Å; W3485-M3489 HydrophobicContact CZ3-CE 4.48Å; W3485-M3489 HydrophobicContact CZ3-CG 3.87Å; W3485-M3489 WeakPolarHBondContact O-CG 3.34Å; W3485-M3489 PolarHBondContact O-N 3.04Å |
| 3486 | T | 66 | Low | 63.9 | Low | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.5 | -38.9 | 178.6 | -58.8 | 0 | 0 | 0 | 0 | 112 | I3249 D3250 L3253 P3482 E3483 S3484 L3488 M3489 L3490 | I3249-T3486 HydrophobicContact CB-CG2 4.39Å; I3249-T3486 HydrophobicContact CG2-CG2 3.75Å; D3250-T3486 WeakPolarHBondContact OD1-CB 3.33Å; D3250-T3486 WeakPolarHBondContact OD1-CG2 3.4Å; D3250-T3486 PolarHBondContact OD1-OG1 3.31Å; L3253-T3486 HydrophobicContact CB-CG2 4.22Å; L3253-T3486 HydrophobicContact CD1-CG2 3.6Å; L3253-T3486 HydrophobicContact CD2-CG2 4.15Å; P3482-T3486 VanDerWaalsContact O-CB 3.3Å; P3482-T3486 WeakPolarHBondContact O-CB 3.15Å; P3482-T3486 PolarHBondContact O-N 3.22Å; P3482-T3486 VanDerWaalsContact O-N 3.07Å; P3482-T3486 PolarHBondContact O-OG1 3.33Å; P3482-T3486 VanDerWaalsContact O-OG1 3.08Å; E3483-T3486 PolarHBondContact O-N 3.17Å; S3484-T3486 VanDerWaalsContact C-N 3.34Å; S3484-T3486 PolarHBondContact O-N 3.44Å; T3486-L3488 VanDerWaalsContact C-N 3.32Å; T3486-L3488 PolarHBondContact O-N 2.98Å; T3486-M3489 WeakPolarHBondContact O-CB 3.3Å; T3486-M3489 PolarHBondContact O-N 3.19Å; T3486-L3490 HydrophobicContact CG2-CD1 4.23Å; T3486-L3490 WeakPolarHBondContact O-CB 3.44Å; T3486-L3490 WeakPolarHBondContact O-CD1 3.42Å; T3486-L3490 WeakPolarHBondContact O-CG 3.34Å; T3486-L3490 PolarHBondContact O-N 3.09Å |
| 3487 | N | 71.6 | Confident | 65.1 | Low | 24.4 Ų | 24.4 | 33.9 Ų | 33.9 | 13% | 0.13 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.5 | -44 | 173.5 | -71 | -18.1 | 0 | 0 | 0 | 111.8 | E3483 S3484 W3485 M3489 L3490 L3491 L3522 E3526 | E3483-N3487 WeakPolarHBondContact O-CB 3.36Å; E3483-N3487 PolarHBondContact O-N 3.3Å; E3483-N3487 PolarHBondContact O-ND2 3.32Å; E3483-N3487 PolarHBondContact O-OD1 2.68Å; S3484-N3487 PolarHBondContact O-N 3.2Å; W3485-N3487 PolarHBondContact O-N 3.06Å; N3487-M3489 VanDerWaalsContact C-N 3.34Å; N3487-M3489 PolarHBondContact O-N 3.5Å; N3487-L3490 WeakPolarHBondContact O-CB 3.26Å; N3487-L3490 PolarHBondContact O-N 3.22Å; N3487-L3491 WeakPolarHBondContact O-CG 3.34Å; N3487-L3491 PolarHBondContact O-N 2.99Å; N3487-L3522 HydrophobicContact CB-CD1 4.22Å; N3487-L3522 HydrophobicContact CB-CD2 4.21Å; N3487-L3522 HydrophobicContact CB-CG 4.34Å; N3487-E3526 HydrophobicContact CB-CG 3.89Å; N3487-E3526 PolarHBondContact ND2-OE1 3.22Å |
| 3488 | L | 74.6 | Confident | 66.2 | Low | 6.6 Ų | 6.6 | 30.1 Ų | 30.1 | 4% | 0.035 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.7 | -37.2 | 176.4 | -72.2 | 172.5 | 0 | 0 | 0 | 112 | I3454 L3458 S3484 W3485 T3486 L3490 L3491 Q3492 E3526 L3530 | I3454-L3488 HydrophobicContact CG2-CB 4.15Å; I3454-L3488 HydrophobicContact CG2-CD2 4.4Å; I3454-L3488 WeakPolarHBondContact CG2-O 3.36Å; L3458-L3488 HydrophobicContact CD1-CB 4.07Å; L3458-L3488 HydrophobicContact CD2-CB 3.89Å; L3458-L3488 HydrophobicContact CD2-CD1 4.28Å; L3458-L3488 HydrophobicContact CG-CB 4.31Å; S3484-L3488 WeakPolarHBondContact O-CB 3.37Å; S3484-L3488 VanDerWaalsContact O-CG 3.27Å; S3484-L3488 WeakPolarHBondContact O-CG 3.34Å; S3484-L3488 PolarHBondContact O-N 2.98Å; W3485-L3488 PolarHBondContact O-N 3.14Å; T3486-L3488 VanDerWaalsContact C-N 3.32Å; T3486-L3488 PolarHBondContact O-N 2.98Å; L3488-L3490 VanDerWaalsContact C-N 3.34Å; L3488-L3490 PolarHBondContact O-N 3.16Å; L3488-L3491 HydrophobicContact CD2-CD1 4.46Å; L3488-L3491 PolarHBondContact O-N 3.29Å; L3488-Q3492 WeakPolarHBondContact O-CB 3.18Å; L3488-Q3492 PolarHBondContact O-N 3.23Å; L3488-E3526 HydrophobicContact CD2-CB 4Å; L3488-E3526 HydrophobicContact CG-CB 4.42Å; L3488-L3530 HydrophobicContact CD1-CD1 4.22Å; L3488-L3530 HydrophobicContact CD1-CD2 4.49Å; L3488-L3530 HydrophobicContact CD2-CD1 3.68Å |
| 3489 | M | 71.2 | Confident | 67.4 | Low | 3.2 Ų | 3.2 | 26.9 Ų | 26.9 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.2 | -42.7 | 172.4 | -78 | -70.2 | 141 | 0 | 0 | 112.4 | I3232 R3235 L3253 L3458 W3485 T3486 N3487 L3491 Q3492 L3493 | I3232-M3489 HydrophobicContact CD1-CE 4.36Å; I3232-M3489 HydrophobicContact CG1-CE 3.88Å; I3232-M3489 HydrophobicContact CG1-SD 4.25Å; I3232-M3489 HydrophobicContact CG2-SD 4.03Å; R3235-M3489 HydrophobicContact CB-CE 4.04Å; R3235-M3489 HydrophobicContact CG-CE 4.35Å; R3235-M3489 VanDerWaalsContact NH1-CE 3.26Å; R3235-M3489 PolarHBondContact NH1-SD 3.37Å; R3235-M3489 VanDerWaalsContact NH1-SD 3.4Å; L3253-M3489 HydrophobicContact CD1-CB 4.4Å; L3253-M3489 HydrophobicContact CD2-CB 4.09Å; L3458-M3489 HydrophobicContact CB-CE 3.62Å; L3458-M3489 HydrophobicContact CD1-CE 3.42Å; L3458-M3489 HydrophobicContact CD1-CG 4.03Å; L3458-M3489 HydrophobicContact CD1-SD 3.87Å; L3458-M3489 HydrophobicContact CD2-CE 3.84Å; L3458-M3489 VanDerWaalsContact CD2-CE 3.43Å; L3458-M3489 HydrophobicContact CG-CE 3.76Å; W3485-M3489 HydrophobicContact CD2-CE 4.25Å; W3485-M3489 HydrophobicContact CD2-CG 4.23Å; W3485-M3489 VanDerWaalsContact CE2-CE 3.43Å; W3485-M3489 HydrophobicContact CE3-CG 4.06Å; W3485-M3489 HydrophobicContact CH2-CE 4.05Å; W3485-M3489 HydrophobicContact CH2-CG 3.84Å; W3485-M3489 HydrophobicContact CH2-SD 4.28Å; W3485-M3489 HydrophobicContact CZ2-CE 3.65Å; W3485-M3489 VanDerWaalsContact CZ2-CE 3.46Å; W3485-M3489 HydrophobicContact CZ2-CG 4Å; W3485-M3489 HydrophobicContact CZ2-SD 4.25Å; W3485-M3489 HydrophobicContact CZ3-CE 4.48Å; W3485-M3489 HydrophobicContact CZ3-CG 3.87Å; W3485-M3489 WeakPolarHBondContact O-CG 3.34Å; W3485-M3489 PolarHBondContact O-N 3.04Å; T3486-M3489 WeakPolarHBondContact O-CB 3.3Å; T3486-M3489 PolarHBondContact O-N 3.19Å; N3487-M3489 VanDerWaalsContact C-N 3.34Å; N3487-M3489 PolarHBondContact O-N 3.5Å; M3489-L3491 VanDerWaalsContact C-N 3.33Å; M3489-L3491 PolarHBondContact O-N 3.09Å; M3489-Q3492 HydrophobicContact CE-CB 4.22Å; M3489-Q3492 VanDerWaalsContact CE-OE1 3.31Å; M3489-Q3492 PolarHBondContact O-N 3.06Å; M3489-L3493 WeakPolarHBondContact O-CB 3.42Å; M3489-L3493 WeakPolarHBondContact O-CG 3.28Å; M3489-L3493 PolarHBondContact O-N 3.08Å |
| 3490 | L | 67.1 | Low | 68.3 | Low | 29 Ų | 29 | 26.3 Ų | 26.3 | 15% | 0.152 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -41.7 | 175.2 | -75.6 | 167.6 | 0 | 0 | 0 | 111.8 | I3249 L3253 T3486 N3487 L3488 L3493 W3494 L3519 | I3249-L3490 HydrophobicContact CG2-CD1 4.01Å; L3253-L3490 HydrophobicContact CD1-CD1 4.37Å; L3253-L3490 HydrophobicContact CD1-CD2 3.48Å; L3253-L3490 HydrophobicContact CD1-CG 3.8Å; T3486-L3490 HydrophobicContact CG2-CD1 4.23Å; T3486-L3490 WeakPolarHBondContact O-CB 3.44Å; T3486-L3490 WeakPolarHBondContact O-CD1 3.42Å; T3486-L3490 WeakPolarHBondContact O-CG 3.34Å; T3486-L3490 PolarHBondContact O-N 3.09Å; N3487-L3490 WeakPolarHBondContact O-CB 3.26Å; N3487-L3490 PolarHBondContact O-N 3.22Å; L3488-L3490 VanDerWaalsContact C-N 3.34Å; L3488-L3490 PolarHBondContact O-N 3.16Å; L3490-L3493 WeakPolarHBondContact O-CB 3.48Å; L3490-L3493 PolarHBondContact O-N 3.19Å; L3490-W3494 WeakPolarHBondContact O-CB 3.35Å; L3490-W3494 PolarHBondContact O-N 3.17Å; L3490-L3519 HydrophobicContact CB-CD2 4.4Å |
| 3491 | L | 73.8 | Confident | 69 | Low | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.6 | -43.6 | 174.9 | -71.3 | 176.6 | 0 | 0 | 0 | 111.8 | I3454 N3487 L3488 M3489 L3493 W3494 Y3495 L3519 L3522 T3523 E3526 V3527 | I3454-L3491 HydrophobicContact CD1-CB 3.91Å; I3454-L3491 HydrophobicContact CD1-CD1 4.39Å; N3487-L3491 WeakPolarHBondContact O-CG 3.34Å; N3487-L3491 PolarHBondContact O-N 2.99Å; L3488-L3491 HydrophobicContact CD2-CD1 4.46Å; L3488-L3491 PolarHBondContact O-N 3.29Å; M3489-L3491 VanDerWaalsContact C-N 3.33Å; M3489-L3491 PolarHBondContact O-N 3.09Å; L3491-L3493 VanDerWaalsContact C-N 3.35Å; L3491-L3493 PolarHBondContact O-N 3.33Å; L3491-W3494 HydrophobicContact CD2-CE3 4.23Å; L3491-W3494 PolarHBondContact O-N 3.27Å; L3491-Y3495 HydrophobicContact CB-CD2 4.35Å; L3491-Y3495 HydrophobicContact CB-CE2 4.1Å; L3491-Y3495 HydrophobicContact CD2-CE2 4.36Å; L3491-Y3495 WeakPolarHBondContact O-CB 3.32Å; L3491-Y3495 WeakPolarHBondContact O-CD2 3.33Å; L3491-Y3495 PolarHBondContact O-N 3.24Å; L3491-L3519 HydrophobicContact CD2-CD2 4.26Å; L3491-L3522 HydrophobicContact CD1-CD2 3.52Å; L3491-L3522 HydrophobicContact CD2-CB 4.31Å; L3491-L3522 HydrophobicContact CD2-CD2 3.62Å; L3491-L3522 HydrophobicContact CG-CD2 3.34Å; L3491-T3523 VanDerWaalsContact CD2-OG1 3.26Å; L3491-T3523 WeakPolarHBondContact CD2-OG1 3.39Å; L3491-E3526 HydrophobicContact CD1-CB 4.19Å; L3491-E3526 HydrophobicContact CD1-CG 4.48Å; L3491-V3527 HydrophobicContact CD1-CG2 4.27Å |
| 3492 | Q | 77.6 | Confident | 68.9 | Low | 7 Ų | 7 | 24 Ų | 24 | 3% | 0.033 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58 | -49.2 | 175.6 | -171.9 | -171.1 | -18.8 | 0 | 0 | 111 | S3451 I3454 S3455 L3458 L3488 M3489 W3494 Y3495 T3496 | S3451-Q3492 WeakPolarHBondContact OG-CG 3.45Å; I3454-Q3492 HydrophobicContact CB-CB 4.42Å; I3454-Q3492 HydrophobicContact CG2-CB 3.9Å; S3455-Q3492 VanDerWaalsContact CB-NE2 3.31Å; S3455-Q3492 PolarHBondContact OG-NE2 3.17Å; S3455-Q3492 VanDerWaalsContact OG-NE2 3.12Å; L3458-Q3492 HydrophobicContact CD1-CB 4.47Å; L3458-Q3492 VanDerWaalsContact CD1-OE1 3.26Å; L3488-Q3492 WeakPolarHBondContact O-CB 3.18Å; L3488-Q3492 PolarHBondContact O-N 3.23Å; M3489-Q3492 HydrophobicContact CE-CB 4.22Å; M3489-Q3492 VanDerWaalsContact CE-OE1 3.31Å; M3489-Q3492 PolarHBondContact O-N 3.06Å; Q3492-W3494 VanDerWaalsContact C-N 3.31Å; Q3492-W3494 PolarHBondContact O-N 3.22Å; Q3492-Y3495 PolarHBondContact O-N 3.2Å; Q3492-Y3495 VanDerWaalsContact O-N 3.12Å; Q3492-T3496 WeakPolarHBondContact O-CB 3.38Å; Q3492-T3496 WeakPolarHBondContact O-CG2 3.04Å; Q3492-T3496 PolarHBondContact O-N 3.08Å; Q3492-T3496 PolarHBondContact O-OG1 3.18Å |
| 3493 | L | 69.7 | Low | 68.4 | Low | 28.6 Ų | 28.6 | 23.4 Ų | 23.4 | 15% | 0.15 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.6 | -46.6 | 176.3 | -83.7 | 168.1 | 0 | 0 | 0 | 112 | F3211 L3228 F3229 I3232 L3253 M3489 L3490 L3491 T3496 S3497 | F3211-L3493 HydrophobicContact CZ-CD2 4.16Å; L3228-L3493 HydrophobicContact CD1-CD2 4.29Å; L3228-L3493 HydrophobicContact CD2-CD2 3.52Å; L3228-L3493 HydrophobicContact CD2-CG 4.35Å; L3228-L3493 HydrophobicContact CG-CD2 4.25Å; F3229-L3493 HydrophobicContact CD1-CD2 4.33Å; F3229-L3493 HydrophobicContact CE1-CD2 3.97Å; I3232-L3493 HydrophobicContact CD1-CD1 3.99Å; I3232-L3493 HydrophobicContact CD1-CD2 3.66Å; I3232-L3493 HydrophobicContact CD1-CG 3.86Å; L3253-L3493 HydrophobicContact CD1-CD1 4.07Å; M3489-L3493 WeakPolarHBondContact O-CB 3.42Å; M3489-L3493 WeakPolarHBondContact O-CG 3.28Å; M3489-L3493 PolarHBondContact O-N 3.08Å; L3490-L3493 WeakPolarHBondContact O-CB 3.48Å; L3490-L3493 PolarHBondContact O-N 3.19Å; L3491-L3493 VanDerWaalsContact C-N 3.35Å; L3491-L3493 PolarHBondContact O-N 3.33Å; L3493-T3496 WeakPolarHBondContact CA-OG1 3.41Å; L3493-T3496 PolarHBondContact O-N 3.25Å; L3493-T3496 PolarHBondContact O-OG1 2.92Å; L3493-S3497 WeakPolarHBondContact O-CB 3.36Å; L3493-S3497 PolarHBondContact O-N 3.41Å; L3493-S3497 VanDerWaalsContact O-N 3.12Å |
| 3494 | W | 70.9 | Confident | 67.5 | Low | 35 Ų | 35 | 23.8 Ų | 23.8 | 13% | 0.133 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.5 | -49.3 | 179.5 | -178.8 | 54.5 | 0 | 0 | 0 | 111.7 | F3210 L3490 L3491 Q3492 T3496 S3497 I3498 A3516 L3519 I3520 | F3210-W3494 AromaticContact CE2-CD1 3.7Å; F3210-W3494 HydrophobicContact CZ-CB 4.34Å; F3210-W3494 AromaticContact CZ-CD1 3.2Å; F3210-W3494 HydrophobicContact CZ-CG 4.04Å; F3210-W3494 AromaticContact CZ-NE1 3.99Å; L3490-W3494 WeakPolarHBondContact O-CB 3.35Å; L3490-W3494 PolarHBondContact O-N 3.17Å; L3491-W3494 HydrophobicContact CD2-CE3 4.23Å; L3491-W3494 PolarHBondContact O-N 3.27Å; Q3492-W3494 VanDerWaalsContact C-N 3.31Å; Q3492-W3494 PolarHBondContact O-N 3.22Å; W3494-T3496 VanDerWaalsContact C-N 3.34Å; W3494-T3496 PolarHBondContact O-N 2.99Å; W3494-S3497 WeakPolarHBondContact O-CB 3.33Å; W3494-S3497 PolarHBondContact O-N 3.15Å; W3494-S3497 VanDerWaalsContact O-N 3.12Å; W3494-S3497 PolarHBondContact O-OG 3.28Å; W3494-I3498 HydrophobicContact CD2-CD1 3.95Å; W3494-I3498 VanDerWaalsContact CE2-CD1 3.44Å; W3494-I3498 HydrophobicContact CE3-CD1 4.43Å; W3494-I3498 HydrophobicContact CG-CD1 4.32Å; W3494-I3498 HydrophobicContact CH2-CD1 4.38Å; W3494-I3498 HydrophobicContact CZ2-CD1 3.84Å; W3494-I3498 WeakPolarHBondContact O-CG1 3.34Å; W3494-I3498 PolarHBondContact O-N 2.97Å; W3494-I3498 VanDerWaalsContact O-N 3.09Å; W3494-A3516 HydrophobicContact CZ2-CB 4.41Å; W3494-L3519 HydrophobicContact CB-CD1 4.05Å; W3494-L3519 HydrophobicContact CB-CD2 4.41Å; W3494-L3519 HydrophobicContact CD2-CB 4.07Å; W3494-L3519 HydrophobicContact CD2-CD1 3.79Å; W3494-L3519 HydrophobicContact CD2-CG 4.42Å; W3494-L3519 HydrophobicContact CE3-CB 4.03Å; W3494-L3519 HydrophobicContact CE3-CD1 4.37Å; W3494-L3519 HydrophobicContact CG-CB 4.46Å; W3494-L3519 HydrophobicContact CG-CD1 3.55Å; W3494-L3519 VanDerWaalsContact CG-CD1 3.48Å; W3494-L3519 HydrophobicContact CG-CG 4.43Å; W3494-L3519 HydrophobicContact CH2-CB 4.32Å; W3494-L3519 HydrophobicContact CZ2-CB 4.39Å; W3494-L3519 HydrophobicContact CZ3-CB 4.17Å; W3494-I3520 HydrophobicContact CH2-CD1 4.48Å; W3494-I3520 HydrophobicContact CH2-CG1 3.86Å; W3494-I3520 HydrophobicContact CZ2-CG1 4.33Å; W3494-I3520 HydrophobicContact CZ3-CG1 4.42Å |
| 3495 | Y | 76.8 | Confident | 66.2 | Low | 1.6 Ų | 1.6 | 26.5 Ų | 26.5 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.2 | -38.6 | 179.6 | -69.2 | -48.1 | 0 | 0 | 0 | 113.5 | M3442 A3447 L3450 I3454 L3491 Q3492 S3497 I3498 A3499 T3523 | M3442-Y3495 HydrophobicContact CE-CD1 3.77Å; M3442-Y3495 HydrophobicContact CE-CE1 3.43Å; M3442-Y3495 VanDerWaalsContact CE-CE1 3.42Å; M3442-Y3495 HydrophobicContact CE-CG 4.25Å; M3442-Y3495 HydrophobicContact CG-CD1 4.39Å; M3442-Y3495 HydrophobicContact CG-CE1 4.31Å; M3442-Y3495 HydrophobicContact SD-CD1 3.99Å; M3442-Y3495 WeakPolarHBondContact SD-CD1 3.45Å; M3442-Y3495 HydrophobicContact SD-CE1 3.74Å; M3442-Y3495 WeakPolarHBondContact SD-CE1 3.18Å; A3447-Y3495 HydrophobicContact CB-CD1 4.24Å; A3447-Y3495 WeakPolarHBondContact CB-O 3.42Å; A3447-Y3495 WeakPolarHBondContact O-CB 3.21Å; L3450-Y3495 HydrophobicContact CB-CD1 4.4Å; L3450-Y3495 HydrophobicContact CB-CD2 3.9Å; L3450-Y3495 HydrophobicContact CB-CE2 4.07Å; L3450-Y3495 HydrophobicContact CB-CG 4.18Å; L3450-Y3495 HydrophobicContact CD1-CD1 4.1Å; L3450-Y3495 HydrophobicContact CD1-CD2 4.35Å; L3450-Y3495 HydrophobicContact CD1-CE1 3.93Å; L3450-Y3495 VanDerWaalsContact CD1-CE1 3.5Å; L3450-Y3495 HydrophobicContact CD1-CE2 4.02Å; L3450-Y3495 HydrophobicContact CD1-CG 4.42Å; L3450-Y3495 VanDerWaalsContact CD1-CZ 3.47Å; I3454-Y3495 HydrophobicContact CD1-CD2 3.78Å; I3454-Y3495 HydrophobicContact CD1-CE2 3.77Å; L3491-Y3495 HydrophobicContact CB-CD2 4.35Å; L3491-Y3495 HydrophobicContact CB-CE2 4.1Å; L3491-Y3495 HydrophobicContact CD2-CE2 4.36Å; L3491-Y3495 WeakPolarHBondContact O-CB 3.32Å; L3491-Y3495 WeakPolarHBondContact O-CD2 3.33Å; L3491-Y3495 PolarHBondContact O-N 3.24Å; Q3492-Y3495 PolarHBondContact O-N 3.2Å; Q3492-Y3495 VanDerWaalsContact O-N 3.12Å; Y3495-S3497 VanDerWaalsContact C-N 3.28Å; Y3495-S3497 PolarHBondContact O-N 3.14Å; Y3495-I3498 HydrophobicContact CD1-CD1 4.43Å; Y3495-I3498 PolarHBondContact O-N 3.13Å; Y3495-I3498 VanDerWaalsContact O-N 3.08Å; Y3495-A3499 WeakPolarHBondContact O-CB 3.26Å; Y3495-A3499 PolarHBondContact O-N 3.17Å; Y3495-T3523 WeakPolarHBondContact OH-CB 3.42Å; Y3495-T3523 WeakPolarHBondContact OH-CG2 3.34Å; Y3495-T3523 PolarHBondContact OH-OG1 3.18Å |
| 3496 | T | 72.4 | Confident | 64.7 | Low | 0.6 Ų | 0.6 | 30.2 Ų | 30.2 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.6 | -41.3 | 173.3 | -34.3 | 0 | 0 | 0 | 0 | 111 | L3228 F3355 S3451 Q3492 L3493 W3494 I3498 A3499 C3500 | L3228-T3496 HydrophobicContact CD1-CG2 4.33Å; L3228-T3496 HydrophobicContact CD2-CG2 4.2Å; F3355-T3496 HydrophobicContact CD1-CG2 3.45Å; F3355-T3496 VanDerWaalsContact CD1-CG2 3.43Å; F3355-T3496 HydrophobicContact CE1-CG2 3.65Å; F3355-T3496 HydrophobicContact CG-CG2 4.01Å; F3355-T3496 HydrophobicContact CZ-CG2 4.34Å; S3451-T3496 WeakPolarHBondContact OG-CG2 3.27Å; S3451-T3496 PolarHBondContact OG-OG1 3.2Å; Q3492-T3496 WeakPolarHBondContact O-CB 3.38Å; Q3492-T3496 WeakPolarHBondContact O-CG2 3.04Å; Q3492-T3496 PolarHBondContact O-N 3.08Å; Q3492-T3496 PolarHBondContact O-OG1 3.18Å; L3493-T3496 WeakPolarHBondContact CA-OG1 3.41Å; L3493-T3496 PolarHBondContact O-N 3.25Å; L3493-T3496 PolarHBondContact O-OG1 2.92Å; W3494-T3496 VanDerWaalsContact C-N 3.34Å; W3494-T3496 PolarHBondContact O-N 2.99Å; T3496-I3498 VanDerWaalsContact C-N 3.33Å; T3496-I3498 PolarHBondContact O-N 3.33Å; T3496-A3499 PolarHBondContact O-N 2.95Å; T3496-C3500 WeakPolarHBondContact O-CB 3.39Å; T3496-C3500 PolarHBondContact O-N 3.24Å; T3496-C3500 VanDerWaalsContact O-N 3.12Å; T3496-C3500 PolarHBondContact O-SG 3.17Å |
| 3497 | S | 67.8 | Low | 63.2 | Low | 28.2 Ų | 28.2 | 35.8 Ų | 35.8 | 20% | 0.197 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.6 | -34.3 | 179 | 82.1 | 0 | 0 | 0 | 0 | 113.2 | F3210 L3493 W3494 Y3495 C3500 A3501 | F3210-S3497 WeakPolarHBondContact CE1-OG 3.45Å; F3210-S3497 WeakPolarHBondContact CZ-OG 3.48Å; L3493-S3497 WeakPolarHBondContact O-CB 3.36Å; L3493-S3497 PolarHBondContact O-N 3.41Å; L3493-S3497 VanDerWaalsContact O-N 3.12Å; W3494-S3497 WeakPolarHBondContact O-CB 3.33Å; W3494-S3497 PolarHBondContact O-N 3.15Å; W3494-S3497 VanDerWaalsContact O-N 3.12Å; W3494-S3497 PolarHBondContact O-OG 3.28Å; Y3495-S3497 VanDerWaalsContact C-N 3.28Å; Y3495-S3497 PolarHBondContact O-N 3.14Å; S3497-C3500 CarbonylContact O-C 3.44Å; S3497-A3501 WeakPolarHBondContact O-CA 3.44Å; S3497-A3501 WeakPolarHBondContact O-CB 3.3Å; S3497-A3501 PolarHBondContact O-N 3.21Å; S3497-A3501 VanDerWaalsContact O-N 3.11Å |
| 3498 | I | 71.8 | Confident | 61.5 | Low | 24.4 Ų | 24.4 | 38.8 Ų | 38.8 | 13% | 0.125 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.3 | -46.6 | 175.5 | -66.8 | 167.4 | 0 | 0 | 0 | 109.9 | M3442 A3447 W3494 Y3495 T3496 C3500 A3501 | M3442-I3498 HydrophobicContact CB-CD1 4.26Å; M3442-I3498 HydrophobicContact CB-CG2 4.38Å; M3442-I3498 HydrophobicContact CG-CD1 4.21Å; M3442-I3498 HydrophobicContact CG-CG2 4.28Å; M3442-I3498 HydrophobicContact SD-CD1 3.87Å; A3447-I3498 HydrophobicContact CB-CB 3.85Å; A3447-I3498 HydrophobicContact CB-CG2 3.64Å; W3494-I3498 HydrophobicContact CD2-CD1 3.95Å; W3494-I3498 VanDerWaalsContact CE2-CD1 3.44Å; W3494-I3498 HydrophobicContact CE3-CD1 4.43Å; W3494-I3498 HydrophobicContact CG-CD1 4.32Å; W3494-I3498 HydrophobicContact CH2-CD1 4.38Å; W3494-I3498 HydrophobicContact CZ2-CD1 3.84Å; W3494-I3498 WeakPolarHBondContact O-CG1 3.34Å; W3494-I3498 PolarHBondContact O-N 2.97Å; W3494-I3498 VanDerWaalsContact O-N 3.09Å; Y3495-I3498 HydrophobicContact CD1-CD1 4.43Å; Y3495-I3498 PolarHBondContact O-N 3.13Å; Y3495-I3498 VanDerWaalsContact O-N 3.08Å; T3496-I3498 VanDerWaalsContact C-N 3.33Å; T3496-I3498 PolarHBondContact O-N 3.33Å; I3498-C3500 VanDerWaalsContact C-N 3.26Å; I3498-C3500 PolarHBondContact O-N 3.28Å; I3498-A3501 WeakPolarHBondContact O-CB 3.23Å; I3498-A3501 PolarHBondContact O-N 3.25Å; I3498-A3501 VanDerWaalsContact O-N 3.11Å |
| 3499 | A | 73.3 | Confident | 59.7 | Low | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.008 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.1 | -41 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | L3354 A3447 A3448 Y3495 T3496 | L3354-A3499 HydrophobicContact CD1-CB 4.26Å; A3447-A3499 HydrophobicContact CB-CB 4.34Å; A3448-A3499 HydrophobicContact CB-CB 3.86Å; Y3495-A3499 WeakPolarHBondContact O-CB 3.26Å; Y3495-A3499 PolarHBondContact O-N 3.17Å; T3496-A3499 PolarHBondContact O-N 2.95Å |
| 3500 | C | 68.8 | Low | 58.2 | Low | 12.8 Ų | 12.8 | 52.7 Ų | 52.7 | 9% | 0.086 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 6.3 | -179 | -55.9 | 0 | 0 | 0 | 0 | 114.1 | K3214 E3351 F3355 T3496 S3497 I3498 H3502 | K3214-C3500 WeakPolarHBondContact CE-O 3.41Å; K3214-C3500 PolarHBondContact NZ-O 3.08Å; E3351-C3500 HydrophobicContact CG-CB 4.41Å; F3355-C3500 HydrophobicContact CD2-CB 4.41Å; F3355-C3500 HydrophobicContact CE2-CB 3.77Å; F3355-C3500 VanDerWaalsContact CE2-CB 3.47Å; F3355-C3500 VanDerWaalsContact CE2-SG 3.6Å; F3355-C3500 WeakPolarHBondContact CE2-SG 3.45Å; F3355-C3500 HydrophobicContact CZ-CB 3.97Å; T3496-C3500 WeakPolarHBondContact O-CB 3.39Å; T3496-C3500 PolarHBondContact O-N 3.24Å; T3496-C3500 VanDerWaalsContact O-N 3.12Å; T3496-C3500 PolarHBondContact O-SG 3.17Å; S3497-C3500 CarbonylContact O-C 3.44Å; I3498-C3500 VanDerWaalsContact C-N 3.26Å; I3498-C3500 PolarHBondContact O-N 3.28Å; C3500-H3502 PolarHBondContact O-N 2.87Å |
| 3501 | A | 63.3 | Low | 57 | Low | 22.6 Ų | 22.6 | 55.2 Ų | 55.2 | 19% | 0.187 | 31% | 0.305 | C | S | . | . | trans | -66.6 | 136.8 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | K3444 S3497 I3498 I3507 | K3444-A3501 WeakPolarHBondContact CE-O 3.39Å; K3444-A3501 PolarHBondContact NZ-O 3.03Å; S3497-A3501 WeakPolarHBondContact O-CA 3.44Å; S3497-A3501 WeakPolarHBondContact O-CB 3.3Å; S3497-A3501 PolarHBondContact O-N 3.21Å; S3497-A3501 VanDerWaalsContact O-N 3.11Å; I3498-A3501 WeakPolarHBondContact O-CB 3.23Å; I3498-A3501 PolarHBondContact O-N 3.25Å; I3498-A3501 VanDerWaalsContact O-N 3.11Å; A3501-I3507 HydrophobicContact CB-CD1 4.09Å | ||
| 3502 | H | 56.2 | Low | 55.7 | Low | 76.8 Ų | 76.8 | 60.4 Ų | 60.4 | 36% | 0.356 | 33% | 0.329 | S | S | . | . | trans | -70.1 | 141.3 | 175.6 | -145.4 | -55.6 | 0 | 0 | 0 | 110.6 | N3378 C3500 L3504 C3505 | N3378-H3502 PolarHBondContact OD1-CE1 2.95Å; N3378-H3502 PolarHBondContact OD1-NE2 3.38Å; C3500-H3502 PolarHBondContact O-N 2.87Å; H3502-L3504 PolarHBondContact O-N 3.25Å; H3502-L3504 VanDerWaalsContact O-N 3.07Å; H3502-C3505 WeakPolarHBondContact O-CB 3.47Å; H3502-C3505 PolarHBondContact O-N 3.32Å; H3502-C3505 VanDerWaalsContact O-N 3.14Å | ||
| 3503 | P | 48.1 | Very low | 54.3 | Low | 32.4 Ų | 32.4 | 62.8 Ų | 62.8 | 21% | 0.21 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -55.6 | -26.2 | -176.2 | 7.2 | -17.7 | 0 | 0 | 0 | 115.1 | N3378 C3505 H3506 | N3378-P3503 HydrophobicContact CB-CG 3.88Å; N3378-P3503 VanDerWaalsContact CB-CG 3.49Å; P3503-C3505 VanDerWaalsContact C-N 3.32Å; P3503-C3505 PolarHBondContact O-N 3.04Å; P3503-C3505 VanDerWaalsContact O-N 3.12Å; P3503-H3506 WeakPolarHBondContact O-CB 3.34Å; P3503-H3506 PolarHBondContact O-CD2 3.34Å; P3503-H3506 PolarHBondContact O-N 3.07Å |
| 3504 | L | 40 | Very low | 53.3 | Low | 134.8 Ų | 134.8 | 66.6 Ų | 66.6 | 71% | 0.706 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -64.6 | -15.7 | 176.2 | -72.2 | 164.6 | 0 | 0 | 0 | 113.6 | V3213 H3502 H3506 I3507 | V3213-L3504 HydrophobicContact CG1-CB 4Å; V3213-L3504 HydrophobicContact CG1-CD1 3.6Å; V3213-L3504 HydrophobicContact CG1-CG 4.42Å; H3502-L3504 PolarHBondContact O-N 3.25Å; H3502-L3504 VanDerWaalsContact O-N 3.07Å; L3504-H3506 VanDerWaalsContact C-N 3.3Å; L3504-H3506 PolarHBondContact O-N 2.94Å; L3504-I3507 HydrophobicContact CD2-CD1 4.3Å; L3504-I3507 WeakPolarHBondContact O-CD1 3.25Å; L3504-I3507 WeakPolarHBondContact O-CG1 3.46Å |
| 3505 | C | 40.2 | Very low | 52.4 | Low | 62.6 Ų | 62.6 | 68.4 Ų | 68.4 | 42% | 0.423 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -83.3 | 15.5 | 172 | -69.1 | 0 | 0 | 0 | 0 | 112.7 | H3502 P3503 I3507 S3508 | H3502-C3505 WeakPolarHBondContact O-CB 3.47Å; H3502-C3505 PolarHBondContact O-N 3.32Å; H3502-C3505 VanDerWaalsContact O-N 3.14Å; P3503-C3505 VanDerWaalsContact C-N 3.32Å; P3503-C3505 PolarHBondContact O-N 3.04Å; P3503-C3505 VanDerWaalsContact O-N 3.12Å; C3505-I3507 VanDerWaalsContact C-N 3.31Å; C3505-I3507 HydrophobicContact CB-CD1 4.25Å; C3505-I3507 HydrophobicContact CB-CG1 4.05Å; C3505-I3507 PolarHBondContact O-N 3.3Å; C3505-S3508 PolarHBondContact O-N 2.95Å; C3505-S3508 PolarHBondContact O-OG 2.81Å |
| 3506 | H | 36.9 | Very low | 51.4 | Low | 101.2 Ų | 101.2 | 69 Ų | 69 | 47% | 0.469 | 38% | 0.38 | S | S | . | . | trans | -75.7 | 42 | 173.1 | -69.8 | -63.1 | 0 | 0 | 0 | 112.1 | K3444 P3503 L3504 S3508 Q3509 | K3444-H3506 WeakPolarHBondContact CE-NE2 3.25Å; P3503-H3506 WeakPolarHBondContact O-CB 3.34Å; P3503-H3506 PolarHBondContact O-CD2 3.34Å; P3503-H3506 PolarHBondContact O-N 3.07Å; L3504-H3506 VanDerWaalsContact C-N 3.3Å; L3504-H3506 PolarHBondContact O-N 2.94Å; H3506-S3508 PolarHBondContact O-N 3.21Å; H3506-Q3509 PolarHBondContact ND1-OE1 3.19Å; H3506-Q3509 VanDerWaalsContact ND1-OE1 3.14Å; H3506-Q3509 PolarHBondContact O-N 3.46Å | ||
| 3507 | I | 34.8 | Very low | 50.8 | Low | 120 Ų | 120 | 71.2 Ų | 71.2 | 62% | 0.615 | 40% | 0.395 | S | S | * | . | trans | -73.3 | 49 | 168.4 | -57 | 172.9 | 0 | 0 | 0 | 108.5 | A3501 L3504 C3505 Q3509 Q3510 | A3501-I3507 HydrophobicContact CB-CD1 4.09Å; L3504-I3507 HydrophobicContact CD2-CD1 4.3Å; L3504-I3507 WeakPolarHBondContact O-CD1 3.25Å; L3504-I3507 WeakPolarHBondContact O-CG1 3.46Å; C3505-I3507 VanDerWaalsContact C-N 3.31Å; C3505-I3507 HydrophobicContact CB-CD1 4.25Å; C3505-I3507 HydrophobicContact CB-CG1 4.05Å; C3505-I3507 PolarHBondContact O-N 3.3Å; I3507-Q3509 VanDerWaalsContact C-N 3.28Å; I3507-Q3509 PolarHBondContact O-N 2.92Å; I3507-Q3510 HydrophobicContact CG2-CB 3.49Å; I3507-Q3510 VanDerWaalsContact CG2-CB 3.49Å; I3507-Q3510 HydrophobicContact CG2-CG 4.29Å | ||
| 3508 | S | 35.3 | Very low | 50.3 | Low | 86.8 Ų | 86.8 | 73.2 Ų | 73.2 | 61% | 0.607 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 68.5 | 174.8 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | C3505 H3506 Q3510 | C3505-S3508 PolarHBondContact O-N 2.95Å; C3505-S3508 PolarHBondContact O-OG 2.81Å; H3506-S3508 PolarHBondContact O-N 3.21Å; S3508-Q3510 PolarHBondContact O-N 3.07Å |
| 3509 | Q | 38.4 | Very low | 49.9 | Very low | 162.2 Ų | 162.2 | 72.3 Ų | 72.3 | 76% | 0.758 | 40% | 0.396 | S | S | * | . | trans | -131.2 | 26.4 | 171.8 | -72.3 | 172.9 | -12.2 | 0 | 0 | 114.7 | H3506 I3507 A3511 | H3506-Q3509 PolarHBondContact ND1-OE1 3.19Å; H3506-Q3509 VanDerWaalsContact ND1-OE1 3.14Å; H3506-Q3509 PolarHBondContact O-N 3.46Å; I3507-Q3509 VanDerWaalsContact C-N 3.28Å; I3507-Q3509 PolarHBondContact O-N 2.92Å; Q3509-A3511 VanDerWaalsContact C-N 3.34Å; Q3509-A3511 PolarHBondContact O-N 3.38Å | ||
| 3510 | Q | 38.2 | Very low | 49.6 | Very low | 139.8 Ų | 139.8 | 74.6 Ų | 74.6 | 65% | 0.653 | 41% | 0.408 | S | S | * | . | trans | -82.4 | 115.3 | 170.5 | -71.5 | -174.7 | -16.9 | 0 | 0 | 110.4 | I3507 S3508 H3512 S3513 | I3507-Q3510 HydrophobicContact CG2-CB 3.49Å; I3507-Q3510 VanDerWaalsContact CG2-CB 3.49Å; I3507-Q3510 HydrophobicContact CG2-CG 4.29Å; S3508-Q3510 PolarHBondContact O-N 3.07Å; Q3510-H3512 PolarHBondContact O-N 3.09Å; Q3510-H3512 VanDerWaalsContact O-N 3.15Å; Q3510-S3513 PolarHBondContact O-N 3.4Å | ||
| 3511 | A | 41.6 | Very low | 49.6 | Very low | 81 Ų | 81 | 79 Ų | 79 | 67% | 0.669 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 89.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q3509 S3513 | Q3509-A3511 VanDerWaalsContact C-N 3.34Å; Q3509-A3511 PolarHBondContact O-N 3.38Å; A3511-S3513 PolarHBondContact O-N 3.19Å |
| 3512 | H | 46.5 | Very low | 49.9 | Very low | 109.8 Ų | 109.8 | 79.6 Ų | 79.6 | 51% | 0.508 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 90.9 | -174.5 | -65.8 | -52.1 | 0 | 0 | 0 | 112 | S3439 Q3440 Q3510 I3514 A3516 | S3439-H3512 WeakPolarHBondContact CB-NE2 3.43Å; Q3440-H3512 PolarHBondContact O-CE1 3.13Å; Q3440-H3512 PolarHBondContact O-NE2 3Å; Q3510-H3512 PolarHBondContact O-N 3.09Å; Q3510-H3512 VanDerWaalsContact O-N 3.15Å; H3512-I3514 PolarHBondContact O-N 3.04Å; H3512-A3516 HydrophobicContact CB-CB 4.06Å |
| 3513 | S | 49.2 | Very low | 50.8 | Low | 56 Ų | 56 | 76.3 Ų | 76.3 | 39% | 0.392 | 41% | 0.411 | S | S | . | . | trans | -59.5 | 142.2 | 170.8 | 70.9 | 0 | 0 | 0 | 0 | 109.6 | Q3510 A3511 F3515 A3516 S3517 | Q3510-S3513 PolarHBondContact O-N 3.4Å; A3511-S3513 PolarHBondContact O-N 3.19Å; S3513-F3515 CarbonylContact O-C 3.55Å; S3513-F3515 PolarHBondContact O-N 3.02Å; S3513-F3515 VanDerWaalsContact O-N 3.08Å; S3513-A3516 WeakPolarHBondContact O-CA 3.4Å; S3513-A3516 WeakPolarHBondContact O-CB 3.44Å; S3513-A3516 PolarHBondContact O-N 3.16Å; S3513-A3516 VanDerWaalsContact O-N 3.08Å; S3513-A3516 WeakPolarHBondContact OG-CB 3.3Å; S3513-A3516 PolarHBondContact OG-N 3.06Å; S3513-A3516 VanDerWaalsContact OG-N 3.14Å; S3513-S3517 PolarHBondContact O-N 2.91Å | ||
| 3514 | I | 48.7 | Very low | 52.1 | Low | 108.2 Ų | 108.2 | 79.7 Ų | 79.7 | 56% | 0.555 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -54.3 | -33.9 | -179.4 | -64 | 166.3 | 0 | 0 | 0 | 110.5 | Y3184 T3185 H3512 S3517 E3518 | Y3184-I3514 HydrophobicContact CD1-CB 3.71Å; Y3184-I3514 HydrophobicContact CD1-CD1 3.95Å; Y3184-I3514 HydrophobicContact CD1-CG1 4.44Å; Y3184-I3514 HydrophobicContact CD1-CG2 3.27Å; Y3184-I3514 HydrophobicContact CD2-CD1 4.34Å; Y3184-I3514 HydrophobicContact CE1-CB 3.29Å; Y3184-I3514 HydrophobicContact CE1-CD1 3.47Å; Y3184-I3514 VanDerWaalsContact CE1-CD1 3.47Å; Y3184-I3514 HydrophobicContact CE1-CG1 3.96Å; Y3184-I3514 HydrophobicContact CE1-CG2 3.46Å; Y3184-I3514 VanDerWaalsContact CE1-CG2 3.46Å; Y3184-I3514 HydrophobicContact CE2-CD1 3.81Å; Y3184-I3514 HydrophobicContact CG-CD1 4.38Å; Y3184-I3514 HydrophobicContact CG-CG2 4.26Å; T3185-I3514 HydrophobicContact CG2-CG2 3.62Å; T3185-I3514 VanDerWaalsContact CG2-O 3.24Å; T3185-I3514 WeakPolarHBondContact CG2-O 3.39Å; H3512-I3514 PolarHBondContact O-N 3.04Å; I3514-S3517 WeakPolarHBondContact CA-OG 3.06Å; I3514-S3517 VanDerWaalsContact O-CB 3.26Å; I3514-S3517 WeakPolarHBondContact O-CB 3.37Å; I3514-S3517 PolarHBondContact O-N 3.27Å; I3514-S3517 PolarHBondContact O-OG 2.88Å; I3514-E3518 HydrophobicContact CG2-CG 4.48Å; I3514-E3518 WeakPolarHBondContact O-CG 3.2Å; I3514-E3518 PolarHBondContact O-N 3.23Å; I3514-E3518 VanDerWaalsContact O-N 3.07Å |
| 3515 | F | 51.4 | Low | 53.8 | Low | 73.8 Ų | 73.8 | 78.4 Ų | 78.4 | 32% | 0.324 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 173.6 | -174.6 | -118.5 | 0 | 0 | 0 | 113.5 | K3189 F3201 L3207 S3513 S3517 E3518 L3519 | K3189-F3515 HydrophobicContact CB-CD2 3.91Å; K3189-F3515 HydrophobicContact CB-CE2 3.87Å; K3189-F3515 HydrophobicContact CD-CD2 4.04Å; K3189-F3515 HydrophobicContact CD-CE2 3.51Å; K3189-F3515 HydrophobicContact CG-CD2 3.97Å; K3189-F3515 HydrophobicContact CG-CE2 3.41Å; K3189-F3515 VanDerWaalsContact CG-CE2 3.41Å; K3189-F3515 HydrophobicContact CG-CZ 4.32Å; F3201-F3515 HydrophobicContact CD1-CD2 4.28Å; F3201-F3515 HydrophobicContact CD1-CG 4.43Å; F3201-F3515 HydrophobicContact CE1-CB 3.56Å; F3201-F3515 HydrophobicContact CE1-CD1 4.1Å; F3201-F3515 AromaticContact CE1-CD2 3.41Å; F3201-F3515 HydrophobicContact CE1-CD2 3.41Å; F3201-F3515 VanDerWaalsContact CE1-CD2 3.41Å; F3201-F3515 HydrophobicContact CE1-CE2 4.04Å; F3201-F3515 AromaticContact CE1-CG 3.43Å; F3201-F3515 HydrophobicContact CE1-CG 3.43Å; F3201-F3515 VanDerWaalsContact CE1-CG 3.43Å; F3201-F3515 HydrophobicContact CE2-CD2 4.11Å; F3201-F3515 HydrophobicContact CZ-CB 3.64Å; F3201-F3515 AromaticContact CZ-CD2 3.3Å; F3201-F3515 HydrophobicContact CZ-CD2 3.3Å; F3201-F3515 HydrophobicContact CZ-CE2 4.1Å; F3201-F3515 AromaticContact CZ-CG 3.67Å; F3201-F3515 HydrophobicContact CZ-CG 3.67Å; L3207-F3515 HydrophobicContact CD1-CE1 4.27Å; L3207-F3515 HydrophobicContact CD1-CE2 4.39Å; L3207-F3515 HydrophobicContact CD1-CZ 3.82Å; L3207-F3515 HydrophobicContact CD2-CE1 4.25Å; L3207-F3515 HydrophobicContact CD2-CZ 4.33Å; L3207-F3515 HydrophobicContact CG-CE1 3.72Å; L3207-F3515 HydrophobicContact CG-CZ 3.79Å; S3513-F3515 CarbonylContact O-C 3.55Å; S3513-F3515 PolarHBondContact O-N 3.02Å; S3513-F3515 VanDerWaalsContact O-N 3.08Å; F3515-S3517 VanDerWaalsContact C-N 3.29Å; F3515-S3517 PolarHBondContact O-N 3.09Å; F3515-E3518 PolarHBondContact O-N 2.98Å; F3515-L3519 HydrophobicContact CD1-CD1 3.76Å; F3515-L3519 HydrophobicContact CD1-CG 4.48Å; F3515-L3519 HydrophobicContact CD2-CD1 4.24Å; F3515-L3519 HydrophobicContact CD2-CG 4.43Å; F3515-L3519 HydrophobicContact CE1-CD1 3.33Å; F3515-L3519 HydrophobicContact CE1-CG 4.18Å; F3515-L3519 HydrophobicContact CE2-CD1 3.94Å; F3515-L3519 HydrophobicContact CE2-CD2 4.43Å; F3515-L3519 HydrophobicContact CE2-CG 4.21Å; F3515-L3519 HydrophobicContact CG-CD1 4.31Å; F3515-L3519 HydrophobicContact CZ-CD1 3.51Å; F3515-L3519 HydrophobicContact CZ-CD2 4.37Å; F3515-L3519 HydrophobicContact CZ-CG 4.17Å; F3515-L3519 WeakPolarHBondContact O-CG 3.38Å; F3515-L3519 PolarHBondContact O-N 3.29Å |
| 3516 | A | 56.9 | Low | 55.7 | Low | 14.8 Ų | 14.8 | 76.2 Ų | 76.2 | 12% | 0.122 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.2 | -36.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | W3494 H3512 S3513 E3518 L3519 I3520 | W3494-A3516 HydrophobicContact CZ2-CB 4.41Å; H3512-A3516 HydrophobicContact CB-CB 4.06Å; S3513-A3516 WeakPolarHBondContact O-CA 3.4Å; S3513-A3516 WeakPolarHBondContact O-CB 3.44Å; S3513-A3516 PolarHBondContact O-N 3.16Å; S3513-A3516 VanDerWaalsContact O-N 3.08Å; S3513-A3516 WeakPolarHBondContact OG-CB 3.3Å; S3513-A3516 PolarHBondContact OG-N 3.06Å; S3513-A3516 VanDerWaalsContact OG-N 3.14Å; A3516-E3518 PolarHBondContact O-N 2.99Å; A3516-L3519 PolarHBondContact O-N 3.06Å; A3516-I3520 WeakPolarHBondContact O-CB 3.36Å; A3516-I3520 WeakPolarHBondContact O-CD1 3.31Å; A3516-I3520 VanDerWaalsContact O-CG1 3.25Å; A3516-I3520 WeakPolarHBondContact O-CG1 3.31Å; A3516-I3520 PolarHBondContact O-N 3.21Å |
| 3517 | S | 58.9 | Low | 57.7 | Low | 47 Ų | 47 | 71.4 Ų | 71.4 | 33% | 0.329 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 174.2 | 136.4 | 0 | 0 | 0 | 0 | 112.6 | S3513 I3514 F3515 L3519 I3520 K3521 | S3513-S3517 PolarHBondContact O-N 2.91Å; I3514-S3517 WeakPolarHBondContact CA-OG 3.06Å; I3514-S3517 VanDerWaalsContact O-CB 3.26Å; I3514-S3517 WeakPolarHBondContact O-CB 3.37Å; I3514-S3517 PolarHBondContact O-N 3.27Å; I3514-S3517 PolarHBondContact O-OG 2.88Å; F3515-S3517 VanDerWaalsContact C-N 3.29Å; F3515-S3517 PolarHBondContact O-N 3.09Å; S3517-L3519 VanDerWaalsContact C-N 3.34Å; S3517-L3519 PolarHBondContact O-N 3.49Å; S3517-I3520 PolarHBondContact O-N 3.25Å; S3517-K3521 WeakPolarHBondContact O-CG 3.24Å; S3517-K3521 PolarHBondContact O-N 3.11Å; S3517-K3521 VanDerWaalsContact O-N 3.14Å |
| 3518 | E | 57.9 | Low | 59.8 | Low | 70.2 Ų | 70.2 | 69.2 Ų | 69.2 | 33% | 0.328 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.5 | -38 | 175.6 | -70 | -53.1 | 130.6 | 0 | 0 | 112.1 | T3185 I3514 F3515 A3516 I3520 K3521 L3522 | T3185-E3518 HydrophobicContact CG2-CB 3.79Å; T3185-E3518 HydrophobicContact CG2-CG 3.2Å; I3514-E3518 HydrophobicContact CG2-CG 4.48Å; I3514-E3518 WeakPolarHBondContact O-CG 3.2Å; I3514-E3518 PolarHBondContact O-N 3.23Å; I3514-E3518 VanDerWaalsContact O-N 3.07Å; F3515-E3518 PolarHBondContact O-N 2.98Å; A3516-E3518 PolarHBondContact O-N 2.99Å; E3518-I3520 VanDerWaalsContact C-N 3.33Å; E3518-I3520 PolarHBondContact O-N 3.23Å; E3518-K3521 WeakPolarHBondContact O-CB 3.41Å; E3518-K3521 PolarHBondContact O-N 3.12Å; E3518-K3521 VanDerWaalsContact O-N 3.17Å; E3518-K3521 WeakPolarHBondContact OE1-CE 3.49Å; E3518-K3521 IonicContact OE1-NZ 3.11Å; E3518-K3521 PolarHBondContact OE1-NZ 3.07Å; E3518-K3521 WeakPolarHBondContact OE2-CD 3.39Å; E3518-K3521 IonicContact OE2-NZ 3.34Å; E3518-K3521 PolarHBondContact OE2-NZ 3.44Å; E3518-L3522 WeakPolarHBondContact O-CB 3.42Å; E3518-L3522 WeakPolarHBondContact O-CG 3.32Å; E3518-L3522 PolarHBondContact O-N 2.98Å |
| 3519 | L | 63.4 | Low | 61.7 | Low | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.3 | -36.9 | 173.9 | -73.9 | 169.1 | 0 | 0 | 0 | 112.4 | L3490 L3491 W3494 F3515 A3516 S3517 K3521 L3522 T3523 | L3490-L3519 HydrophobicContact CB-CD2 4.4Å; L3491-L3519 HydrophobicContact CD2-CD2 4.26Å; W3494-L3519 HydrophobicContact CB-CD1 4.05Å; W3494-L3519 HydrophobicContact CB-CD2 4.41Å; W3494-L3519 HydrophobicContact CD2-CB 4.07Å; W3494-L3519 HydrophobicContact CD2-CD1 3.79Å; W3494-L3519 HydrophobicContact CD2-CG 4.42Å; W3494-L3519 HydrophobicContact CE3-CB 4.03Å; W3494-L3519 HydrophobicContact CE3-CD1 4.37Å; W3494-L3519 HydrophobicContact CG-CB 4.46Å; W3494-L3519 HydrophobicContact CG-CD1 3.55Å; W3494-L3519 VanDerWaalsContact CG-CD1 3.48Å; W3494-L3519 HydrophobicContact CG-CG 4.43Å; W3494-L3519 HydrophobicContact CH2-CB 4.32Å; W3494-L3519 HydrophobicContact CZ2-CB 4.39Å; W3494-L3519 HydrophobicContact CZ3-CB 4.17Å; F3515-L3519 HydrophobicContact CD1-CD1 3.76Å; F3515-L3519 HydrophobicContact CD1-CG 4.48Å; F3515-L3519 HydrophobicContact CD2-CD1 4.24Å; F3515-L3519 HydrophobicContact CD2-CG 4.43Å; F3515-L3519 HydrophobicContact CE1-CD1 3.33Å; F3515-L3519 HydrophobicContact CE1-CG 4.18Å; F3515-L3519 HydrophobicContact CE2-CD1 3.94Å; F3515-L3519 HydrophobicContact CE2-CD2 4.43Å; F3515-L3519 HydrophobicContact CE2-CG 4.21Å; F3515-L3519 HydrophobicContact CG-CD1 4.31Å; F3515-L3519 HydrophobicContact CZ-CD1 3.51Å; F3515-L3519 HydrophobicContact CZ-CD2 4.37Å; F3515-L3519 HydrophobicContact CZ-CG 4.17Å; F3515-L3519 WeakPolarHBondContact O-CG 3.38Å; F3515-L3519 PolarHBondContact O-N 3.29Å; A3516-L3519 PolarHBondContact O-N 3.06Å; S3517-L3519 VanDerWaalsContact C-N 3.34Å; S3517-L3519 PolarHBondContact O-N 3.49Å; L3519-K3521 VanDerWaalsContact C-N 3.33Å; L3519-K3521 PolarHBondContact O-N 3.33Å; L3519-L3522 HydrophobicContact CD2-CD1 4.23Å; L3519-L3522 CarbonylContact O-C 3.44Å; L3519-L3522 WeakPolarHBondContact O-CB 3.33Å; L3519-L3522 PolarHBondContact O-N 2.96Å; L3519-T3523 WeakPolarHBondContact O-CB 3.35Å; L3519-T3523 PolarHBondContact O-N 3.2Å; L3519-T3523 PolarHBondContact O-OG1 3.21Å; L3519-T3523 VanDerWaalsContact O-OG1 3.08Å |
| 3520 | I | 67.6 | Low | 63.6 | Low | 49.4 Ų | 49.4 | 63.2 Ų | 63.2 | 25% | 0.253 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 172.3 | -69.3 | 163.3 | 0 | 0 | 0 | 110.8 | W3494 A3516 S3517 E3518 T3523 R3524 | W3494-I3520 HydrophobicContact CH2-CD1 4.48Å; W3494-I3520 HydrophobicContact CH2-CG1 3.86Å; W3494-I3520 HydrophobicContact CZ2-CG1 4.33Å; W3494-I3520 HydrophobicContact CZ3-CG1 4.42Å; A3516-I3520 WeakPolarHBondContact O-CB 3.36Å; A3516-I3520 WeakPolarHBondContact O-CD1 3.31Å; A3516-I3520 VanDerWaalsContact O-CG1 3.25Å; A3516-I3520 WeakPolarHBondContact O-CG1 3.31Å; A3516-I3520 PolarHBondContact O-N 3.21Å; S3517-I3520 PolarHBondContact O-N 3.25Å; E3518-I3520 VanDerWaalsContact C-N 3.33Å; E3518-I3520 PolarHBondContact O-N 3.23Å; I3520-T3523 WeakPolarHBondContact O-CB 3.45Å; I3520-T3523 PolarHBondContact O-N 3.08Å; I3520-R3524 VanDerWaalsContact O-CG 3.29Å; I3520-R3524 WeakPolarHBondContact O-CG 3.38Å; I3520-R3524 PolarHBondContact O-N 3.13Å |
| 3521 | K | 68.8 | Low | 65.6 | Low | 105 Ų | 105 | 57.5 Ų | 57.5 | 46% | 0.457 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 173.8 | -68.4 | 173.9 | -166.6 | 169 | 0 | 111.7 | S3517 E3518 L3519 T3523 R3524 L3525 | S3517-K3521 WeakPolarHBondContact O-CG 3.24Å; S3517-K3521 PolarHBondContact O-N 3.11Å; S3517-K3521 VanDerWaalsContact O-N 3.14Å; E3518-K3521 WeakPolarHBondContact O-CB 3.41Å; E3518-K3521 PolarHBondContact O-N 3.12Å; E3518-K3521 VanDerWaalsContact O-N 3.17Å; E3518-K3521 WeakPolarHBondContact OE1-CE 3.49Å; E3518-K3521 IonicContact OE1-NZ 3.11Å; E3518-K3521 PolarHBondContact OE1-NZ 3.07Å; E3518-K3521 WeakPolarHBondContact OE2-CD 3.39Å; E3518-K3521 IonicContact OE2-NZ 3.34Å; E3518-K3521 PolarHBondContact OE2-NZ 3.44Å; L3519-K3521 VanDerWaalsContact C-N 3.33Å; L3519-K3521 PolarHBondContact O-N 3.33Å; K3521-T3523 VanDerWaalsContact C-N 3.34Å; K3521-T3523 PolarHBondContact O-N 3.28Å; K3521-R3524 WeakPolarHBondContact O-CB 3.32Å; K3521-R3524 PolarHBondContact O-N 3.21Å; K3521-R3524 VanDerWaalsContact O-N 3.14Å; K3521-L3525 WeakPolarHBondContact O-CG 3.37Å; K3521-L3525 PolarHBondContact O-N 3.21Å |
| 3522 | L | 69.7 | Low | 67.2 | Low | 36.6 Ų | 36.6 | 56 Ų | 56 | 19% | 0.192 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 175.9 | -91.4 | 165.3 | 0 | 0 | 0 | 111.4 | N3487 L3491 E3518 L3519 R3524 L3525 E3526 | N3487-L3522 HydrophobicContact CB-CD1 4.22Å; N3487-L3522 HydrophobicContact CB-CD2 4.21Å; N3487-L3522 HydrophobicContact CB-CG 4.34Å; L3491-L3522 HydrophobicContact CD1-CD2 3.52Å; L3491-L3522 HydrophobicContact CD2-CB 4.31Å; L3491-L3522 HydrophobicContact CD2-CD2 3.62Å; L3491-L3522 HydrophobicContact CG-CD2 3.34Å; E3518-L3522 WeakPolarHBondContact O-CB 3.42Å; E3518-L3522 WeakPolarHBondContact O-CG 3.32Å; E3518-L3522 PolarHBondContact O-N 2.98Å; L3519-L3522 HydrophobicContact CD2-CD1 4.23Å; L3519-L3522 CarbonylContact O-C 3.44Å; L3519-L3522 WeakPolarHBondContact O-CB 3.33Å; L3519-L3522 PolarHBondContact O-N 2.96Å; L3522-R3524 VanDerWaalsContact C-N 3.33Å; L3522-R3524 PolarHBondContact O-N 3.16Å; L3522-L3525 PolarHBondContact O-N 3.22Å; L3522-L3525 VanDerWaalsContact O-N 3.14Å; L3522-E3526 HydrophobicContact CD2-CG 3.94Å; L3522-E3526 HydrophobicContact CG-CG 4.41Å; L3522-E3526 WeakPolarHBondContact O-CB 3.47Å; L3522-E3526 PolarHBondContact O-N 3.33Å |
| 3523 | T | 74.8 | Confident | 68.6 | Low | 6.4 Ų | 6.4 | 52 Ų | 52 | 4% | 0.039 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.1 | -50.9 | 171.2 | -62.9 | 0 | 0 | 0 | 0 | 110.6 | F3429 L3491 Y3495 L3519 I3520 K3521 L3525 V3527 | F3429-T3523 VanDerWaalsContact CZ-O 3.24Å; F3429-T3523 WeakPolarHBondContact CZ-O 3.35Å; L3491-T3523 VanDerWaalsContact CD2-OG1 3.26Å; L3491-T3523 WeakPolarHBondContact CD2-OG1 3.39Å; Y3495-T3523 WeakPolarHBondContact OH-CB 3.42Å; Y3495-T3523 WeakPolarHBondContact OH-CG2 3.34Å; Y3495-T3523 PolarHBondContact OH-OG1 3.18Å; L3519-T3523 WeakPolarHBondContact O-CB 3.35Å; L3519-T3523 PolarHBondContact O-N 3.2Å; L3519-T3523 PolarHBondContact O-OG1 3.21Å; L3519-T3523 VanDerWaalsContact O-OG1 3.08Å; I3520-T3523 WeakPolarHBondContact O-CB 3.45Å; I3520-T3523 PolarHBondContact O-N 3.08Å; K3521-T3523 VanDerWaalsContact C-N 3.34Å; K3521-T3523 PolarHBondContact O-N 3.28Å; T3523-L3525 VanDerWaalsContact C-N 3.25Å; T3523-L3525 PolarHBondContact O-N 3.03Å; T3523-V3527 HydrophobicContact CG2-CB 4.44Å; T3523-V3527 HydrophobicContact CG2-CG2 3.94Å; T3523-V3527 VanDerWaalsContact O-CB 3.24Å; T3523-V3527 WeakPolarHBondContact O-CB 3.4Å; T3523-V3527 WeakPolarHBondContact O-CG2 3.38Å; T3523-V3527 PolarHBondContact O-N 3.13Å |
| 3524 | R | 74.6 | Confident | 69.8 | Low | 103.6 Ų | 103.6 | 49.8 Ų | 49.8 | 39% | 0.391 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.9 | -31 | -179.8 | -73.8 | -180 | 179 | -174.7 | -1.6 | 113 | F3429 N3432 V3433 Q3440 I3520 K3521 L3522 N3528 | F3429-R3524 HydrophobicContact CE2-CB 4.46Å; F3429-R3524 HydrophobicContact CE2-CG 4.34Å; F3429-R3524 HydrophobicContact CZ-CB 4.14Å; F3429-R3524 HydrophobicContact CZ-CG 4.15Å; F3429-R3524 VanDerWaalsContact CZ-O 3.3Å; F3429-R3524 WeakPolarHBondContact CZ-O 3.47Å; N3432-R3524 PolarHBondContact O-NH2 3.2Å; V3433-R3524 HydrophobicContact CB-CG 4.32Å; V3433-R3524 HydrophobicContact CG1-CB 4.43Å; V3433-R3524 HydrophobicContact CG1-CG 3.62Å; V3433-R3524 HydrophobicContact CG2-CG 3.76Å; Q3440-R3524 VanDerWaalsContact CD-NH2 3.33Å; I3520-R3524 VanDerWaalsContact O-CG 3.29Å; I3520-R3524 WeakPolarHBondContact O-CG 3.38Å; I3520-R3524 PolarHBondContact O-N 3.13Å; K3521-R3524 WeakPolarHBondContact O-CB 3.32Å; K3521-R3524 PolarHBondContact O-N 3.21Å; K3521-R3524 VanDerWaalsContact O-N 3.14Å; L3522-R3524 VanDerWaalsContact C-N 3.33Å; L3522-R3524 PolarHBondContact O-N 3.16Å; R3524-N3528 WeakPolarHBondContact O-CB 3.35Å; R3524-N3528 PolarHBondContact O-ND2 3.06Å |
| 3525 | L | 76.3 | Confident | 71.3 | Confident | 109 Ų | 109 | 48.7 Ų | 48.7 | 57% | 0.571 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -81.1 | -58.6 | 177.6 | -80.9 | 167.3 | 0 | 0 | 0 | 111.7 | K3521 L3522 T3523 N3528 R3529 | K3521-L3525 WeakPolarHBondContact O-CG 3.37Å; K3521-L3525 PolarHBondContact O-N 3.21Å; L3522-L3525 PolarHBondContact O-N 3.22Å; L3522-L3525 VanDerWaalsContact O-N 3.14Å; T3523-L3525 VanDerWaalsContact C-N 3.25Å; T3523-L3525 PolarHBondContact O-N 3.03Å; L3525-N3528 PolarHBondContact O-N 3.3Å; L3525-R3529 WeakPolarHBondContact O-CB 3.32Å; L3525-R3529 WeakPolarHBondContact O-CD 3.26Å; L3525-R3529 VanDerWaalsContact O-CG 3.26Å; L3525-R3529 WeakPolarHBondContact O-CG 3.45Å; L3525-R3529 PolarHBondContact O-N 3.12Å; L3525-R3529 VanDerWaalsContact O-N 3.11Å |
| 3526 | E | 78.8 | Confident | 72.4 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 7% | 0.07 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -74.6 | -41 | -170 | -61.7 | -62.6 | 174.7 | 0 | 0 | 112.6 | S3484 N3487 L3488 L3491 L3522 N3528 R3529 L3530 | S3484-E3526 WeakPolarHBondContact CA-OE1 3.48Å; S3484-E3526 WeakPolarHBondContact CB-OE1 3.35Å; N3487-E3526 HydrophobicContact CB-CG 3.89Å; N3487-E3526 PolarHBondContact ND2-OE1 3.22Å; L3488-E3526 HydrophobicContact CD2-CB 4Å; L3488-E3526 HydrophobicContact CG-CB 4.42Å; L3491-E3526 HydrophobicContact CD1-CB 4.19Å; L3491-E3526 HydrophobicContact CD1-CG 4.48Å; L3522-E3526 HydrophobicContact CD2-CG 3.94Å; L3522-E3526 HydrophobicContact CG-CG 4.41Å; L3522-E3526 WeakPolarHBondContact O-CB 3.47Å; L3522-E3526 PolarHBondContact O-N 3.33Å; E3526-N3528 VanDerWaalsContact C-N 3.31Å; E3526-N3528 PolarHBondContact O-N 3.26Å; E3526-R3529 WeakPolarHBondContact O-CB 3.33Å; E3526-R3529 PolarHBondContact O-N 3.12Å; E3526-R3529 IonicContact OE1-NH1 2.85Å; E3526-R3529 PolarHBondContact OE1-NH1 3.03Å; E3526-R3529 IonicContact OE2-NH1 3.52Å; E3526-L3530 WeakPolarHBondContact O-CG 3.39Å; E3526-L3530 PolarHBondContact O-N 3.16Å |
| 3527 | V | 79.1 | Confident | 73.3 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.6 | -36.9 | 179.4 | -176 | 0 | 0 | 0 | 0 | 110.4 | M3425 F3429 L3491 T3523 R3529 L3530 I3531 | M3425-V3527 HydrophobicContact CB-CG1 3.77Å; M3425-V3527 HydrophobicContact CE-CG1 4.37Å; M3425-V3527 HydrophobicContact CG-CG1 3.88Å; M3425-V3527 HydrophobicContact SD-CG1 4.03Å; F3429-V3527 HydrophobicContact CD2-CB 4.19Å; F3429-V3527 HydrophobicContact CD2-CG1 3.97Å; F3429-V3527 HydrophobicContact CE2-CB 3.66Å; F3429-V3527 HydrophobicContact CE2-CG1 3.88Å; F3429-V3527 HydrophobicContact CZ-CB 3.57Å; F3429-V3527 HydrophobicContact CZ-CG1 4.22Å; L3491-V3527 HydrophobicContact CD1-CG2 4.27Å; T3523-V3527 HydrophobicContact CG2-CB 4.44Å; T3523-V3527 HydrophobicContact CG2-CG2 3.94Å; T3523-V3527 VanDerWaalsContact O-CB 3.24Å; T3523-V3527 WeakPolarHBondContact O-CB 3.4Å; T3523-V3527 WeakPolarHBondContact O-CG2 3.38Å; T3523-V3527 PolarHBondContact O-N 3.13Å; V3527-R3529 VanDerWaalsContact C-N 3.33Å; V3527-R3529 PolarHBondContact O-N 3.07Å; V3527-L3530 PolarHBondContact O-N 3.35Å; V3527-I3531 HydrophobicContact CG1-CD1 3.89Å; V3527-I3531 HydrophobicContact CG1-CG1 4.34Å; V3527-I3531 WeakPolarHBondContact O-CD1 3.48Å; V3527-I3531 VanDerWaalsContact O-CG1 3.25Å; V3527-I3531 WeakPolarHBondContact O-CG1 3.3Å; V3527-I3531 PolarHBondContact O-N 3.01Å |
| 3528 | N | 78.7 | Confident | 74.1 | Confident | 75.2 Ų | 75.2 | 48.6 Ų | 48.6 | 40% | 0.402 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.9 | -40.3 | 174.1 | -135.3 | 1.4 | 0 | 0 | 0 | 112 | F3429 R3524 L3525 E3526 L3530 I3531 G3532 | F3429-N3528 WeakPolarHBondContact CD1-OD1 3.46Å; F3429-N3528 HydrophobicContact CD2-CB 4.31Å; F3429-N3528 VanDerWaalsContact CD2-OD1 3.3Å; F3429-N3528 WeakPolarHBondContact CD2-OD1 3.41Å; F3429-N3528 HydrophobicContact CE1-CB 3.9Å; F3429-N3528 WeakPolarHBondContact CE1-OD1 3.35Å; F3429-N3528 HydrophobicContact CE2-CB 3.86Å; F3429-N3528 VanDerWaalsContact CE2-CG 3.43Å; F3429-N3528 VanDerWaalsContact CE2-N 3.3Å; F3429-N3528 WeakPolarHBondContact CE2-ND2 3.23Å; F3429-N3528 WeakPolarHBondContact CE2-OD1 3.42Å; F3429-N3528 WeakPolarHBondContact CG-OD1 3.49Å; F3429-N3528 HydrophobicContact CZ-CB 3.6Å; F3429-N3528 VanDerWaalsContact CZ-CB 3.44Å; F3429-N3528 VanDerWaalsContact CZ-CG 3.4Å; F3429-N3528 WeakPolarHBondContact CZ-ND2 3.36Å; F3429-N3528 WeakPolarHBondContact CZ-OD1 3.24Å; R3524-N3528 WeakPolarHBondContact O-CB 3.35Å; R3524-N3528 PolarHBondContact O-ND2 3.06Å; L3525-N3528 PolarHBondContact O-N 3.3Å; E3526-N3528 VanDerWaalsContact C-N 3.31Å; E3526-N3528 PolarHBondContact O-N 3.26Å; N3528-L3530 VanDerWaalsContact C-N 3.34Å; N3528-I3531 PolarHBondContact O-N 3.29Å; N3528-G3532 PolarHBondContact O-N 3.23Å |
| 3529 | R | 76.8 | Confident | 75 | Confident | 114.8 Ų | 114.8 | 47.7 Ų | 47.7 | 43% | 0.433 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.2 | -46.6 | 174.4 | -117.6 | 173.3 | 173.9 | -173.7 | -3.5 | 111 | F3478 L3525 E3526 V3527 I3531 G3532 F3533 | F3478-R3529 HydrophobicContact CE1-CB 4.11Å; F3478-R3529 HydrophobicContact CE1-CG 4.09Å; F3478-R3529 WeakPolarHBondContact CE1-O 3.48Å; F3478-R3529 HydrophobicContact CE2-CG 3.9Å; F3478-R3529 HydrophobicContact CZ-CB 4.36Å; F3478-R3529 HydrophobicContact CZ-CG 3.77Å; F3478-R3529 VanDerWaalsContact CZ-O 3.28Å; F3478-R3529 WeakPolarHBondContact CZ-O 3.4Å; F3478-R3529 PolarHBondContact O-NH2 3.1Å; L3525-R3529 WeakPolarHBondContact O-CB 3.32Å; L3525-R3529 WeakPolarHBondContact O-CD 3.26Å; L3525-R3529 VanDerWaalsContact O-CG 3.26Å; L3525-R3529 WeakPolarHBondContact O-CG 3.45Å; L3525-R3529 PolarHBondContact O-N 3.12Å; L3525-R3529 VanDerWaalsContact O-N 3.11Å; E3526-R3529 WeakPolarHBondContact O-CB 3.33Å; E3526-R3529 PolarHBondContact O-N 3.12Å; E3526-R3529 IonicContact OE1-NH1 2.85Å; E3526-R3529 PolarHBondContact OE1-NH1 3.03Å; E3526-R3529 IonicContact OE2-NH1 3.52Å; V3527-R3529 VanDerWaalsContact C-N 3.33Å; V3527-R3529 PolarHBondContact O-N 3.07Å; R3529-I3531 PolarHBondContact O-N 3.09Å; R3529-G3532 PolarHBondContact O-N 2.92Å; R3529-F3533 WeakPolarHBondContact O-CB 3.42Å; R3529-F3533 PolarHBondContact O-N 3.2Å |
| 3530 | L | 78.7 | Confident | 75.5 | Confident | 7.8 Ų | 7.8 | 51.1 Ų | 51.1 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.5 | -47.5 | 175.5 | -73.1 | 176.5 | 0 | 0 | 0 | 112.1 | M3425 F3457 F3478 I3479 L3488 E3526 V3527 N3528 F3533 W3534 | M3425-L3530 HydrophobicContact CE-CD1 4Å; M3425-L3530 HydrophobicContact SD-CB 4.27Å; M3425-L3530 HydrophobicContact SD-CD1 4Å; F3457-L3530 HydrophobicContact CD1-CD2 4.5Å; F3457-L3530 HydrophobicContact CD2-CD1 4.32Å; F3478-L3530 HydrophobicContact CE1-CD2 4.15Å; F3478-L3530 HydrophobicContact CZ-CD2 4.35Å; I3479-L3530 HydrophobicContact CD1-CD2 3.94Å; L3488-L3530 HydrophobicContact CD1-CD1 4.22Å; L3488-L3530 HydrophobicContact CD1-CD2 4.49Å; L3488-L3530 HydrophobicContact CD2-CD1 3.68Å; E3526-L3530 WeakPolarHBondContact O-CG 3.39Å; E3526-L3530 PolarHBondContact O-N 3.16Å; V3527-L3530 PolarHBondContact O-N 3.35Å; N3528-L3530 VanDerWaalsContact C-N 3.34Å; L3530-F3533 PolarHBondContact O-N 3.06Å; L3530-W3534 WeakPolarHBondContact O-CB 3.36Å; L3530-W3534 VanDerWaalsContact O-CD1 3.3Å; L3530-W3534 PolarHBondContact O-N 3.06Å |
| 3531 | I | 80 | Confident | 75.9 | Confident | 19.8 Ų | 19.8 | 50.9 Ų | 50.9 | 10% | 0.102 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.7 | -51.9 | 177.7 | -68.5 | 165 | 0 | 0 | 0 | 110.7 | M3425 V3426 F3429 V3527 N3528 R3529 F3533 W3534 K3535 | M3425-I3531 HydrophobicContact CB-CD1 4.06Å; M3425-I3531 HydrophobicContact CB-CG1 3.94Å; V3426-I3531 HydrophobicContact CB-CD1 4.48Å; V3426-I3531 HydrophobicContact CG2-CB 4.43Å; V3426-I3531 HydrophobicContact CG2-CD1 4.09Å; V3426-I3531 HydrophobicContact CG2-CG1 3.97Å; V3426-I3531 HydrophobicContact CG2-CG2 3.61Å; F3429-I3531 HydrophobicContact CB-CD1 3.9Å; F3429-I3531 HydrophobicContact CD2-CD1 3.89Å; F3429-I3531 HydrophobicContact CE2-CD1 3.64Å; F3429-I3531 HydrophobicContact CG-CD1 4.12Å; V3527-I3531 HydrophobicContact CG1-CD1 3.89Å; V3527-I3531 HydrophobicContact CG1-CG1 4.34Å; V3527-I3531 WeakPolarHBondContact O-CD1 3.48Å; V3527-I3531 VanDerWaalsContact O-CG1 3.25Å; V3527-I3531 WeakPolarHBondContact O-CG1 3.3Å; V3527-I3531 PolarHBondContact O-N 3.01Å; N3528-I3531 PolarHBondContact O-N 3.29Å; R3529-I3531 PolarHBondContact O-N 3.09Å; I3531-F3533 VanDerWaalsContact C-N 3.26Å; I3531-F3533 PolarHBondContact O-N 3.13Å; I3531-W3534 PolarHBondContact O-N 2.92Å; I3531-K3535 HydrophobicContact CG2-CB 4.42Å; I3531-K3535 HydrophobicContact CG2-CD 4.44Å; I3531-K3535 WeakPolarHBondContact O-CB 3.4Å; I3531-K3535 PolarHBondContact O-N 3.23Å |
| 3532 | G | 74.6 | Confident | 76.1 | Confident | 49.2 Ų | 49.2 | 45.9 Ų | 45.9 | 51% | 0.507 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.4 | -31.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N3528 R3529 P3536 | N3528-G3532 PolarHBondContact O-N 3.23Å; R3529-G3532 PolarHBondContact O-N 2.92Å; G3532-P3536 WeakPolarHBondContact O-CD 3.33Å |
| 3533 | F | 74.8 | Confident | 76.3 | Confident | 25.2 Ų | 25.2 | 48.4 Ų | 48.4 | 11% | 0.111 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -79.6 | -50.1 | 177.1 | -175.1 | -93.1 | 0 | 0 | 0 | 112.9 | L3465 E3475 F3478 I3479 R3529 L3530 I3531 R3537 | L3465-F3533 HydrophobicContact CD2-CE1 4.24Å; L3465-F3533 HydrophobicContact CD2-CZ 4.36Å; E3475-F3533 HydrophobicContact CB-CE2 4.34Å; F3478-F3533 HydrophobicContact CB-CD1 4.39Å; F3478-F3533 HydrophobicContact CB-CD2 4.12Å; F3478-F3533 HydrophobicContact CB-CE1 4.21Å; F3478-F3533 HydrophobicContact CB-CE2 3.7Å; F3478-F3533 HydrophobicContact CB-CG 4.44Å; F3478-F3533 HydrophobicContact CB-CZ 3.81Å; F3478-F3533 HydrophobicContact CD1-CB 4.04Å; F3478-F3533 AromaticContact CD1-CD1 3.4Å; F3478-F3533 HydrophobicContact CD1-CD1 3.63Å; F3478-F3533 AromaticContact CD1-CD2 3.71Å; F3478-F3533 HydrophobicContact CD1-CD2 3.82Å; F3478-F3533 AromaticContact CD1-CE1 3.67Å; F3478-F3533 HydrophobicContact CD1-CE1 3.67Å; F3478-F3533 AromaticContact CD1-CE2 3.87Å; F3478-F3533 HydrophobicContact CD1-CE2 4.14Å; F3478-F3533 AromaticContact CD1-CG 3.55Å; F3478-F3533 HydrophobicContact CD1-CG 3.55Å; F3478-F3533 VanDerWaalsContact CD1-CG 3.41Å; F3478-F3533 AromaticContact CD1-CZ 3.95Å; F3478-F3533 HydrophobicContact CD1-CZ 4Å; F3478-F3533 HydrophobicContact CD2-CB 3.99Å; F3478-F3533 AromaticContact CD2-CD1 4Å; F3478-F3533 HydrophobicContact CD2-CD1 4Å; F3478-F3533 AromaticContact CD2-CD2 3.28Å; F3478-F3533 HydrophobicContact CD2-CD2 3.28Å; F3478-F3533 HydrophobicContact CD2-CE1 4.38Å; F3478-F3533 AromaticContact CD2-CE2 3.68Å; F3478-F3533 HydrophobicContact CD2-CE2 3.68Å; F3478-F3533 AromaticContact CD2-CG 3.61Å; F3478-F3533 HydrophobicContact CD2-CG 3.78Å; F3478-F3533 HydrophobicContact CD2-CZ 4.22Å; F3478-F3533 HydrophobicContact CE1-CB 3.45Å; F3478-F3533 AromaticContact CE1-CD1 3.53Å; F3478-F3533 HydrophobicContact CE1-CD1 3.8Å; F3478-F3533 VanDerWaalsContact CE1-CD1 3.46Å; F3478-F3533 AromaticContact CE1-CD2 3.89Å; F3478-F3533 HydrophobicContact CE1-CD2 4.04Å; F3478-F3533 HydrophobicContact CE1-CE1 4.26Å; F3478-F3533 AromaticContact CE1-CG 3.5Å; F3478-F3533 HydrophobicContact CE1-CG 3.5Å; F3478-F3533 HydrophobicContact CE2-CB 3.64Å; F3478-F3533 HydrophobicContact CE2-CD1 4.14Å; F3478-F3533 AromaticContact CE2-CD2 3.54Å; F3478-F3533 HydrophobicContact CE2-CD2 3.54Å; F3478-F3533 VanDerWaalsContact CE2-CD2 3.45Å; F3478-F3533 HydrophobicContact CE2-CE2 4.29Å; F3478-F3533 AromaticContact CE2-CG 3.57Å; F3478-F3533 HydrophobicContact CE2-CG 3.73Å; F3478-F3533 HydrophobicContact CG-CB 4.33Å; F3478-F3533 AromaticContact CG-CD1 3.61Å; F3478-F3533 HydrophobicContact CG-CD1 4.04Å; F3478-F3533 AromaticContact CG-CD2 3.45Å; F3478-F3533 HydrophobicContact CG-CD2 3.45Å; F3478-F3533 VanDerWaalsContact CG-CD2 3.47Å; F3478-F3533 AromaticContact CG-CE1 3.69Å; F3478-F3533 HydrophobicContact CG-CE1 4.13Å; F3478-F3533 AromaticContact CG-CE2 3.56Å; F3478-F3533 HydrophobicContact CG-CE2 3.56Å; F3478-F3533 VanDerWaalsContact CG-CE2 3.47Å; F3478-F3533 AromaticContact CG-CG 3.7Å; F3478-F3533 HydrophobicContact CG-CG 3.7Å; F3478-F3533 VanDerWaalsContact CG-CG 3.49Å; F3478-F3533 AromaticContact CG-CZ 3.79Å; F3478-F3533 HydrophobicContact CG-CZ 3.91Å; F3478-F3533 HydrophobicContact CZ-CB 3.24Å; F3478-F3533 VanDerWaalsContact CZ-CB 3.45Å; F3478-F3533 AromaticContact CZ-CD1 3.91Å; F3478-F3533 HydrophobicContact CZ-CD1 4.09Å; F3478-F3533 AromaticContact CZ-CD2 3.81Å; F3478-F3533 HydrophobicContact CZ-CD2 3.92Å; F3478-F3533 AromaticContact CZ-CG 3.61Å; F3478-F3533 HydrophobicContact CZ-CG 3.61Å; F3478-F3533 VanDerWaalsContact CZ-CG 3.47Å; I3479-F3533 HydrophobicContact CD1-CD1 4.12Å; I3479-F3533 HydrophobicContact CD1-CE1 4.05Å; I3479-F3533 HydrophobicContact CD1-CZ 4.39Å; R3529-F3533 WeakPolarHBondContact O-CB 3.42Å; R3529-F3533 PolarHBondContact O-N 3.2Å; L3530-F3533 PolarHBondContact O-N 3.06Å; I3531-F3533 VanDerWaalsContact C-N 3.26Å; I3531-F3533 PolarHBondContact O-N 3.13Å; F3533-R3537 VanDerWaalsContact CD2-NH1 3.33Å; F3533-R3537 VanDerWaalsContact CE2-CZ 3.46Å; F3533-R3537 VanDerWaalsContact CE2-NH2 3.34Å; F3533-R3537 WeakPolarHBondContact O-CD 3.27Å; F3533-R3537 WeakPolarHBondContact O-CG 3.37Å; F3533-R3537 PolarHBondContact O-NH1 3.17Å |
| 3534 | W | 75.7 | Confident | 76.3 | Confident | 10 Ų | 10 | 52.3 Ų | 52.3 | 4% | 0.038 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -85.5 | -39.2 | -169.7 | -75.1 | 112.1 | 0 | 0 | 0 | 114 | I3418 I3422 F3457 L3462 F3464 L3465 I3468 F3478 I3479 L3530 I3531 R3537 L3538 | I3418-W3534 HydrophobicContact CG2-CD2 4.45Å; I3418-W3534 HydrophobicContact CG2-CE3 4.2Å; I3418-W3534 HydrophobicContact CG2-CZ3 4.43Å; I3422-W3534 HydrophobicContact CD1-CB 3.5Å; I3422-W3534 VanDerWaalsContact CD1-CB 3.44Å; I3422-W3534 HydrophobicContact CD1-CG 4.03Å; I3422-W3534 HydrophobicContact CG1-CB 3.68Å; I3422-W3534 HydrophobicContact CG1-CG 4.3Å; F3457-W3534 AromaticContact CD1-NE1 3.83Å; F3457-W3534 AromaticContact CE1-CD1 3.58Å; F3457-W3534 HydrophobicContact CE1-CD2 4.29Å; F3457-W3534 AromaticContact CE1-CE2 3.83Å; F3457-W3534 AromaticContact CE1-CG 3.97Å; F3457-W3534 HydrophobicContact CE1-CG 4.06Å; F3457-W3534 HydrophobicContact CE1-CZ2 4.45Å; F3457-W3534 AromaticContact CE1-NE1 3.54Å; F3457-W3534 AromaticContact CZ-CD1 3.9Å; F3457-W3534 HydrophobicContact CZ-CG 4.4Å; L3462-W3534 HydrophobicContact CD2-CH2 3.97Å; L3462-W3534 HydrophobicContact CD2-CZ2 3.69Å; L3462-W3534 VanDerWaalsContact CD2-CZ2 3.42Å; F3464-W3534 HydrophobicContact CD1-CH2 4.48Å; F3464-W3534 HydrophobicContact CD1-CZ3 4.3Å; F3464-W3534 HydrophobicContact CE1-CZ3 4.33Å; L3465-W3534 HydrophobicContact CB-CH2 3.6Å; L3465-W3534 HydrophobicContact CB-CZ2 4.28Å; L3465-W3534 HydrophobicContact CB-CZ3 3.95Å; L3465-W3534 HydrophobicContact CD1-CD2 4.49Å; L3465-W3534 HydrophobicContact CD1-CE3 4.26Å; L3465-W3534 HydrophobicContact CD1-CH2 3.48Å; L3465-W3534 HydrophobicContact CD1-CZ2 3.7Å; L3465-W3534 HydrophobicContact CD1-CZ3 3.92Å; L3465-W3534 HydrophobicContact CD2-CE3 4.13Å; L3465-W3534 HydrophobicContact CD2-CH2 3.79Å; L3465-W3534 HydrophobicContact CD2-CZ2 4.07Å; L3465-W3534 HydrophobicContact CD2-CZ3 3.81Å; L3465-W3534 HydrophobicContact CG-CH2 3.96Å; L3465-W3534 VanDerWaalsContact CG-CH2 3.42Å; L3465-W3534 HydrophobicContact CG-CZ2 4.25Å; L3465-W3534 HydrophobicContact CG-CZ3 4.05Å; I3468-W3534 HydrophobicContact CD1-CZ3 4.01Å; F3478-W3534 AromaticContact CE1-NE1 3.65Å; I3479-W3534 HydrophobicContact CD1-CZ2 3.83Å; L3530-W3534 WeakPolarHBondContact O-CB 3.36Å; L3530-W3534 VanDerWaalsContact O-CD1 3.3Å; L3530-W3534 PolarHBondContact O-N 3.06Å; I3531-W3534 PolarHBondContact O-N 2.92Å; W3534-R3537 PolarHBondContact O-N 3.13Å; W3534-L3538 HydrophobicContact CB-CD1 4.1Å; W3534-L3538 HydrophobicContact CE3-CD1 4.45Å; W3534-L3538 HydrophobicContact CE3-CG 4.35Å; W3534-L3538 WeakPolarHBondContact O-CB 3.3Å; W3534-L3538 VanDerWaalsContact O-CG 3.3Å; W3534-L3538 WeakPolarHBondContact O-CG 3.38Å; W3534-L3538 PolarHBondContact O-N 3.21Å |
| 3535 | K | 79.5 | Confident | 76.2 | Confident | 85.6 Ų | 85.6 | 49.2 Ų | 49.2 | 37% | 0.372 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -55.7 | -52.1 | -173.3 | -177.2 | -178.8 | -179.7 | -180 | 0 | 112.7 | I3422 V3426 I3531 R3537 L3538 D3539 | I3422-K3535 HydrophobicContact CG2-CB 3.86Å; I3422-K3535 HydrophobicContact CG2-CG 4.35Å; V3426-K3535 HydrophobicContact CG2-CD 4.14Å; I3531-K3535 HydrophobicContact CG2-CB 4.42Å; I3531-K3535 HydrophobicContact CG2-CD 4.44Å; I3531-K3535 WeakPolarHBondContact O-CB 3.4Å; I3531-K3535 PolarHBondContact O-N 3.23Å; K3535-R3537 VanDerWaalsContact C-N 3.28Å; K3535-R3537 PolarHBondContact O-N 3.16Å; K3535-L3538 PolarHBondContact O-N 3.25Å; K3535-D3539 WeakPolarHBondContact CE-OD2 3.46Å; K3535-D3539 WeakPolarHBondContact CG-OD2 3.36Å; K3535-D3539 WeakPolarHBondContact O-CB 3.37Å; K3535-D3539 VanDerWaalsContact O-CG 3.27Å; K3535-D3539 PolarHBondContact O-N 3.07Å |
| 3536 | P | 75.2 | Confident | 75.9 | Confident | 70.4 Ų | 70.4 | 44.5 Ų | 44.5 | 46% | 0.457 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.6 | -33.7 | -178.4 | -20.1 | 33.6 | 0 | 0 | 0 | 113.1 | G3532 L3540 | G3532-P3536 WeakPolarHBondContact O-CD 3.33Å; P3536-L3540 VanDerWaalsContact O-CB 3.26Å; P3536-L3540 WeakPolarHBondContact O-CB 3.22Å; P3536-L3540 PolarHBondContact O-N 3.13Å; P3536-L3540 VanDerWaalsContact O-N 3.11Å |
| 3537 | R | 76.2 | Confident | 75.5 | Confident | 61 Ų | 61 | 46.6 Ų | 46.6 | 23% | 0.23 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.5 | -42.9 | -179.9 | -69.7 | 176.1 | 170.9 | 79.3 | -2.5 | 111.5 | I3468 E3475 F3533 W3534 K3535 L3540 Y3541 | I3468-R3537 HydrophobicContact CG2-CB 4.28Å; E3475-R3537 IonicContact OE2-NH2 3.04Å; E3475-R3537 PolarHBondContact OE2-NH2 3.36Å; F3533-R3537 VanDerWaalsContact CD2-NH1 3.33Å; F3533-R3537 VanDerWaalsContact CE2-CZ 3.46Å; F3533-R3537 VanDerWaalsContact CE2-NH2 3.34Å; F3533-R3537 WeakPolarHBondContact O-CD 3.27Å; F3533-R3537 WeakPolarHBondContact O-CG 3.37Å; F3533-R3537 PolarHBondContact O-NH1 3.17Å; W3534-R3537 PolarHBondContact O-N 3.13Å; K3535-R3537 VanDerWaalsContact C-N 3.28Å; K3535-R3537 PolarHBondContact O-N 3.16Å; R3537-L3540 PolarHBondContact O-N 3.11Å; R3537-Y3541 VanDerWaalsContact O-CB 3.29Å; R3537-Y3541 WeakPolarHBondContact O-CB 3.33Å; R3537-Y3541 PolarHBondContact O-N 3.23Å |
| 3538 | L | 75.5 | Confident | 75.1 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 177.4 | -71 | 171.4 | 0 | 0 | 0 | 112 | V3415 I3418 F3419 I3422 F3464 L3465 I3468 W3534 K3535 L3540 Y3541 S3542 | V3415-L3538 HydrophobicContact CG1-CD2 4.1Å; I3418-L3538 HydrophobicContact CG2-CD1 4.08Å; I3418-L3538 HydrophobicContact CG2-CD2 4.31Å; F3419-L3538 HydrophobicContact CD2-CB 3.69Å; F3419-L3538 HydrophobicContact CD2-CD1 4.31Å; F3419-L3538 HydrophobicContact CD2-CD2 4.43Å; F3419-L3538 HydrophobicContact CD2-CG 4.36Å; F3419-L3538 HydrophobicContact CE2-CB 3.82Å; I3422-L3538 HydrophobicContact CB-CD1 4.33Å; I3422-L3538 HydrophobicContact CG1-CD1 3.77Å; F3464-L3538 HydrophobicContact CE1-CD2 4.5Å; L3465-L3538 HydrophobicContact CD2-CD2 4.39Å; I3468-L3538 HydrophobicContact CD1-CD2 4.32Å; W3534-L3538 HydrophobicContact CB-CD1 4.1Å; W3534-L3538 HydrophobicContact CE3-CD1 4.45Å; W3534-L3538 HydrophobicContact CE3-CG 4.35Å; W3534-L3538 WeakPolarHBondContact O-CB 3.3Å; W3534-L3538 VanDerWaalsContact O-CG 3.3Å; W3534-L3538 WeakPolarHBondContact O-CG 3.38Å; W3534-L3538 PolarHBondContact O-N 3.21Å; K3535-L3538 PolarHBondContact O-N 3.25Å; L3538-L3540 VanDerWaalsContact C-N 3.33Å; L3538-L3540 PolarHBondContact O-N 3.07Å; L3538-Y3541 PolarHBondContact O-N 2.95Å; L3538-S3542 WeakPolarHBondContact O-CB 3.36Å; L3538-S3542 PolarHBondContact O-N 3.14Å |
| 3539 | D | 75.3 | Confident | 74.8 | Confident | 51 Ų | 51 | 46.5 Ų | 46.5 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 174.3 | -72.7 | -24.5 | 0 | 0 | 0 | 110.8 | F3419 K3535 S3542 Q3543 | F3419-D3539 VanDerWaalsContact CZ-OD1 3.28Å; F3419-D3539 WeakPolarHBondContact CZ-OD1 3.35Å; K3535-D3539 WeakPolarHBondContact CE-OD2 3.46Å; K3535-D3539 WeakPolarHBondContact CG-OD2 3.36Å; K3535-D3539 WeakPolarHBondContact O-CB 3.37Å; K3535-D3539 VanDerWaalsContact O-CG 3.27Å; K3535-D3539 PolarHBondContact O-N 3.07Å; D3539-S3542 PolarHBondContact O-N 3.22Å; D3539-Q3543 WeakPolarHBondContact O-CB 3.41Å; D3539-Q3543 VanDerWaalsContact O-CG 3.31Å; D3539-Q3543 WeakPolarHBondContact O-CG 3.4Å; D3539-Q3543 PolarHBondContact O-N 3.23Å |
| 3540 | L | 74.6 | Confident | 74.3 | Confident | 75.6 Ų | 75.6 | 42.7 Ų | 42.7 | 40% | 0.396 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.2 | -39.9 | 176.9 | -171.1 | 118.6 | 0 | 0 | 0 | 112.1 | P3536 R3537 L3538 Q3543 K3544 | P3536-L3540 VanDerWaalsContact O-CB 3.26Å; P3536-L3540 WeakPolarHBondContact O-CB 3.22Å; P3536-L3540 PolarHBondContact O-N 3.13Å; P3536-L3540 VanDerWaalsContact O-N 3.11Å; R3537-L3540 PolarHBondContact O-N 3.11Å; L3538-L3540 VanDerWaalsContact C-N 3.33Å; L3538-L3540 PolarHBondContact O-N 3.07Å; L3540-Q3543 PolarHBondContact O-N 3.07Å; L3540-K3544 HydrophobicContact CD2-CD 3.95Å; L3540-K3544 HydrophobicContact CD2-CG 4.22Å; L3540-K3544 WeakPolarHBondContact O-CB 3.31Å; L3540-K3544 WeakPolarHBondContact O-CG 3.39Å; L3540-K3544 PolarHBondContact O-N 3.33Å |
| 3541 | Y | 75.9 | Confident | 73.7 | Confident | 44.8 Ų | 44.8 | 47.7 Ų | 47.7 | 18% | 0.176 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64 | -45.2 | 175.5 | -178.5 | -100.3 | 0 | 0 | 0 | 111.9 | V3415 I3468 R3537 L3538 Q3543 K3544 Q3545 L3576 | V3415-Y3541 HydrophobicContact CB-CE1 4.42Å; V3415-Y3541 HydrophobicContact CG1-CD1 4.03Å; V3415-Y3541 HydrophobicContact CG1-CE1 3.92Å; V3415-Y3541 HydrophobicContact CG2-CE1 4.27Å; I3468-Y3541 HydrophobicContact CB-CD2 4.38Å; I3468-Y3541 HydrophobicContact CD1-CD1 4.28Å; I3468-Y3541 HydrophobicContact CD1-CD2 4.34Å; I3468-Y3541 HydrophobicContact CD1-CE1 4.31Å; I3468-Y3541 HydrophobicContact CD1-CE2 4.34Å; I3468-Y3541 HydrophobicContact CD1-CG 4.3Å; I3468-Y3541 HydrophobicContact CG1-CD2 4.24Å; I3468-Y3541 HydrophobicContact CG1-CE2 4.17Å; I3468-Y3541 HydrophobicContact CG1-CG 4.42Å; I3468-Y3541 HydrophobicContact CG2-CD2 3.85Å; I3468-Y3541 HydrophobicContact CG2-CE2 4.17Å; I3468-Y3541 HydrophobicContact CG2-CG 3.87Å; R3537-Y3541 VanDerWaalsContact O-CB 3.29Å; R3537-Y3541 WeakPolarHBondContact O-CB 3.33Å; R3537-Y3541 PolarHBondContact O-N 3.23Å; L3538-Y3541 PolarHBondContact O-N 2.95Å; Y3541-Q3543 VanDerWaalsContact C-N 3.32Å; Y3541-Q3543 PolarHBondContact O-N 2.96Å; Y3541-K3544 WeakPolarHBondContact O-CB 3.43Å; Y3541-K3544 PolarHBondContact O-N 3.09Å; Y3541-Q3545 HydrophobicContact CD1-CG 4.17Å; Y3541-Q3545 HydrophobicContact CD2-CG 4.43Å; Y3541-Q3545 HydrophobicContact CE1-CG 3.72Å; Y3541-Q3545 HydrophobicContact CE2-CG 4.2Å; Y3541-Q3545 WeakPolarHBondContact O-CB 3.49Å; Y3541-Q3545 WeakPolarHBondContact O-CG 3.27Å; Y3541-Q3545 PolarHBondContact O-N 3.14Å; Y3541-Q3545 PolarHBondContact OH-NE2 3.03Å; Y3541-Q3545 VanDerWaalsContact OH-NE2 3.1Å; Y3541-L3576 HydrophobicContact CD1-CD1 3.93Å; Y3541-L3576 HydrophobicContact CE1-CD1 3.71Å |
| 3542 | S | 73.9 | Confident | 73.1 | Confident | 0.2 Ų | 0.2 | 49.4 Ų | 49.4 | 0% | 0.001 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57 | -46 | 174.2 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | L3538 D3539 K3544 Q3545 R3546 L3576 S3580 | L3538-S3542 WeakPolarHBondContact O-CB 3.36Å; L3538-S3542 PolarHBondContact O-N 3.14Å; D3539-S3542 PolarHBondContact O-N 3.22Å; S3542-K3544 PolarHBondContact O-N 3.41Å; S3542-Q3545 PolarHBondContact O-N 3.04Å; S3542-R3546 VanDerWaalsContact O-CB 3.26Å; S3542-R3546 WeakPolarHBondContact O-CB 3.33Å; S3542-R3546 PolarHBondContact O-N 3.13Å; S3542-L3576 PolarHBondContact OG-O 3.25Å; S3542-L3576 VanDerWaalsContact OG-O 3.06Å; S3542-S3580 PolarHBondContact OG-OG 3.42Å |
| 3543 | Q | 73.9 | Confident | 72.7 | Confident | 88 Ų | 88 | 47.5 Ų | 47.5 | 41% | 0.411 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.2 | -42.4 | 176.3 | -88 | 178.4 | -3.5 | 0 | 0 | 113.1 | D3539 L3540 Y3541 T3547 | D3539-Q3543 WeakPolarHBondContact O-CB 3.41Å; D3539-Q3543 VanDerWaalsContact O-CG 3.31Å; D3539-Q3543 WeakPolarHBondContact O-CG 3.4Å; D3539-Q3543 PolarHBondContact O-N 3.23Å; L3540-Q3543 PolarHBondContact O-N 3.07Å; Y3541-Q3543 VanDerWaalsContact C-N 3.32Å; Y3541-Q3543 PolarHBondContact O-N 2.96Å; Q3543-T3547 WeakPolarHBondContact O-CB 3.4Å; Q3543-T3547 PolarHBondContact O-N 3.15Å; Q3543-T3547 PolarHBondContact O-OG1 3.2Å |
| 3544 | K | 74.1 | Confident | 72 | Confident | 89.6 Ų | 89.6 | 48.5 Ų | 48.5 | 39% | 0.39 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.1 | -52.2 | 175.3 | -80.4 | -177.5 | 174.9 | -177 | 0 | 110.9 | D3470 L3540 Y3541 S3542 R3546 T3547 I3548 | D3470-K3544 IonicContact OD2-NZ 3.48Å; D3470-K3544 PolarHBondContact OD2-NZ 3.21Å; L3540-K3544 HydrophobicContact CD2-CD 3.95Å; L3540-K3544 HydrophobicContact CD2-CG 4.22Å; L3540-K3544 WeakPolarHBondContact O-CB 3.31Å; L3540-K3544 WeakPolarHBondContact O-CG 3.39Å; L3540-K3544 PolarHBondContact O-N 3.33Å; Y3541-K3544 WeakPolarHBondContact O-CB 3.43Å; Y3541-K3544 PolarHBondContact O-N 3.09Å; S3542-K3544 PolarHBondContact O-N 3.41Å; K3544-R3546 VanDerWaalsContact C-N 3.33Å; K3544-R3546 PolarHBondContact O-N 2.99Å; K3544-T3547 WeakPolarHBondContact O-CB 3.39Å; K3544-T3547 PolarHBondContact O-N 3.29Å; K3544-I3548 WeakPolarHBondContact O-CD1 3.37Å; K3544-I3548 VanDerWaalsContact O-CG1 3.27Å; K3544-I3548 WeakPolarHBondContact O-CG1 3.3Å; K3544-I3548 PolarHBondContact O-N 3.32Å |
| 3545 | Q | 73.2 | Confident | 70.8 | Confident | 38.2 Ų | 38.2 | 51.8 Ų | 51.8 | 18% | 0.179 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.2 | -48.5 | 179.2 | -76.3 | -70.4 | -8.4 | 0 | 0 | 111.7 | Y3541 S3542 T3547 I3548 S3549 L3576 | Y3541-Q3545 HydrophobicContact CD1-CG 4.17Å; Y3541-Q3545 HydrophobicContact CD2-CG 4.43Å; Y3541-Q3545 HydrophobicContact CE1-CG 3.72Å; Y3541-Q3545 HydrophobicContact CE2-CG 4.2Å; Y3541-Q3545 WeakPolarHBondContact O-CB 3.49Å; Y3541-Q3545 WeakPolarHBondContact O-CG 3.27Å; Y3541-Q3545 PolarHBondContact O-N 3.14Å; Y3541-Q3545 PolarHBondContact OH-NE2 3.03Å; Y3541-Q3545 VanDerWaalsContact OH-NE2 3.1Å; S3542-Q3545 PolarHBondContact O-N 3.04Å; Q3545-T3547 VanDerWaalsContact C-N 3.31Å; Q3545-T3547 PolarHBondContact O-N 3.11Å; Q3545-I3548 PolarHBondContact O-N 3.14Å; Q3545-S3549 WeakPolarHBondContact O-CB 3.24Å; Q3545-S3549 PolarHBondContact O-N 3.25Å; Q3545-S3549 PolarHBondContact O-OG 3.13Å; Q3545-S3549 VanDerWaalsContact O-OG 3.12Å; Q3545-L3576 HydrophobicContact CB-CD1 4.11Å; Q3545-L3576 HydrophobicContact CG-CD1 4.08Å |
| 3546 | R | 70.2 | Confident | 69.3 | Low | 9.6 Ų | 9.6 | 49.2 Ų | 49.2 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.6 | -45.4 | 175.8 | -177.4 | -178.5 | -179.9 | -179.1 | 10.7 | 112.2 | S3542 K3544 S3549 I3550 Q3582 L3622 S3624 N3625 | S3542-R3546 VanDerWaalsContact O-CB 3.26Å; S3542-R3546 WeakPolarHBondContact O-CB 3.33Å; S3542-R3546 PolarHBondContact O-N 3.13Å; K3544-R3546 VanDerWaalsContact C-N 3.33Å; K3544-R3546 PolarHBondContact O-N 2.99Å; R3546-S3549 PolarHBondContact O-N 2.96Å; R3546-I3550 HydrophobicContact CG-CD1 3.97Å; R3546-I3550 HydrophobicContact CG-CG1 4.46Å; R3546-I3550 WeakPolarHBondContact O-CD1 3.44Å; R3546-I3550 VanDerWaalsContact O-CG1 3.25Å; R3546-I3550 WeakPolarHBondContact O-CG1 3.28Å; R3546-I3550 PolarHBondContact O-N 3.19Å; R3546-Q3582 VanDerWaalsContact NH1-CB 3.31Å; R3546-Q3582 PolarHBondContact NH1-O 3.26Å; R3546-Q3582 PolarHBondContact NH2-O 3.41Å; R3546-Q3582 VanDerWaalsContact NH2-O 3.15Å; R3546-L3622 PolarHBondContact NE-O 3.09Å; R3546-L3622 PolarHBondContact NH2-O 3.21Å; R3546-S3624 VanDerWaalsContact CZ-CB 3.46Å; R3546-S3624 PolarHBondContact NH1-OG 3.16Å; R3546-S3624 VanDerWaalsContact NH2-N 3.12Å; R3546-S3624 PolarHBondContact NH2-OG 3.22Å; R3546-N3625 PolarHBondContact NH1-OD1 3.12Å |
| 3547 | T | 69.8 | Low | 68 | Low | 59 Ų | 59 | 49.9 Ų | 49.9 | 36% | 0.362 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 179.6 | -56 | 0 | 0 | 0 | 0 | 111.5 | Q3543 K3544 Q3545 S3549 I3550 Q3551 | Q3543-T3547 WeakPolarHBondContact O-CB 3.4Å; Q3543-T3547 PolarHBondContact O-N 3.15Å; Q3543-T3547 PolarHBondContact O-OG1 3.2Å; K3544-T3547 WeakPolarHBondContact O-CB 3.39Å; K3544-T3547 PolarHBondContact O-N 3.29Å; Q3545-T3547 VanDerWaalsContact C-N 3.31Å; Q3545-T3547 PolarHBondContact O-N 3.11Å; T3547-S3549 VanDerWaalsContact C-N 3.31Å; T3547-S3549 PolarHBondContact O-N 3.06Å; T3547-I3550 PolarHBondContact O-N 3.13Å; T3547-Q3551 WeakPolarHBondContact O-CB 3.3Å; T3547-Q3551 VanDerWaalsContact O-CG 3.27Å; T3547-Q3551 WeakPolarHBondContact O-CG 3.4Å; T3547-Q3551 PolarHBondContact O-N 2.97Å |
| 3548 | I | 71.5 | Confident | 66.4 | Low | 72.4 Ų | 72.4 | 55.1 Ų | 55.1 | 37% | 0.371 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 176.5 | -67.6 | 164.6 | 0 | 0 | 0 | 110.2 | K3544 Q3545 I3550 Q3551 K3552 | K3544-I3548 WeakPolarHBondContact O-CD1 3.37Å; K3544-I3548 VanDerWaalsContact O-CG1 3.27Å; K3544-I3548 WeakPolarHBondContact O-CG1 3.3Å; K3544-I3548 PolarHBondContact O-N 3.32Å; Q3545-I3548 PolarHBondContact O-N 3.14Å; I3548-I3550 PolarHBondContact O-N 3.18Å; I3548-Q3551 WeakPolarHBondContact O-CB 3.34Å; I3548-Q3551 PolarHBondContact O-N 3.17Å; I3548-K3552 HydrophobicContact CG2-CD 4.27Å; I3548-K3552 HydrophobicContact CG2-CG 4.36Å; I3548-K3552 WeakPolarHBondContact O-CG 3.24Å; I3548-K3552 PolarHBondContact O-N 3.26Å |
| 3549 | S | 71.1 | Confident | 64.6 | Low | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.014 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 178.9 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | Q3545 R3546 T3547 Q3551 K3552 L3553 A3573 | Q3545-S3549 WeakPolarHBondContact O-CB 3.24Å; Q3545-S3549 PolarHBondContact O-N 3.25Å; Q3545-S3549 PolarHBondContact O-OG 3.13Å; Q3545-S3549 VanDerWaalsContact O-OG 3.12Å; R3546-S3549 PolarHBondContact O-N 2.96Å; T3547-S3549 VanDerWaalsContact C-N 3.31Å; T3547-S3549 PolarHBondContact O-N 3.06Å; S3549-Q3551 VanDerWaalsContact C-N 3.32Å; S3549-Q3551 PolarHBondContact O-N 3.21Å; S3549-K3552 PolarHBondContact O-N 2.95Å; S3549-L3553 VanDerWaalsContact O-CB 3.31Å; S3549-L3553 WeakPolarHBondContact O-CB 3.23Å; S3549-L3553 WeakPolarHBondContact O-CD1 3.39Å; S3549-L3553 WeakPolarHBondContact O-CG 3.33Å; S3549-L3553 PolarHBondContact O-N 3.06Å; S3549-A3573 WeakPolarHBondContact OG-CB 3.24Å |
| 3550 | I | 65.8 | Low | 62.9 | Low | 34.6 Ų | 34.6 | 63.2 Ų | 63.2 | 18% | 0.177 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 174 | -69.1 | 163.1 | 0 | 0 | 0 | 110.6 | R3546 T3547 I3548 L3553 S3554 R3619 L3622 C3623 | R3546-I3550 HydrophobicContact CG-CD1 3.97Å; R3546-I3550 HydrophobicContact CG-CG1 4.46Å; R3546-I3550 WeakPolarHBondContact O-CD1 3.44Å; R3546-I3550 VanDerWaalsContact O-CG1 3.25Å; R3546-I3550 WeakPolarHBondContact O-CG1 3.28Å; R3546-I3550 PolarHBondContact O-N 3.19Å; T3547-I3550 PolarHBondContact O-N 3.13Å; I3548-I3550 PolarHBondContact O-N 3.18Å; I3550-L3553 PolarHBondContact O-N 3.2Å; I3550-S3554 VanDerWaalsContact O-CB 3.31Å; I3550-S3554 WeakPolarHBondContact O-CB 3.35Å; I3550-S3554 PolarHBondContact O-N 3.04Å; I3550-S3554 PolarHBondContact O-OG 2.85Å; I3550-R3619 HydrophobicContact CG2-CG 4.37Å; I3550-L3622 HydrophobicContact CD1-CB 4.13Å; I3550-L3622 VanDerWaalsContact CD1-O 3.27Å; I3550-L3622 WeakPolarHBondContact CD1-O 3.35Å; I3550-L3622 HydrophobicContact CG1-CB 3.93Å; I3550-C3623 VanDerWaalsContact CG2-SG 3.5Å |
| 3551 | Q | 66.2 | Low | 61 | Low | 111.6 Ų | 111.6 | 67.2 Ų | 67.2 | 52% | 0.521 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.1 | -48.4 | 177.5 | -73.4 | 175.6 | -6.3 | 0 | 0 | 111.6 | T3547 I3548 S3549 L3553 S3554 V3555 | T3547-Q3551 WeakPolarHBondContact O-CB 3.3Å; T3547-Q3551 VanDerWaalsContact O-CG 3.27Å; T3547-Q3551 WeakPolarHBondContact O-CG 3.4Å; T3547-Q3551 PolarHBondContact O-N 2.97Å; I3548-Q3551 WeakPolarHBondContact O-CB 3.34Å; I3548-Q3551 PolarHBondContact O-N 3.17Å; S3549-Q3551 VanDerWaalsContact C-N 3.32Å; S3549-Q3551 PolarHBondContact O-N 3.21Å; Q3551-L3553 VanDerWaalsContact C-N 3.32Å; Q3551-L3553 PolarHBondContact O-N 3.18Å; Q3551-S3554 WeakPolarHBondContact CA-OG 3.08Å; Q3551-S3554 WeakPolarHBondContact O-CB 3.49Å; Q3551-S3554 PolarHBondContact O-N 3.06Å; Q3551-S3554 VanDerWaalsContact O-N 3.17Å; Q3551-S3554 PolarHBondContact O-OG 2.97Å; Q3551-V3555 WeakPolarHBondContact O-CG2 3.32Å; Q3551-V3555 PolarHBondContact O-N 2.83Å; Q3551-V3555 VanDerWaalsContact O-N 3.11Å |
| 3552 | K | 68 | Low | 59.4 | Low | 57.2 Ų | 57.2 | 69.8 Ų | 69.8 | 25% | 0.249 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 178.2 | -68.8 | -169 | -175.2 | -171.2 | 0 | 112.4 | I3548 S3549 S3554 V3555 S3556 E3564 M3565 E3569 | I3548-K3552 HydrophobicContact CG2-CD 4.27Å; I3548-K3552 HydrophobicContact CG2-CG 4.36Å; I3548-K3552 WeakPolarHBondContact O-CG 3.24Å; I3548-K3552 PolarHBondContact O-N 3.26Å; S3549-K3552 PolarHBondContact O-N 2.95Å; K3552-S3554 VanDerWaalsContact C-N 3.31Å; K3552-S3554 PolarHBondContact O-N 3.21Å; K3552-V3555 PolarHBondContact O-N 3Å; K3552-S3556 WeakPolarHBondContact O-CB 3.15Å; K3552-S3556 PolarHBondContact O-N 3.11Å; K3552-E3564 WeakPolarHBondContact CD-O 3.41Å; K3552-E3564 WeakPolarHBondContact CE-O 3.35Å; K3552-E3564 PolarHBondContact NZ-O 3.03Å; K3552-M3565 HydrophobicContact CB-CB 4.27Å; K3552-M3565 HydrophobicContact CB-CE 4.41Å; K3552-M3565 HydrophobicContact CB-SD 3.98Å; K3552-M3565 HydrophobicContact CD-CB 3.69Å; K3552-M3565 HydrophobicContact CD-CG 3.98Å; K3552-M3565 HydrophobicContact CD-SD 3.98Å; K3552-M3565 HydrophobicContact CG-SD 4.34Å; K3552-E3569 VanDerWaalsContact NZ-CD 3.33Å; K3552-E3569 IonicContact NZ-OE1 3.38Å; K3552-E3569 PolarHBondContact NZ-OE1 3.37Å; K3552-E3569 IonicContact NZ-OE2 2.96Å; K3552-E3569 PolarHBondContact NZ-OE2 3.12Å |
| 3553 | L | 65.6 | Low | 58.3 | Low | 8.6 Ų | 8.6 | 71.5 Ų | 71.5 | 5% | 0.045 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.4 | -30.6 | 174.6 | -71.6 | 167.7 | 0 | 0 | 0 | 112.6 | S3549 I3550 Q3551 V3555 S3556 T3557 M3565 L3570 K3615 L3618 R3619 L3622 | S3549-L3553 VanDerWaalsContact O-CB 3.31Å; S3549-L3553 WeakPolarHBondContact O-CB 3.23Å; S3549-L3553 WeakPolarHBondContact O-CD1 3.39Å; S3549-L3553 WeakPolarHBondContact O-CG 3.33Å; S3549-L3553 PolarHBondContact O-N 3.06Å; I3550-L3553 PolarHBondContact O-N 3.2Å; Q3551-L3553 VanDerWaalsContact C-N 3.32Å; Q3551-L3553 PolarHBondContact O-N 3.18Å; L3553-V3555 VanDerWaalsContact C-N 3.34Å; L3553-V3555 PolarHBondContact O-N 3.15Å; L3553-S3556 WeakPolarHBondContact CA-OG 3.44Å; L3553-S3556 PolarHBondContact O-N 3.39Å; L3553-S3556 PolarHBondContact O-OG 3.1Å; L3553-T3557 WeakPolarHBondContact O-CG2 3.35Å; L3553-T3557 PolarHBondContact O-N 3.02Å; L3553-T3557 PolarHBondContact O-OG1 3.02Å; L3553-T3557 VanDerWaalsContact O-OG1 3.08Å; L3553-M3565 HydrophobicContact CD1-CE 4.39Å; L3553-M3565 HydrophobicContact CD2-CE 3.91Å; L3553-M3565 HydrophobicContact CG-CE 3.83Å; L3553-L3570 HydrophobicContact CD1-CD1 4.33Å; L3553-K3615 HydrophobicContact CD2-CB 4.25Å; L3553-K3615 HydrophobicContact CD2-CG 4.17Å; L3553-L3618 HydrophobicContact CD1-CB 4.49Å; L3553-L3618 HydrophobicContact CD1-CD2 3.92Å; L3553-L3618 HydrophobicContact CD1-CG 4.23Å; L3553-L3618 HydrophobicContact CD2-CD2 4.39Å; L3553-R3619 HydrophobicContact CB-CB 4.42Å; L3553-L3622 HydrophobicContact CD1-CD1 4.06Å |
| 3554 | S | 60.6 | Low | 57.7 | Low | 46.2 Ų | 46.2 | 74.3 Ų | 74.3 | 32% | 0.323 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -73.2 | -22.3 | -178 | 69 | 0 | 0 | 0 | 0 | 114.4 | I3550 Q3551 K3552 S3556 T3557 E3558 | I3550-S3554 VanDerWaalsContact O-CB 3.31Å; I3550-S3554 WeakPolarHBondContact O-CB 3.35Å; I3550-S3554 PolarHBondContact O-N 3.04Å; I3550-S3554 PolarHBondContact O-OG 2.85Å; Q3551-S3554 WeakPolarHBondContact CA-OG 3.08Å; Q3551-S3554 WeakPolarHBondContact O-CB 3.49Å; Q3551-S3554 PolarHBondContact O-N 3.06Å; Q3551-S3554 VanDerWaalsContact O-N 3.17Å; Q3551-S3554 PolarHBondContact O-OG 2.97Å; K3552-S3554 VanDerWaalsContact C-N 3.31Å; K3552-S3554 PolarHBondContact O-N 3.21Å; S3554-S3556 VanDerWaalsContact C-N 3.35Å; S3554-S3556 PolarHBondContact O-N 2.96Å; S3554-T3557 PolarHBondContact O-N 3.5Å; S3554-T3557 PolarHBondContact O-OG1 2.96Å; S3554-E3558 PolarHBondContact O-N 3.27Å |
| 3555 | V | 51.4 | Low | 57.5 | Low | 79.4 Ų | 79.4 | 70.2 Ų | 70.2 | 48% | 0.481 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -83.5 | 11.7 | -178.9 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | Q3551 K3552 L3553 T3557 E3558 C3559 | Q3551-V3555 WeakPolarHBondContact O-CG2 3.32Å; Q3551-V3555 PolarHBondContact O-N 2.83Å; Q3551-V3555 VanDerWaalsContact O-N 3.11Å; K3552-V3555 PolarHBondContact O-N 3Å; L3553-V3555 VanDerWaalsContact C-N 3.34Å; L3553-V3555 PolarHBondContact O-N 3.15Å; V3555-T3557 VanDerWaalsContact C-N 3.32Å; V3555-T3557 PolarHBondContact O-N 3Å; V3555-E3558 PolarHBondContact O-N 3.39Å; V3555-E3558 VanDerWaalsContact O-N 3.15Å; V3555-C3559 PolarHBondContact O-N 3.05Å |
| 3556 | S | 48 | Very low | 57.5 | Low | 30.2 Ų | 30.2 | 70 Ų | 70 | 21% | 0.211 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -79.2 | 5.9 | 173.6 | 76.5 | 0 | 0 | 0 | 0 | 115.9 | K3552 L3553 S3554 E3558 C3559 | K3552-S3556 WeakPolarHBondContact O-CB 3.15Å; K3552-S3556 PolarHBondContact O-N 3.11Å; L3553-S3556 WeakPolarHBondContact CA-OG 3.44Å; L3553-S3556 PolarHBondContact O-N 3.39Å; L3553-S3556 PolarHBondContact O-OG 3.1Å; S3554-S3556 VanDerWaalsContact C-N 3.35Å; S3554-S3556 PolarHBondContact O-N 2.96Å; S3556-E3558 VanDerWaalsContact C-N 3.29Å; S3556-E3558 PolarHBondContact O-N 3.16Å; S3556-C3559 CarbonylContact O-C 3.59Å; S3556-C3559 WeakPolarHBondContact OG-CB 3.5Å; S3556-C3559 PolarHBondContact OG-N 3.24Å; S3556-C3559 VanDerWaalsContact OG-N 3.12Å; S3556-C3559 PolarHBondContact OG-O 3.26Å |
| 3557 | T | 46.7 | Very low | 57.7 | Low | 85.4 Ų | 85.4 | 69.6 Ų | 69.6 | 52% | 0.524 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -83.1 | -2.6 | 171.8 | 48.3 | 0 | 0 | 0 | 0 | 112.6 | L3553 S3554 V3555 C3559 K3615 E3616 | L3553-T3557 WeakPolarHBondContact O-CG2 3.35Å; L3553-T3557 PolarHBondContact O-N 3.02Å; L3553-T3557 PolarHBondContact O-OG1 3.02Å; L3553-T3557 VanDerWaalsContact O-OG1 3.08Å; S3554-T3557 PolarHBondContact O-N 3.5Å; S3554-T3557 PolarHBondContact O-OG1 2.96Å; V3555-T3557 VanDerWaalsContact C-N 3.32Å; V3555-T3557 PolarHBondContact O-N 3Å; T3557-C3559 PolarHBondContact O-N 3.45Å; T3557-K3615 HydrophobicContact CG2-CB 4.02Å; T3557-E3616 HydrophobicContact CG2-CB 4.33Å |
| 3558 | E | 42.8 | Very low | 58 | Low | 171.4 Ų | 171.4 | 69 Ų | 69 | 80% | 0.801 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -120.2 | -14.3 | 178.6 | -65.3 | -174.3 | 166.8 | 0 | 0 | 116.1 | S3554 V3555 S3556 | S3554-E3558 PolarHBondContact O-N 3.27Å; V3555-E3558 PolarHBondContact O-N 3.39Å; V3555-E3558 VanDerWaalsContact O-N 3.15Å; S3556-E3558 VanDerWaalsContact C-N 3.29Å; S3556-E3558 PolarHBondContact O-N 3.16Å |
| 3559 | C | 38.4 | Very low | 58.1 | Low | 83.2 Ų | 83.2 | 69 Ų | 69 | 56% | 0.562 | 38% | 0.375 | S | S | * | . | trans | -142.5 | 119.5 | 179.1 | -79.8 | 0 | 0 | 0 | 0 | 113.1 | V3555 S3556 T3557 L3561 T3562 | V3555-C3559 PolarHBondContact O-N 3.05Å; S3556-C3559 CarbonylContact O-C 3.59Å; S3556-C3559 WeakPolarHBondContact OG-CB 3.5Å; S3556-C3559 PolarHBondContact OG-N 3.24Å; S3556-C3559 VanDerWaalsContact OG-N 3.12Å; S3556-C3559 PolarHBondContact OG-O 3.26Å; T3557-C3559 PolarHBondContact O-N 3.45Å; C3559-L3561 PolarHBondContact O-N 3.15Å; C3559-L3561 VanDerWaalsContact O-N 3.07Å; C3559-T3562 VanDerWaalsContact CB-OG1 3.3Å; C3559-T3562 WeakPolarHBondContact CB-OG1 3.39Å; C3559-T3562 PolarHBondContact O-N 3.01Å; C3559-T3562 PolarHBondContact O-OG1 2.86Å | ||
| 3560 | D | 39.1 | Very low | 58.5 | Low | 139.4 Ų | 139.4 | 68.9 Ų | 68.9 | 75% | 0.745 | 37% | 0.374 | S | S | * | . | trans | -45.2 | 39.6 | 173.5 | -89.5 | -23.7 | 0 | 0 | 0 | 114.1 | T3562 N3612 | D3560-T3562 PolarHBondContact O-N 3.06Å; D3560-T3562 VanDerWaalsContact O-N 3.1Å; D3560-N3612 PolarHBondContact OD1-ND2 3.09Å; D3560-N3612 PolarHBondContact OD1-OD1 3.36Å; D3560-N3612 VanDerWaalsContact OD1-OD1 3.09Å; D3560-N3612 PolarHBondContact OD2-ND2 2.92Å | ||
| 3561 | L | 35.6 | Very low | 59.2 | Low | 159.4 Ų | 159.4 | 68.2 Ų | 68.2 | 84% | 0.835 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 45 | 178.8 | -78.9 | 161.1 | 0 | 0 | 0 | 112.8 | C3559 A3563 | C3559-L3561 PolarHBondContact O-N 3.15Å; C3559-L3561 VanDerWaalsContact O-N 3.07Å; L3561-A3563 PolarHBondContact O-N 3.18Å; L3561-A3563 VanDerWaalsContact O-N 3.17Å |
| 3562 | T | 41.8 | Very low | 59.7 | Low | 100.2 Ų | 100.2 | 65 Ų | 65 | 62% | 0.615 | 36% | 0.359 | S | S | * | . | trans | -104.4 | 30.1 | 172.3 | 54.4 | 0 | 0 | 0 | 0 | 115.9 | C3559 D3560 E3564 | C3559-T3562 VanDerWaalsContact CB-OG1 3.3Å; C3559-T3562 WeakPolarHBondContact CB-OG1 3.39Å; C3559-T3562 PolarHBondContact O-N 3.01Å; C3559-T3562 PolarHBondContact O-OG1 2.86Å; D3560-T3562 PolarHBondContact O-N 3.06Å; D3560-T3562 VanDerWaalsContact O-N 3.1Å; T3562-E3564 VanDerWaalsContact C-N 3.28Å; T3562-E3564 PolarHBondContact O-N 3.23Å | ||
| 3563 | A | 50.3 | Low | 60.2 | Low | 35.2 Ų | 35.2 | 62.3 Ų | 62.3 | 29% | 0.291 | 35% | 0.347 | S | S | . | . | trans | -78.9 | 77.3 | 168 | 0 | 0 | 0 | 0 | 0 | 110.2 | L3561 M3565 L3607 | L3561-A3563 PolarHBondContact O-N 3.18Å; L3561-A3563 VanDerWaalsContact O-N 3.17Å; A3563-M3565 VanDerWaalsContact C-N 3.27Å; A3563-M3565 PolarHBondContact O-N 3.26Å; A3563-M3565 VanDerWaalsContact O-N 3.12Å; A3563-L3607 WeakPolarHBondContact O-CD2 3.31Å | ||
| 3564 | E | 61.1 | Low | 61 | Low | 148 Ų | 148 | 61.9 Ų | 61.9 | 69% | 0.692 | 35% | 0.345 | S | S | * | . | trans | -68.3 | 75.7 | 173.3 | -67.5 | -178.4 | 169.5 | 0 | 0 | 110.4 | K3552 T3562 | K3552-E3564 WeakPolarHBondContact CD-O 3.41Å; K3552-E3564 WeakPolarHBondContact CE-O 3.35Å; K3552-E3564 PolarHBondContact NZ-O 3.03Å; T3562-E3564 VanDerWaalsContact C-N 3.28Å; T3562-E3564 PolarHBondContact O-N 3.23Å | ||
| 3565 | M | 70 | Confident | 62.1 | Low | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.015 | 34% | 0.336 | C | S | . | . | trans | -123.6 | 125.6 | 167.9 | -165.9 | 162.3 | 74.8 | 0 | 0 | 108.2 | K3552 L3553 A3563 E3569 L3570 I3608 | K3552-M3565 HydrophobicContact CB-CB 4.27Å; K3552-M3565 HydrophobicContact CB-CE 4.41Å; K3552-M3565 HydrophobicContact CB-SD 3.98Å; K3552-M3565 HydrophobicContact CD-CB 3.69Å; K3552-M3565 HydrophobicContact CD-CG 3.98Å; K3552-M3565 HydrophobicContact CD-SD 3.98Å; K3552-M3565 HydrophobicContact CG-SD 4.34Å; L3553-M3565 HydrophobicContact CD1-CE 4.39Å; L3553-M3565 HydrophobicContact CD2-CE 3.91Å; L3553-M3565 HydrophobicContact CG-CE 3.83Å; A3563-M3565 VanDerWaalsContact C-N 3.27Å; A3563-M3565 PolarHBondContact O-N 3.26Å; A3563-M3565 VanDerWaalsContact O-N 3.12Å; M3565-E3569 WeakPolarHBondContact CA-OE2 3.37Å; M3565-E3569 HydrophobicContact CG-CB 3.76Å; M3565-E3569 VanDerWaalsContact CG-OE2 3.3Å; M3565-E3569 WeakPolarHBondContact CG-OE2 3.23Å; M3565-L3570 HydrophobicContact CE-CB 3.85Å; M3565-L3570 HydrophobicContact CE-CD1 3.45Å; M3565-L3570 VanDerWaalsContact CE-CD1 3.42Å; M3565-L3570 HydrophobicContact CE-CD2 4.26Å; M3565-L3570 HydrophobicContact CE-CG 4.02Å; M3565-L3570 HydrophobicContact SD-CB 4.42Å; M3565-L3570 HydrophobicContact SD-CD1 4.42Å; M3565-I3608 HydrophobicContact CB-CD1 3.61Å; M3565-I3608 HydrophobicContact CE-CD1 3.32Å; M3565-I3608 HydrophobicContact CG-CD1 3.8Å; M3565-I3608 WeakPolarHBondContact O-CD1 3.37Å; M3565-I3608 WeakPolarHBondContact O-CG1 3.39Å; M3565-I3608 PolarHBondContact O-N 3.05Å; M3565-I3608 HydrophobicContact SD-CD1 4.37Å | ||
| 3566 | T | 73.1 | Confident | 63.4 | Low | 33.8 Ų | 33.8 | 57.5 Ų | 57.5 | 21% | 0.207 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -82.7 | 159.5 | 177 | 60.5 | 0 | 0 | 0 | 0 | 110.6 | Q3568 E3569 L3570 E3604 E3606 | T3566-Q3568 PolarHBondContact O-N 3.16Å; T3566-E3569 PolarHBondContact O-N 2.97Å; T3566-E3569 VanDerWaalsContact O-N 3.13Å; T3566-E3569 WeakPolarHBondContact OG1-CG 3.4Å; T3566-E3569 PolarHBondContact OG1-N 2.95Å; T3566-E3569 VanDerWaalsContact OG1-N 3.12Å; T3566-L3570 PolarHBondContact O-N 3.14Å; T3566-L3570 VanDerWaalsContact O-N 3.13Å; T3566-E3604 WeakPolarHBondContact CB-O 3.29Å; T3566-E3606 CarbonylContact C-O 3.55Å; T3566-E3606 VanDerWaalsContact CA-O 3.29Å; T3566-E3606 WeakPolarHBondContact CA-O 3.33Å |
| 3567 | N | 74.7 | Confident | 65 | Low | 2.4 Ų | 2.4 | 56.1 Ų | 56.1 | 1% | 0.013 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55 | -36.6 | 173.1 | -73.3 | -21.7 | 0 | 0 | 0 | 112.2 | L3570 S3571 L3599 E3602 C3603 E3604 E3606 I3608 | N3567-L3570 PolarHBondContact O-N 3.27Å; N3567-S3571 VanDerWaalsContact O-CB 3.23Å; N3567-S3571 WeakPolarHBondContact O-CB 3.36Å; N3567-S3571 PolarHBondContact O-N 3.06Å; N3567-L3599 HydrophobicContact CB-CD2 3.85Å; N3567-L3599 VanDerWaalsContact OD1-CD2 3.23Å; N3567-L3599 WeakPolarHBondContact OD1-CD2 3.33Å; N3567-E3602 VanDerWaalsContact CG-OE2 3.26Å; N3567-E3602 VanDerWaalsContact ND2-CB 3.3Å; N3567-E3602 WeakPolarHBondContact ND2-CB 3.4Å; N3567-E3602 PolarHBondContact ND2-OE2 3.12Å; N3567-E3602 PolarHBondContact OD1-OE2 3.15Å; N3567-C3603 PolarHBondContact ND2-O 3.01Å; N3567-C3603 VanDerWaalsContact ND2-O 3.17Å; N3567-E3604 PolarHBondContact N-O 3.46Å; N3567-E3606 PolarHBondContact N-O 3.21Å; N3567-I3608 WeakPolarHBondContact OD1-CA 3.35Å |
| 3568 | Q | 75.7 | Confident | 66.7 | Low | 45.4 Ų | 45.4 | 52 Ų | 52 | 21% | 0.212 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 175.6 | -173.6 | 128.7 | 36.6 | 0 | 0 | 113.5 | S3412 T3566 L3570 S3571 N3572 E3604 | S3412-Q3568 PolarHBondContact OG-NE2 2.92Å; T3566-Q3568 PolarHBondContact O-N 3.16Å; Q3568-L3570 VanDerWaalsContact C-N 3.32Å; Q3568-L3570 PolarHBondContact O-N 3.03Å; Q3568-S3571 PolarHBondContact O-N 3.13Å; Q3568-N3572 PolarHBondContact NE2-OD1 3.31Å; Q3568-N3572 WeakPolarHBondContact O-CB 3.36Å; Q3568-N3572 VanDerWaalsContact O-CG 3.27Å; Q3568-N3572 PolarHBondContact O-N 3.25Å; Q3568-N3572 PolarHBondContact O-ND2 3.08Å; Q3568-E3604 HydrophobicContact CB-CB 4.13Å; Q3568-E3604 VanDerWaalsContact CB-O 3.3Å; Q3568-E3604 WeakPolarHBondContact CB-O 3.42Å; Q3568-E3604 PolarHBondContact N-O 3.34Å; Q3568-E3604 VanDerWaalsContact N-O 3.08Å; Q3568-E3604 VanDerWaalsContact NE2-CD 3.34Å; Q3568-E3604 PolarHBondContact NE2-OE2 3.15Å |
| 3569 | E | 74.4 | Confident | 68.5 | Low | 71.6 Ų | 71.6 | 44 Ų | 44 | 34% | 0.335 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.8 | -42.7 | 175.9 | -76.7 | -178.6 | 175.1 | 0 | 0 | 111.2 | K3552 M3565 T3566 N3572 A3573 | K3552-E3569 VanDerWaalsContact NZ-CD 3.33Å; K3552-E3569 IonicContact NZ-OE1 3.38Å; K3552-E3569 PolarHBondContact NZ-OE1 3.37Å; K3552-E3569 IonicContact NZ-OE2 2.96Å; K3552-E3569 PolarHBondContact NZ-OE2 3.12Å; M3565-E3569 WeakPolarHBondContact CA-OE2 3.37Å; M3565-E3569 HydrophobicContact CG-CB 3.76Å; M3565-E3569 VanDerWaalsContact CG-OE2 3.3Å; M3565-E3569 WeakPolarHBondContact CG-OE2 3.23Å; T3566-E3569 PolarHBondContact O-N 2.97Å; T3566-E3569 VanDerWaalsContact O-N 3.13Å; T3566-E3569 WeakPolarHBondContact OG1-CG 3.4Å; T3566-E3569 PolarHBondContact OG1-N 2.95Å; T3566-E3569 VanDerWaalsContact OG1-N 3.12Å; E3569-N3572 PolarHBondContact O-N 2.95Å; E3569-A3573 WeakPolarHBondContact O-CB 3.35Å; E3569-A3573 PolarHBondContact O-N 3.05Å; E3569-A3573 VanDerWaalsContact O-N 3.13Å |
| 3570 | L | 78.7 | Confident | 70.3 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.1 | -45.7 | 177.9 | -175.3 | 55 | 0 | 0 | 0 | 112.2 | L3553 M3565 T3566 N3567 Q3568 N3572 A3573 I3574 V3595 L3599 I3608 I3610 L3618 | L3553-L3570 HydrophobicContact CD1-CD1 4.33Å; M3565-L3570 HydrophobicContact CE-CB 3.85Å; M3565-L3570 HydrophobicContact CE-CD1 3.45Å; M3565-L3570 VanDerWaalsContact CE-CD1 3.42Å; M3565-L3570 HydrophobicContact CE-CD2 4.26Å; M3565-L3570 HydrophobicContact CE-CG 4.02Å; M3565-L3570 HydrophobicContact SD-CB 4.42Å; M3565-L3570 HydrophobicContact SD-CD1 4.42Å; T3566-L3570 PolarHBondContact O-N 3.14Å; T3566-L3570 VanDerWaalsContact O-N 3.13Å; N3567-L3570 PolarHBondContact O-N 3.27Å; Q3568-L3570 VanDerWaalsContact C-N 3.32Å; Q3568-L3570 PolarHBondContact O-N 3.03Å; L3570-N3572 VanDerWaalsContact C-N 3.34Å; L3570-N3572 PolarHBondContact O-N 3.28Å; L3570-A3573 PolarHBondContact O-N 3.2Å; L3570-I3574 HydrophobicContact CD1-CD1 4.06Å; L3570-I3574 HydrophobicContact CD1-CG1 4.25Å; L3570-I3574 HydrophobicContact CG-CD1 3.93Å; L3570-I3574 HydrophobicContact CG-CG1 4.47Å; L3570-I3574 VanDerWaalsContact O-CG1 3.31Å; L3570-I3574 WeakPolarHBondContact O-CG1 3.28Å; L3570-I3574 PolarHBondContact O-N 2.89Å; L3570-V3595 HydrophobicContact CD2-CG1 4.31Å; L3570-L3599 HydrophobicContact CB-CD1 4.09Å; L3570-L3599 HydrophobicContact CD2-CD1 3.73Å; L3570-L3599 HydrophobicContact CD2-CD2 4.35Å; L3570-L3599 HydrophobicContact CD2-CG 4.42Å; L3570-L3599 HydrophobicContact CG-CD1 3.73Å; L3570-I3608 HydrophobicContact CB-CD1 4.18Å; L3570-I3608 HydrophobicContact CB-CG1 4.42Å; L3570-I3608 HydrophobicContact CD2-CD1 3.83Å; L3570-I3608 HydrophobicContact CD2-CG1 4Å; L3570-I3608 HydrophobicContact CD2-CG2 4.22Å; L3570-I3608 HydrophobicContact CG-CD1 4.44Å; L3570-I3610 HydrophobicContact CD2-CD1 3.67Å; L3570-L3618 HydrophobicContact CD1-CD2 3.61Å; L3570-L3618 HydrophobicContact CD2-CD2 3.95Å; L3570-L3618 HydrophobicContact CG-CD2 4.24Å |
| 3571 | S | 80.9 | Confident | 71.9 | Confident | 20 Ų | 20 | 34.9 Ų | 34.9 | 14% | 0.14 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.5 | -49.1 | 177 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | N3567 Q3568 A3573 I3574 Q3575 L3596 | N3567-S3571 VanDerWaalsContact O-CB 3.23Å; N3567-S3571 WeakPolarHBondContact O-CB 3.36Å; N3567-S3571 PolarHBondContact O-N 3.06Å; Q3568-S3571 PolarHBondContact O-N 3.13Å; S3571-A3573 VanDerWaalsContact C-N 3.34Å; S3571-A3573 PolarHBondContact O-N 3.28Å; S3571-I3574 PolarHBondContact O-N 3.22Å; S3571-Q3575 WeakPolarHBondContact O-CB 3.3Å; S3571-Q3575 VanDerWaalsContact O-CG 3.3Å; S3571-Q3575 WeakPolarHBondContact O-CG 3.33Å; S3571-Q3575 PolarHBondContact O-N 3.25Å; S3571-L3596 VanDerWaalsContact OG-CD1 3.26Å; S3571-L3596 WeakPolarHBondContact OG-CD1 3.19Å |
| 3572 | N | 77 | Confident | 73.5 | Confident | 45.2 Ų | 45.2 | 29.7 Ų | 29.7 | 24% | 0.242 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.9 | -43.5 | 176.9 | -74.5 | -24.4 | 0 | 0 | 0 | 112.4 | Q3568 E3569 L3570 I3574 Q3575 L3576 | Q3568-N3572 PolarHBondContact NE2-OD1 3.31Å; Q3568-N3572 WeakPolarHBondContact O-CB 3.36Å; Q3568-N3572 VanDerWaalsContact O-CG 3.27Å; Q3568-N3572 PolarHBondContact O-N 3.25Å; Q3568-N3572 PolarHBondContact O-ND2 3.08Å; E3569-N3572 PolarHBondContact O-N 2.95Å; L3570-N3572 VanDerWaalsContact C-N 3.34Å; L3570-N3572 PolarHBondContact O-N 3.28Å; N3572-I3574 PolarHBondContact O-N 2.93Å; N3572-Q3575 PolarHBondContact O-N 3.14Å; N3572-L3576 WeakPolarHBondContact O-CB 3.35Å; N3572-L3576 WeakPolarHBondContact O-CD1 3.3Å; N3572-L3576 VanDerWaalsContact O-CG 3.24Å; N3572-L3576 WeakPolarHBondContact O-CG 3.42Å; N3572-L3576 PolarHBondContact O-N 3.18Å |
| 3573 | A | 78 | Confident | 75.1 | Confident | 0.6 Ų | 0.6 | 24.9 Ų | 24.9 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.1 | -38.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S3549 E3569 L3570 S3571 S3577 | S3549-A3573 WeakPolarHBondContact OG-CB 3.24Å; E3569-A3573 WeakPolarHBondContact O-CB 3.35Å; E3569-A3573 PolarHBondContact O-N 3.05Å; E3569-A3573 VanDerWaalsContact O-N 3.13Å; L3570-A3573 PolarHBondContact O-N 3.2Å; S3571-A3573 VanDerWaalsContact C-N 3.34Å; S3571-A3573 PolarHBondContact O-N 3.28Å; A3573-S3577 WeakPolarHBondContact O-CB 3.3Å; A3573-S3577 PolarHBondContact O-N 2.96Å; A3573-S3577 VanDerWaalsContact O-N 3.07Å; A3573-S3577 PolarHBondContact O-OG 3.32Å |
| 3574 | I | 82.8 | Confident | 76 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.3 | -48.8 | 174.7 | -67.1 | 168.5 | 0 | 0 | 0 | 110.3 | L3570 S3571 N3572 L3576 S3577 L3578 C3592 V3595 L3596 L3599 L3618 | L3570-I3574 HydrophobicContact CD1-CD1 4.06Å; L3570-I3574 HydrophobicContact CD1-CG1 4.25Å; L3570-I3574 HydrophobicContact CG-CD1 3.93Å; L3570-I3574 HydrophobicContact CG-CG1 4.47Å; L3570-I3574 VanDerWaalsContact O-CG1 3.31Å; L3570-I3574 WeakPolarHBondContact O-CG1 3.28Å; L3570-I3574 PolarHBondContact O-N 2.89Å; S3571-I3574 PolarHBondContact O-N 3.22Å; N3572-I3574 PolarHBondContact O-N 2.93Å; I3574-L3576 VanDerWaalsContact C-N 3.33Å; I3574-L3576 PolarHBondContact O-N 3.1Å; I3574-S3577 WeakPolarHBondContact O-CB 3.31Å; I3574-S3577 PolarHBondContact O-N 3.31Å; I3574-S3577 VanDerWaalsContact O-N 3.12Å; I3574-L3578 HydrophobicContact CG2-CD1 3.88Å; I3574-L3578 HydrophobicContact CG2-CG 4.35Å; I3574-L3578 WeakPolarHBondContact O-CG 3.35Å; I3574-L3578 PolarHBondContact O-N 3.11Å; I3574-C3592 HydrophobicContact CG2-CB 3.94Å; I3574-C3592 WeakPolarHBondContact CG2-O 3.31Å; I3574-V3595 HydrophobicContact CD1-CB 4.23Å; I3574-V3595 HydrophobicContact CD1-CG1 3.71Å; I3574-L3596 HydrophobicContact CB-CD1 4.37Å; I3574-L3596 HydrophobicContact CG2-CB 4.03Å; I3574-L3596 HydrophobicContact CG2-CD1 4.3Å; I3574-L3596 HydrophobicContact CG2-CD2 4.34Å; I3574-L3596 HydrophobicContact CG2-CG 4.47Å; I3574-L3599 HydrophobicContact CD1-CD1 4.05Å; I3574-L3618 HydrophobicContact CD1-CD1 4.01Å; I3574-L3618 HydrophobicContact CD1-CD2 4.23Å; I3574-L3618 HydrophobicContact CG1-CD1 4.28Å |
| 3575 | Q | 84 | Confident | 76.8 | Confident | 28.2 Ų | 28.2 | 18.9 Ų | 18.9 | 13% | 0.132 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.1 | -46.1 | 178.1 | -73.5 | -178.2 | -14.8 | 0 | 0 | 112 | A3416 S3571 N3572 S3577 L3578 L3579 L3596 A3711 | A3416-Q3575 HydrophobicContact CB-CB 4.27Å; S3571-Q3575 WeakPolarHBondContact O-CB 3.3Å; S3571-Q3575 VanDerWaalsContact O-CG 3.3Å; S3571-Q3575 WeakPolarHBondContact O-CG 3.33Å; S3571-Q3575 PolarHBondContact O-N 3.25Å; N3572-Q3575 PolarHBondContact O-N 3.14Å; Q3575-S3577 VanDerWaalsContact C-N 3.32Å; Q3575-S3577 PolarHBondContact O-N 3.07Å; Q3575-L3578 PolarHBondContact O-N 3.03Å; Q3575-L3579 WeakPolarHBondContact O-CB 3.34Å; Q3575-L3579 VanDerWaalsContact O-CG 3.24Å; Q3575-L3579 WeakPolarHBondContact O-CG 3.44Å; Q3575-L3579 PolarHBondContact O-N 3.03Å; Q3575-L3596 HydrophobicContact CG-CD1 3.85Å; Q3575-L3596 HydrophobicContact CG-CD2 3.89Å; Q3575-L3596 HydrophobicContact CG-CG 4.49Å; Q3575-A3711 WeakPolarHBondContact CG-O 3.24Å; Q3575-A3711 PolarHBondContact NE2-O 3.09Å |
| 3576 | L | 78.3 | Confident | 77.3 | Confident | 5.6 Ų | 5.6 | 18.9 Ų | 18.9 | 3% | 0.029 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.9 | -32.3 | 177.7 | -69.5 | 169.9 | 0 | 0 | 0 | 112.7 | V3415 F3419 Y3541 S3542 Q3545 N3572 I3574 S3580 | V3415-L3576 HydrophobicContact CG1-CD2 3.98Å; F3419-L3576 HydrophobicContact CB-CD2 4.35Å; F3419-L3576 HydrophobicContact CD2-CD2 4.25Å; F3419-L3576 HydrophobicContact CG-CD2 4.36Å; Y3541-L3576 HydrophobicContact CD1-CD1 3.93Å; Y3541-L3576 HydrophobicContact CE1-CD1 3.71Å; S3542-L3576 PolarHBondContact OG-O 3.25Å; S3542-L3576 VanDerWaalsContact OG-O 3.06Å; Q3545-L3576 HydrophobicContact CB-CD1 4.11Å; Q3545-L3576 HydrophobicContact CG-CD1 4.08Å; N3572-L3576 WeakPolarHBondContact O-CB 3.35Å; N3572-L3576 WeakPolarHBondContact O-CD1 3.3Å; N3572-L3576 VanDerWaalsContact O-CG 3.24Å; N3572-L3576 WeakPolarHBondContact O-CG 3.42Å; N3572-L3576 PolarHBondContact O-N 3.18Å; I3574-L3576 VanDerWaalsContact C-N 3.33Å; I3574-L3576 PolarHBondContact O-N 3.1Å; L3576-S3580 VanDerWaalsContact O-CB 3.26Å; L3576-S3580 WeakPolarHBondContact O-CB 3.37Å; L3576-S3580 PolarHBondContact O-N 3.07Å; L3576-S3580 PolarHBondContact O-OG 3.27Å |
| 3577 | S | 80.7 | Confident | 77.6 | Confident | 0.2 Ų | 0.2 | 20 Ų | 20 | 0% | 0.001 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -70 | -41.1 | 175 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | A3573 I3574 Q3575 S3580 G3581 Q3582 | A3573-S3577 WeakPolarHBondContact O-CB 3.3Å; A3573-S3577 PolarHBondContact O-N 2.96Å; A3573-S3577 VanDerWaalsContact O-N 3.07Å; A3573-S3577 PolarHBondContact O-OG 3.32Å; I3574-S3577 WeakPolarHBondContact O-CB 3.31Å; I3574-S3577 PolarHBondContact O-N 3.31Å; I3574-S3577 VanDerWaalsContact O-N 3.12Å; Q3575-S3577 VanDerWaalsContact C-N 3.32Å; Q3575-S3577 PolarHBondContact O-N 3.07Å; S3577-S3580 PolarHBondContact O-N 2.96Å; S3577-S3580 PolarHBondContact O-OG 3.21Å; S3577-S3580 VanDerWaalsContact O-OG 3.14Å; S3577-G3581 PolarHBondContact O-N 3.16Å; S3577-Q3582 PolarHBondContact O-N 3.31Å |
| 3578 | L | 84 | Confident | 77.9 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.3 | -50.2 | 173.3 | -71.4 | 167.6 | 0 | 0 | 0 | 111 | I3574 Q3575 S3580 G3581 L3583 C3592 V3593 L3596 A3673 W3707 A3711 | I3574-L3578 HydrophobicContact CG2-CD1 3.88Å; I3574-L3578 HydrophobicContact CG2-CG 4.35Å; I3574-L3578 WeakPolarHBondContact O-CG 3.35Å; I3574-L3578 PolarHBondContact O-N 3.11Å; Q3575-L3578 PolarHBondContact O-N 3.03Å; L3578-S3580 VanDerWaalsContact C-N 3.31Å; L3578-S3580 PolarHBondContact O-N 3.08Å; L3578-G3581 PolarHBondContact O-N 3.02Å; L3578-G3581 VanDerWaalsContact O-N 3.08Å; L3578-L3583 HydrophobicContact CD2-CD1 3.52Å; L3578-L3583 VanDerWaalsContact CD2-CD1 3.47Å; L3578-L3583 HydrophobicContact CG-CD1 4.18Å; L3578-C3592 HydrophobicContact CD2-CB 4.34Å; L3578-V3593 HydrophobicContact CD1-CG2 4.02Å; L3578-V3593 HydrophobicContact CD2-CG2 3.93Å; L3578-L3596 HydrophobicContact CD1-CD2 3.98Å; L3578-A3673 HydrophobicContact CD2-CB 3.75Å; L3578-W3707 HydrophobicContact CB-CE3 4.43Å; L3578-W3707 HydrophobicContact CD2-CE3 4.03Å; L3578-W3707 HydrophobicContact CD2-CZ3 3.78Å; L3578-W3707 VanDerWaalsContact O-CE3 3.28Å; L3578-A3711 HydrophobicContact CB-CB 3.96Å; L3578-A3711 HydrophobicContact CD1-CB 4.29Å |
| 3579 | L | 79.7 | Confident | 78.3 | Confident | 2.2 Ų | 2.2 | 18.7 Ų | 18.7 | 1% | 0.012 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.9 | -37.3 | -179.6 | -71.7 | 169.9 | 0 | 0 | 0 | 112.6 | A3416 F3419 Q3420 Q3423 Q3575 G3581 I3708 A3711 | A3416-L3579 HydrophobicContact CB-CD1 3.65Å; A3416-L3579 WeakPolarHBondContact O-CD1 3.38Å; F3419-L3579 HydrophobicContact CB-CD1 4.3Å; F3419-L3579 HydrophobicContact CD1-CB 3.71Å; F3419-L3579 HydrophobicContact CD1-CD1 4.37Å; F3419-L3579 HydrophobicContact CD1-CG 4.49Å; F3419-L3579 HydrophobicContact CE1-CB 4Å; F3419-L3579 WeakPolarHBondContact CE1-O 3.31Å; F3419-L3579 HydrophobicContact CG-CB 4.34Å; Q3420-L3579 HydrophobicContact CG-CD1 4.24Å; Q3420-L3579 HydrophobicContact CG-CD2 3.72Å; Q3423-L3579 PolarHBondContact NE2-O 3.12Å; Q3423-L3579 PolarHBondContact OE1-O 3.2Å; Q3575-L3579 WeakPolarHBondContact O-CB 3.34Å; Q3575-L3579 VanDerWaalsContact O-CG 3.24Å; Q3575-L3579 WeakPolarHBondContact O-CG 3.44Å; Q3575-L3579 PolarHBondContact O-N 3.03Å; L3579-G3581 VanDerWaalsContact C-N 3.27Å; L3579-G3581 PolarHBondContact O-N 3.27Å; L3579-I3708 HydrophobicContact CD2-CB 4.3Å; L3579-I3708 HydrophobicContact CD2-CG1 3.95Å; L3579-I3708 HydrophobicContact CD2-CG2 4.25Å; L3579-A3711 HydrophobicContact CD1-CB 4.42Å; L3579-A3711 HydrophobicContact CD2-CB 3.91Å; L3579-A3711 HydrophobicContact CG-CB 3.77Å |
| 3580 | S | 76.2 | Confident | 78.8 | Confident | 23.8 Ų | 23.8 | 16.8 Ų | 16.8 | 17% | 0.166 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -10.5 | 176.5 | 65.9 | 0 | 0 | 0 | 0 | 114 | S3542 L3576 S3577 L3578 Q3582 | S3542-S3580 PolarHBondContact OG-OG 3.42Å; L3576-S3580 VanDerWaalsContact O-CB 3.26Å; L3576-S3580 WeakPolarHBondContact O-CB 3.37Å; L3576-S3580 PolarHBondContact O-N 3.07Å; L3576-S3580 PolarHBondContact O-OG 3.27Å; S3577-S3580 PolarHBondContact O-N 2.96Å; S3577-S3580 PolarHBondContact O-OG 3.21Å; S3577-S3580 VanDerWaalsContact O-OG 3.14Å; L3578-S3580 VanDerWaalsContact C-N 3.31Å; L3578-S3580 PolarHBondContact O-N 3.08Å; S3580-Q3582 VanDerWaalsContact C-N 3.25Å; S3580-Q3582 WeakPolarHBondContact O-CG 3.42Å; S3580-Q3582 PolarHBondContact O-N 2.99Å; S3580-Q3582 WeakPolarHBondContact OG-CB 3.28Å; S3580-Q3582 WeakPolarHBondContact OG-CG 3.35Å |
| 3581 | G | 72.7 | Confident | 78.8 | Confident | 8.6 Ų | 8.6 | 17.7 Ų | 17.7 | 9% | 0.089 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 28.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S3577 L3578 L3579 L3583 Q3680 | S3577-G3581 PolarHBondContact O-N 3.16Å; L3578-G3581 PolarHBondContact O-N 3.02Å; L3578-G3581 VanDerWaalsContact O-N 3.08Å; L3579-G3581 VanDerWaalsContact C-N 3.27Å; L3579-G3581 PolarHBondContact O-N 3.27Å; G3581-L3583 VanDerWaalsContact C-N 3.31Å; G3581-L3583 PolarHBondContact O-N 3.08Å; G3581-Q3680 PolarHBondContact O-NE2 3Å; G3581-Q3680 PolarHBondContact O-OE1 3.22Å |
| 3582 | Q | 70.2 | Confident | 78.9 | Confident | 48.8 Ų | 48.8 | 16.7 Ų | 16.7 | 23% | 0.228 | 9% | 0.086 | C | C | . | . | trans | -94.9 | 18.7 | -175.8 | -62.4 | 179.6 | 3.7 | 0 | 0 | 113.8 | R3546 S3577 S3580 S3624 | R3546-Q3582 VanDerWaalsContact NH1-CB 3.31Å; R3546-Q3582 PolarHBondContact NH1-O 3.26Å; R3546-Q3582 PolarHBondContact NH2-O 3.41Å; R3546-Q3582 VanDerWaalsContact NH2-O 3.15Å; S3577-Q3582 PolarHBondContact O-N 3.31Å; S3580-Q3582 VanDerWaalsContact C-N 3.25Å; S3580-Q3582 WeakPolarHBondContact O-CG 3.42Å; S3580-Q3582 PolarHBondContact O-N 2.99Å; S3580-Q3582 WeakPolarHBondContact OG-CB 3.28Å; S3580-Q3582 WeakPolarHBondContact OG-CG 3.35Å; Q3582-S3624 WeakPolarHBondContact O-CB 3.3Å; Q3582-S3624 PolarHBondContact O-OG 3.42Å | ||
| 3583 | L | 73.7 | Confident | 79.3 | Confident | 0.8 Ų | 0.8 | 14.6 Ų | 14.6 | 0% | 0.004 | 8% | 0.075 | C | C | . | . | trans | -96.1 | 123.1 | 179.5 | -62.8 | 177.3 | 0 | 0 | 0 | 110.8 | L3578 G3581 G3585 A3589 C3592 A3621 L3622 S3677 W3707 | L3578-L3583 HydrophobicContact CD2-CD1 3.52Å; L3578-L3583 VanDerWaalsContact CD2-CD1 3.47Å; L3578-L3583 HydrophobicContact CG-CD1 4.18Å; G3581-L3583 VanDerWaalsContact C-N 3.31Å; G3581-L3583 PolarHBondContact O-N 3.08Å; L3583-G3585 PolarHBondContact O-N 3Å; L3583-A3589 HydrophobicContact CD1-CB 4.39Å; L3583-C3592 HydrophobicContact CD1-CB 3.96Å; L3583-A3621 WeakPolarHBondContact CD2-O 3.42Å; L3583-L3622 HydrophobicContact CD2-CD2 4.4Å; L3583-S3677 PolarHBondContact O-OG 3.13Å; L3583-W3707 HydrophobicContact CB-CH2 4.17Å; L3583-W3707 HydrophobicContact CB-CZ3 4.47Å; L3583-W3707 HydrophobicContact CD1-CZ3 4.23Å | ||
| 3584 | N | 69.9 | Low | 79.5 | Confident | 56.2 Ų | 56.2 | 15.4 Ų | 15.4 | 30% | 0.301 | 8% | 0.079 | S | C | . | . | trans | -82.1 | 110.6 | 180 | -68.5 | 0.7 | 0 | 0 | 0 | 110.6 | S3588 S3624 | N3584-S3588 VanDerWaalsContact O-CB 3.27Å; N3584-S3588 WeakPolarHBondContact O-CB 3.26Å; N3584-S3588 PolarHBondContact O-OG 3.22Å; N3584-S3624 VanDerWaalsContact CG-O 3.22Å; N3584-S3624 PolarHBondContact N-OG 3.37Å; N3584-S3624 PolarHBondContact ND2-O 3.31Å; N3584-S3624 PolarHBondContact OD1-O 3.48Å | ||
| 3585 | G | 77.1 | Confident | 79.4 | Confident | 0.6 Ų | 0.6 | 15.7 Ų | 15.7 | 1% | 0.006 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | 83.6 | 157.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L3583 R3587 S3588 A3589 S3677 N3681 Y3889 | L3583-G3585 PolarHBondContact O-N 3Å; G3585-R3587 VanDerWaalsContact C-N 3.29Å; G3585-R3587 PolarHBondContact O-N 3.11Å; G3585-R3587 VanDerWaalsContact O-N 3.17Å; G3585-S3588 PolarHBondContact O-N 3.03Å; G3585-S3588 VanDerWaalsContact O-N 3.15Å; G3585-A3589 PolarHBondContact O-N 3.18Å; G3585-S3677 VanDerWaalsContact C-OG 3.23Å; G3585-S3677 VanDerWaalsContact CA-OG 3.3Å; G3585-S3677 WeakPolarHBondContact CA-OG 3.33Å; G3585-S3677 PolarHBondContact N-OG 3.16Å; G3585-S3677 VanDerWaalsContact N-OG 3.12Å; G3585-S3677 PolarHBondContact O-OG 3.21Å; G3585-N3681 WeakPolarHBondContact CA-ND2 3.12Å; G3585-N3681 PolarHBondContact N-ND2 3.02Å; G3585-Y3889 WeakPolarHBondContact CA-OH 3.45Å |
| 3586 | P | 82 | Confident | 79.3 | Confident | 2.6 Ų | 2.6 | 14.4 Ų | 14.4 | 2% | 0.017 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.2 | -32.4 | -174.1 | 20.4 | -32.7 | 0 | 0 | 0 | 114 | W3590 A3641 S3642 Y3645 P3674 T3885 | P3586-W3590 WeakPolarHBondContact O-CB 3.32Å; P3586-W3590 PolarHBondContact O-N 3.06Å; P3586-A3641 HydrophobicContact CG-CB 4.17Å; P3586-S3642 WeakPolarHBondContact CD-OG 3.35Å; P3586-Y3645 HydrophobicContact CB-CD1 4.47Å; P3586-Y3645 HydrophobicContact CB-CD2 4.04Å; P3586-Y3645 HydrophobicContact CB-CG 4.03Å; P3586-Y3645 HydrophobicContact CG-CG 4.42Å; P3586-P3674 HydrophobicContact CB-CB 3.88Å; P3586-P3674 WeakPolarHBondContact O-CB 3.22Å; P3586-P3674 WeakPolarHBondContact O-CG 3.17Å; P3586-T3885 HydrophobicContact CB-CG2 4.05Å; P3586-T3885 HydrophobicContact CG-CG2 3.49Å; P3586-T3885 VanDerWaalsContact CG-CG2 3.43Å |
| 3587 | R | 79.6 | Confident | 79.5 | Confident | 56.4 Ų | 56.4 | 17.2 Ų | 17.2 | 21% | 0.213 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68 | -45.2 | -180 | 179.3 | -178.3 | 173.8 | -173.9 | 0.9 | 112.2 | G3585 A3589 W3590 I3591 T3885 Y3889 E3895 F3899 I3902 | G3585-R3587 VanDerWaalsContact C-N 3.29Å; G3585-R3587 PolarHBondContact O-N 3.11Å; G3585-R3587 VanDerWaalsContact O-N 3.17Å; R3587-A3589 VanDerWaalsContact C-N 3.31Å; R3587-A3589 PolarHBondContact O-N 3.33Å; R3587-W3590 WeakPolarHBondContact O-CB 3.22Å; R3587-W3590 PolarHBondContact O-N 3.13Å; R3587-I3591 HydrophobicContact CG-CD1 4.09Å; R3587-I3591 WeakPolarHBondContact O-CG1 3.33Å; R3587-I3591 PolarHBondContact O-N 3.07Å; R3587-T3885 HydrophobicContact CB-CG2 4.49Å; R3587-Y3889 HydrophobicContact CB-CD2 4.06Å; R3587-Y3889 HydrophobicContact CB-CE2 3.58Å; R3587-Y3889 HydrophobicContact CG-CD2 4.46Å; R3587-Y3889 HydrophobicContact CG-CE2 4.48Å; R3587-E3895 IonicContact CZ-OE2 2.69Å; R3587-E3895 IonicContact NH1-OE2 2.73Å; R3587-E3895 PolarHBondContact NH1-OE2 2.75Å; R3587-E3895 IonicContact NH2-OE2 3.31Å; R3587-F3899 PolarHBondContact NH2-O 2.98Å; R3587-I3902 VanDerWaalsContact NH2-CB 3.27Å |
| 3588 | S | 79.2 | Confident | 79.4 | Confident | 21.8 Ų | 21.8 | 20.7 Ų | 20.7 | 15% | 0.152 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.4 | -43.1 | 179.4 | -50.6 | 0 | 0 | 0 | 0 | 110.6 | N3584 G3585 W3590 I3591 C3592 | N3584-S3588 VanDerWaalsContact O-CB 3.27Å; N3584-S3588 WeakPolarHBondContact O-CB 3.26Å; N3584-S3588 PolarHBondContact O-OG 3.22Å; G3585-S3588 PolarHBondContact O-N 3.03Å; G3585-S3588 VanDerWaalsContact O-N 3.15Å; S3588-W3590 VanDerWaalsContact C-N 3.33Å; S3588-W3590 PolarHBondContact O-N 3.17Å; S3588-I3591 PolarHBondContact O-N 3.08Å; S3588-C3592 PolarHBondContact O-N 2.97Å; S3588-C3592 VanDerWaalsContact O-N 3.12Å; S3588-C3592 PolarHBondContact O-SG 3.22Å; S3588-C3592 VanDerWaalsContact O-SG 3.37Å |
| 3589 | A | 84.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.3 | -43.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L3583 G3585 R3587 C3592 V3593 A3673 P3674 W3707 | L3583-A3589 HydrophobicContact CD1-CB 4.39Å; G3585-A3589 PolarHBondContact O-N 3.18Å; R3587-A3589 VanDerWaalsContact C-N 3.31Å; R3587-A3589 PolarHBondContact O-N 3.33Å; A3589-C3592 PolarHBondContact O-N 3.25Å; A3589-V3593 WeakPolarHBondContact O-CG2 3.44Å; A3589-V3593 PolarHBondContact O-N 3.09Å; A3589-V3593 VanDerWaalsContact O-N 3.12Å; A3589-A3673 HydrophobicContact CB-CB 3.84Å; A3589-A3673 WeakPolarHBondContact CB-O 3.31Å; A3589-P3674 HydrophobicContact CB-CG 4.42Å; A3589-W3707 HydrophobicContact CB-CH2 4.17Å; A3589-W3707 HydrophobicContact CB-CZ3 4.21Å |
| 3590 | W | 85.1 | Confident | 78.8 | Confident | 32.2 Ų | 32.2 | 27 Ų | 27 | 12% | 0.122 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.1 | -45.6 | 177.7 | -176.5 | 74.6 | 0 | 0 | 0 | 113.1 | P3586 R3587 S3588 C3592 V3593 N3594 I3670 P3674 I3882 L3903 P3904 C3907 | P3586-W3590 WeakPolarHBondContact O-CB 3.32Å; P3586-W3590 PolarHBondContact O-N 3.06Å; R3587-W3590 WeakPolarHBondContact O-CB 3.22Å; R3587-W3590 PolarHBondContact O-N 3.13Å; S3588-W3590 VanDerWaalsContact C-N 3.33Å; S3588-W3590 PolarHBondContact O-N 3.17Å; W3590-C3592 VanDerWaalsContact C-N 3.29Å; W3590-C3592 PolarHBondContact O-N 3.06Å; W3590-V3593 PolarHBondContact O-N 3.42Å; W3590-N3594 VanDerWaalsContact CE2-ND2 3.34Å; W3590-N3594 VanDerWaalsContact CH2-ND2 3.31Å; W3590-N3594 WeakPolarHBondContact CH2-ND2 3.4Å; W3590-N3594 WeakPolarHBondContact CZ2-ND2 3.38Å; W3590-N3594 PolarHBondContact NE1-OD1 3.23Å; W3590-N3594 PolarHBondContact O-N 3.25Å; W3590-N3594 PolarHBondContact O-OD1 2.89Å; W3590-I3670 VanDerWaalsContact CD1-CG2 3.49Å; W3590-I3670 VanDerWaalsContact NE1-CG2 3.29Å; W3590-P3674 HydrophobicContact CB-CG 3.61Å; W3590-P3674 HydrophobicContact CG-CG 4.3Å; W3590-I3882 HydrophobicContact CB-CD1 3.43Å; W3590-I3882 VanDerWaalsContact CB-CD1 3.43Å; W3590-I3882 HydrophobicContact CB-CG1 4.43Å; W3590-I3882 HydrophobicContact CD2-CB 4.45Å; W3590-I3882 HydrophobicContact CD2-CD1 4.22Å; W3590-I3882 HydrophobicContact CD2-CG1 4.12Å; W3590-I3882 HydrophobicContact CD2-CG2 3.58Å; W3590-I3882 HydrophobicContact CE3-CG2 3.77Å; W3590-I3882 HydrophobicContact CG-CD1 3.71Å; W3590-I3882 HydrophobicContact CG-CG1 3.78Å; W3590-I3882 HydrophobicContact CG-CG2 4.02Å; W3590-I3882 HydrophobicContact CH2-CG2 4.15Å; W3590-I3882 HydrophobicContact CZ2-CD1 4.39Å; W3590-I3882 HydrophobicContact CZ2-CG2 4Å; W3590-I3882 HydrophobicContact CZ3-CG2 4.07Å; W3590-L3903 HydrophobicContact CH2-CD2 4.1Å; W3590-L3903 HydrophobicContact CZ3-CD2 4.02Å; W3590-P3904 HydrophobicContact CH2-CG 3.71Å; W3590-P3904 VanDerWaalsContact CZ3-CD 3.46Å; W3590-P3904 HydrophobicContact CZ3-CG 3.85Å; W3590-C3907 HydrophobicContact CH2-CB 4.23Å; W3590-C3907 WeakPolarHBondContact CH2-SG 3.49Å; W3590-C3907 WeakPolarHBondContact CZ2-SG 3.43Å |
| 3591 | I | 78.7 | Confident | 78.4 | Confident | 17.6 Ų | 17.6 | 32.4 Ų | 32.4 | 9% | 0.09 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58 | -45.6 | 177.4 | -67.8 | 166.2 | 0 | 0 | 0 | 110.1 | R3587 S3588 V3593 N3594 V3595 L3618 A3621 I3902 | R3587-I3591 HydrophobicContact CG-CD1 4.09Å; R3587-I3591 WeakPolarHBondContact O-CG1 3.33Å; R3587-I3591 PolarHBondContact O-N 3.07Å; S3588-I3591 PolarHBondContact O-N 3.08Å; I3591-V3593 PolarHBondContact O-N 3.03Å; I3591-N3594 PolarHBondContact O-N 3.23Å; I3591-V3595 HydrophobicContact CG2-CG2 4.48Å; I3591-V3595 WeakPolarHBondContact O-CG2 3.37Å; I3591-V3595 PolarHBondContact O-N 3.08Å; I3591-V3595 VanDerWaalsContact O-N 3.1Å; I3591-L3618 HydrophobicContact CG2-CD1 4.41Å; I3591-A3621 HydrophobicContact CB-CB 4.26Å; I3591-A3621 HydrophobicContact CG2-CB 4.2Å; I3591-I3902 HydrophobicContact CD1-CG2 4.04Å |
| 3592 | C | 83.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.5 | -46.2 | 178.5 | -72.9 | 0 | 0 | 0 | 0 | 112.5 | I3574 L3578 L3583 S3588 A3589 W3590 V3595 L3596 | I3574-C3592 HydrophobicContact CG2-CB 3.94Å; I3574-C3592 WeakPolarHBondContact CG2-O 3.31Å; L3578-C3592 HydrophobicContact CD2-CB 4.34Å; L3583-C3592 HydrophobicContact CD1-CB 3.96Å; S3588-C3592 PolarHBondContact O-N 2.97Å; S3588-C3592 VanDerWaalsContact O-N 3.12Å; S3588-C3592 PolarHBondContact O-SG 3.22Å; S3588-C3592 VanDerWaalsContact O-SG 3.37Å; A3589-C3592 PolarHBondContact O-N 3.25Å; W3590-C3592 VanDerWaalsContact C-N 3.29Å; W3590-C3592 PolarHBondContact O-N 3.06Å; C3592-V3595 PolarHBondContact O-N 3.01Å; C3592-L3596 WeakPolarHBondContact O-CB 3.37Å; C3592-L3596 PolarHBondContact O-N 3.24Å; C3592-L3596 VanDerWaalsContact O-N 3.13Å |
| 3593 | V | 84.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.1 | -40.6 | -179.2 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | L3578 A3589 W3590 I3591 V3595 L3596 D3597 I3670 A3673 L3713 | L3578-V3593 HydrophobicContact CD1-CG2 4.02Å; L3578-V3593 HydrophobicContact CD2-CG2 3.93Å; A3589-V3593 WeakPolarHBondContact O-CG2 3.44Å; A3589-V3593 PolarHBondContact O-N 3.09Å; A3589-V3593 VanDerWaalsContact O-N 3.12Å; W3590-V3593 PolarHBondContact O-N 3.42Å; I3591-V3593 PolarHBondContact O-N 3.03Å; V3593-V3595 PolarHBondContact O-N 2.88Å; V3593-L3596 WeakPolarHBondContact O-CB 3.42Å; V3593-L3596 PolarHBondContact O-N 3.17Å; V3593-L3596 VanDerWaalsContact O-N 3.16Å; V3593-D3597 WeakPolarHBondContact O-CB 3.35Å; V3593-D3597 PolarHBondContact O-N 3.14Å; V3593-I3670 HydrophobicContact CG1-CG1 4.31Å; V3593-A3673 HydrophobicContact CG2-CB 3.41Å; V3593-A3673 VanDerWaalsContact CG2-CB 3.44Å; V3593-L3713 HydrophobicContact CG1-CD2 3.81Å |
| 3594 | N | 82.2 | Confident | 77.2 | Confident | 18.4 Ų | 18.4 | 41 Ų | 41 | 10% | 0.098 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 177.3 | -79.6 | 5.2 | 0 | 0 | 0 | 112.1 | W3590 I3591 L3596 D3597 E3598 I3670 | W3590-N3594 VanDerWaalsContact CE2-ND2 3.34Å; W3590-N3594 VanDerWaalsContact CH2-ND2 3.31Å; W3590-N3594 WeakPolarHBondContact CH2-ND2 3.4Å; W3590-N3594 WeakPolarHBondContact CZ2-ND2 3.38Å; W3590-N3594 PolarHBondContact NE1-OD1 3.23Å; W3590-N3594 PolarHBondContact O-N 3.25Å; W3590-N3594 PolarHBondContact O-OD1 2.89Å; I3591-N3594 PolarHBondContact O-N 3.23Å; N3594-L3596 VanDerWaalsContact C-N 3.26Å; N3594-L3596 PolarHBondContact O-N 3.25Å; N3594-D3597 WeakPolarHBondContact O-CB 3.26Å; N3594-D3597 PolarHBondContact O-N 3.15Å; N3594-D3597 VanDerWaalsContact O-N 3.16Å; N3594-E3598 WeakPolarHBondContact O-CG 3.39Å; N3594-E3598 PolarHBondContact O-N 3.07Å; N3594-I3670 VanDerWaalsContact OD1-CG2 3.31Å; N3594-I3670 WeakPolarHBondContact OD1-CG2 3.37Å |
| 3595 | V | 80.2 | Confident | 77 | Confident | 5.8 Ų | 5.8 | 45.5 Ų | 45.5 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.8 | -36.8 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | L3570 I3574 I3591 C3592 V3593 D3597 E3598 L3599 I3610 L3618 | L3570-V3595 HydrophobicContact CD2-CG1 4.31Å; I3574-V3595 HydrophobicContact CD1-CB 4.23Å; I3574-V3595 HydrophobicContact CD1-CG1 3.71Å; I3591-V3595 HydrophobicContact CG2-CG2 4.48Å; I3591-V3595 WeakPolarHBondContact O-CG2 3.37Å; I3591-V3595 PolarHBondContact O-N 3.08Å; I3591-V3595 VanDerWaalsContact O-N 3.1Å; C3592-V3595 PolarHBondContact O-N 3.01Å; V3593-V3595 PolarHBondContact O-N 2.88Å; V3595-D3597 VanDerWaalsContact C-N 3.34Å; V3595-D3597 PolarHBondContact O-N 3.22Å; V3595-E3598 PolarHBondContact O-N 3.16Å; V3595-L3599 HydrophobicContact CG1-CD1 3.84Å; V3595-L3599 HydrophobicContact CG1-CG 4.25Å; V3595-L3599 WeakPolarHBondContact O-CB 3.38Å; V3595-L3599 WeakPolarHBondContact O-CD1 3.4Å; V3595-L3599 WeakPolarHBondContact O-CG 3.38Å; V3595-L3599 PolarHBondContact O-N 3.2Å; V3595-I3610 HydrophobicContact CG1-CD1 3.57Å; V3595-I3610 VanDerWaalsContact CG1-CD1 3.46Å; V3595-L3618 HydrophobicContact CB-CD1 4.25Å; V3595-L3618 HydrophobicContact CG1-CD1 4.34Å; V3595-L3618 HydrophobicContact CG1-CD2 4.09Å; V3595-L3618 HydrophobicContact CG2-CD1 4.23Å |
| 3596 | L | 83.6 | Confident | 76.3 | Confident | 1.8 Ų | 1.8 | 50.5 Ų | 50.5 | 1% | 0.009 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.5 | -40.8 | 175.3 | -171.6 | 65.4 | 0 | 0 | 0 | 112.3 | S3571 I3574 Q3575 L3578 C3592 V3593 N3594 L3599 Q3600 A3711 L3713 | S3571-L3596 VanDerWaalsContact OG-CD1 3.26Å; S3571-L3596 WeakPolarHBondContact OG-CD1 3.19Å; I3574-L3596 HydrophobicContact CB-CD1 4.37Å; I3574-L3596 HydrophobicContact CG2-CB 4.03Å; I3574-L3596 HydrophobicContact CG2-CD1 4.3Å; I3574-L3596 HydrophobicContact CG2-CD2 4.34Å; I3574-L3596 HydrophobicContact CG2-CG 4.47Å; Q3575-L3596 HydrophobicContact CG-CD1 3.85Å; Q3575-L3596 HydrophobicContact CG-CD2 3.89Å; Q3575-L3596 HydrophobicContact CG-CG 4.49Å; L3578-L3596 HydrophobicContact CD1-CD2 3.98Å; C3592-L3596 WeakPolarHBondContact O-CB 3.37Å; C3592-L3596 PolarHBondContact O-N 3.24Å; C3592-L3596 VanDerWaalsContact O-N 3.13Å; V3593-L3596 WeakPolarHBondContact O-CB 3.42Å; V3593-L3596 PolarHBondContact O-N 3.17Å; V3593-L3596 VanDerWaalsContact O-N 3.16Å; N3594-L3596 VanDerWaalsContact C-N 3.26Å; N3594-L3596 PolarHBondContact O-N 3.25Å; L3596-L3599 PolarHBondContact O-N 3.07Å; L3596-Q3600 PolarHBondContact O-N 3.1Å; L3596-Q3600 VanDerWaalsContact O-N 3.1Å; L3596-A3711 WeakPolarHBondContact CD2-O 3.38Å; L3596-L3713 HydrophobicContact CB-CD2 4.48Å; L3596-L3713 HydrophobicContact CD2-CD1 4.4Å; L3596-L3713 HydrophobicContact CD2-CD2 4.26Å; L3596-L3713 HydrophobicContact CD2-CG 4.09Å; L3596-L3713 HydrophobicContact CG-CD1 4.01Å; L3596-L3713 HydrophobicContact CG-CD2 4.39Å; L3596-L3713 HydrophobicContact CG-CG 4.22Å |
| 3597 | D | 82.8 | Confident | 75.5 | Confident | 63.2 Ų | 63.2 | 55.5 Ų | 55.5 | 34% | 0.338 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 177 | -166.7 | 46.8 | 0 | 0 | 0 | 111.8 | V3593 N3594 V3595 Q3600 N3601 L3713 | V3593-D3597 WeakPolarHBondContact O-CB 3.35Å; V3593-D3597 PolarHBondContact O-N 3.14Å; N3594-D3597 WeakPolarHBondContact O-CB 3.26Å; N3594-D3597 PolarHBondContact O-N 3.15Å; N3594-D3597 VanDerWaalsContact O-N 3.16Å; V3595-D3597 VanDerWaalsContact C-N 3.34Å; V3595-D3597 PolarHBondContact O-N 3.22Å; D3597-Q3600 PolarHBondContact O-N 3.32Å; D3597-N3601 PolarHBondContact O-ND2 3.17Å; D3597-L3713 HydrophobicContact CB-CD1 4.28Å; D3597-L3713 HydrophobicContact CB-CD2 4.04Å |
| 3598 | E | 77.7 | Confident | 74.8 | Confident | 74 Ų | 74 | 53.9 Ų | 53.9 | 35% | 0.346 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 172.5 | -72.2 | 172.4 | 178.1 | 0 | 0 | 111.2 | N3594 V3595 Q3600 N3601 | N3594-E3598 WeakPolarHBondContact O-CG 3.39Å; N3594-E3598 PolarHBondContact O-N 3.07Å; V3595-E3598 PolarHBondContact O-N 3.16Å; E3598-Q3600 VanDerWaalsContact C-N 3.29Å; E3598-Q3600 PolarHBondContact O-N 3.23Å; E3598-N3601 PolarHBondContact O-N 3.14Å |
| 3599 | L | 76.6 | Confident | 74 | Confident | 8.2 Ų | 8.2 | 56.6 Ų | 56.6 | 4% | 0.043 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.1 | -28.1 | 179.9 | -72.1 | 168.9 | 0 | 0 | 0 | 113.8 | N3567 L3570 I3574 V3595 L3596 N3601 E3602 I3610 | N3567-L3599 HydrophobicContact CB-CD2 3.85Å; N3567-L3599 VanDerWaalsContact OD1-CD2 3.23Å; N3567-L3599 WeakPolarHBondContact OD1-CD2 3.33Å; L3570-L3599 HydrophobicContact CB-CD1 4.09Å; L3570-L3599 HydrophobicContact CD2-CD1 3.73Å; L3570-L3599 HydrophobicContact CD2-CD2 4.35Å; L3570-L3599 HydrophobicContact CD2-CG 4.42Å; L3570-L3599 HydrophobicContact CG-CD1 3.73Å; I3574-L3599 HydrophobicContact CD1-CD1 4.05Å; V3595-L3599 HydrophobicContact CG1-CD1 3.84Å; V3595-L3599 HydrophobicContact CG1-CG 4.25Å; V3595-L3599 WeakPolarHBondContact O-CB 3.38Å; V3595-L3599 WeakPolarHBondContact O-CD1 3.4Å; V3595-L3599 WeakPolarHBondContact O-CG 3.38Å; V3595-L3599 PolarHBondContact O-N 3.2Å; L3596-L3599 PolarHBondContact O-N 3.07Å; L3599-N3601 PolarHBondContact O-N 3.16Å; L3599-E3602 PolarHBondContact O-N 3.17Å; L3599-E3602 VanDerWaalsContact O-N 3.15Å; L3599-I3610 HydrophobicContact CD1-CD1 4.37Å; L3599-I3610 HydrophobicContact CD2-CD1 4.05Å; L3599-I3610 HydrophobicContact CD2-CG1 4.41Å; L3599-I3610 HydrophobicContact CG-CD1 4.34Å |
| 3600 | Q | 74.6 | Confident | 73 | Confident | 126.2 Ų | 126.2 | 57.1 Ų | 57.1 | 59% | 0.59 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64 | -23.5 | 179.3 | -168 | 176.5 | 21.7 | 0 | 0 | 112.4 | L3596 D3597 E3598 E3602 L3713 | L3596-Q3600 PolarHBondContact O-N 3.1Å; L3596-Q3600 VanDerWaalsContact O-N 3.1Å; D3597-Q3600 PolarHBondContact O-N 3.32Å; E3598-Q3600 VanDerWaalsContact C-N 3.29Å; E3598-Q3600 PolarHBondContact O-N 3.23Å; Q3600-E3602 VanDerWaalsContact C-N 3.3Å; Q3600-L3713 HydrophobicContact CB-CD1 4.06Å; Q3600-L3713 HydrophobicContact CG-CD1 4.41Å |
| 3601 | N | 68.1 | Low | 72 | Confident | 138 Ų | 138 | 57.7 Ų | 57.7 | 74% | 0.738 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -4.6 | 179.6 | -63.3 | -59.9 | 0 | 0 | 0 | 113.3 | D3597 E3598 L3599 | D3597-N3601 PolarHBondContact O-ND2 3.17Å; E3598-N3601 PolarHBondContact O-N 3.14Å; L3599-N3601 PolarHBondContact O-N 3.16Å |
| 3602 | E | 66.9 | Low | 71.2 | Confident | 61.2 Ų | 61.2 | 61.4 Ų | 61.4 | 29% | 0.286 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -100.4 | 161 | -178.3 | -60.3 | -150.2 | 157.5 | 0 | 0 | 112.3 | N3567 L3599 Q3600 E3604 S3609 | N3567-E3602 VanDerWaalsContact CG-OE2 3.26Å; N3567-E3602 VanDerWaalsContact ND2-CB 3.3Å; N3567-E3602 WeakPolarHBondContact ND2-CB 3.4Å; N3567-E3602 PolarHBondContact ND2-OE2 3.12Å; N3567-E3602 PolarHBondContact OD1-OE2 3.15Å; L3599-E3602 PolarHBondContact O-N 3.17Å; L3599-E3602 VanDerWaalsContact O-N 3.15Å; Q3600-E3602 VanDerWaalsContact C-N 3.3Å; E3602-E3604 PolarHBondContact O-N 3.29Å; E3602-S3609 VanDerWaalsContact OE1-CB 3.25Å; E3602-S3609 WeakPolarHBondContact OE1-CB 3.4Å; E3602-S3609 PolarHBondContact OE1-OG 3.34Å; E3602-S3609 VanDerWaalsContact OE2-CB 3.31Å; E3602-S3609 WeakPolarHBondContact OE2-CB 3.39Å; E3602-S3609 PolarHBondContact OE2-OG 3.18Å; E3602-S3609 VanDerWaalsContact OE2-OG 3.09Å |
| 3603 | C | 59.8 | Low | 70 | Confident | 72.6 Ų | 72.6 | 64.2 Ų | 64.2 | 49% | 0.491 | 34% | 0.341 | S | S | . | . | trans | -68.4 | 127.9 | 177 | -67.6 | 0 | 0 | 0 | 0 | 110.9 | N3567 H3605 E3606 | N3567-C3603 PolarHBondContact ND2-O 3.01Å; N3567-C3603 VanDerWaalsContact ND2-O 3.17Å; C3603-H3605 VanDerWaalsContact C-N 3.26Å; C3603-H3605 PolarHBondContact O-N 3.22Å; C3603-H3605 VanDerWaalsContact O-N 3.11Å; C3603-E3606 HydrophobicContact CB-CB 4.12Å; C3603-E3606 VanDerWaalsContact CB-CD 3.47Å; C3603-E3606 HydrophobicContact CB-CG 3.65Å; C3603-E3606 WeakPolarHBondContact CB-OE2 3.17Å; C3603-E3606 PolarHBondContact O-N 3.2Å; C3603-E3606 VanDerWaalsContact O-N 3.09Å; C3603-E3606 PolarHBondContact SG-OE1 3.29Å | ||
| 3604 | E | 64.3 | Low | 69 | Low | 103.4 Ų | 103.4 | 65.8 Ų | 65.8 | 48% | 0.483 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -35.5 | -176 | -69 | -173.6 | 175 | 0 | 0 | 114.3 | T3566 N3567 Q3568 E3602 | T3566-E3604 WeakPolarHBondContact CB-O 3.29Å; N3567-E3604 PolarHBondContact N-O 3.46Å; Q3568-E3604 HydrophobicContact CB-CB 4.13Å; Q3568-E3604 VanDerWaalsContact CB-O 3.3Å; Q3568-E3604 WeakPolarHBondContact CB-O 3.42Å; Q3568-E3604 PolarHBondContact N-O 3.34Å; Q3568-E3604 VanDerWaalsContact N-O 3.08Å; Q3568-E3604 VanDerWaalsContact NE2-CD 3.34Å; Q3568-E3604 PolarHBondContact NE2-OE2 3.15Å; E3602-E3604 PolarHBondContact O-N 3.29Å |
| 3605 | H | 64.7 | Low | 68.4 | Low | 150.8 Ų | 150.8 | 66.5 Ų | 66.5 | 70% | 0.698 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 0.4 | -175.8 | -56.7 | -41.2 | 0 | 0 | 0 | 114.1 | C3603 | C3603-H3605 VanDerWaalsContact C-N 3.26Å; C3603-H3605 PolarHBondContact O-N 3.22Å; C3603-H3605 VanDerWaalsContact O-N 3.11Å |
| 3606 | E | 63.5 | Low | 67.5 | Low | 105.4 Ų | 105.4 | 68.9 Ų | 68.9 | 49% | 0.493 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -75.5 | 150.4 | 173.6 | -77.3 | 178.3 | 173.4 | 0 | 0 | 110.9 | T3566 N3567 C3603 | T3566-E3606 CarbonylContact C-O 3.55Å; T3566-E3606 VanDerWaalsContact CA-O 3.29Å; T3566-E3606 WeakPolarHBondContact CA-O 3.33Å; N3567-E3606 PolarHBondContact N-O 3.21Å; C3603-E3606 HydrophobicContact CB-CB 4.12Å; C3603-E3606 VanDerWaalsContact CB-CD 3.47Å; C3603-E3606 HydrophobicContact CB-CG 3.65Å; C3603-E3606 WeakPolarHBondContact CB-OE2 3.17Å; C3603-E3606 PolarHBondContact O-N 3.2Å; C3603-E3606 VanDerWaalsContact O-N 3.09Å; C3603-E3606 PolarHBondContact SG-OE1 3.29Å |
| 3607 | L | 64.6 | Low | 66.7 | Low | 109.4 Ų | 109.4 | 69.1 Ų | 69.1 | 57% | 0.573 | 36% | 0.363 | S | S | * | . | B | Isolated β-bridge | trans | -70 | 145.6 | 171.6 | -67.9 | 171.3 | 0 | 0 | 0 | 109.1 | A3563 S3609 | A3563-L3607 WeakPolarHBondContact O-CD2 3.31Å; L3607-S3609 PolarHBondContact O-N 3.12Å; L3607-S3609 VanDerWaalsContact O-N 3.11Å |
| 3608 | I | 64.7 | Low | 66.2 | Low | 22.8 Ų | 22.8 | 66.1 Ų | 66.1 | 12% | 0.117 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -52 | 115.6 | -173.4 | -59.4 | 159 | 0 | 0 | 0 | 112.3 | M3565 N3567 L3570 I3610 K3615 | M3565-I3608 HydrophobicContact CB-CD1 3.61Å; M3565-I3608 HydrophobicContact CE-CD1 3.32Å; M3565-I3608 HydrophobicContact CG-CD1 3.8Å; M3565-I3608 WeakPolarHBondContact O-CD1 3.37Å; M3565-I3608 WeakPolarHBondContact O-CG1 3.39Å; M3565-I3608 PolarHBondContact O-N 3.05Å; M3565-I3608 HydrophobicContact SD-CD1 4.37Å; N3567-I3608 WeakPolarHBondContact OD1-CA 3.35Å; L3570-I3608 HydrophobicContact CB-CD1 4.18Å; L3570-I3608 HydrophobicContact CB-CG1 4.42Å; L3570-I3608 HydrophobicContact CD2-CD1 3.83Å; L3570-I3608 HydrophobicContact CD2-CG1 4Å; L3570-I3608 HydrophobicContact CD2-CG2 4.22Å; L3570-I3608 HydrophobicContact CG-CD1 4.44Å; I3608-I3610 VanDerWaalsContact C-N 3.33Å; I3608-I3610 HydrophobicContact CG2-CB 3.77Å; I3608-I3610 HydrophobicContact CG2-CD1 3.59Å; I3608-I3610 VanDerWaalsContact CG2-CD1 3.46Å; I3608-I3610 HydrophobicContact CG2-CG1 3.66Å; I3608-I3610 VanDerWaalsContact CG2-CG1 3.46Å; I3608-K3615 VanDerWaalsContact CB-CE 3.5Å; I3608-K3615 PolarHBondContact O-NZ 2.84Å |
| 3609 | S | 62.5 | Low | 65.8 | Low | 76.8 Ų | 76.8 | 64.7 Ų | 64.7 | 54% | 0.537 | 34% | 0.339 | S | S | . | . | trans | -86.5 | -5.9 | -179.5 | 87.2 | 0 | 0 | 0 | 0 | 113.8 | E3602 L3607 | E3602-S3609 VanDerWaalsContact OE1-CB 3.25Å; E3602-S3609 WeakPolarHBondContact OE1-CB 3.4Å; E3602-S3609 PolarHBondContact OE1-OG 3.34Å; E3602-S3609 VanDerWaalsContact OE2-CB 3.31Å; E3602-S3609 WeakPolarHBondContact OE2-CB 3.39Å; E3602-S3609 PolarHBondContact OE2-OG 3.18Å; E3602-S3609 VanDerWaalsContact OE2-OG 3.09Å; L3607-S3609 PolarHBondContact O-N 3.12Å; L3607-S3609 VanDerWaalsContact O-N 3.11Å | ||
| 3610 | I | 64.9 | Low | 65.3 | Low | 11.8 Ų | 11.8 | 69.9 Ų | 69.9 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -62.6 | 144.4 | -176.1 | -52.7 | 164.6 | 0 | 0 | 0 | 111.8 | L3570 V3595 L3599 I3608 E3614 K3615 | L3570-I3610 HydrophobicContact CD2-CD1 3.67Å; V3595-I3610 HydrophobicContact CG1-CD1 3.57Å; V3595-I3610 VanDerWaalsContact CG1-CD1 3.46Å; L3599-I3610 HydrophobicContact CD1-CD1 4.37Å; L3599-I3610 HydrophobicContact CD2-CD1 4.05Å; L3599-I3610 HydrophobicContact CD2-CG1 4.41Å; L3599-I3610 HydrophobicContact CG-CD1 4.34Å; I3608-I3610 VanDerWaalsContact C-N 3.33Å; I3608-I3610 HydrophobicContact CG2-CB 3.77Å; I3608-I3610 HydrophobicContact CG2-CD1 3.59Å; I3608-I3610 VanDerWaalsContact CG2-CD1 3.46Å; I3608-I3610 HydrophobicContact CG2-CG1 3.66Å; I3608-I3610 VanDerWaalsContact CG2-CG1 3.46Å; I3610-E3614 HydrophobicContact CG2-CB 3.28Å; I3610-E3614 VanDerWaalsContact CG2-CB 3.45Å; I3610-E3614 HydrophobicContact CG2-CG 4.22Å; I3610-E3614 WeakPolarHBondContact CG2-OE2 3.42Å; I3610-K3615 HydrophobicContact CB-CG 4.41Å; I3610-K3615 HydrophobicContact CG2-CG 4.31Å; I3610-K3615 VanDerWaalsContact O-CE 3.24Å; I3610-K3615 WeakPolarHBondContact O-CE 3.45Å; I3610-K3615 PolarHBondContact O-NZ 3.38Å |
| 3611 | S | 62.8 | Low | 65.1 | Low | 44 Ų | 44 | 64.1 Ų | 64.1 | 31% | 0.308 | 33% | 0.332 | S | S | . | . | trans | -65.6 | 155.2 | -178.5 | 75.4 | 0 | 0 | 0 | 0 | 113.2 | S3613 E3614 K3615 | S3611-S3613 VanDerWaalsContact C-N 3.27Å; S3611-S3613 PolarHBondContact O-N 3.22Å; S3611-S3613 PolarHBondContact OG-OG 3.06Å; S3611-S3613 VanDerWaalsContact OG-OG 3.11Å; S3611-E3614 VanDerWaalsContact CB-OE2 3.27Å; S3611-E3614 WeakPolarHBondContact CB-OE2 3.44Å; S3611-E3614 PolarHBondContact N-OE2 3.12Å; S3611-E3614 VanDerWaalsContact N-OE2 3.16Å; S3611-E3614 PolarHBondContact O-N 2.95Å; S3611-E3614 VanDerWaalsContact O-N 3.12Å; S3611-E3614 WeakPolarHBondContact OG-CG 3.35Å; S3611-E3614 PolarHBondContact OG-N 3.1Å; S3611-E3614 PolarHBondContact OG-OE2 3.24Å; S3611-K3615 WeakPolarHBondContact O-CG 3.29Å; S3611-K3615 PolarHBondContact O-N 3.28Å | ||
| 3612 | N | 61.8 | Low | 65.1 | Low | 96.2 Ų | 96.2 | 57.6 Ų | 57.6 | 51% | 0.514 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.3 | -33.4 | 180 | -73.3 | -8 | 0 | 0 | 0 | 113.2 | D3560 E3614 K3615 E3616 | D3560-N3612 PolarHBondContact OD1-ND2 3.09Å; D3560-N3612 PolarHBondContact OD1-OD1 3.36Å; D3560-N3612 VanDerWaalsContact OD1-OD1 3.09Å; D3560-N3612 PolarHBondContact OD2-ND2 2.92Å; N3612-E3614 VanDerWaalsContact C-N 3.34Å; N3612-E3614 PolarHBondContact O-N 2.84Å; N3612-K3615 PolarHBondContact O-N 2.94Å; N3612-K3615 PolarHBondContact OD1-NZ 3.06Å; N3612-E3616 WeakPolarHBondContact O-CB 3.4Å; N3612-E3616 PolarHBondContact O-N 3.29Å; N3612-E3616 VanDerWaalsContact O-N 3.11Å |
| 3613 | S | 58.8 | Low | 65 | Low | 57.4 Ų | 57.4 | 56.7 Ų | 56.7 | 40% | 0.401 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 174 | 41.3 | 0 | 0 | 0 | 0 | 112.6 | S3611 S3617 | S3611-S3613 VanDerWaalsContact C-N 3.27Å; S3611-S3613 PolarHBondContact O-N 3.22Å; S3611-S3613 PolarHBondContact OG-OG 3.06Å; S3611-S3613 VanDerWaalsContact OG-OG 3.11Å; S3613-S3617 WeakPolarHBondContact O-CB 3.36Å; S3613-S3617 PolarHBondContact O-N 3.01Å; S3613-S3617 PolarHBondContact O-OG 3Å |
| 3614 | E | 64.9 | Low | 64.6 | Low | 35 Ų | 35 | 54.6 Ų | 54.6 | 16% | 0.164 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.9 | -39.9 | 177.5 | -78.9 | 143.2 | -171.5 | 0 | 0 | 111.2 | I3610 S3611 N3612 E3616 S3617 L3618 P3904 R3905 | I3610-E3614 HydrophobicContact CG2-CB 3.28Å; I3610-E3614 VanDerWaalsContact CG2-CB 3.45Å; I3610-E3614 HydrophobicContact CG2-CG 4.22Å; I3610-E3614 WeakPolarHBondContact CG2-OE2 3.42Å; S3611-E3614 VanDerWaalsContact CB-OE2 3.27Å; S3611-E3614 WeakPolarHBondContact CB-OE2 3.44Å; S3611-E3614 PolarHBondContact N-OE2 3.12Å; S3611-E3614 VanDerWaalsContact N-OE2 3.16Å; S3611-E3614 PolarHBondContact O-N 2.95Å; S3611-E3614 VanDerWaalsContact O-N 3.12Å; S3611-E3614 WeakPolarHBondContact OG-CG 3.35Å; S3611-E3614 PolarHBondContact OG-N 3.1Å; S3611-E3614 PolarHBondContact OG-OE2 3.24Å; N3612-E3614 VanDerWaalsContact C-N 3.34Å; N3612-E3614 PolarHBondContact O-N 2.84Å; E3614-E3616 VanDerWaalsContact C-N 3.32Å; E3614-E3616 PolarHBondContact O-N 3.21Å; E3614-S3617 WeakPolarHBondContact CA-OG 3.32Å; E3614-S3617 CarbonylContact O-C 3.6Å; E3614-S3617 WeakPolarHBondContact O-CB 3.4Å; E3614-S3617 PolarHBondContact O-N 3.09Å; E3614-S3617 PolarHBondContact O-OG 2.96Å; E3614-L3618 VanDerWaalsContact O-CB 3.28Å; E3614-L3618 WeakPolarHBondContact O-CB 3.24Å; E3614-L3618 PolarHBondContact O-N 3.18Å; E3614-P3904 HydrophobicContact CG-CB 4.19Å; E3614-R3905 PolarHBondContact OE1-N 2.88Å |
| 3615 | K | 67.6 | Low | 63.7 | Low | 32.2 Ų | 32.2 | 55.4 Ų | 55.4 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.4 | -46.5 | 172.4 | -73.8 | 174.8 | 178.1 | 162.2 | 0 | 111.9 | L3553 T3557 I3608 I3610 S3611 N3612 L3618 R3619 | L3553-K3615 HydrophobicContact CD2-CB 4.25Å; L3553-K3615 HydrophobicContact CD2-CG 4.17Å; T3557-K3615 HydrophobicContact CG2-CB 4.02Å; I3608-K3615 VanDerWaalsContact CB-CE 3.5Å; I3608-K3615 PolarHBondContact O-NZ 2.84Å; I3610-K3615 HydrophobicContact CB-CG 4.41Å; I3610-K3615 HydrophobicContact CG2-CG 4.31Å; I3610-K3615 VanDerWaalsContact O-CE 3.24Å; I3610-K3615 WeakPolarHBondContact O-CE 3.45Å; I3610-K3615 PolarHBondContact O-NZ 3.38Å; S3611-K3615 WeakPolarHBondContact O-CG 3.29Å; S3611-K3615 PolarHBondContact O-N 3.28Å; N3612-K3615 PolarHBondContact O-N 2.94Å; N3612-K3615 PolarHBondContact OD1-NZ 3.06Å; K3615-L3618 PolarHBondContact O-N 3.18Å; K3615-R3619 WeakPolarHBondContact O-CB 3.4Å; K3615-R3619 PolarHBondContact O-N 3.16Å |
| 3616 | E | 62.8 | Low | 62.5 | Low | 57.2 Ų | 57.2 | 52.9 Ų | 52.9 | 27% | 0.267 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 178 | -173.5 | 79.4 | -166.6 | 0 | 0 | 111.6 | T3557 N3612 E3614 L3618 R3619 Y3620 | T3557-E3616 HydrophobicContact CG2-CB 4.33Å; N3612-E3616 WeakPolarHBondContact O-CB 3.4Å; N3612-E3616 PolarHBondContact O-N 3.29Å; N3612-E3616 VanDerWaalsContact O-N 3.11Å; E3614-E3616 VanDerWaalsContact C-N 3.32Å; E3614-E3616 PolarHBondContact O-N 3.21Å; E3616-L3618 VanDerWaalsContact C-N 3.3Å; E3616-L3618 PolarHBondContact O-N 3.18Å; E3616-R3619 VanDerWaalsContact CD-CZ 3.48Å; E3616-R3619 VanDerWaalsContact CD-NH2 3.32Å; E3616-R3619 WeakPolarHBondContact O-CB 3.3Å; E3616-R3619 PolarHBondContact O-N 3.18Å; E3616-R3619 IonicContact OE1-CZ 3.57Å; E3616-R3619 VanDerWaalsContact OE1-CZ 3.28Å; E3616-R3619 IonicContact OE1-NE 3.42Å; E3616-R3619 IonicContact OE1-NH1 3.03Å; E3616-R3619 PolarHBondContact OE1-NH1 3.16Å; E3616-R3619 IonicContact OE1-NH2 3.13Å; E3616-R3619 PolarHBondContact OE1-NH2 3.07Å; E3616-R3619 IonicContact OE2-CZ 3.75Å; E3616-R3619 IonicContact OE2-NE 3.47Å; E3616-R3619 PolarHBondContact OE2-NE 3.08Å; E3616-R3619 IonicContact OE2-NH1 3.34Å; E3616-R3619 PolarHBondContact OE2-NH1 3.08Å; E3616-R3619 IonicContact OE2-NH2 3.1Å; E3616-R3619 PolarHBondContact OE2-NH2 3.19Å; E3616-R3619 VanDerWaalsContact OE2-NH2 3.09Å; E3616-Y3620 VanDerWaalsContact CD-CE2 3.47Å; E3616-Y3620 HydrophobicContact CG-CD2 4.09Å; E3616-Y3620 HydrophobicContact CG-CE2 3.67Å; E3616-Y3620 WeakPolarHBondContact O-CD2 3.33Å; E3616-Y3620 PolarHBondContact O-N 3.05Å; E3616-Y3620 WeakPolarHBondContact OE1-CE2 3.31Å; E3616-Y3620 VanDerWaalsContact OE1-CZ 3.25Å; E3616-Y3620 PolarHBondContact OE1-OH 3.05Å |
| 3617 | S | 66 | Low | 61.1 | Low | 4.6 Ų | 4.6 | 53.1 Ų | 53.1 | 3% | 0.032 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 175.8 | -13.7 | 0 | 0 | 0 | 0 | 112.6 | S3613 E3614 R3619 Y3620 A3621 I3902 | S3613-S3617 WeakPolarHBondContact O-CB 3.36Å; S3613-S3617 PolarHBondContact O-N 3.01Å; S3613-S3617 PolarHBondContact O-OG 3Å; E3614-S3617 WeakPolarHBondContact CA-OG 3.32Å; E3614-S3617 CarbonylContact O-C 3.6Å; E3614-S3617 WeakPolarHBondContact O-CB 3.4Å; E3614-S3617 PolarHBondContact O-N 3.09Å; E3614-S3617 PolarHBondContact O-OG 2.96Å; S3617-R3619 VanDerWaalsContact C-N 3.34Å; S3617-Y3620 PolarHBondContact O-N 3.06Å; S3617-A3621 WeakPolarHBondContact O-CB 3.35Å; S3617-A3621 PolarHBondContact O-N 3.1Å; S3617-I3902 VanDerWaalsContact CB-O 3.23Å; S3617-I3902 WeakPolarHBondContact CB-O 3.16Å; S3617-I3902 VanDerWaalsContact OG-CD1 3.27Å; S3617-I3902 WeakPolarHBondContact OG-CD1 3.42Å; S3617-I3902 VanDerWaalsContact OG-CG1 3.24Å; S3617-I3902 WeakPolarHBondContact OG-CG1 3.22Å; S3617-I3902 WeakPolarHBondContact OG-CG2 3.38Å |
| 3618 | L | 71.7 | Confident | 59.6 | Low | 0.8 Ų | 0.8 | 52 Ų | 52 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.3 | -39.6 | 177 | -169.1 | 84.9 | 0 | 0 | 0 | 110.9 | L3553 L3570 I3574 I3591 V3595 E3614 K3615 E3616 Y3620 A3621 L3622 | L3553-L3618 HydrophobicContact CD1-CB 4.49Å; L3553-L3618 HydrophobicContact CD1-CD2 3.92Å; L3553-L3618 HydrophobicContact CD1-CG 4.23Å; L3553-L3618 HydrophobicContact CD2-CD2 4.39Å; L3570-L3618 HydrophobicContact CD1-CD2 3.61Å; L3570-L3618 HydrophobicContact CD2-CD2 3.95Å; L3570-L3618 HydrophobicContact CG-CD2 4.24Å; I3574-L3618 HydrophobicContact CD1-CD1 4.01Å; I3574-L3618 HydrophobicContact CD1-CD2 4.23Å; I3574-L3618 HydrophobicContact CG1-CD1 4.28Å; I3591-L3618 HydrophobicContact CG2-CD1 4.41Å; V3595-L3618 HydrophobicContact CB-CD1 4.25Å; V3595-L3618 HydrophobicContact CG1-CD1 4.34Å; V3595-L3618 HydrophobicContact CG1-CD2 4.09Å; V3595-L3618 HydrophobicContact CG2-CD1 4.23Å; E3614-L3618 VanDerWaalsContact O-CB 3.28Å; E3614-L3618 WeakPolarHBondContact O-CB 3.24Å; E3614-L3618 PolarHBondContact O-N 3.18Å; K3615-L3618 PolarHBondContact O-N 3.18Å; E3616-L3618 VanDerWaalsContact C-N 3.3Å; E3616-L3618 PolarHBondContact O-N 3.18Å; L3618-Y3620 VanDerWaalsContact C-N 3.34Å; L3618-Y3620 PolarHBondContact O-N 3.19Å; L3618-A3621 PolarHBondContact O-N 3.12Å; L3618-L3622 HydrophobicContact CD1-CD1 4.28Å; L3618-L3622 HydrophobicContact CD1-CG 4.31Å; L3618-L3622 HydrophobicContact CD2-CD1 3.88Å; L3618-L3622 HydrophobicContact CD2-CD2 4.49Å; L3618-L3622 HydrophobicContact CD2-CG 3.7Å; L3618-L3622 HydrophobicContact CG-CD1 3.99Å; L3618-L3622 HydrophobicContact CG-CG 4.38Å; L3618-L3622 WeakPolarHBondContact O-CB 3.32Å; L3618-L3622 VanDerWaalsContact O-CG 3.31Å; L3618-L3622 WeakPolarHBondContact O-CG 3.39Å; L3618-L3622 PolarHBondContact O-N 3.13Å |
| 3619 | R | 69.4 | Low | 58 | Low | 45.2 Ų | 45.2 | 57.2 Ų | 57.2 | 17% | 0.171 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.7 | -48.3 | 173 | -171.5 | -176.7 | 73.9 | 142.8 | 2.4 | 110.8 | I3550 L3553 K3615 E3616 S3617 L3622 C3623 | I3550-R3619 HydrophobicContact CG2-CG 4.37Å; L3553-R3619 HydrophobicContact CB-CB 4.42Å; K3615-R3619 WeakPolarHBondContact O-CB 3.4Å; K3615-R3619 PolarHBondContact O-N 3.16Å; E3616-R3619 VanDerWaalsContact CD-CZ 3.48Å; E3616-R3619 VanDerWaalsContact CD-NH2 3.32Å; E3616-R3619 WeakPolarHBondContact O-CB 3.3Å; E3616-R3619 PolarHBondContact O-N 3.18Å; E3616-R3619 IonicContact OE1-CZ 3.57Å; E3616-R3619 VanDerWaalsContact OE1-CZ 3.28Å; E3616-R3619 IonicContact OE1-NE 3.42Å; E3616-R3619 IonicContact OE1-NH1 3.03Å; E3616-R3619 PolarHBondContact OE1-NH1 3.16Å; E3616-R3619 IonicContact OE1-NH2 3.13Å; E3616-R3619 PolarHBondContact OE1-NH2 3.07Å; E3616-R3619 IonicContact OE2-CZ 3.75Å; E3616-R3619 IonicContact OE2-NE 3.47Å; E3616-R3619 PolarHBondContact OE2-NE 3.08Å; E3616-R3619 IonicContact OE2-NH1 3.34Å; E3616-R3619 PolarHBondContact OE2-NH1 3.08Å; E3616-R3619 IonicContact OE2-NH2 3.1Å; E3616-R3619 PolarHBondContact OE2-NH2 3.19Å; E3616-R3619 VanDerWaalsContact OE2-NH2 3.09Å; S3617-R3619 VanDerWaalsContact C-N 3.34Å; R3619-L3622 CarbonylContact O-C 3.54Å; R3619-L3622 PolarHBondContact O-N 3.25Å; R3619-C3623 VanDerWaalsContact O-CB 3.31Å; R3619-C3623 WeakPolarHBondContact O-CB 3.36Å; R3619-C3623 PolarHBondContact O-N 3.26Å; R3619-C3623 PolarHBondContact O-SG 3.05Å |
| 3620 | Y | 66.7 | Low | 56.6 | Low | 117.6 Ų | 117.6 | 57.4 Ų | 57.4 | 46% | 0.461 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 175.6 | -75.6 | -64.9 | 0 | 0 | 0 | 112.7 | E3616 S3617 L3618 L3622 C3623 V3627 I3902 | E3616-Y3620 VanDerWaalsContact CD-CE2 3.47Å; E3616-Y3620 HydrophobicContact CG-CD2 4.09Å; E3616-Y3620 HydrophobicContact CG-CE2 3.67Å; E3616-Y3620 WeakPolarHBondContact O-CD2 3.33Å; E3616-Y3620 PolarHBondContact O-N 3.05Å; E3616-Y3620 WeakPolarHBondContact OE1-CE2 3.31Å; E3616-Y3620 VanDerWaalsContact OE1-CZ 3.25Å; E3616-Y3620 PolarHBondContact OE1-OH 3.05Å; S3617-Y3620 PolarHBondContact O-N 3.06Å; L3618-Y3620 VanDerWaalsContact C-N 3.34Å; L3618-Y3620 PolarHBondContact O-N 3.19Å; Y3620-L3622 VanDerWaalsContact C-N 3.3Å; Y3620-L3622 PolarHBondContact O-N 2.96Å; Y3620-C3623 PolarHBondContact O-N 3.18Å; Y3620-V3627 HydrophobicContact CD1-CG2 4.43Å; Y3620-V3627 HydrophobicContact CE1-CG2 4.1Å; Y3620-I3902 HydrophobicContact CD2-CD1 4.41Å; Y3620-I3902 HydrophobicContact CD2-CG2 4.4Å; Y3620-I3902 HydrophobicContact CE2-CD1 4.4Å |
| 3621 | A | 69.8 | Low | 55.1 | Low | 4 Ų | 4 | 60.2 Ų | 60.2 | 3% | 0.033 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | L3583 I3591 S3617 L3618 S3624 | L3583-A3621 WeakPolarHBondContact CD2-O 3.42Å; I3591-A3621 HydrophobicContact CB-CB 4.26Å; I3591-A3621 HydrophobicContact CG2-CB 4.2Å; S3617-A3621 WeakPolarHBondContact O-CB 3.35Å; S3617-A3621 PolarHBondContact O-N 3.1Å; L3618-A3621 PolarHBondContact O-N 3.12Å; A3621-S3624 PolarHBondContact O-OG 2.85Å |
| 3622 | L | 68.3 | Low | 54 | Low | 0.6 Ų | 0.6 | 67.4 Ų | 67.4 | 0% | 0.003 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -79.9 | -17.3 | 177.5 | -67.8 | 176.1 | 0 | 0 | 0 | 113.2 | R3546 I3550 L3553 L3583 L3618 R3619 Y3620 S3624 | R3546-L3622 PolarHBondContact NE-O 3.09Å; R3546-L3622 PolarHBondContact NH2-O 3.21Å; I3550-L3622 HydrophobicContact CD1-CB 4.13Å; I3550-L3622 VanDerWaalsContact CD1-O 3.27Å; I3550-L3622 WeakPolarHBondContact CD1-O 3.35Å; I3550-L3622 HydrophobicContact CG1-CB 3.93Å; L3553-L3622 HydrophobicContact CD1-CD1 4.06Å; L3583-L3622 HydrophobicContact CD2-CD2 4.4Å; L3618-L3622 HydrophobicContact CD1-CD1 4.28Å; L3618-L3622 HydrophobicContact CD1-CG 4.31Å; L3618-L3622 HydrophobicContact CD2-CD1 3.88Å; L3618-L3622 HydrophobicContact CD2-CD2 4.49Å; L3618-L3622 HydrophobicContact CD2-CG 3.7Å; L3618-L3622 HydrophobicContact CG-CD1 3.99Å; L3618-L3622 HydrophobicContact CG-CG 4.38Å; L3618-L3622 WeakPolarHBondContact O-CB 3.32Å; L3618-L3622 VanDerWaalsContact O-CG 3.31Å; L3618-L3622 WeakPolarHBondContact O-CG 3.39Å; L3618-L3622 PolarHBondContact O-N 3.13Å; R3619-L3622 CarbonylContact O-C 3.54Å; R3619-L3622 PolarHBondContact O-N 3.25Å; Y3620-L3622 VanDerWaalsContact C-N 3.3Å; Y3620-L3622 PolarHBondContact O-N 2.96Å; L3622-S3624 VanDerWaalsContact C-N 3.28Å; L3622-S3624 PolarHBondContact O-N 3.05Å |
| 3623 | C | 64.5 | Low | 53 | Low | 43.2 Ų | 43.2 | 67 Ų | 67 | 29% | 0.292 | 37% | 0.367 | S | S | . | . | trans | -83.9 | 67.4 | 177.6 | -77 | 0 | 0 | 0 | 0 | 112.7 | I3550 R3619 Y3620 N3625 T3626 | I3550-C3623 VanDerWaalsContact CG2-SG 3.5Å; R3619-C3623 VanDerWaalsContact O-CB 3.31Å; R3619-C3623 WeakPolarHBondContact O-CB 3.36Å; R3619-C3623 PolarHBondContact O-N 3.26Å; R3619-C3623 PolarHBondContact O-SG 3.05Å; Y3620-C3623 PolarHBondContact O-N 3.18Å; C3623-N3625 PolarHBondContact O-N 3.11Å; C3623-N3625 VanDerWaalsContact O-N 3.17Å; C3623-T3626 WeakPolarHBondContact CB-OG1 3.22Å; C3623-T3626 PolarHBondContact O-N 3.4Å | ||
| 3624 | S | 52.6 | Low | 52.7 | Low | 28 Ų | 28 | 65.6 Ų | 65.6 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | trans | -64.2 | -0.1 | -175.1 | 50.8 | 0 | 0 | 0 | 0 | 116.6 | R3546 Q3582 N3584 A3621 L3622 T3626 | R3546-S3624 VanDerWaalsContact CZ-CB 3.46Å; R3546-S3624 PolarHBondContact NH1-OG 3.16Å; R3546-S3624 VanDerWaalsContact NH2-N 3.12Å; R3546-S3624 PolarHBondContact NH2-OG 3.22Å; Q3582-S3624 WeakPolarHBondContact O-CB 3.3Å; Q3582-S3624 PolarHBondContact O-OG 3.42Å; N3584-S3624 VanDerWaalsContact CG-O 3.22Å; N3584-S3624 PolarHBondContact N-OG 3.37Å; N3584-S3624 PolarHBondContact ND2-O 3.31Å; N3584-S3624 PolarHBondContact OD1-O 3.48Å; A3621-S3624 PolarHBondContact O-OG 2.85Å; L3622-S3624 VanDerWaalsContact C-N 3.28Å; L3622-S3624 PolarHBondContact O-N 3.05Å; S3624-T3626 PolarHBondContact O-N 3.47Å | ||
| 3625 | N | 45.1 | Very low | 52.2 | Low | 120.4 Ų | 120.4 | 64.8 Ų | 64.8 | 64% | 0.644 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -115.1 | 54.3 | -178.8 | -74.7 | -11.7 | 0 | 0 | 0 | 112.8 | R3546 C3623 V3627 | R3546-N3625 PolarHBondContact NH1-OD1 3.12Å; C3623-N3625 PolarHBondContact O-N 3.11Å; C3623-N3625 VanDerWaalsContact O-N 3.17Å; N3625-V3627 PolarHBondContact O-N 3.16Å |
| 3626 | T | 38.9 | Very low | 52.3 | Low | 98.8 Ų | 98.8 | 67.2 Ų | 67.2 | 61% | 0.606 | 37% | 0.367 | S | S | * | . | trans | -39.7 | 87.8 | 165.7 | 58.2 | 0 | 0 | 0 | 0 | 112.3 | C3623 S3624 V3628 | C3623-T3626 WeakPolarHBondContact CB-OG1 3.22Å; C3623-T3626 PolarHBondContact O-N 3.4Å; S3624-T3626 PolarHBondContact O-N 3.47Å; T3626-V3628 PolarHBondContact O-N 3.05Å | ||
| 3627 | V | 33.7 | Very low | 52.7 | Low | 108.6 Ų | 108.6 | 65.6 Ų | 65.6 | 66% | 0.658 | 36% | 0.362 | S | S | * | . | trans | -95.8 | 84.9 | 140 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | Y3620 N3625 N3629 | Y3620-V3627 HydrophobicContact CD1-CG2 4.43Å; Y3620-V3627 HydrophobicContact CE1-CG2 4.1Å; N3625-V3627 PolarHBondContact O-N 3.16Å; V3627-N3629 PolarHBondContact O-N 2.88Å | ||
| 3628 | V | 34.1 | Very low | 53.2 | Low | 86.4 Ų | 86.4 | 66.5 Ų | 66.5 | 52% | 0.524 | 37% | 0.366 | S | S | . | . | trans | -99.1 | 109.1 | 151.2 | -173 | 0 | 0 | 0 | 0 | 106.2 | T3626 S3630 C3893 | T3626-V3628 PolarHBondContact O-N 3.05Å; V3628-S3630 PolarHBondContact O-N 3.21Å; V3628-C3893 HydrophobicContact CG1-CB 4.09Å; V3628-C3893 HydrophobicContact CG2-CB 4.26Å | ||
| 3629 | N | 31.8 | Very low | 53.7 | Low | 133 Ų | 133 | 67.2 Ų | 67.2 | 71% | 0.711 | 37% | 0.37 | S | S | * | . | trans | -43.5 | 100.9 | 162.7 | -80.5 | -14.5 | 0 | 0 | 0 | 107.6 | V3627 C3631 | V3627-N3629 PolarHBondContact O-N 2.88Å; N3629-C3631 PolarHBondContact O-N 3.12Å; N3629-C3631 VanDerWaalsContact O-N 3.13Å | ||
| 3630 | S | 32.7 | Very low | 54.1 | Low | 80.4 Ų | 80.4 | 65 Ų | 65 | 56% | 0.562 | 36% | 0.362 | S | S | * | . | trans | -59.7 | 109.8 | 170.6 | 47.6 | 0 | 0 | 0 | 0 | 106.6 | V3628 E3632 | V3628-S3630 PolarHBondContact O-N 3.21Å; S3630-E3632 PolarHBondContact O-N 3.09Å; S3630-E3632 VanDerWaalsContact O-N 3.13Å | ||
| 3631 | C | 33 | Very low | 54.7 | Low | 70 Ų | 70 | 59.4 Ų | 59.4 | 47% | 0.473 | 34% | 0.34 | S | S | . | . | trans | -51.2 | 120.9 | 167.5 | -76.1 | 0 | 0 | 0 | 0 | 105.6 | N3629 L3633 I3634 | N3629-C3631 PolarHBondContact O-N 3.12Å; N3629-C3631 VanDerWaalsContact O-N 3.13Å; C3631-L3633 PolarHBondContact O-N 2.97Å; C3631-I3634 HydrophobicContact CB-CD1 4.49Å; C3631-I3634 PolarHBondContact O-N 3.34Å | ||
| 3632 | E | 39.1 | Very low | 55.5 | Low | 196.8 Ų | 196.8 | 59.3 Ų | 59.3 | 92% | 0.92 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -5.5 | -170.8 | -68.6 | -179.4 | 144 | 0 | 0 | 113.8 | S3630 | S3630-E3632 PolarHBondContact O-N 3.09Å; S3630-E3632 VanDerWaalsContact O-N 3.13Å |
| 3633 | L | 42.4 | Very low | 56.3 | Low | 86.6 Ų | 86.6 | 59.2 Ų | 59.2 | 45% | 0.453 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 22.8 | -174 | -68.5 | 154.3 | 0 | 0 | 0 | 112.5 | C3631 E3744 N3774 | C3631-L3633 PolarHBondContact O-N 2.97Å; L3633-E3744 WeakPolarHBondContact CB-OE1 3.27Å; L3633-E3744 VanDerWaalsContact CD2-OE1 3.28Å; L3633-E3744 WeakPolarHBondContact CD2-OE1 3.26Å; L3633-N3774 VanDerWaalsContact CD1-ND2 3.3Å; L3633-N3774 WeakPolarHBondContact CD1-ND2 3.35Å |
| 3634 | I | 51.2 | Low | 57 | Low | 27.6 Ų | 27.6 | 57.2 Ų | 57.2 | 14% | 0.142 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -162.8 | 140.7 | 176.7 | -54.5 | 172.1 | 0 | 0 | 0 | 113.5 | C3631 N3636 E3744 N3774 Q3777 L3778 V3781 | C3631-I3634 HydrophobicContact CB-CD1 4.49Å; C3631-I3634 PolarHBondContact O-N 3.34Å; I3634-N3636 PolarHBondContact O-N 2.74Å; I3634-E3744 HydrophobicContact CG1-CG 4.31Å; I3634-N3774 HydrophobicContact CD1-CB 3.96Å; I3634-N3774 WeakPolarHBondContact CD1-OD1 3.47Å; I3634-Q3777 HydrophobicContact CB-CG 4.5Å; I3634-Q3777 HydrophobicContact CD1-CB 3.68Å; I3634-Q3777 VanDerWaalsContact CD1-CB 3.43Å; I3634-Q3777 HydrophobicContact CD1-CG 3.96Å; I3634-Q3777 VanDerWaalsContact CD1-OE1 3.23Å; I3634-Q3777 HydrophobicContact CG2-CB 4.18Å; I3634-Q3777 HydrophobicContact CG2-CG 3.79Å; I3634-Q3777 VanDerWaalsContact CG2-CG 3.47Å; I3634-L3778 HydrophobicContact CD1-CD2 3.95Å; I3634-L3778 HydrophobicContact CD1-CG 3.97Å; I3634-L3778 HydrophobicContact CG1-CD2 4.13Å; I3634-L3778 HydrophobicContact CG1-CG 4.42Å; I3634-L3778 HydrophobicContact CG2-CD2 3.94Å; I3634-L3778 HydrophobicContact CG2-CG 3.92Å; I3634-V3781 HydrophobicContact CG2-CG2 4.09Å |
| 3635 | P | 55.6 | Low | 58.4 | Low | 19.8 Ų | 19.8 | 55.9 Ų | 55.9 | 13% | 0.129 | 32% | 0.315 | C | S | . | . | trans | -69 | 143.7 | 171.4 | 22.4 | -28 | 0 | 0 | 0 | 113 | T3637 I3639 V3640 F3685 I3737 V3781 | P3635-T3637 PolarHBondContact O-N 2.95Å; P3635-I3639 HydrophobicContact CB-CD1 4.44Å; P3635-V3640 HydrophobicContact CB-CG2 4.21Å; P3635-V3640 HydrophobicContact CG-CG2 4.05Å; P3635-F3685 HydrophobicContact CB-CE2 4.39Å; P3635-F3685 HydrophobicContact CB-CZ 4.5Å; P3635-I3737 HydrophobicContact CB-CD1 4.21Å; P3635-I3737 HydrophobicContact CB-CG1 4.28Å; P3635-I3737 HydrophobicContact CG-CD1 4.25Å; P3635-I3737 HydrophobicContact CG-CG1 4.13Å; P3635-I3737 HydrophobicContact CG-CG2 4.13Å; P3635-V3781 HydrophobicContact CG-CB 4.37Å; P3635-V3781 HydrophobicContact CG-CG1 3.76Å; P3635-V3781 HydrophobicContact CG-CG2 4.13Å | ||
| 3636 | N | 68.4 | Low | 60.3 | Low | 80.6 Ų | 80.6 | 50.2 Ų | 50.2 | 43% | 0.431 | 29% | 0.285 | S | S | . | . | trans | -46 | 127.8 | 178.8 | -160.6 | -6.1 | 0 | 0 | 0 | 111 | I3634 D3638 I3639 V3640 | I3634-N3636 PolarHBondContact O-N 2.74Å; N3636-D3638 PolarHBondContact ND2-OD2 3.3Å; N3636-D3638 PolarHBondContact O-N 3.16Å; N3636-D3638 VanDerWaalsContact O-N 3.1Å; N3636-D3638 PolarHBondContact OD1-N 3.17Å; N3636-D3638 PolarHBondContact OD1-OD2 2.61Å; N3636-I3639 HydrophobicContact CB-CB 4.32Å; N3636-I3639 HydrophobicContact CB-CD1 3.72Å; N3636-I3639 HydrophobicContact CB-CG1 4Å; N3636-I3639 WeakPolarHBondContact O-CA 3.4Å; N3636-I3639 WeakPolarHBondContact O-CB 3.34Å; N3636-I3639 PolarHBondContact O-N 3.03Å; N3636-V3640 PolarHBondContact O-N 3.3Å; N3636-V3640 VanDerWaalsContact O-N 3.16Å | ||
| 3637 | T | 72.7 | Confident | 62.2 | Low | 24 Ų | 24 | 47.2 Ų | 47.2 | 15% | 0.147 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -46.6 | -40.7 | 179.3 | -50.2 | 0 | 0 | 0 | 0 | 112.3 | P3635 I3639 V3640 A3641 Y3889 T3892 | P3635-T3637 PolarHBondContact O-N 2.95Å; T3637-I3639 VanDerWaalsContact C-N 3.28Å; T3637-I3639 PolarHBondContact O-N 3.08Å; T3637-V3640 PolarHBondContact O-N 3.29Å; T3637-A3641 VanDerWaalsContact O-CB 3.25Å; T3637-A3641 WeakPolarHBondContact O-CB 3.28Å; T3637-A3641 PolarHBondContact O-N 3.03Å; T3637-Y3889 HydrophobicContact CG2-CD1 3.44Å; T3637-Y3889 VanDerWaalsContact CG2-CD1 3.41Å; T3637-Y3889 HydrophobicContact CG2-CE1 3.59Å; T3637-Y3889 HydrophobicContact CG2-CG 4.14Å; T3637-T3892 WeakPolarHBondContact CB-OG1 3.5Å; T3637-T3892 HydrophobicContact CG2-CG2 4.26Å; T3637-T3892 WeakPolarHBondContact CG2-OG1 3.38Å; T3637-T3892 VanDerWaalsContact OG1-CB 3.28Å; T3637-T3892 WeakPolarHBondContact OG1-CB 3.33Å; T3637-T3892 PolarHBondContact OG1-OG1 3.13Å; T3637-T3892 VanDerWaalsContact OG1-OG1 3.1Å |
| 3638 | D | 76.2 | Confident | 64.2 | Low | 23.6 Ų | 23.6 | 42.5 Ų | 42.5 | 13% | 0.126 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.6 | -33.5 | 179.5 | -64.7 | -35.2 | 0 | 0 | 0 | 112.9 | N3636 S3642 Y3889 | N3636-D3638 PolarHBondContact ND2-OD2 3.3Å; N3636-D3638 PolarHBondContact O-N 3.16Å; N3636-D3638 VanDerWaalsContact O-N 3.1Å; N3636-D3638 PolarHBondContact OD1-N 3.17Å; N3636-D3638 PolarHBondContact OD1-OD2 2.61Å; D3638-S3642 VanDerWaalsContact O-CB 3.28Å; D3638-S3642 WeakPolarHBondContact O-CB 3.41Å; D3638-S3642 PolarHBondContact O-N 3.23Å; D3638-S3642 PolarHBondContact O-OG 2.99Å; D3638-Y3889 VanDerWaalsContact OD1-CE1 3.3Å; D3638-Y3889 WeakPolarHBondContact OD1-CE1 3.31Å; D3638-Y3889 PolarHBondContact OD1-OH 3.04Å; D3638-Y3889 VanDerWaalsContact OD1-OH 3.05Å |
| 3639 | I | 80.8 | Confident | 66.3 | Low | 15.8 Ų | 15.8 | 38.5 Ų | 38.5 | 8% | 0.081 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.7 | -44.2 | 177.6 | -58.3 | 167.3 | 0 | 0 | 0 | 109.9 | P3635 N3636 T3637 A3641 S3642 L3643 F3685 I3737 | P3635-I3639 HydrophobicContact CB-CD1 4.44Å; N3636-I3639 HydrophobicContact CB-CB 4.32Å; N3636-I3639 HydrophobicContact CB-CD1 3.72Å; N3636-I3639 HydrophobicContact CB-CG1 4Å; N3636-I3639 WeakPolarHBondContact O-CA 3.4Å; N3636-I3639 WeakPolarHBondContact O-CB 3.34Å; N3636-I3639 PolarHBondContact O-N 3.03Å; T3637-I3639 VanDerWaalsContact C-N 3.28Å; T3637-I3639 PolarHBondContact O-N 3.08Å; I3639-A3641 VanDerWaalsContact C-N 3.32Å; I3639-A3641 PolarHBondContact O-N 3.48Å; I3639-S3642 WeakPolarHBondContact O-CB 3.23Å; I3639-S3642 PolarHBondContact O-N 3.21Å; I3639-L3643 HydrophobicContact CG2-CD1 4.33Å; I3639-L3643 WeakPolarHBondContact O-CG 3.23Å; I3639-L3643 PolarHBondContact O-N 3.02Å; I3639-F3685 HydrophobicContact CD1-CB 3.81Å; I3639-F3685 HydrophobicContact CD1-CD2 3.3Å; I3639-F3685 VanDerWaalsContact CD1-CD2 3.5Å; I3639-F3685 HydrophobicContact CD1-CE2 3.98Å; I3639-F3685 HydrophobicContact CD1-CG 3.7Å; I3639-F3685 HydrophobicContact CG1-CB 4.27Å; I3639-F3685 HydrophobicContact CG1-CD2 4.35Å; I3639-F3685 HydrophobicContact CG1-CG 4.34Å; I3639-F3685 HydrophobicContact CG2-CB 4.27Å; I3639-F3685 HydrophobicContact CG2-CD1 4.05Å; I3639-F3685 HydrophobicContact CG2-CD2 4.33Å; I3639-F3685 HydrophobicContact CG2-CE1 4.43Å; I3639-F3685 HydrophobicContact CG2-CG 3.98Å; I3639-I3737 HydrophobicContact CG2-CD1 4Å |
| 3640 | V | 78.4 | Confident | 68.5 | Low | 0.2 Ų | 0.2 | 33.1 Ų | 33.1 | 0% | 0.001 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.9 | -43.8 | 176.3 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | P3635 N3636 T3637 S3642 L3643 V3644 V3781 L3784 L3785 V3888 | P3635-V3640 HydrophobicContact CB-CG2 4.21Å; P3635-V3640 HydrophobicContact CG-CG2 4.05Å; N3636-V3640 PolarHBondContact O-N 3.3Å; N3636-V3640 VanDerWaalsContact O-N 3.16Å; T3637-V3640 PolarHBondContact O-N 3.29Å; V3640-S3642 VanDerWaalsContact C-N 3.35Å; V3640-S3642 PolarHBondContact O-N 3.11Å; V3640-L3643 PolarHBondContact O-N 3.06Å; V3640-V3644 WeakPolarHBondContact O-CG2 3.31Å; V3640-V3644 PolarHBondContact O-N 3.31Å; V3640-V3781 HydrophobicContact CG1-CG1 4.31Å; V3640-V3781 HydrophobicContact CG2-CG1 4.02Å; V3640-V3781 HydrophobicContact CG2-CG2 4.35Å; V3640-L3784 HydrophobicContact CG1-CB 4.46Å; V3640-L3784 HydrophobicContact CG1-CD1 4.4Å; V3640-L3785 HydrophobicContact CG1-CD2 3.99Å; V3640-L3785 HydrophobicContact CG1-CG 4.21Å; V3640-V3888 HydrophobicContact CB-CG1 4.01Å; V3640-V3888 HydrophobicContact CG1-CG1 3.7Å |
| 3641 | A | 80.3 | Confident | 70.4 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.2 | -44.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P3586 T3637 I3639 L3643 V3644 Y3645 T3885 V3888 Y3889 | P3586-A3641 HydrophobicContact CG-CB 4.17Å; T3637-A3641 VanDerWaalsContact O-CB 3.25Å; T3637-A3641 WeakPolarHBondContact O-CB 3.28Å; T3637-A3641 PolarHBondContact O-N 3.03Å; I3639-A3641 VanDerWaalsContact C-N 3.32Å; I3639-A3641 PolarHBondContact O-N 3.48Å; A3641-L3643 VanDerWaalsContact C-N 3.33Å; A3641-L3643 PolarHBondContact O-N 3.12Å; A3641-V3644 PolarHBondContact O-N 3.08Å; A3641-Y3645 WeakPolarHBondContact O-CB 3.35Å; A3641-Y3645 PolarHBondContact O-N 3.31Å; A3641-T3885 HydrophobicContact CB-CG2 4.17Å; A3641-T3885 VanDerWaalsContact O-CG2 3.31Å; A3641-T3885 WeakPolarHBondContact O-CG2 3.37Å; A3641-V3888 HydrophobicContact CB-CB 4.29Å; A3641-V3888 HydrophobicContact CB-CG1 4.1Å; A3641-Y3889 HydrophobicContact CB-CD2 4.31Å; A3641-Y3889 HydrophobicContact CB-CE2 3.62Å; A3641-Y3889 VanDerWaalsContact CB-CE2 3.45Å |
| 3642 | S | 85.7 | Confident | 72.3 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.3 | -41.6 | 176 | -62.9 | 0 | 0 | 0 | 0 | 112.5 | P3586 D3638 I3639 V3640 Y3645 L3646 S3678 N3681 | P3586-S3642 WeakPolarHBondContact CD-OG 3.35Å; D3638-S3642 VanDerWaalsContact O-CB 3.28Å; D3638-S3642 WeakPolarHBondContact O-CB 3.41Å; D3638-S3642 PolarHBondContact O-N 3.23Å; D3638-S3642 PolarHBondContact O-OG 2.99Å; I3639-S3642 WeakPolarHBondContact O-CB 3.23Å; I3639-S3642 PolarHBondContact O-N 3.21Å; V3640-S3642 VanDerWaalsContact C-N 3.35Å; V3640-S3642 PolarHBondContact O-N 3.11Å; S3642-Y3645 WeakPolarHBondContact O-CB 3.39Å; S3642-Y3645 PolarHBondContact O-N 3.21Å; S3642-L3646 WeakPolarHBondContact O-CG 3.35Å; S3642-L3646 PolarHBondContact O-N 3.19Å; S3642-S3678 WeakPolarHBondContact OG-CA 3.41Å; S3642-N3681 WeakPolarHBondContact OG-CB 3.21Å; S3642-N3681 PolarHBondContact OG-ND2 3.31Å; S3642-N3681 VanDerWaalsContact OG-ND2 3.1Å |
| 3643 | L | 84.1 | Confident | 73.8 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.3 | -40.8 | 177.7 | -73.6 | 170.2 | 0 | 0 | 0 | 112.8 | I3639 V3640 A3641 Y3645 L3646 N3647 I3682 K3730 A3733 L3734 I3737 L3785 | I3639-L3643 HydrophobicContact CG2-CD1 4.33Å; I3639-L3643 WeakPolarHBondContact O-CG 3.23Å; I3639-L3643 PolarHBondContact O-N 3.02Å; V3640-L3643 PolarHBondContact O-N 3.06Å; A3641-L3643 VanDerWaalsContact C-N 3.33Å; A3641-L3643 PolarHBondContact O-N 3.12Å; L3643-Y3645 VanDerWaalsContact C-N 3.35Å; L3643-L3646 PolarHBondContact O-N 3.21Å; L3643-N3647 WeakPolarHBondContact O-CB 3.39Å; L3643-N3647 VanDerWaalsContact O-CG 3.31Å; L3643-N3647 PolarHBondContact O-N 3.26Å; L3643-N3647 PolarHBondContact O-ND2 3.48Å; L3643-I3682 HydrophobicContact CD2-CD1 3.66Å; L3643-I3682 HydrophobicContact CD2-CG1 4.21Å; L3643-I3682 HydrophobicContact CG-CD1 4.1Å; L3643-I3682 HydrophobicContact CG-CG1 4.35Å; L3643-K3730 HydrophobicContact CD2-CB 4.48Å; L3643-K3730 HydrophobicContact CD2-CG 3.73Å; L3643-A3733 HydrophobicContact CD1-CB 4.45Å; L3643-A3733 HydrophobicContact CD2-CB 4.02Å; L3643-L3734 HydrophobicContact CD1-CD2 4.06Å; L3643-L3734 HydrophobicContact CD1-CG 4.46Å; L3643-L3734 HydrophobicContact CD2-CD2 4.37Å; L3643-L3734 HydrophobicContact CD2-CG 4.17Å; L3643-I3737 HydrophobicContact CD1-CD1 3.31Å; L3643-L3785 HydrophobicContact CB-CD2 3.54Å; L3643-L3785 VanDerWaalsContact CB-CD2 3.49Å; L3643-L3785 HydrophobicContact CD1-CD1 4.35Å; L3643-L3785 HydrophobicContact CD1-CD2 3.88Å; L3643-L3785 HydrophobicContact CG-CD2 4.35Å |
| 3644 | V | 79.4 | Confident | 74.9 | Confident | 0.2 Ų | 0.2 | 19.7 Ų | 19.7 | 0% | 0.001 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.4 | -42.3 | 174.5 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | V3640 A3641 L3646 N3647 S3648 L3784 L3785 Q3884 V3888 | V3640-V3644 WeakPolarHBondContact O-CG2 3.31Å; V3640-V3644 PolarHBondContact O-N 3.31Å; A3641-V3644 PolarHBondContact O-N 3.08Å; V3644-L3646 PolarHBondContact O-N 3.28Å; V3644-N3647 PolarHBondContact O-N 3.04Å; V3644-S3648 WeakPolarHBondContact O-CB 3.2Å; V3644-S3648 PolarHBondContact O-N 3.06Å; V3644-S3648 VanDerWaalsContact O-N 3.09Å; V3644-S3648 PolarHBondContact O-OG 3.05Å; V3644-L3784 HydrophobicContact CG2-CB 4.31Å; V3644-L3784 WeakPolarHBondContact CG2-O 3.34Å; V3644-L3785 HydrophobicContact CG2-CD2 4.26Å; V3644-Q3884 HydrophobicContact CG1-CB 3.76Å; V3644-V3888 HydrophobicContact CB-CG2 3.82Å; V3644-V3888 HydrophobicContact CG1-CG2 3.96Å; V3644-V3888 HydrophobicContact CG2-CG2 3.62Å |
| 3645 | Y | 83.8 | Confident | 75.5 | Confident | 1.2 Ų | 1.2 | 21.2 Ų | 21.2 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.9 | -52 | 173.8 | -174.2 | -93.5 | 0 | 0 | 0 | 111.2 | P3586 A3641 S3642 L3643 N3647 S3648 F3649 E3671 P3674 F3675 S3678 P3881 I3882 T3885 | P3586-Y3645 HydrophobicContact CB-CD1 4.47Å; P3586-Y3645 HydrophobicContact CB-CD2 4.04Å; P3586-Y3645 HydrophobicContact CB-CG 4.03Å; P3586-Y3645 HydrophobicContact CG-CG 4.42Å; A3641-Y3645 WeakPolarHBondContact O-CB 3.35Å; A3641-Y3645 PolarHBondContact O-N 3.31Å; S3642-Y3645 WeakPolarHBondContact O-CB 3.39Å; S3642-Y3645 PolarHBondContact O-N 3.21Å; L3643-Y3645 VanDerWaalsContact C-N 3.35Å; Y3645-N3647 PolarHBondContact O-N 3.08Å; Y3645-S3648 PolarHBondContact O-N 3.27Å; Y3645-S3648 PolarHBondContact O-OG 3.43Å; Y3645-F3649 HydrophobicContact CD1-CB 4.35Å; Y3645-F3649 HydrophobicContact CE1-CB 4.06Å; Y3645-F3649 HydrophobicContact CE1-CD1 4.35Å; Y3645-F3649 HydrophobicContact CE1-CG 4.15Å; Y3645-F3649 VanDerWaalsContact O-CB 3.27Å; Y3645-F3649 WeakPolarHBondContact O-CB 3.28Å; Y3645-F3649 PolarHBondContact O-N 2.98Å; Y3645-E3671 PolarHBondContact OH-O 3.14Å; Y3645-E3671 VanDerWaalsContact OH-O 3.1Å; Y3645-P3674 HydrophobicContact CD2-CB 4.3Å; Y3645-P3674 HydrophobicContact CE1-CB 4.16Å; Y3645-P3674 HydrophobicContact CE2-CB 3.66Å; Y3645-F3675 HydrophobicContact CE1-CB 3.92Å; Y3645-F3675 HydrophobicContact CE1-CD2 4.18Å; Y3645-F3675 HydrophobicContact CE1-CG 4.44Å; Y3645-S3678 WeakPolarHBondContact CD1-OG 3.19Å; Y3645-P3881 HydrophobicContact CD2-CB 3.66Å; Y3645-P3881 HydrophobicContact CE2-CB 3.53Å; Y3645-P3881 VanDerWaalsContact CE2-CB 3.45Å; Y3645-P3881 HydrophobicContact CE2-CG 4.49Å; Y3645-P3881 HydrophobicContact CG-CB 4.44Å; Y3645-I3882 HydrophobicContact CD2-CD1 4.44Å; Y3645-I3882 HydrophobicContact CE2-CD1 4.11Å; Y3645-I3882 HydrophobicContact CE2-CG1 4.26Å; Y3645-T3885 WeakPolarHBondContact CB-OG1 3.29Å; Y3645-T3885 HydrophobicContact CD2-CG2 3.92Å; Y3645-T3885 WeakPolarHBondContact CD2-OG1 3.48Å; Y3645-T3885 HydrophobicContact CG-CG2 4.24Å |
| 3646 | L | 84.1 | Confident | 75.7 | Confident | 1.6 Ų | 1.6 | 25.3 Ų | 25.3 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63 | -40.4 | 179.5 | -71.8 | -168.7 | 0 | 0 | 0 | 113 | S3642 L3643 V3644 S3648 F3649 L3650 F3675 I3682 I3726 K3730 | S3642-L3646 WeakPolarHBondContact O-CG 3.35Å; S3642-L3646 PolarHBondContact O-N 3.19Å; L3643-L3646 PolarHBondContact O-N 3.21Å; V3644-L3646 PolarHBondContact O-N 3.28Å; L3646-S3648 VanDerWaalsContact C-N 3.3Å; L3646-S3648 PolarHBondContact O-N 3.15Å; L3646-F3649 PolarHBondContact O-N 3.26Å; L3646-L3650 HydrophobicContact CB-CD1 4.4Å; L3646-L3650 VanDerWaalsContact O-CB 3.24Å; L3646-L3650 WeakPolarHBondContact O-CB 3.31Å; L3646-L3650 VanDerWaalsContact O-CG 3.29Å; L3646-L3650 WeakPolarHBondContact O-CG 3.3Å; L3646-L3650 PolarHBondContact O-N 3.31Å; L3646-F3675 HydrophobicContact CD2-CD2 3.5Å; L3646-F3675 VanDerWaalsContact CD2-CD2 3.47Å; L3646-F3675 HydrophobicContact CD2-CE2 3.33Å; L3646-F3675 VanDerWaalsContact CD2-CE2 3.46Å; L3646-F3675 HydrophobicContact CD2-CZ 4.23Å; L3646-I3682 HydrophobicContact CD1-CD1 3.27Å; L3646-I3682 HydrophobicContact CG-CD1 4.08Å; L3646-I3726 HydrophobicContact CD1-CG2 3.87Å; L3646-I3726 HydrophobicContact CD2-CG2 4.19Å; L3646-K3730 HydrophobicContact CB-CD 3.91Å; L3646-K3730 HydrophobicContact CB-CG 4.34Å; L3646-K3730 HydrophobicContact CD1-CB 4.2Å; L3646-K3730 HydrophobicContact CD1-CD 4.44Å; L3646-K3730 HydrophobicContact CD1-CG 4.21Å |
| 3647 | N | 79.3 | Confident | 74.9 | Confident | 33.8 Ų | 33.8 | 24.1 Ų | 24.1 | 18% | 0.181 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.1 | -42 | 176.7 | -83.4 | -18.7 | 0 | 0 | 0 | 111.7 | L3643 V3644 Y3645 S3651 K3730 L3785 | L3643-N3647 WeakPolarHBondContact O-CB 3.39Å; L3643-N3647 VanDerWaalsContact O-CG 3.31Å; L3643-N3647 PolarHBondContact O-N 3.26Å; L3643-N3647 PolarHBondContact O-ND2 3.48Å; V3644-N3647 PolarHBondContact O-N 3.04Å; Y3645-N3647 PolarHBondContact O-N 3.08Å; N3647-S3651 VanDerWaalsContact O-CB 3.26Å; N3647-S3651 WeakPolarHBondContact O-CB 3.39Å; N3647-S3651 PolarHBondContact O-N 3.11Å; N3647-S3651 PolarHBondContact O-OG 3.27Å; N3647-S3651 VanDerWaalsContact O-OG 3.12Å; N3647-K3730 VanDerWaalsContact OD1-CD 3.31Å; N3647-K3730 WeakPolarHBondContact OD1-CD 3.37Å; N3647-K3730 VanDerWaalsContact OD1-CE 3.26Å; N3647-K3730 WeakPolarHBondContact OD1-CE 3.35Å; N3647-K3730 PolarHBondContact OD1-NZ 3.1Å; N3647-K3730 VanDerWaalsContact OD1-NZ 3.17Å; N3647-L3785 PolarHBondContact ND2-O 3.06Å |
| 3648 | S | 75.1 | Confident | 73.6 | Confident | 10 Ų | 10 | 28.6 Ų | 28.6 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.8 | -51.3 | 177.6 | -175.9 | 0 | 0 | 0 | 0 | 111.7 | V3644 Y3645 L3646 S3651 K3652 P3881 Q3884 | V3644-S3648 WeakPolarHBondContact O-CB 3.2Å; V3644-S3648 PolarHBondContact O-N 3.06Å; V3644-S3648 VanDerWaalsContact O-N 3.09Å; V3644-S3648 PolarHBondContact O-OG 3.05Å; Y3645-S3648 PolarHBondContact O-N 3.27Å; Y3645-S3648 PolarHBondContact O-OG 3.43Å; L3646-S3648 VanDerWaalsContact C-N 3.3Å; L3646-S3648 PolarHBondContact O-N 3.15Å; S3648-S3651 WeakPolarHBondContact O-CB 3.44Å; S3648-S3651 PolarHBondContact O-N 2.95Å; S3648-S3651 VanDerWaalsContact O-N 3.17Å; S3648-S3651 PolarHBondContact O-OG 3.14Å; S3648-K3652 PolarHBondContact O-N 3.14Å; S3648-P3881 WeakPolarHBondContact OG-CA 3.41Å; S3648-P3881 WeakPolarHBondContact OG-CB 3.25Å; S3648-Q3884 PolarHBondContact OG-OE1 3.04Å |
| 3649 | F | 79.2 | Confident | 71.9 | Confident | 2.8 Ų | 2.8 | 31.7 Ų | 31.7 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.2 | -43.2 | -174.2 | -172.4 | -109 | 0 | 0 | 0 | 113.1 | Y3645 L3646 S3651 K3652 I3653 I3667 E3671 F3675 P3881 | Y3645-F3649 HydrophobicContact CD1-CB 4.35Å; Y3645-F3649 HydrophobicContact CE1-CB 4.06Å; Y3645-F3649 HydrophobicContact CE1-CD1 4.35Å; Y3645-F3649 HydrophobicContact CE1-CG 4.15Å; Y3645-F3649 VanDerWaalsContact O-CB 3.27Å; Y3645-F3649 WeakPolarHBondContact O-CB 3.28Å; Y3645-F3649 PolarHBondContact O-N 2.98Å; L3646-F3649 PolarHBondContact O-N 3.26Å; F3649-S3651 VanDerWaalsContact C-N 3.32Å; F3649-S3651 PolarHBondContact O-N 3.14Å; F3649-K3652 HydrophobicContact CD2-CD 4.3Å; F3649-K3652 WeakPolarHBondContact O-CB 3.35Å; F3649-K3652 PolarHBondContact O-N 3.21Å; F3649-I3653 HydrophobicContact CD1-CD1 3.78Å; F3649-I3653 HydrophobicContact CE1-CD1 3.37Å; F3649-I3653 VanDerWaalsContact CE1-CD1 3.43Å; F3649-I3653 HydrophobicContact CE1-CG1 4.35Å; F3649-I3653 HydrophobicContact CE2-CD1 4.46Å; F3649-I3653 HydrophobicContact CG-CD1 4.5Å; F3649-I3653 HydrophobicContact CZ-CD1 3.82Å; F3649-I3653 HydrophobicContact CZ-CG1 4.41Å; F3649-I3653 WeakPolarHBondContact O-CG1 3.33Å; F3649-I3653 PolarHBondContact O-N 3.14Å; F3649-I3667 HydrophobicContact CE1-CD1 4.07Å; F3649-I3667 HydrophobicContact CE1-CG1 4.48Å; F3649-I3667 HydrophobicContact CZ-CD1 3.92Å; F3649-I3667 HydrophobicContact CZ-CG1 4.17Å; F3649-I3667 HydrophobicContact CZ-CG2 4.26Å; F3649-E3671 HydrophobicContact CE2-CB 3.95Å; F3649-E3671 HydrophobicContact CE2-CG 4.15Å; F3649-E3671 WeakPolarHBondContact CE2-OE2 3.37Å; F3649-E3671 HydrophobicContact CZ-CB 4.27Å; F3649-F3675 HydrophobicContact CD1-CD1 4.25Å; F3649-F3675 AromaticContact CD1-CD2 3.54Å; F3649-F3675 HydrophobicContact CD1-CD2 3.78Å; F3649-F3675 VanDerWaalsContact CD1-CD2 3.41Å; F3649-F3675 HydrophobicContact CD1-CE1 4.24Å; F3649-F3675 AromaticContact CD1-CE2 3.57Å; F3649-F3675 HydrophobicContact CD1-CE2 3.81Å; F3649-F3675 VanDerWaalsContact CD1-CE2 3.42Å; F3649-F3675 HydrophobicContact CD1-CG 4.2Å; F3649-F3675 HydrophobicContact CD1-CZ 4.23Å; F3649-F3675 HydrophobicContact CE1-CB 4.31Å; F3649-F3675 AromaticContact CE1-CD1 3.65Å; F3649-F3675 HydrophobicContact CE1-CD1 3.85Å; F3649-F3675 AromaticContact CE1-CD2 3.71Å; F3649-F3675 HydrophobicContact CE1-CD2 3.98Å; F3649-F3675 AromaticContact CE1-CE1 3.69Å; F3649-F3675 HydrophobicContact CE1-CE1 3.69Å; F3649-F3675 VanDerWaalsContact CE1-CE1 3.43Å; F3649-F3675 AromaticContact CE1-CE2 3.64Å; F3649-F3675 HydrophobicContact CE1-CE2 4.06Å; F3649-F3675 AromaticContact CE1-CG 3.87Å; F3649-F3675 HydrophobicContact CE1-CG 3.98Å; F3649-F3675 AromaticContact CE1-CZ 3.97Å; F3649-F3675 HydrophobicContact CE1-CZ 4.11Å; F3649-F3675 HydrophobicContact CG-CD2 4.32Å; F3649-F3675 HydrophobicContact CZ-CD1 4.31Å; F3649-F3675 HydrophobicContact CZ-CE1 4.46Å; F3649-P3881 HydrophobicContact CB-CB 4.35Å; F3649-P3881 HydrophobicContact CB-CG 4.27Å; F3649-P3881 HydrophobicContact CD2-CG 4.29Å |
| 3650 | L | 77.8 | Confident | 70 | Confident | 20.4 Ų | 20.4 | 39.9 Ų | 39.9 | 11% | 0.107 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.1 | -33.2 | 175.6 | -65.6 | 171.8 | 0 | 0 | 0 | 111.7 | L3646 I3653 S3654 F3675 I3726 D3727 K3730 | L3646-L3650 HydrophobicContact CB-CD1 4.4Å; L3646-L3650 VanDerWaalsContact O-CB 3.24Å; L3646-L3650 WeakPolarHBondContact O-CB 3.31Å; L3646-L3650 VanDerWaalsContact O-CG 3.29Å; L3646-L3650 WeakPolarHBondContact O-CG 3.3Å; L3646-L3650 PolarHBondContact O-N 3.31Å; L3650-I3653 HydrophobicContact CD2-CD1 4.41Å; L3650-I3653 PolarHBondContact O-N 3.38Å; L3650-S3654 WeakPolarHBondContact O-CB 3.36Å; L3650-S3654 PolarHBondContact O-N 3.09Å; L3650-S3654 PolarHBondContact O-OG 3.33Å; L3650-F3675 HydrophobicContact CD2-CE2 4.3Å; L3650-F3675 HydrophobicContact CD2-CZ 4.36Å; L3650-I3726 HydrophobicContact CD1-CG2 4.26Å; L3650-D3727 HydrophobicContact CD1-CB 4.44Å; L3650-D3727 VanDerWaalsContact CD1-OD1 3.22Å; L3650-D3727 WeakPolarHBondContact CD1-OD1 3.47Å; L3650-K3730 HydrophobicContact CD1-CD 4.19Å |
| 3651 | S | 72.4 | Confident | 68.5 | Low | 44.4 Ų | 44.4 | 47.5 Ų | 47.5 | 31% | 0.31 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 173.5 | 115.5 | 0 | 0 | 0 | 0 | 111.7 | N3647 S3648 F3649 S3654 S3655 R3787 | N3647-S3651 VanDerWaalsContact O-CB 3.26Å; N3647-S3651 WeakPolarHBondContact O-CB 3.39Å; N3647-S3651 PolarHBondContact O-N 3.11Å; N3647-S3651 PolarHBondContact O-OG 3.27Å; N3647-S3651 VanDerWaalsContact O-OG 3.12Å; S3648-S3651 WeakPolarHBondContact O-CB 3.44Å; S3648-S3651 PolarHBondContact O-N 2.95Å; S3648-S3651 VanDerWaalsContact O-N 3.17Å; S3648-S3651 PolarHBondContact O-OG 3.14Å; F3649-S3651 VanDerWaalsContact C-N 3.32Å; F3649-S3651 PolarHBondContact O-N 3.14Å; S3651-S3654 WeakPolarHBondContact CA-OG 3.35Å; S3651-S3654 PolarHBondContact O-N 3.27Å; S3651-S3654 PolarHBondContact O-OG 3.14Å; S3651-S3655 PolarHBondContact O-N 3.25Å; S3651-S3655 VanDerWaalsContact O-N 3.08Å; S3651-R3787 PolarHBondContact OG-NH2 3.43Å |
| 3652 | K | 72.5 | Confident | 67.2 | Low | 23 Ų | 23 | 49.6 Ų | 49.6 | 10% | 0.1 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.7 | -53.1 | 171.8 | 176.4 | -172.7 | 176.8 | -179.8 | 0 | 110.7 | S3648 F3649 S3654 S3655 L3656 E3671 Q3877 D3878 | S3648-K3652 PolarHBondContact O-N 3.14Å; F3649-K3652 HydrophobicContact CD2-CD 4.3Å; F3649-K3652 WeakPolarHBondContact O-CB 3.35Å; F3649-K3652 PolarHBondContact O-N 3.21Å; K3652-S3654 VanDerWaalsContact C-N 3.29Å; K3652-S3654 PolarHBondContact O-N 3.11Å; K3652-S3655 PolarHBondContact O-N 3.25Å; K3652-S3655 VanDerWaalsContact O-N 3.1Å; K3652-S3655 PolarHBondContact O-OG 3.02Å; K3652-L3656 HydrophobicContact CG-CD1 4.31Å; K3652-L3656 PolarHBondContact O-N 3.14Å; K3652-E3671 IonicContact NZ-OE1 3.46Å; K3652-E3671 PolarHBondContact NZ-OE1 3Å; K3652-E3671 IonicContact NZ-OE2 3.27Å; K3652-Q3877 HydrophobicContact CD-CB 3.96Å; K3652-Q3877 WeakPolarHBondContact CD-O 3.24Å; K3652-Q3877 HydrophobicContact CG-CB 4.04Å; K3652-Q3877 PolarHBondContact NZ-O 3.44Å; K3652-Q3877 VanDerWaalsContact NZ-O 3.16Å; K3652-D3878 WeakPolarHBondContact CE-OD1 3.46Å; K3652-D3878 IonicContact NZ-OD1 3.31Å; K3652-D3878 PolarHBondContact NZ-OD1 3.1Å |
| 3653 | I | 70.5 | Confident | 66.1 | Low | 15.4 Ų | 15.4 | 54.9 Ų | 54.9 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.6 | -47.6 | 178.4 | -70 | 171.9 | 0 | 0 | 0 | 111 | F3649 L3650 S3655 L3656 T3657 F3665 I3667 I3718 | F3649-I3653 HydrophobicContact CD1-CD1 3.78Å; F3649-I3653 HydrophobicContact CE1-CD1 3.37Å; F3649-I3653 VanDerWaalsContact CE1-CD1 3.43Å; F3649-I3653 HydrophobicContact CE1-CG1 4.35Å; F3649-I3653 HydrophobicContact CE2-CD1 4.46Å; F3649-I3653 HydrophobicContact CG-CD1 4.5Å; F3649-I3653 HydrophobicContact CZ-CD1 3.82Å; F3649-I3653 HydrophobicContact CZ-CG1 4.41Å; F3649-I3653 WeakPolarHBondContact O-CG1 3.33Å; F3649-I3653 PolarHBondContact O-N 3.14Å; L3650-I3653 HydrophobicContact CD2-CD1 4.41Å; L3650-I3653 PolarHBondContact O-N 3.38Å; I3653-S3655 VanDerWaalsContact C-N 3.3Å; I3653-S3655 PolarHBondContact O-N 3.08Å; I3653-L3656 WeakPolarHBondContact O-CB 3.5Å; I3653-L3656 PolarHBondContact O-N 3.18Å; I3653-L3656 VanDerWaalsContact O-N 3.13Å; I3653-T3657 VanDerWaalsContact O-CG2 3.23Å; I3653-T3657 WeakPolarHBondContact O-CG2 3.45Å; I3653-F3665 HydrophobicContact CG2-CB 4.18Å; I3653-F3665 HydrophobicContact CG2-CD1 3.5Å; I3653-F3665 VanDerWaalsContact CG2-CD1 3.43Å; I3653-F3665 HydrophobicContact CG2-CD2 3.81Å; I3653-F3665 HydrophobicContact CG2-CE1 3.59Å; I3653-F3665 HydrophobicContact CG2-CE2 3.86Å; I3653-F3665 HydrophobicContact CG2-CG 3.6Å; I3653-F3665 VanDerWaalsContact CG2-CG 3.41Å; I3653-F3665 HydrophobicContact CG2-CZ 3.76Å; I3653-F3665 VanDerWaalsContact CG2-CZ 3.49Å; I3653-I3667 HydrophobicContact CD1-CD1 3.95Å; I3653-I3718 HydrophobicContact CD1-CD1 4.04Å |
| 3654 | S | 66.2 | Low | 65.3 | Low | 69 Ų | 69 | 56.3 Ų | 56.3 | 48% | 0.483 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.8 | -34.4 | -180 | 68.4 | 0 | 0 | 0 | 0 | 113 | L3650 S3651 K3652 L3656 T3657 | L3650-S3654 WeakPolarHBondContact O-CB 3.36Å; L3650-S3654 PolarHBondContact O-N 3.09Å; L3650-S3654 PolarHBondContact O-OG 3.33Å; S3651-S3654 WeakPolarHBondContact CA-OG 3.35Å; S3651-S3654 PolarHBondContact O-N 3.27Å; S3651-S3654 PolarHBondContact O-OG 3.14Å; K3652-S3654 VanDerWaalsContact C-N 3.29Å; K3652-S3654 PolarHBondContact O-N 3.11Å; S3654-L3656 VanDerWaalsContact C-N 3.31Å; S3654-L3656 PolarHBondContact O-N 3.14Å; S3654-T3657 PolarHBondContact O-N 3.22Å; S3654-T3657 PolarHBondContact O-OG1 3.03Å |
| 3655 | S | 62.6 | Low | 64.9 | Low | 59.8 Ų | 59.8 | 57.4 Ų | 57.4 | 42% | 0.418 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.4 | -26.8 | 178.6 | 74 | 0 | 0 | 0 | 0 | 113.6 | S3651 K3652 I3653 T3657 Q3877 | S3651-S3655 PolarHBondContact O-N 3.25Å; S3651-S3655 VanDerWaalsContact O-N 3.08Å; K3652-S3655 PolarHBondContact O-N 3.25Å; K3652-S3655 VanDerWaalsContact O-N 3.1Å; K3652-S3655 PolarHBondContact O-OG 3.02Å; I3653-S3655 VanDerWaalsContact C-N 3.3Å; I3653-S3655 PolarHBondContact O-N 3.08Å; S3655-T3657 VanDerWaalsContact C-N 3.28Å; S3655-T3657 PolarHBondContact O-N 3.08Å; S3655-Q3877 PolarHBondContact OG-NE2 3.45Å |
| 3656 | L | 60.8 | Low | 64.6 | Low | 105.4 Ų | 105.4 | 60.9 Ų | 60.9 | 55% | 0.552 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -76.8 | -15.2 | 178.3 | -71 | 156.5 | 0 | 0 | 0 | 112.8 | K3652 I3653 S3654 S3658 | K3652-L3656 HydrophobicContact CG-CD1 4.31Å; K3652-L3656 PolarHBondContact O-N 3.14Å; I3653-L3656 WeakPolarHBondContact O-CB 3.5Å; I3653-L3656 PolarHBondContact O-N 3.18Å; I3653-L3656 VanDerWaalsContact O-N 3.13Å; S3654-L3656 VanDerWaalsContact C-N 3.31Å; S3654-L3656 PolarHBondContact O-N 3.14Å; L3656-S3658 VanDerWaalsContact C-N 3.29Å; L3656-S3658 PolarHBondContact O-N 3.18Å |
| 3657 | T | 51.1 | Low | 64.4 | Low | 55.6 Ų | 55.6 | 60.8 Ų | 60.8 | 34% | 0.341 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 6.8 | -171.8 | 62.4 | 0 | 0 | 0 | 0 | 116 | I3653 S3654 S3655 S3659 F3665 | I3653-T3657 VanDerWaalsContact O-CG2 3.23Å; I3653-T3657 WeakPolarHBondContact O-CG2 3.45Å; S3654-T3657 PolarHBondContact O-N 3.22Å; S3654-T3657 PolarHBondContact O-OG1 3.03Å; S3655-T3657 VanDerWaalsContact C-N 3.28Å; S3655-T3657 PolarHBondContact O-N 3.08Å; T3657-S3659 CarbonylContact O-C 3.49Å; T3657-S3659 PolarHBondContact O-N 3Å; T3657-S3659 VanDerWaalsContact O-N 3.1Å; T3657-F3665 HydrophobicContact CG2-CD1 4.16Å; T3657-F3665 HydrophobicContact CG2-CE1 3.42Å; T3657-F3665 HydrophobicContact CG2-CZ 3.64Å; T3657-F3665 VanDerWaalsContact CG2-CZ 3.41Å |
| 3658 | S | 45.4 | Very low | 64.4 | Low | 119.4 Ų | 119.4 | 63.2 Ų | 63.2 | 84% | 0.835 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -11 | -177.2 | 58 | 0 | 0 | 0 | 0 | 114.6 | L3656 | L3656-S3658 VanDerWaalsContact C-N 3.29Å; L3656-S3658 PolarHBondContact O-N 3.18Å |
| 3659 | S | 41.2 | Very low | 64.4 | Low | 87.8 Ų | 87.8 | 63.6 Ų | 63.6 | 61% | 0.614 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -108.6 | 117.3 | 170.2 | 57.5 | 0 | 0 | 0 | 0 | 110.9 | T3657 H3661 | T3657-S3659 CarbonylContact O-C 3.49Å; T3657-S3659 PolarHBondContact O-N 3Å; T3657-S3659 VanDerWaalsContact O-N 3.1Å; S3659-H3661 PolarHBondContact O-N 3.26Å |
| 3660 | E | 40.4 | Very low | 64.4 | Low | 187.6 Ų | 187.6 | 66 Ų | 66 | 88% | 0.877 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 11.6 | 98.1 | 167.3 | -65.5 | -179.9 | 166.5 | 0 | 0 | 116.5 | P3662 | E3660-P3662 VanDerWaalsContact O-CD 3.29Å; E3660-P3662 WeakPolarHBondContact O-CD 3.32Å |
| 3661 | H | 45.8 | Very low | 64.6 | Low | 161 Ų | 161 | 65.7 Ų | 65.7 | 75% | 0.745 | 36% | 0.364 | S | S | * | . | trans | 16.3 | 111.7 | 170.1 | -65.8 | -64.3 | 0 | 0 | 0 | 116.9 | S3659 E3663 | S3659-H3661 PolarHBondContact O-N 3.26Å; H3661-E3663 PolarHBondContact O-N 2.97Å | ||
| 3662 | P | 53.7 | Low | 65.1 | Low | 44 Ų | 44 | 63.6 Ų | 63.6 | 29% | 0.286 | 35% | 0.349 | S | S | . | . | trans | -97.9 | 139.2 | 134 | 32.2 | -27.7 | 0 | 0 | 0 | 110 | F3389 E3660 L3664 F3665 | F3389-P3662 HydrophobicContact CE1-CG 4.35Å; F3389-P3662 HydrophobicContact CZ-CG 4.15Å; E3660-P3662 VanDerWaalsContact O-CD 3.29Å; E3660-P3662 WeakPolarHBondContact O-CD 3.32Å; P3662-L3664 WeakPolarHBondContact CB-O 3.48Å; P3662-L3664 PolarHBondContact O-N 3.27Å; P3662-L3664 VanDerWaalsContact O-N 3.11Å; P3662-F3665 HydrophobicContact CG-CD1 4.34Å; P3662-F3665 HydrophobicContact CG-CE1 3.95Å | ||
| 3663 | E | 62.5 | Low | 65.7 | Low | 110 Ų | 110 | 62.5 Ų | 62.5 | 51% | 0.514 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -63.8 | -7.6 | 173.6 | -68.7 | -176.5 | 155.8 | 0 | 0 | 113.1 | W3383 H3661 S3719 N3720 | W3383-E3663 HydrophobicContact CH2-CB 4.13Å; W3383-E3663 HydrophobicContact CH2-CG 3.89Å; W3383-E3663 VanDerWaalsContact CH2-OE2 3.25Å; W3383-E3663 WeakPolarHBondContact CH2-OE2 3.31Å; W3383-E3663 HydrophobicContact CZ3-CG 4.49Å; H3661-E3663 PolarHBondContact O-N 2.97Å; E3663-S3719 CarbonylContact O-C 3.44Å; E3663-S3719 VanDerWaalsContact O-CA 3.27Å; E3663-S3719 WeakPolarHBondContact O-CA 3.41Å; E3663-N3720 PolarHBondContact O-N 3.22Å |
| 3664 | L | 66.9 | Low | 66.4 | Low | 29.4 Ų | 29.4 | 61.7 Ų | 61.7 | 15% | 0.154 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 130.5 | -172.8 | -62.5 | 166.5 | 0 | 0 | 0 | 111.3 | Y3372 L3384 F3389 I3390 P3662 W3717 I3718 | Y3372-L3664 HydrophobicContact CE1-CD1 3.8Å; Y3372-L3664 HydrophobicContact CE1-CD2 4.21Å; L3384-L3664 HydrophobicContact CD1-CD1 4.31Å; F3389-L3664 HydrophobicContact CZ-CB 4.44Å; I3390-L3664 HydrophobicContact CD1-CD1 3.88Å; P3662-L3664 WeakPolarHBondContact CB-O 3.48Å; P3662-L3664 PolarHBondContact O-N 3.27Å; P3662-L3664 VanDerWaalsContact O-N 3.11Å; L3664-W3717 HydrophobicContact CB-CE3 3.89Å; L3664-W3717 HydrophobicContact CB-CZ3 4.49Å; L3664-W3717 HydrophobicContact CD1-CE3 4.38Å; L3664-W3717 HydrophobicContact CD2-CG 4.47Å; L3664-I3718 CarbonylContact C-O 3.56Å; L3664-I3718 WeakPolarHBondContact CA-O 3.4Å |
| 3665 | F | 72.3 | Confident | 67.4 | Low | 24.8 Ų | 24.8 | 58.4 Ų | 58.4 | 11% | 0.109 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 131.2 | 174.7 | -60.1 | -69.7 | 0 | 0 | 0 | 110.9 | I3653 T3657 P3662 W3717 I3718 N3720 C3723 | I3653-F3665 HydrophobicContact CG2-CB 4.18Å; I3653-F3665 HydrophobicContact CG2-CD1 3.5Å; I3653-F3665 VanDerWaalsContact CG2-CD1 3.43Å; I3653-F3665 HydrophobicContact CG2-CD2 3.81Å; I3653-F3665 HydrophobicContact CG2-CE1 3.59Å; I3653-F3665 HydrophobicContact CG2-CE2 3.86Å; I3653-F3665 HydrophobicContact CG2-CG 3.6Å; I3653-F3665 VanDerWaalsContact CG2-CG 3.41Å; I3653-F3665 HydrophobicContact CG2-CZ 3.76Å; I3653-F3665 VanDerWaalsContact CG2-CZ 3.49Å; T3657-F3665 HydrophobicContact CG2-CD1 4.16Å; T3657-F3665 HydrophobicContact CG2-CE1 3.42Å; T3657-F3665 HydrophobicContact CG2-CZ 3.64Å; T3657-F3665 VanDerWaalsContact CG2-CZ 3.41Å; P3662-F3665 HydrophobicContact CG-CD1 4.34Å; P3662-F3665 HydrophobicContact CG-CE1 3.95Å; F3665-W3717 CarbonylContact O-C 3.57Å; F3665-W3717 VanDerWaalsContact O-CA 3.25Å; F3665-W3717 WeakPolarHBondContact O-CA 3.34Å; F3665-W3717 WeakPolarHBondContact O-CB 3.2Å; F3665-I3718 HydrophobicContact CB-CG1 3.91Å; F3665-I3718 HydrophobicContact CD2-CG1 4.2Å; F3665-I3718 PolarHBondContact N-O 2.95Å; F3665-I3718 PolarHBondContact O-N 3.18Å; F3665-N3720 HydrophobicContact CE2-CB 4.27Å; F3665-N3720 WeakPolarHBondContact CE2-OD1 3.2Å; F3665-N3720 VanDerWaalsContact CZ-OD1 3.29Å; F3665-N3720 WeakPolarHBondContact CZ-OD1 3.33Å; F3665-C3723 VanDerWaalsContact CD2-SG 3.6Å; F3665-C3723 WeakPolarHBondContact CD2-SG 3.44Å; F3665-C3723 HydrophobicContact CE2-CB 4.49Å |
| 3666 | L | 76.9 | Confident | 68.6 | Low | 73 Ų | 73 | 55.6 Ų | 55.6 | 38% | 0.382 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 131.5 | 174.6 | -170.7 | 90.7 | 0 | 0 | 0 | 110.3 | F3389 T3715 W3717 | F3389-L3666 HydrophobicContact CB-CD1 3.95Å; F3389-L3666 HydrophobicContact CB-CD2 4.22Å; F3389-L3666 HydrophobicContact CD2-CD1 3.81Å; F3389-L3666 HydrophobicContact CE2-CD1 4.45Å; F3389-L3666 HydrophobicContact CG-CD1 3.99Å; F3389-L3666 HydrophobicContact CG-CD2 4.5Å; L3666-T3715 HydrophobicContact CD1-CG2 4.31Å; L3666-T3715 HydrophobicContact CD2-CG2 4.08Å; L3666-W3717 HydrophobicContact CB-CD2 4.43Å; L3666-W3717 HydrophobicContact CB-CE3 3.94Å; L3666-W3717 HydrophobicContact CB-CH2 4.14Å; L3666-W3717 HydrophobicContact CB-CZ3 3.8Å; L3666-W3717 VanDerWaalsContact CD1-CD1 3.44Å; L3666-W3717 HydrophobicContact CD1-CD2 4.42Å; L3666-W3717 HydrophobicContact CD1-CH2 3.79Å; L3666-W3717 HydrophobicContact CD1-CZ2 3.59Å; L3666-W3717 HydrophobicContact CD1-CZ3 4.28Å |
| 3667 | I | 79.2 | Confident | 69.8 | Low | 0.4 Ų | 0.4 | 50.6 Ų | 50.6 | 0% | 0.002 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 125.6 | 176.7 | -58 | -160.9 | 0 | 0 | 0 | 108.7 | F3649 I3653 E3671 A3672 F3675 L3706 T3715 S3716 I3718 | F3649-I3667 HydrophobicContact CE1-CD1 4.07Å; F3649-I3667 HydrophobicContact CE1-CG1 4.48Å; F3649-I3667 HydrophobicContact CZ-CD1 3.92Å; F3649-I3667 HydrophobicContact CZ-CG1 4.17Å; F3649-I3667 HydrophobicContact CZ-CG2 4.26Å; I3653-I3667 HydrophobicContact CD1-CD1 3.95Å; I3667-E3671 HydrophobicContact CG2-CB 3.99Å; I3667-A3672 HydrophobicContact CG2-CB 4.04Å; I3667-F3675 HydrophobicContact CD1-CD1 3.9Å; I3667-F3675 HydrophobicContact CD1-CE1 4.03Å; I3667-L3706 HydrophobicContact CB-CD2 4.37Å; I3667-L3706 HydrophobicContact CD1-CD2 4.08Å; I3667-L3706 HydrophobicContact CG1-CD2 4.44Å; I3667-L3706 HydrophobicContact CG2-CD2 4.19Å; I3667-T3715 WeakPolarHBondContact O-CA 3.34Å; I3667-S3716 PolarHBondContact N-O 3.19Å; I3667-S3716 PolarHBondContact O-N 3.06Å; I3667-I3718 HydrophobicContact CD1-CB 4.11Å; I3667-I3718 HydrophobicContact CD1-CD1 3.46Å; I3667-I3718 HydrophobicContact CD1-CG1 3.73Å; I3667-I3718 VanDerWaalsContact CD1-CG1 3.46Å; I3667-I3718 HydrophobicContact CG1-CD1 4.41Å; I3667-I3718 HydrophobicContact CG1-CG1 4.32Å; I3667-I3718 HydrophobicContact CG1-CG2 4.1Å |
| 3668 | Q | 80.3 | Confident | 71.5 | Confident | 85 Ų | 85 | 47.9 Ų | 47.9 | 40% | 0.397 | 26% | 0.255 | S | S | . | . | trans | -71.3 | 150.8 | 177.1 | -65.5 | -79.9 | -8.1 | 0 | 0 | 110.7 | I3670 E3671 A3672 D3878 | Q3668-I3670 VanDerWaalsContact C-N 3.26Å; Q3668-I3670 PolarHBondContact O-N 3.15Å; Q3668-I3670 VanDerWaalsContact O-N 3.14Å; Q3668-E3671 HydrophobicContact CB-CG 4.33Å; Q3668-E3671 PolarHBondContact N-OE2 3.25Å; Q3668-E3671 PolarHBondContact O-N 3.16Å; Q3668-A3672 PolarHBondContact O-N 3.32Å; Q3668-D3878 PolarHBondContact NE2-OD2 2.84Å | ||
| 3669 | P | 74.9 | Confident | 73.4 | Confident | 17.8 Ų | 17.8 | 42.6 Ų | 42.6 | 12% | 0.116 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.2 | -38.9 | -178.6 | -9.8 | 12.9 | 0 | 0 | 0 | 113.2 | E3671 A3672 L3713 | P3669-E3671 VanDerWaalsContact C-N 3.31Å; P3669-E3671 PolarHBondContact O-N 3.15Å; P3669-A3672 PolarHBondContact O-N 3.25Å; P3669-A3672 VanDerWaalsContact O-N 3.16Å; P3669-L3713 HydrophobicContact CB-CD2 4.28Å; P3669-L3713 VanDerWaalsContact CG-C 3.49Å; P3669-L3713 HydrophobicContact CG-CD2 4.47Å |
| 3670 | I | 79.2 | Confident | 75.4 | Confident | 53.6 Ų | 53.6 | 39.4 Ų | 39.4 | 28% | 0.275 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.1 | -29.8 | 178.2 | -63.8 | 168.2 | 0 | 0 | 0 | 112.1 | W3590 V3593 N3594 Q3668 P3674 | W3590-I3670 VanDerWaalsContact CD1-CG2 3.49Å; W3590-I3670 VanDerWaalsContact NE1-CG2 3.29Å; V3593-I3670 HydrophobicContact CG1-CG1 4.31Å; N3594-I3670 VanDerWaalsContact OD1-CG2 3.31Å; N3594-I3670 WeakPolarHBondContact OD1-CG2 3.37Å; Q3668-I3670 VanDerWaalsContact C-N 3.26Å; Q3668-I3670 PolarHBondContact O-N 3.15Å; Q3668-I3670 VanDerWaalsContact O-N 3.14Å; I3670-P3674 VanDerWaalsContact O-CD 3.26Å; I3670-P3674 WeakPolarHBondContact O-CD 3.21Å; I3670-P3674 VanDerWaalsContact O-CG 3.31Å; I3670-P3674 WeakPolarHBondContact O-CG 3.35Å |
| 3671 | E | 80.9 | Confident | 77.4 | Confident | 12.6 Ų | 12.6 | 31.2 Ų | 31.2 | 6% | 0.059 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -92.2 | -22.9 | 179 | -60.7 | 176.1 | 141.6 | 0 | 0 | 112.2 | Y3645 F3649 K3652 I3667 Q3668 P3669 P3674 F3675 | Y3645-E3671 PolarHBondContact OH-O 3.14Å; Y3645-E3671 VanDerWaalsContact OH-O 3.1Å; F3649-E3671 HydrophobicContact CE2-CB 3.95Å; F3649-E3671 HydrophobicContact CE2-CG 4.15Å; F3649-E3671 WeakPolarHBondContact CE2-OE2 3.37Å; F3649-E3671 HydrophobicContact CZ-CB 4.27Å; K3652-E3671 IonicContact NZ-OE1 3.46Å; K3652-E3671 PolarHBondContact NZ-OE1 3Å; K3652-E3671 IonicContact NZ-OE2 3.27Å; I3667-E3671 HydrophobicContact CG2-CB 3.99Å; Q3668-E3671 HydrophobicContact CB-CG 4.33Å; Q3668-E3671 PolarHBondContact N-OE2 3.25Å; Q3668-E3671 PolarHBondContact O-N 3.16Å; P3669-E3671 VanDerWaalsContact C-N 3.31Å; P3669-E3671 PolarHBondContact O-N 3.15Å; E3671-P3674 WeakPolarHBondContact O-CD 3.35Å; E3671-F3675 VanDerWaalsContact O-CB 3.28Å; E3671-F3675 WeakPolarHBondContact O-CB 3.29Å; E3671-F3675 PolarHBondContact O-N 3.11Å; E3671-F3675 VanDerWaalsContact O-N 3.1Å |
| 3672 | A | 84.5 | Confident | 79.1 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.7 | -47.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I3667 Q3668 P3669 F3675 A3676 L3706 | I3667-A3672 HydrophobicContact CG2-CB 4.04Å; Q3668-A3672 PolarHBondContact O-N 3.32Å; P3669-A3672 PolarHBondContact O-N 3.25Å; P3669-A3672 VanDerWaalsContact O-N 3.16Å; A3672-F3675 PolarHBondContact O-N 3.22Å; A3672-A3676 WeakPolarHBondContact O-CB 3.41Å; A3672-A3676 PolarHBondContact O-N 3.1Å; A3672-L3706 HydrophobicContact CB-CB 4.36Å; A3672-L3706 HydrophobicContact CB-CD2 3.92Å |
| 3673 | A | 84.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.2 | -44.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L3578 A3589 V3593 F3675 A3676 S3677 W3707 S3710 | L3578-A3673 HydrophobicContact CD2-CB 3.75Å; A3589-A3673 HydrophobicContact CB-CB 3.84Å; A3589-A3673 WeakPolarHBondContact CB-O 3.31Å; V3593-A3673 HydrophobicContact CG2-CB 3.41Å; V3593-A3673 VanDerWaalsContact CG2-CB 3.44Å; A3673-F3675 VanDerWaalsContact C-N 3.27Å; A3673-F3675 PolarHBondContact O-N 3.07Å; A3673-A3676 PolarHBondContact O-N 3.06Å; A3673-S3677 WeakPolarHBondContact O-CB 3.35Å; A3673-S3677 PolarHBondContact O-N 3.15Å; A3673-W3707 HydrophobicContact CB-CE3 4.13Å; A3673-W3707 HydrophobicContact CB-CZ3 3.84Å; A3673-S3710 WeakPolarHBondContact CB-OG 3.28Å |
| 3674 | P | 84.5 | Confident | 81 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.7 | -37.3 | 174.6 | -26.7 | 37.6 | 0 | 0 | 0 | 112.8 | P3586 A3589 W3590 Y3645 I3670 E3671 S3678 I3882 | P3586-P3674 HydrophobicContact CB-CB 3.88Å; P3586-P3674 WeakPolarHBondContact O-CB 3.22Å; P3586-P3674 WeakPolarHBondContact O-CG 3.17Å; A3589-P3674 HydrophobicContact CB-CG 4.42Å; W3590-P3674 HydrophobicContact CB-CG 3.61Å; W3590-P3674 HydrophobicContact CG-CG 4.3Å; Y3645-P3674 HydrophobicContact CD2-CB 4.3Å; Y3645-P3674 HydrophobicContact CE1-CB 4.16Å; Y3645-P3674 HydrophobicContact CE2-CB 3.66Å; I3670-P3674 VanDerWaalsContact O-CD 3.26Å; I3670-P3674 WeakPolarHBondContact O-CD 3.21Å; I3670-P3674 VanDerWaalsContact O-CG 3.31Å; I3670-P3674 WeakPolarHBondContact O-CG 3.35Å; E3671-P3674 WeakPolarHBondContact O-CD 3.35Å; P3674-S3678 WeakPolarHBondContact O-CB 3.46Å; P3674-S3678 PolarHBondContact O-N 3.05Å; P3674-S3678 PolarHBondContact O-OG 3.02Å; P3674-I3882 HydrophobicContact CB-CD1 4.09Å; P3674-I3882 HydrophobicContact CG-CD1 3.93Å |
| 3675 | F | 88 | Confident | 81.5 | Confident | 0.2 Ų | 0.2 | 21.9 Ų | 21.9 | 0% | 0.001 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.9 | -45.2 | 176.1 | -169.1 | -137.1 | 0 | 0 | 0 | 111.9 | Y3645 L3646 F3649 L3650 I3667 E3671 A3672 A3673 S3677 S3678 I3679 L3706 I3718 I3726 | Y3645-F3675 HydrophobicContact CE1-CB 3.92Å; Y3645-F3675 HydrophobicContact CE1-CD2 4.18Å; Y3645-F3675 HydrophobicContact CE1-CG 4.44Å; L3646-F3675 HydrophobicContact CD2-CD2 3.5Å; L3646-F3675 VanDerWaalsContact CD2-CD2 3.47Å; L3646-F3675 HydrophobicContact CD2-CE2 3.33Å; L3646-F3675 VanDerWaalsContact CD2-CE2 3.46Å; L3646-F3675 HydrophobicContact CD2-CZ 4.23Å; F3649-F3675 HydrophobicContact CD1-CD1 4.25Å; F3649-F3675 AromaticContact CD1-CD2 3.54Å; F3649-F3675 HydrophobicContact CD1-CD2 3.78Å; F3649-F3675 VanDerWaalsContact CD1-CD2 3.41Å; F3649-F3675 HydrophobicContact CD1-CE1 4.24Å; F3649-F3675 AromaticContact CD1-CE2 3.57Å; F3649-F3675 HydrophobicContact CD1-CE2 3.81Å; F3649-F3675 VanDerWaalsContact CD1-CE2 3.42Å; F3649-F3675 HydrophobicContact CD1-CG 4.2Å; F3649-F3675 HydrophobicContact CD1-CZ 4.23Å; F3649-F3675 HydrophobicContact CE1-CB 4.31Å; F3649-F3675 AromaticContact CE1-CD1 3.65Å; F3649-F3675 HydrophobicContact CE1-CD1 3.85Å; F3649-F3675 AromaticContact CE1-CD2 3.71Å; F3649-F3675 HydrophobicContact CE1-CD2 3.98Å; F3649-F3675 AromaticContact CE1-CE1 3.69Å; F3649-F3675 HydrophobicContact CE1-CE1 3.69Å; F3649-F3675 VanDerWaalsContact CE1-CE1 3.43Å; F3649-F3675 AromaticContact CE1-CE2 3.64Å; F3649-F3675 HydrophobicContact CE1-CE2 4.06Å; F3649-F3675 AromaticContact CE1-CG 3.87Å; F3649-F3675 HydrophobicContact CE1-CG 3.98Å; F3649-F3675 AromaticContact CE1-CZ 3.97Å; F3649-F3675 HydrophobicContact CE1-CZ 4.11Å; F3649-F3675 HydrophobicContact CG-CD2 4.32Å; F3649-F3675 HydrophobicContact CZ-CD1 4.31Å; F3649-F3675 HydrophobicContact CZ-CE1 4.46Å; L3650-F3675 HydrophobicContact CD2-CE2 4.3Å; L3650-F3675 HydrophobicContact CD2-CZ 4.36Å; I3667-F3675 HydrophobicContact CD1-CD1 3.9Å; I3667-F3675 HydrophobicContact CD1-CE1 4.03Å; E3671-F3675 VanDerWaalsContact O-CB 3.28Å; E3671-F3675 WeakPolarHBondContact O-CB 3.29Å; E3671-F3675 PolarHBondContact O-N 3.11Å; E3671-F3675 VanDerWaalsContact O-N 3.1Å; A3672-F3675 PolarHBondContact O-N 3.22Å; A3673-F3675 VanDerWaalsContact C-N 3.27Å; A3673-F3675 PolarHBondContact O-N 3.07Å; F3675-S3677 PolarHBondContact O-N 2.98Å; F3675-S3678 WeakPolarHBondContact O-CB 3.28Å; F3675-S3678 PolarHBondContact O-N 3.25Å; F3675-S3678 VanDerWaalsContact O-N 3.13Å; F3675-I3679 HydrophobicContact CD1-CD1 4.03Å; F3675-I3679 HydrophobicContact CD2-CD1 4.12Å; F3675-I3679 HydrophobicContact CD2-CG1 4.24Å; F3675-I3679 HydrophobicContact CE1-CD1 3.89Å; F3675-I3679 HydrophobicContact CE1-CG1 4.48Å; F3675-I3679 HydrophobicContact CE2-CD1 4.02Å; F3675-I3679 HydrophobicContact CE2-CG1 4.17Å; F3675-I3679 HydrophobicContact CG-CD1 4.4Å; F3675-I3679 HydrophobicContact CZ-CD1 4.27Å; F3675-I3679 WeakPolarHBondContact O-CG1 3.34Å; F3675-I3679 PolarHBondContact O-N 3.15Å; F3675-L3706 HydrophobicContact CB-CD1 4.34Å; F3675-L3706 HydrophobicContact CD1-CD1 3.53Å; F3675-L3706 VanDerWaalsContact CD1-CD1 3.49Å; F3675-L3706 HydrophobicContact CD1-CD2 4.25Å; F3675-L3706 HydrophobicContact CD1-CG 4.44Å; F3675-L3706 HydrophobicContact CE1-CD1 4.12Å; F3675-L3706 HydrophobicContact CG-CD1 4.04Å; F3675-I3718 HydrophobicContact CD1-CD1 3.86Å; F3675-I3718 HydrophobicContact CE1-CD1 3.34Å; F3675-I3718 HydrophobicContact CE1-CG2 4.11Å; F3675-I3718 HydrophobicContact CZ-CD1 4.08Å; F3675-I3726 HydrophobicContact CE1-CD1 3.98Å; F3675-I3726 VanDerWaalsContact CE1-CD1 3.45Å; F3675-I3726 HydrophobicContact CE2-CD1 3.95Å; F3675-I3726 HydrophobicContact CE2-CG2 4.27Å; F3675-I3726 HydrophobicContact CZ-CD1 3.43Å; F3675-I3726 VanDerWaalsContact CZ-CD1 3.43Å; F3675-I3726 HydrophobicContact CZ-CG2 4.34Å |
| 3676 | A | 86.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.7 | -49.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | A3672 A3673 S3678 I3679 Q3680 E3703 L3706 W3707 | A3672-A3676 WeakPolarHBondContact O-CB 3.41Å; A3672-A3676 PolarHBondContact O-N 3.1Å; A3673-A3676 PolarHBondContact O-N 3.06Å; A3676-S3678 VanDerWaalsContact C-N 3.25Å; A3676-S3678 PolarHBondContact O-N 3.3Å; A3676-I3679 PolarHBondContact O-N 3.28Å; A3676-Q3680 WeakPolarHBondContact O-CB 3.3Å; A3676-Q3680 PolarHBondContact O-N 3.21Å; A3676-E3703 HydrophobicContact CB-CG 4.18Å; A3676-E3703 WeakPolarHBondContact O-CG 3.3Å; A3676-L3706 HydrophobicContact CB-CB 3.71Å; A3676-L3706 HydrophobicContact CB-CD1 4.37Å; A3676-W3707 HydrophobicContact CB-CD2 3.69Å; A3676-W3707 HydrophobicContact CB-CE3 4.29Å; A3676-W3707 HydrophobicContact CB-CG 3.9Å; A3676-W3707 HydrophobicContact CB-CZ2 4.08Å |
| 3677 | S | 86.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.8 | -38.7 | 175.8 | -171.9 | 0 | 0 | 0 | 0 | 111.9 | L3583 G3585 A3673 F3675 Q3680 N3681 | L3583-S3677 PolarHBondContact O-OG 3.13Å; G3585-S3677 VanDerWaalsContact C-OG 3.23Å; G3585-S3677 VanDerWaalsContact CA-OG 3.3Å; G3585-S3677 WeakPolarHBondContact CA-OG 3.33Å; G3585-S3677 PolarHBondContact N-OG 3.16Å; G3585-S3677 VanDerWaalsContact N-OG 3.12Å; G3585-S3677 PolarHBondContact O-OG 3.21Å; A3673-S3677 WeakPolarHBondContact O-CB 3.35Å; A3673-S3677 PolarHBondContact O-N 3.15Å; F3675-S3677 PolarHBondContact O-N 2.98Å; S3677-Q3680 PolarHBondContact O-N 3.33Å; S3677-N3681 WeakPolarHBondContact O-CB 3.25Å; S3677-N3681 VanDerWaalsContact O-CG 3.29Å; S3677-N3681 PolarHBondContact O-N 3.11Å; S3677-N3681 PolarHBondContact O-ND2 3.38Å; S3677-N3681 VanDerWaalsContact O-ND2 3.12Å |
| 3678 | S | 87.4 | Confident | 80.1 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.6 | -44.2 | 178 | -59.3 | 0 | 0 | 0 | 0 | 112.7 | S3642 Y3645 P3674 F3675 A3676 Q3680 N3681 I3682 | S3642-S3678 WeakPolarHBondContact OG-CA 3.41Å; Y3645-S3678 WeakPolarHBondContact CD1-OG 3.19Å; P3674-S3678 WeakPolarHBondContact O-CB 3.46Å; P3674-S3678 PolarHBondContact O-N 3.05Å; P3674-S3678 PolarHBondContact O-OG 3.02Å; F3675-S3678 WeakPolarHBondContact O-CB 3.28Å; F3675-S3678 PolarHBondContact O-N 3.25Å; F3675-S3678 VanDerWaalsContact O-N 3.13Å; A3676-S3678 VanDerWaalsContact C-N 3.25Å; A3676-S3678 PolarHBondContact O-N 3.3Å; S3678-Q3680 VanDerWaalsContact C-N 3.34Å; S3678-N3681 PolarHBondContact O-N 3.44Å; S3678-I3682 WeakPolarHBondContact O-CB 3.12Å; S3678-I3682 WeakPolarHBondContact O-CD1 3.36Å; S3678-I3682 VanDerWaalsContact O-CG1 3.26Å; S3678-I3682 WeakPolarHBondContact O-CG1 3.36Å; S3678-I3682 PolarHBondContact O-N 3Å; S3678-I3682 VanDerWaalsContact O-N 3.14Å |
| 3679 | I | 85.5 | Confident | 78.8 | Confident | 6.6 Ų | 6.6 | 29.1 Ų | 29.1 | 3% | 0.034 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.2 | -50 | 173.9 | -65.9 | 163.6 | 0 | 0 | 0 | 109.7 | F3675 A3676 N3681 I3682 L3683 L3699 E3703 L3706 I3726 | F3675-I3679 HydrophobicContact CD1-CD1 4.03Å; F3675-I3679 HydrophobicContact CD2-CD1 4.12Å; F3675-I3679 HydrophobicContact CD2-CG1 4.24Å; F3675-I3679 HydrophobicContact CE1-CD1 3.89Å; F3675-I3679 HydrophobicContact CE1-CG1 4.48Å; F3675-I3679 HydrophobicContact CE2-CD1 4.02Å; F3675-I3679 HydrophobicContact CE2-CG1 4.17Å; F3675-I3679 HydrophobicContact CG-CD1 4.4Å; F3675-I3679 HydrophobicContact CZ-CD1 4.27Å; F3675-I3679 WeakPolarHBondContact O-CG1 3.34Å; F3675-I3679 PolarHBondContact O-N 3.15Å; A3676-I3679 PolarHBondContact O-N 3.28Å; I3679-N3681 PolarHBondContact O-N 3.08Å; I3679-I3682 PolarHBondContact O-N 3.27Å; I3679-L3683 HydrophobicContact CG2-CD1 3.67Å; I3679-L3683 HydrophobicContact CG2-CG 4.22Å; I3679-L3683 WeakPolarHBondContact O-CB 3.36Å; I3679-L3683 VanDerWaalsContact O-CG 3.31Å; I3679-L3683 WeakPolarHBondContact O-CG 3.25Å; I3679-L3683 PolarHBondContact O-N 3.12Å; I3679-L3699 HydrophobicContact CG2-CB 4.42Å; I3679-E3703 HydrophobicContact CB-CB 4.42Å; I3679-E3703 HydrophobicContact CB-CG 4.42Å; I3679-E3703 HydrophobicContact CG2-CB 4.16Å; I3679-E3703 HydrophobicContact CG2-CG 4.36Å; I3679-L3706 HydrophobicContact CD1-CD1 3.86Å; I3679-I3726 HydrophobicContact CD1-CD1 3.77Å; I3679-I3726 HydrophobicContact CD1-CG1 4.36Å; I3679-I3726 HydrophobicContact CG1-CD1 4.21Å; I3679-I3726 HydrophobicContact CG1-CG1 4.38Å; I3679-I3726 HydrophobicContact CG1-CG2 4.42Å |
| 3680 | Q | 83.4 | Confident | 77.7 | Confident | 21.6 Ų | 21.6 | 31.2 Ų | 31.2 | 10% | 0.101 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.7 | -48.1 | -178.1 | -164.1 | -171.8 | 47.7 | 0 | 0 | 112.4 | G3581 A3676 S3677 S3678 I3682 L3683 K3684 E3703 | G3581-Q3680 PolarHBondContact O-NE2 3Å; G3581-Q3680 PolarHBondContact O-OE1 3.22Å; A3676-Q3680 WeakPolarHBondContact O-CB 3.3Å; A3676-Q3680 PolarHBondContact O-N 3.21Å; S3677-Q3680 PolarHBondContact O-N 3.33Å; S3678-Q3680 VanDerWaalsContact C-N 3.34Å; Q3680-I3682 VanDerWaalsContact C-N 3.34Å; Q3680-I3682 PolarHBondContact O-N 3.09Å; Q3680-L3683 PolarHBondContact O-N 3.11Å; Q3680-K3684 VanDerWaalsContact CD-NZ 3.26Å; Q3680-K3684 HydrophobicContact CG-CD 4.25Å; Q3680-K3684 WeakPolarHBondContact O-CB 3.47Å; Q3680-K3684 VanDerWaalsContact O-CG 3.26Å; Q3680-K3684 WeakPolarHBondContact O-CG 3.4Å; Q3680-K3684 PolarHBondContact O-N 3.21Å; Q3680-E3703 WeakPolarHBondContact CA-OE2 3.46Å; Q3680-E3703 VanDerWaalsContact CB-CD 3.45Å; Q3680-E3703 HydrophobicContact CB-CG 4.29Å; Q3680-E3703 VanDerWaalsContact CB-OE1 3.27Å; Q3680-E3703 WeakPolarHBondContact CB-OE1 3.25Å; Q3680-E3703 WeakPolarHBondContact CB-OE2 3.3Å; Q3680-E3703 VanDerWaalsContact CD-OE1 3.31Å; Q3680-E3703 VanDerWaalsContact CG-OE1 3.26Å; Q3680-E3703 WeakPolarHBondContact CG-OE1 3.36Å; Q3680-E3703 WeakPolarHBondContact CG-OE2 3.34Å; Q3680-E3703 PolarHBondContact NE2-OE1 3.35Å |
| 3681 | N | 81.7 | Confident | 76.3 | Confident | 15.6 Ų | 15.6 | 34.4 Ų | 34.4 | 8% | 0.083 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.9 | -40.5 | -179.1 | -77 | -20 | 0 | 0 | 0 | 112.1 | G3585 S3642 S3677 S3678 I3679 F3685 | G3585-N3681 WeakPolarHBondContact CA-ND2 3.12Å; G3585-N3681 PolarHBondContact N-ND2 3.02Å; S3642-N3681 WeakPolarHBondContact OG-CB 3.21Å; S3642-N3681 PolarHBondContact OG-ND2 3.31Å; S3642-N3681 VanDerWaalsContact OG-ND2 3.1Å; S3677-N3681 WeakPolarHBondContact O-CB 3.25Å; S3677-N3681 VanDerWaalsContact O-CG 3.29Å; S3677-N3681 PolarHBondContact O-N 3.11Å; S3677-N3681 PolarHBondContact O-ND2 3.38Å; S3677-N3681 VanDerWaalsContact O-ND2 3.12Å; S3678-N3681 PolarHBondContact O-N 3.44Å; I3679-N3681 PolarHBondContact O-N 3.08Å; N3681-F3685 VanDerWaalsContact O-CB 3.28Å; N3681-F3685 WeakPolarHBondContact O-CB 3.33Å; N3681-F3685 PolarHBondContact O-N 3.09Å |
| 3682 | I | 81.5 | Confident | 74.8 | Confident | 1.6 Ų | 1.6 | 42.9 Ų | 42.9 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -73.6 | -37.5 | -179.2 | -66.1 | 167.9 | 0 | 0 | 0 | 110.7 | L3643 L3646 S3678 I3679 Q3680 F3685 T3686 V3729 A3733 | L3643-I3682 HydrophobicContact CD2-CD1 3.66Å; L3643-I3682 HydrophobicContact CD2-CG1 4.21Å; L3643-I3682 HydrophobicContact CG-CD1 4.1Å; L3643-I3682 HydrophobicContact CG-CG1 4.35Å; L3646-I3682 HydrophobicContact CD1-CD1 3.27Å; L3646-I3682 HydrophobicContact CG-CD1 4.08Å; S3678-I3682 WeakPolarHBondContact O-CB 3.12Å; S3678-I3682 WeakPolarHBondContact O-CD1 3.36Å; S3678-I3682 VanDerWaalsContact O-CG1 3.26Å; S3678-I3682 WeakPolarHBondContact O-CG1 3.36Å; S3678-I3682 PolarHBondContact O-N 3Å; S3678-I3682 VanDerWaalsContact O-N 3.14Å; I3679-I3682 PolarHBondContact O-N 3.27Å; Q3680-I3682 VanDerWaalsContact C-N 3.34Å; Q3680-I3682 PolarHBondContact O-N 3.09Å; I3682-F3685 PolarHBondContact O-N 3.17Å; I3682-T3686 HydrophobicContact CG2-CG2 4.28Å; I3682-T3686 WeakPolarHBondContact O-CB 3.34Å; I3682-T3686 WeakPolarHBondContact O-CG2 3.33Å; I3682-T3686 PolarHBondContact O-N 3.13Å; I3682-T3686 PolarHBondContact O-OG1 2.96Å; I3682-V3729 HydrophobicContact CB-CG1 4.47Å; I3682-V3729 HydrophobicContact CG2-CB 4.37Å; I3682-V3729 HydrophobicContact CG2-CG1 3.55Å; I3682-V3729 VanDerWaalsContact CG2-CG1 3.48Å; I3682-A3733 HydrophobicContact CG2-CB 3.61Å; I3682-A3733 VanDerWaalsContact CG2-CB 3.47Å |
| 3683 | L | 78.8 | Confident | 73.3 | Confident | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.3 | -48.5 | 172.2 | -73.5 | 175 | 0 | 0 | 0 | 111.4 | I3679 Q3680 F3685 T3686 H3687 I3690 F3696 L3699 M3700 V3729 | I3679-L3683 HydrophobicContact CG2-CD1 3.67Å; I3679-L3683 HydrophobicContact CG2-CG 4.22Å; I3679-L3683 WeakPolarHBondContact O-CB 3.36Å; I3679-L3683 VanDerWaalsContact O-CG 3.31Å; I3679-L3683 WeakPolarHBondContact O-CG 3.25Å; I3679-L3683 PolarHBondContact O-N 3.12Å; Q3680-L3683 PolarHBondContact O-N 3.11Å; L3683-F3685 VanDerWaalsContact C-N 3.26Å; L3683-F3685 PolarHBondContact O-N 3.06Å; L3683-T3686 PolarHBondContact O-N 3.02Å; L3683-T3686 PolarHBondContact O-OG1 3.2Å; L3683-H3687 WeakPolarHBondContact O-CB 3.34Å; L3683-H3687 PolarHBondContact O-N 3.25Å; L3683-I3690 HydrophobicContact CB-CD1 4.4Å; L3683-I3690 HydrophobicContact CB-CG1 4.41Å; L3683-I3690 HydrophobicContact CB-CG2 4.23Å; L3683-I3690 HydrophobicContact CD1-CG2 4.23Å; L3683-F3696 HydrophobicContact CD2-CB 4.29Å; L3683-F3696 HydrophobicContact CD2-CD1 3.93Å; L3683-F3696 HydrophobicContact CD2-CE1 3.99Å; L3683-F3696 HydrophobicContact CD2-CG 4.32Å; L3683-L3699 HydrophobicContact CD1-CB 4.27Å; L3683-L3699 HydrophobicContact CD2-CD1 4.32Å; L3683-M3700 HydrophobicContact CD1-CE 3.93Å; L3683-M3700 HydrophobicContact CD1-CG 4.43Å; L3683-M3700 HydrophobicContact CD1-SD 3.67Å; L3683-M3700 VanDerWaalsContact CD1-SD 3.52Å; L3683-V3729 HydrophobicContact CD2-CG1 4.11Å; L3683-V3729 HydrophobicContact CD2-CG2 4.19Å; L3683-V3729 HydrophobicContact CG-CG1 4.4Å |
| 3684 | K | 77.1 | Confident | 71.8 | Confident | 99.2 Ų | 99.2 | 49.9 Ų | 49.9 | 43% | 0.431 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.6 | -36.6 | 174.3 | -76.3 | 171.9 | -178.8 | 169.6 | 0 | 112.6 | Q3680 I3690 | Q3680-K3684 VanDerWaalsContact CD-NZ 3.26Å; Q3680-K3684 HydrophobicContact CG-CD 4.25Å; Q3680-K3684 WeakPolarHBondContact O-CB 3.47Å; Q3680-K3684 VanDerWaalsContact O-CG 3.26Å; Q3680-K3684 WeakPolarHBondContact O-CG 3.4Å; Q3680-K3684 PolarHBondContact O-N 3.21Å; K3684-I3690 HydrophobicContact CB-CD1 4.24Å; K3684-I3690 HydrophobicContact CD-CD1 4.32Å; K3684-I3690 HydrophobicContact CG-CD1 3.58Å; K3684-I3690 VanDerWaalsContact CG-CD1 3.46Å; K3684-I3690 HydrophobicContact CG-CG1 4.15Å |
| 3685 | F | 77.7 | Confident | 70.5 | Confident | 41.6 Ų | 41.6 | 53.2 Ų | 53.2 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -74.6 | -42.5 | 179.8 | 176.8 | -111.8 | 0 | 0 | 0 | 113.3 | P3635 I3639 N3681 I3682 L3683 A3733 I3736 I3737 | P3635-F3685 HydrophobicContact CB-CE2 4.39Å; P3635-F3685 HydrophobicContact CB-CZ 4.5Å; I3639-F3685 HydrophobicContact CD1-CB 3.81Å; I3639-F3685 HydrophobicContact CD1-CD2 3.3Å; I3639-F3685 VanDerWaalsContact CD1-CD2 3.5Å; I3639-F3685 HydrophobicContact CD1-CE2 3.98Å; I3639-F3685 HydrophobicContact CD1-CG 3.7Å; I3639-F3685 HydrophobicContact CG1-CB 4.27Å; I3639-F3685 HydrophobicContact CG1-CD2 4.35Å; I3639-F3685 HydrophobicContact CG1-CG 4.34Å; I3639-F3685 HydrophobicContact CG2-CB 4.27Å; I3639-F3685 HydrophobicContact CG2-CD1 4.05Å; I3639-F3685 HydrophobicContact CG2-CD2 4.33Å; I3639-F3685 HydrophobicContact CG2-CE1 4.43Å; I3639-F3685 HydrophobicContact CG2-CG 3.98Å; N3681-F3685 VanDerWaalsContact O-CB 3.28Å; N3681-F3685 WeakPolarHBondContact O-CB 3.33Å; N3681-F3685 PolarHBondContact O-N 3.09Å; I3682-F3685 PolarHBondContact O-N 3.17Å; L3683-F3685 VanDerWaalsContact C-N 3.26Å; L3683-F3685 PolarHBondContact O-N 3.06Å; F3685-A3733 HydrophobicContact CD1-CB 4.13Å; F3685-A3733 HydrophobicContact CE1-CB 4.35Å; F3685-I3736 HydrophobicContact CE1-CB 4.06Å; F3685-I3736 HydrophobicContact CE1-CG2 3.82Å; F3685-I3736 HydrophobicContact CZ-CB 4.35Å; F3685-I3736 HydrophobicContact CZ-CG2 3.7Å; F3685-I3737 HydrophobicContact CE1-CD1 4.09Å; F3685-I3737 HydrophobicContact CE1-CG1 3.65Å; F3685-I3737 HydrophobicContact CZ-CD1 4.25Å; F3685-I3737 HydrophobicContact CZ-CG1 3.57Å |
| 3686 | T | 73.7 | Confident | 69.4 | Low | 20 Ų | 20 | 54.2 Ų | 54.2 | 12% | 0.123 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -78.9 | -28.9 | -177 | 50 | 0 | 0 | 0 | 0 | 112.4 | I3682 L3683 V3729 K3732 A3733 I3736 | I3682-T3686 HydrophobicContact CG2-CG2 4.28Å; I3682-T3686 WeakPolarHBondContact O-CB 3.34Å; I3682-T3686 WeakPolarHBondContact O-CG2 3.33Å; I3682-T3686 PolarHBondContact O-N 3.13Å; I3682-T3686 PolarHBondContact O-OG1 2.96Å; L3683-T3686 PolarHBondContact O-N 3.02Å; L3683-T3686 PolarHBondContact O-OG1 3.2Å; T3686-V3729 HydrophobicContact CG2-CG1 4.17Å; T3686-K3732 HydrophobicContact CG2-CB 4.49Å; T3686-K3732 HydrophobicContact CG2-CG 4.45Å; T3686-A3733 HydrophobicContact CG2-CB 3.7Å; T3686-I3736 HydrophobicContact CG2-CD1 4.2Å |
| 3687 | H | 68.3 | Low | 68.3 | Low | 40 Ų | 40 | 56 Ų | 56 | 19% | 0.185 | 27% | 0.274 | C | S | . | . | trans | -133.4 | 111.1 | -176 | -66.9 | -73.2 | 0 | 0 | 0 | 110.8 | L3683 D3689 R3692 P3693 F3696 K3732 | L3683-H3687 WeakPolarHBondContact O-CB 3.34Å; L3683-H3687 PolarHBondContact O-N 3.25Å; H3687-D3689 PolarHBondContact O-N 3.1Å; H3687-R3692 PolarHBondContact ND1-O 3.34Å; H3687-R3692 VanDerWaalsContact ND1-O 3.15Å; H3687-P3693 WeakPolarHBondContact CE1-CD 3.35Å; H3687-P3693 VanDerWaalsContact ND1-CD 3.32Å; H3687-P3693 WeakPolarHBondContact ND1-CD 3.43Å; H3687-F3696 AromaticContact CD2-CE1 3.84Å; H3687-F3696 AromaticContact CD2-CE2 3.7Å; H3687-F3696 AromaticContact CD2-CZ 3.49Å; H3687-F3696 VanDerWaalsContact CD2-CZ 3.49Å; H3687-F3696 WeakPolarHBondContact CD2-CZ 3.43Å; H3687-F3696 AromaticContact CE1-CE2 3.67Å; H3687-F3696 VanDerWaalsContact CE1-CE2 3.47Å; H3687-F3696 WeakPolarHBondContact CE1-CE2 3.33Å; H3687-F3696 AromaticContact CE1-CZ 3.6Å; H3687-F3696 AromaticContact NE2-CD2 3.91Å; H3687-F3696 AromaticContact NE2-CE1 3.68Å; H3687-F3696 AromaticContact NE2-CE2 3.33Å; H3687-F3696 VanDerWaalsContact NE2-CE2 3.31Å; H3687-F3696 WeakPolarHBondContact NE2-CE2 3.38Å; H3687-F3696 AromaticContact NE2-CZ 3.24Å; H3687-F3696 WeakPolarHBondContact NE2-CZ 3.26Å; H3687-K3732 PolarHBondContact CE1-NZ 3.18Å; H3687-K3732 VanDerWaalsContact CE1-NZ 3.27Å; H3687-K3732 PolarHBondContact NE2-NZ 2.91Å; H3687-K3732 VanDerWaalsContact NE2-NZ 3.11Å | ||
| 3688 | L | 57.6 | Low | 67.4 | Low | 182.6 Ų | 182.6 | 57.9 Ų | 57.9 | 96% | 0.956 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -60.2 | -32.8 | 173.3 | -75.8 | 164.1 | 0 | 0 | 0 | 112 | ||
| 3689 | D | 52.8 | Low | 66.8 | Low | 91.6 Ų | 91.6 | 58 Ų | 58 | 49% | 0.49 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -112.1 | 100.4 | 172.7 | -123.6 | -14.6 | 0 | 0 | 0 | 109.3 | H3687 H3691 R3692 | H3687-D3689 PolarHBondContact O-N 3.1Å; D3689-H3691 PolarHBondContact O-N 3.17Å; D3689-H3691 VanDerWaalsContact O-N 3.11Å; D3689-H3691 VanDerWaalsContact OD1-CB 3.3Å; D3689-H3691 WeakPolarHBondContact OD1-CB 3.26Å; D3689-H3691 IonicContact OD1-CD2 2.96Å; D3689-H3691 PolarHBondContact OD1-CD2 3.22Å; D3689-H3691 IonicContact OD1-CG 2.69Å; D3689-H3691 PolarHBondContact OD1-N 3.15Å; D3689-H3691 VanDerWaalsContact OD1-N 3.09Å; D3689-R3692 HydrophobicContact CB-CB 4.26Å; D3689-R3692 PolarHBondContact O-N 3.24Å; D3689-R3692 VanDerWaalsContact O-O 3.04Å; D3689-R3692 IonicContact OD2-CZ 3.85Å; D3689-R3692 IonicContact OD2-NE 3.17Å; D3689-R3692 IonicContact OD2-NH1 2.91Å; D3689-R3692 PolarHBondContact OD2-NH1 3.15Å |
| 3690 | I | 51 | Low | 66.2 | Low | 61.4 Ų | 61.4 | 59.8 Ų | 59.8 | 32% | 0.315 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -18.7 | 178.7 | -55 | 168.9 | 0 | 0 | 0 | 111.6 | L3683 K3684 R3692 M3700 | L3683-I3690 HydrophobicContact CB-CD1 4.4Å; L3683-I3690 HydrophobicContact CB-CG1 4.41Å; L3683-I3690 HydrophobicContact CB-CG2 4.23Å; L3683-I3690 HydrophobicContact CD1-CG2 4.23Å; K3684-I3690 HydrophobicContact CB-CD1 4.24Å; K3684-I3690 HydrophobicContact CD-CD1 4.32Å; K3684-I3690 HydrophobicContact CG-CD1 3.58Å; K3684-I3690 VanDerWaalsContact CG-CD1 3.46Å; K3684-I3690 HydrophobicContact CG-CG1 4.15Å; I3690-R3692 VanDerWaalsContact C-N 3.31Å; I3690-R3692 PolarHBondContact O-N 3.29Å; I3690-M3700 HydrophobicContact CB-SD 4.5Å; I3690-M3700 HydrophobicContact CG2-CE 3.81Å; I3690-M3700 HydrophobicContact CG2-CG 4.11Å; I3690-M3700 HydrophobicContact CG2-SD 3.24Å; I3690-M3700 WeakPolarHBondContact CG2-SD 3.43Å |
| 3691 | H | 49.6 | Very low | 65.7 | Low | 122.8 Ų | 122.8 | 60.1 Ų | 60.1 | 57% | 0.569 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -3.5 | -176.9 | -64 | -59.4 | 0 | 0 | 0 | 115.4 | I3434 D3689 H3694 | I3434-H3691 HydrophobicContact CD1-CB 4.04Å; D3689-H3691 PolarHBondContact O-N 3.17Å; D3689-H3691 VanDerWaalsContact O-N 3.11Å; D3689-H3691 VanDerWaalsContact OD1-CB 3.3Å; D3689-H3691 WeakPolarHBondContact OD1-CB 3.26Å; D3689-H3691 IonicContact OD1-CD2 2.96Å; D3689-H3691 PolarHBondContact OD1-CD2 3.22Å; D3689-H3691 IonicContact OD1-CG 2.69Å; D3689-H3691 PolarHBondContact OD1-N 3.15Å; D3689-H3691 VanDerWaalsContact OD1-N 3.09Å; H3691-H3694 PolarHBondContact O-CE1 3.13Å; H3691-H3694 PolarHBondContact O-ND1 3.08Å |
| 3692 | R | 49.1 | Very low | 65.5 | Low | 191 Ų | 191 | 59.6 Ų | 59.6 | 72% | 0.721 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -137.2 | 73.4 | -171.6 | -77.7 | -173.2 | 173.1 | 170.7 | -1.3 | 116 | H3687 D3689 I3690 | H3687-R3692 PolarHBondContact ND1-O 3.34Å; H3687-R3692 VanDerWaalsContact ND1-O 3.15Å; D3689-R3692 HydrophobicContact CB-CB 4.26Å; D3689-R3692 PolarHBondContact O-N 3.24Å; D3689-R3692 VanDerWaalsContact O-O 3.04Å; D3689-R3692 IonicContact OD2-CZ 3.85Å; D3689-R3692 IonicContact OD2-NE 3.17Å; D3689-R3692 IonicContact OD2-NH1 2.91Å; D3689-R3692 PolarHBondContact OD2-NH1 3.15Å; I3690-R3692 VanDerWaalsContact C-N 3.31Å; I3690-R3692 PolarHBondContact O-N 3.29Å |
| 3693 | P | 53.4 | Low | 65.6 | Low | 48.4 Ų | 48.4 | 60 Ų | 60 | 31% | 0.314 | 30% | 0.296 | S | S | . | . | -117 | 143 | 84.8 | 23.8 | -12.1 | 0 | 0 | 0 | 114.1 | H3687 S3695 F3696 | H3687-P3693 WeakPolarHBondContact CE1-CD 3.35Å; H3687-P3693 VanDerWaalsContact ND1-CD 3.32Å; H3687-P3693 WeakPolarHBondContact ND1-CD 3.43Å; P3693-S3695 PolarHBondContact O-N 2.92Å; P3693-S3695 VanDerWaalsContact O-N 3.08Å; P3693-F3696 HydrophobicContact CB-CD2 3.63Å; P3693-F3696 HydrophobicContact CB-CE2 3.8Å; P3693-F3696 HydrophobicContact CG-CD2 3.56Å; P3693-F3696 VanDerWaalsContact CG-CD2 3.47Å; P3693-F3696 HydrophobicContact CG-CE2 3.58Å; P3693-F3696 VanDerWaalsContact CG-CE2 3.47Å; P3693-F3696 PolarHBondContact O-N 3.02Å; P3693-F3696 VanDerWaalsContact O-N 3.1Å | |||
| 3694 | H | 53.2 | Low | 65.6 | Low | 98.4 Ų | 98.4 | 60.5 Ų | 60.5 | 46% | 0.456 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -58.9 | -20.1 | -178.6 | -58.5 | -28 | 0 | 0 | 0 | 114.3 | I3434 E3435 H3691 F3696 H3697 | I3434-H3694 VanDerWaalsContact CG2-CE1 3.42Å; I3434-H3694 WeakPolarHBondContact CG2-CE1 3.27Å; I3434-H3694 WeakPolarHBondContact CG2-ND1 3.36Å; E3435-H3694 VanDerWaalsContact CD-CE1 3.5Å; E3435-H3694 HydrophobicContact CG-CB 4.07Å; E3435-H3694 WeakPolarHBondContact OE1-CB 3.24Å; E3435-H3694 IonicContact OE1-CD2 3.74Å; E3435-H3694 PolarHBondContact OE1-CD2 3.45Å; E3435-H3694 VanDerWaalsContact OE1-CD2 3.23Å; E3435-H3694 IonicContact OE1-CE1 2.73Å; E3435-H3694 IonicContact OE1-CG 3.06Å; E3435-H3694 IonicContact OE1-NE2 3.27Å; E3435-H3694 IonicContact OE2-CE1 3.16Å; E3435-H3694 PolarHBondContact OE2-CE1 3.31Å; E3435-H3694 IonicContact OE2-NE2 2.72Å; E3435-H3694 PolarHBondContact OE2-NE2 2.88Å; H3691-H3694 PolarHBondContact O-CE1 3.13Å; H3691-H3694 PolarHBondContact O-ND1 3.08Å; H3694-F3696 VanDerWaalsContact C-N 3.27Å; H3694-F3696 PolarHBondContact O-N 3.09Å; H3694-F3696 VanDerWaalsContact O-N 3.08Å; H3694-H3697 VanDerWaalsContact O-CB 3.29Å; H3694-H3697 WeakPolarHBondContact O-CB 3.44Å; H3694-H3697 PolarHBondContact O-N 3.17Å; H3694-H3697 VanDerWaalsContact O-N 3.17Å |
| 3695 | S | 57.8 | Low | 65.6 | Low | 67.6 Ų | 67.6 | 58.2 Ų | 58.2 | 47% | 0.473 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -61.1 | -21.1 | 176.8 | 54 | 0 | 0 | 0 | 0 | 114 | P3693 P3698 | P3693-S3695 PolarHBondContact O-N 2.92Å; P3693-S3695 VanDerWaalsContact O-N 3.08Å; S3695-P3698 WeakPolarHBondContact O-CD 3.23Å |
| 3696 | F | 63.7 | Low | 65.9 | Low | 21.6 Ų | 21.6 | 56.3 Ų | 56.3 | 10% | 0.095 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -102.4 | 2.6 | -178.1 | -57.5 | -57.3 | 0 | 0 | 0 | 114.3 | L3683 H3687 P3693 H3694 P3698 L3699 M3700 L3725 V3729 | L3683-F3696 HydrophobicContact CD2-CB 4.29Å; L3683-F3696 HydrophobicContact CD2-CD1 3.93Å; L3683-F3696 HydrophobicContact CD2-CE1 3.99Å; L3683-F3696 HydrophobicContact CD2-CG 4.32Å; H3687-F3696 AromaticContact CD2-CE1 3.84Å; H3687-F3696 AromaticContact CD2-CE2 3.7Å; H3687-F3696 AromaticContact CD2-CZ 3.49Å; H3687-F3696 VanDerWaalsContact CD2-CZ 3.49Å; H3687-F3696 WeakPolarHBondContact CD2-CZ 3.43Å; H3687-F3696 AromaticContact CE1-CE2 3.67Å; H3687-F3696 VanDerWaalsContact CE1-CE2 3.47Å; H3687-F3696 WeakPolarHBondContact CE1-CE2 3.33Å; H3687-F3696 AromaticContact CE1-CZ 3.6Å; H3687-F3696 AromaticContact NE2-CD2 3.91Å; H3687-F3696 AromaticContact NE2-CE1 3.68Å; H3687-F3696 AromaticContact NE2-CE2 3.33Å; H3687-F3696 VanDerWaalsContact NE2-CE2 3.31Å; H3687-F3696 WeakPolarHBondContact NE2-CE2 3.38Å; H3687-F3696 AromaticContact NE2-CZ 3.24Å; H3687-F3696 WeakPolarHBondContact NE2-CZ 3.26Å; P3693-F3696 HydrophobicContact CB-CD2 3.63Å; P3693-F3696 HydrophobicContact CB-CE2 3.8Å; P3693-F3696 HydrophobicContact CG-CD2 3.56Å; P3693-F3696 VanDerWaalsContact CG-CD2 3.47Å; P3693-F3696 HydrophobicContact CG-CE2 3.58Å; P3693-F3696 VanDerWaalsContact CG-CE2 3.47Å; P3693-F3696 PolarHBondContact O-N 3.02Å; P3693-F3696 VanDerWaalsContact O-N 3.1Å; H3694-F3696 VanDerWaalsContact C-N 3.27Å; H3694-F3696 PolarHBondContact O-N 3.09Å; H3694-F3696 VanDerWaalsContact O-N 3.08Å; F3696-P3698 VanDerWaalsContact C-CD 3.42Å; F3696-P3698 VanDerWaalsContact C-N 3.3Å; F3696-L3699 HydrophobicContact CB-CD1 4.3Å; F3696-L3699 HydrophobicContact CD1-CD1 3.7Å; F3696-L3699 HydrophobicContact CD1-CG 4.43Å; F3696-L3699 HydrophobicContact CE1-CD1 4.37Å; F3696-L3699 HydrophobicContact CG-CD1 4.35Å; F3696-L3699 VanDerWaalsContact O-CB 3.31Å; F3696-L3699 WeakPolarHBondContact O-CB 3.28Å; F3696-L3699 PolarHBondContact O-N 3.15Å; F3696-L3699 VanDerWaalsContact O-N 3.12Å; F3696-M3700 WeakPolarHBondContact O-CG 3.37Å; F3696-M3700 PolarHBondContact O-N 3.08Å; F3696-L3725 HydrophobicContact CD1-CD2 4.46Å; F3696-L3725 HydrophobicContact CE1-CD2 4.43Å; F3696-V3729 HydrophobicContact CD1-CG2 3.73Å; F3696-V3729 VanDerWaalsContact CD1-CG2 3.45Å; F3696-V3729 HydrophobicContact CD2-CG2 4.29Å; F3696-V3729 HydrophobicContact CE1-CG2 3.31Å; F3696-V3729 HydrophobicContact CE2-CG2 4.18Å; F3696-V3729 HydrophobicContact CG-CG2 4.09Å; F3696-V3729 HydrophobicContact CZ-CG2 3.8Å |
| 3697 | H | 64.5 | Low | 66.3 | Low | 38.6 Ų | 38.6 | 55.6 Ų | 55.6 | 18% | 0.179 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.1 | -42.6 | 173.9 | -157.3 | -44.5 | 0 | 0 | 0 | 113.1 | K3431 H3694 L3699 M3700 E3701 | K3431-H3697 WeakPolarHBondContact CD-CE1 3.33Å; K3431-H3697 VanDerWaalsContact CE-CE1 3.46Å; K3431-H3697 WeakPolarHBondContact CE-CE1 3.33Å; K3431-H3697 WeakPolarHBondContact CE-ND1 3.4Å; K3431-H3697 WeakPolarHBondContact CG-CE1 3.23Å; K3431-H3697 WeakPolarHBondContact CG-NE2 3.4Å; K3431-H3697 PolarHBondContact N-NE2 3.13Å; H3694-H3697 VanDerWaalsContact O-CB 3.29Å; H3694-H3697 WeakPolarHBondContact O-CB 3.44Å; H3694-H3697 PolarHBondContact O-N 3.17Å; H3694-H3697 VanDerWaalsContact O-N 3.17Å; H3697-L3699 VanDerWaalsContact C-N 3.27Å; H3697-L3699 PolarHBondContact O-N 3.27Å; H3697-M3700 PolarHBondContact O-N 3.23Å; H3697-M3700 VanDerWaalsContact O-N 3.14Å; H3697-E3701 IonicContact ND1-OE1 3.37Å; H3697-E3701 WeakPolarHBondContact O-CB 3.38Å; H3697-E3701 PolarHBondContact O-N 3.27Å; H3697-E3701 VanDerWaalsContact O-N 3.1Å |
| 3698 | P | 68.1 | Low | 66.8 | Low | 40 Ų | 40 | 54 Ų | 54 | 26% | 0.26 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56.7 | -39 | 174.3 | -15.8 | 22.9 | 0 | 0 | 0 | 112.2 | S3695 F3696 M3700 E3701 T3702 F3721 L3725 | S3695-P3698 WeakPolarHBondContact O-CD 3.23Å; F3696-P3698 VanDerWaalsContact C-CD 3.42Å; F3696-P3698 VanDerWaalsContact C-N 3.3Å; P3698-M3700 PolarHBondContact O-N 3.26Å; P3698-E3701 WeakPolarHBondContact O-CA 3.43Å; P3698-E3701 WeakPolarHBondContact O-CB 3.27Å; P3698-E3701 PolarHBondContact O-N 3.13Å; P3698-E3701 VanDerWaalsContact O-N 3.11Å; P3698-T3702 WeakPolarHBondContact O-CG2 3.48Å; P3698-T3702 PolarHBondContact O-N 3.15Å; P3698-T3702 PolarHBondContact O-OG1 3.37Å; P3698-F3721 HydrophobicContact CB-CE1 4.35Å; P3698-F3721 HydrophobicContact CG-CE1 4.26Å; P3698-L3725 HydrophobicContact CB-CD1 3.94Å; P3698-L3725 HydrophobicContact CG-CD1 4.1Å |
| 3699 | L | 74.4 | Confident | 67.8 | Low | 1.4 Ų | 1.4 | 45.5 Ų | 45.5 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.5 | -40.3 | 179.3 | -65.4 | 179.4 | 0 | 0 | 0 | 113.1 | I3679 L3683 F3696 H3697 E3701 T3702 E3703 L3725 I3726 V3729 | I3679-L3699 HydrophobicContact CG2-CB 4.42Å; L3683-L3699 HydrophobicContact CD1-CB 4.27Å; L3683-L3699 HydrophobicContact CD2-CD1 4.32Å; F3696-L3699 HydrophobicContact CB-CD1 4.3Å; F3696-L3699 HydrophobicContact CD1-CD1 3.7Å; F3696-L3699 HydrophobicContact CD1-CG 4.43Å; F3696-L3699 HydrophobicContact CE1-CD1 4.37Å; F3696-L3699 HydrophobicContact CG-CD1 4.35Å; F3696-L3699 VanDerWaalsContact O-CB 3.31Å; F3696-L3699 WeakPolarHBondContact O-CB 3.28Å; F3696-L3699 PolarHBondContact O-N 3.15Å; F3696-L3699 VanDerWaalsContact O-N 3.12Å; H3697-L3699 VanDerWaalsContact C-N 3.27Å; H3697-L3699 PolarHBondContact O-N 3.27Å; L3699-E3701 VanDerWaalsContact C-N 3.29Å; L3699-E3701 PolarHBondContact O-N 3.14Å; L3699-T3702 VanDerWaalsContact CA-OG1 3.24Å; L3699-T3702 WeakPolarHBondContact CA-OG1 3.42Å; L3699-T3702 PolarHBondContact O-N 3.18Å; L3699-T3702 PolarHBondContact O-OG1 3.45Å; L3699-E3703 VanDerWaalsContact O-CB 3.32Å; L3699-E3703 WeakPolarHBondContact O-CB 3.42Å; L3699-E3703 PolarHBondContact O-N 3.01Å; L3699-L3725 HydrophobicContact CD1-CB 4.17Å; L3699-L3725 HydrophobicContact CD2-CB 3.74Å; L3699-L3725 HydrophobicContact CD2-CD1 4.42Å; L3699-L3725 HydrophobicContact CG-CB 4.06Å; L3699-L3725 HydrophobicContact CG-CD1 4.44Å; L3699-I3726 HydrophobicContact CD2-CB 4.42Å; L3699-I3726 HydrophobicContact CD2-CD1 4.27Å; L3699-I3726 HydrophobicContact CD2-CG1 3.37Å; L3699-V3729 HydrophobicContact CD1-CB 4.41Å; L3699-V3729 HydrophobicContact CD1-CG2 3.57Å; L3699-V3729 VanDerWaalsContact CD1-CG2 3.46Å |
| 3700 | M | 73.6 | Confident | 69.2 | Low | 44.2 Ų | 44.2 | 41.2 Ų | 41.2 | 22% | 0.218 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.7 | -36.9 | 174.2 | -72.8 | -69 | -69.9 | 0 | 0 | 111.8 | L3683 I3690 F3696 H3697 P3698 E3703 Y3704 | L3683-M3700 HydrophobicContact CD1-CE 3.93Å; L3683-M3700 HydrophobicContact CD1-CG 4.43Å; L3683-M3700 HydrophobicContact CD1-SD 3.67Å; L3683-M3700 VanDerWaalsContact CD1-SD 3.52Å; I3690-M3700 HydrophobicContact CB-SD 4.5Å; I3690-M3700 HydrophobicContact CG2-CE 3.81Å; I3690-M3700 HydrophobicContact CG2-CG 4.11Å; I3690-M3700 HydrophobicContact CG2-SD 3.24Å; I3690-M3700 WeakPolarHBondContact CG2-SD 3.43Å; F3696-M3700 WeakPolarHBondContact O-CG 3.37Å; F3696-M3700 PolarHBondContact O-N 3.08Å; H3697-M3700 PolarHBondContact O-N 3.23Å; H3697-M3700 VanDerWaalsContact O-N 3.14Å; P3698-M3700 PolarHBondContact O-N 3.26Å; M3700-E3703 WeakPolarHBondContact O-CB 3.45Å; M3700-E3703 PolarHBondContact O-N 3.5Å; M3700-Y3704 HydrophobicContact CB-CE2 4.35Å; M3700-Y3704 HydrophobicContact CE-CE2 4.16Å; M3700-Y3704 VanDerWaalsContact O-CB 3.31Å; M3700-Y3704 WeakPolarHBondContact O-CB 3.38Å; M3700-Y3704 WeakPolarHBondContact O-CD2 3.46Å; M3700-Y3704 PolarHBondContact O-N 2.94Å; M3700-Y3704 VanDerWaalsContact O-N 3.1Å |
| 3701 | E | 72.9 | Confident | 70.6 | Confident | 29.4 Ų | 29.4 | 38.3 Ų | 38.3 | 14% | 0.137 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.4 | -44.6 | 175.6 | -168.4 | 164 | -128.8 | 0 | 0 | 111.8 | K3368 K3431 H3697 P3698 L3699 E3703 Y3704 H3705 | K3368-E3701 IonicContact NZ-OE1 2.88Å; K3368-E3701 PolarHBondContact NZ-OE1 3.18Å; K3368-E3701 IonicContact NZ-OE2 3.11Å; K3368-E3701 PolarHBondContact NZ-OE2 2.65Å; K3431-E3701 WeakPolarHBondContact CE-OE2 3.42Å; K3431-E3701 IonicContact NZ-OE1 2.97Å; K3431-E3701 PolarHBondContact NZ-OE1 3.26Å; K3431-E3701 IonicContact NZ-OE2 3.1Å; K3431-E3701 PolarHBondContact NZ-OE2 3.06Å; H3697-E3701 IonicContact ND1-OE1 3.37Å; H3697-E3701 WeakPolarHBondContact O-CB 3.38Å; H3697-E3701 PolarHBondContact O-N 3.27Å; H3697-E3701 VanDerWaalsContact O-N 3.1Å; P3698-E3701 WeakPolarHBondContact O-CA 3.43Å; P3698-E3701 WeakPolarHBondContact O-CB 3.27Å; P3698-E3701 PolarHBondContact O-N 3.13Å; P3698-E3701 VanDerWaalsContact O-N 3.11Å; L3699-E3701 VanDerWaalsContact C-N 3.29Å; L3699-E3701 PolarHBondContact O-N 3.14Å; E3701-E3703 VanDerWaalsContact C-N 3.34Å; E3701-E3703 PolarHBondContact O-N 3.23Å; E3701-Y3704 PolarHBondContact O-N 3.25Å; E3701-H3705 VanDerWaalsContact CG-CD2 3.47Å; E3701-H3705 WeakPolarHBondContact CG-CD2 3.5Å; E3701-H3705 WeakPolarHBondContact CG-CE1 3.43Å; E3701-H3705 WeakPolarHBondContact CG-NE2 3.18Å; E3701-H3705 WeakPolarHBondContact O-CB 3.3Å; E3701-H3705 PolarHBondContact O-CD2 3.37Å; E3701-H3705 PolarHBondContact O-N 3.13Å; E3701-H3705 PolarHBondContact O-ND1 2.98Å; E3701-H3705 PolarHBondContact O-NE2 3.02Å; E3701-H3705 IonicContact OE1-NE2 3.16Å; E3701-H3705 PolarHBondContact OE1-NE2 3.41Å |
| 3702 | T | 77.8 | Confident | 71.8 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.4 | -46.3 | 173.5 | -7.1 | 0 | 0 | 0 | 0 | 111.6 | P3698 L3699 Y3704 H3705 L3706 I3718 E3722 | P3698-T3702 WeakPolarHBondContact O-CG2 3.48Å; P3698-T3702 PolarHBondContact O-N 3.15Å; P3698-T3702 PolarHBondContact O-OG1 3.37Å; L3699-T3702 VanDerWaalsContact CA-OG1 3.24Å; L3699-T3702 WeakPolarHBondContact CA-OG1 3.42Å; L3699-T3702 PolarHBondContact O-N 3.18Å; L3699-T3702 PolarHBondContact O-OG1 3.45Å; T3702-Y3704 VanDerWaalsContact C-N 3.32Å; T3702-Y3704 PolarHBondContact O-N 3.11Å; T3702-H3705 WeakPolarHBondContact O-CB 3.41Å; T3702-H3705 PolarHBondContact O-N 3.02Å; T3702-L3706 HydrophobicContact CG2-CD1 4.22Å; T3702-L3706 WeakPolarHBondContact O-CB 3.42Å; T3702-L3706 VanDerWaalsContact O-CD1 3.29Å; T3702-L3706 WeakPolarHBondContact O-CD1 3.42Å; T3702-L3706 VanDerWaalsContact O-CG 3.24Å; T3702-L3706 WeakPolarHBondContact O-CG 3.36Å; T3702-L3706 PolarHBondContact O-N 3.11Å; T3702-I3718 HydrophobicContact CG2-CD1 3.64Å; T3702-I3718 HydrophobicContact CG2-CG1 4.03Å; T3702-I3718 HydrophobicContact CG2-CG2 4Å; T3702-E3722 HydrophobicContact CG2-CB 4.08Å; T3702-E3722 HydrophobicContact CG2-CG 3.88Å; T3702-E3722 WeakPolarHBondContact CG2-OE1 3.33Å; T3702-E3722 VanDerWaalsContact OG1-CD 3.27Å; T3702-E3722 WeakPolarHBondContact OG1-CG 3.39Å; T3702-E3722 PolarHBondContact OG1-OE1 3.27Å |
| 3703 | E | 82.8 | Confident | 73.2 | Confident | 9.6 Ų | 9.6 | 26.3 Ų | 26.3 | 5% | 0.045 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -54.2 | -50.3 | 176.7 | -171.7 | -155.8 | 138.8 | 0 | 0 | 110.8 | A3676 I3679 Q3680 L3699 M3700 E3701 H3705 L3706 W3707 | A3676-E3703 HydrophobicContact CB-CG 4.18Å; A3676-E3703 WeakPolarHBondContact O-CG 3.3Å; I3679-E3703 HydrophobicContact CB-CB 4.42Å; I3679-E3703 HydrophobicContact CB-CG 4.42Å; I3679-E3703 HydrophobicContact CG2-CB 4.16Å; I3679-E3703 HydrophobicContact CG2-CG 4.36Å; Q3680-E3703 WeakPolarHBondContact CA-OE2 3.46Å; Q3680-E3703 VanDerWaalsContact CB-CD 3.45Å; Q3680-E3703 HydrophobicContact CB-CG 4.29Å; Q3680-E3703 VanDerWaalsContact CB-OE1 3.27Å; Q3680-E3703 WeakPolarHBondContact CB-OE1 3.25Å; Q3680-E3703 WeakPolarHBondContact CB-OE2 3.3Å; Q3680-E3703 VanDerWaalsContact CD-OE1 3.31Å; Q3680-E3703 VanDerWaalsContact CG-OE1 3.26Å; Q3680-E3703 WeakPolarHBondContact CG-OE1 3.36Å; Q3680-E3703 WeakPolarHBondContact CG-OE2 3.34Å; Q3680-E3703 PolarHBondContact NE2-OE1 3.35Å; L3699-E3703 VanDerWaalsContact O-CB 3.32Å; L3699-E3703 WeakPolarHBondContact O-CB 3.42Å; L3699-E3703 PolarHBondContact O-N 3.01Å; M3700-E3703 WeakPolarHBondContact O-CB 3.45Å; M3700-E3703 PolarHBondContact O-N 3.5Å; E3701-E3703 VanDerWaalsContact C-N 3.34Å; E3701-E3703 PolarHBondContact O-N 3.23Å; E3703-H3705 PolarHBondContact O-N 3.37Å; E3703-L3706 WeakPolarHBondContact O-CB 3.3Å; E3703-L3706 PolarHBondContact O-N 3.18Å; E3703-W3707 VanDerWaalsContact O-CD1 3.22Å; E3703-W3707 PolarHBondContact O-N 3.05Å; E3703-W3707 VanDerWaalsContact O-N 3.07Å; E3703-W3707 PolarHBondContact OE1-NE1 3.07Å; E3703-W3707 VanDerWaalsContact OE1-NE1 3.13Å |
| 3704 | Y | 77.8 | Confident | 74.2 | Confident | 18 Ų | 18 | 28.6 Ų | 28.6 | 7% | 0.071 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.6 | -43.9 | 178.4 | 179 | -99.6 | 0 | 0 | 0 | 112.8 | L3365 Q3420 Q3423 V3424 N3427 M3700 E3701 T3702 L3706 W3707 I3708 | L3365-Y3704 HydrophobicContact CD2-CE1 4.45Å; Q3420-Y3704 WeakPolarHBondContact CG-OH 3.41Å; Q3420-Y3704 PolarHBondContact O-OH 3.22Å; Q3423-Y3704 HydrophobicContact CB-CD2 4.02Å; Q3423-Y3704 HydrophobicContact CB-CE1 4.46Å; Q3423-Y3704 HydrophobicContact CB-CE2 3.16Å; Q3423-Y3704 VanDerWaalsContact CB-OH 3.29Å; Q3423-Y3704 WeakPolarHBondContact CB-OH 3.32Å; Q3423-Y3704 VanDerWaalsContact CD-CE2 3.46Å; Q3423-Y3704 HydrophobicContact CG-CD2 3.86Å; Q3423-Y3704 HydrophobicContact CG-CE2 3.7Å; Q3423-Y3704 HydrophobicContact CG-CG 4.16Å; Q3423-Y3704 VanDerWaalsContact OE1-CE2 3.29Å; V3424-Y3704 HydrophobicContact CG2-CE1 3.86Å; V3424-Y3704 VanDerWaalsContact CG2-OH 3.26Å; V3424-Y3704 WeakPolarHBondContact CG2-OH 3.4Å; V3424-Y3704 PolarHBondContact N-OH 3.19Å; V3424-Y3704 VanDerWaalsContact N-OH 3.11Å; N3427-Y3704 WeakPolarHBondContact ND2-CB 3.49Å; N3427-Y3704 VanDerWaalsContact ND2-CD1 3.29Å; N3427-Y3704 WeakPolarHBondContact ND2-CD1 3.26Å; N3427-Y3704 VanDerWaalsContact ND2-CG 3.32Å; M3700-Y3704 HydrophobicContact CB-CE2 4.35Å; M3700-Y3704 HydrophobicContact CE-CE2 4.16Å; M3700-Y3704 VanDerWaalsContact O-CB 3.31Å; M3700-Y3704 WeakPolarHBondContact O-CB 3.38Å; M3700-Y3704 WeakPolarHBondContact O-CD2 3.46Å; M3700-Y3704 PolarHBondContact O-N 2.94Å; M3700-Y3704 VanDerWaalsContact O-N 3.1Å; E3701-Y3704 PolarHBondContact O-N 3.25Å; T3702-Y3704 VanDerWaalsContact C-N 3.32Å; T3702-Y3704 PolarHBondContact O-N 3.11Å; Y3704-L3706 VanDerWaalsContact C-N 3.28Å; Y3704-L3706 PolarHBondContact O-N 3.21Å; Y3704-W3707 PolarHBondContact O-N 3.09Å; Y3704-I3708 HydrophobicContact CD1-CD1 4Å; Y3704-I3708 HydrophobicContact CD2-CD1 3.99Å; Y3704-I3708 HydrophobicContact CD2-CG1 4.2Å; Y3704-I3708 HydrophobicContact CE1-CD1 3.4Å; Y3704-I3708 VanDerWaalsContact CE1-CD1 3.5Å; Y3704-I3708 HydrophobicContact CE1-CG1 4.42Å; Y3704-I3708 HydrophobicContact CE2-CD1 3.3Å; Y3704-I3708 VanDerWaalsContact CE2-CD1 3.45Å; Y3704-I3708 HydrophobicContact CE2-CG1 3.66Å; Y3704-I3708 HydrophobicContact CG-CD1 4.29Å; Y3704-I3708 WeakPolarHBondContact O-CB 3.44Å; Y3704-I3708 VanDerWaalsContact O-CD1 3.25Å; Y3704-I3708 WeakPolarHBondContact O-CD1 3.41Å; Y3704-I3708 VanDerWaalsContact O-CG1 3.27Å; Y3704-I3708 WeakPolarHBondContact O-CG1 3.32Å; Y3704-I3708 PolarHBondContact O-N 2.98Å; Y3704-I3708 VanDerWaalsContact O-N 3.13Å; Y3704-I3708 VanDerWaalsContact OH-CD1 3.3Å; Y3704-I3708 WeakPolarHBondContact OH-CD1 3.33Å |
| 3705 | H | 77.9 | Confident | 75.2 | Confident | 49 Ų | 49 | 26.9 Ų | 26.9 | 23% | 0.227 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.9 | -38.5 | 177.2 | -70.2 | -88.6 | 0 | 0 | 0 | 112.1 | L3365 K3368 E3701 T3702 E3703 I3708 A3709 | L3365-H3705 VanDerWaalsContact CD1-CA 3.44Å; L3365-H3705 HydrophobicContact CD1-CB 3.56Å; L3365-H3705 HydrophobicContact CD2-CB 4.2Å; L3365-H3705 WeakPolarHBondContact CD2-ND1 3.45Å; K3368-H3705 VanDerWaalsContact CD-CE1 3.49Å; K3368-H3705 WeakPolarHBondContact CD-CE1 3.47Å; K3368-H3705 PolarHBondContact NZ-NE2 3.48Å; E3701-H3705 VanDerWaalsContact CG-CD2 3.47Å; E3701-H3705 WeakPolarHBondContact CG-CD2 3.5Å; E3701-H3705 WeakPolarHBondContact CG-CE1 3.43Å; E3701-H3705 WeakPolarHBondContact CG-NE2 3.18Å; E3701-H3705 WeakPolarHBondContact O-CB 3.3Å; E3701-H3705 PolarHBondContact O-CD2 3.37Å; E3701-H3705 PolarHBondContact O-N 3.13Å; E3701-H3705 PolarHBondContact O-ND1 2.98Å; E3701-H3705 PolarHBondContact O-NE2 3.02Å; E3701-H3705 IonicContact OE1-NE2 3.16Å; E3701-H3705 PolarHBondContact OE1-NE2 3.41Å; T3702-H3705 WeakPolarHBondContact O-CB 3.41Å; T3702-H3705 PolarHBondContact O-N 3.02Å; E3703-H3705 PolarHBondContact O-N 3.37Å; H3705-I3708 PolarHBondContact O-N 3.26Å; H3705-A3709 VanDerWaalsContact O-CB 3.28Å; H3705-A3709 WeakPolarHBondContact O-CB 3.33Å; H3705-A3709 PolarHBondContact O-N 3.37Å |
| 3706 | L | 83.8 | Confident | 76.1 | Confident | 2.2 Ų | 2.2 | 24.1 Ų | 24.1 | 1% | 0.012 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.6 | -42.2 | 177 | -68.8 | 165 | 0 | 0 | 0 | 112.2 | I3667 A3672 F3675 A3676 I3679 T3702 E3703 Y3704 I3708 A3709 S3710 S3716 I3718 | I3667-L3706 HydrophobicContact CB-CD2 4.37Å; I3667-L3706 HydrophobicContact CD1-CD2 4.08Å; I3667-L3706 HydrophobicContact CG1-CD2 4.44Å; I3667-L3706 HydrophobicContact CG2-CD2 4.19Å; A3672-L3706 HydrophobicContact CB-CB 4.36Å; A3672-L3706 HydrophobicContact CB-CD2 3.92Å; F3675-L3706 HydrophobicContact CB-CD1 4.34Å; F3675-L3706 HydrophobicContact CD1-CD1 3.53Å; F3675-L3706 VanDerWaalsContact CD1-CD1 3.49Å; F3675-L3706 HydrophobicContact CD1-CD2 4.25Å; F3675-L3706 HydrophobicContact CD1-CG 4.44Å; F3675-L3706 HydrophobicContact CE1-CD1 4.12Å; F3675-L3706 HydrophobicContact CG-CD1 4.04Å; A3676-L3706 HydrophobicContact CB-CB 3.71Å; A3676-L3706 HydrophobicContact CB-CD1 4.37Å; I3679-L3706 HydrophobicContact CD1-CD1 3.86Å; T3702-L3706 HydrophobicContact CG2-CD1 4.22Å; T3702-L3706 WeakPolarHBondContact O-CB 3.42Å; T3702-L3706 VanDerWaalsContact O-CD1 3.29Å; T3702-L3706 WeakPolarHBondContact O-CD1 3.42Å; T3702-L3706 VanDerWaalsContact O-CG 3.24Å; T3702-L3706 WeakPolarHBondContact O-CG 3.36Å; T3702-L3706 PolarHBondContact O-N 3.11Å; E3703-L3706 WeakPolarHBondContact O-CB 3.3Å; E3703-L3706 PolarHBondContact O-N 3.18Å; Y3704-L3706 VanDerWaalsContact C-N 3.28Å; Y3704-L3706 PolarHBondContact O-N 3.21Å; L3706-I3708 VanDerWaalsContact C-N 3.34Å; L3706-I3708 PolarHBondContact O-N 2.99Å; L3706-A3709 PolarHBondContact O-N 3.22Å; L3706-S3710 WeakPolarHBondContact O-CB 3.38Å; L3706-S3710 PolarHBondContact O-N 3.13Å; L3706-S3710 PolarHBondContact O-OG 3.16Å; L3706-S3716 VanDerWaalsContact CD2-OG 3.28Å; L3706-S3716 WeakPolarHBondContact CD2-OG 3.27Å; L3706-I3718 HydrophobicContact CD1-CD1 4.01Å; L3706-I3718 HydrophobicContact CD2-CD1 4.13Å; L3706-I3718 HydrophobicContact CD2-CG1 4.46Å; L3706-I3718 HydrophobicContact CG-CD1 4.39Å |
| 3707 | W | 83.1 | Confident | 76.7 | Confident | 5.6 Ų | 5.6 | 26 Ų | 26 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.1 | -44.8 | 174.4 | -76.6 | 123.5 | 0 | 0 | 0 | 112.1 | L3578 L3583 A3589 A3673 A3676 E3703 Y3704 S3710 A3711 | L3578-W3707 HydrophobicContact CB-CE3 4.43Å; L3578-W3707 HydrophobicContact CD2-CE3 4.03Å; L3578-W3707 HydrophobicContact CD2-CZ3 3.78Å; L3578-W3707 VanDerWaalsContact O-CE3 3.28Å; L3583-W3707 HydrophobicContact CB-CH2 4.17Å; L3583-W3707 HydrophobicContact CB-CZ3 4.47Å; L3583-W3707 HydrophobicContact CD1-CZ3 4.23Å; A3589-W3707 HydrophobicContact CB-CH2 4.17Å; A3589-W3707 HydrophobicContact CB-CZ3 4.21Å; A3673-W3707 HydrophobicContact CB-CE3 4.13Å; A3673-W3707 HydrophobicContact CB-CZ3 3.84Å; A3676-W3707 HydrophobicContact CB-CD2 3.69Å; A3676-W3707 HydrophobicContact CB-CE3 4.29Å; A3676-W3707 HydrophobicContact CB-CG 3.9Å; A3676-W3707 HydrophobicContact CB-CZ2 4.08Å; E3703-W3707 VanDerWaalsContact O-CD1 3.22Å; E3703-W3707 PolarHBondContact O-N 3.05Å; E3703-W3707 VanDerWaalsContact O-N 3.07Å; E3703-W3707 PolarHBondContact OE1-NE1 3.07Å; E3703-W3707 VanDerWaalsContact OE1-NE1 3.13Å; Y3704-W3707 PolarHBondContact O-N 3.09Å; W3707-S3710 WeakPolarHBondContact CA-OG 3.11Å; W3707-S3710 PolarHBondContact O-N 3.42Å; W3707-S3710 PolarHBondContact O-OG 3.06Å; W3707-A3711 VanDerWaalsContact O-CB 3.3Å; W3707-A3711 WeakPolarHBondContact O-CB 3.3Å; W3707-A3711 PolarHBondContact O-N 3.07Å |
| 3708 | I | 77.1 | Confident | 77.3 | Confident | 5.8 Ų | 5.8 | 24.2 Ų | 24.2 | 3% | 0.03 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.6 | -44.8 | 177.4 | -61.9 | 164.3 | 0 | 0 | 0 | 111.5 | L3365 Q3420 L3579 Y3704 H3705 L3706 S3710 A3711 N3712 | L3365-I3708 HydrophobicContact CB-CD1 4.44Å; L3365-I3708 HydrophobicContact CB-CG2 4.45Å; L3365-I3708 HydrophobicContact CD1-CB 3.67Å; L3365-I3708 VanDerWaalsContact CD1-CB 3.48Å; L3365-I3708 HydrophobicContact CD1-CD1 3.73Å; L3365-I3708 HydrophobicContact CD1-CG1 4.24Å; L3365-I3708 HydrophobicContact CD1-CG2 3.7Å; L3365-I3708 HydrophobicContact CD2-CD1 4.24Å; L3365-I3708 HydrophobicContact CG-CB 4.48Å; L3365-I3708 HydrophobicContact CG-CD1 4.04Å; L3365-I3708 HydrophobicContact CG-CG2 4.16Å; Q3420-I3708 HydrophobicContact CB-CD1 4.31Å; Q3420-I3708 HydrophobicContact CB-CG2 4.42Å; Q3420-I3708 VanDerWaalsContact CD-CG2 3.43Å; Q3420-I3708 HydrophobicContact CG-CB 4.45Å; Q3420-I3708 HydrophobicContact CG-CD1 3.98Å; Q3420-I3708 HydrophobicContact CG-CG1 4.03Å; Q3420-I3708 HydrophobicContact CG-CG2 3.83Å; Q3420-I3708 VanDerWaalsContact NE2-CG2 3.33Å; L3579-I3708 HydrophobicContact CD2-CB 4.3Å; L3579-I3708 HydrophobicContact CD2-CG1 3.95Å; L3579-I3708 HydrophobicContact CD2-CG2 4.25Å; Y3704-I3708 HydrophobicContact CD1-CD1 4Å; Y3704-I3708 HydrophobicContact CD2-CD1 3.99Å; Y3704-I3708 HydrophobicContact CD2-CG1 4.2Å; Y3704-I3708 HydrophobicContact CE1-CD1 3.4Å; Y3704-I3708 VanDerWaalsContact CE1-CD1 3.5Å; Y3704-I3708 HydrophobicContact CE1-CG1 4.42Å; Y3704-I3708 HydrophobicContact CE2-CD1 3.3Å; Y3704-I3708 VanDerWaalsContact CE2-CD1 3.45Å; Y3704-I3708 HydrophobicContact CE2-CG1 3.66Å; Y3704-I3708 HydrophobicContact CG-CD1 4.29Å; Y3704-I3708 WeakPolarHBondContact O-CB 3.44Å; Y3704-I3708 VanDerWaalsContact O-CD1 3.25Å; Y3704-I3708 WeakPolarHBondContact O-CD1 3.41Å; Y3704-I3708 VanDerWaalsContact O-CG1 3.27Å; Y3704-I3708 WeakPolarHBondContact O-CG1 3.32Å; Y3704-I3708 PolarHBondContact O-N 2.98Å; Y3704-I3708 VanDerWaalsContact O-N 3.13Å; Y3704-I3708 VanDerWaalsContact OH-CD1 3.3Å; Y3704-I3708 WeakPolarHBondContact OH-CD1 3.33Å; H3705-I3708 PolarHBondContact O-N 3.26Å; L3706-I3708 VanDerWaalsContact C-N 3.34Å; L3706-I3708 PolarHBondContact O-N 2.99Å; I3708-S3710 VanDerWaalsContact C-N 3.3Å; I3708-S3710 PolarHBondContact O-N 3.27Å; I3708-A3711 PolarHBondContact O-N 3.2Å; I3708-A3711 VanDerWaalsContact O-N 3.12Å; I3708-N3712 WeakPolarHBondContact CG2-ND2 3.43Å; I3708-N3712 WeakPolarHBondContact O-CB 3.39Å; I3708-N3712 PolarHBondContact O-N 3.04Å; I3708-N3712 PolarHBondContact O-ND2 2.99Å |
| 3709 | A | 78.5 | Confident | 77.6 | Confident | 5.4 Ų | 5.4 | 23.4 Ų | 23.4 | 5% | 0.045 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.2 | -43.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | H3705 L3706 N3712 L3713 R3714 | H3705-A3709 VanDerWaalsContact O-CB 3.28Å; H3705-A3709 WeakPolarHBondContact O-CB 3.33Å; H3705-A3709 PolarHBondContact O-N 3.37Å; L3706-A3709 PolarHBondContact O-N 3.22Å; A3709-N3712 CarbonylContact O-C 3.54Å; A3709-N3712 PolarHBondContact O-N 3.05Å; A3709-L3713 PolarHBondContact O-N 3.19Å; A3709-L3713 VanDerWaalsContact O-N 3.1Å; A3709-R3714 PolarHBondContact O-N 3.1Å |
| 3710 | S | 83.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.7 | -42.5 | 176 | 64.2 | 0 | 0 | 0 | 0 | 113.7 | A3673 L3706 W3707 I3708 N3712 L3713 | A3673-S3710 WeakPolarHBondContact CB-OG 3.28Å; L3706-S3710 WeakPolarHBondContact O-CB 3.38Å; L3706-S3710 PolarHBondContact O-N 3.13Å; L3706-S3710 PolarHBondContact O-OG 3.16Å; W3707-S3710 WeakPolarHBondContact CA-OG 3.11Å; W3707-S3710 PolarHBondContact O-N 3.42Å; W3707-S3710 PolarHBondContact O-OG 3.06Å; I3708-S3710 VanDerWaalsContact C-N 3.3Å; I3708-S3710 PolarHBondContact O-N 3.27Å; S3710-N3712 VanDerWaalsContact C-N 3.28Å; S3710-N3712 PolarHBondContact O-N 3Å; S3710-L3713 PolarHBondContact O-N 3.1Å; S3710-L3713 VanDerWaalsContact O-N 3.15Å |
| 3711 | A | 79.8 | Confident | 77.5 | Confident | 0.6 Ų | 0.6 | 31.1 Ų | 31.1 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.6 | -30 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q3575 L3578 L3579 L3596 W3707 I3708 | Q3575-A3711 WeakPolarHBondContact CG-O 3.24Å; Q3575-A3711 PolarHBondContact NE2-O 3.09Å; L3578-A3711 HydrophobicContact CB-CB 3.96Å; L3578-A3711 HydrophobicContact CD1-CB 4.29Å; L3579-A3711 HydrophobicContact CD1-CB 4.42Å; L3579-A3711 HydrophobicContact CD2-CB 3.91Å; L3579-A3711 HydrophobicContact CG-CB 3.77Å; L3596-A3711 WeakPolarHBondContact CD2-O 3.38Å; W3707-A3711 VanDerWaalsContact O-CB 3.3Å; W3707-A3711 WeakPolarHBondContact O-CB 3.3Å; W3707-A3711 PolarHBondContact O-N 3.07Å; I3708-A3711 PolarHBondContact O-N 3.2Å; I3708-A3711 VanDerWaalsContact O-N 3.12Å |
| 3712 | N | 75.4 | Confident | 77.7 | Confident | 34.4 Ų | 34.4 | 31.5 Ų | 31.5 | 18% | 0.184 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 4.4 | 177.6 | -66.8 | -29.4 | 0 | 0 | 0 | 113.3 | E3363 Q3420 I3708 A3709 S3710 R3714 | E3363-N3712 VanDerWaalsContact CD-ND2 3.28Å; E3363-N3712 PolarHBondContact OE1-ND2 3.26Å; E3363-N3712 PolarHBondContact OE2-ND2 3.08Å; Q3420-N3712 PolarHBondContact NE2-ND2 3Å; Q3420-N3712 PolarHBondContact NE2-OD1 3.31Å; Q3420-N3712 VanDerWaalsContact NE2-OD1 3.09Å; I3708-N3712 WeakPolarHBondContact CG2-ND2 3.43Å; I3708-N3712 WeakPolarHBondContact O-CB 3.39Å; I3708-N3712 PolarHBondContact O-N 3.04Å; I3708-N3712 PolarHBondContact O-ND2 2.99Å; A3709-N3712 CarbonylContact O-C 3.54Å; A3709-N3712 PolarHBondContact O-N 3.05Å; S3710-N3712 VanDerWaalsContact C-N 3.28Å; S3710-N3712 PolarHBondContact O-N 3Å; N3712-R3714 VanDerWaalsContact C-N 3.26Å; N3712-R3714 HydrophobicContact CB-CG 4.2Å; N3712-R3714 WeakPolarHBondContact O-CG 3.45Å; N3712-R3714 PolarHBondContact O-N 2.96Å |
| 3713 | L | 77.3 | Confident | 77.6 | Confident | 27.6 Ų | 27.6 | 31.9 Ų | 31.9 | 15% | 0.145 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 41.6 | -174.2 | -64.5 | 169.6 | 0 | 0 | 0 | 113.3 | V3593 L3596 D3597 Q3600 P3669 A3709 S3710 | V3593-L3713 HydrophobicContact CG1-CD2 3.81Å; L3596-L3713 HydrophobicContact CB-CD2 4.48Å; L3596-L3713 HydrophobicContact CD2-CD1 4.4Å; L3596-L3713 HydrophobicContact CD2-CD2 4.26Å; L3596-L3713 HydrophobicContact CD2-CG 4.09Å; L3596-L3713 HydrophobicContact CG-CD1 4.01Å; L3596-L3713 HydrophobicContact CG-CD2 4.39Å; L3596-L3713 HydrophobicContact CG-CG 4.22Å; D3597-L3713 HydrophobicContact CB-CD1 4.28Å; D3597-L3713 HydrophobicContact CB-CD2 4.04Å; Q3600-L3713 HydrophobicContact CB-CD1 4.06Å; Q3600-L3713 HydrophobicContact CG-CD1 4.41Å; P3669-L3713 HydrophobicContact CB-CD2 4.28Å; P3669-L3713 VanDerWaalsContact CG-C 3.49Å; P3669-L3713 HydrophobicContact CG-CD2 4.47Å; A3709-L3713 PolarHBondContact O-N 3.19Å; A3709-L3713 VanDerWaalsContact O-N 3.1Å; S3710-L3713 PolarHBondContact O-N 3.1Å; S3710-L3713 VanDerWaalsContact O-N 3.15Å |
| 3714 | R | 74.9 | Confident | 77.3 | Confident | 96.2 Ų | 96.2 | 34.9 Ų | 34.9 | 36% | 0.363 | 18% | 0.176 | S | C | . | . | trans | -110.3 | 147.6 | 179.2 | -68.8 | -176.1 | -175.8 | 168.9 | 5 | 111.8 | E3363 A3709 N3712 | E3363-R3714 VanDerWaalsContact CD-CZ 3.48Å; E3363-R3714 IonicContact OE1-CZ 3.62Å; E3363-R3714 IonicContact OE1-NH1 3.61Å; E3363-R3714 PolarHBondContact OE1-NH1 3.29Å; E3363-R3714 VanDerWaalsContact OE1-NH1 3.12Å; E3363-R3714 IonicContact OE1-NH2 2.64Å; E3363-R3714 PolarHBondContact OE1-NH2 2.96Å; E3363-R3714 IonicContact OE2-CZ 3.19Å; E3363-R3714 VanDerWaalsContact OE2-CZ 3.26Å; E3363-R3714 IonicContact OE2-NE 2.59Å; E3363-R3714 IonicContact OE2-NH1 3.05Å; E3363-R3714 PolarHBondContact OE2-NH1 3.14Å; E3363-R3714 IonicContact OE2-NH2 3.41Å; A3709-R3714 PolarHBondContact O-N 3.1Å; N3712-R3714 VanDerWaalsContact C-N 3.26Å; N3712-R3714 HydrophobicContact CB-CG 4.2Å; N3712-R3714 WeakPolarHBondContact O-CG 3.45Å; N3712-R3714 PolarHBondContact O-N 2.96Å | ||
| 3715 | T | 75.1 | Confident | 77.3 | Confident | 64.6 Ų | 64.6 | 35.3 Ų | 35.3 | 40% | 0.396 | 18% | 0.179 | S | C | . | . | trans | -68.1 | 141.1 | 171 | 52.4 | 0 | 0 | 0 | 0 | 110.4 | L3666 I3667 | L3666-T3715 HydrophobicContact CD1-CG2 4.31Å; L3666-T3715 HydrophobicContact CD2-CG2 4.08Å; I3667-T3715 WeakPolarHBondContact O-CA 3.34Å | ||
| 3716 | S | 75.7 | Confident | 77.5 | Confident | 7 Ų | 7 | 33.1 Ų | 33.1 | 5% | 0.049 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 169.2 | 173.9 | 58.3 | 0 | 0 | 0 | 0 | 110.1 | I3667 L3706 | I3667-S3716 PolarHBondContact N-O 3.19Å; I3667-S3716 PolarHBondContact O-N 3.06Å; L3706-S3716 VanDerWaalsContact CD2-OG 3.28Å; L3706-S3716 WeakPolarHBondContact CD2-OG 3.27Å |
| 3717 | W | 76.8 | Confident | 77.3 | Confident | 62 Ų | 62 | 35.7 Ų | 35.7 | 24% | 0.235 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 148.6 | 174.1 | 13.4 | 49.5 | 0 | 0 | 0 | 110.4 | Q3369 Y3372 I3373 F3389 I3390 L3664 F3665 L3666 | Q3369-W3717 HydrophobicContact CB-CH2 4.24Å; Q3369-W3717 HydrophobicContact CB-CZ2 3.62Å; Q3369-W3717 HydrophobicContact CG-CH2 4.22Å; Q3369-W3717 HydrophobicContact CG-CZ2 3.65Å; Y3372-W3717 HydrophobicContact CD1-CZ2 4.3Å; I3373-W3717 HydrophobicContact CD1-CH2 3.89Å; I3373-W3717 HydrophobicContact CD1-CZ2 4.28Å; I3373-W3717 HydrophobicContact CD1-CZ3 4.3Å; I3373-W3717 HydrophobicContact CG1-CH2 4.19Å; I3373-W3717 HydrophobicContact CG1-CZ2 4.43Å; I3373-W3717 HydrophobicContact CG1-CZ3 4.2Å; F3389-W3717 AromaticContact CD2-CE3 3.84Å; F3389-W3717 HydrophobicContact CD2-CE3 3.92Å; F3389-W3717 AromaticContact CD2-CZ2 3.92Å; F3389-W3717 HydrophobicContact CD2-CZ2 3.92Å; F3389-W3717 AromaticContact CD2-CZ3 3.92Å; F3389-W3717 HydrophobicContact CD2-CZ3 4.14Å; F3389-W3717 AromaticContact CE2-CE3 3.69Å; F3389-W3717 HydrophobicContact CE2-CE3 3.69Å; F3389-W3717 HydrophobicContact CE2-CZ2 4.17Å; F3389-W3717 AromaticContact CE2-CZ3 3.75Å; F3389-W3717 HydrophobicContact CE2-CZ3 4.08Å; I3390-W3717 HydrophobicContact CG1-CH2 4.46Å; I3390-W3717 HydrophobicContact CG1-CZ3 4.15Å; L3664-W3717 HydrophobicContact CB-CE3 3.89Å; L3664-W3717 HydrophobicContact CB-CZ3 4.49Å; L3664-W3717 HydrophobicContact CD1-CE3 4.38Å; L3664-W3717 HydrophobicContact CD2-CG 4.47Å; F3665-W3717 CarbonylContact O-C 3.57Å; F3665-W3717 VanDerWaalsContact O-CA 3.25Å; F3665-W3717 WeakPolarHBondContact O-CA 3.34Å; F3665-W3717 WeakPolarHBondContact O-CB 3.2Å; L3666-W3717 HydrophobicContact CB-CD2 4.43Å; L3666-W3717 HydrophobicContact CB-CE3 3.94Å; L3666-W3717 HydrophobicContact CB-CH2 4.14Å; L3666-W3717 HydrophobicContact CB-CZ3 3.8Å; L3666-W3717 VanDerWaalsContact CD1-CD1 3.44Å; L3666-W3717 HydrophobicContact CD1-CD2 4.42Å; L3666-W3717 HydrophobicContact CD1-CH2 3.79Å; L3666-W3717 HydrophobicContact CD1-CZ2 3.59Å; L3666-W3717 HydrophobicContact CD1-CZ3 4.28Å |
| 3718 | I | 77.4 | Confident | 77 | Confident | 1.4 Ų | 1.4 | 40.1 Ų | 40.1 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 138.4 | 174 | -60.5 | -173.4 | 0 | 0 | 0 | 109.5 | I3653 L3664 F3665 I3667 F3675 T3702 L3706 E3722 C3723 I3726 | I3653-I3718 HydrophobicContact CD1-CD1 4.04Å; L3664-I3718 CarbonylContact C-O 3.56Å; L3664-I3718 WeakPolarHBondContact CA-O 3.4Å; F3665-I3718 HydrophobicContact CB-CG1 3.91Å; F3665-I3718 HydrophobicContact CD2-CG1 4.2Å; F3665-I3718 PolarHBondContact N-O 2.95Å; F3665-I3718 PolarHBondContact O-N 3.18Å; I3667-I3718 HydrophobicContact CD1-CB 4.11Å; I3667-I3718 HydrophobicContact CD1-CD1 3.46Å; I3667-I3718 HydrophobicContact CD1-CG1 3.73Å; I3667-I3718 VanDerWaalsContact CD1-CG1 3.46Å; I3667-I3718 HydrophobicContact CG1-CD1 4.41Å; I3667-I3718 HydrophobicContact CG1-CG1 4.32Å; I3667-I3718 HydrophobicContact CG1-CG2 4.1Å; F3675-I3718 HydrophobicContact CD1-CD1 3.86Å; F3675-I3718 HydrophobicContact CE1-CD1 3.34Å; F3675-I3718 HydrophobicContact CE1-CG2 4.11Å; F3675-I3718 HydrophobicContact CZ-CD1 4.08Å; T3702-I3718 HydrophobicContact CG2-CD1 3.64Å; T3702-I3718 HydrophobicContact CG2-CG1 4.03Å; T3702-I3718 HydrophobicContact CG2-CG2 4Å; L3706-I3718 HydrophobicContact CD1-CD1 4.01Å; L3706-I3718 HydrophobicContact CD2-CD1 4.13Å; L3706-I3718 HydrophobicContact CD2-CG1 4.46Å; L3706-I3718 HydrophobicContact CG-CD1 4.39Å; I3718-E3722 HydrophobicContact CG2-CB 3.74Å; I3718-E3722 VanDerWaalsContact CG2-CB 3.43Å; I3718-E3722 HydrophobicContact CG2-CG 4.41Å; I3718-C3723 WeakPolarHBondContact CD1-SG 3.4Å; I3718-C3723 WeakPolarHBondContact CG2-SG 3.33Å; I3718-I3726 HydrophobicContact CD1-CD1 4.39Å |
| 3719 | S | 74.2 | Confident | 77.2 | Confident | 23.8 Ų | 23.8 | 40.2 Ų | 40.2 | 17% | 0.166 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 156.5 | 177.1 | 64.4 | 0 | 0 | 0 | 0 | 112.8 | E3663 F3721 E3722 C3723 | E3663-S3719 CarbonylContact O-C 3.44Å; E3663-S3719 VanDerWaalsContact O-CA 3.27Å; E3663-S3719 WeakPolarHBondContact O-CA 3.41Å; S3719-F3721 PolarHBondContact O-N 3.24Å; S3719-F3721 VanDerWaalsContact O-N 3.16Å; S3719-E3722 WeakPolarHBondContact CB-OE2 3.43Å; S3719-E3722 PolarHBondContact N-OE2 3.06Å; S3719-E3722 PolarHBondContact O-N 3.02Å; S3719-E3722 VanDerWaalsContact O-N 3.12Å; S3719-E3722 VanDerWaalsContact OG-CG 3.28Å; S3719-E3722 WeakPolarHBondContact OG-CG 3.25Å; S3719-E3722 PolarHBondContact OG-N 3.13Å; S3719-E3722 PolarHBondContact OG-OE2 3.2Å; S3719-C3723 PolarHBondContact O-N 3.21Å |
| 3720 | N | 72.2 | Confident | 77.5 | Confident | 73.6 Ų | 73.6 | 40.6 Ų | 40.6 | 39% | 0.394 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -55 | -36.4 | 171.4 | -118 | -8.3 | 0 | 0 | 0 | 112.4 | E3663 F3665 C3723 C3724 | E3663-N3720 PolarHBondContact O-N 3.22Å; F3665-N3720 HydrophobicContact CE2-CB 4.27Å; F3665-N3720 WeakPolarHBondContact CE2-OD1 3.2Å; F3665-N3720 VanDerWaalsContact CZ-OD1 3.29Å; F3665-N3720 WeakPolarHBondContact CZ-OD1 3.33Å; N3720-C3723 WeakPolarHBondContact O-CB 3.26Å; N3720-C3723 PolarHBondContact O-N 3.29Å; N3720-C3724 PolarHBondContact O-N 3.14Å; N3720-C3724 PolarHBondContact O-SG 3.21Å |
| 3721 | F | 73.1 | Confident | 77.4 | Confident | 132.8 Ų | 132.8 | 43.6 Ų | 43.6 | 58% | 0.582 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -62.6 | -45.8 | 176.6 | 175.5 | -104.3 | 0 | 0 | 0 | 112.2 | P3698 S3719 C3723 C3724 L3725 | P3698-F3721 HydrophobicContact CB-CE1 4.35Å; P3698-F3721 HydrophobicContact CG-CE1 4.26Å; S3719-F3721 PolarHBondContact O-N 3.24Å; S3719-F3721 VanDerWaalsContact O-N 3.16Å; F3721-C3723 VanDerWaalsContact C-N 3.35Å; F3721-C3723 PolarHBondContact O-N 3.35Å; F3721-C3724 PolarHBondContact O-N 3.19Å; F3721-L3725 HydrophobicContact CD1-CD1 4.01Å; F3721-L3725 HydrophobicContact CE1-CD1 3.4Å; F3721-L3725 VanDerWaalsContact CE1-CD1 3.44Å; F3721-L3725 HydrophobicContact CE1-CG 4.19Å; F3721-L3725 HydrophobicContact CE2-CD1 4.42Å; F3721-L3725 HydrophobicContact CE2-CG 4.42Å; F3721-L3725 HydrophobicContact CZ-CD1 3.66Å; F3721-L3725 HydrophobicContact CZ-CD2 4.37Å; F3721-L3725 HydrophobicContact CZ-CG 4.11Å; F3721-L3725 WeakPolarHBondContact O-CG 3.27Å; F3721-L3725 PolarHBondContact O-N 3.24Å; F3721-L3725 VanDerWaalsContact O-N 3.07Å |
| 3722 | E | 76.6 | Confident | 77.4 | Confident | 37 Ų | 37 | 47.7 Ų | 47.7 | 17% | 0.173 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.6 | -40.7 | 175.9 | -70.8 | 160.5 | 143.9 | 0 | 0 | 111.2 | T3702 I3718 S3719 C3724 L3725 I3726 | T3702-E3722 HydrophobicContact CG2-CB 4.08Å; T3702-E3722 HydrophobicContact CG2-CG 3.88Å; T3702-E3722 WeakPolarHBondContact CG2-OE1 3.33Å; T3702-E3722 VanDerWaalsContact OG1-CD 3.27Å; T3702-E3722 WeakPolarHBondContact OG1-CG 3.39Å; T3702-E3722 PolarHBondContact OG1-OE1 3.27Å; I3718-E3722 HydrophobicContact CG2-CB 3.74Å; I3718-E3722 VanDerWaalsContact CG2-CB 3.43Å; I3718-E3722 HydrophobicContact CG2-CG 4.41Å; S3719-E3722 WeakPolarHBondContact CB-OE2 3.43Å; S3719-E3722 PolarHBondContact N-OE2 3.06Å; S3719-E3722 PolarHBondContact O-N 3.02Å; S3719-E3722 VanDerWaalsContact O-N 3.12Å; S3719-E3722 VanDerWaalsContact OG-CG 3.28Å; S3719-E3722 WeakPolarHBondContact OG-CG 3.25Å; S3719-E3722 PolarHBondContact OG-N 3.13Å; S3719-E3722 PolarHBondContact OG-OE2 3.2Å; E3722-C3724 VanDerWaalsContact C-N 3.34Å; E3722-C3724 PolarHBondContact O-N 3.12Å; E3722-L3725 PolarHBondContact O-N 3.3Å; E3722-I3726 VanDerWaalsContact O-CG1 3.27Å; E3722-I3726 WeakPolarHBondContact O-CG1 3.45Å; E3722-I3726 PolarHBondContact O-N 3.22Å |
| 3723 | C | 76.8 | Confident | 77.7 | Confident | 13.8 Ų | 13.8 | 46.1 Ų | 46.1 | 9% | 0.093 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.1 | -44.7 | 173.3 | -73.7 | 0 | 0 | 0 | 0 | 112.3 | F3665 I3718 S3719 N3720 F3721 I3726 D3727 | F3665-C3723 VanDerWaalsContact CD2-SG 3.6Å; F3665-C3723 WeakPolarHBondContact CD2-SG 3.44Å; F3665-C3723 HydrophobicContact CE2-CB 4.49Å; I3718-C3723 WeakPolarHBondContact CD1-SG 3.4Å; I3718-C3723 WeakPolarHBondContact CG2-SG 3.33Å; S3719-C3723 PolarHBondContact O-N 3.21Å; N3720-C3723 WeakPolarHBondContact O-CB 3.26Å; N3720-C3723 PolarHBondContact O-N 3.29Å; F3721-C3723 VanDerWaalsContact C-N 3.35Å; F3721-C3723 PolarHBondContact O-N 3.35Å; C3723-I3726 PolarHBondContact O-N 3.07Å; C3723-D3727 PolarHBondContact O-N 3.22Å |
| 3724 | C | 76.6 | Confident | 77.8 | Confident | 73 Ų | 73 | 45.3 Ų | 45.3 | 49% | 0.493 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.5 | -44 | 176.4 | -67.3 | 0 | 0 | 0 | 0 | 112 | N3720 F3721 E3722 I3726 D3727 D3728 | N3720-C3724 PolarHBondContact O-N 3.14Å; N3720-C3724 PolarHBondContact O-SG 3.21Å; F3721-C3724 PolarHBondContact O-N 3.19Å; E3722-C3724 VanDerWaalsContact C-N 3.34Å; E3722-C3724 PolarHBondContact O-N 3.12Å; C3724-I3726 VanDerWaalsContact C-N 3.32Å; C3724-I3726 PolarHBondContact O-N 3.22Å; C3724-D3727 WeakPolarHBondContact O-CB 3.39Å; C3724-D3727 PolarHBondContact O-N 3.06Å; C3724-D3727 VanDerWaalsContact O-N 3.12Å; C3724-D3728 PolarHBondContact O-N 3.09Å |
| 3725 | L | 77.2 | Confident | 78 | Confident | 25 Ų | 25 | 45.2 Ų | 45.2 | 13% | 0.131 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.2 | -39.1 | 176.6 | -72 | 179 | 0 | 0 | 0 | 112.3 | F3696 P3698 L3699 F3721 E3722 D3727 D3728 V3729 | F3696-L3725 HydrophobicContact CD1-CD2 4.46Å; F3696-L3725 HydrophobicContact CE1-CD2 4.43Å; P3698-L3725 HydrophobicContact CB-CD1 3.94Å; P3698-L3725 HydrophobicContact CG-CD1 4.1Å; L3699-L3725 HydrophobicContact CD1-CB 4.17Å; L3699-L3725 HydrophobicContact CD2-CB 3.74Å; L3699-L3725 HydrophobicContact CD2-CD1 4.42Å; L3699-L3725 HydrophobicContact CG-CB 4.06Å; L3699-L3725 HydrophobicContact CG-CD1 4.44Å; F3721-L3725 HydrophobicContact CD1-CD1 4.01Å; F3721-L3725 HydrophobicContact CE1-CD1 3.4Å; F3721-L3725 VanDerWaalsContact CE1-CD1 3.44Å; F3721-L3725 HydrophobicContact CE1-CG 4.19Å; F3721-L3725 HydrophobicContact CE2-CD1 4.42Å; F3721-L3725 HydrophobicContact CE2-CG 4.42Å; F3721-L3725 HydrophobicContact CZ-CD1 3.66Å; F3721-L3725 HydrophobicContact CZ-CD2 4.37Å; F3721-L3725 HydrophobicContact CZ-CG 4.11Å; F3721-L3725 WeakPolarHBondContact O-CG 3.27Å; F3721-L3725 PolarHBondContact O-N 3.24Å; F3721-L3725 VanDerWaalsContact O-N 3.07Å; E3722-L3725 PolarHBondContact O-N 3.3Å; L3725-D3727 VanDerWaalsContact C-N 3.35Å; L3725-D3728 PolarHBondContact O-N 3.07Å; L3725-V3729 WeakPolarHBondContact O-CG2 3.34Å; L3725-V3729 PolarHBondContact O-N 3.11Å; L3725-V3729 VanDerWaalsContact O-N 3.11Å |
| 3726 | I | 82 | Confident | 78.1 | Confident | 4.2 Ų | 4.2 | 44.5 Ų | 44.5 | 2% | 0.022 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.3 | -42.2 | 175.6 | -65.6 | 168.2 | 0 | 0 | 0 | 110.1 | L3646 L3650 F3675 I3679 L3699 I3718 E3722 C3723 C3724 D3728 V3729 K3730 | L3646-I3726 HydrophobicContact CD1-CG2 3.87Å; L3646-I3726 HydrophobicContact CD2-CG2 4.19Å; L3650-I3726 HydrophobicContact CD1-CG2 4.26Å; F3675-I3726 HydrophobicContact CE1-CD1 3.98Å; F3675-I3726 VanDerWaalsContact CE1-CD1 3.45Å; F3675-I3726 HydrophobicContact CE2-CD1 3.95Å; F3675-I3726 HydrophobicContact CE2-CG2 4.27Å; F3675-I3726 HydrophobicContact CZ-CD1 3.43Å; F3675-I3726 VanDerWaalsContact CZ-CD1 3.43Å; F3675-I3726 HydrophobicContact CZ-CG2 4.34Å; I3679-I3726 HydrophobicContact CD1-CD1 3.77Å; I3679-I3726 HydrophobicContact CD1-CG1 4.36Å; I3679-I3726 HydrophobicContact CG1-CD1 4.21Å; I3679-I3726 HydrophobicContact CG1-CG1 4.38Å; I3679-I3726 HydrophobicContact CG1-CG2 4.42Å; L3699-I3726 HydrophobicContact CD2-CB 4.42Å; L3699-I3726 HydrophobicContact CD2-CD1 4.27Å; L3699-I3726 HydrophobicContact CD2-CG1 3.37Å; I3718-I3726 HydrophobicContact CD1-CD1 4.39Å; E3722-I3726 VanDerWaalsContact O-CG1 3.27Å; E3722-I3726 WeakPolarHBondContact O-CG1 3.45Å; E3722-I3726 PolarHBondContact O-N 3.22Å; C3723-I3726 PolarHBondContact O-N 3.07Å; C3724-I3726 VanDerWaalsContact C-N 3.32Å; C3724-I3726 PolarHBondContact O-N 3.22Å; I3726-D3728 VanDerWaalsContact C-N 3.34Å; I3726-D3728 PolarHBondContact O-N 3.15Å; I3726-V3729 PolarHBondContact O-N 3.25Å; I3726-K3730 VanDerWaalsContact O-CB 3.26Å; I3726-K3730 WeakPolarHBondContact O-CB 3.32Å; I3726-K3730 PolarHBondContact O-N 3.14Å |
| 3727 | D | 79.5 | Confident | 78.3 | Confident | 55.6 Ų | 55.6 | 44.2 Ų | 44.2 | 30% | 0.297 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.6 | -42.6 | 177.5 | -154.7 | 52.6 | 0 | 0 | 0 | 111.2 | L3650 C3723 C3724 L3725 V3729 K3730 Q3731 | L3650-D3727 HydrophobicContact CD1-CB 4.44Å; L3650-D3727 VanDerWaalsContact CD1-OD1 3.22Å; L3650-D3727 WeakPolarHBondContact CD1-OD1 3.47Å; C3723-D3727 PolarHBondContact O-N 3.22Å; C3724-D3727 WeakPolarHBondContact O-CB 3.39Å; C3724-D3727 PolarHBondContact O-N 3.06Å; C3724-D3727 VanDerWaalsContact O-N 3.12Å; L3725-D3727 VanDerWaalsContact C-N 3.35Å; D3727-V3729 PolarHBondContact O-N 3.05Å; D3727-K3730 WeakPolarHBondContact O-CB 3.33Å; D3727-K3730 PolarHBondContact O-N 3.23Å; D3727-K3730 WeakPolarHBondContact OD1-CE 3.37Å; D3727-K3730 IonicContact OD1-NZ 3.44Å; D3727-K3730 PolarHBondContact OD1-NZ 3.16Å; D3727-K3730 IonicContact OD2-NZ 3.87Å; D3727-Q3731 WeakPolarHBondContact O-CB 3.4Å; D3727-Q3731 VanDerWaalsContact O-CG 3.28Å; D3727-Q3731 WeakPolarHBondContact O-CG 3.39Å; D3727-Q3731 PolarHBondContact O-N 3Å |
| 3728 | D | 77.4 | Confident | 78.3 | Confident | 97.8 Ų | 97.8 | 42 Ų | 42 | 52% | 0.523 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.9 | -45.1 | 175.2 | -77 | -19.3 | 0 | 0 | 0 | 112.5 | C3724 L3725 I3726 Q3731 K3732 | C3724-D3728 PolarHBondContact O-N 3.09Å; L3725-D3728 PolarHBondContact O-N 3.07Å; I3726-D3728 VanDerWaalsContact C-N 3.34Å; I3726-D3728 PolarHBondContact O-N 3.15Å; D3728-Q3731 PolarHBondContact O-N 3.45Å; D3728-K3732 WeakPolarHBondContact O-CB 3.37Å; D3728-K3732 WeakPolarHBondContact O-CG 3.35Å; D3728-K3732 PolarHBondContact O-N 3.09Å; D3728-K3732 VanDerWaalsContact O-N 3.07Å |
| 3729 | V | 80.7 | Confident | 78.4 | Confident | 7.6 Ų | 7.6 | 47.3 Ų | 47.3 | 5% | 0.046 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.1 | -40.4 | 177.7 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | I3682 L3683 T3686 F3696 L3699 L3725 I3726 D3727 Q3731 K3732 A3733 | I3682-V3729 HydrophobicContact CB-CG1 4.47Å; I3682-V3729 HydrophobicContact CG2-CB 4.37Å; I3682-V3729 HydrophobicContact CG2-CG1 3.55Å; I3682-V3729 VanDerWaalsContact CG2-CG1 3.48Å; L3683-V3729 HydrophobicContact CD2-CG1 4.11Å; L3683-V3729 HydrophobicContact CD2-CG2 4.19Å; L3683-V3729 HydrophobicContact CG-CG1 4.4Å; T3686-V3729 HydrophobicContact CG2-CG1 4.17Å; F3696-V3729 HydrophobicContact CD1-CG2 3.73Å; F3696-V3729 VanDerWaalsContact CD1-CG2 3.45Å; F3696-V3729 HydrophobicContact CD2-CG2 4.29Å; F3696-V3729 HydrophobicContact CE1-CG2 3.31Å; F3696-V3729 HydrophobicContact CE2-CG2 4.18Å; F3696-V3729 HydrophobicContact CG-CG2 4.09Å; F3696-V3729 HydrophobicContact CZ-CG2 3.8Å; L3699-V3729 HydrophobicContact CD1-CB 4.41Å; L3699-V3729 HydrophobicContact CD1-CG2 3.57Å; L3699-V3729 VanDerWaalsContact CD1-CG2 3.46Å; L3725-V3729 WeakPolarHBondContact O-CG2 3.34Å; L3725-V3729 PolarHBondContact O-N 3.11Å; L3725-V3729 VanDerWaalsContact O-N 3.11Å; I3726-V3729 PolarHBondContact O-N 3.25Å; D3727-V3729 PolarHBondContact O-N 3.05Å; V3729-Q3731 VanDerWaalsContact C-N 3.35Å; V3729-Q3731 PolarHBondContact O-N 2.89Å; V3729-K3732 PolarHBondContact O-N 2.98Å; V3729-A3733 WeakPolarHBondContact O-CB 3.32Å; V3729-A3733 PolarHBondContact O-N 3.29Å |
| 3730 | K | 85.7 | Confident | 78.5 | Confident | 14.2 Ų | 14.2 | 51.4 Ų | 51.4 | 6% | 0.062 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 174 | -175.6 | -163.5 | 75.3 | -178.8 | 0 | 111.2 | L3643 L3646 N3647 L3650 I3726 D3727 K3732 A3733 L3734 | L3643-K3730 HydrophobicContact CD2-CB 4.48Å; L3643-K3730 HydrophobicContact CD2-CG 3.73Å; L3646-K3730 HydrophobicContact CB-CD 3.91Å; L3646-K3730 HydrophobicContact CB-CG 4.34Å; L3646-K3730 HydrophobicContact CD1-CB 4.2Å; L3646-K3730 HydrophobicContact CD1-CD 4.44Å; L3646-K3730 HydrophobicContact CD1-CG 4.21Å; N3647-K3730 VanDerWaalsContact OD1-CD 3.31Å; N3647-K3730 WeakPolarHBondContact OD1-CD 3.37Å; N3647-K3730 VanDerWaalsContact OD1-CE 3.26Å; N3647-K3730 WeakPolarHBondContact OD1-CE 3.35Å; N3647-K3730 PolarHBondContact OD1-NZ 3.1Å; N3647-K3730 VanDerWaalsContact OD1-NZ 3.17Å; L3650-K3730 HydrophobicContact CD1-CD 4.19Å; I3726-K3730 VanDerWaalsContact O-CB 3.26Å; I3726-K3730 WeakPolarHBondContact O-CB 3.32Å; I3726-K3730 PolarHBondContact O-N 3.14Å; D3727-K3730 WeakPolarHBondContact O-CB 3.33Å; D3727-K3730 PolarHBondContact O-N 3.23Å; D3727-K3730 WeakPolarHBondContact OD1-CE 3.37Å; D3727-K3730 IonicContact OD1-NZ 3.44Å; D3727-K3730 PolarHBondContact OD1-NZ 3.16Å; D3727-K3730 IonicContact OD2-NZ 3.87Å; K3730-K3732 VanDerWaalsContact C-N 3.33Å; K3730-K3732 PolarHBondContact O-N 3.08Å; K3730-A3733 PolarHBondContact O-N 3.13Å; K3730-L3734 HydrophobicContact CG-CD1 4.32Å; K3730-L3734 WeakPolarHBondContact O-CB 3.26Å; K3730-L3734 WeakPolarHBondContact O-CG 3.39Å; K3730-L3734 PolarHBondContact O-N 3.24Å |
| 3731 | Q | 81.3 | Confident | 78.7 | Confident | 62.6 Ų | 62.6 | 48 Ų | 48 | 29% | 0.293 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.5 | -43 | 177.5 | -68.1 | -58.4 | -18.7 | 0 | 0 | 111.4 | D3727 D3728 V3729 A3733 L3734 Q3735 | D3727-Q3731 WeakPolarHBondContact O-CB 3.4Å; D3727-Q3731 VanDerWaalsContact O-CG 3.28Å; D3727-Q3731 WeakPolarHBondContact O-CG 3.39Å; D3727-Q3731 PolarHBondContact O-N 3Å; D3728-Q3731 PolarHBondContact O-N 3.45Å; V3729-Q3731 VanDerWaalsContact C-N 3.35Å; V3729-Q3731 PolarHBondContact O-N 2.89Å; Q3731-A3733 VanDerWaalsContact C-N 3.34Å; Q3731-A3733 PolarHBondContact O-N 2.89Å; Q3731-L3734 PolarHBondContact O-N 3.23Å; Q3731-Q3735 VanDerWaalsContact O-CG 3.3Å; Q3731-Q3735 WeakPolarHBondContact O-CG 3.4Å; Q3731-Q3735 PolarHBondContact O-N 3.16Å |
| 3732 | K | 79.8 | Confident | 78.9 | Confident | 88.2 Ų | 88.2 | 45.9 Ų | 45.9 | 38% | 0.383 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 175.4 | -136.3 | 176.7 | -179.5 | 179.5 | 0 | 112.4 | T3686 H3687 D3728 V3729 K3730 Q3735 I3736 | T3686-K3732 HydrophobicContact CG2-CB 4.49Å; T3686-K3732 HydrophobicContact CG2-CG 4.45Å; H3687-K3732 PolarHBondContact CE1-NZ 3.18Å; H3687-K3732 VanDerWaalsContact CE1-NZ 3.27Å; H3687-K3732 PolarHBondContact NE2-NZ 2.91Å; H3687-K3732 VanDerWaalsContact NE2-NZ 3.11Å; D3728-K3732 WeakPolarHBondContact O-CB 3.37Å; D3728-K3732 WeakPolarHBondContact O-CG 3.35Å; D3728-K3732 PolarHBondContact O-N 3.09Å; D3728-K3732 VanDerWaalsContact O-N 3.07Å; V3729-K3732 PolarHBondContact O-N 2.98Å; K3730-K3732 VanDerWaalsContact C-N 3.33Å; K3730-K3732 PolarHBondContact O-N 3.08Å; K3732-Q3735 PolarHBondContact O-N 3.18Å; K3732-I3736 HydrophobicContact CG-CD1 4.43Å; K3732-I3736 WeakPolarHBondContact O-CG1 3.32Å; K3732-I3736 PolarHBondContact O-N 3.26Å; K3732-I3736 VanDerWaalsContact O-N 3.1Å |
| 3733 | A | 80.5 | Confident | 79 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.6 | -42.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L3643 I3682 F3685 T3686 V3729 K3730 Q3731 Q3735 I3736 I3737 | L3643-A3733 HydrophobicContact CD1-CB 4.45Å; L3643-A3733 HydrophobicContact CD2-CB 4.02Å; I3682-A3733 HydrophobicContact CG2-CB 3.61Å; I3682-A3733 VanDerWaalsContact CG2-CB 3.47Å; F3685-A3733 HydrophobicContact CD1-CB 4.13Å; F3685-A3733 HydrophobicContact CE1-CB 4.35Å; T3686-A3733 HydrophobicContact CG2-CB 3.7Å; V3729-A3733 WeakPolarHBondContact O-CB 3.32Å; V3729-A3733 PolarHBondContact O-N 3.29Å; K3730-A3733 PolarHBondContact O-N 3.13Å; Q3731-A3733 VanDerWaalsContact C-N 3.34Å; Q3731-A3733 PolarHBondContact O-N 2.89Å; A3733-Q3735 VanDerWaalsContact C-N 3.33Å; A3733-Q3735 PolarHBondContact O-N 3.01Å; A3733-I3736 PolarHBondContact O-N 3.12Å; A3733-I3737 WeakPolarHBondContact O-CG1 3.32Å; A3733-I3737 PolarHBondContact O-N 3.25Å |
| 3734 | L | 79.9 | Confident | 78.9 | Confident | 10.4 Ų | 10.4 | 49.9 Ų | 49.9 | 5% | 0.054 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.1 | -46.1 | 173.1 | -73.6 | 167.9 | 0 | 0 | 0 | 111.2 | L3643 K3730 Q3731 I3736 I3737 F3738 L3785 | L3643-L3734 HydrophobicContact CD1-CD2 4.06Å; L3643-L3734 HydrophobicContact CD1-CG 4.46Å; L3643-L3734 HydrophobicContact CD2-CD2 4.37Å; L3643-L3734 HydrophobicContact CD2-CG 4.17Å; K3730-L3734 HydrophobicContact CG-CD1 4.32Å; K3730-L3734 WeakPolarHBondContact O-CB 3.26Å; K3730-L3734 WeakPolarHBondContact O-CG 3.39Å; K3730-L3734 PolarHBondContact O-N 3.24Å; Q3731-L3734 PolarHBondContact O-N 3.23Å; L3734-I3736 PolarHBondContact O-N 3.23Å; L3734-I3737 PolarHBondContact O-N 3.17Å; L3734-F3738 HydrophobicContact CB-CD2 4.32Å; L3734-F3738 HydrophobicContact CB-CE2 4.32Å; L3734-F3738 HydrophobicContact CD2-CE2 4.04Å; L3734-F3738 WeakPolarHBondContact O-CB 3.4Å; L3734-F3738 WeakPolarHBondContact O-CD2 3.33Å; L3734-F3738 PolarHBondContact O-N 3.17Å; L3734-L3785 HydrophobicContact CD2-CB 3.95Å; L3734-L3785 HydrophobicContact CD2-CD1 4.36Å; L3734-L3785 HydrophobicContact CD2-CD2 4.08Å; L3734-L3785 HydrophobicContact CD2-CG 4.37Å |
| 3735 | Q | 78.8 | Confident | 79 | Confident | 94.2 Ų | 94.2 | 46.5 Ų | 46.5 | 44% | 0.44 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.5 | -45.4 | 176.9 | -73.2 | 174.1 | 6.3 | 0 | 0 | 112.3 | Q3731 K3732 A3733 I3737 F3738 Q3739 | Q3731-Q3735 VanDerWaalsContact O-CG 3.3Å; Q3731-Q3735 WeakPolarHBondContact O-CG 3.4Å; Q3731-Q3735 PolarHBondContact O-N 3.16Å; K3732-Q3735 PolarHBondContact O-N 3.18Å; A3733-Q3735 VanDerWaalsContact C-N 3.33Å; A3733-Q3735 PolarHBondContact O-N 3.01Å; Q3735-I3737 PolarHBondContact O-N 3.19Å; Q3735-F3738 PolarHBondContact O-N 3.21Å; Q3735-Q3739 VanDerWaalsContact O-CB 3.25Å; Q3735-Q3739 WeakPolarHBondContact O-CB 3.32Å; Q3735-Q3739 WeakPolarHBondContact O-CG 3.38Å; Q3735-Q3739 PolarHBondContact O-N 3.14Å |
| 3736 | I | 78.5 | Confident | 79 | Confident | 50 Ų | 50 | 47.9 Ų | 47.9 | 26% | 0.256 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 178.1 | -66.9 | 165.8 | 0 | 0 | 0 | 110.7 | F3685 T3686 K3732 A3733 L3734 Q3739 K3740 | F3685-I3736 HydrophobicContact CE1-CB 4.06Å; F3685-I3736 HydrophobicContact CE1-CG2 3.82Å; F3685-I3736 HydrophobicContact CZ-CB 4.35Å; F3685-I3736 HydrophobicContact CZ-CG2 3.7Å; T3686-I3736 HydrophobicContact CG2-CD1 4.2Å; K3732-I3736 HydrophobicContact CG-CD1 4.43Å; K3732-I3736 WeakPolarHBondContact O-CG1 3.32Å; K3732-I3736 PolarHBondContact O-N 3.26Å; K3732-I3736 VanDerWaalsContact O-N 3.1Å; A3733-I3736 PolarHBondContact O-N 3.12Å; L3734-I3736 PolarHBondContact O-N 3.23Å; I3736-Q3739 PolarHBondContact O-N 3.13Å; I3736-K3740 HydrophobicContact CG2-CD 4.43Å; I3736-K3740 WeakPolarHBondContact O-CG 3.27Å; I3736-K3740 PolarHBondContact O-N 3.13Å |
| 3737 | I | 78.8 | Confident | 78.8 | Confident | 0.4 Ų | 0.4 | 51.6 Ų | 51.6 | 0% | 0.002 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.2 | -47.6 | 179.3 | -68.8 | 174.6 | 0 | 0 | 0 | 110.7 | P3635 I3639 L3643 F3685 A3733 L3734 Q3735 Q3739 K3740 I3741 V3781 L3785 | P3635-I3737 HydrophobicContact CB-CD1 4.21Å; P3635-I3737 HydrophobicContact CB-CG1 4.28Å; P3635-I3737 HydrophobicContact CG-CD1 4.25Å; P3635-I3737 HydrophobicContact CG-CG1 4.13Å; P3635-I3737 HydrophobicContact CG-CG2 4.13Å; I3639-I3737 HydrophobicContact CG2-CD1 4Å; L3643-I3737 HydrophobicContact CD1-CD1 3.31Å; F3685-I3737 HydrophobicContact CE1-CD1 4.09Å; F3685-I3737 HydrophobicContact CE1-CG1 3.65Å; F3685-I3737 HydrophobicContact CZ-CD1 4.25Å; F3685-I3737 HydrophobicContact CZ-CG1 3.57Å; A3733-I3737 WeakPolarHBondContact O-CG1 3.32Å; A3733-I3737 PolarHBondContact O-N 3.25Å; L3734-I3737 PolarHBondContact O-N 3.17Å; Q3735-I3737 PolarHBondContact O-N 3.19Å; I3737-Q3739 VanDerWaalsContact C-N 3.3Å; I3737-Q3739 PolarHBondContact O-N 3.14Å; I3737-K3740 WeakPolarHBondContact O-CB 3.39Å; I3737-K3740 PolarHBondContact O-N 3.02Å; I3737-K3740 VanDerWaalsContact O-N 3.15Å; I3737-I3741 HydrophobicContact CG2-CD1 3.61Å; I3737-I3741 HydrophobicContact CG2-CG1 4.17Å; I3737-I3741 WeakPolarHBondContact O-CB 3.43Å; I3737-I3741 VanDerWaalsContact O-CG1 3.3Å; I3737-I3741 WeakPolarHBondContact O-CG1 3.4Å; I3737-I3741 PolarHBondContact O-N 3.06Å; I3737-V3781 HydrophobicContact CG2-CG1 4.3Å; I3737-L3785 HydrophobicContact CB-CD1 4.4Å; I3737-L3785 HydrophobicContact CD1-CD1 4.14Å; I3737-L3785 HydrophobicContact CG2-CD1 3.64Å |
| 3738 | F | 77.9 | Confident | 78.5 | Confident | 16.6 Ų | 16.6 | 49.4 Ų | 49.4 | 7% | 0.073 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65 | -34.2 | 178.7 | -76.2 | -57.3 | 0 | 0 | 0 | 112.6 | L3734 Q3735 I3741 R3742 L3785 N3786 M3826 L3827 H3832 | L3734-F3738 HydrophobicContact CB-CD2 4.32Å; L3734-F3738 HydrophobicContact CB-CE2 4.32Å; L3734-F3738 HydrophobicContact CD2-CE2 4.04Å; L3734-F3738 WeakPolarHBondContact O-CB 3.4Å; L3734-F3738 WeakPolarHBondContact O-CD2 3.33Å; L3734-F3738 PolarHBondContact O-N 3.17Å; Q3735-F3738 PolarHBondContact O-N 3.21Å; F3738-I3741 HydrophobicContact CD1-CD1 4.26Å; F3738-I3741 HydrophobicContact CE1-CD1 4.43Å; F3738-I3741 PolarHBondContact O-N 3.01Å; F3738-R3742 VanDerWaalsContact O-CB 3.23Å; F3738-R3742 WeakPolarHBondContact O-CB 3.32Å; F3738-R3742 PolarHBondContact O-N 3.24Å; F3738-L3785 HydrophobicContact CE1-CB 4.3Å; F3738-L3785 HydrophobicContact CE2-CB 4.35Å; F3738-L3785 HydrophobicContact CZ-CB 3.76Å; F3738-L3785 HydrophobicContact CZ-CD1 4.49Å; F3738-N3786 HydrophobicContact CE1-CB 4.48Å; F3738-N3786 HydrophobicContact CE2-CB 4.35Å; F3738-N3786 WeakPolarHBondContact CE2-ND2 3.33Å; F3738-N3786 VanDerWaalsContact CE2-OD1 3.27Å; F3738-N3786 WeakPolarHBondContact CE2-OD1 3.45Å; F3738-N3786 HydrophobicContact CZ-CB 3.76Å; F3738-N3786 VanDerWaalsContact CZ-ND2 3.29Å; F3738-N3786 WeakPolarHBondContact CZ-ND2 3.23Å; F3738-N3786 WeakPolarHBondContact CZ-OD1 3.42Å; F3738-M3826 HydrophobicContact CD1-CE 3.34Å; F3738-M3826 HydrophobicContact CD1-SD 4.33Å; F3738-M3826 HydrophobicContact CE1-CE 3.66Å; F3738-M3826 HydrophobicContact CG-CE 4.29Å; F3738-L3827 HydrophobicContact CB-CD2 4.39Å; F3738-L3827 HydrophobicContact CD1-CD2 3.53Å; F3738-L3827 VanDerWaalsContact CD1-CD2 3.48Å; F3738-L3827 HydrophobicContact CE1-CD2 4.16Å; F3738-L3827 HydrophobicContact CG-CD2 4.32Å; F3738-H3832 AromaticContact CD2-NE2 3.79Å; F3738-H3832 AromaticContact CE2-CE1 3.96Å |
| 3739 | Q | 78.3 | Confident | 78.3 | Confident | 113 Ų | 113 | 45.1 Ų | 45.1 | 53% | 0.528 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 171.7 | -136.3 | 176.8 | 3 | 0 | 0 | 111.7 | Q3735 I3736 I3737 R3742 I3743 | Q3735-Q3739 VanDerWaalsContact O-CB 3.25Å; Q3735-Q3739 WeakPolarHBondContact O-CB 3.32Å; Q3735-Q3739 WeakPolarHBondContact O-CG 3.38Å; Q3735-Q3739 PolarHBondContact O-N 3.14Å; I3736-Q3739 PolarHBondContact O-N 3.13Å; I3737-Q3739 VanDerWaalsContact C-N 3.3Å; I3737-Q3739 PolarHBondContact O-N 3.14Å; Q3739-R3742 WeakPolarHBondContact O-CB 3.44Å; Q3739-R3742 PolarHBondContact O-N 3.09Å; Q3739-I3743 HydrophobicContact CG-CD1 4.19Å; Q3739-I3743 VanDerWaalsContact O-CG1 3.28Å; Q3739-I3743 WeakPolarHBondContact O-CG1 3.31Å; Q3739-I3743 PolarHBondContact O-N 3.13Å |
| 3740 | K | 76.6 | Confident | 78 | Confident | 109.4 Ų | 109.4 | 48.8 Ų | 48.8 | 48% | 0.476 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.7 | -49.2 | 174.6 | -75.3 | -177.2 | 176.3 | -173.8 | 0 | 111.9 | I3736 I3737 R3742 I3743 E3744 | I3736-K3740 HydrophobicContact CG2-CD 4.43Å; I3736-K3740 WeakPolarHBondContact O-CG 3.27Å; I3736-K3740 PolarHBondContact O-N 3.13Å; I3737-K3740 WeakPolarHBondContact O-CB 3.39Å; I3737-K3740 PolarHBondContact O-N 3.02Å; I3737-K3740 VanDerWaalsContact O-N 3.15Å; K3740-R3742 VanDerWaalsContact C-N 3.26Å; K3740-R3742 PolarHBondContact O-N 3.05Å; K3740-I3743 PolarHBondContact O-N 3.12Å; K3740-I3743 VanDerWaalsContact O-N 3.13Å; K3740-E3744 WeakPolarHBondContact O-CB 3.2Å; K3740-E3744 WeakPolarHBondContact O-CG 3.44Å; K3740-E3744 PolarHBondContact O-N 3.29Å |
| 3741 | I | 76.5 | Confident | 77.2 | Confident | 1.2 Ų | 1.2 | 53.7 Ų | 53.7 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.8 | -43 | 176.1 | -69.1 | 171 | 0 | 0 | 0 | 110.3 | I3737 F3738 E3744 L3745 L3778 V3781 L3827 | I3737-I3741 HydrophobicContact CG2-CD1 3.61Å; I3737-I3741 HydrophobicContact CG2-CG1 4.17Å; I3737-I3741 WeakPolarHBondContact O-CB 3.43Å; I3737-I3741 VanDerWaalsContact O-CG1 3.3Å; I3737-I3741 WeakPolarHBondContact O-CG1 3.4Å; I3737-I3741 PolarHBondContact O-N 3.06Å; F3738-I3741 HydrophobicContact CD1-CD1 4.26Å; F3738-I3741 HydrophobicContact CE1-CD1 4.43Å; F3738-I3741 PolarHBondContact O-N 3.01Å; I3741-E3744 PolarHBondContact O-N 3.26Å; I3741-L3745 HydrophobicContact CG2-CD1 3.73Å; I3741-L3745 HydrophobicContact CG2-CG 4.34Å; I3741-L3745 VanDerWaalsContact O-CB 3.3Å; I3741-L3745 WeakPolarHBondContact O-CB 3.44Å; I3741-L3745 VanDerWaalsContact O-CG 3.24Å; I3741-L3745 WeakPolarHBondContact O-CG 3.32Å; I3741-L3745 PolarHBondContact O-N 3.27Å; I3741-L3778 HydrophobicContact CB-CD2 4.26Å; I3741-L3778 HydrophobicContact CG1-CD2 3.88Å; I3741-L3778 HydrophobicContact CG2-CB 4.38Å; I3741-L3778 HydrophobicContact CG2-CD2 4.25Å; I3741-V3781 HydrophobicContact CD1-CB 4.38Å; I3741-V3781 HydrophobicContact CD1-CG1 3.88Å; I3741-L3827 HydrophobicContact CG2-CD1 4Å; I3741-L3827 HydrophobicContact CG2-CD2 4.42Å |
| 3742 | R | 78.4 | Confident | 76.5 | Confident | 90.2 Ų | 90.2 | 51.2 Ų | 51.2 | 34% | 0.34 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.4 | -45.8 | 177.6 | -176.6 | -178.6 | 171.6 | -171 | -3 | 112.2 | F3738 Q3739 K3740 E3744 L3745 I3746 V3823 L3827 | F3738-R3742 VanDerWaalsContact O-CB 3.23Å; F3738-R3742 WeakPolarHBondContact O-CB 3.32Å; F3738-R3742 PolarHBondContact O-N 3.24Å; Q3739-R3742 WeakPolarHBondContact O-CB 3.44Å; Q3739-R3742 PolarHBondContact O-N 3.09Å; K3740-R3742 VanDerWaalsContact C-N 3.26Å; K3740-R3742 PolarHBondContact O-N 3.05Å; R3742-E3744 VanDerWaalsContact C-N 3.34Å; R3742-L3745 PolarHBondContact O-N 3.13Å; R3742-I3746 HydrophobicContact CG-CD1 3.88Å; R3742-I3746 HydrophobicContact CG-CG1 4.45Å; R3742-I3746 WeakPolarHBondContact O-CB 3.37Å; R3742-I3746 VanDerWaalsContact O-CG1 3.22Å; R3742-I3746 WeakPolarHBondContact O-CG1 3.4Å; R3742-I3746 PolarHBondContact O-N 3.18Å; R3742-V3823 HydrophobicContact CG-CG1 4.17Å; R3742-L3827 HydrophobicContact CB-CB 4.26Å; R3742-L3827 HydrophobicContact CB-CD1 4.18Å; R3742-L3827 HydrophobicContact CG-CB 4.29Å; R3742-L3827 VanDerWaalsContact CZ-CG 3.46Å |
| 3743 | I | 77.7 | Confident | 75.5 | Confident | 89.8 Ų | 89.8 | 49.2 Ų | 49.2 | 46% | 0.461 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.4 | -47.4 | 178.6 | -69.1 | 163.4 | 0 | 0 | 0 | 110.3 | Q3739 K3740 L3745 I3746 N3747 | Q3739-I3743 HydrophobicContact CG-CD1 4.19Å; Q3739-I3743 VanDerWaalsContact O-CG1 3.28Å; Q3739-I3743 WeakPolarHBondContact O-CG1 3.31Å; Q3739-I3743 PolarHBondContact O-N 3.13Å; K3740-I3743 PolarHBondContact O-N 3.12Å; K3740-I3743 VanDerWaalsContact O-N 3.13Å; I3743-L3745 VanDerWaalsContact C-N 3.35Å; I3743-L3745 PolarHBondContact O-N 3.23Å; I3743-I3746 PolarHBondContact O-N 2.97Å; I3743-N3747 VanDerWaalsContact O-CG 3.24Å; I3743-N3747 PolarHBondContact O-N 3.15Å; I3743-N3747 PolarHBondContact O-ND2 3.12Å; I3743-N3747 PolarHBondContact O-OD1 3.1Å |
| 3744 | E | 75.7 | Confident | 74.1 | Confident | 44.6 Ų | 44.6 | 57.7 Ų | 57.7 | 21% | 0.208 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 177 | -74 | -81.3 | 151.5 | 0 | 0 | 112.3 | L3633 I3634 K3740 I3741 R3742 I3746 N3747 L3748 L3778 | L3633-E3744 WeakPolarHBondContact CB-OE1 3.27Å; L3633-E3744 VanDerWaalsContact CD2-OE1 3.28Å; L3633-E3744 WeakPolarHBondContact CD2-OE1 3.26Å; I3634-E3744 HydrophobicContact CG1-CG 4.31Å; K3740-E3744 WeakPolarHBondContact O-CB 3.2Å; K3740-E3744 WeakPolarHBondContact O-CG 3.44Å; K3740-E3744 PolarHBondContact O-N 3.29Å; I3741-E3744 PolarHBondContact O-N 3.26Å; R3742-E3744 VanDerWaalsContact C-N 3.34Å; E3744-I3746 VanDerWaalsContact C-N 3.33Å; E3744-I3746 PolarHBondContact O-N 3.26Å; E3744-N3747 PolarHBondContact O-N 2.94Å; E3744-L3748 WeakPolarHBondContact O-CB 3.34Å; E3744-L3748 VanDerWaalsContact O-CG 3.29Å; E3744-L3748 WeakPolarHBondContact O-CG 3.32Å; E3744-L3748 PolarHBondContact O-N 3.16Å; E3744-L3778 HydrophobicContact CB-CD1 3.75Å; E3744-L3778 HydrophobicContact CB-CD2 4.24Å; E3744-L3778 HydrophobicContact CG-CD1 4.48Å; E3744-L3778 HydrophobicContact CG-CD2 4.36Å |
| 3745 | L | 77 | Confident | 72.7 | Confident | 0.8 Ų | 0.8 | 65 Ų | 65 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 175.7 | -76.5 | 170.9 | 0 | 0 | 0 | 112.1 | I3741 R3742 I3743 L3748 L3749 L3775 L3778 L3779 F3822 V3823 L3827 | I3741-L3745 HydrophobicContact CG2-CD1 3.73Å; I3741-L3745 HydrophobicContact CG2-CG 4.34Å; I3741-L3745 VanDerWaalsContact O-CB 3.3Å; I3741-L3745 WeakPolarHBondContact O-CB 3.44Å; I3741-L3745 VanDerWaalsContact O-CG 3.24Å; I3741-L3745 WeakPolarHBondContact O-CG 3.32Å; I3741-L3745 PolarHBondContact O-N 3.27Å; R3742-L3745 PolarHBondContact O-N 3.13Å; I3743-L3745 VanDerWaalsContact C-N 3.35Å; I3743-L3745 PolarHBondContact O-N 3.23Å; L3745-L3748 PolarHBondContact O-N 3.36Å; L3745-L3749 VanDerWaalsContact O-CB 3.26Å; L3745-L3749 WeakPolarHBondContact O-CB 3.25Å; L3745-L3749 WeakPolarHBondContact O-CD1 3.38Å; L3745-L3749 WeakPolarHBondContact O-CG 3.33Å; L3745-L3749 PolarHBondContact O-N 3.12Å; L3745-L3775 HydrophobicContact CD2-CD1 4.32Å; L3745-L3775 HydrophobicContact CD2-CD2 3.68Å; L3745-L3775 VanDerWaalsContact CD2-CD2 3.44Å; L3745-L3775 HydrophobicContact CD2-CG 3.98Å; L3745-L3778 HydrophobicContact CD2-CB 4.23Å; L3745-L3778 HydrophobicContact CD2-CD1 3.98Å; L3745-L3778 HydrophobicContact CG-CB 4.47Å; L3745-L3778 HydrophobicContact CG-CD1 4.2Å; L3745-L3779 HydrophobicContact CD1-CD2 4.45Å; L3745-L3779 HydrophobicContact CD2-CD2 4.46Å; L3745-F3822 HydrophobicContact CD1-CD1 4.18Å; L3745-F3822 HydrophobicContact CD1-CE1 4.25Å; L3745-V3823 HydrophobicContact CB-CG2 3.6Å; L3745-V3823 HydrophobicContact CD1-CG2 3.92Å; L3745-V3823 HydrophobicContact CG-CG2 4.36Å; L3745-L3827 HydrophobicContact CD1-CD1 3.57Å |
| 3746 | I | 78.2 | Confident | 71.3 | Confident | 55 Ų | 55 | 62.4 Ų | 62.4 | 28% | 0.282 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 174.9 | -72.5 | 167.2 | 0 | 0 | 0 | 110.3 | R3742 I3743 E3744 L3748 L3749 N3750 V3823 | R3742-I3746 HydrophobicContact CG-CD1 3.88Å; R3742-I3746 HydrophobicContact CG-CG1 4.45Å; R3742-I3746 WeakPolarHBondContact O-CB 3.37Å; R3742-I3746 VanDerWaalsContact O-CG1 3.22Å; R3742-I3746 WeakPolarHBondContact O-CG1 3.4Å; R3742-I3746 PolarHBondContact O-N 3.18Å; I3743-I3746 PolarHBondContact O-N 2.97Å; E3744-I3746 VanDerWaalsContact C-N 3.33Å; E3744-I3746 PolarHBondContact O-N 3.26Å; I3746-L3748 PolarHBondContact O-N 3.1Å; I3746-L3749 PolarHBondContact O-N 3.01Å; I3746-N3750 WeakPolarHBondContact CG2-ND2 3.41Å; I3746-N3750 WeakPolarHBondContact O-CB 3.3Å; I3746-N3750 PolarHBondContact O-N 3.25Å; I3746-N3750 PolarHBondContact O-ND2 3.08Å; I3746-N3750 PolarHBondContact O-OD1 3.03Å; I3746-V3823 HydrophobicContact CD1-CG1 3.98Å; I3746-V3823 HydrophobicContact CG1-CG1 3.54Å; I3746-V3823 VanDerWaalsContact CG1-CG1 3.45Å |
| 3747 | N | 76.8 | Confident | 69.9 | Low | 82.4 Ų | 82.4 | 66 Ų | 66 | 44% | 0.441 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 178.7 | -68 | -15.4 | 0 | 0 | 0 | 111 | I3743 E3744 L3749 N3750 E3751 | I3743-N3747 VanDerWaalsContact O-CG 3.24Å; I3743-N3747 PolarHBondContact O-N 3.15Å; I3743-N3747 PolarHBondContact O-ND2 3.12Å; I3743-N3747 PolarHBondContact O-OD1 3.1Å; E3744-N3747 PolarHBondContact O-N 2.94Å; N3747-L3749 VanDerWaalsContact C-N 3.31Å; N3747-L3749 PolarHBondContact O-N 3.18Å; N3747-N3750 PolarHBondContact O-N 3.09Å; N3747-E3751 PolarHBondContact O-N 3.02Å; N3747-E3751 VanDerWaalsContact O-N 3.12Å |
| 3748 | L | 73.4 | Confident | 68.5 | Low | 9.4 Ų | 9.4 | 73.1 Ų | 73.1 | 5% | 0.049 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 175.5 | -72.9 | 167.6 | 0 | 0 | 0 | 112.2 | E3744 L3745 I3746 N3750 E3751 F3752 N3771 N3774 L3775 L3778 | E3744-L3748 WeakPolarHBondContact O-CB 3.34Å; E3744-L3748 VanDerWaalsContact O-CG 3.29Å; E3744-L3748 WeakPolarHBondContact O-CG 3.32Å; E3744-L3748 PolarHBondContact O-N 3.16Å; L3745-L3748 PolarHBondContact O-N 3.36Å; I3746-L3748 PolarHBondContact O-N 3.1Å; L3748-N3750 VanDerWaalsContact C-N 3.35Å; L3748-E3751 PolarHBondContact O-N 3.36Å; L3748-F3752 WeakPolarHBondContact O-CD2 3.19Å; L3748-F3752 VanDerWaalsContact O-CE2 3.24Å; L3748-F3752 WeakPolarHBondContact O-CE2 3.2Å; L3748-F3752 PolarHBondContact O-N 3.45Å; L3748-N3771 HydrophobicContact CD2-CB 3.7Å; L3748-N3771 VanDerWaalsContact CD2-CG 3.47Å; L3748-N3774 HydrophobicContact CD1-CB 4.35Å; L3748-L3775 HydrophobicContact CB-CD1 4.37Å; L3748-L3775 HydrophobicContact CB-CD2 4.18Å; L3748-L3775 HydrophobicContact CD1-CB 4.23Å; L3748-L3775 HydrophobicContact CD1-CD1 4.32Å; L3748-L3775 HydrophobicContact CD1-CD2 3.6Å; L3748-L3775 HydrophobicContact CD1-CG 4.25Å; L3748-L3778 HydrophobicContact CD1-CD1 3.91Å |
| 3749 | L | 74.3 | Confident | 67.1 | Low | 7 Ų | 7 | 79.2 Ų | 79.2 | 4% | 0.037 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -71.1 | -34 | 178.2 | -74 | 169.8 | 0 | 0 | 0 | 113 | L3745 I3746 N3747 E3751 F3752 D3753 V3816 F3819 R3820 V3823 | L3745-L3749 VanDerWaalsContact O-CB 3.26Å; L3745-L3749 WeakPolarHBondContact O-CB 3.25Å; L3745-L3749 WeakPolarHBondContact O-CD1 3.38Å; L3745-L3749 WeakPolarHBondContact O-CG 3.33Å; L3745-L3749 PolarHBondContact O-N 3.12Å; I3746-L3749 PolarHBondContact O-N 3.01Å; N3747-L3749 VanDerWaalsContact C-N 3.31Å; N3747-L3749 PolarHBondContact O-N 3.18Å; L3749-E3751 VanDerWaalsContact C-N 3.31Å; L3749-E3751 PolarHBondContact O-N 2.84Å; L3749-F3752 HydrophobicContact CD2-CD2 4.35Å; L3749-F3752 WeakPolarHBondContact O-CA 3.19Å; L3749-F3752 WeakPolarHBondContact O-CB 3.38Å; L3749-F3752 PolarHBondContact O-N 3.22Å; L3749-D3753 PolarHBondContact O-N 3.18Å; L3749-V3816 HydrophobicContact CD2-CG1 3.92Å; L3749-F3819 HydrophobicContact CD1-CB 4.23Å; L3749-F3819 HydrophobicContact CD2-CB 3.96Å; L3749-R3820 HydrophobicContact CD1-CG 4.05Å; L3749-R3820 HydrophobicContact CD2-CG 4.3Å; L3749-R3820 PolarHBondContact O-NH2 2.92Å; L3749-V3823 HydrophobicContact CD1-CB 4.47Å; L3749-V3823 HydrophobicContact CD1-CG2 3.89Å |
| 3750 | N | 73.5 | Confident | 65.6 | Low | 84.6 Ų | 84.6 | 79.8 Ų | 79.8 | 45% | 0.452 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.8 | -34 | 176.5 | -69.7 | -16.4 | 0 | 0 | 0 | 111.6 | I3746 N3747 L3748 F3752 D3753 E3754 | I3746-N3750 WeakPolarHBondContact CG2-ND2 3.41Å; I3746-N3750 WeakPolarHBondContact O-CB 3.3Å; I3746-N3750 PolarHBondContact O-N 3.25Å; I3746-N3750 PolarHBondContact O-ND2 3.08Å; I3746-N3750 PolarHBondContact O-OD1 3.03Å; N3747-N3750 PolarHBondContact O-N 3.09Å; L3748-N3750 VanDerWaalsContact C-N 3.35Å; N3750-F3752 VanDerWaalsContact C-N 3.25Å; N3750-F3752 PolarHBondContact O-N 3.05Å; N3750-F3752 VanDerWaalsContact O-N 3.12Å; N3750-D3753 WeakPolarHBondContact O-CB 3.48Å; N3750-D3753 PolarHBondContact O-N 3.24Å; N3750-E3754 PolarHBondContact O-N 2.95Å; N3750-E3754 VanDerWaalsContact O-N 3.07Å |
| 3751 | E | 68.6 | Low | 64.4 | Low | 118.4 Ų | 118.4 | 81.7 Ų | 81.7 | 55% | 0.553 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.8 | -26.6 | 172.3 | -72.2 | -176.9 | 173.2 | 0 | 0 | 112.7 | N3747 L3748 L3749 D3753 N3771 | N3747-E3751 PolarHBondContact O-N 3.02Å; N3747-E3751 VanDerWaalsContact O-N 3.12Å; L3748-E3751 PolarHBondContact O-N 3.36Å; L3749-E3751 VanDerWaalsContact C-N 3.31Å; L3749-E3751 PolarHBondContact O-N 2.84Å; E3751-D3753 VanDerWaalsContact C-N 3.3Å; E3751-D3753 PolarHBondContact O-N 2.88Å; E3751-N3771 PolarHBondContact OE2-ND2 3.07Å |
| 3752 | F | 66.6 | Low | 63.3 | Low | 9.6 Ų | 9.6 | 84.8 Ų | 84.8 | 4% | 0.042 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -16.8 | 174.3 | -59.5 | -54.6 | 0 | 0 | 0 | 113.6 | L3748 L3749 N3750 N3756 F3757 I3765 I3767 L3775 L3811 | L3748-F3752 WeakPolarHBondContact O-CD2 3.19Å; L3748-F3752 VanDerWaalsContact O-CE2 3.24Å; L3748-F3752 WeakPolarHBondContact O-CE2 3.2Å; L3748-F3752 PolarHBondContact O-N 3.45Å; L3749-F3752 HydrophobicContact CD2-CD2 4.35Å; L3749-F3752 WeakPolarHBondContact O-CA 3.19Å; L3749-F3752 WeakPolarHBondContact O-CB 3.38Å; L3749-F3752 PolarHBondContact O-N 3.22Å; N3750-F3752 VanDerWaalsContact C-N 3.25Å; N3750-F3752 PolarHBondContact O-N 3.05Å; N3750-F3752 VanDerWaalsContact O-N 3.12Å; F3752-N3756 VanDerWaalsContact O-CB 3.25Å; F3752-N3756 WeakPolarHBondContact O-CB 3.47Å; F3752-N3756 PolarHBondContact O-N 3.43Å; F3752-N3756 PolarHBondContact O-ND2 2.95Å; F3752-F3757 WeakPolarHBondContact O-CE2 3.35Å; F3752-I3765 HydrophobicContact CB-CG2 4.3Å; F3752-I3765 HydrophobicContact CD1-CG2 3.58Å; F3752-I3765 VanDerWaalsContact CD1-CG2 3.45Å; F3752-I3765 HydrophobicContact CE1-CG2 4.15Å; F3752-I3765 HydrophobicContact CG-CG2 4.2Å; F3752-I3767 HydrophobicContact CD1-CD1 3.85Å; F3752-I3767 HydrophobicContact CD1-CG1 3.89Å; F3752-I3767 HydrophobicContact CD2-CD1 4.12Å; F3752-I3767 HydrophobicContact CE1-CB 4.04Å; F3752-I3767 HydrophobicContact CE1-CD1 3.95Å; F3752-I3767 VanDerWaalsContact CE1-CD1 3.43Å; F3752-I3767 HydrophobicContact CE1-CG1 3.81Å; F3752-I3767 VanDerWaalsContact CE1-CG1 3.41Å; F3752-I3767 HydrophobicContact CE1-CG2 3.9Å; F3752-I3767 HydrophobicContact CE2-CD1 3.92Å; F3752-I3767 HydrophobicContact CG-CD1 4.23Å; F3752-I3767 HydrophobicContact CZ-CB 4.26Å; F3752-I3767 HydrophobicContact CZ-CD1 3.51Å; F3752-I3767 HydrophobicContact CZ-CG1 3.71Å; F3752-I3767 VanDerWaalsContact CZ-CG1 3.46Å; F3752-I3767 HydrophobicContact CZ-CG2 3.81Å; F3752-L3775 HydrophobicContact CE2-CD1 4.15Å; F3752-L3775 HydrophobicContact CZ-CD1 4.36Å; F3752-L3811 HydrophobicContact CZ-CD1 4.47Å |
| 3753 | D | 59.7 | Low | 62.4 | Low | 45.2 Ų | 45.2 | 85.6 Ų | 85.6 | 24% | 0.242 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -93.1 | -22.1 | -171.6 | -86.2 | -27.3 | 0 | 0 | 0 | 113.9 | L3749 N3750 E3751 E3755 N3756 F3757 R3820 | L3749-D3753 PolarHBondContact O-N 3.18Å; N3750-D3753 WeakPolarHBondContact O-CB 3.48Å; N3750-D3753 PolarHBondContact O-N 3.24Å; E3751-D3753 VanDerWaalsContact C-N 3.3Å; E3751-D3753 PolarHBondContact O-N 2.88Å; D3753-E3755 PolarHBondContact O-N 3.41Å; D3753-N3756 PolarHBondContact O-N 2.91Å; D3753-F3757 HydrophobicContact CB-CD2 4.16Å; D3753-F3757 HydrophobicContact CB-CE2 4.06Å; D3753-F3757 WeakPolarHBondContact O-CD2 3.44Å; D3753-F3757 PolarHBondContact O-N 2.87Å; D3753-F3757 WeakPolarHBondContact OD1-CD2 3.43Å; D3753-F3757 WeakPolarHBondContact OD1-CE2 3.46Å; D3753-R3820 VanDerWaalsContact CG-CZ 3.49Å; D3753-R3820 VanDerWaalsContact CG-NH1 3.26Å; D3753-R3820 IonicContact OD1-CZ 3.32Å; D3753-R3820 IonicContact OD1-NH1 3.57Å; D3753-R3820 PolarHBondContact OD1-NH1 2.94Å; D3753-R3820 IonicContact OD1-NH2 3.2Å; D3753-R3820 PolarHBondContact OD1-NH2 3.14Å; D3753-R3820 IonicContact OD2-CZ 3.08Å; D3753-R3820 VanDerWaalsContact OD2-CZ 3.28Å; D3753-R3820 IonicContact OD2-NE 3.32Å; D3753-R3820 IonicContact OD2-NH1 3.58Å; D3753-R3820 PolarHBondContact OD2-NH1 2.86Å; D3753-R3820 IonicContact OD2-NH2 3.36Å; D3753-R3820 PolarHBondContact OD2-NH2 3.16Å |
| 3754 | E | 51.6 | Low | 61.8 | Low | 179.2 Ų | 179.2 | 86.2 Ų | 86.2 | 84% | 0.837 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -82.6 | -28.4 | -179.4 | -75 | -165.6 | 165.9 | 0 | 0 | 114.1 | N3750 | N3750-E3754 PolarHBondContact O-N 2.95Å; N3750-E3754 VanDerWaalsContact O-N 3.07Å |
| 3755 | E | 50 | Low | 61.4 | Low | 163.2 Ų | 163.2 | 84.4 Ų | 84.4 | 76% | 0.763 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -107.7 | -22 | -178.4 | -67.4 | -167.6 | 155.8 | 0 | 0 | 115.2 | D3753 | D3753-E3755 PolarHBondContact O-N 3.41Å |
| 3756 | N | 50.4 | Low | 60.9 | Low | 40.8 Ų | 40.8 | 88.2 Ų | 88.2 | 22% | 0.218 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -99.6 | -20.5 | -164.4 | -69 | -51.7 | 0 | 0 | 0 | 115.8 | F3752 D3753 I3758 K3759 L3762 I3765 | F3752-N3756 VanDerWaalsContact O-CB 3.25Å; F3752-N3756 WeakPolarHBondContact O-CB 3.47Å; F3752-N3756 PolarHBondContact O-N 3.43Å; F3752-N3756 PolarHBondContact O-ND2 2.95Å; D3753-N3756 PolarHBondContact O-N 2.91Å; N3756-I3758 VanDerWaalsContact C-N 3.32Å; N3756-I3758 PolarHBondContact O-N 3.3Å; N3756-I3758 VanDerWaalsContact O-N 3.12Å; N3756-K3759 PolarHBondContact O-N 3.19Å; N3756-L3762 HydrophobicContact CB-CD1 4.26Å; N3756-L3762 WeakPolarHBondContact O-CD1 3.47Å; N3756-I3765 WeakPolarHBondContact ND2-CG2 3.05Å |
| 3757 | F | 48.1 | Very low | 60.5 | Low | 124.8 Ų | 124.8 | 86.3 Ų | 86.3 | 55% | 0.547 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -6.1 | -175.6 | -90.5 | -79.8 | 0 | 0 | 0 | 115.5 | F3752 D3753 K3759 I3765 R3820 | F3752-F3757 WeakPolarHBondContact O-CE2 3.35Å; D3753-F3757 HydrophobicContact CB-CD2 4.16Å; D3753-F3757 HydrophobicContact CB-CE2 4.06Å; D3753-F3757 WeakPolarHBondContact O-CD2 3.44Å; D3753-F3757 PolarHBondContact O-N 2.87Å; D3753-F3757 WeakPolarHBondContact OD1-CD2 3.43Å; D3753-F3757 WeakPolarHBondContact OD1-CE2 3.46Å; F3757-K3759 VanDerWaalsContact C-N 3.33Å; F3757-K3759 PolarHBondContact O-N 2.89Å; F3757-I3765 HydrophobicContact CE1-CD1 4.45Å; F3757-I3765 HydrophobicContact CE2-CD1 4.07Å; F3757-I3765 HydrophobicContact CZ-CD1 3.57Å; F3757-R3820 VanDerWaalsContact CE2-NH2 3.33Å |
| 3758 | I | 49.1 | Very low | 60.2 | Low | 149.8 Ų | 149.8 | 88.4 Ų | 88.4 | 77% | 0.768 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -9.9 | -179.4 | -57.3 | 176.7 | 0 | 0 | 0 | 112.3 | N3756 P3760 | N3756-I3758 VanDerWaalsContact C-N 3.32Å; N3756-I3758 PolarHBondContact O-N 3.3Å; N3756-I3758 VanDerWaalsContact O-N 3.12Å; I3758-P3760 WeakPolarHBondContact O-CD 3.33Å |
| 3759 | K | 48.5 | Very low | 59.9 | Low | 144.4 Ų | 144.4 | 93 Ų | 93 | 63% | 0.628 | 48% | 0.481 | S | S | * | . | trans | -107.7 | 110.5 | -178.5 | -72.5 | 175.7 | -178.4 | 169.4 | 0 | 112.4 | N3756 F3757 N3761 L3762 | N3756-K3759 PolarHBondContact O-N 3.19Å; F3757-K3759 VanDerWaalsContact C-N 3.33Å; F3757-K3759 PolarHBondContact O-N 2.89Å; K3759-N3761 PolarHBondContact O-N 3.21Å; K3759-L3762 HydrophobicContact CB-CB 4.48Å; K3759-L3762 HydrophobicContact CB-CD1 3.75Å; K3759-L3762 VanDerWaalsContact CB-CD1 3.46Å; K3759-L3762 HydrophobicContact CB-CG 4.29Å; K3759-L3762 HydrophobicContact CD-CD1 3.94Å; K3759-L3762 VanDerWaalsContact CD-CD1 3.45Å; K3759-L3762 HydrophobicContact CD-CG 4.39Å; K3759-L3762 HydrophobicContact CG-CD1 4.3Å; K3759-L3762 PolarHBondContact O-N 2.93Å | ||
| 3760 | P | 46.5 | Very low | 59.6 | Low | 126.6 Ų | 126.6 | 98 Ų | 98 | 82% | 0.822 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 5.4 | -171.6 | 20.6 | -25 | 0 | 0 | 0 | 116.5 | I3758 | I3758-P3760 WeakPolarHBondContact O-CD 3.33Š|
| 3761 | N | 52.2 | Low | 59.4 | Low | 149.6 Ų | 149.6 | 95.1 Ų | 95.1 | 80% | 0.8 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.5 | 14.3 | -175.7 | -70.1 | -20.3 | 0 | 0 | 0 | 114 | K3759 T3763 | K3759-N3761 PolarHBondContact O-N 3.21Å; N3761-T3763 PolarHBondContact O-N 3.13Å |
| 3762 | L | 53.7 | Low | 59.5 | Low | 64.8 Ų | 64.8 | 90.4 Ų | 90.4 | 34% | 0.339 | 47% | 0.468 | S | S | . | . | trans | -76.7 | 112.5 | 177.8 | -96 | 153.7 | 0 | 0 | 0 | 110.2 | N3756 K3759 Q3764 I3765 V3813 | N3756-L3762 HydrophobicContact CB-CD1 4.26Å; N3756-L3762 WeakPolarHBondContact O-CD1 3.47Å; K3759-L3762 HydrophobicContact CB-CB 4.48Å; K3759-L3762 HydrophobicContact CB-CD1 3.75Å; K3759-L3762 VanDerWaalsContact CB-CD1 3.46Å; K3759-L3762 HydrophobicContact CB-CG 4.29Å; K3759-L3762 HydrophobicContact CD-CD1 3.94Å; K3759-L3762 VanDerWaalsContact CD-CD1 3.45Å; K3759-L3762 HydrophobicContact CD-CG 4.39Å; K3759-L3762 HydrophobicContact CG-CD1 4.3Å; K3759-L3762 PolarHBondContact O-N 2.93Å; L3762-Q3764 VanDerWaalsContact C-N 3.34Å; L3762-Q3764 WeakPolarHBondContact CD2-O 3.35Å; L3762-I3765 HydrophobicContact CD2-CG1 4.05Å; L3762-V3813 VanDerWaalsContact O-CG2 3.3Å; L3762-V3813 WeakPolarHBondContact O-CG2 3.33Å | ||
| 3763 | T | 59.4 | Low | 59.6 | Low | 107 Ų | 107 | 95 Ų | 95 | 66% | 0.656 | 49% | 0.488 | S | S | * | . | trans | -90.9 | -12.4 | 172.7 | 50.6 | 0 | 0 | 0 | 0 | 112.8 | N3761 V3813 | N3761-T3763 PolarHBondContact O-N 3.13Å; T3763-V3813 PolarHBondContact O-N 3.17Å | ||
| 3764 | Q | 63.8 | Low | 60.2 | Low | 103.8 Ų | 103.8 | 94 Ų | 94 | 49% | 0.485 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 131.9 | -166.9 | -75.1 | -176 | -3.8 | 0 | 0 | 111 | L3762 V3810 L3811 | L3762-Q3764 VanDerWaalsContact C-N 3.34Å; L3762-Q3764 WeakPolarHBondContact CD2-O 3.35Å; Q3764-V3810 HydrophobicContact CB-CB 4.03Å; Q3764-V3810 HydrophobicContact CB-CG1 3.42Å; Q3764-V3810 VanDerWaalsContact CB-CG1 3.45Å; Q3764-V3810 HydrophobicContact CB-CG2 4.27Å; Q3764-V3810 HydrophobicContact CG-CG1 4.16Å; Q3764-V3810 HydrophobicContact CG-CG2 4.46Å; Q3764-L3811 CarbonylContact C-O 3.57Å; Q3764-L3811 VanDerWaalsContact CA-O 3.28Å; Q3764-L3811 WeakPolarHBondContact CA-O 3.35Å |
| 3765 | I | 67.8 | Low | 61.2 | Low | 6.8 Ų | 6.8 | 85.5 Ų | 85.5 | 4% | 0.035 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 127.1 | -176.6 | -64.4 | 164.3 | 0 | 0 | 0 | 110.4 | F3752 N3756 F3757 L3762 I3767 V3810 L3811 V3813 V3816 | F3752-I3765 HydrophobicContact CB-CG2 4.3Å; F3752-I3765 HydrophobicContact CD1-CG2 3.58Å; F3752-I3765 VanDerWaalsContact CD1-CG2 3.45Å; F3752-I3765 HydrophobicContact CE1-CG2 4.15Å; F3752-I3765 HydrophobicContact CG-CG2 4.2Å; N3756-I3765 WeakPolarHBondContact ND2-CG2 3.05Å; F3757-I3765 HydrophobicContact CE1-CD1 4.45Å; F3757-I3765 HydrophobicContact CE2-CD1 4.07Å; F3757-I3765 HydrophobicContact CZ-CD1 3.57Å; L3762-I3765 HydrophobicContact CD2-CG1 4.05Å; I3765-I3767 HydrophobicContact CG2-CG1 4.42Å; I3765-V3810 VanDerWaalsContact C-CG1 3.42Å; I3765-V3810 CarbonylContact O-C 3.5Å; I3765-V3810 VanDerWaalsContact O-CA 3.26Å; I3765-V3810 WeakPolarHBondContact O-CA 3.39Å; I3765-V3810 VanDerWaalsContact O-CG1 3.27Å; I3765-V3810 WeakPolarHBondContact O-CG1 3.34Å; I3765-L3811 PolarHBondContact N-O 3.12Å; I3765-L3811 PolarHBondContact O-N 2.98Å; I3765-V3813 HydrophobicContact CD1-CG2 3.95Å; I3765-V3813 HydrophobicContact CG1-CG2 4.12Å; I3765-V3816 HydrophobicContact CD1-CB 4.25Å; I3765-V3816 HydrophobicContact CD1-CG1 4.38Å; I3765-V3816 HydrophobicContact CD1-CG2 3.85Å |
| 3766 | P | 67.1 | Low | 62.2 | Low | 79.8 Ų | 79.8 | 77.9 Ų | 77.9 | 52% | 0.518 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 138.2 | 178.3 | 27.3 | -33.4 | 0 | 0 | 0 | 111.6 | S3809 | P3766-S3809 VanDerWaalsContact CA-O 3.32Å; P3766-S3809 WeakPolarHBondContact CA-O 3.39Å |
| 3767 | I | 70 | Confident | 63.2 | Low | 15.8 Ų | 15.8 | 77.3 Ų | 77.3 | 8% | 0.081 | 40% | 0.404 | C | S | . | . | trans | -129 | 136.5 | 178.5 | -155.1 | 176.7 | 0 | 0 | 0 | 111.1 | F3752 I3765 N3771 R3772 L3775 S3809 L3811 | F3752-I3767 HydrophobicContact CD1-CD1 3.85Å; F3752-I3767 HydrophobicContact CD1-CG1 3.89Å; F3752-I3767 HydrophobicContact CD2-CD1 4.12Å; F3752-I3767 HydrophobicContact CE1-CB 4.04Å; F3752-I3767 HydrophobicContact CE1-CD1 3.95Å; F3752-I3767 VanDerWaalsContact CE1-CD1 3.43Å; F3752-I3767 HydrophobicContact CE1-CG1 3.81Å; F3752-I3767 VanDerWaalsContact CE1-CG1 3.41Å; F3752-I3767 HydrophobicContact CE1-CG2 3.9Å; F3752-I3767 HydrophobicContact CE2-CD1 3.92Å; F3752-I3767 HydrophobicContact CG-CD1 4.23Å; F3752-I3767 HydrophobicContact CZ-CB 4.26Å; F3752-I3767 HydrophobicContact CZ-CD1 3.51Å; F3752-I3767 HydrophobicContact CZ-CG1 3.71Å; F3752-I3767 VanDerWaalsContact CZ-CG1 3.46Å; F3752-I3767 HydrophobicContact CZ-CG2 3.81Å; I3765-I3767 HydrophobicContact CG2-CG1 4.42Å; I3767-N3771 HydrophobicContact CD1-CB 4.24Å; I3767-N3771 HydrophobicContact CG1-CB 4.02Å; I3767-R3772 HydrophobicContact CD1-CB 3.87Å; I3767-R3772 HydrophobicContact CD1-CG 4.36Å; I3767-R3772 HydrophobicContact CG1-CB 4.2Å; I3767-R3772 HydrophobicContact CG2-CB 4.14Å; I3767-R3772 HydrophobicContact CG2-CG 4.32Å; I3767-L3775 HydrophobicContact CD1-CD1 3.97Å; I3767-S3809 PolarHBondContact N-O 2.86Å; I3767-S3809 VanDerWaalsContact N-O 3.15Å; I3767-L3811 HydrophobicContact CB-CD1 3.98Å; I3767-L3811 HydrophobicContact CD1-CB 3.76Å; I3767-L3811 HydrophobicContact CD1-CD1 3.47Å; I3767-L3811 VanDerWaalsContact CD1-CD1 3.41Å; I3767-L3811 HydrophobicContact CD1-CD2 4.22Å; I3767-L3811 HydrophobicContact CD1-CG 4.11Å; I3767-L3811 HydrophobicContact CG1-CB 4.27Å; I3767-L3811 HydrophobicContact CG1-CD1 4.19Å; I3767-L3811 HydrophobicContact CG2-CD1 3.73Å; I3767-L3811 HydrophobicContact CG2-CG 4.03Å | ||
| 3768 | Q | 70 | Confident | 64.5 | Low | 126.2 Ų | 126.2 | 71.5 Ų | 71.5 | 59% | 0.59 | 38% | 0.378 | S | S | * | . | trans | -68.6 | 142.5 | 172.9 | -65.4 | -171.1 | 7.2 | 0 | 0 | 111.1 | I3770 N3771 R3772 | Q3768-I3770 VanDerWaalsContact C-N 3.28Å; Q3768-I3770 PolarHBondContact O-N 3.08Å; Q3768-I3770 VanDerWaalsContact O-N 3.13Å; Q3768-N3771 HydrophobicContact CB-CB 4.48Å; Q3768-N3771 PolarHBondContact O-N 3.11Å; Q3768-N3771 VanDerWaalsContact O-N 3.16Å; Q3768-R3772 WeakPolarHBondContact O-CB 3.31Å; Q3768-R3772 PolarHBondContact O-N 3.2Å | ||
| 3769 | P | 66.2 | Low | 65.7 | Low | 105 Ų | 105 | 64.4 Ų | 64.4 | 68% | 0.682 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -56.6 | -34.5 | -177.8 | -17.4 | 21.8 | 0 | 0 | 0 | 114.3 | R3772 K3773 | P3769-R3772 PolarHBondContact O-N 3.32Å; P3769-K3773 WeakPolarHBondContact O-CB 3.4Å; P3769-K3773 WeakPolarHBondContact O-CG 3.32Å; P3769-K3773 PolarHBondContact O-N 3.21Å; P3769-K3773 VanDerWaalsContact O-N 3.08Å |
| 3770 | I | 68.5 | Low | 66.8 | Low | 113.4 Ų | 113.4 | 58 Ų | 58 | 58% | 0.582 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66.4 | -51.5 | 178.6 | -63.2 | 168.2 | 0 | 0 | 0 | 110.3 | Q3768 R3772 K3773 N3774 | Q3768-I3770 VanDerWaalsContact C-N 3.28Å; Q3768-I3770 PolarHBondContact O-N 3.08Å; Q3768-I3770 VanDerWaalsContact O-N 3.13Å; I3770-R3772 VanDerWaalsContact C-N 3.27Å; I3770-R3772 PolarHBondContact O-N 3.18Å; I3770-K3773 WeakPolarHBondContact O-CB 3.37Å; I3770-K3773 PolarHBondContact O-N 3.22Å; I3770-K3773 VanDerWaalsContact O-N 3.13Å; I3770-N3774 VanDerWaalsContact O-CG 3.29Å; I3770-N3774 PolarHBondContact O-N 3.24Å; I3770-N3774 PolarHBondContact O-ND2 3.35Å; I3770-N3774 PolarHBondContact O-OD1 3.07Å |
| 3771 | N | 70.3 | Confident | 68.1 | Low | 23 Ų | 23 | 52.1 Ų | 52.1 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.7 | -37.2 | 177.3 | -71.2 | 1.2 | 0 | 0 | 0 | 111.8 | L3748 E3751 I3767 Q3768 N3774 L3775 | L3748-N3771 HydrophobicContact CD2-CB 3.7Å; L3748-N3771 VanDerWaalsContact CD2-CG 3.47Å; E3751-N3771 PolarHBondContact OE2-ND2 3.07Å; I3767-N3771 HydrophobicContact CD1-CB 4.24Å; I3767-N3771 HydrophobicContact CG1-CB 4.02Å; Q3768-N3771 HydrophobicContact CB-CB 4.48Å; Q3768-N3771 PolarHBondContact O-N 3.11Å; Q3768-N3771 VanDerWaalsContact O-N 3.16Å; N3771-N3774 PolarHBondContact O-N 2.99Å; N3771-L3775 VanDerWaalsContact O-CB 3.27Å; N3771-L3775 WeakPolarHBondContact O-CB 3.29Å; N3771-L3775 WeakPolarHBondContact O-CG 3.26Å; N3771-L3775 PolarHBondContact O-N 3.07Å |
| 3772 | R | 69.6 | Low | 69.2 | Low | 19.2 Ų | 19.2 | 45 Ų | 45 | 7% | 0.072 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.1 | -44.4 | 175.9 | -165.1 | 179.6 | -175.7 | -159.1 | -7.3 | 112.5 | I3767 Q3768 P3769 I3770 N3774 L3775 S3776 Y3802 L3803 D3805 C3808 L3811 | I3767-R3772 HydrophobicContact CD1-CB 3.87Å; I3767-R3772 HydrophobicContact CD1-CG 4.36Å; I3767-R3772 HydrophobicContact CG1-CB 4.2Å; I3767-R3772 HydrophobicContact CG2-CB 4.14Å; I3767-R3772 HydrophobicContact CG2-CG 4.32Å; Q3768-R3772 WeakPolarHBondContact O-CB 3.31Å; Q3768-R3772 PolarHBondContact O-N 3.2Å; P3769-R3772 PolarHBondContact O-N 3.32Å; I3770-R3772 VanDerWaalsContact C-N 3.27Å; I3770-R3772 PolarHBondContact O-N 3.18Å; R3772-N3774 VanDerWaalsContact C-N 3.31Å; R3772-N3774 PolarHBondContact O-N 2.72Å; R3772-L3775 PolarHBondContact O-N 3.18Å; R3772-S3776 WeakPolarHBondContact O-CB 3.44Å; R3772-S3776 PolarHBondContact O-N 3.15Å; R3772-Y3802 PolarHBondContact NE-O 3.31Å; R3772-Y3802 PolarHBondContact NH2-O 3.01Å; R3772-L3803 VanDerWaalsContact CD-O 3.3Å; R3772-L3803 WeakPolarHBondContact CD-O 3.35Å; R3772-L3803 HydrophobicContact CG-CB 4.36Å; R3772-L3803 HydrophobicContact CG-CD2 3.75Å; R3772-L3803 WeakPolarHBondContact CG-O 3.38Å; R3772-L3803 VanDerWaalsContact CZ-O 3.3Å; R3772-L3803 VanDerWaalsContact NE-C 3.33Å; R3772-L3803 PolarHBondContact NE-O 3.36Å; R3772-L3803 PolarHBondContact NH2-O 2.89Å; R3772-D3805 VanDerWaalsContact CZ-O 3.23Å; R3772-D3805 PolarHBondContact NH1-O 3.27Å; R3772-D3805 VanDerWaalsContact NH2-N 3.15Å; R3772-D3805 PolarHBondContact NH2-O 3.1Å; R3772-C3808 VanDerWaalsContact CZ-O 3.29Å; R3772-C3808 PolarHBondContact NH1-O 3.02Å; R3772-C3808 PolarHBondContact NH2-O 3.29Å; R3772-L3811 HydrophobicContact CG-CD1 4.36Å |
| 3773 | K | 69.5 | Low | 70 | Confident | 107.2 Ų | 107.2 | 42.1 Ų | 42.1 | 47% | 0.466 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.6 | -45.6 | 174.9 | -135.7 | -177.8 | 175.4 | -175.4 | 0 | 111.2 | P3769 I3770 L3775 S3776 Q3777 E3894 | P3769-K3773 WeakPolarHBondContact O-CB 3.4Å; P3769-K3773 WeakPolarHBondContact O-CG 3.32Å; P3769-K3773 PolarHBondContact O-N 3.21Å; P3769-K3773 VanDerWaalsContact O-N 3.08Å; I3770-K3773 WeakPolarHBondContact O-CB 3.37Å; I3770-K3773 PolarHBondContact O-N 3.22Å; I3770-K3773 VanDerWaalsContact O-N 3.13Å; K3773-L3775 PolarHBondContact O-N 2.95Å; K3773-S3776 WeakPolarHBondContact O-CB 3.35Å; K3773-S3776 PolarHBondContact O-N 3.19Å; K3773-Q3777 VanDerWaalsContact CE-NE2 3.34Å; K3773-Q3777 WeakPolarHBondContact O-CB 3.13Å; K3773-Q3777 WeakPolarHBondContact O-CG 2.82Å; K3773-Q3777 PolarHBondContact O-N 3.17Å; K3773-E3894 WeakPolarHBondContact CE-OE1 3.31Å; K3773-E3894 WeakPolarHBondContact CE-OE2 3.34Å; K3773-E3894 IonicContact NZ-OE1 2.94Å; K3773-E3894 PolarHBondContact NZ-OE1 3.23Å; K3773-E3894 IonicContact NZ-OE2 3.29Å; K3773-E3894 PolarHBondContact NZ-OE2 3.14Å |
| 3774 | N | 71 | Confident | 70.6 | Confident | 22.6 Ų | 22.6 | 37 Ų | 37 | 12% | 0.121 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 177.3 | -67 | -9.4 | 0 | 0 | 0 | 111.5 | L3633 I3634 L3748 I3770 N3771 R3772 S3776 Q3777 L3778 | L3633-N3774 VanDerWaalsContact CD1-ND2 3.3Å; L3633-N3774 WeakPolarHBondContact CD1-ND2 3.35Å; I3634-N3774 HydrophobicContact CD1-CB 3.96Å; I3634-N3774 WeakPolarHBondContact CD1-OD1 3.47Å; L3748-N3774 HydrophobicContact CD1-CB 4.35Å; I3770-N3774 VanDerWaalsContact O-CG 3.29Å; I3770-N3774 PolarHBondContact O-N 3.24Å; I3770-N3774 PolarHBondContact O-ND2 3.35Å; I3770-N3774 PolarHBondContact O-OD1 3.07Å; N3771-N3774 PolarHBondContact O-N 2.99Å; R3772-N3774 VanDerWaalsContact C-N 3.31Å; R3772-N3774 PolarHBondContact O-N 2.72Å; N3774-S3776 VanDerWaalsContact C-N 3.34Å; N3774-S3776 PolarHBondContact O-N 3.09Å; N3774-Q3777 PolarHBondContact O-N 3.18Å; N3774-Q3777 VanDerWaalsContact O-N 3.15Å; N3774-L3778 WeakPolarHBondContact O-CB 3.46Å; N3774-L3778 VanDerWaalsContact O-CG 3.25Å; N3774-L3778 WeakPolarHBondContact O-CG 3.38Å; N3774-L3778 PolarHBondContact O-N 3.13Å |
| 3775 | L | 72.8 | Confident | 71 | Confident | 0.8 Ų | 0.8 | 32.3 Ų | 32.3 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.4 | -41.9 | 178.7 | -137.5 | 158 | 0 | 0 | 0 | 111.8 | L3745 L3748 F3752 I3767 N3771 R3772 K3773 Q3777 L3778 L3779 L3803 L3811 F3819 | L3745-L3775 HydrophobicContact CD2-CD1 4.32Å; L3745-L3775 HydrophobicContact CD2-CD2 3.68Å; L3745-L3775 VanDerWaalsContact CD2-CD2 3.44Å; L3745-L3775 HydrophobicContact CD2-CG 3.98Å; L3748-L3775 HydrophobicContact CB-CD1 4.37Å; L3748-L3775 HydrophobicContact CB-CD2 4.18Å; L3748-L3775 HydrophobicContact CD1-CB 4.23Å; L3748-L3775 HydrophobicContact CD1-CD1 4.32Å; L3748-L3775 HydrophobicContact CD1-CD2 3.6Å; L3748-L3775 HydrophobicContact CD1-CG 4.25Å; F3752-L3775 HydrophobicContact CE2-CD1 4.15Å; F3752-L3775 HydrophobicContact CZ-CD1 4.36Å; I3767-L3775 HydrophobicContact CD1-CD1 3.97Å; N3771-L3775 VanDerWaalsContact O-CB 3.27Å; N3771-L3775 WeakPolarHBondContact O-CB 3.29Å; N3771-L3775 WeakPolarHBondContact O-CG 3.26Å; N3771-L3775 PolarHBondContact O-N 3.07Å; R3772-L3775 PolarHBondContact O-N 3.18Å; K3773-L3775 PolarHBondContact O-N 2.95Å; L3775-Q3777 VanDerWaalsContact C-N 3.33Å; L3775-Q3777 PolarHBondContact O-N 3.45Å; L3775-L3778 PolarHBondContact O-N 3.09Å; L3775-L3779 HydrophobicContact CD2-CD1 3.62Å; L3775-L3779 VanDerWaalsContact CD2-CD1 3.46Å; L3775-L3779 HydrophobicContact CD2-CG 4.24Å; L3775-L3779 WeakPolarHBondContact O-CB 3.36Å; L3775-L3779 WeakPolarHBondContact O-CD1 3.4Å; L3775-L3779 VanDerWaalsContact O-CG 3.29Å; L3775-L3779 WeakPolarHBondContact O-CG 3.39Å; L3775-L3779 PolarHBondContact O-N 3.18Å; L3775-L3779 VanDerWaalsContact O-N 3.11Å; L3775-L3803 HydrophobicContact CB-CD1 4.09Å; L3775-L3803 HydrophobicContact CB-CD2 4.13Å; L3775-L3803 HydrophobicContact CD1-CD2 4.01Å; L3775-L3803 HydrophobicContact CD2-CD1 3.78Å; L3775-L3803 HydrophobicContact CD2-CD2 3.82Å; L3775-L3803 HydrophobicContact CD2-CG 4.19Å; L3775-L3811 HydrophobicContact CD1-CD1 4.15Å; L3775-F3819 HydrophobicContact CD1-CD2 4.32Å; L3775-F3819 HydrophobicContact CD1-CE2 4.18Å; L3775-F3819 HydrophobicContact CD2-CD1 4.32Å; L3775-F3819 HydrophobicContact CD2-CD2 3.86Å; L3775-F3819 HydrophobicContact CD2-CE1 4.26Å; L3775-F3819 HydrophobicContact CD2-CE2 3.58Å; L3775-F3819 HydrophobicContact CD2-CG 4.27Å; L3775-F3819 HydrophobicContact CD2-CZ 3.92Å; L3775-F3819 HydrophobicContact CG-CE2 4.46Å |
| 3776 | S | 72.1 | Confident | 71.1 | Confident | 4.2 Ų | 4.2 | 34.1 Ų | 34.1 | 3% | 0.029 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.3 | -50.2 | 171.9 | 170 | 0 | 0 | 0 | 0 | 111.1 | R3772 K3773 N3774 L3778 L3779 R3780 F3800 H3804 | R3772-S3776 WeakPolarHBondContact O-CB 3.44Å; R3772-S3776 PolarHBondContact O-N 3.15Å; K3773-S3776 WeakPolarHBondContact O-CB 3.35Å; K3773-S3776 PolarHBondContact O-N 3.19Å; N3774-S3776 VanDerWaalsContact C-N 3.34Å; N3774-S3776 PolarHBondContact O-N 3.09Å; S3776-L3778 VanDerWaalsContact C-N 3.35Å; S3776-L3778 PolarHBondContact O-N 2.99Å; S3776-L3779 PolarHBondContact O-N 3.17Å; S3776-L3779 VanDerWaalsContact O-N 3.15Å; S3776-R3780 WeakPolarHBondContact O-CB 3.21Å; S3776-R3780 WeakPolarHBondContact O-CG 3.26Å; S3776-R3780 PolarHBondContact O-N 3.11Å; S3776-F3800 VanDerWaalsContact C-CZ 3.45Å; S3776-F3800 VanDerWaalsContact O-CE1 3.22Å; S3776-F3800 WeakPolarHBondContact O-CE1 3.26Å; S3776-F3800 VanDerWaalsContact O-CE2 3.32Å; S3776-F3800 WeakPolarHBondContact O-CE2 3.23Å; S3776-F3800 VanDerWaalsContact O-CZ 3.27Å; S3776-F3800 WeakPolarHBondContact O-CZ 3.29Å; S3776-F3800 VanDerWaalsContact OG-CE1 3.23Å; S3776-F3800 WeakPolarHBondContact OG-CE1 3.44Å; S3776-F3800 VanDerWaalsContact OG-CE2 3.28Å; S3776-F3800 WeakPolarHBondContact OG-CE2 3.43Å; S3776-F3800 VanDerWaalsContact OG-CZ 3.24Å; S3776-F3800 WeakPolarHBondContact OG-CZ 3.4Å; S3776-H3804 PolarHBondContact OG-NE2 3.3Å |
| 3777 | Q | 71.7 | Confident | 70.9 | Confident | 28.2 Ų | 28.2 | 36.5 Ų | 36.5 | 13% | 0.132 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.7 | -39.6 | -178 | -124 | 157.8 | -11.9 | 0 | 0 | 112.6 | I3634 K3773 N3774 L3775 L3779 R3780 V3781 T3892 | I3634-Q3777 HydrophobicContact CB-CG 4.5Å; I3634-Q3777 HydrophobicContact CD1-CB 3.68Å; I3634-Q3777 VanDerWaalsContact CD1-CB 3.43Å; I3634-Q3777 HydrophobicContact CD1-CG 3.96Å; I3634-Q3777 VanDerWaalsContact CD1-OE1 3.23Å; I3634-Q3777 HydrophobicContact CG2-CB 4.18Å; I3634-Q3777 HydrophobicContact CG2-CG 3.79Å; I3634-Q3777 VanDerWaalsContact CG2-CG 3.47Å; K3773-Q3777 VanDerWaalsContact CE-NE2 3.34Å; K3773-Q3777 WeakPolarHBondContact O-CB 3.13Å; K3773-Q3777 WeakPolarHBondContact O-CG 2.82Å; K3773-Q3777 PolarHBondContact O-N 3.17Å; N3774-Q3777 PolarHBondContact O-N 3.18Å; N3774-Q3777 VanDerWaalsContact O-N 3.15Å; L3775-Q3777 VanDerWaalsContact C-N 3.33Å; L3775-Q3777 PolarHBondContact O-N 3.45Å; Q3777-L3779 PolarHBondContact O-N 3.23Å; Q3777-R3780 WeakPolarHBondContact O-CB 3.42Å; Q3777-R3780 PolarHBondContact O-N 3.25Å; Q3777-R3780 VanDerWaalsContact O-N 3.16Å; Q3777-V3781 VanDerWaalsContact O-CG2 3.31Å; Q3777-V3781 WeakPolarHBondContact O-CG2 3.37Å; Q3777-V3781 PolarHBondContact O-N 2.99Å; Q3777-T3892 PolarHBondContact NE2-O 2.85Å; Q3777-T3892 VanDerWaalsContact NE2-O 3.12Å |
| 3778 | L | 75 | Confident | 70.5 | Confident | 2.8 Ų | 2.8 | 36.7 Ų | 36.7 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61 | -44.4 | 175.7 | -72 | 168.6 | 0 | 0 | 0 | 112.3 | I3634 I3741 E3744 L3745 L3748 N3774 L3775 S3776 R3780 V3781 S3782 | I3634-L3778 HydrophobicContact CD1-CD2 3.95Å; I3634-L3778 HydrophobicContact CD1-CG 3.97Å; I3634-L3778 HydrophobicContact CG1-CD2 4.13Å; I3634-L3778 HydrophobicContact CG1-CG 4.42Å; I3634-L3778 HydrophobicContact CG2-CD2 3.94Å; I3634-L3778 HydrophobicContact CG2-CG 3.92Å; I3741-L3778 HydrophobicContact CB-CD2 4.26Å; I3741-L3778 HydrophobicContact CG1-CD2 3.88Å; I3741-L3778 HydrophobicContact CG2-CB 4.38Å; I3741-L3778 HydrophobicContact CG2-CD2 4.25Å; E3744-L3778 HydrophobicContact CB-CD1 3.75Å; E3744-L3778 HydrophobicContact CB-CD2 4.24Å; E3744-L3778 HydrophobicContact CG-CD1 4.48Å; E3744-L3778 HydrophobicContact CG-CD2 4.36Å; L3745-L3778 HydrophobicContact CD2-CB 4.23Å; L3745-L3778 HydrophobicContact CD2-CD1 3.98Å; L3745-L3778 HydrophobicContact CG-CB 4.47Å; L3745-L3778 HydrophobicContact CG-CD1 4.2Å; L3748-L3778 HydrophobicContact CD1-CD1 3.91Å; N3774-L3778 WeakPolarHBondContact O-CB 3.46Å; N3774-L3778 VanDerWaalsContact O-CG 3.25Å; N3774-L3778 WeakPolarHBondContact O-CG 3.38Å; N3774-L3778 PolarHBondContact O-N 3.13Å; L3775-L3778 PolarHBondContact O-N 3.09Å; S3776-L3778 VanDerWaalsContact C-N 3.35Å; S3776-L3778 PolarHBondContact O-N 2.99Å; L3778-R3780 VanDerWaalsContact C-N 3.31Å; L3778-R3780 PolarHBondContact O-N 3.23Å; L3778-V3781 PolarHBondContact O-N 3.25Å; L3778-S3782 WeakPolarHBondContact O-CB 3.4Å; L3778-S3782 PolarHBondContact O-N 3.08Å; L3778-S3782 PolarHBondContact O-OG 3.31Å |
| 3779 | L | 73.4 | Confident | 70 | Confident | 0.2 Ų | 0.2 | 34.3 Ų | 34.3 | 0% | 0.001 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.2 | -38.1 | 176.2 | -69.6 | 169.3 | 0 | 0 | 0 | 111.6 | L3745 L3775 S3776 Q3777 V3781 S3782 L3783 M3796 F3800 L3803 F3819 F3822 | L3745-L3779 HydrophobicContact CD1-CD2 4.45Å; L3745-L3779 HydrophobicContact CD2-CD2 4.46Å; L3775-L3779 HydrophobicContact CD2-CD1 3.62Å; L3775-L3779 VanDerWaalsContact CD2-CD1 3.46Å; L3775-L3779 HydrophobicContact CD2-CG 4.24Å; L3775-L3779 WeakPolarHBondContact O-CB 3.36Å; L3775-L3779 WeakPolarHBondContact O-CD1 3.4Å; L3775-L3779 VanDerWaalsContact O-CG 3.29Å; L3775-L3779 WeakPolarHBondContact O-CG 3.39Å; L3775-L3779 PolarHBondContact O-N 3.18Å; L3775-L3779 VanDerWaalsContact O-N 3.11Å; S3776-L3779 PolarHBondContact O-N 3.17Å; S3776-L3779 VanDerWaalsContact O-N 3.15Å; Q3777-L3779 PolarHBondContact O-N 3.23Å; L3779-V3781 PolarHBondContact O-N 3.48Å; L3779-S3782 VanDerWaalsContact CA-OG 3.24Å; L3779-S3782 WeakPolarHBondContact CA-OG 3.2Å; L3779-S3782 WeakPolarHBondContact O-CB 3.3Å; L3779-S3782 PolarHBondContact O-N 2.96Å; L3779-S3782 PolarHBondContact O-OG 3.25Å; L3779-S3782 VanDerWaalsContact O-OG 3.1Å; L3779-L3783 WeakPolarHBondContact O-CG 3.29Å; L3779-L3783 PolarHBondContact O-N 3.32Å; L3779-M3796 HydrophobicContact CB-CE 4.21Å; L3779-M3796 HydrophobicContact CB-SD 4.48Å; L3779-M3796 HydrophobicContact CD2-CE 3.8Å; L3779-M3796 HydrophobicContact CD2-CG 4.24Å; L3779-M3796 HydrophobicContact CD2-SD 4.15Å; L3779-F3800 HydrophobicContact CB-CD1 4.36Å; L3779-F3800 HydrophobicContact CB-CD2 3.98Å; L3779-F3800 HydrophobicContact CB-CE1 3.78Å; L3779-F3800 VanDerWaalsContact CB-CE1 3.41Å; L3779-F3800 HydrophobicContact CB-CE2 3.62Å; L3779-F3800 HydrophobicContact CB-CZ 3.58Å; L3779-F3800 HydrophobicContact CD1-CD1 4.29Å; L3779-F3800 HydrophobicContact CD1-CD2 4.3Å; L3779-F3800 HydrophobicContact CD1-CE1 4.07Å; L3779-F3800 HydrophobicContact CD1-CE2 4.42Å; L3779-F3800 HydrophobicContact CD1-CZ 4.27Å; L3779-F3800 HydrophobicContact CG-CE1 4.42Å; L3779-F3800 HydrophobicContact CG-CZ 4.35Å; L3779-L3803 HydrophobicContact CD1-CD1 3.61Å; L3779-L3803 VanDerWaalsContact CD1-CD1 3.46Å; L3779-F3819 HydrophobicContact CD1-CD1 4.17Å; L3779-F3819 HydrophobicContact CD1-CE1 3.34Å; L3779-F3819 HydrophobicContact CD1-CE2 4.38Å; L3779-F3819 HydrophobicContact CD1-CZ 3.6Å; L3779-F3819 VanDerWaalsContact CD1-CZ 3.5Å; L3779-F3819 HydrophobicContact CD2-CD1 4.22Å; L3779-F3819 HydrophobicContact CD2-CE1 4.05Å; L3779-F3819 HydrophobicContact CG-CE1 4.27Å; L3779-F3822 HydrophobicContact CD2-CD1 4.12Å; L3779-F3822 HydrophobicContact CD2-CE1 4.08Å |
| 3780 | R | 72.8 | Confident | 69.5 | Low | 11.8 Ų | 11.8 | 30.1 Ų | 30.1 | 5% | 0.045 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.5 | -48.9 | 177.4 | -84.5 | 174.5 | -178.4 | 171.2 | -1.7 | 110.8 | S3776 Q3777 L3778 S3782 L3783 L3784 F3800 H3804 R3856 D3858 N3891 E3894 | S3776-R3780 WeakPolarHBondContact O-CB 3.21Å; S3776-R3780 WeakPolarHBondContact O-CG 3.26Å; S3776-R3780 PolarHBondContact O-N 3.11Å; Q3777-R3780 WeakPolarHBondContact O-CB 3.42Å; Q3777-R3780 PolarHBondContact O-N 3.25Å; Q3777-R3780 VanDerWaalsContact O-N 3.16Å; L3778-R3780 VanDerWaalsContact C-N 3.31Å; L3778-R3780 PolarHBondContact O-N 3.23Å; R3780-S3782 VanDerWaalsContact C-N 3.26Å; R3780-S3782 PolarHBondContact O-N 3.06Å; R3780-L3783 PolarHBondContact O-N 2.96Å; R3780-L3783 VanDerWaalsContact O-N 3.11Å; R3780-L3784 VanDerWaalsContact O-CG 3.28Å; R3780-L3784 WeakPolarHBondContact O-CG 3.38Å; R3780-L3784 PolarHBondContact O-N 3.03Å; R3780-F3800 HydrophobicContact CB-CE1 4.49Å; R3780-F3800 HydrophobicContact CB-CE2 4.18Å; R3780-F3800 HydrophobicContact CB-CZ 4.2Å; R3780-F3800 HydrophobicContact CG-CD2 4.26Å; R3780-F3800 HydrophobicContact CG-CE1 4.03Å; R3780-F3800 HydrophobicContact CG-CE2 3.65Å; R3780-F3800 HydrophobicContact CG-CZ 3.52Å; R3780-F3800 VanDerWaalsContact N-CZ 3.29Å; R3780-H3804 PolarHBondContact NH1-NE2 3.13Å; R3780-H3804 PolarHBondContact NH2-CE1 3.09Å; R3780-H3804 VanDerWaalsContact NH2-CE1 3.25Å; R3780-H3804 PolarHBondContact NH2-NE2 3.03Å; R3780-R3856 PolarHBondContact NH2-O 2.56Å; R3780-D3858 IonicContact CZ-OD1 3.35Å; R3780-D3858 IonicContact CZ-OD2 3.25Å; R3780-D3858 IonicContact NE-OD1 2.85Å; R3780-D3858 IonicContact NE-OD2 2.74Å; R3780-D3858 PolarHBondContact NE-OD2 3.34Å; R3780-D3858 IonicContact NH2-OD1 3.71Å; R3780-D3858 PolarHBondContact NH2-OD1 3.21Å; R3780-D3858 IonicContact NH2-OD2 3.62Å; R3780-D3858 PolarHBondContact NH2-OD2 3.46Å; R3780-N3891 PolarHBondContact NH1-O 3.38Å; R3780-N3891 VanDerWaalsContact NH1-O 3.14Å; R3780-E3894 IonicContact NH1-OE1 3.89Å; R3780-E3894 PolarHBondContact NH1-OE1 2.89Å |
| 3781 | V | 73.2 | Confident | 69 | Low | 2.4 Ų | 2.4 | 29.2 Ų | 29.2 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.7 | -39.6 | 177 | 174 | 0 | 0 | 0 | 0 | 110.4 | I3634 P3635 V3640 I3737 I3741 Q3777 L3778 L3779 L3783 L3784 L3785 T3892 | I3634-V3781 HydrophobicContact CG2-CG2 4.09Å; P3635-V3781 HydrophobicContact CG-CB 4.37Å; P3635-V3781 HydrophobicContact CG-CG1 3.76Å; P3635-V3781 HydrophobicContact CG-CG2 4.13Å; V3640-V3781 HydrophobicContact CG1-CG1 4.31Å; V3640-V3781 HydrophobicContact CG2-CG1 4.02Å; V3640-V3781 HydrophobicContact CG2-CG2 4.35Å; I3737-V3781 HydrophobicContact CG2-CG1 4.3Å; I3741-V3781 HydrophobicContact CD1-CB 4.38Å; I3741-V3781 HydrophobicContact CD1-CG1 3.88Å; Q3777-V3781 VanDerWaalsContact O-CG2 3.31Å; Q3777-V3781 WeakPolarHBondContact O-CG2 3.37Å; Q3777-V3781 PolarHBondContact O-N 2.99Å; L3778-V3781 PolarHBondContact O-N 3.25Å; L3779-V3781 PolarHBondContact O-N 3.48Å; V3781-L3783 PolarHBondContact O-N 2.8Å; V3781-L3784 PolarHBondContact O-N 3.07Å; V3781-L3785 HydrophobicContact CG1-CD1 3.61Å; V3781-L3785 HydrophobicContact CG1-CG 4.23Å; V3781-L3785 WeakPolarHBondContact O-CB 3.3Å; V3781-L3785 VanDerWaalsContact O-CG 3.3Å; V3781-L3785 WeakPolarHBondContact O-CG 3.43Å; V3781-L3785 PolarHBondContact O-N 2.99Å; V3781-L3785 VanDerWaalsContact O-N 3.1Å; V3781-T3892 HydrophobicContact CG2-CG2 4.44Å |
| 3782 | S | 74.7 | Confident | 68.6 | Low | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.9 | -42 | 176.8 | 56.6 | 0 | 0 | 0 | 0 | 113 | L3778 L3779 R3780 L3784 L3785 N3786 Y3788 F3822 | L3778-S3782 WeakPolarHBondContact O-CB 3.4Å; L3778-S3782 PolarHBondContact O-N 3.08Å; L3778-S3782 PolarHBondContact O-OG 3.31Å; L3779-S3782 VanDerWaalsContact CA-OG 3.24Å; L3779-S3782 WeakPolarHBondContact CA-OG 3.2Å; L3779-S3782 WeakPolarHBondContact O-CB 3.3Å; L3779-S3782 PolarHBondContact O-N 2.96Å; L3779-S3782 PolarHBondContact O-OG 3.25Å; L3779-S3782 VanDerWaalsContact O-OG 3.1Å; R3780-S3782 VanDerWaalsContact C-N 3.26Å; R3780-S3782 PolarHBondContact O-N 3.06Å; S3782-L3784 VanDerWaalsContact C-N 3.31Å; S3782-L3784 PolarHBondContact O-N 3.13Å; S3782-L3785 PolarHBondContact O-N 3.13Å; S3782-N3786 PolarHBondContact O-N 3.02Å; S3782-N3786 VanDerWaalsContact O-N 3.15Å; S3782-Y3788 WeakPolarHBondContact O-CE2 3.3Å; S3782-F3822 WeakPolarHBondContact OG-CZ 3.31Å |
| 3783 | L | 71.4 | Confident | 68.3 | Low | 3.2 Ų | 3.2 | 28.8 Ų | 28.8 | 2% | 0.017 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.8 | -31.8 | 174.8 | -77.1 | 173.9 | 0 | 0 | 0 | 113.1 | L3779 R3780 V3781 Y3788 T3793 M3796 L3797 F3800 | L3779-L3783 WeakPolarHBondContact O-CG 3.29Å; L3779-L3783 PolarHBondContact O-N 3.32Å; R3780-L3783 PolarHBondContact O-N 2.96Å; R3780-L3783 VanDerWaalsContact O-N 3.11Å; V3781-L3783 PolarHBondContact O-N 2.8Å; L3783-Y3788 HydrophobicContact CD2-CD2 4.08Å; L3783-Y3788 HydrophobicContact CD2-CE2 4.18Å; L3783-Y3788 HydrophobicContact CD2-CG 4.36Å; L3783-T3793 HydrophobicContact CD2-CG2 4.06Å; L3783-M3796 HydrophobicContact CD1-CB 4.3Å; L3783-M3796 HydrophobicContact CD1-CE 4.06Å; L3783-M3796 HydrophobicContact CD1-CG 4.48Å; L3783-M3796 HydrophobicContact CD1-SD 4.09Å; L3783-M3796 HydrophobicContact CD2-CB 4.31Å; L3783-M3796 HydrophobicContact CD2-CE 3.62Å; L3783-M3796 HydrophobicContact CD2-CG 4.33Å; L3783-M3796 HydrophobicContact CD2-SD 3.77Å; L3783-M3796 WeakPolarHBondContact CD2-SD 3.2Å; L3783-M3796 HydrophobicContact CG-CB 4.46Å; L3783-M3796 HydrophobicContact CG-CE 4.04Å; L3783-M3796 HydrophobicContact CG-SD 3.72Å; L3783-M3796 WeakPolarHBondContact CG-SD 3.46Å; L3783-L3797 HydrophobicContact CD1-CD2 4.34Å; L3783-F3800 HydrophobicContact CD1-CD2 4.28Å; L3783-F3800 HydrophobicContact CD1-CE2 3.56Å; L3783-F3800 HydrophobicContact CD1-CZ 3.97Å; L3783-F3800 HydrophobicContact CG-CE2 4.11Å |
| 3784 | L | 72.1 | Confident | 67.9 | Low | 1.6 Ų | 1.6 | 24.5 Ų | 24.5 | 1% | 0.008 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -75 | -35.1 | 178.1 | -71.6 | 170.9 | 0 | 0 | 0 | 112.7 | V3640 V3644 R3780 V3781 S3782 N3863 V3888 N3891 | V3640-L3784 HydrophobicContact CG1-CB 4.46Å; V3640-L3784 HydrophobicContact CG1-CD1 4.4Å; V3644-L3784 HydrophobicContact CG2-CB 4.31Å; V3644-L3784 WeakPolarHBondContact CG2-O 3.34Å; R3780-L3784 VanDerWaalsContact O-CG 3.28Å; R3780-L3784 WeakPolarHBondContact O-CG 3.38Å; R3780-L3784 PolarHBondContact O-N 3.03Å; V3781-L3784 PolarHBondContact O-N 3.07Å; S3782-L3784 VanDerWaalsContact C-N 3.31Å; S3782-L3784 PolarHBondContact O-N 3.13Å; L3784-N3863 HydrophobicContact CD2-CB 3.93Å; L3784-N3863 VanDerWaalsContact CD2-ND2 3.34Å; L3784-N3863 WeakPolarHBondContact CD2-ND2 3.26Å; L3784-V3888 HydrophobicContact CD1-CB 4.46Å; L3784-V3888 HydrophobicContact CD1-CG1 4.29Å; L3784-V3888 HydrophobicContact CD1-CG2 4.27Å; L3784-V3888 HydrophobicContact CD2-CG2 4.31Å; L3784-N3891 HydrophobicContact CD1-CB 3.95Å |
| 3785 | L | 72.9 | Confident | 67.5 | Low | 4.4 Ų | 4.4 | 25 Ų | 25 | 2% | 0.023 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -91.1 | -23.7 | -171.7 | -69.3 | 178.1 | 0 | 0 | 0 | 114.5 | V3640 L3643 V3644 N3647 L3734 I3737 F3738 V3781 S3782 | V3640-L3785 HydrophobicContact CG1-CD2 3.99Å; V3640-L3785 HydrophobicContact CG1-CG 4.21Å; L3643-L3785 HydrophobicContact CB-CD2 3.54Å; L3643-L3785 VanDerWaalsContact CB-CD2 3.49Å; L3643-L3785 HydrophobicContact CD1-CD1 4.35Å; L3643-L3785 HydrophobicContact CD1-CD2 3.88Å; L3643-L3785 HydrophobicContact CG-CD2 4.35Å; V3644-L3785 HydrophobicContact CG2-CD2 4.26Å; N3647-L3785 PolarHBondContact ND2-O 3.06Å; L3734-L3785 HydrophobicContact CD2-CB 3.95Å; L3734-L3785 HydrophobicContact CD2-CD1 4.36Å; L3734-L3785 HydrophobicContact CD2-CD2 4.08Å; L3734-L3785 HydrophobicContact CD2-CG 4.37Å; I3737-L3785 HydrophobicContact CB-CD1 4.4Å; I3737-L3785 HydrophobicContact CD1-CD1 4.14Å; I3737-L3785 HydrophobicContact CG2-CD1 3.64Å; F3738-L3785 HydrophobicContact CE1-CB 4.3Å; F3738-L3785 HydrophobicContact CE2-CB 4.35Å; F3738-L3785 HydrophobicContact CZ-CB 3.76Å; F3738-L3785 HydrophobicContact CZ-CD1 4.49Å; V3781-L3785 HydrophobicContact CG1-CD1 3.61Å; V3781-L3785 HydrophobicContact CG1-CG 4.23Å; V3781-L3785 WeakPolarHBondContact O-CB 3.3Å; V3781-L3785 VanDerWaalsContact O-CG 3.3Å; V3781-L3785 WeakPolarHBondContact O-CG 3.43Å; V3781-L3785 PolarHBondContact O-N 2.99Å; V3781-L3785 VanDerWaalsContact O-N 3.1Å; S3782-L3785 PolarHBondContact O-N 3.13Å |
| 3786 | N | 68.3 | Low | 67.3 | Low | 44.4 Ų | 44.4 | 25 Ų | 25 | 24% | 0.237 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -125.3 | 148.6 | -176.4 | -138.5 | 0.1 | 0 | 0 | 0 | 113 | F3738 S3782 Y3788 | F3738-N3786 HydrophobicContact CE1-CB 4.48Å; F3738-N3786 HydrophobicContact CE2-CB 4.35Å; F3738-N3786 WeakPolarHBondContact CE2-ND2 3.33Å; F3738-N3786 VanDerWaalsContact CE2-OD1 3.27Å; F3738-N3786 WeakPolarHBondContact CE2-OD1 3.45Å; F3738-N3786 HydrophobicContact CZ-CB 3.76Å; F3738-N3786 VanDerWaalsContact CZ-ND2 3.29Å; F3738-N3786 WeakPolarHBondContact CZ-ND2 3.23Å; F3738-N3786 WeakPolarHBondContact CZ-OD1 3.42Å; S3782-N3786 PolarHBondContact O-N 3.02Å; S3782-N3786 VanDerWaalsContact O-N 3.15Å; N3786-Y3788 HydrophobicContact CB-CD2 4.32Å; N3786-Y3788 HydrophobicContact CB-CE1 4.49Å; N3786-Y3788 HydrophobicContact CB-CE2 3.73Å; N3786-Y3788 VanDerWaalsContact CB-CE2 3.43Å; N3786-Y3788 VanDerWaalsContact O-CD2 3.31Å; N3786-Y3788 WeakPolarHBondContact O-CD2 3.36Å; N3786-Y3788 PolarHBondContact O-N 3.21Å |
| 3787 | R | 62.9 | Low | 67 | Low | 130.6 Ų | 130.6 | 25.1 Ų | 25.1 | 49% | 0.493 | 12% | 0.122 | S | C | . | . | trans | -85.6 | 111.9 | 172.4 | -67.1 | -173 | -179.5 | -170.5 | -0.7 | 109.5 | S3651 H3867 D3869 | S3651-R3787 PolarHBondContact OG-NH2 3.43Å; R3787-H3867 HydrophobicContact CG-CB 4.1Å; R3787-H3867 VanDerWaalsContact CZ-O 3.31Å; R3787-H3867 PolarHBondContact NE-ND1 3.37Å; R3787-H3867 PolarHBondContact NE-O 3.15Å; R3787-H3867 PolarHBondContact NH1-O 2.86Å; R3787-H3867 PolarHBondContact NH2-O 2.94Å; R3787-H3867 VanDerWaalsContact NH2-O 3.11Å; R3787-D3869 IonicContact CZ-OD2 3.45Å; R3787-D3869 IonicContact NH1-OD1 3.57Å; R3787-D3869 IonicContact NH1-OD2 3.04Å; R3787-D3869 PolarHBondContact NH1-OD2 3.41Å; R3787-D3869 IonicContact NH2-OD1 3.45Å | ||
| 3788 | Y | 63 | Low | 66.6 | Low | 19.2 Ų | 19.2 | 24.8 Ų | 24.8 | 8% | 0.075 | 12% | 0.122 | C | C | . | . | trans | -103.1 | 146.8 | 170.4 | -60.8 | -80.2 | 0 | 0 | 0 | 110.3 | S3782 L3783 N3786 V3790 H3792 T3793 M3796 F3822 M3826 Y3831 | S3782-Y3788 WeakPolarHBondContact O-CE2 3.3Å; L3783-Y3788 HydrophobicContact CD2-CD2 4.08Å; L3783-Y3788 HydrophobicContact CD2-CE2 4.18Å; L3783-Y3788 HydrophobicContact CD2-CG 4.36Å; N3786-Y3788 HydrophobicContact CB-CD2 4.32Å; N3786-Y3788 HydrophobicContact CB-CE1 4.49Å; N3786-Y3788 HydrophobicContact CB-CE2 3.73Å; N3786-Y3788 VanDerWaalsContact CB-CE2 3.43Å; N3786-Y3788 VanDerWaalsContact O-CD2 3.31Å; N3786-Y3788 WeakPolarHBondContact O-CD2 3.36Å; N3786-Y3788 PolarHBondContact O-N 3.21Å; Y3788-V3790 PolarHBondContact O-N 3.08Å; Y3788-H3792 AromaticContact CD1-CD2 3.56Å; Y3788-H3792 VanDerWaalsContact CD1-CD2 3.5Å; Y3788-H3792 WeakPolarHBondContact CD1-CD2 3.22Å; Y3788-H3792 AromaticContact CD1-NE2 3.9Å; Y3788-H3792 AromaticContact CG-CD2 3.74Å; Y3788-T3793 PolarHBondContact O-OG1 2.98Å; Y3788-M3796 HydrophobicContact CD1-CE 4.19Å; Y3788-M3796 HydrophobicContact CD2-CE 3.67Å; Y3788-M3796 HydrophobicContact CE1-CE 4.13Å; Y3788-M3796 HydrophobicContact CE2-CE 3.69Å; Y3788-M3796 HydrophobicContact CG-CE 3.79Å; Y3788-F3822 HydrophobicContact CD1-CE2 4.4Å; Y3788-F3822 AromaticContact CE1-CE2 3.8Å; Y3788-F3822 HydrophobicContact CE1-CE2 3.87Å; Y3788-F3822 HydrophobicContact CE1-CZ 4.27Å; Y3788-F3822 AromaticContact CZ-CE2 3.87Å; Y3788-F3822 AromaticContact CZ-CZ 3.81Å; Y3788-F3822 WeakPolarHBondContact OH-CZ 3.24Å; Y3788-M3826 HydrophobicContact CD1-CE 4.02Å; Y3788-M3826 HydrophobicContact CE1-CB 4.43Å; Y3788-M3826 HydrophobicContact CE1-CE 4.39Å; Y3788-Y3831 HydrophobicContact CD1-CD1 4.26Å; Y3788-Y3831 HydrophobicContact CD1-CE1 4.04Å; Y3788-Y3831 HydrophobicContact CE1-CD1 4.06Å; Y3788-Y3831 AromaticContact CE1-CE1 3.51Å; Y3788-Y3831 HydrophobicContact CE1-CE1 3.51Å; Y3788-Y3831 HydrophobicContact CE1-CE2 4.29Å; Y3788-Y3831 AromaticContact CE1-CZ 3.63Å | ||
| 3789 | P | 58.5 | Low | 66.3 | Low | 76 Ų | 76 | 25.7 Ų | 25.7 | 49% | 0.494 | 13% | 0.125 | S | C | . | . | trans | -57.9 | 139.6 | 172.1 | -2.6 | 5.6 | 0 | 0 | 0 | 110.4 | K3791 H3792 T3793 Q3835 | P3789-K3791 PolarHBondContact O-N 3.02Å; P3789-H3792 HydrophobicContact CG-CB 4.07Å; P3789-H3792 WeakPolarHBondContact O-CA 3.23Å; P3789-H3792 WeakPolarHBondContact O-CB 3.41Å; P3789-H3792 PolarHBondContact O-N 3.12Å; P3789-T3793 PolarHBondContact O-N 3.24Å; P3789-T3793 VanDerWaalsContact O-N 3.09Å; P3789-T3793 PolarHBondContact O-OG1 3.06Å; P3789-Q3835 VanDerWaalsContact CG-CD 3.48Å | ||
| 3790 | V | 56.5 | Low | 66 | Low | 16.6 Ų | 16.6 | 25.8 Ų | 25.8 | 10% | 0.101 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -43.3 | -43.8 | -176 | -175.2 | 0 | 0 | 0 | 0 | 113.5 | Y3788 H3792 T3793 I3794 E3868 N3946 L3950 | Y3788-V3790 PolarHBondContact O-N 3.08Å; V3790-H3792 VanDerWaalsContact C-N 3.29Å; V3790-H3792 PolarHBondContact O-N 3.12Å; V3790-T3793 WeakPolarHBondContact O-CB 3.3Å; V3790-T3793 PolarHBondContact O-N 3.11Å; V3790-T3793 VanDerWaalsContact O-N 3.15Å; V3790-I3794 HydrophobicContact CG1-CD1 3.89Å; V3790-I3794 HydrophobicContact CG1-CG1 4.17Å; V3790-I3794 VanDerWaalsContact O-CG1 3.28Å; V3790-I3794 WeakPolarHBondContact O-CG1 3.32Å; V3790-I3794 PolarHBondContact O-N 3.14Å; V3790-E3868 WeakPolarHBondContact CG1-OE1 3.34Å; V3790-E3868 HydrophobicContact CG2-CG 4.3Å; V3790-E3868 VanDerWaalsContact CG2-OE1 3.25Å; V3790-E3868 WeakPolarHBondContact CG2-OE1 3.36Å; V3790-E3868 WeakPolarHBondContact CG2-OE2 3.31Å; V3790-E3868 PolarHBondContact N-OE1 3.45Å; V3790-N3946 HydrophobicContact CG1-CB 4.35Å; V3790-N3946 HydrophobicContact CG2-CB 4.39Å; V3790-L3950 HydrophobicContact CB-CD1 4.37Å; V3790-L3950 HydrophobicContact CG1-CD1 3.69Å; V3790-L3950 HydrophobicContact CG1-CD2 3.68Å; V3790-L3950 HydrophobicContact CG1-CG 4.14Å; V3790-L3950 HydrophobicContact CG2-CD1 4.38Å |
| 3791 | K | 57.2 | Low | 65.4 | Low | 94.8 Ų | 94.8 | 26.3 Ų | 26.3 | 41% | 0.412 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -57.1 | -44 | 178.4 | -114.7 | -173.5 | 175.5 | -175.2 | 0 | 112.2 | P3789 I3794 T3795 Y3838 E3840 V3843 N3946 | P3789-K3791 PolarHBondContact O-N 3.02Å; K3791-I3794 PolarHBondContact O-N 3.22Å; K3791-T3795 PolarHBondContact O-N 3.07Å; K3791-T3795 VanDerWaalsContact O-N 3.1Å; K3791-T3795 PolarHBondContact O-OG1 3.17Å; K3791-Y3838 PolarHBondContact NZ-O 3.39Å; K3791-E3840 WeakPolarHBondContact CE-O 3.22Å; K3791-E3840 PolarHBondContact NZ-O 2.97Å; K3791-V3843 HydrophobicContact CG-CG2 4.28Å; K3791-N3946 WeakPolarHBondContact CE-OD1 3.43Å; K3791-N3946 VanDerWaalsContact CG-OD1 3.26Å; K3791-N3946 WeakPolarHBondContact CG-OD1 3.42Å |
| 3792 | H | 63.2 | Low | 65 | Low | 23.6 Ų | 23.6 | 30.5 Ų | 30.5 | 11% | 0.109 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.9 | -38.3 | 179.6 | -162 | 70.3 | 0 | 0 | 0 | 111.3 | Y3788 P3789 V3790 I3794 T3795 M3796 Y3818 F3822 M3826 | Y3788-H3792 AromaticContact CD1-CD2 3.56Å; Y3788-H3792 VanDerWaalsContact CD1-CD2 3.5Å; Y3788-H3792 WeakPolarHBondContact CD1-CD2 3.22Å; Y3788-H3792 AromaticContact CD1-NE2 3.9Å; Y3788-H3792 AromaticContact CG-CD2 3.74Å; P3789-H3792 HydrophobicContact CG-CB 4.07Å; P3789-H3792 WeakPolarHBondContact O-CA 3.23Å; P3789-H3792 WeakPolarHBondContact O-CB 3.41Å; P3789-H3792 PolarHBondContact O-N 3.12Å; V3790-H3792 VanDerWaalsContact C-N 3.29Å; V3790-H3792 PolarHBondContact O-N 3.12Å; H3792-I3794 PolarHBondContact O-N 3.12Å; H3792-T3795 WeakPolarHBondContact CA-OG1 3.11Å; H3792-T3795 WeakPolarHBondContact O-CB 3.03Å; H3792-T3795 PolarHBondContact O-N 3.01Å; H3792-T3795 VanDerWaalsContact O-N 3.15Å; H3792-T3795 PolarHBondContact O-OG1 3.39Å; H3792-M3796 WeakPolarHBondContact O-CB 3.38Å; H3792-M3796 WeakPolarHBondContact O-CG 3.36Å; H3792-M3796 PolarHBondContact O-N 3.27Å; H3792-Y3818 PolarHBondContact CD2-OH 3.17Å; H3792-Y3818 AromaticContact CE1-CE2 3.77Å; H3792-Y3818 AromaticContact CE1-CZ 3.67Å; H3792-Y3818 PolarHBondContact CE1-OH 3.24Å; H3792-Y3818 PolarHBondContact ND1-OH 3.31Å; H3792-Y3818 PolarHBondContact NE2-OH 3.28Å; H3792-Y3818 PolarHBondContact O-OH 3.04Å; H3792-F3822 AromaticContact CE1-CD2 3.97Å; H3792-F3822 AromaticContact NE2-CD2 3.55Å; H3792-F3822 WeakPolarHBondContact NE2-CD2 3.22Å; H3792-F3822 AromaticContact NE2-CE2 3.65Å; H3792-M3826 HydrophobicContact CB-CE 4.47Å; H3792-M3826 WeakPolarHBondContact CD2-CE 3.41Å; H3792-M3826 VanDerWaalsContact NE2-CE 3.27Å; H3792-M3826 WeakPolarHBondContact NE2-CE 3.47Å |
| 3793 | T | 62.9 | Low | 64.4 | Low | 10.6 Ų | 10.6 | 30.9 Ų | 30.9 | 7% | 0.065 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.1 | -47.3 | 173.6 | -48.8 | 0 | 0 | 0 | 0 | 111.5 | L3783 Y3788 P3789 V3790 T3795 M3796 L3797 C3864 | L3783-T3793 HydrophobicContact CD2-CG2 4.06Å; Y3788-T3793 PolarHBondContact O-OG1 2.98Å; P3789-T3793 PolarHBondContact O-N 3.24Å; P3789-T3793 VanDerWaalsContact O-N 3.09Å; P3789-T3793 PolarHBondContact O-OG1 3.06Å; V3790-T3793 WeakPolarHBondContact O-CB 3.3Å; V3790-T3793 PolarHBondContact O-N 3.11Å; V3790-T3793 VanDerWaalsContact O-N 3.15Å; T3793-T3795 VanDerWaalsContact C-N 3.33Å; T3793-T3795 PolarHBondContact O-N 3.34Å; T3793-M3796 WeakPolarHBondContact O-CB 3.46Å; T3793-M3796 PolarHBondContact O-N 3.18Å; T3793-L3797 HydrophobicContact CG2-CD1 4.13Å; T3793-L3797 WeakPolarHBondContact O-CB 3.35Å; T3793-L3797 VanDerWaalsContact O-CD1 3.28Å; T3793-L3797 WeakPolarHBondContact O-CD1 3.25Å; T3793-L3797 VanDerWaalsContact O-CG 3.25Å; T3793-L3797 WeakPolarHBondContact O-CG 3.38Å; T3793-L3797 PolarHBondContact O-N 3.17Å; T3793-C3864 HydrophobicContact CG2-CB 4.13Å; T3793-C3864 VanDerWaalsContact CG2-SG 3.53Å; T3793-C3864 WeakPolarHBondContact CG2-SG 3.45Å |
| 3794 | I | 60.1 | Low | 63.8 | Low | 17.4 Ų | 17.4 | 32 Ų | 32 | 9% | 0.089 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 175.8 | -63.6 | 167.5 | 0 | 0 | 0 | 110.8 | V3790 K3791 H3792 M3796 L3797 N3798 V3843 I3845 L3848 K3949 L3950 L3953 | V3790-I3794 HydrophobicContact CG1-CD1 3.89Å; V3790-I3794 HydrophobicContact CG1-CG1 4.17Å; V3790-I3794 VanDerWaalsContact O-CG1 3.28Å; V3790-I3794 WeakPolarHBondContact O-CG1 3.32Å; V3790-I3794 PolarHBondContact O-N 3.14Å; K3791-I3794 PolarHBondContact O-N 3.22Å; H3792-I3794 PolarHBondContact O-N 3.12Å; I3794-M3796 VanDerWaalsContact C-N 3.33Å; I3794-M3796 PolarHBondContact O-N 3.29Å; I3794-L3797 PolarHBondContact O-N 3.31Å; I3794-L3797 VanDerWaalsContact O-N 3.15Å; I3794-N3798 VanDerWaalsContact O-CG 3.3Å; I3794-N3798 PolarHBondContact O-N 3.1Å; I3794-N3798 PolarHBondContact O-OD1 3.12Å; I3794-V3843 HydrophobicContact CG2-CG1 3.91Å; I3794-I3845 HydrophobicContact CG2-CG1 4.48Å; I3794-L3848 HydrophobicContact CG2-CD1 3.53Å; I3794-K3949 HydrophobicContact CD1-CB 4.16Å; I3794-L3950 HydrophobicContact CD1-CD2 4.07Å; I3794-L3950 HydrophobicContact CD1-CG 4.12Å; I3794-L3950 HydrophobicContact CG1-CD2 4.26Å; I3794-L3953 HydrophobicContact CD1-CD1 3.96Å; I3794-L3953 HydrophobicContact CG1-CD1 3.77Å |
| 3795 | T | 63.7 | Low | 63.2 | Low | 31.8 Ų | 31.8 | 34.7 Ų | 34.7 | 20% | 0.195 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.6 | -42.3 | 178 | -34.6 | 0 | 0 | 0 | 0 | 111.7 | K3791 H3792 T3793 L3797 N3798 H3799 Y3818 V3843 | K3791-T3795 PolarHBondContact O-N 3.07Å; K3791-T3795 VanDerWaalsContact O-N 3.1Å; K3791-T3795 PolarHBondContact O-OG1 3.17Å; H3792-T3795 WeakPolarHBondContact CA-OG1 3.11Å; H3792-T3795 WeakPolarHBondContact O-CB 3.03Å; H3792-T3795 PolarHBondContact O-N 3.01Å; H3792-T3795 VanDerWaalsContact O-N 3.15Å; H3792-T3795 PolarHBondContact O-OG1 3.39Å; T3793-T3795 VanDerWaalsContact C-N 3.33Å; T3793-T3795 PolarHBondContact O-N 3.34Å; T3795-L3797 VanDerWaalsContact C-N 3.31Å; T3795-L3797 PolarHBondContact O-N 3.15Å; T3795-N3798 WeakPolarHBondContact O-CB 3.32Å; T3795-N3798 PolarHBondContact O-N 3.21Å; T3795-H3799 PolarHBondContact O-CD2 3.09Å; T3795-H3799 PolarHBondContact O-N 3.04Å; T3795-H3799 VanDerWaalsContact O-N 3.11Å; T3795-Y3818 HydrophobicContact CG2-CD2 4.03Å; T3795-Y3818 HydrophobicContact CG2-CE2 3.7Å; T3795-Y3818 PolarHBondContact OG1-OH 3.24Å; T3795-V3843 HydrophobicContact CG2-CG2 4.27Å |
| 3796 | M | 67.3 | Low | 62.2 | Low | 0.2 Ų | 0.2 | 41.4 Ų | 41.4 | 0% | 0.001 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60 | -44.6 | 173.4 | -111.6 | -150.7 | -78 | 0 | 0 | 111.5 | L3779 L3783 Y3788 H3792 T3793 I3794 N3798 H3799 F3800 Y3818 F3822 | L3779-M3796 HydrophobicContact CB-CE 4.21Å; L3779-M3796 HydrophobicContact CB-SD 4.48Å; L3779-M3796 HydrophobicContact CD2-CE 3.8Å; L3779-M3796 HydrophobicContact CD2-CG 4.24Å; L3779-M3796 HydrophobicContact CD2-SD 4.15Å; L3783-M3796 HydrophobicContact CD1-CB 4.3Å; L3783-M3796 HydrophobicContact CD1-CE 4.06Å; L3783-M3796 HydrophobicContact CD1-CG 4.48Å; L3783-M3796 HydrophobicContact CD1-SD 4.09Å; L3783-M3796 HydrophobicContact CD2-CB 4.31Å; L3783-M3796 HydrophobicContact CD2-CE 3.62Å; L3783-M3796 HydrophobicContact CD2-CG 4.33Å; L3783-M3796 HydrophobicContact CD2-SD 3.77Å; L3783-M3796 WeakPolarHBondContact CD2-SD 3.2Å; L3783-M3796 HydrophobicContact CG-CB 4.46Å; L3783-M3796 HydrophobicContact CG-CE 4.04Å; L3783-M3796 HydrophobicContact CG-SD 3.72Å; L3783-M3796 WeakPolarHBondContact CG-SD 3.46Å; Y3788-M3796 HydrophobicContact CD1-CE 4.19Å; Y3788-M3796 HydrophobicContact CD2-CE 3.67Å; Y3788-M3796 HydrophobicContact CE1-CE 4.13Å; Y3788-M3796 HydrophobicContact CE2-CE 3.69Å; Y3788-M3796 HydrophobicContact CG-CE 3.79Å; H3792-M3796 WeakPolarHBondContact O-CB 3.38Å; H3792-M3796 WeakPolarHBondContact O-CG 3.36Å; H3792-M3796 PolarHBondContact O-N 3.27Å; T3793-M3796 WeakPolarHBondContact O-CB 3.46Å; T3793-M3796 PolarHBondContact O-N 3.18Å; I3794-M3796 VanDerWaalsContact C-N 3.33Å; I3794-M3796 PolarHBondContact O-N 3.29Å; M3796-N3798 VanDerWaalsContact C-N 3.31Å; M3796-N3798 PolarHBondContact O-N 3.16Å; M3796-H3799 CarbonylContact O-C 3.55Å; M3796-H3799 WeakPolarHBondContact O-CA 3.48Å; M3796-H3799 WeakPolarHBondContact O-CB 3.32Å; M3796-H3799 PolarHBondContact O-N 2.96Å; M3796-H3799 VanDerWaalsContact O-N 3.14Å; M3796-F3800 HydrophobicContact CB-CD2 4.23Å; M3796-F3800 HydrophobicContact CB-CE2 4.22Å; M3796-F3800 HydrophobicContact CE-CE2 4.46Å; M3796-F3800 VanDerWaalsContact O-CB 3.32Å; M3796-F3800 WeakPolarHBondContact O-CB 3.19Å; M3796-F3800 VanDerWaalsContact O-CD2 3.3Å; M3796-F3800 WeakPolarHBondContact O-CD2 3.39Å; M3796-F3800 PolarHBondContact O-N 3.2Å; M3796-Y3818 HydrophobicContact CB-CE1 4.4Å; M3796-Y3818 WeakPolarHBondContact CB-OH 3.4Å; M3796-Y3818 HydrophobicContact CG-CE1 4.03Å; M3796-Y3818 WeakPolarHBondContact CG-OH 3.43Å; M3796-Y3818 PolarHBondContact N-OH 2.79Å; M3796-Y3818 HydrophobicContact SD-CE1 3.78Å; M3796-F3822 HydrophobicContact CE-CD2 4.14Å; M3796-F3822 HydrophobicContact CE-CE1 4.03Å; M3796-F3822 HydrophobicContact CE-CE2 3.65Å; M3796-F3822 HydrophobicContact CE-CZ 3.76Å; M3796-F3822 HydrophobicContact CG-CE2 4.48Å; M3796-F3822 HydrophobicContact SD-CD2 3.81Å; M3796-F3822 HydrophobicContact SD-CE2 3.99Å; M3796-F3822 HydrophobicContact SD-CG 4.2Å; M3796-F3822 HydrophobicContact SD-CZ 4.21Å |
| 3797 | L | 65.8 | Low | 61.3 | Low | 8 Ų | 8 | 43.9 Ų | 43.9 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.3 | -36.7 | 179 | -71.4 | 163.8 | 0 | 0 | 0 | 112.6 | L3783 T3793 I3794 T3795 H3799 F3800 H3801 L3848 L3857 D3858 L3861 L3953 | L3783-L3797 HydrophobicContact CD1-CD2 4.34Å; T3793-L3797 HydrophobicContact CG2-CD1 4.13Å; T3793-L3797 WeakPolarHBondContact O-CB 3.35Å; T3793-L3797 VanDerWaalsContact O-CD1 3.28Å; T3793-L3797 WeakPolarHBondContact O-CD1 3.25Å; T3793-L3797 VanDerWaalsContact O-CG 3.25Å; T3793-L3797 WeakPolarHBondContact O-CG 3.38Å; T3793-L3797 PolarHBondContact O-N 3.17Å; I3794-L3797 PolarHBondContact O-N 3.31Å; I3794-L3797 VanDerWaalsContact O-N 3.15Å; T3795-L3797 VanDerWaalsContact C-N 3.31Å; T3795-L3797 PolarHBondContact O-N 3.15Å; L3797-H3799 VanDerWaalsContact C-N 3.33Å; L3797-H3799 PolarHBondContact O-N 2.95Å; L3797-F3800 HydrophobicContact CD2-CD2 4.47Å; L3797-F3800 VanDerWaalsContact O-CB 3.26Å; L3797-F3800 WeakPolarHBondContact O-CB 3.37Å; L3797-F3800 PolarHBondContact O-N 3.13Å; L3797-F3800 VanDerWaalsContact O-N 3.16Å; L3797-H3801 WeakPolarHBondContact O-CB 3.49Å; L3797-H3801 PolarHBondContact O-N 3.32Å; L3797-L3848 HydrophobicContact CB-CD1 3.92Å; L3797-L3857 HydrophobicContact CD2-CD2 3.97Å; L3797-D3858 HydrophobicContact CD2-CB 4.21Å; L3797-L3861 HydrophobicContact CD1-CB 4.47Å; L3797-L3861 HydrophobicContact CD1-CD1 4.05Å; L3797-L3861 HydrophobicContact CD1-CD2 3.7Å; L3797-L3861 VanDerWaalsContact CD1-CD2 3.44Å; L3797-L3861 HydrophobicContact CD1-CG 3.83Å; L3797-L3861 VanDerWaalsContact CD1-CG 3.47Å; L3797-L3861 HydrophobicContact CD2-CD1 4.07Å; L3797-L3861 HydrophobicContact CD2-CD2 4.12Å; L3797-L3861 HydrophobicContact CD2-CG 4.22Å; L3797-L3861 HydrophobicContact CG-CD2 4.42Å; L3797-L3953 HydrophobicContact CD1-CD2 4.11Å |
| 3798 | N | 64.6 | Low | 61 | Low | 21.8 Ų | 21.8 | 39.8 Ų | 39.8 | 12% | 0.117 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.3 | -44.6 | 171.3 | -72.2 | -4.2 | 0 | 0 | 0 | 111.5 | I3794 T3795 M3796 F3800 H3801 Y3802 V3843 D3844 L3848 | I3794-N3798 VanDerWaalsContact O-CG 3.3Å; I3794-N3798 PolarHBondContact O-N 3.1Å; I3794-N3798 PolarHBondContact O-OD1 3.12Å; T3795-N3798 WeakPolarHBondContact O-CB 3.32Å; T3795-N3798 PolarHBondContact O-N 3.21Å; M3796-N3798 VanDerWaalsContact C-N 3.31Å; M3796-N3798 PolarHBondContact O-N 3.16Å; N3798-F3800 VanDerWaalsContact C-N 3.31Å; N3798-F3800 PolarHBondContact O-N 2.85Å; N3798-H3801 WeakPolarHBondContact O-CB 3.32Å; N3798-H3801 PolarHBondContact O-N 3.21Å; N3798-Y3802 VanDerWaalsContact O-CD2 3.27Å; N3798-Y3802 WeakPolarHBondContact O-CD2 3.36Å; N3798-Y3802 PolarHBondContact O-N 2.86Å; N3798-V3843 WeakPolarHBondContact ND2-CG1 3.38Å; N3798-D3844 PolarHBondContact ND2-O 3.22Å; N3798-L3848 HydrophobicContact CB-CD1 3.79Å; N3798-L3848 WeakPolarHBondContact OD1-CD1 3.31Å; N3798-L3848 WeakPolarHBondContact OD1-CD2 3.5Å; N3798-L3848 VanDerWaalsContact OD1-CG 3.27Å; N3798-L3848 WeakPolarHBondContact OD1-CG 3.32Å |
| 3799 | H | 68.1 | Low | 60.9 | Low | 20.4 Ų | 20.4 | 42.9 Ų | 42.9 | 9% | 0.094 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69 | -31.6 | 176.6 | -68.9 | -52.4 | 0 | 0 | 0 | 113 | T3795 M3796 L3797 H3801 Y3802 L3803 T3815 Y3818 F3819 | T3795-H3799 PolarHBondContact O-CD2 3.09Å; T3795-H3799 PolarHBondContact O-N 3.04Å; T3795-H3799 VanDerWaalsContact O-N 3.11Å; M3796-H3799 CarbonylContact O-C 3.55Å; M3796-H3799 WeakPolarHBondContact O-CA 3.48Å; M3796-H3799 WeakPolarHBondContact O-CB 3.32Å; M3796-H3799 PolarHBondContact O-N 2.96Å; M3796-H3799 VanDerWaalsContact O-N 3.14Å; L3797-H3799 VanDerWaalsContact C-N 3.33Å; L3797-H3799 PolarHBondContact O-N 2.95Å; H3799-H3801 VanDerWaalsContact C-N 3.31Å; H3799-H3801 PolarHBondContact O-N 3.22Å; H3799-Y3802 PolarHBondContact O-N 3.08Å; H3799-L3803 PolarHBondContact O-N 3.31Å; H3799-T3815 HydrophobicContact CB-CG2 3.86Å; H3799-T3815 WeakPolarHBondContact ND1-CA 3.37Å; H3799-T3815 WeakPolarHBondContact ND1-CB 3.43Å; H3799-T3815 WeakPolarHBondContact ND1-CG2 3.44Å; H3799-T3815 PolarHBondContact ND1-OG1 3.29Å; H3799-Y3818 HydrophobicContact CB-CD1 4.34Å; H3799-Y3818 AromaticContact CD2-CD1 3.27Å; H3799-Y3818 WeakPolarHBondContact CD2-CD1 3.35Å; H3799-Y3818 AromaticContact CD2-CD2 3.84Å; H3799-Y3818 AromaticContact CD2-CE1 3.73Å; H3799-Y3818 AromaticContact CD2-CG 3.33Å; H3799-Y3818 VanDerWaalsContact CD2-CG 3.41Å; H3799-Y3818 AromaticContact CG-CD1 3.85Å; H3799-Y3818 WeakPolarHBondContact NE2-CB 3.4Å; H3799-Y3818 AromaticContact NE2-CD1 3.91Å; H3799-Y3818 AromaticContact NE2-CD2 3.77Å; H3799-Y3818 AromaticContact NE2-CG 3.44Å; H3799-F3819 HydrophobicContact CB-CE1 4.1Å; H3799-F3819 HydrophobicContact CB-CZ 4.12Å |
| 3800 | F | 66.9 | Low | 61.3 | Low | 3.8 Ų | 3.8 | 41 Ų | 41 | 2% | 0.017 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.3 | -37.5 | 172.4 | -132.5 | -85.4 | 0 | 0 | 0 | 113 | S3776 L3779 R3780 L3783 M3796 L3797 N3798 Y3802 L3803 H3804 L3857 | S3776-F3800 VanDerWaalsContact C-CZ 3.45Å; S3776-F3800 VanDerWaalsContact O-CE1 3.22Å; S3776-F3800 WeakPolarHBondContact O-CE1 3.26Å; S3776-F3800 VanDerWaalsContact O-CE2 3.32Å; S3776-F3800 WeakPolarHBondContact O-CE2 3.23Å; S3776-F3800 VanDerWaalsContact O-CZ 3.27Å; S3776-F3800 WeakPolarHBondContact O-CZ 3.29Å; S3776-F3800 VanDerWaalsContact OG-CE1 3.23Å; S3776-F3800 WeakPolarHBondContact OG-CE1 3.44Å; S3776-F3800 VanDerWaalsContact OG-CE2 3.28Å; S3776-F3800 WeakPolarHBondContact OG-CE2 3.43Å; S3776-F3800 VanDerWaalsContact OG-CZ 3.24Å; S3776-F3800 WeakPolarHBondContact OG-CZ 3.4Å; L3779-F3800 HydrophobicContact CB-CD1 4.36Å; L3779-F3800 HydrophobicContact CB-CD2 3.98Å; L3779-F3800 HydrophobicContact CB-CE1 3.78Å; L3779-F3800 VanDerWaalsContact CB-CE1 3.41Å; L3779-F3800 HydrophobicContact CB-CE2 3.62Å; L3779-F3800 HydrophobicContact CB-CZ 3.58Å; L3779-F3800 HydrophobicContact CD1-CD1 4.29Å; L3779-F3800 HydrophobicContact CD1-CD2 4.3Å; L3779-F3800 HydrophobicContact CD1-CE1 4.07Å; L3779-F3800 HydrophobicContact CD1-CE2 4.42Å; L3779-F3800 HydrophobicContact CD1-CZ 4.27Å; L3779-F3800 HydrophobicContact CG-CE1 4.42Å; L3779-F3800 HydrophobicContact CG-CZ 4.35Å; R3780-F3800 HydrophobicContact CB-CE1 4.49Å; R3780-F3800 HydrophobicContact CB-CE2 4.18Å; R3780-F3800 HydrophobicContact CB-CZ 4.2Å; R3780-F3800 HydrophobicContact CG-CD2 4.26Å; R3780-F3800 HydrophobicContact CG-CE1 4.03Å; R3780-F3800 HydrophobicContact CG-CE2 3.65Å; R3780-F3800 HydrophobicContact CG-CZ 3.52Å; R3780-F3800 VanDerWaalsContact N-CZ 3.29Å; L3783-F3800 HydrophobicContact CD1-CD2 4.28Å; L3783-F3800 HydrophobicContact CD1-CE2 3.56Å; L3783-F3800 HydrophobicContact CD1-CZ 3.97Å; L3783-F3800 HydrophobicContact CG-CE2 4.11Å; M3796-F3800 HydrophobicContact CB-CD2 4.23Å; M3796-F3800 HydrophobicContact CB-CE2 4.22Å; M3796-F3800 HydrophobicContact CE-CE2 4.46Å; M3796-F3800 VanDerWaalsContact O-CB 3.32Å; M3796-F3800 WeakPolarHBondContact O-CB 3.19Å; M3796-F3800 VanDerWaalsContact O-CD2 3.3Å; M3796-F3800 WeakPolarHBondContact O-CD2 3.39Å; M3796-F3800 PolarHBondContact O-N 3.2Å; L3797-F3800 HydrophobicContact CD2-CD2 4.47Å; L3797-F3800 VanDerWaalsContact O-CB 3.26Å; L3797-F3800 WeakPolarHBondContact O-CB 3.37Å; L3797-F3800 PolarHBondContact O-N 3.13Å; L3797-F3800 VanDerWaalsContact O-N 3.16Å; N3798-F3800 VanDerWaalsContact C-N 3.31Å; N3798-F3800 PolarHBondContact O-N 2.85Å; F3800-Y3802 VanDerWaalsContact C-N 3.34Å; F3800-Y3802 PolarHBondContact O-N 3.13Å; F3800-L3803 HydrophobicContact CD1-CD1 4.36Å; F3800-L3803 HydrophobicContact CD2-CD1 4.46Å; F3800-L3803 CarbonylContact O-C 3.55Å; F3800-L3803 WeakPolarHBondContact O-CA 3.36Å; F3800-L3803 WeakPolarHBondContact O-CB 3.37Å; F3800-L3803 PolarHBondContact O-N 3.01Å; F3800-H3804 AromaticContact CD1-CD2 3.73Å; F3800-H3804 VanDerWaalsContact CD1-CD2 3.5Å; F3800-H3804 WeakPolarHBondContact CD1-CD2 3.39Å; F3800-H3804 AromaticContact CD1-NE2 3.93Å; F3800-H3804 AromaticContact CE1-CD2 3.3Å; F3800-H3804 WeakPolarHBondContact CE1-CD2 3.46Å; F3800-H3804 AromaticContact CE1-NE2 3.42Å; F3800-H3804 WeakPolarHBondContact CE1-NE2 3.38Å; F3800-H3804 AromaticContact CZ-CD2 3.55Å; F3800-H3804 WeakPolarHBondContact CZ-CD2 3.13Å; F3800-H3804 AromaticContact CZ-NE2 3.35Å; F3800-H3804 VanDerWaalsContact CZ-NE2 3.29Å; F3800-H3804 WeakPolarHBondContact CZ-NE2 3.49Å; F3800-H3804 PolarHBondContact O-N 3.05Å; F3800-L3857 HydrophobicContact CD1-CD2 3.85Å; F3800-L3857 HydrophobicContact CD1-CG 4.39Å; F3800-L3857 HydrophobicContact CE1-CD2 4.27Å; F3800-L3857 HydrophobicContact CE1-CG 4.42Å |
| 3801 | H | 61.1 | Low | 61.9 | Low | 21.5 Ų | 21.5 | 40.2 Ų | 40.2 | 10% | 0.1 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.4 | -43.9 | 176.1 | -177.5 | 64.4 | 0 | 0 | 0 | 111.8 | L3797 N3798 H3799 L3803 H3804 D3805 S3851 F3852 | L3797-H3801 WeakPolarHBondContact O-CB 3.49Å; L3797-H3801 PolarHBondContact O-N 3.32Å; N3798-H3801 WeakPolarHBondContact O-CB 3.32Å; N3798-H3801 PolarHBondContact O-N 3.21Å; H3799-H3801 VanDerWaalsContact C-N 3.31Å; H3799-H3801 PolarHBondContact O-N 3.22Å; H3801-L3803 PolarHBondContact O-N 3.2Å; H3801-L3803 VanDerWaalsContact O-N 3.09Å; H3801-H3804 PolarHBondContact O-N 3.09Å; H3801-H3804 VanDerWaalsContact O-N 3.12Å; H3801-D3805 PolarHBondContact O-N 2.92Å; H3801-S3851 PolarHBondContact CD2-OG 3.03Å; H3801-S3851 VanDerWaalsContact CD2-OG 3.29Å; H3801-S3851 VanDerWaalsContact CE1-C 3.45Å; H3801-S3851 WeakPolarHBondContact CE1-CB 2.87Å; H3801-S3851 PolarHBondContact CE1-O 3.41Å; H3801-S3851 PolarHBondContact CE1-OG 3.26Å; H3801-S3851 VanDerWaalsContact CE1-OG 3.27Å; H3801-S3851 WeakPolarHBondContact ND1-CB 3.41Å; H3801-S3851 PolarHBondContact ND1-OG 2.87Å; H3801-S3851 VanDerWaalsContact ND1-OG 3.17Å; H3801-S3851 WeakPolarHBondContact NE2-CB 3.35Å; H3801-S3851 PolarHBondContact NE2-O 2.88Å; H3801-S3851 PolarHBondContact NE2-OG 3.07Å; H3801-F3852 HydrophobicContact CB-CE2 4.32Å; H3801-F3852 AromaticContact CE1-CD1 3.44Å; H3801-F3852 VanDerWaalsContact CE1-CD1 3.44Å; H3801-F3852 WeakPolarHBondContact CE1-CD1 3.42Å; H3801-F3852 AromaticContact CE1-CE1 3.56Å; H3801-F3852 AromaticContact ND1-CD1 3.73Å; H3801-F3852 AromaticContact ND1-CE1 3.6Å |
| 3802 | Y | 62.9 | Low | 62.5 | Low | 91.25 Ų | 91.25 | 36.8 Ų | 36.8 | 36% | 0.358 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.1 | -14.7 | 172.1 | -65.7 | -70.3 | 0 | 0 | 0 | 113.9 | R3772 N3798 H3799 F3800 L3811 P3812 | R3772-Y3802 PolarHBondContact NE-O 3.31Å; R3772-Y3802 PolarHBondContact NH2-O 3.01Å; N3798-Y3802 VanDerWaalsContact O-CD2 3.27Å; N3798-Y3802 WeakPolarHBondContact O-CD2 3.36Å; N3798-Y3802 PolarHBondContact O-N 2.86Å; H3799-Y3802 PolarHBondContact O-N 3.08Å; F3800-Y3802 VanDerWaalsContact C-N 3.34Å; F3800-Y3802 PolarHBondContact O-N 3.13Å; Y3802-L3811 WeakPolarHBondContact O-CD1 3.29Å; Y3802-P3812 HydrophobicContact CD1-CG 3.87Å; Y3802-P3812 HydrophobicContact CD2-CG 4.38Å; Y3802-P3812 HydrophobicContact CE1-CG 4.04Å; Y3802-P3812 HydrophobicContact CE2-CG 4.45Å; Y3802-P3812 HydrophobicContact CG-CG 4.11Å |
| 3803 | L | 63.7 | Low | 62.7 | Low | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -91.7 | -19.7 | 173.1 | -67 | 169.3 | 0 | 0 | 0 | 113.3 | R3772 L3775 L3779 H3799 F3800 H3801 L3811 F3819 | R3772-L3803 VanDerWaalsContact CD-O 3.3Å; R3772-L3803 WeakPolarHBondContact CD-O 3.35Å; R3772-L3803 HydrophobicContact CG-CB 4.36Å; R3772-L3803 HydrophobicContact CG-CD2 3.75Å; R3772-L3803 WeakPolarHBondContact CG-O 3.38Å; R3772-L3803 VanDerWaalsContact CZ-O 3.3Å; R3772-L3803 VanDerWaalsContact NE-C 3.33Å; R3772-L3803 PolarHBondContact NE-O 3.36Å; R3772-L3803 PolarHBondContact NH2-O 2.89Å; L3775-L3803 HydrophobicContact CB-CD1 4.09Å; L3775-L3803 HydrophobicContact CB-CD2 4.13Å; L3775-L3803 HydrophobicContact CD1-CD2 4.01Å; L3775-L3803 HydrophobicContact CD2-CD1 3.78Å; L3775-L3803 HydrophobicContact CD2-CD2 3.82Å; L3775-L3803 HydrophobicContact CD2-CG 4.19Å; L3779-L3803 HydrophobicContact CD1-CD1 3.61Å; L3779-L3803 VanDerWaalsContact CD1-CD1 3.46Å; H3799-L3803 PolarHBondContact O-N 3.31Å; F3800-L3803 HydrophobicContact CD1-CD1 4.36Å; F3800-L3803 HydrophobicContact CD2-CD1 4.46Å; F3800-L3803 CarbonylContact O-C 3.55Å; F3800-L3803 WeakPolarHBondContact O-CA 3.36Å; F3800-L3803 WeakPolarHBondContact O-CB 3.37Å; F3800-L3803 PolarHBondContact O-N 3.01Å; H3801-L3803 PolarHBondContact O-N 3.2Å; H3801-L3803 VanDerWaalsContact O-N 3.09Å; L3803-L3811 HydrophobicContact CD2-CD1 3.93Å; L3803-L3811 HydrophobicContact CD2-CD2 3.8Å; L3803-L3811 HydrophobicContact CD2-CG 4.37Å; L3803-L3811 HydrophobicContact CG-CD2 4.35Å; L3803-F3819 HydrophobicContact CD1-CE2 4.2Å; L3803-F3819 HydrophobicContact CD1-CZ 3.73Å; L3803-F3819 HydrophobicContact CD2-CE2 4.45Å; L3803-F3819 HydrophobicContact CG-CE2 4.37Å; L3803-F3819 HydrophobicContact CG-CZ 4.34Å |
| 3804 | H | 59.2 | Low | 62.8 | Low | 27 Ų | 27 | 44.3 Ų | 44.3 | 13% | 0.125 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -91.8 | -26.4 | -176.5 | -104.4 | -70.9 | 0 | 0 | 0 | 115 | S3776 R3780 F3800 H3801 I3806 R3856 E3894 | S3776-H3804 PolarHBondContact OG-NE2 3.3Å; R3780-H3804 PolarHBondContact NH1-NE2 3.13Å; R3780-H3804 PolarHBondContact NH2-CE1 3.09Å; R3780-H3804 VanDerWaalsContact NH2-CE1 3.25Å; R3780-H3804 PolarHBondContact NH2-NE2 3.03Å; F3800-H3804 AromaticContact CD1-CD2 3.73Å; F3800-H3804 VanDerWaalsContact CD1-CD2 3.5Å; F3800-H3804 WeakPolarHBondContact CD1-CD2 3.39Å; F3800-H3804 AromaticContact CD1-NE2 3.93Å; F3800-H3804 AromaticContact CE1-CD2 3.3Å; F3800-H3804 WeakPolarHBondContact CE1-CD2 3.46Å; F3800-H3804 AromaticContact CE1-NE2 3.42Å; F3800-H3804 WeakPolarHBondContact CE1-NE2 3.38Å; F3800-H3804 AromaticContact CZ-CD2 3.55Å; F3800-H3804 WeakPolarHBondContact CZ-CD2 3.13Å; F3800-H3804 AromaticContact CZ-NE2 3.35Å; F3800-H3804 VanDerWaalsContact CZ-NE2 3.29Å; F3800-H3804 WeakPolarHBondContact CZ-NE2 3.49Å; F3800-H3804 PolarHBondContact O-N 3.05Å; H3801-H3804 PolarHBondContact O-N 3.09Å; H3801-H3804 VanDerWaalsContact O-N 3.12Å; H3804-I3806 VanDerWaalsContact C-N 3.29Å; H3804-I3806 WeakPolarHBondContact O-CG1 3.46Å; H3804-I3806 PolarHBondContact O-N 3.29Å; H3804-I3806 VanDerWaalsContact O-N 3.09Å; H3804-R3856 VanDerWaalsContact CE1-CD 3.46Å; H3804-R3856 WeakPolarHBondContact CE1-CD 3.24Å; H3804-R3856 WeakPolarHBondContact ND1-CD 3.33Å; H3804-R3856 PolarHBondContact O-NH1 2.96Å; H3804-R3856 PolarHBondContact O-NH2 3.24Å; H3804-E3894 IonicContact CE1-OE1 2.78Å |
| 3805 | D | 57.7 | Low | 63.4 | Low | 56.5 Ų | 56.5 | 43.5 Ų | 43.5 | 30% | 0.302 | 24% | 0.24 | S | C | . | . | trans | -73.3 | 88.5 | -176.6 | -163.2 | 13.1 | 0 | 0 | 0 | 111.8 | R3772 H3801 S3807 C3808 R3856 | R3772-D3805 VanDerWaalsContact CZ-O 3.23Å; R3772-D3805 PolarHBondContact NH1-O 3.27Å; R3772-D3805 VanDerWaalsContact NH2-N 3.15Å; R3772-D3805 PolarHBondContact NH2-O 3.1Å; H3801-D3805 PolarHBondContact O-N 2.92Å; D3805-S3807 VanDerWaalsContact CG-OG 3.31Å; D3805-S3807 PolarHBondContact O-N 2.92Å; D3805-S3807 WeakPolarHBondContact OD1-CB 3.48Å; D3805-S3807 PolarHBondContact OD1-N 3.42Å; D3805-S3807 VanDerWaalsContact OD1-N 3.16Å; D3805-S3807 PolarHBondContact OD1-OG 3.19Å; D3805-S3807 PolarHBondContact OD2-OG 2.93Å; D3805-C3808 HydrophobicContact CB-CB 4.4Å; D3805-C3808 WeakPolarHBondContact O-CB 3.32Å; D3805-C3808 PolarHBondContact O-N 3.08Å; D3805-R3856 IonicContact OD1-NH1 2.69Å; D3805-R3856 PolarHBondContact OD1-NH1 3.28Å | ||
| 3806 | I | 53 | Low | 63.7 | Low | 145.5 Ų | 145.5 | 42.2 Ų | 42.2 | 75% | 0.746 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -27.1 | -172.2 | -56.5 | 172.9 | 0 | 0 | 0 | 112.1 | H3804 C3808 | H3804-I3806 VanDerWaalsContact C-N 3.29Å; H3804-I3806 WeakPolarHBondContact O-CG1 3.46Å; H3804-I3806 PolarHBondContact O-N 3.29Å; H3804-I3806 VanDerWaalsContact O-N 3.09Å; I3806-C3808 VanDerWaalsContact C-N 3.28Å; I3806-C3808 PolarHBondContact O-N 2.99Å |
| 3807 | S | 48.9 | Very low | 63.9 | Low | 96.5 Ų | 96.5 | 44.9 Ų | 44.9 | 68% | 0.675 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -28.6 | 175.1 | 64.8 | 0 | 0 | 0 | 0 | 113.8 | D3805 S3809 | D3805-S3807 VanDerWaalsContact CG-OG 3.31Å; D3805-S3807 PolarHBondContact O-N 2.92Å; D3805-S3807 WeakPolarHBondContact OD1-CB 3.48Å; D3805-S3807 PolarHBondContact OD1-N 3.42Å; D3805-S3807 VanDerWaalsContact OD1-N 3.16Å; D3805-S3807 PolarHBondContact OD1-OG 3.19Å; D3805-S3807 PolarHBondContact OD2-OG 2.93Å; S3807-S3809 PolarHBondContact O-N 3.08Å |
| 3808 | C | 56.2 | Low | 64.3 | Low | 46 Ų | 46 | 45.3 Ų | 45.3 | 31% | 0.311 | 25% | 0.252 | S | S | . | . | trans | -90.7 | 105.7 | -176.4 | -129.6 | 0 | 0 | 0 | 0 | 111.1 | R3772 D3805 I3806 V3810 | R3772-C3808 VanDerWaalsContact CZ-O 3.29Å; R3772-C3808 PolarHBondContact NH1-O 3.02Å; R3772-C3808 PolarHBondContact NH2-O 3.29Å; D3805-C3808 HydrophobicContact CB-CB 4.4Å; D3805-C3808 WeakPolarHBondContact O-CB 3.32Å; D3805-C3808 PolarHBondContact O-N 3.08Å; I3806-C3808 VanDerWaalsContact C-N 3.28Å; I3806-C3808 PolarHBondContact O-N 2.99Å; C3808-V3810 PolarHBondContact O-N 3.31Å; C3808-V3810 PolarHBondContact SG-O 3.16Å; C3808-V3810 VanDerWaalsContact SG-O 3.4Å | ||
| 3809 | S | 62.1 | Low | 64.7 | Low | 83.25 Ų | 83.25 | 44.4 Ų | 44.4 | 58% | 0.582 | 25% | 0.247 | S | C | * | . | trans | -77.6 | 2.7 | 176.1 | 57 | 0 | 0 | 0 | 0 | 114 | P3766 I3767 S3807 | P3766-S3809 VanDerWaalsContact CA-O 3.32Å; P3766-S3809 WeakPolarHBondContact CA-O 3.39Å; I3767-S3809 PolarHBondContact N-O 2.86Å; I3767-S3809 VanDerWaalsContact N-O 3.15Å; S3807-S3809 PolarHBondContact O-N 3.08Å | ||
| 3810 | V | 65.4 | Low | 65 | Low | 36 Ų | 36 | 47.2 Ų | 47.2 | 22% | 0.218 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 135 | -166.8 | -123.8 | 0 | 0 | 0 | 0 | 111.1 | Q3764 I3765 C3808 | Q3764-V3810 HydrophobicContact CB-CB 4.03Å; Q3764-V3810 HydrophobicContact CB-CG1 3.42Å; Q3764-V3810 VanDerWaalsContact CB-CG1 3.45Å; Q3764-V3810 HydrophobicContact CB-CG2 4.27Å; Q3764-V3810 HydrophobicContact CG-CG1 4.16Å; Q3764-V3810 HydrophobicContact CG-CG2 4.46Å; I3765-V3810 VanDerWaalsContact C-CG1 3.42Å; I3765-V3810 CarbonylContact O-C 3.5Å; I3765-V3810 VanDerWaalsContact O-CA 3.26Å; I3765-V3810 WeakPolarHBondContact O-CA 3.39Å; I3765-V3810 VanDerWaalsContact O-CG1 3.27Å; I3765-V3810 WeakPolarHBondContact O-CG1 3.34Å; C3808-V3810 PolarHBondContact O-N 3.31Å; C3808-V3810 PolarHBondContact SG-O 3.16Å; C3808-V3810 VanDerWaalsContact SG-O 3.4Å |
| 3811 | L | 69.4 | Low | 65.4 | Low | 1.25 Ų | 1.25 | 50.3 Ų | 50.3 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 136.2 | 178 | -99.1 | 131.9 | 0 | 0 | 0 | 111.6 | F3752 Q3764 I3765 I3767 R3772 L3775 Y3802 L3803 V3813 T3815 V3816 F3819 | F3752-L3811 HydrophobicContact CZ-CD1 4.47Å; Q3764-L3811 CarbonylContact C-O 3.57Å; Q3764-L3811 VanDerWaalsContact CA-O 3.28Å; Q3764-L3811 WeakPolarHBondContact CA-O 3.35Å; I3765-L3811 PolarHBondContact N-O 3.12Å; I3765-L3811 PolarHBondContact O-N 2.98Å; I3767-L3811 HydrophobicContact CB-CD1 3.98Å; I3767-L3811 HydrophobicContact CD1-CB 3.76Å; I3767-L3811 HydrophobicContact CD1-CD1 3.47Å; I3767-L3811 VanDerWaalsContact CD1-CD1 3.41Å; I3767-L3811 HydrophobicContact CD1-CD2 4.22Å; I3767-L3811 HydrophobicContact CD1-CG 4.11Å; I3767-L3811 HydrophobicContact CG1-CB 4.27Å; I3767-L3811 HydrophobicContact CG1-CD1 4.19Å; I3767-L3811 HydrophobicContact CG2-CD1 3.73Å; I3767-L3811 HydrophobicContact CG2-CG 4.03Å; R3772-L3811 HydrophobicContact CG-CD1 4.36Å; L3775-L3811 HydrophobicContact CD1-CD1 4.15Å; Y3802-L3811 WeakPolarHBondContact O-CD1 3.29Å; L3803-L3811 HydrophobicContact CD2-CD1 3.93Å; L3803-L3811 HydrophobicContact CD2-CD2 3.8Å; L3803-L3811 HydrophobicContact CD2-CG 4.37Å; L3803-L3811 HydrophobicContact CG-CD2 4.35Å; L3811-V3813 PolarHBondContact O-N 3.18Å; L3811-T3815 HydrophobicContact CD2-CG2 3.75Å; L3811-V3816 HydrophobicContact CB-CG2 4.44Å; L3811-V3816 HydrophobicContact CD2-CG2 4.19Å; L3811-F3819 HydrophobicContact CD2-CE2 4.15Å |
| 3812 | P | 69.3 | Low | 66 | Low | 23 Ų | 23 | 49.2 Ų | 49.2 | 15% | 0.149 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 140.5 | 172.6 | -19.9 | 30.2 | 0 | 0 | 0 | 112.1 | Y3802 Q3814 T3815 V3816 | Y3802-P3812 HydrophobicContact CD1-CG 3.87Å; Y3802-P3812 HydrophobicContact CD2-CG 4.38Å; Y3802-P3812 HydrophobicContact CE1-CG 4.04Å; Y3802-P3812 HydrophobicContact CE2-CG 4.45Å; Y3802-P3812 HydrophobicContact CG-CG 4.11Å; P3812-Q3814 PolarHBondContact O-N 3.06Å; P3812-T3815 WeakPolarHBondContact CB-OG1 3.44Å; P3812-T3815 WeakPolarHBondContact CD-OG1 3.47Å; P3812-T3815 WeakPolarHBondContact O-CA 3.41Å; P3812-T3815 VanDerWaalsContact O-CB 3.27Å; P3812-T3815 WeakPolarHBondContact O-CB 3.22Å; P3812-T3815 PolarHBondContact O-N 3.14Å; P3812-T3815 PolarHBondContact O-OG1 3.24Å; P3812-V3816 PolarHBondContact O-N 3.15Å |
| 3813 | V | 67.5 | Low | 66.6 | Low | 47.75 Ų | 47.75 | 45.4 Ų | 45.4 | 29% | 0.289 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.7 | -31.4 | 176.2 | 172.9 | 0 | 0 | 0 | 0 | 112.2 | L3762 T3763 I3765 L3811 T3815 V3816 S3817 | L3762-V3813 VanDerWaalsContact O-CG2 3.3Å; L3762-V3813 WeakPolarHBondContact O-CG2 3.33Å; T3763-V3813 PolarHBondContact O-N 3.17Å; I3765-V3813 HydrophobicContact CD1-CG2 3.95Å; I3765-V3813 HydrophobicContact CG1-CG2 4.12Å; L3811-V3813 PolarHBondContact O-N 3.18Å; V3813-T3815 VanDerWaalsContact C-N 3.28Å; V3813-T3815 PolarHBondContact O-N 2.99Å; V3813-V3816 PolarHBondContact O-N 3.22Å; V3813-S3817 WeakPolarHBondContact O-CB 3.47Å; V3813-S3817 PolarHBondContact O-N 3.25Å; V3813-S3817 PolarHBondContact O-OG 3.13Å |
| 3814 | Q | 66.6 | Low | 66.9 | Low | 144.25 Ų | 144.25 | 48.2 Ų | 48.2 | 67% | 0.674 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -59.2 | -37.9 | 172.9 | -70.7 | 169.9 | -17.8 | 0 | 0 | 112.2 | P3812 S3817 Y3818 | P3812-Q3814 PolarHBondContact O-N 3.06Å; Q3814-S3817 VanDerWaalsContact CA-OG 3.22Å; Q3814-S3817 WeakPolarHBondContact CA-OG 3.35Å; Q3814-S3817 PolarHBondContact O-N 3.14Å; Q3814-S3817 PolarHBondContact O-OG 3.16Å; Q3814-S3817 VanDerWaalsContact O-OG 3.04Å; Q3814-Y3818 WeakPolarHBondContact O-CB 3.35Å; Q3814-Y3818 PolarHBondContact O-N 3.03Å |
| 3815 | T | 71.2 | Confident | 67.2 | Low | 0.75 Ų | 0.75 | 48.6 Ų | 48.6 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.4 | -41.6 | 177.4 | -52.8 | 0 | 0 | 0 | 0 | 111.3 | H3799 L3811 P3812 V3813 Y3818 F3819 | H3799-T3815 HydrophobicContact CB-CG2 3.86Å; H3799-T3815 WeakPolarHBondContact ND1-CA 3.37Å; H3799-T3815 WeakPolarHBondContact ND1-CB 3.43Å; H3799-T3815 WeakPolarHBondContact ND1-CG2 3.44Å; H3799-T3815 PolarHBondContact ND1-OG1 3.29Å; L3811-T3815 HydrophobicContact CD2-CG2 3.75Å; P3812-T3815 WeakPolarHBondContact CB-OG1 3.44Å; P3812-T3815 WeakPolarHBondContact CD-OG1 3.47Å; P3812-T3815 WeakPolarHBondContact O-CA 3.41Å; P3812-T3815 VanDerWaalsContact O-CB 3.27Å; P3812-T3815 WeakPolarHBondContact O-CB 3.22Å; P3812-T3815 PolarHBondContact O-N 3.14Å; P3812-T3815 PolarHBondContact O-OG1 3.24Å; V3813-T3815 VanDerWaalsContact C-N 3.28Å; V3813-T3815 PolarHBondContact O-N 2.99Å; T3815-Y3818 PolarHBondContact O-N 3.21Å; T3815-F3819 HydrophobicContact CG2-CD2 4.14Å; T3815-F3819 HydrophobicContact CG2-CE1 4.3Å; T3815-F3819 HydrophobicContact CG2-CE2 3.38Å; T3815-F3819 HydrophobicContact CG2-CZ 3.5Å; T3815-F3819 VanDerWaalsContact O-CD2 3.26Å; T3815-F3819 WeakPolarHBondContact O-CD2 3.31Å; T3815-F3819 VanDerWaalsContact O-CG 3.29Å; T3815-F3819 WeakPolarHBondContact O-CG 3.24Å; T3815-F3819 PolarHBondContact O-N 3.34Å |
| 3816 | V | 71.4 | Confident | 67.6 | Low | 2.75 Ų | 2.75 | 47.5 Ų | 47.5 | 2% | 0.017 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 175.5 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | L3749 I3765 L3811 P3812 V3813 Y3818 F3819 R3820 | L3749-V3816 HydrophobicContact CD2-CG1 3.92Å; I3765-V3816 HydrophobicContact CD1-CB 4.25Å; I3765-V3816 HydrophobicContact CD1-CG1 4.38Å; I3765-V3816 HydrophobicContact CD1-CG2 3.85Å; L3811-V3816 HydrophobicContact CB-CG2 4.44Å; L3811-V3816 HydrophobicContact CD2-CG2 4.19Å; P3812-V3816 PolarHBondContact O-N 3.15Å; V3813-V3816 PolarHBondContact O-N 3.22Å; V3816-Y3818 VanDerWaalsContact C-N 3.31Å; V3816-Y3818 PolarHBondContact O-N 3.22Å; V3816-F3819 PolarHBondContact O-N 3.11Å; V3816-R3820 WeakPolarHBondContact O-CG 3.42Å; V3816-R3820 PolarHBondContact O-N 3Å |
| 3817 | S | 70.3 | Confident | 68.1 | Low | 57.5 Ų | 57.5 | 41.9 Ų | 41.9 | 40% | 0.402 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.3 | -39.8 | 175.6 | -8.9 | 0 | 0 | 0 | 0 | 112.1 | V3813 Q3814 R3820 Y3821 | V3813-S3817 WeakPolarHBondContact O-CB 3.47Å; V3813-S3817 PolarHBondContact O-N 3.25Å; V3813-S3817 PolarHBondContact O-OG 3.13Å; Q3814-S3817 VanDerWaalsContact CA-OG 3.22Å; Q3814-S3817 WeakPolarHBondContact CA-OG 3.35Å; Q3814-S3817 PolarHBondContact O-N 3.14Å; Q3814-S3817 PolarHBondContact O-OG 3.16Å; Q3814-S3817 VanDerWaalsContact O-OG 3.04Å; S3817-R3820 PolarHBondContact O-N 3.24Å; S3817-Y3821 PolarHBondContact O-N 3.22Å |
| 3818 | Y | 73.8 | Confident | 68.5 | Low | 17 Ų | 17 | 39.2 Ų | 39.2 | 7% | 0.067 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -44 | 171.4 | 177.9 | -94.8 | 0 | 0 | 0 | 112 | H3792 T3795 M3796 H3799 Q3814 T3815 V3816 R3820 Y3821 F3822 | H3792-Y3818 PolarHBondContact CD2-OH 3.17Å; H3792-Y3818 AromaticContact CE1-CE2 3.77Å; H3792-Y3818 AromaticContact CE1-CZ 3.67Å; H3792-Y3818 PolarHBondContact CE1-OH 3.24Å; H3792-Y3818 PolarHBondContact ND1-OH 3.31Å; H3792-Y3818 PolarHBondContact NE2-OH 3.28Å; H3792-Y3818 PolarHBondContact O-OH 3.04Å; T3795-Y3818 HydrophobicContact CG2-CD2 4.03Å; T3795-Y3818 HydrophobicContact CG2-CE2 3.7Å; T3795-Y3818 PolarHBondContact OG1-OH 3.24Å; M3796-Y3818 HydrophobicContact CB-CE1 4.4Å; M3796-Y3818 WeakPolarHBondContact CB-OH 3.4Å; M3796-Y3818 HydrophobicContact CG-CE1 4.03Å; M3796-Y3818 WeakPolarHBondContact CG-OH 3.43Å; M3796-Y3818 PolarHBondContact N-OH 2.79Å; M3796-Y3818 HydrophobicContact SD-CE1 3.78Å; H3799-Y3818 HydrophobicContact CB-CD1 4.34Å; H3799-Y3818 AromaticContact CD2-CD1 3.27Å; H3799-Y3818 WeakPolarHBondContact CD2-CD1 3.35Å; H3799-Y3818 AromaticContact CD2-CD2 3.84Å; H3799-Y3818 AromaticContact CD2-CE1 3.73Å; H3799-Y3818 AromaticContact CD2-CG 3.33Å; H3799-Y3818 VanDerWaalsContact CD2-CG 3.41Å; H3799-Y3818 AromaticContact CG-CD1 3.85Å; H3799-Y3818 WeakPolarHBondContact NE2-CB 3.4Å; H3799-Y3818 AromaticContact NE2-CD1 3.91Å; H3799-Y3818 AromaticContact NE2-CD2 3.77Å; H3799-Y3818 AromaticContact NE2-CG 3.44Å; Q3814-Y3818 WeakPolarHBondContact O-CB 3.35Å; Q3814-Y3818 PolarHBondContact O-N 3.03Å; T3815-Y3818 PolarHBondContact O-N 3.21Å; V3816-Y3818 VanDerWaalsContact C-N 3.31Å; V3816-Y3818 PolarHBondContact O-N 3.22Å; Y3818-R3820 VanDerWaalsContact C-N 3.33Å; Y3818-R3820 PolarHBondContact O-N 2.88Å; Y3818-Y3821 CarbonylContact O-C 3.52Å; Y3818-Y3821 WeakPolarHBondContact O-CA 3.42Å; Y3818-Y3821 WeakPolarHBondContact O-CB 3.28Å; Y3818-Y3821 PolarHBondContact O-N 3.1Å; Y3818-Y3821 VanDerWaalsContact O-N 3.14Å; Y3818-F3822 HydrophobicContact CE1-CB 4.47Å; Y3818-F3822 WeakPolarHBondContact O-CB 3.38Å; Y3818-F3822 PolarHBondContact O-N 3.14Å |
| 3819 | F | 74.6 | Confident | 68.3 | Low | 1.5 Ų | 1.5 | 41.3 Ų | 41.3 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64 | -36.1 | 176.4 | -64.7 | -33 | 0 | 0 | 0 | 112.8 | L3749 L3775 L3779 H3799 L3803 L3811 T3815 V3816 Y3821 F3822 V3823 | L3749-F3819 HydrophobicContact CD1-CB 4.23Å; L3749-F3819 HydrophobicContact CD2-CB 3.96Å; L3775-F3819 HydrophobicContact CD1-CD2 4.32Å; L3775-F3819 HydrophobicContact CD1-CE2 4.18Å; L3775-F3819 HydrophobicContact CD2-CD1 4.32Å; L3775-F3819 HydrophobicContact CD2-CD2 3.86Å; L3775-F3819 HydrophobicContact CD2-CE1 4.26Å; L3775-F3819 HydrophobicContact CD2-CE2 3.58Å; L3775-F3819 HydrophobicContact CD2-CG 4.27Å; L3775-F3819 HydrophobicContact CD2-CZ 3.92Å; L3775-F3819 HydrophobicContact CG-CE2 4.46Å; L3779-F3819 HydrophobicContact CD1-CD1 4.17Å; L3779-F3819 HydrophobicContact CD1-CE1 3.34Å; L3779-F3819 HydrophobicContact CD1-CE2 4.38Å; L3779-F3819 HydrophobicContact CD1-CZ 3.6Å; L3779-F3819 VanDerWaalsContact CD1-CZ 3.5Å; L3779-F3819 HydrophobicContact CD2-CD1 4.22Å; L3779-F3819 HydrophobicContact CD2-CE1 4.05Å; L3779-F3819 HydrophobicContact CG-CE1 4.27Å; H3799-F3819 HydrophobicContact CB-CE1 4.1Å; H3799-F3819 HydrophobicContact CB-CZ 4.12Å; L3803-F3819 HydrophobicContact CD1-CE2 4.2Å; L3803-F3819 HydrophobicContact CD1-CZ 3.73Å; L3803-F3819 HydrophobicContact CD2-CE2 4.45Å; L3803-F3819 HydrophobicContact CG-CE2 4.37Å; L3803-F3819 HydrophobicContact CG-CZ 4.34Å; L3811-F3819 HydrophobicContact CD2-CE2 4.15Å; T3815-F3819 HydrophobicContact CG2-CD2 4.14Å; T3815-F3819 HydrophobicContact CG2-CE1 4.3Å; T3815-F3819 HydrophobicContact CG2-CE2 3.38Å; T3815-F3819 HydrophobicContact CG2-CZ 3.5Å; T3815-F3819 VanDerWaalsContact O-CD2 3.26Å; T3815-F3819 WeakPolarHBondContact O-CD2 3.31Å; T3815-F3819 VanDerWaalsContact O-CG 3.29Å; T3815-F3819 WeakPolarHBondContact O-CG 3.24Å; T3815-F3819 PolarHBondContact O-N 3.34Å; V3816-F3819 PolarHBondContact O-N 3.11Å; F3819-Y3821 VanDerWaalsContact C-N 3.35Å; F3819-F3822 PolarHBondContact O-N 3.14Å; F3819-V3823 WeakPolarHBondContact O-CB 3.4Å; F3819-V3823 VanDerWaalsContact O-CG2 3.29Å; F3819-V3823 WeakPolarHBondContact O-CG2 3.29Å; F3819-V3823 PolarHBondContact O-N 3.09Å |
| 3820 | R | 74.3 | Confident | 67.4 | Low | 79.25 Ų | 79.25 | 45.1 Ų | 45.1 | 30% | 0.299 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.2 | -42.4 | 170.9 | -72.4 | -174.8 | -173.3 | 162.5 | 12.6 | 112.3 | L3749 D3753 F3757 V3816 S3817 Y3818 F3822 V3823 S3824 | L3749-R3820 HydrophobicContact CD1-CG 4.05Å; L3749-R3820 HydrophobicContact CD2-CG 4.3Å; L3749-R3820 PolarHBondContact O-NH2 2.92Å; D3753-R3820 VanDerWaalsContact CG-CZ 3.49Å; D3753-R3820 VanDerWaalsContact CG-NH1 3.26Å; D3753-R3820 IonicContact OD1-CZ 3.32Å; D3753-R3820 IonicContact OD1-NH1 3.57Å; D3753-R3820 PolarHBondContact OD1-NH1 2.94Å; D3753-R3820 IonicContact OD1-NH2 3.2Å; D3753-R3820 PolarHBondContact OD1-NH2 3.14Å; D3753-R3820 IonicContact OD2-CZ 3.08Å; D3753-R3820 VanDerWaalsContact OD2-CZ 3.28Å; D3753-R3820 IonicContact OD2-NE 3.32Å; D3753-R3820 IonicContact OD2-NH1 3.58Å; D3753-R3820 PolarHBondContact OD2-NH1 2.86Å; D3753-R3820 IonicContact OD2-NH2 3.36Å; D3753-R3820 PolarHBondContact OD2-NH2 3.16Å; F3757-R3820 VanDerWaalsContact CE2-NH2 3.33Å; V3816-R3820 WeakPolarHBondContact O-CG 3.42Å; V3816-R3820 PolarHBondContact O-N 3Å; S3817-R3820 PolarHBondContact O-N 3.24Å; Y3818-R3820 VanDerWaalsContact C-N 3.33Å; Y3818-R3820 PolarHBondContact O-N 2.88Å; R3820-F3822 VanDerWaalsContact C-N 3.34Å; R3820-V3823 PolarHBondContact O-N 3.27Å; R3820-S3824 VanDerWaalsContact O-CB 3.25Å; R3820-S3824 WeakPolarHBondContact O-CB 3.12Å; R3820-S3824 PolarHBondContact O-N 3.33Å; R3820-S3824 PolarHBondContact O-OG 3.16Å |
| 3821 | Y | 74.2 | Confident | 66.3 | Low | 68.75 Ų | 68.75 | 47.9 Ų | 47.9 | 27% | 0.27 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.3 | -45 | 173.7 | 174 | -97.2 | 0 | 0 | 0 | 111.4 | S3817 Y3818 F3819 V3823 S3824 C3825 M3826 Y3838 | S3817-Y3821 PolarHBondContact O-N 3.22Å; Y3818-Y3821 CarbonylContact O-C 3.52Å; Y3818-Y3821 WeakPolarHBondContact O-CA 3.42Å; Y3818-Y3821 WeakPolarHBondContact O-CB 3.28Å; Y3818-Y3821 PolarHBondContact O-N 3.1Å; Y3818-Y3821 VanDerWaalsContact O-N 3.14Å; F3819-Y3821 VanDerWaalsContact C-N 3.35Å; Y3821-V3823 VanDerWaalsContact C-N 3.34Å; Y3821-V3823 PolarHBondContact O-N 3.3Å; Y3821-S3824 WeakPolarHBondContact CA-OG 3.38Å; Y3821-S3824 CarbonylContact O-C 3.56Å; Y3821-S3824 PolarHBondContact O-N 3.05Å; Y3821-S3824 PolarHBondContact O-OG 3.11Å; Y3821-C3825 HydrophobicContact CD2-CB 4.21Å; Y3821-C3825 VanDerWaalsContact CD2-SG 3.57Å; Y3821-C3825 HydrophobicContact CE1-CB 4.46Å; Y3821-C3825 WeakPolarHBondContact CE1-SG 3.44Å; Y3821-C3825 HydrophobicContact CE2-CB 3.87Å; Y3821-C3825 VanDerWaalsContact CE2-SG 3.54Å; Y3821-C3825 WeakPolarHBondContact CE2-SG 3.37Å; Y3821-C3825 VanDerWaalsContact O-CB 3.27Å; Y3821-C3825 WeakPolarHBondContact O-CB 3.37Å; Y3821-C3825 PolarHBondContact O-N 3.25Å; Y3821-C3825 PolarHBondContact O-SG 3.32Å; Y3821-M3826 HydrophobicContact CE1-CE 3.85Å; Y3821-M3826 HydrophobicContact CE1-CG 4.3Å; Y3821-M3826 WeakPolarHBondContact OH-CE 3.47Å; Y3821-Y3838 HydrophobicContact CD2-CD2 4.27Å; Y3821-Y3838 AromaticContact CD2-CE2 3.84Å; Y3821-Y3838 HydrophobicContact CD2-CE2 3.84Å; Y3821-Y3838 HydrophobicContact CE1-CD2 4.09Å; Y3821-Y3838 HydrophobicContact CE1-CE2 4.43Å; Y3821-Y3838 AromaticContact CE2-CD2 3.61Å; Y3821-Y3838 HydrophobicContact CE2-CD2 3.61Å; Y3821-Y3838 AromaticContact CE2-CE2 3.62Å; Y3821-Y3838 HydrophobicContact CE2-CE2 3.87Å; Y3821-Y3838 HydrophobicContact CG-CE2 4.33Å; Y3821-Y3838 AromaticContact CZ-CD2 3.5Å; Y3821-Y3838 VanDerWaalsContact CZ-CD2 3.5Å; Y3821-Y3838 AromaticContact CZ-CE2 3.94Å |
| 3822 | F | 74.4 | Confident | 64.9 | Low | 0.25 Ų | 0.25 | 53.5 Ų | 53.5 | 0% | 0.001 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -59.6 | -46.9 | 177.8 | -175.1 | -107.8 | 0 | 0 | 0 | 111.9 | L3745 L3779 S3782 Y3788 H3792 M3796 Y3818 F3819 R3820 S3824 C3825 M3826 L3827 | L3745-F3822 HydrophobicContact CD1-CD1 4.18Å; L3745-F3822 HydrophobicContact CD1-CE1 4.25Å; L3779-F3822 HydrophobicContact CD2-CD1 4.12Å; L3779-F3822 HydrophobicContact CD2-CE1 4.08Å; S3782-F3822 WeakPolarHBondContact OG-CZ 3.31Å; Y3788-F3822 HydrophobicContact CD1-CE2 4.4Å; Y3788-F3822 AromaticContact CE1-CE2 3.8Å; Y3788-F3822 HydrophobicContact CE1-CE2 3.87Å; Y3788-F3822 HydrophobicContact CE1-CZ 4.27Å; Y3788-F3822 AromaticContact CZ-CE2 3.87Å; Y3788-F3822 AromaticContact CZ-CZ 3.81Å; Y3788-F3822 WeakPolarHBondContact OH-CZ 3.24Å; H3792-F3822 AromaticContact CE1-CD2 3.97Å; H3792-F3822 AromaticContact NE2-CD2 3.55Å; H3792-F3822 WeakPolarHBondContact NE2-CD2 3.22Å; H3792-F3822 AromaticContact NE2-CE2 3.65Å; M3796-F3822 HydrophobicContact CE-CD2 4.14Å; M3796-F3822 HydrophobicContact CE-CE1 4.03Å; M3796-F3822 HydrophobicContact CE-CE2 3.65Å; M3796-F3822 HydrophobicContact CE-CZ 3.76Å; M3796-F3822 HydrophobicContact CG-CE2 4.48Å; M3796-F3822 HydrophobicContact SD-CD2 3.81Å; M3796-F3822 HydrophobicContact SD-CE2 3.99Å; M3796-F3822 HydrophobicContact SD-CG 4.2Å; M3796-F3822 HydrophobicContact SD-CZ 4.21Å; Y3818-F3822 HydrophobicContact CE1-CB 4.47Å; Y3818-F3822 WeakPolarHBondContact O-CB 3.38Å; Y3818-F3822 PolarHBondContact O-N 3.14Å; F3819-F3822 PolarHBondContact O-N 3.14Å; R3820-F3822 VanDerWaalsContact C-N 3.34Å; F3822-S3824 VanDerWaalsContact C-N 3.26Å; F3822-S3824 PolarHBondContact O-N 3.19Å; F3822-C3825 WeakPolarHBondContact O-CB 3.24Å; F3822-C3825 PolarHBondContact O-N 3.43Å; F3822-C3825 VanDerWaalsContact O-N 3.11Å; F3822-M3826 HydrophobicContact CD1-CG 4.4Å; F3822-M3826 HydrophobicContact CD2-CB 3.66Å; F3822-M3826 HydrophobicContact CD2-CG 4.01Å; F3822-M3826 HydrophobicContact CE1-CE 4.08Å; F3822-M3826 HydrophobicContact CE1-CG 4.25Å; F3822-M3826 HydrophobicContact CE1-SD 4.4Å; F3822-M3826 HydrophobicContact CE2-CB 3.87Å; F3822-M3826 HydrophobicContact CE2-CG 4.42Å; F3822-M3826 HydrophobicContact CG-CB 4.45Å; F3822-M3826 HydrophobicContact CZ-CE 4.4Å; F3822-M3826 HydrophobicContact CZ-SD 4.42Å; F3822-M3826 WeakPolarHBondContact O-CA 3.24Å; F3822-M3826 WeakPolarHBondContact O-CB 3.2Å; F3822-M3826 VanDerWaalsContact O-CG 3.28Å; F3822-M3826 WeakPolarHBondContact O-CG 3.29Å; F3822-M3826 PolarHBondContact O-N 2.87Å; F3822-L3827 HydrophobicContact CD1-CD1 3.83Å; F3822-L3827 HydrophobicContact CD1-CG 4Å; F3822-L3827 HydrophobicContact CE1-CD1 3.63Å; F3822-L3827 HydrophobicContact CE1-CD2 3.88Å; F3822-L3827 HydrophobicContact CE1-CG 3.67Å; F3822-L3827 HydrophobicContact CZ-CD1 4.47Å; F3822-L3827 HydrophobicContact CZ-CD2 3.98Å; F3822-L3827 HydrophobicContact CZ-CG 4.09Å; F3822-L3827 PolarHBondContact O-N 2.93Å |
| 3823 | V | 74.7 | Confident | 63.3 | Low | 10 Ų | 10 | 61.2 Ų | 61.2 | 6% | 0.061 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -63.6 | -39.3 | 176.3 | 167.3 | 0 | 0 | 0 | 0 | 112.7 | R3742 L3745 I3746 L3749 F3819 R3820 Y3821 L3827 | R3742-V3823 HydrophobicContact CG-CG1 4.17Å; L3745-V3823 HydrophobicContact CB-CG2 3.6Å; L3745-V3823 HydrophobicContact CD1-CG2 3.92Å; L3745-V3823 HydrophobicContact CG-CG2 4.36Å; I3746-V3823 HydrophobicContact CD1-CG1 3.98Å; I3746-V3823 HydrophobicContact CG1-CG1 3.54Å; I3746-V3823 VanDerWaalsContact CG1-CG1 3.45Å; L3749-V3823 HydrophobicContact CD1-CB 4.47Å; L3749-V3823 HydrophobicContact CD1-CG2 3.89Å; F3819-V3823 WeakPolarHBondContact O-CB 3.4Å; F3819-V3823 VanDerWaalsContact O-CG2 3.29Å; F3819-V3823 WeakPolarHBondContact O-CG2 3.29Å; F3819-V3823 PolarHBondContact O-N 3.09Å; R3820-V3823 PolarHBondContact O-N 3.27Å; Y3821-V3823 VanDerWaalsContact C-N 3.34Å; Y3821-V3823 PolarHBondContact O-N 3.3Å; V3823-L3827 HydrophobicContact CG2-CD1 4.24Å |
| 3824 | S | 70.4 | Confident | 61.5 | Low | 68 Ų | 68 | 61.9 Ų | 61.9 | 48% | 0.476 | 31% | 0.31 | S | S | . | . | I | π-helix | trans | -81.3 | -29.8 | -176.5 | -2.9 | 0 | 0 | 0 | 0 | 113.5 | R3820 Y3821 F3822 L3827 T3828 | R3820-S3824 VanDerWaalsContact O-CB 3.25Å; R3820-S3824 WeakPolarHBondContact O-CB 3.12Å; R3820-S3824 PolarHBondContact O-N 3.33Å; R3820-S3824 PolarHBondContact O-OG 3.16Å; Y3821-S3824 WeakPolarHBondContact CA-OG 3.38Å; Y3821-S3824 CarbonylContact O-C 3.56Å; Y3821-S3824 PolarHBondContact O-N 3.05Å; Y3821-S3824 PolarHBondContact O-OG 3.11Å; F3822-S3824 VanDerWaalsContact C-N 3.26Å; F3822-S3824 PolarHBondContact O-N 3.19Å; S3824-L3827 WeakPolarHBondContact O-CB 3.28Å; S3824-L3827 PolarHBondContact O-N 3.31Å; S3824-T3828 WeakPolarHBondContact O-CG2 3.31Å |
| 3825 | C | 66.5 | Low | 59.8 | Low | 34 Ų | 34 | 63.3 Ų | 63.3 | 23% | 0.23 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -98.4 | -50 | -179.1 | -62.9 | 0 | 0 | 0 | 0 | 111.8 | Y3821 F3822 L3827 T3828 Y3831 | Y3821-C3825 HydrophobicContact CD2-CB 4.21Å; Y3821-C3825 VanDerWaalsContact CD2-SG 3.57Å; Y3821-C3825 HydrophobicContact CE1-CB 4.46Å; Y3821-C3825 WeakPolarHBondContact CE1-SG 3.44Å; Y3821-C3825 HydrophobicContact CE2-CB 3.87Å; Y3821-C3825 VanDerWaalsContact CE2-SG 3.54Å; Y3821-C3825 WeakPolarHBondContact CE2-SG 3.37Å; Y3821-C3825 VanDerWaalsContact O-CB 3.27Å; Y3821-C3825 WeakPolarHBondContact O-CB 3.37Å; Y3821-C3825 PolarHBondContact O-N 3.25Å; Y3821-C3825 PolarHBondContact O-SG 3.32Å; F3822-C3825 WeakPolarHBondContact O-CB 3.24Å; F3822-C3825 PolarHBondContact O-N 3.43Å; F3822-C3825 VanDerWaalsContact O-N 3.11Å; C3825-L3827 PolarHBondContact O-N 2.95Å; C3825-T3828 PolarHBondContact O-N 2.77Å; C3825-T3828 VanDerWaalsContact O-N 3.17Å; C3825-T3828 PolarHBondContact O-OG1 3.11Å; C3825-T3828 VanDerWaalsContact O-OG1 3.11Å; C3825-Y3831 HydrophobicContact CB-CE1 3.74Å; C3825-Y3831 WeakPolarHBondContact O-CD2 3.25Å; C3825-Y3831 WeakPolarHBondContact O-CE2 3.29Å |
| 3826 | M | 65.2 | Low | 57.8 | Low | 33.5 Ų | 33.5 | 70.4 Ų | 70.4 | 17% | 0.165 | 35% | 0.35 | C | S | . | . | I | π-helix | trans | -79.9 | -28.9 | -172.2 | -62.4 | -66.1 | -146.9 | 0 | 0 | 113.9 | F3738 Y3788 H3792 Y3821 F3822 T3828 Y3831 | F3738-M3826 HydrophobicContact CD1-CE 3.34Å; F3738-M3826 HydrophobicContact CD1-SD 4.33Å; F3738-M3826 HydrophobicContact CE1-CE 3.66Å; F3738-M3826 HydrophobicContact CG-CE 4.29Å; Y3788-M3826 HydrophobicContact CD1-CE 4.02Å; Y3788-M3826 HydrophobicContact CE1-CB 4.43Å; Y3788-M3826 HydrophobicContact CE1-CE 4.39Å; H3792-M3826 HydrophobicContact CB-CE 4.47Å; H3792-M3826 WeakPolarHBondContact CD2-CE 3.41Å; H3792-M3826 VanDerWaalsContact NE2-CE 3.27Å; H3792-M3826 WeakPolarHBondContact NE2-CE 3.47Å; Y3821-M3826 HydrophobicContact CE1-CE 3.85Å; Y3821-M3826 HydrophobicContact CE1-CG 4.3Å; Y3821-M3826 WeakPolarHBondContact OH-CE 3.47Å; F3822-M3826 HydrophobicContact CD1-CG 4.4Å; F3822-M3826 HydrophobicContact CD2-CB 3.66Å; F3822-M3826 HydrophobicContact CD2-CG 4.01Å; F3822-M3826 HydrophobicContact CE1-CE 4.08Å; F3822-M3826 HydrophobicContact CE1-CG 4.25Å; F3822-M3826 HydrophobicContact CE1-SD 4.4Å; F3822-M3826 HydrophobicContact CE2-CB 3.87Å; F3822-M3826 HydrophobicContact CE2-CG 4.42Å; F3822-M3826 HydrophobicContact CG-CB 4.45Å; F3822-M3826 HydrophobicContact CZ-CE 4.4Å; F3822-M3826 HydrophobicContact CZ-SD 4.42Å; F3822-M3826 WeakPolarHBondContact O-CA 3.24Å; F3822-M3826 WeakPolarHBondContact O-CB 3.2Å; F3822-M3826 VanDerWaalsContact O-CG 3.28Å; F3822-M3826 WeakPolarHBondContact O-CG 3.29Å; F3822-M3826 PolarHBondContact O-N 2.87Å; M3826-T3828 VanDerWaalsContact C-N 3.27Å; M3826-T3828 PolarHBondContact O-N 3.3Å; M3826-Y3831 VanDerWaalsContact CG-OH 3.3Å; M3826-Y3831 WeakPolarHBondContact CG-OH 3.2Å; M3826-Y3831 PolarHBondContact N-OH 3.29Å; M3826-Y3831 HydrophobicContact SD-CE2 3.96Å; M3826-Y3831 PolarHBondContact SD-OH 3.22Å |
| 3827 | L | 63.8 | Low | 55.7 | Low | 28 Ų | 28 | 75.2 Ų | 75.2 | 15% | 0.147 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -0.5 | 178.8 | -82.1 | 176.4 | 0 | 0 | 0 | 113.7 | F3738 I3741 R3742 L3745 F3822 V3823 S3824 C3825 | F3738-L3827 HydrophobicContact CB-CD2 4.39Å; F3738-L3827 HydrophobicContact CD1-CD2 3.53Å; F3738-L3827 VanDerWaalsContact CD1-CD2 3.48Å; F3738-L3827 HydrophobicContact CE1-CD2 4.16Å; F3738-L3827 HydrophobicContact CG-CD2 4.32Å; I3741-L3827 HydrophobicContact CG2-CD1 4Å; I3741-L3827 HydrophobicContact CG2-CD2 4.42Å; R3742-L3827 HydrophobicContact CB-CB 4.26Å; R3742-L3827 HydrophobicContact CB-CD1 4.18Å; R3742-L3827 HydrophobicContact CG-CB 4.29Å; R3742-L3827 VanDerWaalsContact CZ-CG 3.46Å; L3745-L3827 HydrophobicContact CD1-CD1 3.57Å; F3822-L3827 HydrophobicContact CD1-CD1 3.83Å; F3822-L3827 HydrophobicContact CD1-CG 4Å; F3822-L3827 HydrophobicContact CE1-CD1 3.63Å; F3822-L3827 HydrophobicContact CE1-CD2 3.88Å; F3822-L3827 HydrophobicContact CE1-CG 3.67Å; F3822-L3827 HydrophobicContact CZ-CD1 4.47Å; F3822-L3827 HydrophobicContact CZ-CD2 3.98Å; F3822-L3827 HydrophobicContact CZ-CG 4.09Å; F3822-L3827 PolarHBondContact O-N 2.93Å; V3823-L3827 HydrophobicContact CG2-CD1 4.24Å; S3824-L3827 WeakPolarHBondContact O-CB 3.28Å; S3824-L3827 PolarHBondContact O-N 3.31Å; C3825-L3827 PolarHBondContact O-N 2.95Å |
| 3828 | T | 57.8 | Low | 53.9 | Low | 40.75 Ų | 40.75 | 78.4 Ų | 78.4 | 25% | 0.25 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -92.1 | 111.8 | 179.3 | 63.6 | 0 | 0 | 0 | 0 | 110.8 | S3824 C3825 M3826 H3830 Y3831 | S3824-T3828 WeakPolarHBondContact O-CG2 3.31Å; C3825-T3828 PolarHBondContact O-N 2.77Å; C3825-T3828 VanDerWaalsContact O-N 3.17Å; C3825-T3828 PolarHBondContact O-OG1 3.11Å; C3825-T3828 VanDerWaalsContact O-OG1 3.11Å; M3826-T3828 VanDerWaalsContact C-N 3.27Å; M3826-T3828 PolarHBondContact O-N 3.3Å; T3828-H3830 PolarHBondContact O-N 3.12Å; T3828-H3830 PolarHBondContact O-ND1 3.32Å; T3828-H3830 PolarHBondContact OG1-N 3.27Å; T3828-Y3831 PolarHBondContact O-N 3.19Å; T3828-Y3831 VanDerWaalsContact O-N 3.12Å; T3828-Y3831 WeakPolarHBondContact OG1-CD2 3.38Å |
| 3829 | N | 50.5 | Low | 51.7 | Low | 90.75 Ų | 90.75 | 84.7 Ų | 84.7 | 49% | 0.485 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -35.9 | 3.8 | -174.2 | -74.3 | -7.6 | 0 | 0 | 0 | 115 | Y3831 | N3829-Y3831 VanDerWaalsContact C-N 3.29Å; N3829-Y3831 PolarHBondContact O-N 3.42Å |
| 3830 | H | 43.9 | Very low | 49.6 | Very low | 162.5 Ų | 162.5 | 90.4 Ų | 90.4 | 75% | 0.752 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 4.8 | -176.5 | -72.1 | 18 | 0 | 0 | 0 | 113.6 | T3828 H3832 | T3828-H3830 PolarHBondContact O-N 3.12Å; T3828-H3830 PolarHBondContact O-ND1 3.32Å; T3828-H3830 PolarHBondContact OG1-N 3.27Å; H3830-H3832 PolarHBondContact O-N 3.08Å |
| 3831 | Y | 42.3 | Very low | 47.6 | Very low | 93.75 Ų | 93.75 | 93.5 Ų | 93.5 | 37% | 0.368 | 47% | 0.472 | S | S | . | . | trans | -95.4 | 31 | -174.8 | -88.3 | -82 | 0 | 0 | 0 | 114.2 | Y3788 C3825 M3826 T3828 N3829 H3833 S3834 | Y3788-Y3831 HydrophobicContact CD1-CD1 4.26Å; Y3788-Y3831 HydrophobicContact CD1-CE1 4.04Å; Y3788-Y3831 HydrophobicContact CE1-CD1 4.06Å; Y3788-Y3831 AromaticContact CE1-CE1 3.51Å; Y3788-Y3831 HydrophobicContact CE1-CE1 3.51Å; Y3788-Y3831 HydrophobicContact CE1-CE2 4.29Å; Y3788-Y3831 AromaticContact CE1-CZ 3.63Å; C3825-Y3831 HydrophobicContact CB-CE1 3.74Å; C3825-Y3831 WeakPolarHBondContact O-CD2 3.25Å; C3825-Y3831 WeakPolarHBondContact O-CE2 3.29Å; M3826-Y3831 VanDerWaalsContact CG-OH 3.3Å; M3826-Y3831 WeakPolarHBondContact CG-OH 3.2Å; M3826-Y3831 PolarHBondContact N-OH 3.29Å; M3826-Y3831 HydrophobicContact SD-CE2 3.96Å; M3826-Y3831 PolarHBondContact SD-OH 3.22Å; T3828-Y3831 PolarHBondContact O-N 3.19Å; T3828-Y3831 VanDerWaalsContact O-N 3.12Å; T3828-Y3831 WeakPolarHBondContact OG1-CD2 3.38Å; N3829-Y3831 VanDerWaalsContact C-N 3.29Å; N3829-Y3831 PolarHBondContact O-N 3.42Å; Y3831-H3833 PolarHBondContact O-N 2.89Å; Y3831-H3833 VanDerWaalsContact O-N 3.13Å; Y3831-S3834 WeakPolarHBondContact CD1-O 3.5Å; Y3831-S3834 WeakPolarHBondContact CD1-OG 3.39Å; Y3831-S3834 WeakPolarHBondContact CE1-O 3.37Å; Y3831-S3834 WeakPolarHBondContact CE1-OG 3.22Å | ||
| 3832 | H | 39.6 | Very low | 45.8 | Very low | 119.5 Ų | 119.5 | 95.1 Ų | 95.1 | 55% | 0.553 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -87.8 | -12.1 | 175.1 | -84.8 | -62 | 0 | 0 | 0 | 115.1 | F3738 H3830 | F3738-H3832 AromaticContact CD2-NE2 3.79Å; F3738-H3832 AromaticContact CE2-CE1 3.96Å; H3830-H3832 PolarHBondContact O-N 3.08Å |
| 3833 | H | 35.8 | Very low | 44 | Very low | 183.75 Ų | 183.75 | 97.4 Ų | 97.4 | 85% | 0.851 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -137.4 | 0.5 | -170.7 | -73.3 | -47.4 | 0 | 0 | 0 | 119 | Y3831 Q3835 | Y3831-H3833 PolarHBondContact O-N 2.89Å; Y3831-H3833 VanDerWaalsContact O-N 3.13Å; H3833-Q3835 PolarHBondContact O-N 3.29Å |
| 3834 | S | 29.9 | Very low | 42.3 | Very low | 63 Ų | 63 | 101 Ų | 101 | 44% | 0.441 | 53% | 0.526 | S | S | . | . | trans | -112.4 | 99.2 | 179.9 | 52.1 | 0 | 0 | 0 | 0 | 113.2 | Y3831 H3836 | Y3831-S3834 WeakPolarHBondContact CD1-O 3.5Å; Y3831-S3834 WeakPolarHBondContact CD1-OG 3.39Å; Y3831-S3834 WeakPolarHBondContact CE1-O 3.37Å; Y3831-S3834 WeakPolarHBondContact CE1-OG 3.22Å; S3834-H3836 PolarHBondContact O-N 2.86Å | ||
| 3835 | Q | 31.4 | Very low | 40.8 | Very low | 174 Ų | 174 | 99.2 Ų | 99.2 | 81% | 0.813 | 51% | 0.51 | S | S | * | . | trans | -81 | 77.7 | 168.3 | -67.8 | 178.8 | -13.1 | 0 | 0 | 111.3 | P3789 H3833 S3837 | P3789-Q3835 VanDerWaalsContact CG-CD 3.48Å; H3833-Q3835 PolarHBondContact O-N 3.29Å; Q3835-S3837 VanDerWaalsContact C-N 3.3Å; Q3835-S3837 PolarHBondContact O-N 3.32Å | ||
| 3836 | H | 28.7 | Very low | 39.5 | Very low | 149.25 Ų | 149.25 | 99.5 Ų | 99.5 | 69% | 0.691 | 51% | 0.512 | S | S | * | . | trans | -104.2 | 102 | 169.1 | -79.7 | -55.1 | 0 | 0 | 0 | 110.8 | S3834 Y3838 | S3834-H3836 PolarHBondContact O-N 2.86Å; H3836-Y3838 HydrophobicContact CB-CE2 4.24Å; H3836-Y3838 WeakPolarHBondContact O-CD2 3.28Å; H3836-Y3838 PolarHBondContact O-N 3.28Å; H3836-Y3838 VanDerWaalsContact O-N 3.1Å | ||
| 3837 | S | 28.6 | Very low | 38.2 | Very low | 104.25 Ų | 104.25 | 101.1 Ų | 101.1 | 73% | 0.729 | 52% | 0.523 | S | S | * | . | trans | -58.9 | 91.6 | 158.5 | 54 | 0 | 0 | 0 | 0 | 112.1 | Q3835 N3839 | Q3835-S3837 VanDerWaalsContact C-N 3.3Å; Q3835-S3837 PolarHBondContact O-N 3.32Å; S3837-N3839 PolarHBondContact O-N 2.82Å | ||
| 3838 | Y | 31.8 | Very low | 37.1 | Very low | 124.75 Ų | 124.75 | 100.3 Ų | 100.3 | 49% | 0.489 | 52% | 0.519 | S | S | . | . | trans | -95.1 | 101 | 157.9 | -121.8 | -91.1 | 0 | 0 | 0 | 108.6 | K3791 Y3821 H3836 E3840 | K3791-Y3838 PolarHBondContact NZ-O 3.39Å; Y3821-Y3838 HydrophobicContact CD2-CD2 4.27Å; Y3821-Y3838 AromaticContact CD2-CE2 3.84Å; Y3821-Y3838 HydrophobicContact CD2-CE2 3.84Å; Y3821-Y3838 HydrophobicContact CE1-CD2 4.09Å; Y3821-Y3838 HydrophobicContact CE1-CE2 4.43Å; Y3821-Y3838 AromaticContact CE2-CD2 3.61Å; Y3821-Y3838 HydrophobicContact CE2-CD2 3.61Å; Y3821-Y3838 AromaticContact CE2-CE2 3.62Å; Y3821-Y3838 HydrophobicContact CE2-CE2 3.87Å; Y3821-Y3838 HydrophobicContact CG-CE2 4.33Å; Y3821-Y3838 AromaticContact CZ-CD2 3.5Å; Y3821-Y3838 VanDerWaalsContact CZ-CD2 3.5Å; Y3821-Y3838 AromaticContact CZ-CE2 3.94Å; H3836-Y3838 HydrophobicContact CB-CE2 4.24Å; H3836-Y3838 WeakPolarHBondContact O-CD2 3.28Å; H3836-Y3838 PolarHBondContact O-N 3.28Å; H3836-Y3838 VanDerWaalsContact O-N 3.1Å; Y3838-E3840 VanDerWaalsContact C-N 3.33Å; Y3838-E3840 HydrophobicContact CD1-CB 4.19Å; Y3838-E3840 HydrophobicContact CD1-CG 4.14Å; Y3838-E3840 HydrophobicContact CE1-CB 4.23Å; Y3838-E3840 HydrophobicContact CE1-CG 4.02Å; Y3838-E3840 WeakPolarHBondContact CE1-OE1 3.36Å; Y3838-E3840 PolarHBondContact O-N 2.99Å; Y3838-E3840 PolarHBondContact OH-OE1 3.11Å | ||
| 3839 | N | 28.3 | Very low | 36.3 | Very low | 148.75 Ų | 148.75 | 99.9 Ų | 99.9 | 80% | 0.795 | 52% | 0.515 | S | S | * | . | trans | -90.7 | 82 | 169.3 | -92.3 | -6.9 | 0 | 0 | 0 | 108.4 | S3837 | S3837-N3839 PolarHBondContact O-N 2.82Š| ||
| 3840 | E | 30.7 | Very low | 35.7 | Very low | 120.75 Ų | 120.75 | 100.7 Ų | 100.7 | 56% | 0.564 | 52% | 0.519 | S | S | * | . | trans | -114.7 | 126.8 | 158.7 | -86.8 | -174.4 | 172.8 | 0 | 0 | 109.5 | K3791 Y3838 S3842 | K3791-E3840 WeakPolarHBondContact CE-O 3.22Å; K3791-E3840 PolarHBondContact NZ-O 2.97Å; Y3838-E3840 VanDerWaalsContact C-N 3.33Å; Y3838-E3840 HydrophobicContact CD1-CB 4.19Å; Y3838-E3840 HydrophobicContact CD1-CG 4.14Å; Y3838-E3840 HydrophobicContact CE1-CB 4.23Å; Y3838-E3840 HydrophobicContact CE1-CG 4.02Å; Y3838-E3840 WeakPolarHBondContact CE1-OE1 3.36Å; Y3838-E3840 PolarHBondContact O-N 2.99Å; Y3838-E3840 PolarHBondContact OH-OE1 3.11Å; E3840-S3842 PolarHBondContact O-N 3.48Å | ||
| 3841 | N | 31.1 | Very low | 35.4 | Very low | 145.75 Ų | 145.75 | 94.6 Ų | 94.6 | 78% | 0.779 | 50% | 0.495 | S | S | * | . | trans | -50.2 | 120.2 | 176.5 | -66.8 | -25.3 | 0 | 0 | 0 | 112.4 | V3843 | N3841-V3843 PolarHBondContact O-N 3.19Å; N3841-V3843 VanDerWaalsContact O-N 3.12Å | ||
| 3842 | S | 35.6 | Very low | 35.2 | Very low | 101 Ų | 101 | 93.8 Ų | 93.8 | 71% | 0.706 | 49% | 0.493 | S | S | * | . | trans | 27.9 | 85.9 | 156.8 | 52.6 | 0 | 0 | 0 | 0 | 114.2 | E3840 D3844 | E3840-S3842 PolarHBondContact O-N 3.48Å; S3842-D3844 PolarHBondContact O-N 3.04Å | ||
| 3843 | V | 37.3 | Very low | 35.2 | Very low | 49 Ų | 49 | 92.4 Ų | 92.4 | 30% | 0.297 | 49% | 0.493 | S | S | . | . | trans | -75.3 | 110.8 | 161.4 | -179.7 | 0 | 0 | 0 | 0 | 107 | K3791 I3794 T3795 N3798 N3841 I3845 | K3791-V3843 HydrophobicContact CG-CG2 4.28Å; I3794-V3843 HydrophobicContact CG2-CG1 3.91Å; T3795-V3843 HydrophobicContact CG2-CG2 4.27Å; N3798-V3843 WeakPolarHBondContact ND2-CG1 3.38Å; N3841-V3843 PolarHBondContact O-N 3.19Å; N3841-V3843 VanDerWaalsContact O-N 3.12Å; V3843-I3845 PolarHBondContact O-N 2.99Å; V3843-I3845 VanDerWaalsContact O-N 3.14Å | ||
| 3844 | D | 39.7 | Very low | 35.4 | Very low | 85 Ų | 85 | 85.1 Ų | 85.1 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | trans | -76.6 | 100.6 | 179.2 | -135.6 | -10.9 | 0 | 0 | 0 | 108.4 | N3798 S3842 T3846 T3847 L3848 | N3798-D3844 PolarHBondContact ND2-O 3.22Å; S3842-D3844 PolarHBondContact O-N 3.04Å; D3844-T3846 VanDerWaalsContact CG-OG1 3.23Å; D3844-T3846 PolarHBondContact O-N 2.94Å; D3844-T3846 VanDerWaalsContact O-N 3.12Å; D3844-T3846 WeakPolarHBondContact OD1-CB 3.47Å; D3844-T3846 VanDerWaalsContact OD1-CG2 3.25Å; D3844-T3846 WeakPolarHBondContact OD1-CG2 3.26Å; D3844-T3846 PolarHBondContact OD1-N 3.45Å; D3844-T3846 PolarHBondContact OD1-OG1 3.38Å; D3844-T3846 PolarHBondContact OD2-OG1 3.45Å; D3844-T3847 HydrophobicContact CB-CG2 4.26Å; D3844-T3847 PolarHBondContact O-N 3.19Å; D3844-T3847 PolarHBondContact O-OG1 3.06Å; D3844-L3848 PolarHBondContact O-N 2.91Å | ||
| 3845 | I | 38.8 | Very low | 36 | Very low | 30.75 Ų | 30.75 | 86.7 Ų | 86.7 | 16% | 0.158 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -17.4 | -179 | -64.1 | 159.9 | 0 | 0 | 0 | 110.8 | I3794 V3843 T3847 L3848 I3849 K3949 P3952 L3953 | I3794-I3845 HydrophobicContact CG2-CG1 4.48Å; V3843-I3845 PolarHBondContact O-N 2.99Å; V3843-I3845 VanDerWaalsContact O-N 3.14Å; I3845-T3847 VanDerWaalsContact C-N 3.27Å; I3845-T3847 PolarHBondContact O-N 3.38Å; I3845-T3847 VanDerWaalsContact O-N 3.15Å; I3845-L3848 HydrophobicContact CG2-CB 4.23Å; I3845-L3848 HydrophobicContact CG2-CD2 4.48Å; I3845-L3848 CarbonylContact O-C 3.53Å; I3845-L3848 WeakPolarHBondContact O-CA 3.47Å; I3845-L3848 VanDerWaalsContact O-CB 3.3Å; I3845-L3848 WeakPolarHBondContact O-CB 3.32Å; I3845-L3848 PolarHBondContact O-N 3.01Å; I3845-I3849 HydrophobicContact CG2-CD1 4.01Å; I3845-I3849 HydrophobicContact CG2-CG1 4.26Å; I3845-I3849 WeakPolarHBondContact O-CB 3.19Å; I3845-I3849 VanDerWaalsContact O-CG1 3.23Å; I3845-I3849 WeakPolarHBondContact O-CG1 3.2Å; I3845-I3849 PolarHBondContact O-N 3.31Å; I3845-K3949 HydrophobicContact CD1-CB 3.55Å; I3845-K3949 VanDerWaalsContact CD1-CB 3.46Å; I3845-K3949 HydrophobicContact CD1-CD 3.85Å; I3845-K3949 HydrophobicContact CD1-CG 3.6Å; I3845-P3952 HydrophobicContact CG2-CB 4.42Å; I3845-L3953 HydrophobicContact CG2-CD1 4.18Å; I3845-L3953 HydrophobicContact CG2-CG 4.37Å |
| 3846 | T | 38.5 | Very low | 36.7 | Very low | 41.75 Ų | 41.75 | 82.9 Ų | 82.9 | 26% | 0.256 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.1 | -34.6 | 176.5 | 50.3 | 0 | 0 | 0 | 0 | 113.6 | D3844 L3848 I3849 N3850 | D3844-T3846 VanDerWaalsContact CG-OG1 3.23Å; D3844-T3846 PolarHBondContact O-N 2.94Å; D3844-T3846 VanDerWaalsContact O-N 3.12Å; D3844-T3846 WeakPolarHBondContact OD1-CB 3.47Å; D3844-T3846 VanDerWaalsContact OD1-CG2 3.25Å; D3844-T3846 WeakPolarHBondContact OD1-CG2 3.26Å; D3844-T3846 PolarHBondContact OD1-N 3.45Å; D3844-T3846 PolarHBondContact OD1-OG1 3.38Å; D3844-T3846 PolarHBondContact OD2-OG1 3.45Å; T3846-L3848 VanDerWaalsContact C-N 3.27Å; T3846-L3848 PolarHBondContact O-N 3.02Å; T3846-I3849 HydrophobicContact CG2-CD1 4.07Å; T3846-I3849 PolarHBondContact O-N 3Å; T3846-N3850 VanDerWaalsContact O-CB 3.27Å; T3846-N3850 WeakPolarHBondContact O-CB 3.47Å; T3846-N3850 PolarHBondContact O-N 3.1Å; T3846-N3850 VanDerWaalsContact O-N 3.15Å; T3846-N3850 PolarHBondContact O-ND2 3.48Å |
| 3847 | T | 38.5 | Very low | 37.6 | Very low | 66.5 Ų | 66.5 | 76.2 Ų | 76.2 | 41% | 0.408 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.4 | -26.9 | 174.3 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | D3844 I3845 I3849 N3850 S3851 | D3844-T3847 HydrophobicContact CB-CG2 4.26Å; D3844-T3847 PolarHBondContact O-N 3.19Å; D3844-T3847 PolarHBondContact O-OG1 3.06Å; I3845-T3847 VanDerWaalsContact C-N 3.27Å; I3845-T3847 PolarHBondContact O-N 3.38Å; I3845-T3847 VanDerWaalsContact O-N 3.15Å; T3847-I3849 VanDerWaalsContact C-N 3.29Å; T3847-I3849 PolarHBondContact O-N 3.37Å; T3847-N3850 PolarHBondContact O-N 3.44Å; T3847-S3851 WeakPolarHBondContact O-CB 3.36Å; T3847-S3851 PolarHBondContact O-N 3.2Å; T3847-S3851 PolarHBondContact O-OG 3.39Å |
| 3848 | L | 40.5 | Very low | 38.9 | Very low | 11.25 Ų | 11.25 | 71.6 Ų | 71.6 | 6% | 0.059 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.9 | -40.8 | 176 | -140.3 | 120.5 | 0 | 0 | 0 | 110.9 | I3794 L3797 N3798 D3844 I3845 T3846 N3850 S3851 F3852 L3857 L3953 | I3794-L3848 HydrophobicContact CG2-CD1 3.53Å; L3797-L3848 HydrophobicContact CB-CD1 3.92Å; N3798-L3848 HydrophobicContact CB-CD1 3.79Å; N3798-L3848 WeakPolarHBondContact OD1-CD1 3.31Å; N3798-L3848 WeakPolarHBondContact OD1-CD2 3.5Å; N3798-L3848 VanDerWaalsContact OD1-CG 3.27Å; N3798-L3848 WeakPolarHBondContact OD1-CG 3.32Å; D3844-L3848 PolarHBondContact O-N 2.91Å; I3845-L3848 HydrophobicContact CG2-CB 4.23Å; I3845-L3848 HydrophobicContact CG2-CD2 4.48Å; I3845-L3848 CarbonylContact O-C 3.53Å; I3845-L3848 WeakPolarHBondContact O-CA 3.47Å; I3845-L3848 VanDerWaalsContact O-CB 3.3Å; I3845-L3848 WeakPolarHBondContact O-CB 3.32Å; I3845-L3848 PolarHBondContact O-N 3.01Å; T3846-L3848 VanDerWaalsContact C-N 3.27Å; T3846-L3848 PolarHBondContact O-N 3.02Å; L3848-N3850 PolarHBondContact O-N 2.96Å; L3848-S3851 PolarHBondContact O-N 3.14Å; L3848-S3851 PolarHBondContact O-OG 3.15Å; L3848-S3851 VanDerWaalsContact O-OG 3.13Å; L3848-F3852 HydrophobicContact CB-CE2 3.79Å; L3848-F3852 HydrophobicContact CB-CZ 4.45Å; L3848-F3852 HydrophobicContact CD2-CD2 3.61Å; L3848-F3852 HydrophobicContact CD2-CE2 3.54Å; L3848-F3852 VanDerWaalsContact CD2-CE2 3.47Å; L3848-F3852 HydrophobicContact CD2-CG 4.43Å; L3848-F3852 HydrophobicContact CD2-CZ 3.86Å; L3848-F3852 HydrophobicContact CG-CD2 4.31Å; L3848-F3852 HydrophobicContact CG-CE1 4.44Å; L3848-F3852 HydrophobicContact CG-CE2 3.81Å; L3848-F3852 HydrophobicContact CG-CZ 3.79Å; L3848-F3852 WeakPolarHBondContact O-CB 3.44Å; L3848-F3852 WeakPolarHBondContact O-CD2 3.31Å; L3848-F3852 WeakPolarHBondContact O-CE2 3.49Å; L3848-F3852 WeakPolarHBondContact O-CZ 3.15Å; L3848-F3852 PolarHBondContact O-N 3.26Å; L3848-L3857 HydrophobicContact CD2-CD1 4.39Å; L3848-L3953 HydrophobicContact CD2-CD1 4.28Å; L3848-L3953 HydrophobicContact CD2-CD2 4Å |
| 3849 | I | 40.4 | Very low | 40 | Very low | 31.5 Ų | 31.5 | 66.1 Ų | 66.1 | 16% | 0.162 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.1 | -34.7 | -174.4 | -60.6 | 170.5 | 0 | 0 | 0 | 112.5 | I3845 T3846 T3847 S3851 P3952 M4033 | I3845-I3849 HydrophobicContact CG2-CD1 4.01Å; I3845-I3849 HydrophobicContact CG2-CG1 4.26Å; I3845-I3849 WeakPolarHBondContact O-CB 3.19Å; I3845-I3849 VanDerWaalsContact O-CG1 3.23Å; I3845-I3849 WeakPolarHBondContact O-CG1 3.2Å; I3845-I3849 PolarHBondContact O-N 3.31Å; T3846-I3849 HydrophobicContact CG2-CD1 4.07Å; T3846-I3849 PolarHBondContact O-N 3Å; T3847-I3849 VanDerWaalsContact C-N 3.29Å; T3847-I3849 PolarHBondContact O-N 3.37Å; I3849-S3851 PolarHBondContact O-N 3.24Å; I3849-P3952 HydrophobicContact CD1-CB 3.92Å; I3849-P3952 HydrophobicContact CG1-CB 4.49Å; I3849-M4033 HydrophobicContact CD1-CE 4.11Å |
| 3850 | N | 38.6 | Very low | 41.4 | Very low | 107.25 Ų | 107.25 | 59.2 Ų | 59.2 | 57% | 0.574 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -8.9 | -169.7 | -71.3 | -5.5 | 0 | 0 | 0 | 115.2 | T3846 T3847 L3848 V3983 Y3990 | T3846-N3850 VanDerWaalsContact O-CB 3.27Å; T3846-N3850 WeakPolarHBondContact O-CB 3.47Å; T3846-N3850 PolarHBondContact O-N 3.1Å; T3846-N3850 VanDerWaalsContact O-N 3.15Å; T3846-N3850 PolarHBondContact O-ND2 3.48Å; T3847-N3850 PolarHBondContact O-N 3.44Å; L3848-N3850 PolarHBondContact O-N 2.96Å; N3850-V3983 HydrophobicContact CB-CG1 4.32Å; N3850-V3983 WeakPolarHBondContact O-CB 3.49Å; N3850-V3983 WeakPolarHBondContact O-CG1 3.44Å; N3850-V3983 WeakPolarHBondContact O-CG2 3.32Å; N3850-Y3990 HydrophobicContact CB-CE1 4.37Å; N3850-Y3990 WeakPolarHBondContact ND2-CE1 3.3Å |
| 3851 | S | 37.1 | Very low | 42.8 | Very low | 34.25 Ų | 34.25 | 53.9 Ų | 53.9 | 24% | 0.24 | 30% | 0.297 | C | S | . | . | trans | -115.7 | 32.9 | -175.1 | 64.7 | 0 | 0 | 0 | 0 | 114.2 | H3801 T3847 L3848 I3849 T3853 I3854 | H3801-S3851 PolarHBondContact CD2-OG 3.03Å; H3801-S3851 VanDerWaalsContact CD2-OG 3.29Å; H3801-S3851 VanDerWaalsContact CE1-C 3.45Å; H3801-S3851 WeakPolarHBondContact CE1-CB 2.87Å; H3801-S3851 PolarHBondContact CE1-O 3.41Å; H3801-S3851 PolarHBondContact CE1-OG 3.26Å; H3801-S3851 VanDerWaalsContact CE1-OG 3.27Å; H3801-S3851 WeakPolarHBondContact ND1-CB 3.41Å; H3801-S3851 PolarHBondContact ND1-OG 2.87Å; H3801-S3851 VanDerWaalsContact ND1-OG 3.17Å; H3801-S3851 WeakPolarHBondContact NE2-CB 3.35Å; H3801-S3851 PolarHBondContact NE2-O 2.88Å; H3801-S3851 PolarHBondContact NE2-OG 3.07Å; T3847-S3851 WeakPolarHBondContact O-CB 3.36Å; T3847-S3851 PolarHBondContact O-N 3.2Å; T3847-S3851 PolarHBondContact O-OG 3.39Å; L3848-S3851 PolarHBondContact O-N 3.14Å; L3848-S3851 PolarHBondContact O-OG 3.15Å; L3848-S3851 VanDerWaalsContact O-OG 3.13Å; I3849-S3851 PolarHBondContact O-N 3.24Å; S3851-T3853 PolarHBondContact O-N 3.27Å; S3851-T3853 VanDerWaalsContact O-N 3.15Å; S3851-I3854 VanDerWaalsContact O-CD1 3.31Å; S3851-I3854 WeakPolarHBondContact O-CD1 3.45Å | ||
| 3852 | F | 37.4 | Very low | 44.1 | Very low | 77 Ų | 77 | 47.5 Ų | 47.5 | 34% | 0.338 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -75.1 | 90.4 | 178.2 | -77 | -89.1 | 0 | 0 | 0 | 113.4 | H3801 L3848 I3854 R3856 L3857 L3953 H3956 | H3801-F3852 HydrophobicContact CB-CE2 4.32Å; H3801-F3852 AromaticContact CE1-CD1 3.44Å; H3801-F3852 VanDerWaalsContact CE1-CD1 3.44Å; H3801-F3852 WeakPolarHBondContact CE1-CD1 3.42Å; H3801-F3852 AromaticContact CE1-CE1 3.56Å; H3801-F3852 AromaticContact ND1-CD1 3.73Å; H3801-F3852 AromaticContact ND1-CE1 3.6Å; L3848-F3852 HydrophobicContact CB-CE2 3.79Å; L3848-F3852 HydrophobicContact CB-CZ 4.45Å; L3848-F3852 HydrophobicContact CD2-CD2 3.61Å; L3848-F3852 HydrophobicContact CD2-CE2 3.54Å; L3848-F3852 VanDerWaalsContact CD2-CE2 3.47Å; L3848-F3852 HydrophobicContact CD2-CG 4.43Å; L3848-F3852 HydrophobicContact CD2-CZ 3.86Å; L3848-F3852 HydrophobicContact CG-CD2 4.31Å; L3848-F3852 HydrophobicContact CG-CE1 4.44Å; L3848-F3852 HydrophobicContact CG-CE2 3.81Å; L3848-F3852 HydrophobicContact CG-CZ 3.79Å; L3848-F3852 WeakPolarHBondContact O-CB 3.44Å; L3848-F3852 WeakPolarHBondContact O-CD2 3.31Å; L3848-F3852 WeakPolarHBondContact O-CE2 3.49Å; L3848-F3852 WeakPolarHBondContact O-CZ 3.15Å; L3848-F3852 PolarHBondContact O-N 3.26Å; F3852-I3854 HydrophobicContact CB-CG1 3.89Å; F3852-I3854 PolarHBondContact O-N 2.98Å; F3852-R3856 WeakPolarHBondContact CD1-O 3.12Å; F3852-R3856 VanDerWaalsContact CE1-O 3.32Å; F3852-R3856 WeakPolarHBondContact CE1-O 3.25Å; F3852-L3857 HydrophobicContact CD1-CB 4.31Å; F3852-L3857 HydrophobicContact CD1-CD1 3.48Å; F3852-L3857 HydrophobicContact CD1-CD2 4.11Å; F3852-L3857 HydrophobicContact CD1-CG 4.25Å; F3852-L3857 HydrophobicContact CE1-CB 4.22Å; F3852-L3857 HydrophobicContact CE1-CD1 3.5Å; F3852-L3857 HydrophobicContact CE1-CD2 4.02Å; F3852-L3857 HydrophobicContact CE1-CG 3.98Å; F3852-L3857 HydrophobicContact CZ-CD1 4.5Å; F3852-L3953 HydrophobicContact CE1-CD2 4.27Å; F3852-L3953 HydrophobicContact CZ-CD2 3.89Å; F3852-H3956 AromaticContact CD1-NE2 3.97Å; F3852-H3956 AromaticContact CD2-CE1 3.31Å; F3852-H3956 WeakPolarHBondContact CD2-CE1 3.46Å; F3852-H3956 AromaticContact CD2-NE2 3.45Å; F3852-H3956 WeakPolarHBondContact CD2-NE2 3.19Å; F3852-H3956 AromaticContact CE1-NE2 3.98Å; F3852-H3956 AromaticContact CE2-CE1 3.22Å; F3852-H3956 WeakPolarHBondContact CE2-CE1 3.46Å; F3852-H3956 AromaticContact CE2-NE2 3.39Å; F3852-H3956 WeakPolarHBondContact CE2-NE2 3.44Å; F3852-H3956 AromaticContact CG-CE1 3.99Å; F3852-H3956 AromaticContact CG-NE2 3.69Å; F3852-H3956 AromaticContact CZ-CE1 3.91Å; F3852-H3956 AromaticContact CZ-NE2 3.64Å |
| 3853 | T | 40.3 | Very low | 45.2 | Very low | 90.75 Ų | 90.75 | 42.7 Ų | 42.7 | 56% | 0.557 | 23% | 0.229 | S | C | * | . | trans | -88.1 | 96.7 | 159.3 | 49.8 | 0 | 0 | 0 | 0 | 109.1 | S3851 D3855 R3856 | S3851-T3853 PolarHBondContact O-N 3.27Å; S3851-T3853 VanDerWaalsContact O-N 3.15Å; T3853-D3855 VanDerWaalsContact C-N 3.3Å; T3853-D3855 PolarHBondContact O-N 3.08Å; T3853-R3856 WeakPolarHBondContact O-CB 3.27Å; T3853-R3856 PolarHBondContact O-N 3.08Å | ||
| 3854 | I | 40.5 | Very low | 46.3 | Very low | 31 Ų | 31 | 41.2 Ų | 41.2 | 16% | 0.159 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -71.5 | -23.5 | -159.5 | -62.5 | 151.8 | 0 | 0 | 0 | 113.6 | S3851 F3852 R3856 L3857 D3858 H3956 H3960 | S3851-I3854 VanDerWaalsContact O-CD1 3.31Å; S3851-I3854 WeakPolarHBondContact O-CD1 3.45Å; F3852-I3854 HydrophobicContact CB-CG1 3.89Å; F3852-I3854 PolarHBondContact O-N 2.98Å; I3854-R3856 PolarHBondContact O-N 3.09Å; I3854-L3857 HydrophobicContact CG2-CD1 4.44Å; I3854-L3857 PolarHBondContact O-N 2.97Å; I3854-D3858 WeakPolarHBondContact CG2-OD1 3.41Å; I3854-D3858 PolarHBondContact O-N 2.86Å; I3854-D3858 VanDerWaalsContact O-N 3.12Å; I3854-H3956 HydrophobicContact CD1-CB 4.38Å; I3854-H3956 WeakPolarHBondContact CD1-CD2 3.43Å; I3854-H3956 WeakPolarHBondContact CD1-NE2 3.3Å; I3854-H3960 WeakPolarHBondContact CD1-CE1 3.27Å; I3854-H3960 VanDerWaalsContact CD1-NE2 3.3Å; I3854-H3960 WeakPolarHBondContact CD1-NE2 3.45Å; I3854-H3960 WeakPolarHBondContact CG1-NE2 3.36Å; I3854-H3960 HydrophobicContact CG2-CB 3.8Å; I3854-H3960 WeakPolarHBondContact CG2-CD2 3.37Å; I3854-H3960 VanDerWaalsContact CG2-NE2 3.34Å; I3854-H3960 WeakPolarHBondContact CG2-NE2 3.32Å |
| 3855 | D | 42.4 | Very low | 47.2 | Very low | 95.25 Ų | 95.25 | 37.7 Ų | 37.7 | 51% | 0.509 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -60.9 | -12.7 | -175.3 | -62.4 | -19.6 | 0 | 0 | 0 | 115.3 | T3853 D3858 L3896 I3897 H3960 | T3853-D3855 VanDerWaalsContact C-N 3.3Å; T3853-D3855 PolarHBondContact O-N 3.08Å; D3855-D3858 WeakPolarHBondContact CA-OD2 3.19Å; D3855-L3896 HydrophobicContact CB-CD2 4.07Å; D3855-I3897 HydrophobicContact CB-CD1 4.35Å; D3855-H3960 IonicContact OD1-CE1 2.86Å; D3855-H3960 IonicContact OD1-ND1 2.76Å |
| 3856 | R | 45.2 | Very low | 48.2 | Very low | 95.25 Ų | 95.25 | 36.9 Ų | 36.9 | 36% | 0.359 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -114.9 | -4.9 | -176.3 | -69.5 | -176.2 | 174.4 | -175.9 | -6 | 115.5 | R3780 H3804 D3805 F3852 T3853 I3854 D3858 E3894 | R3780-R3856 PolarHBondContact NH2-O 2.56Å; H3804-R3856 VanDerWaalsContact CE1-CD 3.46Å; H3804-R3856 WeakPolarHBondContact CE1-CD 3.24Å; H3804-R3856 WeakPolarHBondContact ND1-CD 3.33Å; H3804-R3856 PolarHBondContact O-NH1 2.96Å; H3804-R3856 PolarHBondContact O-NH2 3.24Å; D3805-R3856 IonicContact OD1-NH1 2.69Å; D3805-R3856 PolarHBondContact OD1-NH1 3.28Å; F3852-R3856 WeakPolarHBondContact CD1-O 3.12Å; F3852-R3856 VanDerWaalsContact CE1-O 3.32Å; F3852-R3856 WeakPolarHBondContact CE1-O 3.25Å; T3853-R3856 WeakPolarHBondContact O-CB 3.27Å; T3853-R3856 PolarHBondContact O-N 3.08Å; I3854-R3856 PolarHBondContact O-N 3.09Å; R3856-D3858 VanDerWaalsContact C-N 3.3Å; R3856-D3858 PolarHBondContact O-N 2.94Å; R3856-E3894 IonicContact CZ-OE2 2.63Å; R3856-E3894 IonicContact NH1-OE1 2.68Å; R3856-E3894 IonicContact NH1-OE2 3.74Å; R3856-E3894 VanDerWaalsContact NH2-CD 3.26Å; R3856-E3894 IonicContact NH2-OE1 3.65Å; R3856-E3894 IonicContact NH2-OE2 3.88Å; R3856-E3894 PolarHBondContact NH2-OE2 2.96Å |
| 3857 | L | 48.5 | Very low | 49 | Very low | 8.5 Ų | 8.5 | 36 Ų | 36 | 5% | 0.045 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 1.9 | 176.7 | -89.9 | 153.7 | 0 | 0 | 0 | 111.8 | L3797 F3800 L3848 F3852 I3854 S3859 L3861 L3953 H3956 F3957 | L3797-L3857 HydrophobicContact CD2-CD2 3.97Å; F3800-L3857 HydrophobicContact CD1-CD2 3.85Å; F3800-L3857 HydrophobicContact CD1-CG 4.39Å; F3800-L3857 HydrophobicContact CE1-CD2 4.27Å; F3800-L3857 HydrophobicContact CE1-CG 4.42Å; L3848-L3857 HydrophobicContact CD2-CD1 4.39Å; F3852-L3857 HydrophobicContact CD1-CB 4.31Å; F3852-L3857 HydrophobicContact CD1-CD1 3.48Å; F3852-L3857 HydrophobicContact CD1-CD2 4.11Å; F3852-L3857 HydrophobicContact CD1-CG 4.25Å; F3852-L3857 HydrophobicContact CE1-CB 4.22Å; F3852-L3857 HydrophobicContact CE1-CD1 3.5Å; F3852-L3857 HydrophobicContact CE1-CD2 4.02Å; F3852-L3857 HydrophobicContact CE1-CG 3.98Å; F3852-L3857 HydrophobicContact CZ-CD1 4.5Å; I3854-L3857 HydrophobicContact CG2-CD1 4.44Å; I3854-L3857 PolarHBondContact O-N 2.97Å; L3857-S3859 PolarHBondContact O-N 3.15Å; L3857-L3861 HydrophobicContact CB-CD1 4.38Å; L3857-L3861 HydrophobicContact CD2-CD1 4.17Å; L3857-L3861 WeakPolarHBondContact O-CD1 3.38Å; L3857-L3861 WeakPolarHBondContact O-CG 3.36Å; L3857-L3861 PolarHBondContact O-N 3.08Å; L3857-L3953 HydrophobicContact CD2-CD2 3.79Å; L3857-H3956 HydrophobicContact CD1-CB 4.34Å; L3857-F3957 HydrophobicContact CB-CD2 3.78Å; L3857-F3957 HydrophobicContact CB-CE2 3.52Å; L3857-F3957 HydrophobicContact CB-CZ 4.24Å; L3857-F3957 HydrophobicContact CD1-CB 4.36Å; L3857-F3957 HydrophobicContact CD1-CD2 4.01Å; L3857-F3957 HydrophobicContact CD1-CG 4.44Å; L3857-F3957 HydrophobicContact CD2-CD2 4.46Å; L3857-F3957 HydrophobicContact CG-CD2 4.31Å; L3857-F3957 WeakPolarHBondContact O-CE2 3.46Å; L3857-F3957 WeakPolarHBondContact O-CZ 3.28Å |
| 3858 | D | 54.8 | Low | 49.7 | Very low | 8.5 Ų | 8.5 | 35.7 Ų | 35.7 | 5% | 0.045 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.8 | -47.4 | -167.1 | -77.2 | -10.7 | 0 | 0 | 0 | 114.1 | R3780 L3797 I3854 D3855 R3856 S3860 L3861 I3862 I3897 F3957 | R3780-D3858 IonicContact CZ-OD1 3.35Å; R3780-D3858 IonicContact CZ-OD2 3.25Å; R3780-D3858 IonicContact NE-OD1 2.85Å; R3780-D3858 IonicContact NE-OD2 2.74Å; R3780-D3858 PolarHBondContact NE-OD2 3.34Å; R3780-D3858 IonicContact NH2-OD1 3.71Å; R3780-D3858 PolarHBondContact NH2-OD1 3.21Å; R3780-D3858 IonicContact NH2-OD2 3.62Å; R3780-D3858 PolarHBondContact NH2-OD2 3.46Å; L3797-D3858 HydrophobicContact CD2-CB 4.21Å; I3854-D3858 WeakPolarHBondContact CG2-OD1 3.41Å; I3854-D3858 PolarHBondContact O-N 2.86Å; I3854-D3858 VanDerWaalsContact O-N 3.12Å; D3855-D3858 WeakPolarHBondContact CA-OD2 3.19Å; R3856-D3858 VanDerWaalsContact C-N 3.3Å; R3856-D3858 PolarHBondContact O-N 2.94Å; D3858-S3860 WeakPolarHBondContact CB-OG 3.36Å; D3858-S3860 PolarHBondContact O-N 2.96Å; D3858-L3861 WeakPolarHBondContact O-CB 3.34Å; D3858-L3861 PolarHBondContact O-N 3.08Å; D3858-I3862 WeakPolarHBondContact O-CB 3.36Å; D3858-I3862 WeakPolarHBondContact O-CD1 3.45Å; D3858-I3862 WeakPolarHBondContact O-CG1 3.24Å; D3858-I3862 PolarHBondContact O-N 2.99Å; D3858-I3897 HydrophobicContact CB-CD1 4.03Å; D3858-I3897 HydrophobicContact CB-CG1 4.45Å; D3858-I3897 WeakPolarHBondContact OD2-CD1 3.04Å; D3858-F3957 HydrophobicContact CB-CD2 4.16Å; D3858-F3957 HydrophobicContact CB-CE2 3.72Å; D3858-F3957 VanDerWaalsContact OD1-CD2 3.3Å; D3858-F3957 WeakPolarHBondContact OD1-CD2 3.3Å |
| 3859 | S | 56.3 | Low | 49.9 | Very low | 8.25 Ų | 8.25 | 41.5 Ų | 41.5 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -75 | -29 | -172.3 | 32.4 | 0 | 0 | 0 | 0 | 114 | L3857 L3861 I3862 N3863 C3890 N3891 L3896 | L3857-S3859 PolarHBondContact O-N 3.15Å; S3859-L3861 VanDerWaalsContact C-N 3.32Å; S3859-I3862 PolarHBondContact O-N 3.23Å; S3859-N3863 WeakPolarHBondContact O-CB 3.21Å; S3859-N3863 PolarHBondContact O-N 3.2Å; S3859-N3863 VanDerWaalsContact O-N 3.17Å; S3859-C3890 WeakPolarHBondContact OG-CB 3.42Å; S3859-N3891 VanDerWaalsContact CB-ND2 3.26Å; S3859-N3891 WeakPolarHBondContact CB-ND2 3.38Å; S3859-N3891 WeakPolarHBondContact CB-OD1 3.35Å; S3859-N3891 PolarHBondContact N-OD1 3.27Å; S3859-N3891 PolarHBondContact OG-ND2 2.98Å; S3859-N3891 PolarHBondContact OG-OD1 3.2Å; S3859-L3896 WeakPolarHBondContact OG-CD2 3.41Å |
| 3860 | S | 57.7 | Low | 50 | Low | 3.25 Ų | 3.25 | 42.6 Ų | 42.6 | 2% | 0.023 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.4 | -36 | 173.3 | -5.4 | 0 | 0 | 0 | 0 | 111.8 | D3858 N3863 C3864 N3891 | D3858-S3860 WeakPolarHBondContact CB-OG 3.36Å; D3858-S3860 PolarHBondContact O-N 2.96Å; S3860-N3863 PolarHBondContact O-N 3.18Å; S3860-C3864 WeakPolarHBondContact O-CB 3.48Å; S3860-C3864 PolarHBondContact O-N 3.28Å; S3860-C3864 PolarHBondContact O-SG 3.15Å; S3860-N3891 PolarHBondContact N-ND2 3.23Å; S3860-N3891 VanDerWaalsContact N-ND2 3.12Å; S3860-N3891 PolarHBondContact N-OD1 2.95Å; S3860-N3891 PolarHBondContact OG-ND2 3.4Å; S3860-N3891 PolarHBondContact OG-OD1 3.12Å |
| 3861 | L | 58.8 | Low | 50.3 | Low | 10.25 Ų | 10.25 | 39.8 Ų | 39.8 | 5% | 0.054 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.5 | -47.3 | 173.5 | -99.2 | 163.2 | 0 | 0 | 0 | 111.7 | L3797 L3857 D3858 S3859 N3863 C3864 F3865 L3953 | L3797-L3861 HydrophobicContact CD1-CB 4.47Å; L3797-L3861 HydrophobicContact CD1-CD1 4.05Å; L3797-L3861 HydrophobicContact CD1-CD2 3.7Å; L3797-L3861 VanDerWaalsContact CD1-CD2 3.44Å; L3797-L3861 HydrophobicContact CD1-CG 3.83Å; L3797-L3861 VanDerWaalsContact CD1-CG 3.47Å; L3797-L3861 HydrophobicContact CD2-CD1 4.07Å; L3797-L3861 HydrophobicContact CD2-CD2 4.12Å; L3797-L3861 HydrophobicContact CD2-CG 4.22Å; L3797-L3861 HydrophobicContact CG-CD2 4.42Å; L3857-L3861 HydrophobicContact CB-CD1 4.38Å; L3857-L3861 HydrophobicContact CD2-CD1 4.17Å; L3857-L3861 WeakPolarHBondContact O-CD1 3.38Å; L3857-L3861 WeakPolarHBondContact O-CG 3.36Å; L3857-L3861 PolarHBondContact O-N 3.08Å; D3858-L3861 WeakPolarHBondContact O-CB 3.34Å; D3858-L3861 PolarHBondContact O-N 3.08Å; S3859-L3861 VanDerWaalsContact C-N 3.32Å; L3861-N3863 VanDerWaalsContact C-N 3.29Å; L3861-N3863 PolarHBondContact O-N 3.1Å; L3861-C3864 WeakPolarHBondContact O-CB 3.39Å; L3861-C3864 PolarHBondContact O-N 3.03Å; L3861-C3864 VanDerWaalsContact O-N 3.15Å; L3861-F3865 HydrophobicContact CB-CE2 4.2Å; L3861-F3865 HydrophobicContact CD2-CD2 4.17Å; L3861-F3865 HydrophobicContact CD2-CE1 4.27Å; L3861-F3865 HydrophobicContact CD2-CE2 3.79Å; L3861-F3865 VanDerWaalsContact CD2-CE2 3.46Å; L3861-F3865 HydrophobicContact CD2-CZ 3.74Å; L3861-F3865 WeakPolarHBondContact O-CD2 3.34Å; L3861-F3865 WeakPolarHBondContact O-CE2 3.2Å; L3861-F3865 WeakPolarHBondContact O-CG 3.43Å; L3861-F3865 PolarHBondContact O-N 3.11Å; L3861-L3953 HydrophobicContact CD1-CD2 4.01Å; L3861-L3953 HydrophobicContact CD2-CD2 3.85Å; L3861-L3953 HydrophobicContact CG-CD2 4.33Å |
| 3862 | I | 58.5 | Low | 50.5 | Low | 10.25 Ų | 10.25 | 42.3 Ų | 42.3 | 5% | 0.053 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.6 | -44.9 | 174.7 | -55.7 | 163.7 | 0 | 0 | 0 | 110.6 | D3858 S3859 C3864 F3865 F3866 L3887 L3915 F3957 L3961 | D3858-I3862 WeakPolarHBondContact O-CB 3.36Å; D3858-I3862 WeakPolarHBondContact O-CD1 3.45Å; D3858-I3862 WeakPolarHBondContact O-CG1 3.24Å; D3858-I3862 PolarHBondContact O-N 2.99Å; S3859-I3862 PolarHBondContact O-N 3.23Å; I3862-C3864 VanDerWaalsContact C-N 3.33Å; I3862-C3864 PolarHBondContact O-N 3.22Å; I3862-F3865 WeakPolarHBondContact O-CB 3.43Å; I3862-F3865 PolarHBondContact O-N 3.28Å; I3862-F3865 VanDerWaalsContact O-N 3.13Å; I3862-F3866 HydrophobicContact CB-CD2 4.45Å; I3862-F3866 HydrophobicContact CB-CE2 4.21Å; I3862-F3866 HydrophobicContact CG2-CD2 3.65Å; I3862-F3866 VanDerWaalsContact CG2-CD2 3.46Å; I3862-F3866 HydrophobicContact CG2-CE1 4.25Å; I3862-F3866 HydrophobicContact CG2-CE2 3.22Å; I3862-F3866 HydrophobicContact CG2-CG 4.48Å; I3862-F3866 HydrophobicContact CG2-CZ 3.81Å; I3862-F3866 WeakPolarHBondContact O-CB 3.41Å; I3862-F3866 VanDerWaalsContact O-CD2 3.24Å; I3862-F3866 WeakPolarHBondContact O-CD2 3.3Å; I3862-F3866 WeakPolarHBondContact O-CG 3.33Å; I3862-F3866 PolarHBondContact O-N 3.14Å; I3862-L3887 HydrophobicContact CB-CD1 3.86Å; I3862-L3887 HydrophobicContact CD1-CD1 4.18Å; I3862-L3887 HydrophobicContact CD1-CD2 3.9Å; I3862-L3887 HydrophobicContact CD1-CG 4.48Å; I3862-L3887 HydrophobicContact CG1-CD1 4.47Å; I3862-L3887 HydrophobicContact CG2-CD1 3.6Å; I3862-L3915 HydrophobicContact CG2-CD2 4.18Å; I3862-F3957 HydrophobicContact CB-CZ 4.45Å; I3862-F3957 HydrophobicContact CD1-CD1 4.49Å; I3862-F3957 HydrophobicContact CD1-CE1 3.82Å; I3862-F3957 HydrophobicContact CD1-CE2 3.69Å; I3862-F3957 HydrophobicContact CD1-CZ 3.36Å; I3862-F3957 HydrophobicContact CG1-CD1 4.49Å; I3862-F3957 HydrophobicContact CG1-CD2 4.27Å; I3862-F3957 HydrophobicContact CG1-CE1 4.01Å; I3862-F3957 HydrophobicContact CG1-CE2 3.4Å; I3862-F3957 VanDerWaalsContact CG1-CE2 3.44Å; I3862-F3957 HydrophobicContact CG1-CZ 3.16Å; I3862-L3961 HydrophobicContact CD1-CD1 4.24Å |
| 3863 | N | 60 | Low | 50.8 | Low | 0.5 Ų | 0.5 | 46 Ų | 46 | 0% | 0.003 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.4 | -35.9 | -179.5 | -157.1 | 42.3 | 0 | 0 | 0 | 112.3 | L3784 S3859 S3860 L3861 F3865 F3866 H3867 Q3884 L3887 | L3784-N3863 HydrophobicContact CD2-CB 3.93Å; L3784-N3863 VanDerWaalsContact CD2-ND2 3.34Å; L3784-N3863 WeakPolarHBondContact CD2-ND2 3.26Å; S3859-N3863 WeakPolarHBondContact O-CB 3.21Å; S3859-N3863 PolarHBondContact O-N 3.2Å; S3859-N3863 VanDerWaalsContact O-N 3.17Å; S3860-N3863 PolarHBondContact O-N 3.18Å; L3861-N3863 VanDerWaalsContact C-N 3.29Å; L3861-N3863 PolarHBondContact O-N 3.1Å; N3863-F3865 VanDerWaalsContact C-N 3.34Å; N3863-F3866 WeakPolarHBondContact O-CB 3.37Å; N3863-F3866 PolarHBondContact O-N 2.96Å; N3863-H3867 PolarHBondContact O-CD2 3.12Å; N3863-H3867 PolarHBondContact O-N 3.11Å; N3863-Q3884 VanDerWaalsContact OD1-CB 3.3Å; N3863-Q3884 WeakPolarHBondContact OD1-CB 3.24Å; N3863-Q3884 VanDerWaalsContact OD1-CG 3.24Å; N3863-Q3884 WeakPolarHBondContact OD1-CG 3.4Å; N3863-Q3884 PolarHBondContact OD1-NE2 3.17Å; N3863-L3887 HydrophobicContact CB-CD1 4.31Å |
| 3864 | C | 59.3 | Low | 50.9 | Low | 18 Ų | 18 | 47.4 Ų | 47.4 | 12% | 0.122 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.1 | -42 | 171.4 | -68.4 | 0 | 0 | 0 | 0 | 111.6 | T3793 S3860 L3861 I3862 F3866 H3867 E3868 | T3793-C3864 HydrophobicContact CG2-CB 4.13Å; T3793-C3864 VanDerWaalsContact CG2-SG 3.53Å; T3793-C3864 WeakPolarHBondContact CG2-SG 3.45Å; S3860-C3864 WeakPolarHBondContact O-CB 3.48Å; S3860-C3864 PolarHBondContact O-N 3.28Å; S3860-C3864 PolarHBondContact O-SG 3.15Å; L3861-C3864 WeakPolarHBondContact O-CB 3.39Å; L3861-C3864 PolarHBondContact O-N 3.03Å; L3861-C3864 VanDerWaalsContact O-N 3.15Å; I3862-C3864 VanDerWaalsContact C-N 3.33Å; I3862-C3864 PolarHBondContact O-N 3.22Å; C3864-F3866 PolarHBondContact O-N 3.2Å; C3864-H3867 PolarHBondContact O-N 3.3Å; C3864-H3867 VanDerWaalsContact O-N 3.08Å; C3864-E3868 PolarHBondContact O-N 3.16Å; C3864-E3868 VanDerWaalsContact O-N 3.13Å |
| 3865 | F | 58.6 | Low | 51.1 | Low | 11.75 Ų | 11.75 | 47.5 Ų | 47.5 | 5% | 0.052 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.8 | -50.9 | 175.5 | -69.1 | -49 | 0 | 0 | 0 | 110.4 | L3861 I3862 N3863 H3867 E3868 F3871 L3950 L3953 W3954 F3957 | L3861-F3865 HydrophobicContact CB-CE2 4.2Å; L3861-F3865 HydrophobicContact CD2-CD2 4.17Å; L3861-F3865 HydrophobicContact CD2-CE1 4.27Å; L3861-F3865 HydrophobicContact CD2-CE2 3.79Å; L3861-F3865 VanDerWaalsContact CD2-CE2 3.46Å; L3861-F3865 HydrophobicContact CD2-CZ 3.74Å; L3861-F3865 WeakPolarHBondContact O-CD2 3.34Å; L3861-F3865 WeakPolarHBondContact O-CE2 3.2Å; L3861-F3865 WeakPolarHBondContact O-CG 3.43Å; L3861-F3865 PolarHBondContact O-N 3.11Å; I3862-F3865 WeakPolarHBondContact O-CB 3.43Å; I3862-F3865 PolarHBondContact O-N 3.28Å; I3862-F3865 VanDerWaalsContact O-N 3.13Å; N3863-F3865 VanDerWaalsContact C-N 3.34Å; F3865-H3867 PolarHBondContact O-N 3.12Å; F3865-H3867 VanDerWaalsContact O-N 3.09Å; F3865-E3868 PolarHBondContact O-N 3.04Å; F3865-E3868 VanDerWaalsContact O-N 3.14Å; F3865-F3871 VanDerWaalsContact C-CZ 3.45Å; F3865-F3871 HydrophobicContact CB-CZ 4.36Å; F3865-F3871 WeakPolarHBondContact O-CE2 3.38Å; F3865-F3871 WeakPolarHBondContact O-CZ 3.41Å; F3865-L3950 HydrophobicContact CE1-CB 4.35Å; F3865-L3950 HydrophobicContact CE1-CD1 4.36Å; F3865-L3950 HydrophobicContact CE1-CD2 3.93Å; F3865-L3950 HydrophobicContact CE1-CG 4.31Å; F3865-L3950 HydrophobicContact CZ-CB 4.44Å; F3865-L3950 HydrophobicContact CZ-CD2 4.19Å; F3865-L3953 HydrophobicContact CZ-CB 4.06Å; F3865-W3954 HydrophobicContact CB-CH2 4.02Å; F3865-W3954 HydrophobicContact CB-CZ2 3.82Å; F3865-W3954 AromaticContact CD1-CD1 3.89Å; F3865-W3954 AromaticContact CD1-CE2 3.61Å; F3865-W3954 HydrophobicContact CD1-CH2 4.23Å; F3865-W3954 AromaticContact CD1-CZ2 3.43Å; F3865-W3954 HydrophobicContact CD1-CZ2 3.43Å; F3865-W3954 VanDerWaalsContact CD1-CZ2 3.44Å; F3865-W3954 AromaticContact CD1-NE1 3.6Å; F3865-W3954 AromaticContact CD2-CD1 3.91Å; F3865-W3954 AromaticContact CD2-CE2 3.96Å; F3865-W3954 AromaticContact CD2-CH2 3.74Å; F3865-W3954 HydrophobicContact CD2-CH2 3.74Å; F3865-W3954 AromaticContact CD2-CZ2 3.65Å; F3865-W3954 HydrophobicContact CD2-CZ2 3.91Å; F3865-W3954 HydrophobicContact CD2-CZ3 4.21Å; F3865-W3954 AromaticContact CD2-NE1 3.35Å; F3865-W3954 AromaticContact CE1-CD1 3.66Å; F3865-W3954 HydrophobicContact CE1-CD2 4.29Å; F3865-W3954 AromaticContact CE1-CE2 3.53Å; F3865-W3954 VanDerWaalsContact CE1-CE2 3.42Å; F3865-W3954 HydrophobicContact CE1-CG 4.4Å; F3865-W3954 HydrophobicContact CE1-CH2 4.4Å; F3865-W3954 AromaticContact CE1-CZ2 3.71Å; F3865-W3954 HydrophobicContact CE1-CZ2 3.71Å; F3865-W3954 AromaticContact CE1-NE1 3.22Å; F3865-W3954 VanDerWaalsContact CE1-NE1 3.33Å; F3865-W3954 AromaticContact CE2-CD1 3.54Å; F3865-W3954 HydrophobicContact CE2-CD2 4.34Å; F3865-W3954 AromaticContact CE2-CE2 3.92Å; F3865-W3954 HydrophobicContact CE2-CE3 4.44Å; F3865-W3954 HydrophobicContact CE2-CG 4.36Å; F3865-W3954 HydrophobicContact CE2-CH2 4.25Å; F3865-W3954 AromaticContact CE2-CZ2 4Å; F3865-W3954 HydrophobicContact CE2-CZ2 4.04Å; F3865-W3954 HydrophobicContact CE2-CZ3 4.31Å; F3865-W3954 AromaticContact CE2-NE1 3.64Å; F3865-W3954 AromaticContact CG-CE2 3.87Å; F3865-W3954 AromaticContact CG-CH2 3.75Å; F3865-W3954 HydrophobicContact CG-CH2 3.75Å; F3865-W3954 AromaticContact CG-CZ2 3.29Å; F3865-W3954 HydrophobicContact CG-CZ2 3.73Å; F3865-W3954 AromaticContact CG-NE1 3.19Å; F3865-W3954 AromaticContact CZ-CD1 3.58Å; F3865-W3954 HydrophobicContact CZ-CD2 4.11Å; F3865-W3954 AromaticContact CZ-CE2 3.74Å; F3865-W3954 HydrophobicContact CZ-CG 4.34Å; F3865-W3954 HydrophobicContact CZ-CH2 4.44Å; F3865-W3954 AromaticContact CZ-CZ2 4Å; F3865-W3954 HydrophobicContact CZ-CZ2 4.12Å; F3865-W3954 AromaticContact CZ-NE1 3.32Å; F3865-F3957 HydrophobicContact CE2-CG 4.49Å |
| 3866 | F | 59.8 | Low | 51.5 | Low | 14.25 Ų | 14.25 | 46.7 Ų | 46.7 | 6% | 0.063 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -54.3 | -19.2 | 176.9 | -76.3 | -39.7 | 0 | 0 | 0 | 115.5 | I3862 N3863 C3864 F3871 M3880 I3883 Q3884 L3887 L3911 Y3914 L3915 | I3862-F3866 HydrophobicContact CB-CD2 4.45Å; I3862-F3866 HydrophobicContact CB-CE2 4.21Å; I3862-F3866 HydrophobicContact CG2-CD2 3.65Å; I3862-F3866 VanDerWaalsContact CG2-CD2 3.46Å; I3862-F3866 HydrophobicContact CG2-CE1 4.25Å; I3862-F3866 HydrophobicContact CG2-CE2 3.22Å; I3862-F3866 HydrophobicContact CG2-CG 4.48Å; I3862-F3866 HydrophobicContact CG2-CZ 3.81Å; I3862-F3866 WeakPolarHBondContact O-CB 3.41Å; I3862-F3866 VanDerWaalsContact O-CD2 3.24Å; I3862-F3866 WeakPolarHBondContact O-CD2 3.3Å; I3862-F3866 WeakPolarHBondContact O-CG 3.33Å; I3862-F3866 PolarHBondContact O-N 3.14Å; N3863-F3866 WeakPolarHBondContact O-CB 3.37Å; N3863-F3866 PolarHBondContact O-N 2.96Å; C3864-F3866 PolarHBondContact O-N 3.2Å; F3866-F3871 AromaticContact CD1-CE1 3.61Å; F3866-F3871 HydrophobicContact CD1-CE1 3.94Å; F3866-F3871 AromaticContact CD1-CE2 3.85Å; F3866-F3871 HydrophobicContact CD1-CE2 3.85Å; F3866-F3871 AromaticContact CD1-CZ 3.21Å; F3866-F3871 HydrophobicContact CD1-CZ 3.7Å; F3866-F3871 AromaticContact CE1-CE1 3.73Å; F3866-F3871 HydrophobicContact CE1-CE1 3.73Å; F3866-F3871 AromaticContact CE1-CZ 3.51Å; F3866-F3871 HydrophobicContact CE1-CZ 3.51Å; F3866-F3871 HydrophobicContact CG-CZ 4.33Å; F3866-F3871 VanDerWaalsContact O-CE2 3.31Å; F3866-F3871 WeakPolarHBondContact O-CE2 3.42Å; F3866-M3880 HydrophobicContact CB-CE 3.47Å; F3866-M3880 HydrophobicContact CD1-CE 3.09Å; F3866-M3880 HydrophobicContact CD1-SD 3.61Å; F3866-M3880 WeakPolarHBondContact CD1-SD 3.46Å; F3866-M3880 HydrophobicContact CD2-CE 3.88Å; F3866-M3880 VanDerWaalsContact CD2-CE 3.44Å; F3866-M3880 HydrophobicContact CE1-CE 3.67Å; F3866-M3880 HydrophobicContact CE1-SD 3.71Å; F3866-M3880 WeakPolarHBondContact CE1-SD 3.31Å; F3866-M3880 HydrophobicContact CE2-CE 4.17Å; F3866-M3880 HydrophobicContact CG-CE 3.22Å; F3866-M3880 HydrophobicContact CG-SD 4.09Å; F3866-M3880 HydrophobicContact CZ-CE 4.15Å; F3866-M3880 HydrophobicContact CZ-SD 4.2Å; F3866-I3883 HydrophobicContact CD2-CG2 4.28Å; F3866-I3883 HydrophobicContact CE2-CG2 3.59Å; F3866-I3883 HydrophobicContact CZ-CG2 3.77Å; F3866-Q3884 HydrophobicContact CB-CG 4.27Å; F3866-Q3884 HydrophobicContact CD2-CG 3.91Å; F3866-Q3884 HydrophobicContact CE2-CG 4.41Å; F3866-Q3884 HydrophobicContact CG-CG 4.29Å; F3866-L3887 HydrophobicContact CD2-CD1 4.11Å; F3866-L3887 HydrophobicContact CE2-CD1 3.74Å; F3866-L3911 HydrophobicContact CZ-CD1 4.2Å; F3866-Y3914 HydrophobicContact CD1-CE1 4.23Å; F3866-Y3914 HydrophobicContact CE1-CD1 4.2Å; F3866-Y3914 AromaticContact CE1-CE1 3.59Å; F3866-Y3914 HydrophobicContact CE1-CE1 3.59Å; F3866-Y3914 VanDerWaalsContact CE1-CE1 3.42Å; F3866-Y3914 HydrophobicContact CZ-CE1 4.24Å; F3866-L3915 HydrophobicContact CE1-CD2 4.32Å; F3866-L3915 HydrophobicContact CZ-CD2 4.18Å |
| 3867 | H | 56.2 | Low | 52 | Low | 22.25 Ų | 22.25 | 45.3 Ų | 45.3 | 10% | 0.103 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -95.2 | -16.4 | 179 | -78.7 | -46.4 | 0 | 0 | 0 | 115.8 | R3787 N3863 C3864 F3865 D3869 Q3884 | R3787-H3867 HydrophobicContact CG-CB 4.1Å; R3787-H3867 VanDerWaalsContact CZ-O 3.31Å; R3787-H3867 PolarHBondContact NE-ND1 3.37Å; R3787-H3867 PolarHBondContact NE-O 3.15Å; R3787-H3867 PolarHBondContact NH1-O 2.86Å; R3787-H3867 PolarHBondContact NH2-O 2.94Å; R3787-H3867 VanDerWaalsContact NH2-O 3.11Å; N3863-H3867 PolarHBondContact O-CD2 3.12Å; N3863-H3867 PolarHBondContact O-N 3.11Å; C3864-H3867 PolarHBondContact O-N 3.3Å; C3864-H3867 VanDerWaalsContact O-N 3.08Å; F3865-H3867 PolarHBondContact O-N 3.12Å; F3865-H3867 VanDerWaalsContact O-N 3.09Å; H3867-D3869 PolarHBondContact O-N 3.37Å; H3867-D3869 VanDerWaalsContact O-N 3.13Å; H3867-Q3884 PolarHBondContact CE1-NE2 3.25Å; H3867-Q3884 PolarHBondContact CE1-OE1 2.84Å; H3867-Q3884 PolarHBondContact ND1-NE2 3.03Å; H3867-Q3884 PolarHBondContact NE2-NE2 2.95Å; H3867-Q3884 VanDerWaalsContact NE2-NE2 3.17Å |
| 3868 | E | 52.4 | Low | 52.6 | Low | 59.5 Ų | 59.5 | 49.1 Ų | 49.1 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -77.9 | 69.3 | -178.7 | -80.6 | -134.3 | 152.2 | 0 | 0 | 112.8 | V3790 C3864 F3865 I3870 F3871 | V3790-E3868 WeakPolarHBondContact CG1-OE1 3.34Å; V3790-E3868 HydrophobicContact CG2-CG 4.3Å; V3790-E3868 VanDerWaalsContact CG2-OE1 3.25Å; V3790-E3868 WeakPolarHBondContact CG2-OE1 3.36Å; V3790-E3868 WeakPolarHBondContact CG2-OE2 3.31Å; V3790-E3868 PolarHBondContact N-OE1 3.45Å; C3864-E3868 PolarHBondContact O-N 3.16Å; C3864-E3868 VanDerWaalsContact O-N 3.13Å; F3865-E3868 PolarHBondContact O-N 3.04Å; F3865-E3868 VanDerWaalsContact O-N 3.14Å; E3868-I3870 HydrophobicContact CB-CD1 4.18Å; E3868-I3870 HydrophobicContact CB-CG1 4.2Å; E3868-I3870 HydrophobicContact CG-CD1 4.47Å; E3868-I3870 PolarHBondContact O-N 3.2Å; E3868-I3870 VanDerWaalsContact OE2-CD1 3.25Å; E3868-I3870 WeakPolarHBondContact OE2-CD1 3.36Å; E3868-F3871 HydrophobicContact CB-CE2 4.19Å; E3868-F3871 VanDerWaalsContact O-CD2 3.29Å; E3868-F3871 WeakPolarHBondContact O-CD2 3.17Å |
| 3869 | D | 44.4 | Very low | 52.9 | Low | 134.25 Ų | 134.25 | 49.9 Ų | 49.9 | 72% | 0.718 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -8.5 | 20.5 | -176.9 | -58.8 | -40.7 | 0 | 0 | 0 | 114.6 | R3787 H3867 F3871 | R3787-D3869 IonicContact CZ-OD2 3.45Å; R3787-D3869 IonicContact NH1-OD1 3.57Å; R3787-D3869 IonicContact NH1-OD2 3.04Å; R3787-D3869 PolarHBondContact NH1-OD2 3.41Å; R3787-D3869 IonicContact NH2-OD1 3.45Å; H3867-D3869 PolarHBondContact O-N 3.37Å; H3867-D3869 VanDerWaalsContact O-N 3.13Å; D3869-F3871 VanDerWaalsContact C-N 3.27Å; D3869-F3871 PolarHBondContact O-N 2.94Å |
| 3870 | I | 43 | Very low | 53.5 | Low | 55 Ų | 55 | 50.6 Ų | 50.6 | 28% | 0.282 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -8.9 | 173.3 | -63.6 | 175.2 | 0 | 0 | 0 | 110.8 | E3868 N3922 K3925 L3950 | E3868-I3870 HydrophobicContact CB-CD1 4.18Å; E3868-I3870 HydrophobicContact CB-CG1 4.2Å; E3868-I3870 HydrophobicContact CG-CD1 4.47Å; E3868-I3870 PolarHBondContact O-N 3.2Å; E3868-I3870 VanDerWaalsContact OE2-CD1 3.25Å; E3868-I3870 WeakPolarHBondContact OE2-CD1 3.36Å; I3870-N3922 WeakPolarHBondContact CG2-OD1 3.39Å; I3870-K3925 VanDerWaalsContact CG2-NZ 3.28Å; I3870-L3950 HydrophobicContact CD1-CD1 3.79Å |
| 3871 | F | 44.6 | Very low | 54.2 | Low | 47.25 Ų | 47.25 | 50.6 Ų | 50.6 | 21% | 0.207 | 27% | 0.268 | C | S | . | . | trans | -84.5 | 123.7 | -170.9 | -67.2 | -75.7 | 0 | 0 | 0 | 113 | F3865 F3866 E3868 D3869 L3873 Y3914 L3918 W3954 | F3865-F3871 VanDerWaalsContact C-CZ 3.45Å; F3865-F3871 HydrophobicContact CB-CZ 4.36Å; F3865-F3871 WeakPolarHBondContact O-CE2 3.38Å; F3865-F3871 WeakPolarHBondContact O-CZ 3.41Å; F3866-F3871 AromaticContact CD1-CE1 3.61Å; F3866-F3871 HydrophobicContact CD1-CE1 3.94Å; F3866-F3871 AromaticContact CD1-CE2 3.85Å; F3866-F3871 HydrophobicContact CD1-CE2 3.85Å; F3866-F3871 AromaticContact CD1-CZ 3.21Å; F3866-F3871 HydrophobicContact CD1-CZ 3.7Å; F3866-F3871 AromaticContact CE1-CE1 3.73Å; F3866-F3871 HydrophobicContact CE1-CE1 3.73Å; F3866-F3871 AromaticContact CE1-CZ 3.51Å; F3866-F3871 HydrophobicContact CE1-CZ 3.51Å; F3866-F3871 HydrophobicContact CG-CZ 4.33Å; F3866-F3871 VanDerWaalsContact O-CE2 3.31Å; F3866-F3871 WeakPolarHBondContact O-CE2 3.42Å; E3868-F3871 HydrophobicContact CB-CE2 4.19Å; E3868-F3871 VanDerWaalsContact O-CD2 3.29Å; E3868-F3871 WeakPolarHBondContact O-CD2 3.17Å; D3869-F3871 VanDerWaalsContact C-N 3.27Å; D3869-F3871 PolarHBondContact O-N 2.94Å; F3871-L3873 PolarHBondContact O-N 2.75Å; F3871-Y3914 AromaticContact CD1-CE1 3.88Å; F3871-Y3914 HydrophobicContact CD1-CE1 4.16Å; F3871-Y3914 AromaticContact CD1-CE2 3.95Å; F3871-Y3914 HydrophobicContact CD1-CE2 4.13Å; F3871-Y3914 AromaticContact CD1-CZ 3.72Å; F3871-Y3914 WeakPolarHBondContact CD1-OH 3.36Å; F3871-Y3914 HydrophobicContact CE1-CD1 4.32Å; F3871-Y3914 AromaticContact CE1-CE1 3.42Å; F3871-Y3914 HydrophobicContact CE1-CE1 3.83Å; F3871-Y3914 VanDerWaalsContact CE1-CE1 3.42Å; F3871-Y3914 HydrophobicContact CE1-CE2 4.23Å; F3871-Y3914 AromaticContact CE1-CZ 3.58Å; F3871-Y3914 VanDerWaalsContact CE1-CZ 3.41Å; F3871-Y3914 WeakPolarHBondContact CE1-OH 3.4Å; F3871-Y3914 WeakPolarHBondContact CG-OH 3.47Å; F3871-Y3914 HydrophobicContact CZ-CE1 4.5Å; F3871-L3918 HydrophobicContact CD1-CD1 3.8Å; F3871-L3918 HydrophobicContact CD1-CD2 3.45Å; F3871-L3918 VanDerWaalsContact CD1-CD2 3.45Å; F3871-L3918 HydrophobicContact CD1-CG 4.02Å; F3871-L3918 HydrophobicContact CD2-CD2 3.99Å; F3871-L3918 HydrophobicContact CE1-CB 3.91Å; F3871-L3918 HydrophobicContact CE1-CD1 3.23Å; F3871-L3918 HydrophobicContact CE1-CD2 3.9Å; F3871-L3918 HydrophobicContact CE1-CG 3.56Å; F3871-L3918 HydrophobicContact CE2-CD1 4.13Å; F3871-L3918 HydrophobicContact CE2-CD2 3.67Å; F3871-L3918 HydrophobicContact CG-CD1 4.45Å; F3871-L3918 HydrophobicContact CG-CD2 3.88Å; F3871-L3918 HydrophobicContact CZ-CB 4.39Å; F3871-L3918 HydrophobicContact CZ-CD1 4Å; F3871-L3918 HydrophobicContact CZ-CD2 3.64Å; F3871-L3918 HydrophobicContact CZ-CG 3.76Å; F3871-W3954 HydrophobicContact CE2-CZ2 4.25Å; F3871-W3954 AromaticContact CZ-CH2 3.92Å; F3871-W3954 HydrophobicContact CZ-CH2 3.92Å; F3871-W3954 AromaticContact CZ-CZ2 3.95Å; F3871-W3954 HydrophobicContact CZ-CZ2 3.95Å | ||
| 3872 | D | 41.5 | Very low | 54.8 | Low | 87 Ų | 87 | 50.4 Ų | 50.4 | 47% | 0.465 | 27% | 0.267 | S | S | . | . | trans | -56.2 | 140.4 | 176.1 | -128 | -4.4 | 0 | 0 | 0 | 111 | N3874 K3925 | D3872-N3874 HydrophobicContact CB-CB 4.39Å; D3872-N3874 VanDerWaalsContact CG-ND2 3.28Å; D3872-N3874 PolarHBondContact O-N 3.22Å; D3872-N3874 PolarHBondContact OD1-ND2 3.04Å; D3872-N3874 PolarHBondContact OD2-ND2 3.1Å; D3872-K3925 IonicContact OD1-NZ 2.74Å; D3872-K3925 PolarHBondContact OD1-NZ 3Å | ||
| 3873 | L | 44.6 | Very low | 55.2 | Low | 155.25 Ų | 155.25 | 50.3 Ų | 50.3 | 81% | 0.813 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -1.7 | 176.2 | -76.4 | 155.7 | 0 | 0 | 0 | 114.4 | F3871 | F3871-L3873 PolarHBondContact O-N 2.75Š|
| 3874 | N | 41.5 | Very low | 55.8 | Low | 119.75 Ų | 119.75 | 50.4 Ų | 50.4 | 64% | 0.64 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -0.9 | -169.4 | -66.3 | -30.5 | 0 | 0 | 0 | 114.6 | D3872 | D3872-N3874 HydrophobicContact CB-CB 4.39Å; D3872-N3874 VanDerWaalsContact CG-ND2 3.28Å; D3872-N3874 PolarHBondContact O-N 3.22Å; D3872-N3874 PolarHBondContact OD1-ND2 3.04Å; D3872-N3874 PolarHBondContact OD2-ND2 3.1Å |
| 3875 | L | 45.7 | Very low | 56.4 | Low | 34.25 Ų | 34.25 | 49.6 Ų | 49.6 | 18% | 0.179 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -82.6 | 135.6 | 174 | -132.4 | 149 | 0 | 0 | 0 | 109.5 | Q3877 M3880 Y3914 | L3875-Q3877 VanDerWaalsContact C-N 3.34Å; L3875-Q3877 PolarHBondContact O-N 3.44Å; L3875-M3880 HydrophobicContact CD1-CE 4.06Å; L3875-M3880 HydrophobicContact CD1-SD 3.86Å; L3875-M3880 HydrophobicContact CD2-CB 4Å; L3875-M3880 HydrophobicContact CD2-CG 4.24Å; L3875-M3880 HydrophobicContact CD2-SD 3.78Å; L3875-Y3914 HydrophobicContact CB-CD2 4.35Å; L3875-Y3914 HydrophobicContact CB-CE2 4.04Å; L3875-Y3914 HydrophobicContact CD1-CD1 3.93Å; L3875-Y3914 HydrophobicContact CD1-CD2 3.72Å; L3875-Y3914 HydrophobicContact CD1-CE1 4.02Å; L3875-Y3914 VanDerWaalsContact CD1-CE1 3.47Å; L3875-Y3914 HydrophobicContact CD1-CE2 3.42Å; L3875-Y3914 HydrophobicContact CD1-CG 3.69Å; L3875-Y3914 VanDerWaalsContact CD1-OH 3.25Å; L3875-Y3914 WeakPolarHBondContact CD1-OH 3.14Å; L3875-Y3914 HydrophobicContact CD2-CD2 4.34Å; L3875-Y3914 HydrophobicContact CD2-CE2 4.42Å; L3875-Y3914 HydrophobicContact CD2-CG 4.44Å; L3875-Y3914 HydrophobicContact CG-CD1 4.4Å; L3875-Y3914 HydrophobicContact CG-CD2 3.82Å; L3875-Y3914 VanDerWaalsContact CG-CD2 3.48Å; L3875-Y3914 HydrophobicContact CG-CE1 4.22Å; L3875-Y3914 HydrophobicContact CG-CE2 3.62Å; L3875-Y3914 HydrophobicContact CG-CG 4.01Å |
| 3876 | P | 51 | Low | 56.9 | Low | 78 Ų | 78 | 49.1 Ų | 49.1 | 51% | 0.506 | 26% | 0.259 | S | S | . | . | trans | -60.5 | 105.9 | 167.3 | 13.3 | -16.5 | 0 | 0 | 0 | 108.5 | D3878 S3879 | P3876-D3878 PolarHBondContact O-N 3.08Å; P3876-D3878 VanDerWaalsContact O-N 3.16Å; P3876-S3879 PolarHBondContact O-N 3.25Å | ||
| 3877 | Q | 55.7 | Low | 57.3 | Low | 65.75 Ų | 65.75 | 48.6 Ų | 48.6 | 31% | 0.307 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -7 | -176.1 | -67.5 | -178.6 | -22.2 | 0 | 0 | 113 | K3652 S3655 L3875 S3879 | K3652-Q3877 HydrophobicContact CD-CB 3.96Å; K3652-Q3877 WeakPolarHBondContact CD-O 3.24Å; K3652-Q3877 HydrophobicContact CG-CB 4.04Å; K3652-Q3877 PolarHBondContact NZ-O 3.44Å; K3652-Q3877 VanDerWaalsContact NZ-O 3.16Å; S3655-Q3877 PolarHBondContact OG-NE2 3.45Å; L3875-Q3877 VanDerWaalsContact C-N 3.34Å; L3875-Q3877 PolarHBondContact O-N 3.44Å; Q3877-S3879 PolarHBondContact O-N 2.68Å |
| 3878 | D | 59.2 | Low | 58 | Low | 87.5 Ų | 87.5 | 47.6 Ų | 47.6 | 47% | 0.468 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -31.9 | -170.7 | -55.1 | -22.8 | 0 | 0 | 0 | 114.2 | K3652 Q3668 P3876 I3882 | K3652-D3878 WeakPolarHBondContact CE-OD1 3.46Å; K3652-D3878 IonicContact NZ-OD1 3.31Å; K3652-D3878 PolarHBondContact NZ-OD1 3.1Å; Q3668-D3878 PolarHBondContact NE2-OD2 2.84Å; P3876-D3878 PolarHBondContact O-N 3.08Å; P3876-D3878 VanDerWaalsContact O-N 3.16Å; D3878-I3882 WeakPolarHBondContact O-CD1 3.46Å |
| 3879 | S | 63 | Low | 58.7 | Low | 25.5 Ų | 25.5 | 45.8 Ų | 45.8 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -93.2 | -13.7 | -178.4 | 59 | 0 | 0 | 0 | 0 | 114.3 | P3876 Q3877 I3882 I3883 | P3876-S3879 PolarHBondContact O-N 3.25Å; Q3877-S3879 PolarHBondContact O-N 2.68Å; S3879-I3882 PolarHBondContact O-N 3.27Å; S3879-I3882 VanDerWaalsContact O-N 3.16Å; S3879-I3883 WeakPolarHBondContact O-CD1 3.35Å; S3879-I3883 WeakPolarHBondContact O-CG1 3.45Å; S3879-I3883 PolarHBondContact O-N 3.12Å; S3879-I3883 VanDerWaalsContact O-N 3.14Å |
| 3880 | M | 68.5 | Low | 59.6 | Low | 23.75 Ų | 23.75 | 40 Ų | 40 | 12% | 0.117 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.7 | -46.2 | -169.2 | -169 | 65.3 | -167.8 | 0 | 0 | 114.1 | F3866 L3875 I3882 I3883 Q3884 Y3914 | F3866-M3880 HydrophobicContact CB-CE 3.47Å; F3866-M3880 HydrophobicContact CD1-CE 3.09Å; F3866-M3880 HydrophobicContact CD1-SD 3.61Å; F3866-M3880 WeakPolarHBondContact CD1-SD 3.46Å; F3866-M3880 HydrophobicContact CD2-CE 3.88Å; F3866-M3880 VanDerWaalsContact CD2-CE 3.44Å; F3866-M3880 HydrophobicContact CE1-CE 3.67Å; F3866-M3880 HydrophobicContact CE1-SD 3.71Å; F3866-M3880 WeakPolarHBondContact CE1-SD 3.31Å; F3866-M3880 HydrophobicContact CE2-CE 4.17Å; F3866-M3880 HydrophobicContact CG-CE 3.22Å; F3866-M3880 HydrophobicContact CG-SD 4.09Å; F3866-M3880 HydrophobicContact CZ-CE 4.15Å; F3866-M3880 HydrophobicContact CZ-SD 4.2Å; L3875-M3880 HydrophobicContact CD1-CE 4.06Å; L3875-M3880 HydrophobicContact CD1-SD 3.86Å; L3875-M3880 HydrophobicContact CD2-CB 4Å; L3875-M3880 HydrophobicContact CD2-CG 4.24Å; L3875-M3880 HydrophobicContact CD2-SD 3.78Å; M3880-I3882 VanDerWaalsContact C-N 3.3Å; M3880-I3882 PolarHBondContact O-N 3.34Å; M3880-I3883 HydrophobicContact CE-CB 3.82Å; M3880-I3883 HydrophobicContact CE-CD1 4.32Å; M3880-I3883 HydrophobicContact CE-CG2 3.72Å; M3880-I3883 PolarHBondContact O-N 3.21Å; M3880-Q3884 VanDerWaalsContact CE-CD 3.49Å; M3880-Q3884 HydrophobicContact CE-CG 3.77Å; M3880-Q3884 WeakPolarHBondContact O-CG 3.2Å; M3880-Q3884 PolarHBondContact O-N 3.09Å; M3880-Q3884 VanDerWaalsContact O-N 3.1Å; M3880-Q3884 HydrophobicContact SD-CG 4.43Å; M3880-Y3914 HydrophobicContact SD-CE1 3.41Å; M3880-Y3914 WeakPolarHBondContact SD-CE1 3.49Å; M3880-Y3914 PolarHBondContact SD-OH 3.19Å |
| 3881 | P | 72.6 | Confident | 60.5 | Low | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.013 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.2 | -38.9 | 178.4 | -24.7 | 36.3 | 0 | 0 | 0 | 113 | Y3645 S3648 F3649 Q3884 T3885 | Y3645-P3881 HydrophobicContact CD2-CB 3.66Å; Y3645-P3881 HydrophobicContact CE2-CB 3.53Å; Y3645-P3881 VanDerWaalsContact CE2-CB 3.45Å; Y3645-P3881 HydrophobicContact CE2-CG 4.49Å; Y3645-P3881 HydrophobicContact CG-CB 4.44Å; S3648-P3881 WeakPolarHBondContact OG-CA 3.41Å; S3648-P3881 WeakPolarHBondContact OG-CB 3.25Å; F3649-P3881 HydrophobicContact CB-CB 4.35Å; F3649-P3881 HydrophobicContact CB-CG 4.27Å; F3649-P3881 HydrophobicContact CD2-CG 4.29Å; P3881-Q3884 PolarHBondContact O-N 3.44Å; P3881-T3885 VanDerWaalsContact O-CB 3.24Å; P3881-T3885 WeakPolarHBondContact O-CB 3.47Å; P3881-T3885 WeakPolarHBondContact O-CG2 3.35Å; P3881-T3885 PolarHBondContact O-N 3.24Å; P3881-T3885 PolarHBondContact O-OG1 2.98Å; P3881-T3885 VanDerWaalsContact O-OG1 3.06Å |
| 3882 | I | 71.1 | Confident | 61.3 | Low | 6 Ų | 6 | 36.2 Ų | 36.2 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.2 | -39.2 | -179.5 | -64.4 | 113.4 | 0 | 0 | 0 | 111.6 | W3590 Y3645 P3674 D3878 S3879 M3880 Q3884 T3885 S3886 L3903 | W3590-I3882 HydrophobicContact CB-CD1 3.43Å; W3590-I3882 VanDerWaalsContact CB-CD1 3.43Å; W3590-I3882 HydrophobicContact CB-CG1 4.43Å; W3590-I3882 HydrophobicContact CD2-CB 4.45Å; W3590-I3882 HydrophobicContact CD2-CD1 4.22Å; W3590-I3882 HydrophobicContact CD2-CG1 4.12Å; W3590-I3882 HydrophobicContact CD2-CG2 3.58Å; W3590-I3882 HydrophobicContact CE3-CG2 3.77Å; W3590-I3882 HydrophobicContact CG-CD1 3.71Å; W3590-I3882 HydrophobicContact CG-CG1 3.78Å; W3590-I3882 HydrophobicContact CG-CG2 4.02Å; W3590-I3882 HydrophobicContact CH2-CG2 4.15Å; W3590-I3882 HydrophobicContact CZ2-CD1 4.39Å; W3590-I3882 HydrophobicContact CZ2-CG2 4Å; W3590-I3882 HydrophobicContact CZ3-CG2 4.07Å; Y3645-I3882 HydrophobicContact CD2-CD1 4.44Å; Y3645-I3882 HydrophobicContact CE2-CD1 4.11Å; Y3645-I3882 HydrophobicContact CE2-CG1 4.26Å; P3674-I3882 HydrophobicContact CB-CD1 4.09Å; P3674-I3882 HydrophobicContact CG-CD1 3.93Å; D3878-I3882 WeakPolarHBondContact O-CD1 3.46Å; S3879-I3882 PolarHBondContact O-N 3.27Å; S3879-I3882 VanDerWaalsContact O-N 3.16Å; M3880-I3882 VanDerWaalsContact C-N 3.3Å; M3880-I3882 PolarHBondContact O-N 3.34Å; I3882-Q3884 VanDerWaalsContact C-N 3.33Å; I3882-Q3884 PolarHBondContact O-N 3.38Å; I3882-T3885 VanDerWaalsContact C-OG1 3.28Å; I3882-T3885 VanDerWaalsContact CA-OG1 3.26Å; I3882-T3885 WeakPolarHBondContact CA-OG1 2.83Å; I3882-T3885 PolarHBondContact O-N 3.31Å; I3882-T3885 PolarHBondContact O-OG1 2.88Å; I3882-S3886 WeakPolarHBondContact O-CB 3.28Å; I3882-S3886 PolarHBondContact O-N 3.28Å; I3882-S3886 PolarHBondContact O-OG 3.24Å; I3882-L3903 HydrophobicContact CG2-CD2 4.49Å |
| 3883 | I | 67.4 | Low | 62 | Low | 8.25 Ų | 8.25 | 34 Ų | 34 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61 | -49.7 | 175.3 | -69.5 | 161.6 | 0 | 0 | 0 | 109.8 | F3866 S3879 M3880 T3885 S3886 L3887 L3911 | F3866-I3883 HydrophobicContact CD2-CG2 4.28Å; F3866-I3883 HydrophobicContact CE2-CG2 3.59Å; F3866-I3883 HydrophobicContact CZ-CG2 3.77Å; S3879-I3883 WeakPolarHBondContact O-CD1 3.35Å; S3879-I3883 WeakPolarHBondContact O-CG1 3.45Å; S3879-I3883 PolarHBondContact O-N 3.12Å; S3879-I3883 VanDerWaalsContact O-N 3.14Å; M3880-I3883 HydrophobicContact CE-CB 3.82Å; M3880-I3883 HydrophobicContact CE-CD1 4.32Å; M3880-I3883 HydrophobicContact CE-CG2 3.72Å; M3880-I3883 PolarHBondContact O-N 3.21Å; I3883-T3885 VanDerWaalsContact C-N 3.3Å; I3883-T3885 PolarHBondContact O-N 3.16Å; I3883-S3886 WeakPolarHBondContact O-CB 3.37Å; I3883-S3886 PolarHBondContact O-N 3.36Å; I3883-S3886 VanDerWaalsContact O-N 3.15Å; I3883-L3887 HydrophobicContact CG2-CD1 4.23Å; I3883-L3887 WeakPolarHBondContact O-CG 3.22Å; I3883-L3887 PolarHBondContact O-N 2.96Å; I3883-L3887 VanDerWaalsContact O-N 3.09Å; I3883-L3911 HydrophobicContact CB-CD1 3.96Å; I3883-L3911 HydrophobicContact CD1-CB 4.41Å; I3883-L3911 HydrophobicContact CD1-CD1 4.04Å; I3883-L3911 HydrophobicContact CD1-CG 3.83Å; I3883-L3911 HydrophobicContact CG1-CD1 3.93Å; I3883-L3911 HydrophobicContact CG1-CG 4.06Å; I3883-L3911 HydrophobicContact CG2-CD1 3.59Å; I3883-L3911 HydrophobicContact CG2-CD2 4.32Å; I3883-L3911 HydrophobicContact CG2-CG 4.19Å |
| 3884 | Q | 71.3 | Confident | 62.3 | Low | 3 Ų | 3 | 30 Ų | 30 | 1% | 0.014 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | 178.8 | -67 | -171.3 | -72.3 | 0 | 0 | 112 | V3644 S3648 N3863 F3866 H3867 M3880 P3881 I3882 S3886 L3887 V3888 | V3644-Q3884 HydrophobicContact CG1-CB 3.76Å; S3648-Q3884 PolarHBondContact OG-OE1 3.04Å; N3863-Q3884 VanDerWaalsContact OD1-CB 3.3Å; N3863-Q3884 WeakPolarHBondContact OD1-CB 3.24Å; N3863-Q3884 VanDerWaalsContact OD1-CG 3.24Å; N3863-Q3884 WeakPolarHBondContact OD1-CG 3.4Å; N3863-Q3884 PolarHBondContact OD1-NE2 3.17Å; F3866-Q3884 HydrophobicContact CB-CG 4.27Å; F3866-Q3884 HydrophobicContact CD2-CG 3.91Å; F3866-Q3884 HydrophobicContact CE2-CG 4.41Å; F3866-Q3884 HydrophobicContact CG-CG 4.29Å; H3867-Q3884 PolarHBondContact CE1-NE2 3.25Å; H3867-Q3884 PolarHBondContact CE1-OE1 2.84Å; H3867-Q3884 PolarHBondContact ND1-NE2 3.03Å; H3867-Q3884 PolarHBondContact NE2-NE2 2.95Å; H3867-Q3884 VanDerWaalsContact NE2-NE2 3.17Å; M3880-Q3884 VanDerWaalsContact CE-CD 3.49Å; M3880-Q3884 HydrophobicContact CE-CG 3.77Å; M3880-Q3884 WeakPolarHBondContact O-CG 3.2Å; M3880-Q3884 PolarHBondContact O-N 3.09Å; M3880-Q3884 VanDerWaalsContact O-N 3.1Å; M3880-Q3884 HydrophobicContact SD-CG 4.43Å; P3881-Q3884 PolarHBondContact O-N 3.44Å; I3882-Q3884 VanDerWaalsContact C-N 3.33Å; I3882-Q3884 PolarHBondContact O-N 3.38Å; Q3884-S3886 VanDerWaalsContact C-N 3.29Å; Q3884-S3886 PolarHBondContact O-N 3.18Å; Q3884-L3887 WeakPolarHBondContact O-CB 3.38Å; Q3884-L3887 PolarHBondContact O-N 3.25Å; Q3884-V3888 WeakPolarHBondContact O-CG2 3.34Å; Q3884-V3888 PolarHBondContact O-N 3.05Å; Q3884-V3888 VanDerWaalsContact O-N 3.16Å |
| 3885 | T | 72.5 | Confident | 62.4 | Low | 0.75 Ų | 0.75 | 28.8 Ų | 28.8 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 174.4 | -3.2 | 0 | 0 | 0 | 0 | 112.4 | P3586 R3587 A3641 Y3645 P3881 I3882 I3883 L3887 V3888 Y3889 | P3586-T3885 HydrophobicContact CB-CG2 4.05Å; P3586-T3885 HydrophobicContact CG-CG2 3.49Å; P3586-T3885 VanDerWaalsContact CG-CG2 3.43Å; R3587-T3885 HydrophobicContact CB-CG2 4.49Å; A3641-T3885 HydrophobicContact CB-CG2 4.17Å; A3641-T3885 VanDerWaalsContact O-CG2 3.31Å; A3641-T3885 WeakPolarHBondContact O-CG2 3.37Å; Y3645-T3885 WeakPolarHBondContact CB-OG1 3.29Å; Y3645-T3885 HydrophobicContact CD2-CG2 3.92Å; Y3645-T3885 WeakPolarHBondContact CD2-OG1 3.48Å; Y3645-T3885 HydrophobicContact CG-CG2 4.24Å; P3881-T3885 VanDerWaalsContact O-CB 3.24Å; P3881-T3885 WeakPolarHBondContact O-CB 3.47Å; P3881-T3885 WeakPolarHBondContact O-CG2 3.35Å; P3881-T3885 PolarHBondContact O-N 3.24Å; P3881-T3885 PolarHBondContact O-OG1 2.98Å; P3881-T3885 VanDerWaalsContact O-OG1 3.06Å; I3882-T3885 VanDerWaalsContact C-OG1 3.28Å; I3882-T3885 VanDerWaalsContact CA-OG1 3.26Å; I3882-T3885 WeakPolarHBondContact CA-OG1 2.83Å; I3882-T3885 PolarHBondContact O-N 3.31Å; I3882-T3885 PolarHBondContact O-OG1 2.88Å; I3883-T3885 VanDerWaalsContact C-N 3.3Å; I3883-T3885 PolarHBondContact O-N 3.16Å; T3885-L3887 VanDerWaalsContact C-N 3.28Å; T3885-L3887 PolarHBondContact O-N 3.22Å; T3885-V3888 WeakPolarHBondContact O-CA 3.5Å; T3885-V3888 VanDerWaalsContact O-CB 3.3Å; T3885-V3888 WeakPolarHBondContact O-CB 3.43Å; T3885-V3888 PolarHBondContact O-N 3.11Å; T3885-V3888 VanDerWaalsContact O-N 3.08Å; T3885-Y3889 HydrophobicContact CG2-CD2 4.4Å; T3885-Y3889 HydrophobicContact CG2-CE2 3.97Å; T3885-Y3889 VanDerWaalsContact O-CD2 3.29Å; T3885-Y3889 WeakPolarHBondContact O-CD2 3.42Å; T3885-Y3889 PolarHBondContact O-N 3.07Å |
| 3886 | S | 69.3 | Low | 62.4 | Low | 2.25 Ų | 2.25 | 31 Ų | 31 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.1 | -36.3 | 178.4 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | I3882 I3883 Q3884 V3888 Y3889 C3890 | I3882-S3886 WeakPolarHBondContact O-CB 3.28Å; I3882-S3886 PolarHBondContact O-N 3.28Å; I3882-S3886 PolarHBondContact O-OG 3.24Å; I3883-S3886 WeakPolarHBondContact O-CB 3.37Å; I3883-S3886 PolarHBondContact O-N 3.36Å; I3883-S3886 VanDerWaalsContact O-N 3.15Å; Q3884-S3886 VanDerWaalsContact C-N 3.29Å; Q3884-S3886 PolarHBondContact O-N 3.18Å; S3886-V3888 VanDerWaalsContact C-N 3.29Å; S3886-V3888 PolarHBondContact O-N 3.05Å; S3886-Y3889 PolarHBondContact O-N 3.1Å; S3886-C3890 PolarHBondContact O-N 3.23Å; S3886-C3890 VanDerWaalsContact O-N 3.17Å; S3886-C3890 PolarHBondContact O-SG 3.25Å; S3886-C3890 VanDerWaalsContact O-SG 3.38Å |
| 3887 | L | 68.2 | Low | 62 | Low | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.5 | -28.4 | 173.3 | -65.6 | 172.3 | 0 | 0 | 0 | 113.1 | I3862 N3863 F3866 I3883 Q3884 T3885 C3890 N3891 L3900 | I3862-L3887 HydrophobicContact CB-CD1 3.86Å; I3862-L3887 HydrophobicContact CD1-CD1 4.18Å; I3862-L3887 HydrophobicContact CD1-CD2 3.9Å; I3862-L3887 HydrophobicContact CD1-CG 4.48Å; I3862-L3887 HydrophobicContact CG1-CD1 4.47Å; I3862-L3887 HydrophobicContact CG2-CD1 3.6Å; N3863-L3887 HydrophobicContact CB-CD1 4.31Å; F3866-L3887 HydrophobicContact CD2-CD1 4.11Å; F3866-L3887 HydrophobicContact CE2-CD1 3.74Å; I3883-L3887 HydrophobicContact CG2-CD1 4.23Å; I3883-L3887 WeakPolarHBondContact O-CG 3.22Å; I3883-L3887 PolarHBondContact O-N 2.96Å; I3883-L3887 VanDerWaalsContact O-N 3.09Å; Q3884-L3887 WeakPolarHBondContact O-CB 3.38Å; Q3884-L3887 PolarHBondContact O-N 3.25Å; T3885-L3887 VanDerWaalsContact C-N 3.28Å; T3885-L3887 PolarHBondContact O-N 3.22Å; L3887-C3890 PolarHBondContact O-N 2.98Å; L3887-N3891 WeakPolarHBondContact O-CB 3.48Å; L3887-N3891 VanDerWaalsContact O-CG 3.32Å; L3887-N3891 PolarHBondContact O-N 3.25Å; L3887-N3891 VanDerWaalsContact O-N 3.08Å; L3887-N3891 PolarHBondContact O-ND2 2.98Å; L3887-L3900 HydrophobicContact CD2-CD2 4.35Å |
| 3888 | V | 70.8 | Confident | 61.4 | Low | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.3 | -48.2 | 171.4 | 177.5 | 0 | 0 | 0 | 0 | 110.3 | V3640 A3641 V3644 L3784 Q3884 T3885 S3886 C3890 N3891 T3892 | V3640-V3888 HydrophobicContact CB-CG1 4.01Å; V3640-V3888 HydrophobicContact CG1-CG1 3.7Å; A3641-V3888 HydrophobicContact CB-CB 4.29Å; A3641-V3888 HydrophobicContact CB-CG1 4.1Å; V3644-V3888 HydrophobicContact CB-CG2 3.82Å; V3644-V3888 HydrophobicContact CG1-CG2 3.96Å; V3644-V3888 HydrophobicContact CG2-CG2 3.62Å; L3784-V3888 HydrophobicContact CD1-CB 4.46Å; L3784-V3888 HydrophobicContact CD1-CG1 4.29Å; L3784-V3888 HydrophobicContact CD1-CG2 4.27Å; L3784-V3888 HydrophobicContact CD2-CG2 4.31Å; Q3884-V3888 WeakPolarHBondContact O-CG2 3.34Å; Q3884-V3888 PolarHBondContact O-N 3.05Å; Q3884-V3888 VanDerWaalsContact O-N 3.16Å; T3885-V3888 WeakPolarHBondContact O-CA 3.5Å; T3885-V3888 VanDerWaalsContact O-CB 3.3Å; T3885-V3888 WeakPolarHBondContact O-CB 3.43Å; T3885-V3888 PolarHBondContact O-N 3.11Å; T3885-V3888 VanDerWaalsContact O-N 3.08Å; S3886-V3888 VanDerWaalsContact C-N 3.29Å; S3886-V3888 PolarHBondContact O-N 3.05Å; V3888-C3890 VanDerWaalsContact C-N 3.31Å; V3888-C3890 PolarHBondContact O-N 2.99Å; V3888-N3891 WeakPolarHBondContact O-CA 2.92Å; V3888-N3891 WeakPolarHBondContact O-CB 3.32Å; V3888-N3891 PolarHBondContact O-N 3.12Å; V3888-N3891 VanDerWaalsContact O-N 3.13Å; V3888-T3892 HydrophobicContact CG1-CG2 4.04Å; V3888-T3892 WeakPolarHBondContact O-CB 3.11Å; V3888-T3892 WeakPolarHBondContact O-CG2 3.34Å; V3888-T3892 PolarHBondContact O-N 3.19Å; V3888-T3892 PolarHBondContact O-OG1 3.21Å; V3888-T3892 VanDerWaalsContact O-OG1 3.08Å |
| 3889 | Y | 67 | Low | 60.9 | Low | 22.75 Ų | 22.75 | 31.1 Ų | 31.1 | 9% | 0.089 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.2 | -41 | 178.1 | -70.9 | -82 | 0 | 0 | 0 | 112 | G3585 R3587 T3637 D3638 A3641 T3885 S3886 N3891 T3892 C3893 | G3585-Y3889 WeakPolarHBondContact CA-OH 3.45Å; R3587-Y3889 HydrophobicContact CB-CD2 4.06Å; R3587-Y3889 HydrophobicContact CB-CE2 3.58Å; R3587-Y3889 HydrophobicContact CG-CD2 4.46Å; R3587-Y3889 HydrophobicContact CG-CE2 4.48Å; T3637-Y3889 HydrophobicContact CG2-CD1 3.44Å; T3637-Y3889 VanDerWaalsContact CG2-CD1 3.41Å; T3637-Y3889 HydrophobicContact CG2-CE1 3.59Å; T3637-Y3889 HydrophobicContact CG2-CG 4.14Å; D3638-Y3889 VanDerWaalsContact OD1-CE1 3.3Å; D3638-Y3889 WeakPolarHBondContact OD1-CE1 3.31Å; D3638-Y3889 PolarHBondContact OD1-OH 3.04Å; D3638-Y3889 VanDerWaalsContact OD1-OH 3.05Å; A3641-Y3889 HydrophobicContact CB-CD2 4.31Å; A3641-Y3889 HydrophobicContact CB-CE2 3.62Å; A3641-Y3889 VanDerWaalsContact CB-CE2 3.45Å; T3885-Y3889 HydrophobicContact CG2-CD2 4.4Å; T3885-Y3889 HydrophobicContact CG2-CE2 3.97Å; T3885-Y3889 VanDerWaalsContact O-CD2 3.29Å; T3885-Y3889 WeakPolarHBondContact O-CD2 3.42Å; T3885-Y3889 PolarHBondContact O-N 3.07Å; S3886-Y3889 PolarHBondContact O-N 3.1Å; Y3889-N3891 VanDerWaalsContact C-N 3.28Å; Y3889-N3891 PolarHBondContact O-N 3.02Å; Y3889-T3892 PolarHBondContact O-N 3.23Å; Y3889-T3892 PolarHBondContact O-OG1 2.96Å; Y3889-C3893 WeakPolarHBondContact O-CB 3.42Å; Y3889-C3893 PolarHBondContact O-N 3.1Å; Y3889-C3893 VanDerWaalsContact O-N 3.1Å; Y3889-C3893 PolarHBondContact O-SG 2.94Å |
| 3890 | C | 62.1 | Low | 60.4 | Low | 13 Ų | 13 | 31.1 Ų | 31.1 | 9% | 0.088 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.3 | -39.1 | 173.4 | -62.1 | 0 | 0 | 0 | 0 | 112.5 | S3859 S3886 L3887 V3888 E3894 | S3859-C3890 WeakPolarHBondContact OG-CB 3.42Å; S3886-C3890 PolarHBondContact O-N 3.23Å; S3886-C3890 VanDerWaalsContact O-N 3.17Å; S3886-C3890 PolarHBondContact O-SG 3.25Å; S3886-C3890 VanDerWaalsContact O-SG 3.38Å; L3887-C3890 PolarHBondContact O-N 2.98Å; V3888-C3890 VanDerWaalsContact C-N 3.31Å; V3888-C3890 PolarHBondContact O-N 2.99Å; C3890-E3894 PolarHBondContact O-N 3.34Å |
| 3891 | N | 62.1 | Low | 59.5 | Low | 3.25 Ų | 3.25 | 33.7 Ų | 33.7 | 2% | 0.017 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -74 | -36.3 | -179.3 | -82.3 | -55.8 | 0 | 0 | 0 | 113.7 | R3780 L3784 S3859 S3860 L3887 V3888 Y3889 | R3780-N3891 PolarHBondContact NH1-O 3.38Å; R3780-N3891 VanDerWaalsContact NH1-O 3.14Å; L3784-N3891 HydrophobicContact CD1-CB 3.95Å; S3859-N3891 VanDerWaalsContact CB-ND2 3.26Å; S3859-N3891 WeakPolarHBondContact CB-ND2 3.38Å; S3859-N3891 WeakPolarHBondContact CB-OD1 3.35Å; S3859-N3891 PolarHBondContact N-OD1 3.27Å; S3859-N3891 PolarHBondContact OG-ND2 2.98Å; S3859-N3891 PolarHBondContact OG-OD1 3.2Å; S3860-N3891 PolarHBondContact N-ND2 3.23Å; S3860-N3891 VanDerWaalsContact N-ND2 3.12Å; S3860-N3891 PolarHBondContact N-OD1 2.95Å; S3860-N3891 PolarHBondContact OG-ND2 3.4Å; S3860-N3891 PolarHBondContact OG-OD1 3.12Å; L3887-N3891 WeakPolarHBondContact O-CB 3.48Å; L3887-N3891 VanDerWaalsContact O-CG 3.32Å; L3887-N3891 PolarHBondContact O-N 3.25Å; L3887-N3891 VanDerWaalsContact O-N 3.08Å; L3887-N3891 PolarHBondContact O-ND2 2.98Å; V3888-N3891 WeakPolarHBondContact O-CA 2.92Å; V3888-N3891 WeakPolarHBondContact O-CB 3.32Å; V3888-N3891 PolarHBondContact O-N 3.12Å; V3888-N3891 VanDerWaalsContact O-N 3.13Å; Y3889-N3891 VanDerWaalsContact C-N 3.28Å; Y3889-N3891 PolarHBondContact O-N 3.02Å |
| 3892 | T | 61.8 | Low | 58.5 | Low | 17.25 Ų | 17.25 | 35 Ų | 35 | 11% | 0.106 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -92.1 | -32.4 | -171.6 | 55.3 | 0 | 0 | 0 | 0 | 113.2 | T3637 Q3777 V3781 V3888 Y3889 E3894 | T3637-T3892 WeakPolarHBondContact CB-OG1 3.5Å; T3637-T3892 HydrophobicContact CG2-CG2 4.26Å; T3637-T3892 WeakPolarHBondContact CG2-OG1 3.38Å; T3637-T3892 VanDerWaalsContact OG1-CB 3.28Å; T3637-T3892 WeakPolarHBondContact OG1-CB 3.33Å; T3637-T3892 PolarHBondContact OG1-OG1 3.13Å; T3637-T3892 VanDerWaalsContact OG1-OG1 3.1Å; Q3777-T3892 PolarHBondContact NE2-O 2.85Å; Q3777-T3892 VanDerWaalsContact NE2-O 3.12Å; V3781-T3892 HydrophobicContact CG2-CG2 4.44Å; V3888-T3892 HydrophobicContact CG1-CG2 4.04Å; V3888-T3892 WeakPolarHBondContact O-CB 3.11Å; V3888-T3892 WeakPolarHBondContact O-CG2 3.34Å; V3888-T3892 PolarHBondContact O-N 3.19Å; V3888-T3892 PolarHBondContact O-OG1 3.21Å; V3888-T3892 VanDerWaalsContact O-OG1 3.08Å; Y3889-T3892 PolarHBondContact O-N 3.23Å; Y3889-T3892 PolarHBondContact O-OG1 2.96Å; T3892-E3894 VanDerWaalsContact C-N 3.32Å; T3892-E3894 PolarHBondContact O-N 3.04Å |
| 3893 | C | 57 | Low | 57.7 | Low | 41.75 Ų | 41.75 | 34.9 Ų | 34.9 | 28% | 0.282 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -90.2 | 1.2 | -177.8 | -60.8 | 0 | 0 | 0 | 0 | 113.8 | V3628 Y3889 E3895 F3899 | V3628-C3893 HydrophobicContact CG1-CB 4.09Å; V3628-C3893 HydrophobicContact CG2-CB 4.26Å; Y3889-C3893 WeakPolarHBondContact O-CB 3.42Å; Y3889-C3893 PolarHBondContact O-N 3.1Å; Y3889-C3893 VanDerWaalsContact O-N 3.1Å; Y3889-C3893 PolarHBondContact O-SG 2.94Å; C3893-E3895 HydrophobicContact CB-CB 4.42Å; C3893-E3895 HydrophobicContact CB-CG 3.84Å; C3893-E3895 PolarHBondContact O-N 3.27Å; C3893-E3895 VanDerWaalsContact O-N 3.17Å; C3893-F3899 HydrophobicContact CB-CE2 4.45Å |
| 3894 | E | 49.7 | Very low | 57 | Low | 71.5 Ų | 71.5 | 35 Ų | 35 | 33% | 0.334 | 18% | 0.181 | S | C | . | . | trans | 56.4 | 7.3 | -175 | -62.4 | -165.5 | 152 | 0 | 0 | 115.9 | K3773 R3780 H3804 R3856 C3890 T3892 L3896 | K3773-E3894 WeakPolarHBondContact CE-OE1 3.31Å; K3773-E3894 WeakPolarHBondContact CE-OE2 3.34Å; K3773-E3894 IonicContact NZ-OE1 2.94Å; K3773-E3894 PolarHBondContact NZ-OE1 3.23Å; K3773-E3894 IonicContact NZ-OE2 3.29Å; K3773-E3894 PolarHBondContact NZ-OE2 3.14Å; R3780-E3894 IonicContact NH1-OE1 3.89Å; R3780-E3894 PolarHBondContact NH1-OE1 2.89Å; H3804-E3894 IonicContact CE1-OE1 2.78Å; R3856-E3894 IonicContact CZ-OE2 2.63Å; R3856-E3894 IonicContact NH1-OE1 2.68Å; R3856-E3894 IonicContact NH1-OE2 3.74Å; R3856-E3894 VanDerWaalsContact NH2-CD 3.26Å; R3856-E3894 IonicContact NH2-OE1 3.65Å; R3856-E3894 IonicContact NH2-OE2 3.88Å; R3856-E3894 PolarHBondContact NH2-OE2 2.96Å; C3890-E3894 PolarHBondContact O-N 3.34Å; T3892-E3894 VanDerWaalsContact C-N 3.32Å; T3892-E3894 PolarHBondContact O-N 3.04Å; E3894-L3896 PolarHBondContact O-N 3.24Å | ||
| 3895 | E | 44.8 | Very low | 56.4 | Low | 93.5 Ų | 93.5 | 43.1 Ų | 43.1 | 44% | 0.437 | 21% | 0.211 | S | C | . | . | trans | -85.8 | 117.2 | 177.3 | -74 | -176.4 | 176.4 | 0 | 0 | 111.5 | R3587 C3893 I3897 F3899 | R3587-E3895 IonicContact CZ-OE2 2.69Å; R3587-E3895 IonicContact NH1-OE2 2.73Å; R3587-E3895 PolarHBondContact NH1-OE2 2.75Å; R3587-E3895 IonicContact NH2-OE2 3.31Å; C3893-E3895 HydrophobicContact CB-CB 4.42Å; C3893-E3895 HydrophobicContact CB-CG 3.84Å; C3893-E3895 PolarHBondContact O-N 3.27Å; C3893-E3895 VanDerWaalsContact O-N 3.17Å; E3895-I3897 PolarHBondContact O-N 2.92Å; E3895-F3899 HydrophobicContact CB-CD2 4.03Å; E3895-F3899 HydrophobicContact CB-CE2 3.96Å; E3895-F3899 HydrophobicContact CB-CG 4.2Å; E3895-F3899 HydrophobicContact CG-CD2 3.96Å; E3895-F3899 HydrophobicContact CG-CE2 4.12Å; E3895-F3899 HydrophobicContact CG-CG 4.43Å; E3895-F3899 HydrophobicContact CG-CZ 4.49Å; E3895-F3899 VanDerWaalsContact OE2-CE2 3.31Å; E3895-F3899 WeakPolarHBondContact OE2-CE2 3.33Å; E3895-F3899 VanDerWaalsContact OE2-CZ 3.22Å; E3895-F3899 WeakPolarHBondContact OE2-CZ 3.44Å | ||
| 3896 | L | 44.8 | Very low | 55.6 | Low | 81.75 Ų | 81.75 | 46.6 Ų | 46.6 | 43% | 0.428 | 23% | 0.227 | S | C | . | . | trans | -54.8 | 154.8 | -172.6 | -95.9 | 149.8 | 0 | 0 | 0 | 114.5 | D3855 S3859 E3894 N3898 F3899 | D3855-L3896 HydrophobicContact CB-CD2 4.07Å; S3859-L3896 WeakPolarHBondContact OG-CD2 3.41Å; E3894-L3896 PolarHBondContact O-N 3.24Å; L3896-N3898 HydrophobicContact CB-CB 4.42Å; L3896-N3898 WeakPolarHBondContact O-CA 3.18Å; L3896-N3898 PolarHBondContact O-N 3.15Å; L3896-F3899 WeakPolarHBondContact O-CB 3.34Å; L3896-F3899 PolarHBondContact O-N 2.93Å; L3896-F3899 VanDerWaalsContact O-N 3.13Å | ||
| 3897 | I | 43.3 | Very low | 54.9 | Low | 69 Ų | 69 | 46.9 Ų | 46.9 | 35% | 0.354 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -55.6 | -27.2 | 175.1 | -71 | 170.3 | 0 | 0 | 0 | 114.2 | D3855 D3858 E3895 F3899 L3900 | D3855-I3897 HydrophobicContact CB-CD1 4.35Å; D3858-I3897 HydrophobicContact CB-CD1 4.03Å; D3858-I3897 HydrophobicContact CB-CG1 4.45Å; D3858-I3897 WeakPolarHBondContact OD2-CD1 3.04Å; E3895-I3897 PolarHBondContact O-N 2.92Å; I3897-F3899 VanDerWaalsContact C-N 3.32Å; I3897-F3899 PolarHBondContact O-N 2.98Å; I3897-L3900 HydrophobicContact CG2-CD1 4.14Å; I3897-L3900 VanDerWaalsContact O-CB 3.31Å; I3897-L3900 WeakPolarHBondContact O-CB 3.26Å; I3897-L3900 WeakPolarHBondContact O-CG 3.36Å; I3897-L3900 PolarHBondContact O-N 3.15Å |
| 3898 | N | 42.9 | Very low | 54.4 | Low | 109 Ų | 109 | 49.5 Ų | 49.5 | 58% | 0.583 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -54.1 | -26.3 | 173.1 | -71.5 | -15.7 | 0 | 0 | 0 | 113.6 | L3896 L3900 N3901 I3902 | L3896-N3898 HydrophobicContact CB-CB 4.42Å; L3896-N3898 WeakPolarHBondContact O-CA 3.18Å; L3896-N3898 PolarHBondContact O-N 3.15Å; N3898-L3900 VanDerWaalsContact C-N 3.32Å; N3898-L3900 PolarHBondContact O-N 3.12Å; N3898-N3901 WeakPolarHBondContact O-CA 3.46Å; N3898-N3901 WeakPolarHBondContact O-CB 3.24Å; N3898-N3901 VanDerWaalsContact O-CG 3.31Å; N3898-N3901 PolarHBondContact O-N 3.14Å; N3898-N3901 PolarHBondContact O-ND2 3.09Å; N3898-N3901 VanDerWaalsContact O-ND2 3.16Å; N3898-I3902 PolarHBondContact O-N 3.48Å |
| 3899 | F | 49.2 | Very low | 53.9 | Low | 55.75 Ų | 55.75 | 55 Ų | 55 | 25% | 0.245 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -71.1 | -18.8 | 175.6 | -91.1 | -86 | 0 | 0 | 0 | 114.7 | R3587 C3893 E3895 L3896 I3897 N3901 I3902 | R3587-F3899 PolarHBondContact NH2-O 2.98Å; C3893-F3899 HydrophobicContact CB-CE2 4.45Å; E3895-F3899 HydrophobicContact CB-CD2 4.03Å; E3895-F3899 HydrophobicContact CB-CE2 3.96Å; E3895-F3899 HydrophobicContact CB-CG 4.2Å; E3895-F3899 HydrophobicContact CG-CD2 3.96Å; E3895-F3899 HydrophobicContact CG-CE2 4.12Å; E3895-F3899 HydrophobicContact CG-CG 4.43Å; E3895-F3899 HydrophobicContact CG-CZ 4.49Å; E3895-F3899 VanDerWaalsContact OE2-CE2 3.31Å; E3895-F3899 WeakPolarHBondContact OE2-CE2 3.33Å; E3895-F3899 VanDerWaalsContact OE2-CZ 3.22Å; E3895-F3899 WeakPolarHBondContact OE2-CZ 3.44Å; L3896-F3899 WeakPolarHBondContact O-CB 3.34Å; L3896-F3899 PolarHBondContact O-N 2.93Å; L3896-F3899 VanDerWaalsContact O-N 3.13Å; I3897-F3899 VanDerWaalsContact C-N 3.32Å; I3897-F3899 PolarHBondContact O-N 2.98Å; F3899-N3901 VanDerWaalsContact C-N 3.31Å; F3899-N3901 PolarHBondContact O-N 3.15Å; F3899-N3901 VanDerWaalsContact O-N 3.12Å; F3899-I3902 HydrophobicContact CD1-CD1 3.44Å; F3899-I3902 HydrophobicContact CD1-CG1 4.07Å; F3899-I3902 HydrophobicContact CD2-CD1 4.31Å; F3899-I3902 HydrophobicContact CE1-CD1 3.56Å; F3899-I3902 VanDerWaalsContact CE1-CD1 3.4Å; F3899-I3902 HydrophobicContact CE1-CG1 4.42Å; F3899-I3902 HydrophobicContact CE2-CD1 4.19Å; F3899-I3902 HydrophobicContact CG-CD1 4.23Å; F3899-I3902 HydrophobicContact CZ-CD1 4.05Å; F3899-I3902 VanDerWaalsContact O-CB 3.27Å; F3899-I3902 WeakPolarHBondContact O-CB 3.37Å; F3899-I3902 PolarHBondContact O-N 3.09Å |
| 3900 | L | 52.4 | Low | 53.3 | Low | 24 Ų | 24 | 59.4 Ų | 59.4 | 13% | 0.126 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -64.5 | -21.7 | 165.8 | -71.8 | 170.2 | 0 | 0 | 0 | 111.2 | L3887 I3897 N3898 I3902 L3903 R3908 L3911 L3961 | L3887-L3900 HydrophobicContact CD2-CD2 4.35Å; I3897-L3900 HydrophobicContact CG2-CD1 4.14Å; I3897-L3900 VanDerWaalsContact O-CB 3.31Å; I3897-L3900 WeakPolarHBondContact O-CB 3.26Å; I3897-L3900 WeakPolarHBondContact O-CG 3.36Å; I3897-L3900 PolarHBondContact O-N 3.15Å; N3898-L3900 VanDerWaalsContact C-N 3.32Å; N3898-L3900 PolarHBondContact O-N 3.12Å; L3900-I3902 PolarHBondContact O-N 2.99Å; L3900-L3903 HydrophobicContact CD2-CD1 3.78Å; L3900-L3903 WeakPolarHBondContact O-CB 3.32Å; L3900-L3903 PolarHBondContact O-N 3.11Å; L3900-L3903 VanDerWaalsContact O-N 3.11Å; L3900-R3908 PolarHBondContact O-NE 3.2Å; L3900-R3908 VanDerWaalsContact O-NE 3.13Å; L3900-L3911 HydrophobicContact CD2-CD1 4.31Å; L3900-L3911 HydrophobicContact CD2-CD2 4.26Å; L3900-L3961 HydrophobicContact CD1-CD2 3.65Å |
| 3901 | N | 49.7 | Very low | 53.1 | Low | 78.5 Ų | 78.5 | 59.1 Ų | 59.1 | 42% | 0.42 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -71.9 | -9.9 | 172.3 | -63.2 | -37.1 | 0 | 0 | 0 | 114.3 | N3898 F3899 R3908 | N3898-N3901 WeakPolarHBondContact O-CA 3.46Å; N3898-N3901 WeakPolarHBondContact O-CB 3.24Å; N3898-N3901 VanDerWaalsContact O-CG 3.31Å; N3898-N3901 PolarHBondContact O-N 3.14Å; N3898-N3901 PolarHBondContact O-ND2 3.09Å; N3898-N3901 VanDerWaalsContact O-ND2 3.16Å; F3899-N3901 VanDerWaalsContact C-N 3.31Å; F3899-N3901 PolarHBondContact O-N 3.15Å; F3899-N3901 VanDerWaalsContact O-N 3.12Å; N3901-R3908 VanDerWaalsContact C-NH2 3.28Å; N3901-R3908 VanDerWaalsContact CA-CZ 3.42Å; N3901-R3908 VanDerWaalsContact CA-NH2 3.32Å; N3901-R3908 PolarHBondContact O-NH2 3.1Å; N3901-R3908 PolarHBondContact OD1-NH1 3.14Å |
| 3902 | I | 51.3 | Low | 53 | Low | 29.25 Ų | 29.25 | 61 Ų | 61 | 15% | 0.15 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -86 | -16.7 | 172.4 | -62.1 | -174.6 | 0 | 0 | 0 | 111.4 | R3587 I3591 S3617 Y3620 N3898 F3899 L3900 | R3587-I3902 VanDerWaalsContact NH2-CB 3.27Å; I3591-I3902 HydrophobicContact CD1-CG2 4.04Å; S3617-I3902 VanDerWaalsContact CB-O 3.23Å; S3617-I3902 WeakPolarHBondContact CB-O 3.16Å; S3617-I3902 VanDerWaalsContact OG-CD1 3.27Å; S3617-I3902 WeakPolarHBondContact OG-CD1 3.42Å; S3617-I3902 VanDerWaalsContact OG-CG1 3.24Å; S3617-I3902 WeakPolarHBondContact OG-CG1 3.22Å; S3617-I3902 WeakPolarHBondContact OG-CG2 3.38Å; Y3620-I3902 HydrophobicContact CD2-CD1 4.41Å; Y3620-I3902 HydrophobicContact CD2-CG2 4.4Å; Y3620-I3902 HydrophobicContact CE2-CD1 4.4Å; N3898-I3902 PolarHBondContact O-N 3.48Å; F3899-I3902 HydrophobicContact CD1-CD1 3.44Å; F3899-I3902 HydrophobicContact CD1-CG1 4.07Å; F3899-I3902 HydrophobicContact CD2-CD1 4.31Å; F3899-I3902 HydrophobicContact CE1-CD1 3.56Å; F3899-I3902 VanDerWaalsContact CE1-CD1 3.4Å; F3899-I3902 HydrophobicContact CE1-CG1 4.42Å; F3899-I3902 HydrophobicContact CE2-CD1 4.19Å; F3899-I3902 HydrophobicContact CG-CD1 4.23Å; F3899-I3902 HydrophobicContact CZ-CD1 4.05Å; F3899-I3902 VanDerWaalsContact O-CB 3.27Å; F3899-I3902 WeakPolarHBondContact O-CB 3.37Å; F3899-I3902 PolarHBondContact O-N 3.09Å; L3900-I3902 PolarHBondContact O-N 2.99Å |
| 3903 | L | 54.3 | Low | 52.8 | Low | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -66 | 135.6 | 170.6 | -71.8 | 170.7 | 0 | 0 | 0 | 109.3 | W3590 I3882 L3900 R3905 C3907 R3908 L3911 | W3590-L3903 HydrophobicContact CH2-CD2 4.1Å; W3590-L3903 HydrophobicContact CZ3-CD2 4.02Å; I3882-L3903 HydrophobicContact CG2-CD2 4.49Å; L3900-L3903 HydrophobicContact CD2-CD1 3.78Å; L3900-L3903 WeakPolarHBondContact O-CB 3.32Å; L3900-L3903 PolarHBondContact O-N 3.11Å; L3900-L3903 VanDerWaalsContact O-N 3.11Å; L3903-R3905 PolarHBondContact O-N 2.82Å; L3903-C3907 HydrophobicContact CB-CB 4.37Å; L3903-R3908 PolarHBondContact O-NH2 3.15Å; L3903-L3911 HydrophobicContact CD1-CD1 4.11Å; L3903-L3911 HydrophobicContact CD1-CD2 4.39Å |
| 3904 | P | 53.3 | Low | 52.9 | Low | 8.75 Ų | 8.75 | 61.9 Ų | 61.9 | 6% | 0.057 | 30% | 0.3 | C | S | . | . | trans | -46.3 | 144.3 | 171.2 | -29 | 34.8 | 0 | 0 | 0 | 111.4 | W3590 E3614 H3906 C3907 R3908 | W3590-P3904 HydrophobicContact CH2-CG 3.71Å; W3590-P3904 VanDerWaalsContact CZ3-CD 3.46Å; W3590-P3904 HydrophobicContact CZ3-CG 3.85Å; E3614-P3904 HydrophobicContact CG-CB 4.19Å; P3904-H3906 VanDerWaalsContact CB-CE1 3.48Å; P3904-H3906 WeakPolarHBondContact CB-CE1 3.25Å; P3904-H3906 WeakPolarHBondContact CB-ND1 3.38Å; P3904-H3906 PolarHBondContact O-N 3.33Å; P3904-H3906 VanDerWaalsContact O-N 3.1Å; P3904-C3907 PolarHBondContact O-N 3.11Å; P3904-C3907 VanDerWaalsContact O-N 3.17Å; P3904-R3908 PolarHBondContact O-N 3.21Å; P3904-R3908 VanDerWaalsContact O-N 3.07Å | ||
| 3905 | R | 57.2 | Low | 53.4 | Low | 174.25 Ų | 174.25 | 59 Ų | 59 | 66% | 0.658 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -55.6 | -39.1 | -171.6 | -149.9 | 178.9 | 178 | 178 | 0.4 | 112.3 | E3614 L3903 C3907 R3908 Q3909 | E3614-R3905 PolarHBondContact OE1-N 2.88Å; L3903-R3905 PolarHBondContact O-N 2.82Å; R3905-C3907 VanDerWaalsContact C-N 3.34Å; R3905-C3907 PolarHBondContact O-N 2.95Å; R3905-R3908 PolarHBondContact O-N 3.04Å; R3905-Q3909 HydrophobicContact CG-CG 4.42Å; R3905-Q3909 WeakPolarHBondContact O-CB 3.34Å; R3905-Q3909 VanDerWaalsContact O-CG 3.27Å; R3905-Q3909 WeakPolarHBondContact O-CG 3.4Å; R3905-Q3909 PolarHBondContact O-N 3.3Å |
| 3906 | H | 56.3 | Low | 54.1 | Low | 73.25 Ų | 73.25 | 56 Ų | 56 | 34% | 0.339 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 177.1 | 66.3 | -89.6 | 0 | 0 | 0 | 112 | P3904 R3908 Q3909 H3910 | P3904-H3906 VanDerWaalsContact CB-CE1 3.48Å; P3904-H3906 WeakPolarHBondContact CB-CE1 3.25Å; P3904-H3906 WeakPolarHBondContact CB-ND1 3.38Å; P3904-H3906 PolarHBondContact O-N 3.33Å; P3904-H3906 VanDerWaalsContact O-N 3.1Å; H3906-R3908 VanDerWaalsContact C-N 3.31Å; H3906-R3908 PolarHBondContact O-N 3Å; H3906-Q3909 PolarHBondContact O-N 3.23Å; H3906-H3910 WeakPolarHBondContact O-CB 3.29Å; H3906-H3910 PolarHBondContact O-CD2 3Å; H3906-H3910 VanDerWaalsContact O-CD2 3.3Å; H3906-H3910 PolarHBondContact O-N 3.19Å |
| 3907 | C | 54.4 | Low | 54.8 | Low | 10.25 Ų | 10.25 | 55.8 Ų | 55.8 | 7% | 0.069 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 177.7 | -80.5 | 0 | 0 | 0 | 0 | 112.2 | W3590 L3903 P3904 R3905 H3910 L3911 | W3590-C3907 HydrophobicContact CH2-CB 4.23Å; W3590-C3907 WeakPolarHBondContact CH2-SG 3.49Å; W3590-C3907 WeakPolarHBondContact CZ2-SG 3.43Å; L3903-C3907 HydrophobicContact CB-CB 4.37Å; P3904-C3907 PolarHBondContact O-N 3.11Å; P3904-C3907 VanDerWaalsContact O-N 3.17Å; R3905-C3907 VanDerWaalsContact C-N 3.34Å; R3905-C3907 PolarHBondContact O-N 2.95Å; C3907-H3910 PolarHBondContact O-N 3.2Å; C3907-L3911 VanDerWaalsContact O-CB 3.28Å; C3907-L3911 WeakPolarHBondContact O-CB 3.39Å; C3907-L3911 PolarHBondContact O-N 3.24Å |
| 3908 | R | 58.6 | Low | 55.4 | Low | 57 Ų | 57 | 53 Ų | 53 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 175.5 | -164.4 | -175.2 | -43.4 | 160.6 | 20.2 | 112 | L3900 N3901 L3903 P3904 R3905 H3906 L3911 N3912 | L3900-R3908 PolarHBondContact O-NE 3.2Å; L3900-R3908 VanDerWaalsContact O-NE 3.13Å; N3901-R3908 VanDerWaalsContact C-NH2 3.28Å; N3901-R3908 VanDerWaalsContact CA-CZ 3.42Å; N3901-R3908 VanDerWaalsContact CA-NH2 3.32Å; N3901-R3908 PolarHBondContact O-NH2 3.1Å; N3901-R3908 PolarHBondContact OD1-NH1 3.14Å; L3903-R3908 PolarHBondContact O-NH2 3.15Å; P3904-R3908 PolarHBondContact O-N 3.21Å; P3904-R3908 VanDerWaalsContact O-N 3.07Å; R3905-R3908 PolarHBondContact O-N 3.04Å; H3906-R3908 VanDerWaalsContact C-N 3.31Å; H3906-R3908 PolarHBondContact O-N 3Å; R3908-L3911 PolarHBondContact O-N 3.12Å; R3908-N3912 VanDerWaalsContact O-CB 3.3Å; R3908-N3912 WeakPolarHBondContact O-CB 3.41Å; R3908-N3912 VanDerWaalsContact O-CG 3.25Å; R3908-N3912 PolarHBondContact O-N 3.13Å; R3908-N3912 PolarHBondContact O-ND2 2.86Å |
| 3909 | Q | 59.3 | Low | 56.3 | Low | 115.5 Ų | 115.5 | 48.8 Ų | 48.8 | 54% | 0.54 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.8 | -44 | 175.7 | -75.6 | 174.6 | -14.6 | 0 | 0 | 111.4 | R3905 H3906 N3912 A3913 | R3905-Q3909 HydrophobicContact CG-CG 4.42Å; R3905-Q3909 WeakPolarHBondContact O-CB 3.34Å; R3905-Q3909 VanDerWaalsContact O-CG 3.27Å; R3905-Q3909 WeakPolarHBondContact O-CG 3.4Å; R3905-Q3909 PolarHBondContact O-N 3.3Å; H3906-Q3909 PolarHBondContact O-N 3.23Å; Q3909-N3912 PolarHBondContact O-N 2.94Å; Q3909-A3913 VanDerWaalsContact O-CB 3.27Å; Q3909-A3913 WeakPolarHBondContact O-CB 3.42Å; Q3909-A3913 PolarHBondContact O-N 3.1Å |
| 3910 | H | 55.1 | Low | 56.8 | Low | 115.75 Ų | 115.75 | 47 Ų | 47 | 54% | 0.536 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.4 | -45 | 174.4 | -80.4 | -58.4 | 0 | 0 | 0 | 112.2 | H3906 C3907 N3912 A3913 Y3914 | H3906-H3910 WeakPolarHBondContact O-CB 3.29Å; H3906-H3910 PolarHBondContact O-CD2 3Å; H3906-H3910 VanDerWaalsContact O-CD2 3.3Å; H3906-H3910 PolarHBondContact O-N 3.19Å; C3907-H3910 PolarHBondContact O-N 3.2Å; H3910-N3912 PolarHBondContact O-N 3.06Å; H3910-A3913 PolarHBondContact O-N 3.21Å; H3910-Y3914 WeakPolarHBondContact O-CB 3.37Å; H3910-Y3914 PolarHBondContact O-N 3.23Å |
| 3911 | L | 58.2 | Low | 57.1 | Low | 7.25 Ų | 7.25 | 48.1 Ų | 48.1 | 4% | 0.038 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60 | -47.3 | 176 | -175.5 | 103.6 | 0 | 0 | 0 | 111.1 | F3866 I3883 L3900 L3903 C3907 R3908 Y3914 L3915 | F3866-L3911 HydrophobicContact CZ-CD1 4.2Å; I3883-L3911 HydrophobicContact CB-CD1 3.96Å; I3883-L3911 HydrophobicContact CD1-CB 4.41Å; I3883-L3911 HydrophobicContact CD1-CD1 4.04Å; I3883-L3911 HydrophobicContact CD1-CG 3.83Å; I3883-L3911 HydrophobicContact CG1-CD1 3.93Å; I3883-L3911 HydrophobicContact CG1-CG 4.06Å; I3883-L3911 HydrophobicContact CG2-CD1 3.59Å; I3883-L3911 HydrophobicContact CG2-CD2 4.32Å; I3883-L3911 HydrophobicContact CG2-CG 4.19Å; L3900-L3911 HydrophobicContact CD2-CD1 4.31Å; L3900-L3911 HydrophobicContact CD2-CD2 4.26Å; L3903-L3911 HydrophobicContact CD1-CD1 4.11Å; L3903-L3911 HydrophobicContact CD1-CD2 4.39Å; C3907-L3911 VanDerWaalsContact O-CB 3.28Å; C3907-L3911 WeakPolarHBondContact O-CB 3.39Å; C3907-L3911 PolarHBondContact O-N 3.24Å; R3908-L3911 PolarHBondContact O-N 3.12Å; L3911-Y3914 WeakPolarHBondContact O-CB 3.31Å; L3911-Y3914 PolarHBondContact O-N 3Å; L3911-L3915 HydrophobicContact CD1-CD1 4.27Å; L3911-L3915 HydrophobicContact CD1-CG 4.27Å; L3911-L3915 HydrophobicContact CD2-CD1 3.42Å; L3911-L3915 HydrophobicContact CD2-CG 3.87Å; L3911-L3915 HydrophobicContact CG-CD1 3.99Å; L3911-L3915 HydrophobicContact CG-CG 4.45Å; L3911-L3915 WeakPolarHBondContact O-CB 3.33Å; L3911-L3915 VanDerWaalsContact O-CG 3.28Å; L3911-L3915 WeakPolarHBondContact O-CG 3.35Å; L3911-L3915 PolarHBondContact O-N 3.07Å |
| 3912 | N | 59.6 | Low | 57.5 | Low | 42.75 Ų | 42.75 | 45.3 Ų | 45.3 | 23% | 0.229 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.1 | -45.3 | 178.8 | -74.5 | -10.6 | 0 | 0 | 0 | 112.1 | R3908 Q3909 H3910 Y3914 L3915 Y3916 P3963 | R3908-N3912 VanDerWaalsContact O-CB 3.3Å; R3908-N3912 WeakPolarHBondContact O-CB 3.41Å; R3908-N3912 VanDerWaalsContact O-CG 3.25Å; R3908-N3912 PolarHBondContact O-N 3.13Å; R3908-N3912 PolarHBondContact O-ND2 2.86Å; Q3909-N3912 PolarHBondContact O-N 2.94Å; H3910-N3912 PolarHBondContact O-N 3.06Å; N3912-Y3914 VanDerWaalsContact C-N 3.29Å; N3912-Y3914 PolarHBondContact O-N 3.43Å; N3912-L3915 PolarHBondContact O-N 3.14Å; N3912-Y3916 HydrophobicContact CB-CE2 4.06Å; N3912-Y3916 VanDerWaalsContact O-CB 3.27Å; N3912-Y3916 WeakPolarHBondContact O-CB 3.3Å; N3912-Y3916 WeakPolarHBondContact O-CD2 3.2Å; N3912-Y3916 VanDerWaalsContact O-CG 3.26Å; N3912-Y3916 PolarHBondContact O-N 3.15Å; N3912-P3963 VanDerWaalsContact ND2-CD 3.31Å; N3912-P3963 WeakPolarHBondContact ND2-CD 3.44Å |
| 3913 | A | 58 | Low | 57.9 | Low | 50.25 Ų | 50.25 | 44.8 Ų | 44.8 | 42% | 0.415 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.1 | -40.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q3909 H3910 Y3916 Q3917 | Q3909-A3913 VanDerWaalsContact O-CB 3.27Å; Q3909-A3913 WeakPolarHBondContact O-CB 3.42Å; Q3909-A3913 PolarHBondContact O-N 3.1Å; H3910-A3913 PolarHBondContact O-N 3.21Å; A3913-Y3916 WeakPolarHBondContact O-CB 3.2Å; A3913-Y3916 PolarHBondContact O-N 3.03Å; A3913-Q3917 VanDerWaalsContact O-CB 3.3Å; A3913-Q3917 WeakPolarHBondContact O-CB 3.4Å; A3913-Q3917 PolarHBondContact O-N 3.36Å |
| 3914 | Y | 57.9 | Low | 58.2 | Low | 28.5 Ų | 28.5 | 49.7 Ų | 49.7 | 11% | 0.112 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.2 | -48.8 | 177.1 | 174.3 | -106 | 0 | 0 | 0 | 112.8 | F3866 F3871 L3875 M3880 H3910 L3911 N3912 Y3916 Q3917 L3918 | F3866-Y3914 HydrophobicContact CD1-CE1 4.23Å; F3866-Y3914 HydrophobicContact CE1-CD1 4.2Å; F3866-Y3914 AromaticContact CE1-CE1 3.59Å; F3866-Y3914 HydrophobicContact CE1-CE1 3.59Å; F3866-Y3914 VanDerWaalsContact CE1-CE1 3.42Å; F3866-Y3914 HydrophobicContact CZ-CE1 4.24Å; F3871-Y3914 AromaticContact CD1-CE1 3.88Å; F3871-Y3914 HydrophobicContact CD1-CE1 4.16Å; F3871-Y3914 AromaticContact CD1-CE2 3.95Å; F3871-Y3914 HydrophobicContact CD1-CE2 4.13Å; F3871-Y3914 AromaticContact CD1-CZ 3.72Å; F3871-Y3914 WeakPolarHBondContact CD1-OH 3.36Å; F3871-Y3914 HydrophobicContact CE1-CD1 4.32Å; F3871-Y3914 AromaticContact CE1-CE1 3.42Å; F3871-Y3914 HydrophobicContact CE1-CE1 3.83Å; F3871-Y3914 VanDerWaalsContact CE1-CE1 3.42Å; F3871-Y3914 HydrophobicContact CE1-CE2 4.23Å; F3871-Y3914 AromaticContact CE1-CZ 3.58Å; F3871-Y3914 VanDerWaalsContact CE1-CZ 3.41Å; F3871-Y3914 WeakPolarHBondContact CE1-OH 3.4Å; F3871-Y3914 WeakPolarHBondContact CG-OH 3.47Å; F3871-Y3914 HydrophobicContact CZ-CE1 4.5Å; L3875-Y3914 HydrophobicContact CB-CD2 4.35Å; L3875-Y3914 HydrophobicContact CB-CE2 4.04Å; L3875-Y3914 HydrophobicContact CD1-CD1 3.93Å; L3875-Y3914 HydrophobicContact CD1-CD2 3.72Å; L3875-Y3914 HydrophobicContact CD1-CE1 4.02Å; L3875-Y3914 VanDerWaalsContact CD1-CE1 3.47Å; L3875-Y3914 HydrophobicContact CD1-CE2 3.42Å; L3875-Y3914 HydrophobicContact CD1-CG 3.69Å; L3875-Y3914 VanDerWaalsContact CD1-OH 3.25Å; L3875-Y3914 WeakPolarHBondContact CD1-OH 3.14Å; L3875-Y3914 HydrophobicContact CD2-CD2 4.34Å; L3875-Y3914 HydrophobicContact CD2-CE2 4.42Å; L3875-Y3914 HydrophobicContact CD2-CG 4.44Å; L3875-Y3914 HydrophobicContact CG-CD1 4.4Å; L3875-Y3914 HydrophobicContact CG-CD2 3.82Å; L3875-Y3914 VanDerWaalsContact CG-CD2 3.48Å; L3875-Y3914 HydrophobicContact CG-CE1 4.22Å; L3875-Y3914 HydrophobicContact CG-CE2 3.62Å; L3875-Y3914 HydrophobicContact CG-CG 4.01Å; M3880-Y3914 HydrophobicContact SD-CE1 3.41Å; M3880-Y3914 WeakPolarHBondContact SD-CE1 3.49Å; M3880-Y3914 PolarHBondContact SD-OH 3.19Å; H3910-Y3914 WeakPolarHBondContact O-CB 3.37Å; H3910-Y3914 PolarHBondContact O-N 3.23Å; L3911-Y3914 WeakPolarHBondContact O-CB 3.31Å; L3911-Y3914 PolarHBondContact O-N 3Å; N3912-Y3914 VanDerWaalsContact C-N 3.29Å; N3912-Y3914 PolarHBondContact O-N 3.43Å; Y3914-Y3916 VanDerWaalsContact C-N 3.28Å; Y3914-Y3916 PolarHBondContact O-N 3.15Å; Y3914-Y3916 VanDerWaalsContact O-N 3.14Å; Y3914-Q3917 WeakPolarHBondContact O-CB 3.36Å; Y3914-Q3917 PolarHBondContact O-N 3.31Å; Y3914-Q3917 VanDerWaalsContact O-N 3.12Å; Y3914-L3918 HydrophobicContact CD1-CD1 4.21Å; Y3914-L3918 HydrophobicContact CD2-CD1 3.97Å; Y3914-L3918 HydrophobicContact CE1-CD1 3.91Å; Y3914-L3918 HydrophobicContact CE2-CD1 4.17Å; Y3914-L3918 HydrophobicContact CG-CD1 4.34Å; Y3914-L3918 WeakPolarHBondContact O-CB 3.48Å; Y3914-L3918 WeakPolarHBondContact O-CD1 3.49Å; Y3914-L3918 PolarHBondContact O-N 3.33Å |
| 3915 | L | 60.2 | Low | 58.4 | Low | 9.5 Ų | 9.5 | 53.8 Ų | 53.8 | 5% | 0.05 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.3 | -37.9 | 175 | -73.4 | 171.9 | 0 | 0 | 0 | 111 | I3862 F3866 L3911 N3912 L3918 F3919 W3954 F3957 L3958 L3961 | I3862-L3915 HydrophobicContact CG2-CD2 4.18Å; F3866-L3915 HydrophobicContact CE1-CD2 4.32Å; F3866-L3915 HydrophobicContact CZ-CD2 4.18Å; L3911-L3915 HydrophobicContact CD1-CD1 4.27Å; L3911-L3915 HydrophobicContact CD1-CG 4.27Å; L3911-L3915 HydrophobicContact CD2-CD1 3.42Å; L3911-L3915 HydrophobicContact CD2-CG 3.87Å; L3911-L3915 HydrophobicContact CG-CD1 3.99Å; L3911-L3915 HydrophobicContact CG-CG 4.45Å; L3911-L3915 WeakPolarHBondContact O-CB 3.33Å; L3911-L3915 VanDerWaalsContact O-CG 3.28Å; L3911-L3915 WeakPolarHBondContact O-CG 3.35Å; L3911-L3915 PolarHBondContact O-N 3.07Å; N3912-L3915 PolarHBondContact O-N 3.14Å; L3915-L3918 HydrophobicContact CD2-CD1 4.49Å; L3915-L3918 PolarHBondContact O-N 2.74Å; L3915-F3919 VanDerWaalsContact O-CB 3.27Å; L3915-F3919 WeakPolarHBondContact O-CB 3.43Å; L3915-F3919 PolarHBondContact O-N 3.13Å; L3915-F3919 VanDerWaalsContact O-N 3.12Å; L3915-W3954 HydrophobicContact CD2-CH2 3.85Å; L3915-W3954 HydrophobicContact CD2-CZ3 3.76Å; L3915-F3957 HydrophobicContact CD2-CE1 4.15Å; L3915-F3957 HydrophobicContact CD2-CZ 4.02Å; L3915-L3958 HydrophobicContact CB-CD2 4.13Å; L3915-L3961 HydrophobicContact CB-CD1 4.33Å; L3915-L3961 HydrophobicContact CD1-CB 4.26Å; L3915-L3961 HydrophobicContact CD1-CD1 3.94Å; L3915-L3961 HydrophobicContact CD1-CD2 4.27Å; L3915-L3961 HydrophobicContact CD1-CG 4.32Å |
| 3916 | Y | 59.8 | Low | 58.5 | Low | 30.5 Ų | 30.5 | 47 Ų | 47 | 12% | 0.12 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.1 | -42.4 | 174.2 | -155.7 | -85.9 | 0 | 0 | 0 | 113.2 | N3912 A3913 Y3914 L3918 F3919 C3920 L3958 L3961 I3962 P3963 K3971 L3975 | N3912-Y3916 HydrophobicContact CB-CE2 4.06Å; N3912-Y3916 VanDerWaalsContact O-CB 3.27Å; N3912-Y3916 WeakPolarHBondContact O-CB 3.3Å; N3912-Y3916 WeakPolarHBondContact O-CD2 3.2Å; N3912-Y3916 VanDerWaalsContact O-CG 3.26Å; N3912-Y3916 PolarHBondContact O-N 3.15Å; A3913-Y3916 WeakPolarHBondContact O-CB 3.2Å; A3913-Y3916 PolarHBondContact O-N 3.03Å; Y3914-Y3916 VanDerWaalsContact C-N 3.28Å; Y3914-Y3916 PolarHBondContact O-N 3.15Å; Y3914-Y3916 VanDerWaalsContact O-N 3.14Å; Y3916-L3918 VanDerWaalsContact C-N 3.29Å; Y3916-L3918 PolarHBondContact O-N 3.15Å; Y3916-F3919 HydrophobicContact CD2-CD1 4.34Å; Y3916-F3919 HydrophobicContact CE2-CD1 4.31Å; Y3916-F3919 VanDerWaalsContact O-CB 3.29Å; Y3916-F3919 WeakPolarHBondContact O-CB 3.42Å; Y3916-F3919 PolarHBondContact O-N 3.3Å; Y3916-C3920 WeakPolarHBondContact O-CB 3.42Å; Y3916-C3920 PolarHBondContact O-N 3.13Å; Y3916-C3920 PolarHBondContact O-SG 3.21Å; Y3916-L3958 HydrophobicContact CD1-CD1 4.07Å; Y3916-L3958 HydrophobicContact CE1-CD1 4.45Å; Y3916-L3961 PolarHBondContact OH-O 3.41Å; Y3916-I3962 HydrophobicContact CD2-CD1 4.42Å; Y3916-I3962 HydrophobicContact CE1-CG1 4.31Å; Y3916-P3963 WeakPolarHBondContact OH-CD 3.33Å; Y3916-K3971 HydrophobicContact CD2-CD 4.28Å; Y3916-K3971 HydrophobicContact CE1-CB 4.41Å; Y3916-K3971 HydrophobicContact CE1-CD 4.27Å; Y3916-K3971 HydrophobicContact CE1-CG 4.1Å; Y3916-K3971 HydrophobicContact CE2-CB 4.19Å; Y3916-K3971 HydrophobicContact CE2-CD 3.91Å; Y3916-K3971 HydrophobicContact CE2-CG 4.16Å; Y3916-K3971 VanDerWaalsContact OH-CB 3.27Å; Y3916-K3971 WeakPolarHBondContact OH-CB 3.49Å; Y3916-K3971 PolarHBondContact OH-O 3.11Å; Y3916-L3975 HydrophobicContact CD2-CD1 4.09Å; Y3916-L3975 HydrophobicContact CE2-CD1 4.13Å; Y3916-L3975 WeakPolarHBondContact OH-CD1 3.41Å; Y3916-L3975 WeakPolarHBondContact OH-CG 3.34Å |
| 3917 | Q | 58.9 | Low | 58.6 | Low | 78 Ų | 78 | 44.3 Ų | 44.3 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.7 | -41.8 | 176.8 | -171.8 | 176.8 | 4.3 | 0 | 0 | 111.4 | A3913 Y3914 F3919 C3920 T3921 | A3913-Q3917 VanDerWaalsContact O-CB 3.3Å; A3913-Q3917 WeakPolarHBondContact O-CB 3.4Å; A3913-Q3917 PolarHBondContact O-N 3.36Å; Y3914-Q3917 WeakPolarHBondContact O-CB 3.36Å; Y3914-Q3917 PolarHBondContact O-N 3.31Å; Y3914-Q3917 VanDerWaalsContact O-N 3.12Å; Q3917-F3919 VanDerWaalsContact C-N 3.32Å; Q3917-F3919 PolarHBondContact O-N 2.76Å; Q3917-C3920 WeakPolarHBondContact O-CB 3.41Å; Q3917-C3920 PolarHBondContact O-N 3.41Å; Q3917-C3920 VanDerWaalsContact O-N 3.15Å; Q3917-T3921 WeakPolarHBondContact O-CG2 3.33Å; Q3917-T3921 PolarHBondContact O-N 2.99Å; Q3917-T3921 PolarHBondContact O-OG1 3.21Å; Q3917-T3921 VanDerWaalsContact O-OG1 3.1Å |
| 3918 | L | 57.2 | Low | 58.8 | Low | 10.5 Ų | 10.5 | 47 Ų | 47 | 6% | 0.055 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.8 | -43.8 | 174.1 | -155.8 | 148.2 | 0 | 0 | 0 | 111.5 | F3871 Y3914 L3915 Y3916 C3920 T3921 N3922 W3954 | F3871-L3918 HydrophobicContact CD1-CD1 3.8Å; F3871-L3918 HydrophobicContact CD1-CD2 3.45Å; F3871-L3918 VanDerWaalsContact CD1-CD2 3.45Å; F3871-L3918 HydrophobicContact CD1-CG 4.02Å; F3871-L3918 HydrophobicContact CD2-CD2 3.99Å; F3871-L3918 HydrophobicContact CE1-CB 3.91Å; F3871-L3918 HydrophobicContact CE1-CD1 3.23Å; F3871-L3918 HydrophobicContact CE1-CD2 3.9Å; F3871-L3918 HydrophobicContact CE1-CG 3.56Å; F3871-L3918 HydrophobicContact CE2-CD1 4.13Å; F3871-L3918 HydrophobicContact CE2-CD2 3.67Å; F3871-L3918 HydrophobicContact CG-CD1 4.45Å; F3871-L3918 HydrophobicContact CG-CD2 3.88Å; F3871-L3918 HydrophobicContact CZ-CB 4.39Å; F3871-L3918 HydrophobicContact CZ-CD1 4Å; F3871-L3918 HydrophobicContact CZ-CD2 3.64Å; F3871-L3918 HydrophobicContact CZ-CG 3.76Å; Y3914-L3918 HydrophobicContact CD1-CD1 4.21Å; Y3914-L3918 HydrophobicContact CD2-CD1 3.97Å; Y3914-L3918 HydrophobicContact CE1-CD1 3.91Å; Y3914-L3918 HydrophobicContact CE2-CD1 4.17Å; Y3914-L3918 HydrophobicContact CG-CD1 4.34Å; Y3914-L3918 WeakPolarHBondContact O-CB 3.48Å; Y3914-L3918 WeakPolarHBondContact O-CD1 3.49Å; Y3914-L3918 PolarHBondContact O-N 3.33Å; L3915-L3918 HydrophobicContact CD2-CD1 4.49Å; L3915-L3918 PolarHBondContact O-N 2.74Å; Y3916-L3918 VanDerWaalsContact C-N 3.29Å; Y3916-L3918 PolarHBondContact O-N 3.15Å; L3918-C3920 VanDerWaalsContact C-N 3.32Å; L3918-C3920 PolarHBondContact O-N 3.32Å; L3918-T3921 VanDerWaalsContact CA-OG1 3.3Å; L3918-T3921 WeakPolarHBondContact CA-OG1 3.38Å; L3918-T3921 PolarHBondContact O-N 3.25Å; L3918-T3921 PolarHBondContact O-OG1 2.98Å; L3918-T3921 VanDerWaalsContact O-OG1 3.13Å; L3918-N3922 WeakPolarHBondContact CD2-ND2 3.34Å; L3918-N3922 WeakPolarHBondContact O-CB 3.27Å; L3918-N3922 PolarHBondContact O-N 3.14Å; L3918-N3922 PolarHBondContact O-ND2 3.44Å; L3918-W3954 HydrophobicContact CB-CH2 4.22Å; L3918-W3954 HydrophobicContact CB-CZ3 4.31Å; L3918-W3954 HydrophobicContact CD1-CH2 3.69Å; L3918-W3954 HydrophobicContact CD1-CZ2 4.21Å; L3918-W3954 HydrophobicContact CD1-CZ3 4.46Å; L3918-W3954 HydrophobicContact CD2-CD2 4.2Å; L3918-W3954 HydrophobicContact CD2-CE3 4.08Å; L3918-W3954 HydrophobicContact CD2-CH2 3.37Å; L3918-W3954 VanDerWaalsContact CD2-CH2 3.42Å; L3918-W3954 HydrophobicContact CD2-CZ2 3.77Å; L3918-W3954 HydrophobicContact CD2-CZ3 3.42Å; L3918-W3954 HydrophobicContact CG-CH2 4.13Å; L3918-W3954 HydrophobicContact CG-CZ2 4.37Å; L3918-W3954 HydrophobicContact CG-CZ3 4.43Å |
| 3919 | F | 60.9 | Low | 58.7 | Low | 19.5 Ų | 19.5 | 47.3 Ų | 47.3 | 9% | 0.086 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.4 | -51.8 | 173.1 | 176.3 | -113.5 | 0 | 0 | 0 | 111.5 | L3915 Y3916 Q3917 T3921 N3922 L3923 W3954 L3955 L3958 L3975 V3978 L4044 | L3915-F3919 VanDerWaalsContact O-CB 3.27Å; L3915-F3919 WeakPolarHBondContact O-CB 3.43Å; L3915-F3919 PolarHBondContact O-N 3.13Å; L3915-F3919 VanDerWaalsContact O-N 3.12Å; Y3916-F3919 HydrophobicContact CD2-CD1 4.34Å; Y3916-F3919 HydrophobicContact CE2-CD1 4.31Å; Y3916-F3919 VanDerWaalsContact O-CB 3.29Å; Y3916-F3919 WeakPolarHBondContact O-CB 3.42Å; Y3916-F3919 PolarHBondContact O-N 3.3Å; Q3917-F3919 VanDerWaalsContact C-N 3.32Å; Q3917-F3919 PolarHBondContact O-N 2.76Å; F3919-T3921 VanDerWaalsContact C-N 3.29Å; F3919-T3921 PolarHBondContact O-N 2.99Å; F3919-N3922 PolarHBondContact O-N 3.42Å; F3919-L3923 HydrophobicContact CD1-CD1 4.02Å; F3919-L3923 HydrophobicContact CD1-CG 4.4Å; F3919-L3923 HydrophobicContact CD2-CB 4.43Å; F3919-L3923 HydrophobicContact CD2-CD1 4.27Å; F3919-L3923 HydrophobicContact CE1-CD1 3.4Å; F3919-L3923 HydrophobicContact CE1-CG 4.07Å; F3919-L3923 HydrophobicContact CE2-CB 4.13Å; F3919-L3923 HydrophobicContact CE2-CD1 3.6Å; F3919-L3923 HydrophobicContact CE2-CG 4.17Å; F3919-L3923 HydrophobicContact CZ-CD1 3.53Å; F3919-L3923 HydrophobicContact CZ-CD2 4.42Å; F3919-L3923 HydrophobicContact CZ-CG 4.09Å; F3919-L3923 VanDerWaalsContact O-CB 3.31Å; F3919-L3923 WeakPolarHBondContact O-CB 3.25Å; F3919-L3923 PolarHBondContact O-N 3.24Å; F3919-W3954 HydrophobicContact CD2-CB 4.09Å; F3919-W3954 AromaticContact CD2-CE3 3.9Å; F3919-W3954 HydrophobicContact CD2-CE3 3.9Å; F3919-W3954 HydrophobicContact CE2-CB 3.58Å; F3919-W3954 HydrophobicContact CE2-CE3 4.46Å; F3919-W3954 VanDerWaalsContact CE2-O 3.24Å; F3919-W3954 WeakPolarHBondContact CE2-O 2.79Å; F3919-L3955 HydrophobicContact CD2-CD2 4.26Å; F3919-L3955 HydrophobicContact CE1-CD2 4.32Å; F3919-L3955 HydrophobicContact CE2-CD2 3.42Å; F3919-L3955 HydrophobicContact CE2-CG 4.19Å; F3919-L3955 HydrophobicContact CZ-CD2 3.81Å; F3919-L3955 HydrophobicContact CZ-CG 4.02Å; F3919-L3958 HydrophobicContact CB-CD1 3.7Å; F3919-L3958 VanDerWaalsContact CB-CD1 3.42Å; F3919-L3958 HydrophobicContact CB-CD2 3.94Å; F3919-L3958 HydrophobicContact CD1-CD1 3.96Å; F3919-L3958 HydrophobicContact CD1-CD2 3.77Å; F3919-L3958 HydrophobicContact CD1-CG 4.11Å; F3919-L3958 HydrophobicContact CD2-CB 4.16Å; F3919-L3958 HydrophobicContact CD2-CD1 3.18Å; F3919-L3958 HydrophobicContact CD2-CD2 4.1Å; F3919-L3958 HydrophobicContact CD2-CG 4.29Å; F3919-L3958 HydrophobicContact CE1-CB 4.11Å; F3919-L3958 HydrophobicContact CE1-CD1 3.9Å; F3919-L3958 HydrophobicContact CE1-CD2 3.58Å; F3919-L3958 HydrophobicContact CE1-CG 4.03Å; F3919-L3958 HydrophobicContact CE2-CB 3.66Å; F3919-L3958 HydrophobicContact CE2-CD1 3.78Å; F3919-L3958 VanDerWaalsContact CE2-CD1 3.41Å; F3919-L3958 HydrophobicContact CE2-CG 4.13Å; F3919-L3958 HydrophobicContact CG-CD1 3.48Å; F3919-L3958 HydrophobicContact CG-CD2 4.12Å; F3919-L3958 HydrophobicContact CG-CG 4.17Å; F3919-L3958 HydrophobicContact CZ-CB 3.66Å; F3919-L3958 HydrophobicContact CZ-CD1 4.2Å; F3919-L3958 HydrophobicContact CZ-CD2 4.03Å; F3919-L3958 HydrophobicContact CZ-CG 4.07Å; F3919-L3975 HydrophobicContact CD1-CD1 4.35Å; F3919-L3975 HydrophobicContact CD1-CD2 3.66Å; F3919-L3975 HydrophobicContact CD1-CG 3.91Å; F3919-L3975 HydrophobicContact CD2-CD2 4.02Å; F3919-L3975 HydrophobicContact CE1-CD1 4.25Å; F3919-L3975 HydrophobicContact CE1-CD2 3.59Å; F3919-L3975 HydrophobicContact CE1-CG 3.91Å; F3919-L3975 VanDerWaalsContact CE1-CG 3.48Å; F3919-L3975 HydrophobicContact CE2-CD2 3.77Å; F3919-L3975 HydrophobicContact CG-CD2 3.96Å; F3919-L3975 HydrophobicContact CZ-CD2 3.84Å; F3919-L3975 HydrophobicContact CZ-CG 3.93Å; F3919-V3978 HydrophobicContact CZ-CB 4.38Å; F3919-V3978 HydrophobicContact CZ-CG1 4.43Å; F3919-L4044 HydrophobicContact CE2-CD1 3.65Å; F3919-L4044 HydrophobicContact CZ-CD1 3.43Å; F3919-L4044 VanDerWaalsContact CZ-CD1 3.43Å; F3919-L4044 HydrophobicContact CZ-CG 4.33Å |
| 3920 | C | 59.6 | Low | 58.6 | Low | 19.75 Ų | 19.75 | 42.8 Ų | 42.8 | 13% | 0.133 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.1 | -42.1 | 178.1 | -68.9 | 0 | 0 | 0 | 0 | 112.3 | Y3916 Q3917 L3918 N3922 L3923 R3924 L3975 V3978 | Y3916-C3920 WeakPolarHBondContact O-CB 3.42Å; Y3916-C3920 PolarHBondContact O-N 3.13Å; Y3916-C3920 PolarHBondContact O-SG 3.21Å; Q3917-C3920 WeakPolarHBondContact O-CB 3.41Å; Q3917-C3920 PolarHBondContact O-N 3.41Å; Q3917-C3920 VanDerWaalsContact O-N 3.15Å; L3918-C3920 VanDerWaalsContact C-N 3.32Å; L3918-C3920 PolarHBondContact O-N 3.32Å; C3920-N3922 PolarHBondContact O-N 3.36Å; C3920-L3923 PolarHBondContact O-N 3.23Å; C3920-R3924 VanDerWaalsContact O-CB 3.27Å; C3920-R3924 WeakPolarHBondContact O-CB 3.41Å; C3920-R3924 PolarHBondContact O-N 2.97Å; C3920-L3975 HydrophobicContact CB-CD2 4.48Å; C3920-V3978 HydrophobicContact CB-CG1 4.17Å; C3920-V3978 HydrophobicContact CB-CG2 4.16Å |
| 3921 | T | 59.6 | Low | 58.6 | Low | 45.75 Ų | 45.75 | 39.1 Ų | 39.1 | 28% | 0.281 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.8 | -44.2 | -179.6 | -32.8 | 0 | 0 | 0 | 0 | 112.3 | Q3917 L3918 F3919 R3924 K3925 | Q3917-T3921 WeakPolarHBondContact O-CG2 3.33Å; Q3917-T3921 PolarHBondContact O-N 2.99Å; Q3917-T3921 PolarHBondContact O-OG1 3.21Å; Q3917-T3921 VanDerWaalsContact O-OG1 3.1Å; L3918-T3921 VanDerWaalsContact CA-OG1 3.3Å; L3918-T3921 WeakPolarHBondContact CA-OG1 3.38Å; L3918-T3921 PolarHBondContact O-N 3.25Å; L3918-T3921 PolarHBondContact O-OG1 2.98Å; L3918-T3921 VanDerWaalsContact O-OG1 3.13Å; F3919-T3921 VanDerWaalsContact C-N 3.29Å; F3919-T3921 PolarHBondContact O-N 2.99Å; T3921-R3924 WeakPolarHBondContact O-CB 3.44Å; T3921-R3924 PolarHBondContact O-N 3.2Å; T3921-K3925 WeakPolarHBondContact O-CG 3.46Å; T3921-K3925 PolarHBondContact O-N 3.01Å |
| 3922 | N | 58.5 | Low | 58.6 | Low | 20.75 Ų | 20.75 | 45.2 Ų | 45.2 | 11% | 0.111 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.9 | -36.2 | 177.9 | -76.9 | -35.1 | 0 | 0 | 0 | 112.2 | I3870 L3918 F3919 C3920 R3924 K3925 Y3926 W3954 | I3870-N3922 WeakPolarHBondContact CG2-OD1 3.39Å; L3918-N3922 WeakPolarHBondContact CD2-ND2 3.34Å; L3918-N3922 WeakPolarHBondContact O-CB 3.27Å; L3918-N3922 PolarHBondContact O-N 3.14Å; L3918-N3922 PolarHBondContact O-ND2 3.44Å; F3919-N3922 PolarHBondContact O-N 3.42Å; C3920-N3922 PolarHBondContact O-N 3.36Å; N3922-R3924 VanDerWaalsContact C-N 3.29Å; N3922-R3924 PolarHBondContact O-N 3.14Å; N3922-K3925 WeakPolarHBondContact O-CB 3.46Å; N3922-K3925 PolarHBondContact O-N 3.06Å; N3922-Y3926 WeakPolarHBondContact O-CB 3.34Å; N3922-Y3926 PolarHBondContact O-N 3.34Å; N3922-W3954 HydrophobicContact CB-CE3 3.77Å; N3922-W3954 HydrophobicContact CB-CH2 3.73Å; N3922-W3954 HydrophobicContact CB-CZ3 3.23Å; N3922-W3954 WeakPolarHBondContact ND2-CH2 3.26Å; N3922-W3954 WeakPolarHBondContact ND2-CZ3 3.34Å; N3922-W3954 PolarHBondContact ND2-NE1 3.03Å; N3922-W3954 VanDerWaalsContact ND2-NE1 3.2Å |
| 3923 | L | 59.6 | Low | 58.4 | Low | 18.25 Ų | 18.25 | 45.5 Ų | 45.5 | 10% | 0.096 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.7 | -39.6 | 169 | -137.2 | 149.8 | 0 | 0 | 0 | 111.5 | F3919 C3920 Y3926 T3927 L3975 V3978 T3979 L4044 L4048 | F3919-L3923 HydrophobicContact CD1-CD1 4.02Å; F3919-L3923 HydrophobicContact CD1-CG 4.4Å; F3919-L3923 HydrophobicContact CD2-CB 4.43Å; F3919-L3923 HydrophobicContact CD2-CD1 4.27Å; F3919-L3923 HydrophobicContact CE1-CD1 3.4Å; F3919-L3923 HydrophobicContact CE1-CG 4.07Å; F3919-L3923 HydrophobicContact CE2-CB 4.13Å; F3919-L3923 HydrophobicContact CE2-CD1 3.6Å; F3919-L3923 HydrophobicContact CE2-CG 4.17Å; F3919-L3923 HydrophobicContact CZ-CD1 3.53Å; F3919-L3923 HydrophobicContact CZ-CD2 4.42Å; F3919-L3923 HydrophobicContact CZ-CG 4.09Å; F3919-L3923 VanDerWaalsContact O-CB 3.31Å; F3919-L3923 WeakPolarHBondContact O-CB 3.25Å; F3919-L3923 PolarHBondContact O-N 3.24Å; C3920-L3923 PolarHBondContact O-N 3.23Å; L3923-Y3926 WeakPolarHBondContact O-CB 3.48Å; L3923-Y3926 PolarHBondContact O-N 3.13Å; L3923-T3927 HydrophobicContact CD2-CG2 4.18Å; L3923-T3927 HydrophobicContact CG-CG2 4.4Å; L3923-T3927 WeakPolarHBondContact O-CB 3.31Å; L3923-T3927 VanDerWaalsContact O-CG2 3.25Å; L3923-T3927 WeakPolarHBondContact O-CG2 3.24Å; L3923-T3927 PolarHBondContact O-N 3.19Å; L3923-T3927 PolarHBondContact O-OG1 3.11Å; L3923-L3975 HydrophobicContact CD2-CD2 4.11Å; L3923-V3978 HydrophobicContact CD1-CG1 3.83Å; L3923-V3978 HydrophobicContact CD2-CG1 3.67Å; L3923-V3978 HydrophobicContact CG-CG1 4.28Å; L3923-T3979 HydrophobicContact CD2-CG2 4.45Å; L3923-L4044 HydrophobicContact CD1-CD1 3.75Å; L3923-L4044 HydrophobicContact CD1-CD2 3.45Å; L3923-L4044 VanDerWaalsContact CD1-CD2 3.45Å; L3923-L4044 HydrophobicContact CD1-CG 3.81Å; L3923-L4044 HydrophobicContact CD2-CD1 4.19Å; L3923-L4044 HydrophobicContact CG-CD1 3.85Å; L3923-L4048 HydrophobicContact CD1-CD1 4.45Å |
| 3924 | R | 59.4 | Low | 58.3 | Low | 107.75 Ų | 107.75 | 46.3 Ų | 46.3 | 41% | 0.407 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.5 | -43.3 | 174.4 | -151.3 | 176.9 | -177.8 | 178.6 | 1.1 | 112.1 | C3920 T3921 N3922 Y3926 T3927 N3928 V3978 | C3920-R3924 VanDerWaalsContact O-CB 3.27Å; C3920-R3924 WeakPolarHBondContact O-CB 3.41Å; C3920-R3924 PolarHBondContact O-N 2.97Å; T3921-R3924 WeakPolarHBondContact O-CB 3.44Å; T3921-R3924 PolarHBondContact O-N 3.2Å; N3922-R3924 VanDerWaalsContact C-N 3.29Å; N3922-R3924 PolarHBondContact O-N 3.14Å; R3924-Y3926 VanDerWaalsContact C-N 3.3Å; R3924-Y3926 PolarHBondContact O-N 2.87Å; R3924-T3927 VanDerWaalsContact CA-OG1 3.26Å; R3924-T3927 WeakPolarHBondContact CA-OG1 3.21Å; R3924-T3927 PolarHBondContact O-N 3.09Å; R3924-T3927 PolarHBondContact O-OG1 3.21Å; R3924-T3927 VanDerWaalsContact O-OG1 3.09Å; R3924-N3928 VanDerWaalsContact O-CB 3.3Å; R3924-N3928 WeakPolarHBondContact O-CB 3.29Å; R3924-N3928 VanDerWaalsContact O-CG 3.28Å; R3924-N3928 PolarHBondContact O-N 3.23Å; R3924-N3928 PolarHBondContact O-ND2 2.96Å; R3924-N3928 VanDerWaalsContact O-ND2 3.16Å; R3924-V3978 HydrophobicContact CB-CG1 4.11Å |
| 3925 | K | 58.7 | Low | 58.1 | Low | 94 Ų | 94 | 49.6 Ų | 49.6 | 41% | 0.409 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.3 | -43.2 | 174.1 | -73 | 175.8 | -177.8 | 174.3 | 0 | 110.7 | I3870 D3872 T3921 N3922 R3929 | I3870-K3925 VanDerWaalsContact CG2-NZ 3.28Å; D3872-K3925 IonicContact OD1-NZ 2.74Å; D3872-K3925 PolarHBondContact OD1-NZ 3Å; T3921-K3925 WeakPolarHBondContact O-CG 3.46Å; T3921-K3925 PolarHBondContact O-N 3.01Å; N3922-K3925 WeakPolarHBondContact O-CB 3.46Å; N3922-K3925 PolarHBondContact O-N 3.06Å; K3925-R3929 WeakPolarHBondContact O-CB 3.39Å; K3925-R3929 WeakPolarHBondContact O-CG 3.42Å; K3925-R3929 PolarHBondContact O-N 3.23Å; K3925-R3929 VanDerWaalsContact O-N 3.09Å |
| 3926 | Y | 58.9 | Low | 57.7 | Low | 31.25 Ų | 31.25 | 53.9 Ų | 53.9 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.3 | -51.2 | 176.5 | -176 | -121.8 | 0 | 0 | 0 | 113.2 | N3922 L3923 R3924 N3928 R3929 L3930 N3948 I3951 M4033 L4048 | N3922-Y3926 WeakPolarHBondContact O-CB 3.34Å; N3922-Y3926 PolarHBondContact O-N 3.34Å; L3923-Y3926 WeakPolarHBondContact O-CB 3.48Å; L3923-Y3926 PolarHBondContact O-N 3.13Å; R3924-Y3926 VanDerWaalsContact C-N 3.3Å; R3924-Y3926 PolarHBondContact O-N 2.87Å; Y3926-N3928 VanDerWaalsContact C-N 3.34Å; Y3926-N3928 PolarHBondContact O-N 3.12Å; Y3926-R3929 CarbonylContact O-C 3.59Å; Y3926-R3929 WeakPolarHBondContact O-CA 3.46Å; Y3926-R3929 WeakPolarHBondContact O-CB 3.41Å; Y3926-R3929 PolarHBondContact O-N 2.92Å; Y3926-R3929 VanDerWaalsContact O-N 3.09Å; Y3926-L3930 HydrophobicContact CD1-CD1 3.85Å; Y3926-L3930 HydrophobicContact CD1-CG 4.42Å; Y3926-L3930 HydrophobicContact CD2-CD1 4.3Å; Y3926-L3930 HydrophobicContact CE1-CD1 3.34Å; Y3926-L3930 HydrophobicContact CE1-CG 4.33Å; Y3926-L3930 HydrophobicContact CE2-CD1 4.16Å; Y3926-L3930 HydrophobicContact CE2-CG 4.39Å; Y3926-L3930 HydrophobicContact CG-CD1 4.41Å; Y3926-L3930 WeakPolarHBondContact O-CB 3.23Å; Y3926-L3930 PolarHBondContact O-N 3.28Å; Y3926-N3948 HydrophobicContact CD2-CB 4.42Å; Y3926-N3948 VanDerWaalsContact CD2-OD1 3.22Å; Y3926-N3948 WeakPolarHBondContact CD2-OD1 3.41Å; Y3926-N3948 HydrophobicContact CE2-CB 4.2Å; Y3926-N3948 WeakPolarHBondContact CE2-OD1 3.24Å; Y3926-I3951 HydrophobicContact CD1-CD1 3.93Å; Y3926-I3951 HydrophobicContact CD1-CG2 4.31Å; Y3926-I3951 HydrophobicContact CD2-CD1 3.33Å; Y3926-I3951 VanDerWaalsContact CD2-CD1 3.41Å; Y3926-I3951 HydrophobicContact CD2-CG1 4.44Å; Y3926-I3951 HydrophobicContact CD2-CG2 4.49Å; Y3926-I3951 HydrophobicContact CE1-CD1 4.46Å; Y3926-I3951 HydrophobicContact CE1-CG2 4.27Å; Y3926-I3951 HydrophobicContact CE2-CD1 4.1Å; Y3926-I3951 HydrophobicContact CG-CD1 3.54Å; Y3926-I3951 HydrophobicContact CG-CG1 4.34Å; Y3926-I3951 HydrophobicContact CG-CG2 4.39Å; Y3926-M4033 HydrophobicContact CE2-SD 4.08Å; Y3926-L4048 HydrophobicContact CD1-CD1 4.27Å; Y3926-L4048 HydrophobicContact CE1-CD1 4.23Å |
| 3927 | T | 57.8 | Low | 57.1 | Low | 18.5 Ų | 18.5 | 55.4 Ų | 55.4 | 11% | 0.113 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 180 | 44.5 | 0 | 0 | 0 | 0 | 111.7 | L3923 R3924 R3929 L3930 L3931 L4048 | L3923-T3927 HydrophobicContact CD2-CG2 4.18Å; L3923-T3927 HydrophobicContact CG-CG2 4.4Å; L3923-T3927 WeakPolarHBondContact O-CB 3.31Å; L3923-T3927 VanDerWaalsContact O-CG2 3.25Å; L3923-T3927 WeakPolarHBondContact O-CG2 3.24Å; L3923-T3927 PolarHBondContact O-N 3.19Å; L3923-T3927 PolarHBondContact O-OG1 3.11Å; R3924-T3927 VanDerWaalsContact CA-OG1 3.26Å; R3924-T3927 WeakPolarHBondContact CA-OG1 3.21Å; R3924-T3927 PolarHBondContact O-N 3.09Å; R3924-T3927 PolarHBondContact O-OG1 3.21Å; R3924-T3927 VanDerWaalsContact O-OG1 3.09Å; T3927-R3929 VanDerWaalsContact C-N 3.32Å; T3927-R3929 PolarHBondContact O-N 3.06Å; T3927-L3930 PolarHBondContact O-N 3.12Å; T3927-L3931 VanDerWaalsContact O-CB 3.26Å; T3927-L3931 WeakPolarHBondContact O-CB 3.17Å; T3927-L3931 WeakPolarHBondContact O-CD1 3.44Å; T3927-L3931 WeakPolarHBondContact O-CG 3.29Å; T3927-L3931 PolarHBondContact O-N 3.04Å; T3927-L4048 HydrophobicContact CG2-CD1 4.34Å; T3927-L4048 HydrophobicContact CG2-CD2 3.61Å; T3927-L4048 HydrophobicContact CG2-CG 3.79Å |
| 3928 | N | 59 | Low | 56.3 | Low | 65 Ų | 65 | 58.1 Ų | 58.1 | 35% | 0.348 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63 | -34 | 173.8 | -75.9 | -23.6 | 0 | 0 | 0 | 112.4 | R3924 Y3926 L3931 K3932 K4055 | R3924-N3928 VanDerWaalsContact O-CB 3.3Å; R3924-N3928 WeakPolarHBondContact O-CB 3.29Å; R3924-N3928 VanDerWaalsContact O-CG 3.28Å; R3924-N3928 PolarHBondContact O-N 3.23Å; R3924-N3928 PolarHBondContact O-ND2 2.96Å; R3924-N3928 VanDerWaalsContact O-ND2 3.16Å; Y3926-N3928 VanDerWaalsContact C-N 3.34Å; Y3926-N3928 PolarHBondContact O-N 3.12Å; N3928-L3931 WeakPolarHBondContact O-CB 3.42Å; N3928-K3932 WeakPolarHBondContact O-CG 3.24Å; N3928-K3932 PolarHBondContact O-N 3.14Å; N3928-K3932 VanDerWaalsContact O-N 3.11Å; N3928-K4055 PolarHBondContact OD1-NZ 3.17Å |
| 3929 | R | 56.2 | Low | 55.8 | Low | 63.25 Ų | 63.25 | 66.3 Ų | 66.3 | 24% | 0.239 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -72.8 | -45 | 175.3 | -117.1 | 179.7 | 175.5 | 176.8 | -0.8 | 112.3 | K3925 Y3926 T3927 L3931 K3932 I3933 D3944 T3947 N3948 | K3925-R3929 WeakPolarHBondContact O-CB 3.39Å; K3925-R3929 WeakPolarHBondContact O-CG 3.42Å; K3925-R3929 PolarHBondContact O-N 3.23Å; K3925-R3929 VanDerWaalsContact O-N 3.09Å; Y3926-R3929 CarbonylContact O-C 3.59Å; Y3926-R3929 WeakPolarHBondContact O-CA 3.46Å; Y3926-R3929 WeakPolarHBondContact O-CB 3.41Å; Y3926-R3929 PolarHBondContact O-N 2.92Å; Y3926-R3929 VanDerWaalsContact O-N 3.09Å; T3927-R3929 VanDerWaalsContact C-N 3.32Å; T3927-R3929 PolarHBondContact O-N 3.06Å; R3929-L3931 VanDerWaalsContact C-N 3.31Å; R3929-L3931 PolarHBondContact O-N 3.03Å; R3929-K3932 CarbonylContact O-C 3.59Å; R3929-K3932 PolarHBondContact O-N 3.12Å; R3929-K3932 VanDerWaalsContact O-N 3.13Å; R3929-I3933 HydrophobicContact CG-CD1 4.18Å; R3929-I3933 VanDerWaalsContact O-CG1 3.27Å; R3929-I3933 WeakPolarHBondContact O-CG1 3.33Å; R3929-I3933 PolarHBondContact O-N 3.13Å; R3929-D3944 IonicContact CZ-OD1 2.74Å; R3929-D3944 IonicContact CZ-OD2 3.48Å; R3929-D3944 VanDerWaalsContact NH1-CB 3.31Å; R3929-D3944 PolarHBondContact NH1-O 3.05Å; R3929-D3944 IonicContact NH1-OD1 3.36Å; R3929-D3944 PolarHBondContact NH1-OD1 3.2Å; R3929-D3944 IonicContact NH1-OD2 3.76Å; R3929-D3944 VanDerWaalsContact NH2-CB 3.3Å; R3929-D3944 PolarHBondContact NH2-O 3.06Å; R3929-D3944 IonicContact NH2-OD1 2.61Å; R3929-D3944 PolarHBondContact NH2-OD1 2.74Å; R3929-D3944 IonicContact NH2-OD2 3.75Å; R3929-D3944 PolarHBondContact NH2-OD2 3.27Å; R3929-T3947 PolarHBondContact NH1-OG1 3.04Å; R3929-N3948 WeakPolarHBondContact CD-OD1 3.46Å; R3929-N3948 VanDerWaalsContact NH1-CG 3.27Å; R3929-N3948 PolarHBondContact NH1-ND2 3.43Å; R3929-N3948 VanDerWaalsContact NH1-ND2 3.19Å; R3929-N3948 PolarHBondContact NH1-OD1 3.04Å; R3929-N3948 VanDerWaalsContact NH1-OD1 3.16Å |
| 3930 | L | 56.9 | Low | 55 | Low | 22.25 Ų | 22.25 | 72.2 Ų | 72.2 | 12% | 0.116 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -54.9 | -45.6 | 171.4 | -99 | 163.9 | 0 | 0 | 0 | 110.6 | Y3926 T3927 K3932 I3933 I3934 F4024 L4048 | Y3926-L3930 HydrophobicContact CD1-CD1 3.85Å; Y3926-L3930 HydrophobicContact CD1-CG 4.42Å; Y3926-L3930 HydrophobicContact CD2-CD1 4.3Å; Y3926-L3930 HydrophobicContact CE1-CD1 3.34Å; Y3926-L3930 HydrophobicContact CE1-CG 4.33Å; Y3926-L3930 HydrophobicContact CE2-CD1 4.16Å; Y3926-L3930 HydrophobicContact CE2-CG 4.39Å; Y3926-L3930 HydrophobicContact CG-CD1 4.41Å; Y3926-L3930 WeakPolarHBondContact O-CB 3.23Å; Y3926-L3930 PolarHBondContact O-N 3.28Å; T3927-L3930 PolarHBondContact O-N 3.12Å; L3930-K3932 PolarHBondContact O-N 3.38Å; L3930-I3933 PolarHBondContact O-N 3.18Å; L3930-I3934 HydrophobicContact CD2-CD1 4.25Å; L3930-I3934 WeakPolarHBondContact O-CB 3.34Å; L3930-I3934 WeakPolarHBondContact O-CD1 3.26Å; L3930-I3934 WeakPolarHBondContact O-CG1 3.27Å; L3930-I3934 PolarHBondContact O-N 3.13Å; L3930-F4024 HydrophobicContact CD2-CE2 3.65Å; L3930-F4024 HydrophobicContact CD2-CZ 4.24Å; L3930-L4048 HydrophobicContact CD1-CD2 4.21Å |
| 3931 | L | 56.7 | Low | 54 | Low | 37.5 Ų | 37.5 | 75.3 Ų | 75.3 | 20% | 0.196 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 174.1 | -106.5 | 140.8 | 0 | 0 | 0 | 112.2 | T3927 N3928 R3929 I3933 I3934 M3935 L4052 K4055 | T3927-L3931 VanDerWaalsContact O-CB 3.26Å; T3927-L3931 WeakPolarHBondContact O-CB 3.17Å; T3927-L3931 WeakPolarHBondContact O-CD1 3.44Å; T3927-L3931 WeakPolarHBondContact O-CG 3.29Å; T3927-L3931 PolarHBondContact O-N 3.04Å; N3928-L3931 WeakPolarHBondContact O-CB 3.42Å; R3929-L3931 VanDerWaalsContact C-N 3.31Å; R3929-L3931 PolarHBondContact O-N 3.03Å; L3931-I3933 PolarHBondContact O-N 3.08Å; L3931-I3934 PolarHBondContact O-N 3.3Å; L3931-M3935 HydrophobicContact CD2-CG 4.2Å; L3931-M3935 HydrophobicContact CG-CG 4.33Å; L3931-M3935 VanDerWaalsContact O-CB 3.28Å; L3931-M3935 WeakPolarHBondContact O-CB 3.34Å; L3931-M3935 WeakPolarHBondContact O-CG 3.24Å; L3931-M3935 PolarHBondContact O-N 3.3Å; L3931-L4052 HydrophobicContact CD1-CD2 4.32Å; L3931-L4052 HydrophobicContact CD2-CB 4.37Å; L3931-L4052 HydrophobicContact CD2-CD1 3.62Å; L3931-L4052 HydrophobicContact CD2-CD2 4.09Å; L3931-L4052 HydrophobicContact CD2-CG 3.49Å; L3931-L4052 VanDerWaalsContact CD2-CG 3.49Å; L3931-L4052 HydrophobicContact CG-CD2 3.56Å; L3931-K4055 HydrophobicContact CD1-CD 4Å |
| 3932 | K | 57.2 | Low | 53.1 | Low | 136.5 Ų | 136.5 | 75.3 Ų | 75.3 | 59% | 0.593 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.8 | -41.9 | 175.9 | -77.9 | -179 | 177.9 | -174.4 | 0 | 112.5 | N3928 R3929 L3930 I3934 M3935 N3936 | N3928-K3932 WeakPolarHBondContact O-CG 3.24Å; N3928-K3932 PolarHBondContact O-N 3.14Å; N3928-K3932 VanDerWaalsContact O-N 3.11Å; R3929-K3932 CarbonylContact O-C 3.59Å; R3929-K3932 PolarHBondContact O-N 3.12Å; R3929-K3932 VanDerWaalsContact O-N 3.13Å; L3930-K3932 PolarHBondContact O-N 3.38Å; K3932-I3934 VanDerWaalsContact C-N 3.33Å; K3932-M3935 PolarHBondContact O-N 3.06Å; K3932-N3936 VanDerWaalsContact O-CB 3.23Å; K3932-N3936 WeakPolarHBondContact O-CB 3.27Å; K3932-N3936 PolarHBondContact O-N 3.19Å |
| 3933 | I | 56.1 | Low | 52.3 | Low | 48 Ų | 48 | 79.8 Ų | 79.8 | 25% | 0.246 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 177 | -66.8 | 163.2 | 0 | 0 | 0 | 109.9 | R3929 L3930 L3931 M3935 G3937 Y3940 | R3929-I3933 HydrophobicContact CG-CD1 4.18Å; R3929-I3933 VanDerWaalsContact O-CG1 3.27Å; R3929-I3933 WeakPolarHBondContact O-CG1 3.33Å; R3929-I3933 PolarHBondContact O-N 3.13Å; L3930-I3933 PolarHBondContact O-N 3.18Å; L3931-I3933 PolarHBondContact O-N 3.08Å; I3933-M3935 PolarHBondContact O-N 3.14Å; I3933-G3937 WeakPolarHBondContact O-CA 3.15Å; I3933-G3937 PolarHBondContact O-N 2.99Å; I3933-G3937 VanDerWaalsContact O-N 3.1Å; I3933-Y3940 HydrophobicContact CD1-CE2 4.34Å |
| 3934 | I | 54.3 | Low | 51.6 | Low | 66.75 Ų | 66.75 | 82.7 Ų | 82.7 | 34% | 0.342 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 178.2 | -68.4 | 162.9 | 0 | 0 | 0 | 111.6 | L3930 L3931 K3932 F4024 L4052 | L3930-I3934 HydrophobicContact CD2-CD1 4.25Å; L3930-I3934 WeakPolarHBondContact O-CB 3.34Å; L3930-I3934 WeakPolarHBondContact O-CD1 3.26Å; L3930-I3934 WeakPolarHBondContact O-CG1 3.27Å; L3930-I3934 PolarHBondContact O-N 3.13Å; L3931-I3934 PolarHBondContact O-N 3.3Å; K3932-I3934 VanDerWaalsContact C-N 3.33Å; I3934-F4024 HydrophobicContact CD1-CD2 4.4Å; I3934-F4024 HydrophobicContact CD1-CE2 3.8Å; I3934-F4024 HydrophobicContact CD1-CZ 4.31Å; I3934-F4024 HydrophobicContact CG1-CD2 4.1Å; I3934-F4024 HydrophobicContact CG1-CE2 4.21Å; I3934-F4024 HydrophobicContact CG2-CD2 3.54Å; I3934-F4024 HydrophobicContact CG2-CE2 3.62Å; I3934-L4052 HydrophobicContact CD1-CD2 3.99Å |
| 3935 | M | 53.9 | Low | 50.9 | Low | 99.25 Ų | 99.25 | 80.8 Ų | 80.8 | 49% | 0.489 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -82.9 | -33.8 | -174.4 | -67.5 | -69.2 | -71.4 | 0 | 0 | 113.7 | L3931 K3932 I3933 I3991 L4056 | L3931-M3935 HydrophobicContact CD2-CG 4.2Å; L3931-M3935 HydrophobicContact CG-CG 4.33Å; L3931-M3935 VanDerWaalsContact O-CB 3.28Å; L3931-M3935 WeakPolarHBondContact O-CB 3.34Å; L3931-M3935 WeakPolarHBondContact O-CG 3.24Å; L3931-M3935 PolarHBondContact O-N 3.3Å; K3932-M3935 PolarHBondContact O-N 3.06Å; I3933-M3935 PolarHBondContact O-N 3.14Å; M3935-I3991 HydrophobicContact CE-CD1 4.36Å; M3935-L4056 HydrophobicContact SD-CD2 4.22Å |
| 3936 | N | 52.9 | Low | 50.4 | Low | 98.5 Ų | 98.5 | 79 Ų | 79 | 53% | 0.527 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -108.1 | -14.4 | -171.7 | -64.2 | -0.9 | 0 | 0 | 0 | 114 | K3932 E3938 | K3932-N3936 VanDerWaalsContact O-CB 3.23Å; K3932-N3936 WeakPolarHBondContact O-CB 3.27Å; K3932-N3936 PolarHBondContact O-N 3.19Å; N3936-E3938 VanDerWaalsContact C-N 3.28Å; N3936-E3938 HydrophobicContact CB-CB 4.5Å; N3936-E3938 HydrophobicContact CB-CG 4.2Å; N3936-E3938 PolarHBondContact O-N 3.11Å; N3936-E3938 VanDerWaalsContact O-N 3.11Å |
| 3937 | G | 46.9 | Very low | 49.9 | Very low | 61.5 Ų | 61.5 | 79.1 Ų | 79.1 | 63% | 0.634 | 43% | 0.433 | S | S | * | . | trans | 63.2 | 16.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | I3933 E3939 | I3933-G3937 WeakPolarHBondContact O-CA 3.15Å; I3933-G3937 PolarHBondContact O-N 2.99Å; I3933-G3937 VanDerWaalsContact O-N 3.1Å; G3937-E3939 PolarHBondContact O-N 2.95Å | ||
| 3938 | E | 42.8 | Very low | 49.5 | Very low | 135.5 Ų | 135.5 | 79.7 Ų | 79.7 | 63% | 0.633 | 44% | 0.435 | S | S | * | . | trans | -73.1 | 129.7 | -178.5 | -73 | -177.9 | 161.6 | 0 | 0 | 111.7 | N3936 Y3940 | N3936-E3938 VanDerWaalsContact C-N 3.28Å; N3936-E3938 HydrophobicContact CB-CB 4.5Å; N3936-E3938 HydrophobicContact CB-CG 4.2Å; N3936-E3938 PolarHBondContact O-N 3.11Å; N3936-E3938 VanDerWaalsContact O-N 3.11Å; E3938-Y3940 PolarHBondContact O-N 3.47Å | ||
| 3939 | E | 45.1 | Very low | 49.2 | Very low | 182.75 Ų | 182.75 | 79.9 Ų | 79.9 | 85% | 0.854 | 43% | 0.433 | S | S | * | . | trans | -64 | 141.2 | 171.9 | -71.3 | -176.2 | 154.7 | 0 | 0 | 111.4 | G3937 A3941 | G3937-E3939 PolarHBondContact O-N 2.95Å; E3939-A3941 VanDerWaalsContact C-N 3.29Å; E3939-A3941 WeakPolarHBondContact O-CB 3.41Å; E3939-A3941 PolarHBondContact O-N 3.15Å | ||
| 3940 | Y | 45.1 | Very low | 49.1 | Very low | 143.5 Ų | 143.5 | 77.5 Ų | 77.5 | 56% | 0.563 | 43% | 0.425 | S | S | * | . | trans | -39.3 | 73.1 | 174.7 | -83.1 | -96.3 | 0 | 0 | 0 | 115.5 | I3933 E3938 G3942 I3945 N3948 | I3933-Y3940 HydrophobicContact CD1-CE2 4.34Å; E3938-Y3940 PolarHBondContact O-N 3.47Å; Y3940-G3942 PolarHBondContact O-N 3.31Å; Y3940-I3945 HydrophobicContact CD1-CG1 4.39Å; Y3940-N3948 WeakPolarHBondContact CD1-ND2 3.33Å; Y3940-N3948 HydrophobicContact CE1-CB 4.29Å; Y3940-N3948 WeakPolarHBondContact CE1-ND2 3.07Å | ||
| 3941 | A | 38 | Very low | 49 | Very low | 85.5 Ų | 85.5 | 77.1 Ų | 77.1 | 71% | 0.707 | 42% | 0.423 | S | S | * | . | trans | -81 | 103.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E3939 P3943 | E3939-A3941 VanDerWaalsContact C-N 3.29Å; E3939-A3941 WeakPolarHBondContact O-CB 3.41Å; E3939-A3941 PolarHBondContact O-N 3.15Å; A3941-P3943 WeakPolarHBondContact O-CD 3.45Å; A3941-P3943 VanDerWaalsContact O-N 3.1Å | ||
| 3942 | G | 41 | Very low | 48.8 | Very low | 45.25 Ų | 45.25 | 76.1 Ų | 76.1 | 47% | 0.466 | 42% | 0.418 | S | S | . | . | S | Bend | trans | 92 | -95 | 163.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | Y3940 D3944 | Y3940-G3942 PolarHBondContact O-N 3.31Å; G3942-D3944 PolarHBondContact O-N 3.12Å |
| 3943 | P | 41.3 | Very low | 48.7 | Very low | 114.5 Ų | 114.5 | 70.2 Ų | 70.2 | 74% | 0.744 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -21.5 | -165.1 | 16.3 | -16 | 0 | 0 | 0 | 114.7 | A3941 I3945 | A3941-P3943 WeakPolarHBondContact O-CD 3.45Å; A3941-P3943 VanDerWaalsContact O-N 3.1Å; P3943-I3945 VanDerWaalsContact C-N 3.31Å; P3943-I3945 PolarHBondContact O-N 2.84Å |
| 3944 | D | 44.9 | Very low | 48.7 | Very low | 79.5 Ų | 79.5 | 68.7 Ų | 68.7 | 43% | 0.425 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 8.1 | -171.1 | -90.6 | -39.9 | 0 | 0 | 0 | 114.4 | R3929 G3942 N3946 T3947 N3948 | R3929-D3944 IonicContact CZ-OD1 2.74Å; R3929-D3944 IonicContact CZ-OD2 3.48Å; R3929-D3944 VanDerWaalsContact NH1-CB 3.31Å; R3929-D3944 PolarHBondContact NH1-O 3.05Å; R3929-D3944 IonicContact NH1-OD1 3.36Å; R3929-D3944 PolarHBondContact NH1-OD1 3.2Å; R3929-D3944 IonicContact NH1-OD2 3.76Å; R3929-D3944 VanDerWaalsContact NH2-CB 3.3Å; R3929-D3944 PolarHBondContact NH2-O 3.06Å; R3929-D3944 IonicContact NH2-OD1 2.61Å; R3929-D3944 PolarHBondContact NH2-OD1 2.74Å; R3929-D3944 IonicContact NH2-OD2 3.75Å; R3929-D3944 PolarHBondContact NH2-OD2 3.27Å; G3942-D3944 PolarHBondContact O-N 3.12Å; D3944-N3946 PolarHBondContact O-N 3.24Å; D3944-N3946 VanDerWaalsContact O-N 3.09Å; D3944-T3947 PolarHBondContact O-N 3.14Å; D3944-T3947 VanDerWaalsContact O-N 3.11Å; D3944-T3947 PolarHBondContact O-OG1 2.95Å; D3944-T3947 VanDerWaalsContact OD1-CG2 3.28Å; D3944-T3947 WeakPolarHBondContact OD1-CG2 3.05Å; D3944-T3947 PolarHBondContact OD1-OG1 3.21Å; D3944-N3948 PolarHBondContact O-N 2.87Å |
| 3945 | I | 45 | Very low | 48.7 | Very low | 68.75 Ų | 68.75 | 66.5 Ų | 66.5 | 35% | 0.353 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -52.8 | -29.3 | 175.7 | -64.8 | 169.9 | 0 | 0 | 0 | 111.6 | Y3940 P3943 N3948 K3949 | Y3940-I3945 HydrophobicContact CD1-CG1 4.39Å; P3943-I3945 VanDerWaalsContact C-N 3.31Å; P3943-I3945 PolarHBondContact O-N 2.84Å; I3945-N3948 PolarHBondContact O-N 2.98Å; I3945-K3949 HydrophobicContact CG2-CD 4.05Å; I3945-K3949 HydrophobicContact CG2-CG 4.29Å; I3945-K3949 VanDerWaalsContact O-CB 3.22Å; I3945-K3949 WeakPolarHBondContact O-CB 3.42Å; I3945-K3949 VanDerWaalsContact O-CG 3.28Å; I3945-K3949 WeakPolarHBondContact O-CG 3.21Å; I3945-K3949 PolarHBondContact O-N 3.16Å; I3945-K3949 VanDerWaalsContact O-N 3.11Å |
| 3946 | N | 48.2 | Very low | 48.7 | Very low | 54.75 Ų | 54.75 | 63.4 Ų | 63.4 | 29% | 0.293 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 178.2 | -69 | -11.8 | 0 | 0 | 0 | 113 | V3790 K3791 D3944 N3948 K3949 L3950 | V3790-N3946 HydrophobicContact CG1-CB 4.35Å; V3790-N3946 HydrophobicContact CG2-CB 4.39Å; K3791-N3946 WeakPolarHBondContact CE-OD1 3.43Å; K3791-N3946 VanDerWaalsContact CG-OD1 3.26Å; K3791-N3946 WeakPolarHBondContact CG-OD1 3.42Å; D3944-N3946 PolarHBondContact O-N 3.24Å; D3944-N3946 VanDerWaalsContact O-N 3.09Å; N3946-N3948 VanDerWaalsContact C-N 3.32Å; N3946-N3948 PolarHBondContact O-N 3.45Å; N3946-K3949 CarbonylContact O-C 3.53Å; N3946-K3949 WeakPolarHBondContact O-CB 3.43Å; N3946-K3949 PolarHBondContact O-N 3.1Å; N3946-K3949 VanDerWaalsContact O-N 3.12Å; N3946-L3950 HydrophobicContact CB-CD1 4.45Å; N3946-L3950 WeakPolarHBondContact O-CB 3.19Å; N3946-L3950 WeakPolarHBondContact O-CD1 3.39Å; N3946-L3950 WeakPolarHBondContact O-CG 3.43Å; N3946-L3950 PolarHBondContact O-N 3.2Å |
| 3947 | T | 48.8 | Very low | 48.8 | Very low | 35 Ų | 35 | 59.3 Ų | 59.3 | 22% | 0.215 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.7 | -42.7 | -179.7 | 48.7 | 0 | 0 | 0 | 0 | 111.5 | R3929 D3944 K3949 L3950 I3951 | R3929-T3947 PolarHBondContact NH1-OG1 3.04Å; D3944-T3947 PolarHBondContact O-N 3.14Å; D3944-T3947 VanDerWaalsContact O-N 3.11Å; D3944-T3947 PolarHBondContact O-OG1 2.95Å; D3944-T3947 VanDerWaalsContact OD1-CG2 3.28Å; D3944-T3947 WeakPolarHBondContact OD1-CG2 3.05Å; D3944-T3947 PolarHBondContact OD1-OG1 3.21Å; T3947-K3949 VanDerWaalsContact C-N 3.3Å; T3947-K3949 PolarHBondContact O-N 3.21Å; T3947-L3950 PolarHBondContact O-N 3.21Å; T3947-L3950 VanDerWaalsContact O-N 3.15Å; T3947-I3951 VanDerWaalsContact O-CD1 3.28Å; T3947-I3951 WeakPolarHBondContact O-CD1 3.37Å; T3947-I3951 VanDerWaalsContact O-CG1 3.29Å; T3947-I3951 WeakPolarHBondContact O-CG1 3.42Å; T3947-I3951 PolarHBondContact O-N 3.1Å; T3947-I3951 VanDerWaalsContact O-N 3.1Å |
| 3948 | N | 50.1 | Low | 49.1 | Very low | 30 Ų | 30 | 56.7 Ų | 56.7 | 16% | 0.16 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.9 | -33.5 | 176 | -71.4 | 0.4 | 0 | 0 | 0 | 112.8 | Y3926 R3929 Y3940 D3944 I3945 N3946 P3952 | Y3926-N3948 HydrophobicContact CD2-CB 4.42Å; Y3926-N3948 VanDerWaalsContact CD2-OD1 3.22Å; Y3926-N3948 WeakPolarHBondContact CD2-OD1 3.41Å; Y3926-N3948 HydrophobicContact CE2-CB 4.2Å; Y3926-N3948 WeakPolarHBondContact CE2-OD1 3.24Å; R3929-N3948 WeakPolarHBondContact CD-OD1 3.46Å; R3929-N3948 VanDerWaalsContact NH1-CG 3.27Å; R3929-N3948 PolarHBondContact NH1-ND2 3.43Å; R3929-N3948 VanDerWaalsContact NH1-ND2 3.19Å; R3929-N3948 PolarHBondContact NH1-OD1 3.04Å; R3929-N3948 VanDerWaalsContact NH1-OD1 3.16Å; Y3940-N3948 WeakPolarHBondContact CD1-ND2 3.33Å; Y3940-N3948 HydrophobicContact CE1-CB 4.29Å; Y3940-N3948 WeakPolarHBondContact CE1-ND2 3.07Å; D3944-N3948 PolarHBondContact O-N 2.87Å; I3945-N3948 PolarHBondContact O-N 2.98Å; N3946-N3948 VanDerWaalsContact C-N 3.32Å; N3946-N3948 PolarHBondContact O-N 3.45Å; N3948-P3952 VanDerWaalsContact O-CD 3.28Å; N3948-P3952 WeakPolarHBondContact O-CD 3.36Å |
| 3949 | K | 52 | Low | 49.6 | Very low | 69.25 Ų | 69.25 | 54.5 Ų | 54.5 | 30% | 0.301 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -74.8 | -26.5 | 176.1 | -76.3 | -178.3 | 176.1 | -173 | 0 | 113.6 | I3794 I3845 I3945 N3946 T3947 P3952 | I3794-K3949 HydrophobicContact CD1-CB 4.16Å; I3845-K3949 HydrophobicContact CD1-CB 3.55Å; I3845-K3949 VanDerWaalsContact CD1-CB 3.46Å; I3845-K3949 HydrophobicContact CD1-CD 3.85Å; I3845-K3949 HydrophobicContact CD1-CG 3.6Å; I3945-K3949 HydrophobicContact CG2-CD 4.05Å; I3945-K3949 HydrophobicContact CG2-CG 4.29Å; I3945-K3949 VanDerWaalsContact O-CB 3.22Å; I3945-K3949 WeakPolarHBondContact O-CB 3.42Å; I3945-K3949 VanDerWaalsContact O-CG 3.28Å; I3945-K3949 WeakPolarHBondContact O-CG 3.21Å; I3945-K3949 PolarHBondContact O-N 3.16Å; I3945-K3949 VanDerWaalsContact O-N 3.11Å; N3946-K3949 CarbonylContact O-C 3.53Å; N3946-K3949 WeakPolarHBondContact O-CB 3.43Å; N3946-K3949 PolarHBondContact O-N 3.1Å; N3946-K3949 VanDerWaalsContact O-N 3.12Å; T3947-K3949 VanDerWaalsContact C-N 3.3Å; T3947-K3949 PolarHBondContact O-N 3.21Å; K3949-P3952 WeakPolarHBondContact O-CD 3.44Å |
| 3950 | L | 54.2 | Low | 49.8 | Very low | 12 Ų | 12 | 49.3 Ų | 49.3 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -84.2 | -27.9 | -179.6 | -73.3 | 167.1 | 0 | 0 | 0 | 113.1 | V3790 I3794 F3865 I3870 N3946 T3947 P3952 L3953 W3954 | V3790-L3950 HydrophobicContact CB-CD1 4.37Å; V3790-L3950 HydrophobicContact CG1-CD1 3.69Å; V3790-L3950 HydrophobicContact CG1-CD2 3.68Å; V3790-L3950 HydrophobicContact CG1-CG 4.14Å; V3790-L3950 HydrophobicContact CG2-CD1 4.38Å; I3794-L3950 HydrophobicContact CD1-CD2 4.07Å; I3794-L3950 HydrophobicContact CD1-CG 4.12Å; I3794-L3950 HydrophobicContact CG1-CD2 4.26Å; F3865-L3950 HydrophobicContact CE1-CB 4.35Å; F3865-L3950 HydrophobicContact CE1-CD1 4.36Å; F3865-L3950 HydrophobicContact CE1-CD2 3.93Å; F3865-L3950 HydrophobicContact CE1-CG 4.31Å; F3865-L3950 HydrophobicContact CZ-CB 4.44Å; F3865-L3950 HydrophobicContact CZ-CD2 4.19Å; I3870-L3950 HydrophobicContact CD1-CD1 3.79Å; N3946-L3950 HydrophobicContact CB-CD1 4.45Å; N3946-L3950 WeakPolarHBondContact O-CB 3.19Å; N3946-L3950 WeakPolarHBondContact O-CD1 3.39Å; N3946-L3950 WeakPolarHBondContact O-CG 3.43Å; N3946-L3950 PolarHBondContact O-N 3.2Å; T3947-L3950 PolarHBondContact O-N 3.21Å; T3947-L3950 VanDerWaalsContact O-N 3.15Å; L3950-P3952 VanDerWaalsContact C-CD 3.44Å; L3950-P3952 VanDerWaalsContact C-N 3.31Å; L3950-L3953 HydrophobicContact CD2-CD1 4.36Å; L3950-L3953 CarbonylContact O-C 3.59Å; L3950-L3953 WeakPolarHBondContact O-CA 3.28Å; L3950-L3953 WeakPolarHBondContact O-CB 3.2Å; L3950-L3953 PolarHBondContact O-N 3.1Å; L3950-L3953 VanDerWaalsContact O-N 3.11Å; L3950-W3954 VanDerWaalsContact O-CD1 3.24Å; L3950-W3954 PolarHBondContact O-N 3.3Å |
| 3951 | I | 55.2 | Low | 50 | Low | 15.75 Ų | 15.75 | 44 Ų | 44 | 8% | 0.081 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.8 | -42 | -177.4 | -72.3 | 155 | 0 | 0 | 0 | 113.7 | Y3926 T3947 L3953 W3954 L3955 M4033 | Y3926-I3951 HydrophobicContact CD1-CD1 3.93Å; Y3926-I3951 HydrophobicContact CD1-CG2 4.31Å; Y3926-I3951 HydrophobicContact CD2-CD1 3.33Å; Y3926-I3951 VanDerWaalsContact CD2-CD1 3.41Å; Y3926-I3951 HydrophobicContact CD2-CG1 4.44Å; Y3926-I3951 HydrophobicContact CD2-CG2 4.49Å; Y3926-I3951 HydrophobicContact CE1-CD1 4.46Å; Y3926-I3951 HydrophobicContact CE1-CG2 4.27Å; Y3926-I3951 HydrophobicContact CE2-CD1 4.1Å; Y3926-I3951 HydrophobicContact CG-CD1 3.54Å; Y3926-I3951 HydrophobicContact CG-CG1 4.34Å; Y3926-I3951 HydrophobicContact CG-CG2 4.39Å; T3947-I3951 VanDerWaalsContact O-CD1 3.28Å; T3947-I3951 WeakPolarHBondContact O-CD1 3.37Å; T3947-I3951 VanDerWaalsContact O-CG1 3.29Å; T3947-I3951 WeakPolarHBondContact O-CG1 3.42Å; T3947-I3951 PolarHBondContact O-N 3.1Å; T3947-I3951 VanDerWaalsContact O-N 3.1Å; I3951-L3953 VanDerWaalsContact C-N 3.31Å; I3951-L3953 PolarHBondContact O-N 2.87Å; I3951-W3954 WeakPolarHBondContact O-CB 3.37Å; I3951-W3954 PolarHBondContact O-N 3.2Å; I3951-W3954 VanDerWaalsContact O-N 3.14Å; I3951-L3955 HydrophobicContact CG2-CD1 3.8Å; I3951-L3955 HydrophobicContact CG2-CG 4.35Å; I3951-L3955 VanDerWaalsContact O-CB 3.23Å; I3951-L3955 WeakPolarHBondContact O-CB 3.36Å; I3951-L3955 WeakPolarHBondContact O-CD1 3.39Å; I3951-L3955 WeakPolarHBondContact O-CG 3.35Å; I3951-L3955 PolarHBondContact O-N 3.09Å; I3951-M4033 HydrophobicContact CB-CE 3.84Å; I3951-M4033 HydrophobicContact CG2-CE 3.36Å |
| 3952 | P | 52.5 | Low | 50.5 | Low | 15.25 Ų | 15.25 | 42.3 Ų | 42.3 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.4 | -44 | 172.2 | -28.3 | 37 | 0 | 0 | 0 | 113.3 | I3845 I3849 N3948 K3949 L3950 W3954 L3955 H3956 M4033 | I3845-P3952 HydrophobicContact CG2-CB 4.42Å; I3849-P3952 HydrophobicContact CD1-CB 3.92Å; I3849-P3952 HydrophobicContact CG1-CB 4.49Å; N3948-P3952 VanDerWaalsContact O-CD 3.28Å; N3948-P3952 WeakPolarHBondContact O-CD 3.36Å; K3949-P3952 WeakPolarHBondContact O-CD 3.44Å; L3950-P3952 VanDerWaalsContact C-CD 3.44Å; L3950-P3952 VanDerWaalsContact C-N 3.31Å; P3952-W3954 VanDerWaalsContact C-N 3.3Å; P3952-W3954 PolarHBondContact O-N 3.24Å; P3952-L3955 WeakPolarHBondContact O-CB 3.4Å; P3952-L3955 PolarHBondContact O-N 3.07Å; P3952-H3956 WeakPolarHBondContact O-CB 3.46Å; P3952-H3956 PolarHBondContact O-N 3.19Å; P3952-M4033 HydrophobicContact CB-CE 3.15Å; P3952-M4033 HydrophobicContact CB-SD 3.61Å; P3952-M4033 HydrophobicContact CG-CE 3.51Å; P3952-M4033 HydrophobicContact CG-SD 3.66Å; P3952-M4033 WeakPolarHBondContact CG-SD 3.33Å |
| 3953 | L | 54 | Low | 50.6 | Low | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.063 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.3 | -42.6 | 175.4 | -92.5 | 146.4 | 0 | 0 | 0 | 111.2 | I3794 L3797 I3845 L3848 F3852 L3857 L3861 F3865 L3950 I3951 L3955 H3956 F3957 | I3794-L3953 HydrophobicContact CD1-CD1 3.96Å; I3794-L3953 HydrophobicContact CG1-CD1 3.77Å; L3797-L3953 HydrophobicContact CD1-CD2 4.11Å; I3845-L3953 HydrophobicContact CG2-CD1 4.18Å; I3845-L3953 HydrophobicContact CG2-CG 4.37Å; L3848-L3953 HydrophobicContact CD2-CD1 4.28Å; L3848-L3953 HydrophobicContact CD2-CD2 4Å; F3852-L3953 HydrophobicContact CE1-CD2 4.27Å; F3852-L3953 HydrophobicContact CZ-CD2 3.89Å; L3857-L3953 HydrophobicContact CD2-CD2 3.79Å; L3861-L3953 HydrophobicContact CD1-CD2 4.01Å; L3861-L3953 HydrophobicContact CD2-CD2 3.85Å; L3861-L3953 HydrophobicContact CG-CD2 4.33Å; F3865-L3953 HydrophobicContact CZ-CB 4.06Å; L3950-L3953 HydrophobicContact CD2-CD1 4.36Å; L3950-L3953 CarbonylContact O-C 3.59Å; L3950-L3953 WeakPolarHBondContact O-CA 3.28Å; L3950-L3953 WeakPolarHBondContact O-CB 3.2Å; L3950-L3953 PolarHBondContact O-N 3.1Å; L3950-L3953 VanDerWaalsContact O-N 3.11Å; I3951-L3953 VanDerWaalsContact C-N 3.31Å; I3951-L3953 PolarHBondContact O-N 2.87Å; L3953-L3955 VanDerWaalsContact C-N 3.35Å; L3953-L3955 PolarHBondContact O-N 3.37Å; L3953-H3956 PolarHBondContact O-N 3.32Å; L3953-F3957 VanDerWaalsContact O-CB 3.24Å; L3953-F3957 WeakPolarHBondContact O-CB 3.31Å; L3953-F3957 PolarHBondContact O-N 3.19Å; L3953-F3957 VanDerWaalsContact O-N 3.1Å |
| 3954 | W | 56.6 | Low | 50.7 | Low | 17.25 Ų | 17.25 | 45.3 Ų | 45.3 | 7% | 0.065 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.6 | -47.9 | 174.6 | -86.3 | 85.4 | 0 | 0 | 0 | 112.1 | F3865 F3871 L3915 L3918 F3919 N3922 L3950 I3951 P3952 H3956 F3957 L3958 | F3865-W3954 HydrophobicContact CB-CH2 4.02Å; F3865-W3954 HydrophobicContact CB-CZ2 3.82Å; F3865-W3954 AromaticContact CD1-CD1 3.89Å; F3865-W3954 AromaticContact CD1-CE2 3.61Å; F3865-W3954 HydrophobicContact CD1-CH2 4.23Å; F3865-W3954 AromaticContact CD1-CZ2 3.43Å; F3865-W3954 HydrophobicContact CD1-CZ2 3.43Å; F3865-W3954 VanDerWaalsContact CD1-CZ2 3.44Å; F3865-W3954 AromaticContact CD1-NE1 3.6Å; F3865-W3954 AromaticContact CD2-CD1 3.91Å; F3865-W3954 AromaticContact CD2-CE2 3.96Å; F3865-W3954 AromaticContact CD2-CH2 3.74Å; F3865-W3954 HydrophobicContact CD2-CH2 3.74Å; F3865-W3954 AromaticContact CD2-CZ2 3.65Å; F3865-W3954 HydrophobicContact CD2-CZ2 3.91Å; F3865-W3954 HydrophobicContact CD2-CZ3 4.21Å; F3865-W3954 AromaticContact CD2-NE1 3.35Å; F3865-W3954 AromaticContact CE1-CD1 3.66Å; F3865-W3954 HydrophobicContact CE1-CD2 4.29Å; F3865-W3954 AromaticContact CE1-CE2 3.53Å; F3865-W3954 VanDerWaalsContact CE1-CE2 3.42Å; F3865-W3954 HydrophobicContact CE1-CG 4.4Å; F3865-W3954 HydrophobicContact CE1-CH2 4.4Å; F3865-W3954 AromaticContact CE1-CZ2 3.71Å; F3865-W3954 HydrophobicContact CE1-CZ2 3.71Å; F3865-W3954 AromaticContact CE1-NE1 3.22Å; F3865-W3954 VanDerWaalsContact CE1-NE1 3.33Å; F3865-W3954 AromaticContact CE2-CD1 3.54Å; F3865-W3954 HydrophobicContact CE2-CD2 4.34Å; F3865-W3954 AromaticContact CE2-CE2 3.92Å; F3865-W3954 HydrophobicContact CE2-CE3 4.44Å; F3865-W3954 HydrophobicContact CE2-CG 4.36Å; F3865-W3954 HydrophobicContact CE2-CH2 4.25Å; F3865-W3954 AromaticContact CE2-CZ2 4Å; F3865-W3954 HydrophobicContact CE2-CZ2 4.04Å; F3865-W3954 HydrophobicContact CE2-CZ3 4.31Å; F3865-W3954 AromaticContact CE2-NE1 3.64Å; F3865-W3954 AromaticContact CG-CE2 3.87Å; F3865-W3954 AromaticContact CG-CH2 3.75Å; F3865-W3954 HydrophobicContact CG-CH2 3.75Å; F3865-W3954 AromaticContact CG-CZ2 3.29Å; F3865-W3954 HydrophobicContact CG-CZ2 3.73Å; F3865-W3954 AromaticContact CG-NE1 3.19Å; F3865-W3954 AromaticContact CZ-CD1 3.58Å; F3865-W3954 HydrophobicContact CZ-CD2 4.11Å; F3865-W3954 AromaticContact CZ-CE2 3.74Å; F3865-W3954 HydrophobicContact CZ-CG 4.34Å; F3865-W3954 HydrophobicContact CZ-CH2 4.44Å; F3865-W3954 AromaticContact CZ-CZ2 4Å; F3865-W3954 HydrophobicContact CZ-CZ2 4.12Å; F3865-W3954 AromaticContact CZ-NE1 3.32Å; F3871-W3954 HydrophobicContact CE2-CZ2 4.25Å; F3871-W3954 AromaticContact CZ-CH2 3.92Å; F3871-W3954 HydrophobicContact CZ-CH2 3.92Å; F3871-W3954 AromaticContact CZ-CZ2 3.95Å; F3871-W3954 HydrophobicContact CZ-CZ2 3.95Å; L3915-W3954 HydrophobicContact CD2-CH2 3.85Å; L3915-W3954 HydrophobicContact CD2-CZ3 3.76Å; L3918-W3954 HydrophobicContact CB-CH2 4.22Å; L3918-W3954 HydrophobicContact CB-CZ3 4.31Å; L3918-W3954 HydrophobicContact CD1-CH2 3.69Å; L3918-W3954 HydrophobicContact CD1-CZ2 4.21Å; L3918-W3954 HydrophobicContact CD1-CZ3 4.46Å; L3918-W3954 HydrophobicContact CD2-CD2 4.2Å; L3918-W3954 HydrophobicContact CD2-CE3 4.08Å; L3918-W3954 HydrophobicContact CD2-CH2 3.37Å; L3918-W3954 VanDerWaalsContact CD2-CH2 3.42Å; L3918-W3954 HydrophobicContact CD2-CZ2 3.77Å; L3918-W3954 HydrophobicContact CD2-CZ3 3.42Å; L3918-W3954 HydrophobicContact CG-CH2 4.13Å; L3918-W3954 HydrophobicContact CG-CZ2 4.37Å; L3918-W3954 HydrophobicContact CG-CZ3 4.43Å; F3919-W3954 HydrophobicContact CD2-CB 4.09Å; F3919-W3954 AromaticContact CD2-CE3 3.9Å; F3919-W3954 HydrophobicContact CD2-CE3 3.9Å; F3919-W3954 HydrophobicContact CE2-CB 3.58Å; F3919-W3954 HydrophobicContact CE2-CE3 4.46Å; F3919-W3954 VanDerWaalsContact CE2-O 3.24Å; F3919-W3954 WeakPolarHBondContact CE2-O 2.79Å; N3922-W3954 HydrophobicContact CB-CE3 3.77Å; N3922-W3954 HydrophobicContact CB-CH2 3.73Å; N3922-W3954 HydrophobicContact CB-CZ3 3.23Å; N3922-W3954 WeakPolarHBondContact ND2-CH2 3.26Å; N3922-W3954 WeakPolarHBondContact ND2-CZ3 3.34Å; N3922-W3954 PolarHBondContact ND2-NE1 3.03Å; N3922-W3954 VanDerWaalsContact ND2-NE1 3.2Å; L3950-W3954 VanDerWaalsContact O-CD1 3.24Å; L3950-W3954 PolarHBondContact O-N 3.3Å; I3951-W3954 WeakPolarHBondContact O-CB 3.37Å; I3951-W3954 PolarHBondContact O-N 3.2Å; I3951-W3954 VanDerWaalsContact O-N 3.14Å; P3952-W3954 VanDerWaalsContact C-N 3.3Å; P3952-W3954 PolarHBondContact O-N 3.24Å; W3954-H3956 VanDerWaalsContact C-N 3.31Å; W3954-H3956 PolarHBondContact O-N 3.17Å; W3954-F3957 AromaticContact CE3-CD1 3.99Å; W3954-F3957 HydrophobicContact CE3-CD1 4.23Å; W3954-F3957 HydrophobicContact CE3-CE1 4.49Å; W3954-F3957 AromaticContact CZ3-CD1 3.85Å; W3954-F3957 HydrophobicContact CZ3-CD1 3.85Å; W3954-F3957 AromaticContact CZ3-CE1 3.89Å; W3954-F3957 HydrophobicContact CZ3-CE1 3.89Å; W3954-F3957 WeakPolarHBondContact O-CB 3.4Å; W3954-F3957 PolarHBondContact O-N 3.06Å; W3954-F3957 VanDerWaalsContact O-N 3.09Å; W3954-L3958 HydrophobicContact CE3-CD1 4.07Å; W3954-L3958 HydrophobicContact CE3-CD2 4.48Å; W3954-L3958 HydrophobicContact CE3-CG 4.11Å; W3954-L3958 HydrophobicContact CZ3-CD1 4.48Å; W3954-L3958 HydrophobicContact CZ3-CD2 4.39Å; W3954-L3958 WeakPolarHBondContact O-CB 3.38Å; W3954-L3958 WeakPolarHBondContact O-CD1 3.25Å; W3954-L3958 VanDerWaalsContact O-CG 3.3Å; W3954-L3958 WeakPolarHBondContact O-CG 3.39Å; W3954-L3958 PolarHBondContact O-N 3.1Å |
| 3955 | L | 55 | Low | 50.3 | Low | 20 Ų | 20 | 47.4 Ų | 47.4 | 11% | 0.105 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.5 | -43 | 179.5 | -79.9 | 164.5 | 0 | 0 | 0 | 111.6 | F3919 I3951 P3952 L3953 F3957 L3958 K3959 L3975 T3979 S3982 M4033 D4037 L4038 I4041 L4044 | F3919-L3955 HydrophobicContact CD2-CD2 4.26Å; F3919-L3955 HydrophobicContact CE1-CD2 4.32Å; F3919-L3955 HydrophobicContact CE2-CD2 3.42Å; F3919-L3955 HydrophobicContact CE2-CG 4.19Å; F3919-L3955 HydrophobicContact CZ-CD2 3.81Å; F3919-L3955 HydrophobicContact CZ-CG 4.02Å; I3951-L3955 HydrophobicContact CG2-CD1 3.8Å; I3951-L3955 HydrophobicContact CG2-CG 4.35Å; I3951-L3955 VanDerWaalsContact O-CB 3.23Å; I3951-L3955 WeakPolarHBondContact O-CB 3.36Å; I3951-L3955 WeakPolarHBondContact O-CD1 3.39Å; I3951-L3955 WeakPolarHBondContact O-CG 3.35Å; I3951-L3955 PolarHBondContact O-N 3.09Å; P3952-L3955 WeakPolarHBondContact O-CB 3.4Å; P3952-L3955 PolarHBondContact O-N 3.07Å; L3953-L3955 VanDerWaalsContact C-N 3.35Å; L3953-L3955 PolarHBondContact O-N 3.37Å; L3955-F3957 VanDerWaalsContact C-N 3.34Å; L3955-L3958 PolarHBondContact O-N 2.96Å; L3955-K3959 PolarHBondContact O-N 3.34Å; L3955-L3975 HydrophobicContact CD2-CD2 4.35Å; L3955-T3979 HydrophobicContact CB-CG2 3.84Å; L3955-T3979 HydrophobicContact CD2-CG2 3.51Å; L3955-T3979 HydrophobicContact CG-CG2 4.3Å; L3955-T3979 WeakPolarHBondContact O-CG2 3.43Å; L3955-S3982 WeakPolarHBondContact CD1-OG 3.23Å; L3955-M4033 HydrophobicContact CD1-CE 3.9Å; L3955-D4037 HydrophobicContact CD1-CB 3.84Å; L3955-L4038 HydrophobicContact CD1-CD2 4.47Å; L3955-L4038 HydrophobicContact CD2-CD2 4.44Å; L3955-I4041 HydrophobicContact CD2-CD1 4.26Å; L3955-L4044 HydrophobicContact CD2-CD1 4.05Å; L3955-L4044 HydrophobicContact CD2-CD2 3.53Å; L3955-L4044 HydrophobicContact CD2-CG 4.46Å |
| 3956 | H | 53.4 | Low | 50 | Low | 34.75 Ų | 34.75 | 50.2 Ų | 50.2 | 16% | 0.161 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 176.1 | -139.3 | 71.4 | 0 | 0 | 0 | 112.2 | F3852 I3854 L3857 P3952 L3953 W3954 L3958 K3959 H3960 D4037 | F3852-H3956 AromaticContact CD1-NE2 3.97Å; F3852-H3956 AromaticContact CD2-CE1 3.31Å; F3852-H3956 WeakPolarHBondContact CD2-CE1 3.46Å; F3852-H3956 AromaticContact CD2-NE2 3.45Å; F3852-H3956 WeakPolarHBondContact CD2-NE2 3.19Å; F3852-H3956 AromaticContact CE1-NE2 3.98Å; F3852-H3956 AromaticContact CE2-CE1 3.22Å; F3852-H3956 WeakPolarHBondContact CE2-CE1 3.46Å; F3852-H3956 AromaticContact CE2-NE2 3.39Å; F3852-H3956 WeakPolarHBondContact CE2-NE2 3.44Å; F3852-H3956 AromaticContact CG-CE1 3.99Å; F3852-H3956 AromaticContact CG-NE2 3.69Å; F3852-H3956 AromaticContact CZ-CE1 3.91Å; F3852-H3956 AromaticContact CZ-NE2 3.64Å; I3854-H3956 HydrophobicContact CD1-CB 4.38Å; I3854-H3956 WeakPolarHBondContact CD1-CD2 3.43Å; I3854-H3956 WeakPolarHBondContact CD1-NE2 3.3Å; L3857-H3956 HydrophobicContact CD1-CB 4.34Å; P3952-H3956 WeakPolarHBondContact O-CB 3.46Å; P3952-H3956 PolarHBondContact O-N 3.19Å; L3953-H3956 PolarHBondContact O-N 3.32Å; W3954-H3956 VanDerWaalsContact C-N 3.31Å; W3954-H3956 PolarHBondContact O-N 3.17Å; H3956-L3958 VanDerWaalsContact C-N 3.29Å; H3956-L3958 PolarHBondContact O-N 3.11Å; H3956-K3959 VanDerWaalsContact O-CB 3.26Å; H3956-K3959 WeakPolarHBondContact O-CB 3.23Å; H3956-K3959 PolarHBondContact O-N 3.29Å; H3956-H3960 AromaticContact NE2-NE2 3.87Å; H3956-H3960 PolarHBondContact O-CD2 3.2Å; H3956-D4037 IonicContact CE1-OD1 2.7Å; H3956-D4037 IonicContact ND1-OD1 2.76Å; H3956-D4037 IonicContact ND1-OD2 2.73Å; H3956-D4037 PolarHBondContact ND1-OD2 3.01Å |
| 3957 | F | 54.3 | Low | 49.4 | Very low | 13.5 Ų | 13.5 | 55.7 Ų | 55.7 | 6% | 0.059 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 176.2 | -174.4 | -94 | 0 | 0 | 0 | 112.6 | L3857 D3858 I3862 F3865 L3915 L3953 W3954 L3955 K3959 H3960 L3961 | L3857-F3957 HydrophobicContact CB-CD2 3.78Å; L3857-F3957 HydrophobicContact CB-CE2 3.52Å; L3857-F3957 HydrophobicContact CB-CZ 4.24Å; L3857-F3957 HydrophobicContact CD1-CB 4.36Å; L3857-F3957 HydrophobicContact CD1-CD2 4.01Å; L3857-F3957 HydrophobicContact CD1-CG 4.44Å; L3857-F3957 HydrophobicContact CD2-CD2 4.46Å; L3857-F3957 HydrophobicContact CG-CD2 4.31Å; L3857-F3957 WeakPolarHBondContact O-CE2 3.46Å; L3857-F3957 WeakPolarHBondContact O-CZ 3.28Å; D3858-F3957 HydrophobicContact CB-CD2 4.16Å; D3858-F3957 HydrophobicContact CB-CE2 3.72Å; D3858-F3957 VanDerWaalsContact OD1-CD2 3.3Å; D3858-F3957 WeakPolarHBondContact OD1-CD2 3.3Å; I3862-F3957 HydrophobicContact CB-CZ 4.45Å; I3862-F3957 HydrophobicContact CD1-CD1 4.49Å; I3862-F3957 HydrophobicContact CD1-CE1 3.82Å; I3862-F3957 HydrophobicContact CD1-CE2 3.69Å; I3862-F3957 HydrophobicContact CD1-CZ 3.36Å; I3862-F3957 HydrophobicContact CG1-CD1 4.49Å; I3862-F3957 HydrophobicContact CG1-CD2 4.27Å; I3862-F3957 HydrophobicContact CG1-CE1 4.01Å; I3862-F3957 HydrophobicContact CG1-CE2 3.4Å; I3862-F3957 VanDerWaalsContact CG1-CE2 3.44Å; I3862-F3957 HydrophobicContact CG1-CZ 3.16Å; F3865-F3957 HydrophobicContact CE2-CG 4.49Å; L3915-F3957 HydrophobicContact CD2-CE1 4.15Å; L3915-F3957 HydrophobicContact CD2-CZ 4.02Å; L3953-F3957 VanDerWaalsContact O-CB 3.24Å; L3953-F3957 WeakPolarHBondContact O-CB 3.31Å; L3953-F3957 PolarHBondContact O-N 3.19Å; L3953-F3957 VanDerWaalsContact O-N 3.1Å; W3954-F3957 AromaticContact CE3-CD1 3.99Å; W3954-F3957 HydrophobicContact CE3-CD1 4.23Å; W3954-F3957 HydrophobicContact CE3-CE1 4.49Å; W3954-F3957 AromaticContact CZ3-CD1 3.85Å; W3954-F3957 HydrophobicContact CZ3-CD1 3.85Å; W3954-F3957 AromaticContact CZ3-CE1 3.89Å; W3954-F3957 HydrophobicContact CZ3-CE1 3.89Å; W3954-F3957 WeakPolarHBondContact O-CB 3.4Å; W3954-F3957 PolarHBondContact O-N 3.06Å; W3954-F3957 VanDerWaalsContact O-N 3.09Å; L3955-F3957 VanDerWaalsContact C-N 3.34Å; F3957-K3959 VanDerWaalsContact C-N 3.29Å; F3957-K3959 PolarHBondContact O-N 2.92Å; F3957-H3960 PolarHBondContact O-N 3.19Å; F3957-L3961 HydrophobicContact CD1-CB 4.4Å; F3957-L3961 HydrophobicContact CD1-CD1 3.82Å; F3957-L3961 HydrophobicContact CD1-CG 4.01Å; F3957-L3961 HydrophobicContact CD2-CD1 3.99Å; F3957-L3961 HydrophobicContact CE1-CD1 3.24Å; F3957-L3961 HydrophobicContact CE1-CG 3.96Å; F3957-L3961 HydrophobicContact CE2-CD1 3.64Å; F3957-L3961 HydrophobicContact CE2-CG 4.43Å; F3957-L3961 HydrophobicContact CG-CD1 4.31Å; F3957-L3961 HydrophobicContact CZ-CD1 3.02Å; F3957-L3961 VanDerWaalsContact CZ-CD1 3.42Å; F3957-L3961 HydrophobicContact CZ-CG 4.22Å; F3957-L3961 PolarHBondContact O-N 3.07Å; F3957-L3961 VanDerWaalsContact O-N 3.13Å |
| 3958 | L | 53.6 | Low | 49 | Very low | 5.25 Ų | 5.25 | 58.4 Ų | 58.4 | 3% | 0.027 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.8 | -30.2 | -179.6 | -90.1 | 146.9 | 0 | 0 | 0 | 113.6 | L3915 Y3916 F3919 W3954 L3955 H3956 H3960 L3961 I3962 L3975 | L3915-L3958 HydrophobicContact CB-CD2 4.13Å; Y3916-L3958 HydrophobicContact CD1-CD1 4.07Å; Y3916-L3958 HydrophobicContact CE1-CD1 4.45Å; F3919-L3958 HydrophobicContact CB-CD1 3.7Å; F3919-L3958 VanDerWaalsContact CB-CD1 3.42Å; F3919-L3958 HydrophobicContact CB-CD2 3.94Å; F3919-L3958 HydrophobicContact CD1-CD1 3.96Å; F3919-L3958 HydrophobicContact CD1-CD2 3.77Å; F3919-L3958 HydrophobicContact CD1-CG 4.11Å; F3919-L3958 HydrophobicContact CD2-CB 4.16Å; F3919-L3958 HydrophobicContact CD2-CD1 3.18Å; F3919-L3958 HydrophobicContact CD2-CD2 4.1Å; F3919-L3958 HydrophobicContact CD2-CG 4.29Å; F3919-L3958 HydrophobicContact CE1-CB 4.11Å; F3919-L3958 HydrophobicContact CE1-CD1 3.9Å; F3919-L3958 HydrophobicContact CE1-CD2 3.58Å; F3919-L3958 HydrophobicContact CE1-CG 4.03Å; F3919-L3958 HydrophobicContact CE2-CB 3.66Å; F3919-L3958 HydrophobicContact CE2-CD1 3.78Å; F3919-L3958 VanDerWaalsContact CE2-CD1 3.41Å; F3919-L3958 HydrophobicContact CE2-CG 4.13Å; F3919-L3958 HydrophobicContact CG-CD1 3.48Å; F3919-L3958 HydrophobicContact CG-CD2 4.12Å; F3919-L3958 HydrophobicContact CG-CG 4.17Å; F3919-L3958 HydrophobicContact CZ-CB 3.66Å; F3919-L3958 HydrophobicContact CZ-CD1 4.2Å; F3919-L3958 HydrophobicContact CZ-CD2 4.03Å; F3919-L3958 HydrophobicContact CZ-CG 4.07Å; W3954-L3958 HydrophobicContact CE3-CD1 4.07Å; W3954-L3958 HydrophobicContact CE3-CD2 4.48Å; W3954-L3958 HydrophobicContact CE3-CG 4.11Å; W3954-L3958 HydrophobicContact CZ3-CD1 4.48Å; W3954-L3958 HydrophobicContact CZ3-CD2 4.39Å; W3954-L3958 WeakPolarHBondContact O-CB 3.38Å; W3954-L3958 WeakPolarHBondContact O-CD1 3.25Å; W3954-L3958 VanDerWaalsContact O-CG 3.3Å; W3954-L3958 WeakPolarHBondContact O-CG 3.39Å; W3954-L3958 PolarHBondContact O-N 3.1Å; L3955-L3958 PolarHBondContact O-N 2.96Å; H3956-L3958 VanDerWaalsContact C-N 3.29Å; H3956-L3958 PolarHBondContact O-N 3.11Å; L3958-H3960 PolarHBondContact O-N 3.07Å; L3958-L3961 PolarHBondContact O-N 3.13Å; L3958-I3962 HydrophobicContact CB-CD1 4.31Å; L3958-I3962 HydrophobicContact CD2-CD1 4.18Å; L3958-I3962 HydrophobicContact CD2-CG1 4.35Å; L3958-I3962 WeakPolarHBondContact O-CG1 3.31Å; L3958-I3962 PolarHBondContact O-N 3.11Å; L3958-I3962 VanDerWaalsContact O-N 3.1Å; L3958-L3975 HydrophobicContact CB-CD2 3.95Å; L3958-L3975 HydrophobicContact CD1-CD2 4.16Å |
| 3959 | K | 53.3 | Low | 48.5 | Very low | 89 Ų | 89 | 63.8 Ų | 63.8 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -56.7 | -30 | 173.8 | -172.3 | -177 | 173.2 | -175 | 0 | 112.1 | L3955 H3956 F3957 H3972 L3976 D4037 | L3955-K3959 PolarHBondContact O-N 3.34Å; H3956-K3959 VanDerWaalsContact O-CB 3.26Å; H3956-K3959 WeakPolarHBondContact O-CB 3.23Å; H3956-K3959 PolarHBondContact O-N 3.29Å; F3957-K3959 VanDerWaalsContact C-N 3.29Å; F3957-K3959 PolarHBondContact O-N 2.92Å; K3959-H3972 PolarHBondContact O-CE1 3.29Å; K3959-H3972 PolarHBondContact O-NE2 3.13Å; K3959-L3976 HydrophobicContact CD-CD2 4.48Å; K3959-D4037 IonicContact NZ-OD1 2.75Å |
| 3960 | H | 50.2 | Low | 47.9 | Very low | 75.5 Ų | 75.5 | 66.7 Ų | 66.7 | 35% | 0.35 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -96.1 | -30.5 | -179.4 | -74.4 | -84.9 | 0 | 0 | 0 | 113.7 | I3854 D3855 H3956 F3957 L3958 | I3854-H3960 WeakPolarHBondContact CD1-CE1 3.27Å; I3854-H3960 VanDerWaalsContact CD1-NE2 3.3Å; I3854-H3960 WeakPolarHBondContact CD1-NE2 3.45Å; I3854-H3960 WeakPolarHBondContact CG1-NE2 3.36Å; I3854-H3960 HydrophobicContact CG2-CB 3.8Å; I3854-H3960 WeakPolarHBondContact CG2-CD2 3.37Å; I3854-H3960 VanDerWaalsContact CG2-NE2 3.34Å; I3854-H3960 WeakPolarHBondContact CG2-NE2 3.32Å; D3855-H3960 IonicContact OD1-CE1 2.86Å; D3855-H3960 IonicContact OD1-ND1 2.76Å; H3956-H3960 AromaticContact NE2-NE2 3.87Å; H3956-H3960 PolarHBondContact O-CD2 3.2Å; F3957-H3960 PolarHBondContact O-N 3.19Å; L3958-H3960 PolarHBondContact O-N 3.07Å |
| 3961 | L | 49.2 | Very low | 47.2 | Very low | 32.25 Ų | 32.25 | 70.6 Ų | 70.6 | 17% | 0.169 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -82.1 | -24.9 | -178.9 | -101.2 | 164.3 | 0 | 0 | 0 | 115.2 | I3862 L3900 L3915 Y3916 F3957 L3958 P3963 | I3862-L3961 HydrophobicContact CD1-CD1 4.24Å; L3900-L3961 HydrophobicContact CD1-CD2 3.65Å; L3915-L3961 HydrophobicContact CB-CD1 4.33Å; L3915-L3961 HydrophobicContact CD1-CB 4.26Å; L3915-L3961 HydrophobicContact CD1-CD1 3.94Å; L3915-L3961 HydrophobicContact CD1-CD2 4.27Å; L3915-L3961 HydrophobicContact CD1-CG 4.32Å; Y3916-L3961 PolarHBondContact OH-O 3.41Å; F3957-L3961 HydrophobicContact CD1-CB 4.4Å; F3957-L3961 HydrophobicContact CD1-CD1 3.82Å; F3957-L3961 HydrophobicContact CD1-CG 4.01Å; F3957-L3961 HydrophobicContact CD2-CD1 3.99Å; F3957-L3961 HydrophobicContact CE1-CD1 3.24Å; F3957-L3961 HydrophobicContact CE1-CG 3.96Å; F3957-L3961 HydrophobicContact CE2-CD1 3.64Å; F3957-L3961 HydrophobicContact CE2-CG 4.43Å; F3957-L3961 HydrophobicContact CG-CD1 4.31Å; F3957-L3961 HydrophobicContact CZ-CD1 3.02Å; F3957-L3961 VanDerWaalsContact CZ-CD1 3.42Å; F3957-L3961 HydrophobicContact CZ-CG 4.22Å; F3957-L3961 PolarHBondContact O-N 3.07Å; F3957-L3961 VanDerWaalsContact O-N 3.13Å; L3958-L3961 PolarHBondContact O-N 3.13Å; L3961-P3963 VanDerWaalsContact O-CD 3.25Å; L3961-P3963 WeakPolarHBondContact O-CD 3.4Å |
| 3962 | I | 48.3 | Very low | 46.4 | Very low | 47.75 Ų | 47.75 | 72.9 Ų | 72.9 | 25% | 0.245 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -78.2 | 103.8 | 173.2 | -60.5 | 166.8 | 0 | 0 | 0 | 106.7 | Y3916 L3958 K3964 H3972 L3975 | Y3916-I3962 HydrophobicContact CD2-CD1 4.42Å; Y3916-I3962 HydrophobicContact CE1-CG1 4.31Å; L3958-I3962 HydrophobicContact CB-CD1 4.31Å; L3958-I3962 HydrophobicContact CD2-CD1 4.18Å; L3958-I3962 HydrophobicContact CD2-CG1 4.35Å; L3958-I3962 WeakPolarHBondContact O-CG1 3.31Å; L3958-I3962 PolarHBondContact O-N 3.11Å; L3958-I3962 VanDerWaalsContact O-N 3.1Å; I3962-K3964 PolarHBondContact O-N 3.29Å; I3962-H3972 PolarHBondContact O-CD2 2.95Å; I3962-H3972 PolarHBondContact O-NE2 3.32Å; I3962-L3975 HydrophobicContact CD1-CD1 3.28Å |
| 3963 | P | 43.2 | Very low | 45.8 | Very low | 60 Ų | 60 | 75.4 Ų | 75.4 | 39% | 0.39 | 38% | 0.375 | S | S | . | . | trans | -59 | 144.7 | 175 | 5.4 | -1 | 0 | 0 | 0 | 108.4 | N3912 Y3916 L3961 D3965 I3966 | N3912-P3963 VanDerWaalsContact ND2-CD 3.31Å; N3912-P3963 WeakPolarHBondContact ND2-CD 3.44Å; Y3916-P3963 WeakPolarHBondContact OH-CD 3.33Å; L3961-P3963 VanDerWaalsContact O-CD 3.25Å; L3961-P3963 WeakPolarHBondContact O-CD 3.4Å; P3963-D3965 HydrophobicContact CB-CB 4.36Å; P3963-D3965 PolarHBondContact O-N 2.84Å; P3963-I3966 PolarHBondContact O-N 3.21Å | ||
| 3964 | K | 42.8 | Very low | 45 | Very low | 164.5 Ų | 164.5 | 80.5 Ų | 80.5 | 72% | 0.715 | 40% | 0.399 | S | S | * | . | trans | -61.5 | 41.5 | 172.7 | -69.1 | -179.3 | 176.6 | 178.5 | 0 | 111.3 | I3962 I3966 E3967 | I3962-K3964 PolarHBondContact O-N 3.29Å; K3964-I3966 VanDerWaalsContact C-N 3.28Å; K3964-I3966 HydrophobicContact CB-CD1 4.35Å; K3964-I3966 PolarHBondContact O-N 3.13Å; K3964-E3967 WeakPolarHBondContact O-CG 3.33Å | ||
| 3965 | D | 37.1 | Very low | 44.1 | Very low | 122.25 Ų | 122.25 | 81.4 Ų | 81.4 | 65% | 0.654 | 40% | 0.404 | S | S | * | . | trans | -66 | 83.3 | 172.1 | -71.6 | -23.9 | 0 | 0 | 0 | 110.1 | P3963 E3967 N3968 | P3963-D3965 HydrophobicContact CB-CB 4.36Å; P3963-D3965 PolarHBondContact O-N 2.84Å; D3965-E3967 PolarHBondContact O-N 3.14Å; D3965-N3968 PolarHBondContact O-N 3.21Å; D3965-N3968 VanDerWaalsContact O-N 3.13Å | ||
| 3966 | I | 37.4 | Very low | 43.2 | Very low | 128.75 Ų | 128.75 | 84.4 Ų | 84.4 | 66% | 0.66 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -73.9 | -2.2 | -174 | -61.7 | 167.9 | 0 | 0 | 0 | 111.2 | P3963 K3964 N3968 | P3963-I3966 PolarHBondContact O-N 3.21Å; K3964-I3966 VanDerWaalsContact C-N 3.28Å; K3964-I3966 HydrophobicContact CB-CD1 4.35Å; K3964-I3966 PolarHBondContact O-N 3.13Å; I3966-N3968 VanDerWaalsContact C-N 3.29Å; I3966-N3968 PolarHBondContact O-N 3.02Å |
| 3967 | E | 36.9 | Very low | 42.5 | Very low | 170 Ų | 170 | 85.8 Ų | 85.8 | 79% | 0.794 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -81.1 | 4.3 | -177.3 | -72.4 | -174.8 | 169.2 | 0 | 0 | 114.3 | K3964 D3965 Q3969 | K3964-E3967 WeakPolarHBondContact O-CG 3.33Å; D3965-E3967 PolarHBondContact O-N 3.14Å; E3967-Q3969 PolarHBondContact O-N 3.26Å; E3967-Q3969 VanDerWaalsContact O-N 3.13Å |
| 3968 | N | 40.4 | Very low | 41.6 | Very low | 91.25 Ų | 91.25 | 88.3 Ų | 88.3 | 49% | 0.488 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -120 | 21.1 | 168.8 | -76.7 | -37.7 | 0 | 0 | 0 | 116.6 | D3965 I3966 N3970 K3971 H3972 | D3965-N3968 PolarHBondContact O-N 3.21Å; D3965-N3968 VanDerWaalsContact O-N 3.13Å; I3966-N3968 VanDerWaalsContact C-N 3.29Å; I3966-N3968 PolarHBondContact O-N 3.02Å; N3968-N3970 PolarHBondContact O-N 3.1Å; N3968-N3970 VanDerWaalsContact O-N 3.1Å; N3968-K3971 PolarHBondContact O-N 3Å; N3968-H3972 PolarHBondContact O-N 3.29Å |
| 3969 | Q | 38.9 | Very low | 40.8 | Very low | 143.5 Ų | 143.5 | 90.1 Ų | 90.1 | 67% | 0.671 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -70.5 | -36 | 176.9 | -73.1 | -174.7 | -9.1 | 0 | 0 | 114.6 | E3967 K3971 H3972 S3973 | E3967-Q3969 PolarHBondContact O-N 3.26Å; E3967-Q3969 VanDerWaalsContact O-N 3.13Å; Q3969-K3971 VanDerWaalsContact C-N 3.31Å; Q3969-K3971 PolarHBondContact O-N 3.01Å; Q3969-H3972 WeakPolarHBondContact O-CB 3.29Å; Q3969-H3972 PolarHBondContact O-N 3.35Å; Q3969-S3973 WeakPolarHBondContact O-CB 3.41Å; Q3969-S3973 PolarHBondContact O-N 3.24Å; Q3969-S3973 PolarHBondContact O-OG 3.06Å |
| 3970 | N | 38.9 | Very low | 39.8 | Very low | 130 Ų | 130 | 90 Ų | 90 | 70% | 0.695 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -70.1 | -29.5 | -177.9 | -68.7 | -11.4 | 0 | 0 | 0 | 113.9 | N3968 S3973 E3974 | N3968-N3970 PolarHBondContact O-N 3.1Å; N3968-N3970 VanDerWaalsContact O-N 3.1Å; N3970-S3973 WeakPolarHBondContact CA-OG 3.31Å; N3970-S3973 PolarHBondContact O-N 2.7Å; N3970-S3973 PolarHBondContact O-OG 3.31Å; N3970-E3974 PolarHBondContact O-N 3.21Å |
| 3971 | K | 40.4 | Very low | 38.9 | Very low | 94.75 Ų | 94.75 | 93.1 Ų | 93.1 | 41% | 0.412 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -75.7 | -30.4 | 176.7 | -74.7 | -177.1 | 179.3 | 174 | 0 | 112.3 | Y3916 N3968 Q3969 S3973 E3974 L3975 | Y3916-K3971 HydrophobicContact CD2-CD 4.28Å; Y3916-K3971 HydrophobicContact CE1-CB 4.41Å; Y3916-K3971 HydrophobicContact CE1-CD 4.27Å; Y3916-K3971 HydrophobicContact CE1-CG 4.1Å; Y3916-K3971 HydrophobicContact CE2-CB 4.19Å; Y3916-K3971 HydrophobicContact CE2-CD 3.91Å; Y3916-K3971 HydrophobicContact CE2-CG 4.16Å; Y3916-K3971 VanDerWaalsContact OH-CB 3.27Å; Y3916-K3971 WeakPolarHBondContact OH-CB 3.49Å; Y3916-K3971 PolarHBondContact OH-O 3.11Å; N3968-K3971 PolarHBondContact O-N 3Å; Q3969-K3971 VanDerWaalsContact C-N 3.31Å; Q3969-K3971 PolarHBondContact O-N 3.01Å; K3971-S3973 PolarHBondContact O-N 2.86Å; K3971-E3974 PolarHBondContact O-N 2.86Å; K3971-L3975 WeakPolarHBondContact O-CB 3.4Å; K3971-L3975 WeakPolarHBondContact O-CD1 3.43Å; K3971-L3975 PolarHBondContact O-N 3.32Å |
| 3972 | H | 38.5 | Very low | 38 | Very low | 62.5 Ų | 62.5 | 95.5 Ų | 95.5 | 29% | 0.289 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -72 | -34.6 | 179.6 | -115.5 | -61.5 | 0 | 0 | 0 | 112.5 | K3959 I3962 N3968 Q3969 E3974 L3975 L3976 H4043 Y4047 | K3959-H3972 PolarHBondContact O-CE1 3.29Å; K3959-H3972 PolarHBondContact O-NE2 3.13Å; I3962-H3972 PolarHBondContact O-CD2 2.95Å; I3962-H3972 PolarHBondContact O-NE2 3.32Å; N3968-H3972 PolarHBondContact O-N 3.29Å; Q3969-H3972 WeakPolarHBondContact O-CB 3.29Å; Q3969-H3972 PolarHBondContact O-N 3.35Å; H3972-E3974 VanDerWaalsContact C-N 3.28Å; H3972-L3975 WeakPolarHBondContact O-CB 3.48Å; H3972-L3975 PolarHBondContact O-N 3.21Å; H3972-L3976 WeakPolarHBondContact O-CB 3.37Å; H3972-L3976 WeakPolarHBondContact O-CD1 3.4Å; H3972-L3976 WeakPolarHBondContact O-CG 3.39Å; H3972-L3976 PolarHBondContact O-N 3.15Å; H3972-H4043 AromaticContact CE1-ND1 3.87Å; H3972-H4043 AromaticContact NE2-CE1 3.45Å; H3972-H4043 PolarHBondContact NE2-CE1 3.11Å; H3972-H4043 AromaticContact NE2-ND1 3.46Å; H3972-H4043 PolarHBondContact NE2-ND1 3.44Å; H3972-Y4047 PolarHBondContact CE1-OH 3.13Å; H3972-Y4047 AromaticContact ND1-CZ 3.72Å; H3972-Y4047 PolarHBondContact ND1-OH 3.22Å |
| 3973 | S | 38.7 | Very low | 37.2 | Very low | 68 Ų | 68 | 96.7 Ų | 96.7 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.1 | -35.7 | 174.7 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | Q3969 N3970 K3971 L3976 S3977 | Q3969-S3973 WeakPolarHBondContact O-CB 3.41Å; Q3969-S3973 PolarHBondContact O-N 3.24Å; Q3969-S3973 PolarHBondContact O-OG 3.06Å; N3970-S3973 WeakPolarHBondContact CA-OG 3.31Å; N3970-S3973 PolarHBondContact O-N 2.7Å; N3970-S3973 PolarHBondContact O-OG 3.31Å; K3971-S3973 PolarHBondContact O-N 2.86Å; S3973-L3976 WeakPolarHBondContact O-CB 3.37Å; S3973-L3976 PolarHBondContact O-N 3.17Å; S3973-S3977 PolarHBondContact O-N 3.24Å |
| 3974 | E | 38.5 | Very low | 36.5 | Very low | 120.5 Ų | 120.5 | 99.8 Ų | 99.8 | 56% | 0.563 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.6 | -37.1 | 171.8 | -79.2 | -175.2 | 152.5 | 0 | 0 | 112.8 | N3970 K3971 H3972 L3976 S3977 V3978 | N3970-E3974 PolarHBondContact O-N 3.21Å; K3971-E3974 PolarHBondContact O-N 2.86Å; H3972-E3974 VanDerWaalsContact C-N 3.28Å; E3974-L3976 VanDerWaalsContact C-N 3.29Å; E3974-L3976 PolarHBondContact O-N 3.18Å; E3974-S3977 WeakPolarHBondContact O-CB 3.14Å; E3974-S3977 PolarHBondContact O-N 2.96Å; E3974-S3977 VanDerWaalsContact O-N 3.15Å; E3974-S3977 PolarHBondContact O-OG 3.15Å; E3974-V3978 VanDerWaalsContact O-CG2 3.29Å; E3974-V3978 WeakPolarHBondContact O-CG2 3.3Å; E3974-V3978 PolarHBondContact O-N 3.23Å; E3974-V3978 VanDerWaalsContact O-N 3.1Å |
| 3975 | L | 36.8 | Very low | 35.9 | Very low | 34.75 Ų | 34.75 | 95.6 Ų | 95.6 | 18% | 0.182 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -66.9 | -37.4 | 173.2 | -99.7 | 155.3 | 0 | 0 | 0 | 112.1 | Y3916 F3919 C3920 L3923 L3955 L3958 I3962 K3971 H3972 S3977 V3978 T3979 Y4047 | Y3916-L3975 HydrophobicContact CD2-CD1 4.09Å; Y3916-L3975 HydrophobicContact CE2-CD1 4.13Å; Y3916-L3975 WeakPolarHBondContact OH-CD1 3.41Å; Y3916-L3975 WeakPolarHBondContact OH-CG 3.34Å; F3919-L3975 HydrophobicContact CD1-CD1 4.35Å; F3919-L3975 HydrophobicContact CD1-CD2 3.66Å; F3919-L3975 HydrophobicContact CD1-CG 3.91Å; F3919-L3975 HydrophobicContact CD2-CD2 4.02Å; F3919-L3975 HydrophobicContact CE1-CD1 4.25Å; F3919-L3975 HydrophobicContact CE1-CD2 3.59Å; F3919-L3975 HydrophobicContact CE1-CG 3.91Å; F3919-L3975 VanDerWaalsContact CE1-CG 3.48Å; F3919-L3975 HydrophobicContact CE2-CD2 3.77Å; F3919-L3975 HydrophobicContact CG-CD2 3.96Å; F3919-L3975 HydrophobicContact CZ-CD2 3.84Å; F3919-L3975 HydrophobicContact CZ-CG 3.93Å; C3920-L3975 HydrophobicContact CB-CD2 4.48Å; L3923-L3975 HydrophobicContact CD2-CD2 4.11Å; L3955-L3975 HydrophobicContact CD2-CD2 4.35Å; L3958-L3975 HydrophobicContact CB-CD2 3.95Å; L3958-L3975 HydrophobicContact CD1-CD2 4.16Å; I3962-L3975 HydrophobicContact CD1-CD1 3.28Å; K3971-L3975 WeakPolarHBondContact O-CB 3.4Å; K3971-L3975 WeakPolarHBondContact O-CD1 3.43Å; K3971-L3975 PolarHBondContact O-N 3.32Å; H3972-L3975 WeakPolarHBondContact O-CB 3.48Å; H3972-L3975 PolarHBondContact O-N 3.21Å; L3975-S3977 VanDerWaalsContact C-N 3.31Å; L3975-S3977 PolarHBondContact O-N 3.46Å; L3975-V3978 PolarHBondContact O-N 3.22Å; L3975-V3978 VanDerWaalsContact O-N 3.16Å; L3975-T3979 WeakPolarHBondContact O-CB 3.49Å; L3975-T3979 WeakPolarHBondContact O-CG2 3.37Å; L3975-T3979 PolarHBondContact O-N 3.45Å; L3975-T3979 PolarHBondContact O-OG1 3.25Å; L3975-Y4047 HydrophobicContact CB-CE1 4.05Å; L3975-Y4047 WeakPolarHBondContact CB-OH 3.08Å; L3975-Y4047 HydrophobicContact CD1-CE2 4.04Å; L3975-Y4047 VanDerWaalsContact CD1-OH 3.3Å; L3975-Y4047 WeakPolarHBondContact CD1-OH 3.48Å; L3975-Y4047 HydrophobicContact CD2-CE1 4.38Å |
| 3976 | L | 36.2 | Very low | 35.7 | Very low | 83.25 Ų | 83.25 | 99.4 Ų | 99.4 | 44% | 0.436 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.8 | -36.8 | 173.7 | -86.8 | 158.7 | 0 | 0 | 0 | 112.5 | K3959 H3972 S3973 E3974 V3978 T3979 T3980 Y4047 | K3959-L3976 HydrophobicContact CD-CD2 4.48Å; H3972-L3976 WeakPolarHBondContact O-CB 3.37Å; H3972-L3976 WeakPolarHBondContact O-CD1 3.4Å; H3972-L3976 WeakPolarHBondContact O-CG 3.39Å; H3972-L3976 PolarHBondContact O-N 3.15Å; S3973-L3976 WeakPolarHBondContact O-CB 3.37Å; S3973-L3976 PolarHBondContact O-N 3.17Å; E3974-L3976 VanDerWaalsContact C-N 3.29Å; E3974-L3976 PolarHBondContact O-N 3.18Å; L3976-V3978 PolarHBondContact O-N 3.01Å; L3976-T3979 VanDerWaalsContact C-OG1 3.32Å; L3976-T3979 VanDerWaalsContact CA-OG1 3.25Å; L3976-T3979 WeakPolarHBondContact CA-OG1 3.29Å; L3976-T3979 PolarHBondContact O-N 3.32Å; L3976-T3979 PolarHBondContact O-OG1 3.2Å; L3976-T3979 VanDerWaalsContact O-OG1 3.04Å; L3976-T3980 WeakPolarHBondContact O-CG2 3.32Å; L3976-T3980 PolarHBondContact O-N 3Å; L3976-T3980 PolarHBondContact O-OG1 3.1Å; L3976-T3980 VanDerWaalsContact O-OG1 3.08Å; L3976-Y4047 HydrophobicContact CD2-CD1 4.3Å; L3976-Y4047 HydrophobicContact CD2-CE1 3.97Å; L3976-Y4047 HydrophobicContact CG-CE1 3.94Å |
| 3977 | S | 38.9 | Very low | 35.8 | Very low | 65 Ų | 65 | 98 Ų | 98 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.7 | -32.7 | 177.8 | 71.4 | 0 | 0 | 0 | 0 | 112.9 | S3973 E3974 L3975 T3979 T3980 M3981 | S3973-S3977 PolarHBondContact O-N 3.24Å; E3974-S3977 WeakPolarHBondContact O-CB 3.14Å; E3974-S3977 PolarHBondContact O-N 2.96Å; E3974-S3977 VanDerWaalsContact O-N 3.15Å; E3974-S3977 PolarHBondContact O-OG 3.15Å; L3975-S3977 VanDerWaalsContact C-N 3.31Å; L3975-S3977 PolarHBondContact O-N 3.46Å; S3977-T3979 PolarHBondContact O-N 2.64Å; S3977-T3980 PolarHBondContact O-N 3.42Å; S3977-T3980 PolarHBondContact O-OG1 3.2Å; S3977-T3980 VanDerWaalsContact O-OG1 3.11Å; S3977-M3981 WeakPolarHBondContact O-CB 3.41Å; S3977-M3981 WeakPolarHBondContact O-CG 3.46Å; S3977-M3981 PolarHBondContact O-N 2.86Å |
| 3978 | V | 35.4 | Very low | 35.9 | Very low | 65.75 Ų | 65.75 | 94.7 Ų | 94.7 | 40% | 0.398 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -76.9 | -28.3 | 178.5 | 178.8 | 0 | 0 | 0 | 0 | 112.3 | F3919 C3920 L3923 R3924 E3974 L3975 L3976 T3980 M3981 S3982 | F3919-V3978 HydrophobicContact CZ-CB 4.38Å; F3919-V3978 HydrophobicContact CZ-CG1 4.43Å; C3920-V3978 HydrophobicContact CB-CG1 4.17Å; C3920-V3978 HydrophobicContact CB-CG2 4.16Å; L3923-V3978 HydrophobicContact CD1-CG1 3.83Å; L3923-V3978 HydrophobicContact CD2-CG1 3.67Å; L3923-V3978 HydrophobicContact CG-CG1 4.28Å; R3924-V3978 HydrophobicContact CB-CG1 4.11Å; E3974-V3978 VanDerWaalsContact O-CG2 3.29Å; E3974-V3978 WeakPolarHBondContact O-CG2 3.3Å; E3974-V3978 PolarHBondContact O-N 3.23Å; E3974-V3978 VanDerWaalsContact O-N 3.1Å; L3975-V3978 PolarHBondContact O-N 3.22Å; L3975-V3978 VanDerWaalsContact O-N 3.16Å; L3976-V3978 PolarHBondContact O-N 3.01Å; V3978-T3980 VanDerWaalsContact C-N 3.33Å; V3978-T3980 PolarHBondContact O-N 3.46Å; V3978-M3981 PolarHBondContact O-N 3.34Å; V3978-S3982 WeakPolarHBondContact O-CB 3.42Å; V3978-S3982 PolarHBondContact O-N 3.3Å; V3978-S3982 VanDerWaalsContact O-N 3.07Å; V3978-S3982 PolarHBondContact O-OG 3.43Å |
| 3979 | T | 36 | Very low | 35.7 | Very low | 43.25 Ų | 43.25 | 94.5 Ų | 94.5 | 27% | 0.265 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -80.2 | -24 | 178.3 | 48.8 | 0 | 0 | 0 | 0 | 113.5 | L3923 L3955 L3975 L3976 S3977 M3981 S3982 S4051 K4055 | L3923-T3979 HydrophobicContact CD2-CG2 4.45Å; L3955-T3979 HydrophobicContact CB-CG2 3.84Å; L3955-T3979 HydrophobicContact CD2-CG2 3.51Å; L3955-T3979 HydrophobicContact CG-CG2 4.3Å; L3955-T3979 WeakPolarHBondContact O-CG2 3.43Å; L3975-T3979 WeakPolarHBondContact O-CB 3.49Å; L3975-T3979 WeakPolarHBondContact O-CG2 3.37Å; L3975-T3979 PolarHBondContact O-N 3.45Å; L3975-T3979 PolarHBondContact O-OG1 3.25Å; L3976-T3979 VanDerWaalsContact C-OG1 3.32Å; L3976-T3979 VanDerWaalsContact CA-OG1 3.25Å; L3976-T3979 WeakPolarHBondContact CA-OG1 3.29Å; L3976-T3979 PolarHBondContact O-N 3.32Å; L3976-T3979 PolarHBondContact O-OG1 3.2Å; L3976-T3979 VanDerWaalsContact O-OG1 3.04Å; S3977-T3979 PolarHBondContact O-N 2.64Å; T3979-M3981 VanDerWaalsContact C-N 3.29Å; T3979-M3981 PolarHBondContact O-N 2.85Å; T3979-S3982 PolarHBondContact O-N 2.9Å; T3979-S3982 PolarHBondContact O-OG 3.05Å; T3979-S4051 WeakPolarHBondContact CB-OG 3.4Å; T3979-S4051 PolarHBondContact O-OG 2.99Å; T3979-K4055 WeakPolarHBondContact O-CE 3.33Å |
| 3980 | T | 33.1 | Very low | 35.7 | Very low | 86.75 Ų | 86.75 | 94.7 Ų | 94.7 | 53% | 0.532 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -84.5 | -13.1 | -177.5 | 49.5 | 0 | 0 | 0 | 0 | 114.4 | L3976 S3977 V3978 S3982 Y4030 | L3976-T3980 WeakPolarHBondContact O-CG2 3.32Å; L3976-T3980 PolarHBondContact O-N 3Å; L3976-T3980 PolarHBondContact O-OG1 3.1Å; L3976-T3980 VanDerWaalsContact O-OG1 3.08Å; S3977-T3980 PolarHBondContact O-N 3.42Å; S3977-T3980 PolarHBondContact O-OG1 3.2Å; S3977-T3980 VanDerWaalsContact O-OG1 3.11Å; V3978-T3980 VanDerWaalsContact C-N 3.33Å; V3978-T3980 PolarHBondContact O-N 3.46Å; T3980-S3982 VanDerWaalsContact C-N 3.31Å; T3980-S3982 PolarHBondContact O-N 3.24Å; T3980-Y4030 HydrophobicContact CG2-CD1 3.91Å; T3980-Y4030 HydrophobicContact CG2-CE1 3.87Å |
| 3981 | M | 30.3 | Very low | 35.8 | Very low | 140 Ų | 140 | 91.2 Ų | 91.2 | 69% | 0.69 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -72.1 | 101.8 | 174.2 | -79.6 | -152.8 | 155.7 | 0 | 0 | 112.8 | S3977 V3978 T3979 V3983 V3985 | S3977-M3981 WeakPolarHBondContact O-CB 3.41Å; S3977-M3981 WeakPolarHBondContact O-CG 3.46Å; S3977-M3981 PolarHBondContact O-N 2.86Å; V3978-M3981 PolarHBondContact O-N 3.34Å; T3979-M3981 VanDerWaalsContact C-N 3.29Å; T3979-M3981 PolarHBondContact O-N 2.85Å; M3981-V3983 PolarHBondContact O-N 3.43Å; M3981-V3985 WeakPolarHBondContact O-CG2 3.49Å |
| 3982 | S | 31.1 | Very low | 35.7 | Very low | 83.5 Ų | 83.5 | 93.8 Ų | 93.8 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | trans | -53.7 | 109 | -179.5 | 52 | 0 | 0 | 0 | 0 | 114 | L3955 V3978 T3979 T3980 D3984 | L3955-S3982 WeakPolarHBondContact CD1-OG 3.23Å; V3978-S3982 WeakPolarHBondContact O-CB 3.42Å; V3978-S3982 PolarHBondContact O-N 3.3Å; V3978-S3982 VanDerWaalsContact O-N 3.07Å; V3978-S3982 PolarHBondContact O-OG 3.43Å; T3979-S3982 PolarHBondContact O-N 2.9Å; T3979-S3982 PolarHBondContact O-OG 3.05Å; T3980-S3982 VanDerWaalsContact C-N 3.31Å; T3980-S3982 PolarHBondContact O-N 3.24Å; S3982-D3984 PolarHBondContact O-N 3.25Å | ||
| 3983 | V | 30.9 | Very low | 36 | Very low | 73.25 Ų | 73.25 | 96.2 Ų | 96.2 | 44% | 0.444 | 52% | 0.516 | S | S | . | . | trans | -82.9 | 96.6 | 173.8 | 177.4 | 0 | 0 | 0 | 0 | 108.8 | N3850 M3981 V3985 Y3990 | N3850-V3983 HydrophobicContact CB-CG1 4.32Å; N3850-V3983 WeakPolarHBondContact O-CB 3.49Å; N3850-V3983 WeakPolarHBondContact O-CG1 3.44Å; N3850-V3983 WeakPolarHBondContact O-CG2 3.32Å; M3981-V3983 PolarHBondContact O-N 3.43Å; V3983-V3985 VanDerWaalsContact O-CG2 3.27Å; V3983-V3985 WeakPolarHBondContact O-CG2 3.35Å; V3983-V3985 PolarHBondContact O-N 3.19Å; V3983-Y3990 HydrophobicContact CG2-CE2 4.27Å | ||
| 3984 | D | 28.8 | Very low | 36.2 | Very low | 124 Ų | 124 | 97.3 Ų | 97.3 | 66% | 0.663 | 51% | 0.514 | S | S | * | . | trans | -77.5 | 97.1 | 175.8 | -112.7 | -17.7 | 0 | 0 | 0 | 111 | S3982 R3986 Y4030 | S3982-D3984 PolarHBondContact O-N 3.25Å; D3984-R3986 PolarHBondContact O-N 3.24Å; D3984-Y4030 WeakPolarHBondContact OD2-CD2 3.39Å | ||
| 3985 | V | 30.9 | Very low | 36.5 | Very low | 77.5 Ų | 77.5 | 93.7 Ų | 93.7 | 47% | 0.47 | 50% | 0.498 | S | S | . | . | trans | -73 | 94.6 | 174.2 | -167.9 | 0 | 0 | 0 | 0 | 111.9 | M3981 V3983 L3988 Y4059 | M3981-V3985 WeakPolarHBondContact O-CG2 3.49Å; V3983-V3985 VanDerWaalsContact O-CG2 3.27Å; V3983-V3985 WeakPolarHBondContact O-CG2 3.35Å; V3983-V3985 PolarHBondContact O-N 3.19Å; V3985-L3988 HydrophobicContact CG1-CD1 3.82Å; V3985-L3988 HydrophobicContact CG1-CG 4.2Å; V3985-Y4059 HydrophobicContact CG1-CD1 4.48Å; V3985-Y4059 HydrophobicContact CG1-CE1 3.94Å; V3985-Y4059 VanDerWaalsContact CG1-CE1 3.5Å; V3985-Y4059 HydrophobicContact CG2-CE1 4Å | ||
| 3986 | R | 33 | Very low | 37.1 | Very low | 201.5 Ų | 201.5 | 96.8 Ų | 96.8 | 76% | 0.76 | 51% | 0.512 | S | S | * | . | trans | -51.4 | 136.5 | 158.2 | -70 | -174.4 | -173.4 | 178.9 | 3.3 | 111.6 | D3984 L3988 | D3984-R3986 PolarHBondContact O-N 3.24Å; R3986-L3988 PolarHBondContact O-N 3.24Å | ||
| 3987 | P | 38.8 | Very low | 37.7 | Very low | 99.25 Ų | 99.25 | 99.4 Ų | 99.4 | 64% | 0.644 | 52% | 0.516 | S | S | * | . | trans | -85.6 | 135.4 | -173.1 | 23.9 | -23.6 | 0 | 0 | 0 | 113.6 | S3989 Y3990 | P3987-S3989 VanDerWaalsContact C-N 3.34Å; P3987-S3989 WeakPolarHBondContact CG-OG 2.98Å; P3987-S3989 PolarHBondContact O-N 3.13Å; P3987-Y3990 WeakPolarHBondContact O-CB 3.22Å; P3987-Y3990 PolarHBondContact O-N 3.09Å | ||
| 3988 | L | 38.3 | Very low | 38.1 | Very low | 101 Ų | 101 | 98.3 Ų | 98.3 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | trans | -38 | -6.2 | 169.7 | -84.4 | 121.3 | 0 | 0 | 0 | 117.8 | V3985 R3986 Y3990 I3991 Y3992 F4063 | V3985-L3988 HydrophobicContact CG1-CD1 3.82Å; V3985-L3988 HydrophobicContact CG1-CG 4.2Å; R3986-L3988 PolarHBondContact O-N 3.24Å; L3988-Y3990 VanDerWaalsContact C-N 3.31Å; L3988-Y3990 PolarHBondContact O-N 3.41Å; L3988-Y3990 VanDerWaalsContact O-N 3.13Å; L3988-I3991 HydrophobicContact CD2-CD1 3.83Å; L3988-I3991 PolarHBondContact O-N 3.17Å; L3988-Y3992 PolarHBondContact O-N 3.34Å; L3988-F4063 HydrophobicContact CD2-CE1 3.75Å; L3988-F4063 HydrophobicContact CD2-CE2 4.4Å; L3988-F4063 HydrophobicContact CD2-CZ 3.82Å; L3988-F4063 VanDerWaalsContact CD2-CZ 3.41Å | ||
| 3989 | S | 37.3 | Very low | 38.8 | Very low | 86 Ų | 86 | 99.1 Ų | 99.1 | 60% | 0.601 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.9 | -23.4 | 180 | 54.4 | 0 | 0 | 0 | 0 | 114.4 | P3987 Y3992 V3993 | P3987-S3989 VanDerWaalsContact C-N 3.34Å; P3987-S3989 WeakPolarHBondContact CG-OG 2.98Å; P3987-S3989 PolarHBondContact O-N 3.13Å; S3989-Y3992 WeakPolarHBondContact O-CB 3.39Å; S3989-Y3992 PolarHBondContact O-N 3.22Å; S3989-V3993 WeakPolarHBondContact O-CB 3.38Å; S3989-V3993 VanDerWaalsContact O-CG2 3.28Å; S3989-V3993 WeakPolarHBondContact O-CG2 3.11Å; S3989-V3993 PolarHBondContact O-N 3.08Å |
| 3990 | Y | 38.8 | Very low | 39.5 | Very low | 148 Ų | 148 | 102.6 Ų | 102.6 | 58% | 0.58 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -83.7 | -26.5 | -178.2 | -131.4 | -94.3 | 0 | 0 | 0 | 114.1 | N3850 V3983 P3987 L3988 Y3992 V3993 Q3994 | N3850-Y3990 HydrophobicContact CB-CE1 4.37Å; N3850-Y3990 WeakPolarHBondContact ND2-CE1 3.3Å; V3983-Y3990 HydrophobicContact CG2-CE2 4.27Å; P3987-Y3990 WeakPolarHBondContact O-CB 3.22Å; P3987-Y3990 PolarHBondContact O-N 3.09Å; L3988-Y3990 VanDerWaalsContact C-N 3.31Å; L3988-Y3990 PolarHBondContact O-N 3.41Å; L3988-Y3990 VanDerWaalsContact O-N 3.13Å; Y3990-Y3992 PolarHBondContact O-N 3.07Å; Y3990-V3993 PolarHBondContact O-N 2.88Å; Y3990-Q3994 HydrophobicContact CD1-CG 4.1Å; Y3990-Q3994 VanDerWaalsContact CD1-OE1 3.27Å; Y3990-Q3994 VanDerWaalsContact CE1-CD 3.42Å; Y3990-Q3994 HydrophobicContact CE1-CG 3.97Å; Y3990-Q3994 WeakPolarHBondContact O-CB 3.17Å; Y3990-Q3994 VanDerWaalsContact O-CG 3.28Å; Y3990-Q3994 WeakPolarHBondContact O-CG 3.07Å; Y3990-Q3994 PolarHBondContact O-N 3.22Å |
| 3991 | I | 40.4 | Very low | 39.9 | Very low | 57.5 Ų | 57.5 | 101.1 Ų | 101.1 | 30% | 0.295 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -73.5 | -32.5 | -179.5 | -62.5 | 174.1 | 0 | 0 | 0 | 111.2 | M3935 L3988 V3993 Q3994 N3995 F4024 N4027 | M3935-I3991 HydrophobicContact CE-CD1 4.36Å; L3988-I3991 HydrophobicContact CD2-CD1 3.83Å; L3988-I3991 PolarHBondContact O-N 3.17Å; I3991-V3993 PolarHBondContact O-N 2.93Å; I3991-Q3994 PolarHBondContact O-N 3.43Å; I3991-N3995 WeakPolarHBondContact CG2-ND2 3.48Å; I3991-N3995 VanDerWaalsContact O-CB 3.27Å; I3991-N3995 WeakPolarHBondContact O-CB 3.27Å; I3991-N3995 PolarHBondContact O-N 3.11Å; I3991-N3995 PolarHBondContact O-ND2 3.04Å; I3991-F4024 HydrophobicContact CG2-CE2 3.96Å; I3991-F4024 HydrophobicContact CG2-CZ 4.31Å; I3991-N4027 HydrophobicContact CD1-CB 4.46Å |
| 3992 | Y | 39.6 | Very low | 40.5 | Very low | 147.75 Ų | 147.75 | 98.3 Ų | 98.3 | 58% | 0.579 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.8 | -34.5 | -179.3 | -124.1 | -84.8 | 0 | 0 | 0 | 113.3 | L3988 S3989 Y3990 Q3994 N3995 E3996 | L3988-Y3992 PolarHBondContact O-N 3.34Å; S3989-Y3992 WeakPolarHBondContact O-CB 3.39Å; S3989-Y3992 PolarHBondContact O-N 3.22Å; Y3990-Y3992 PolarHBondContact O-N 3.07Å; Y3992-Q3994 VanDerWaalsContact C-N 3.32Å; Y3992-Q3994 PolarHBondContact O-N 2.87Å; Y3992-N3995 PolarHBondContact O-N 3.13Å; Y3992-E3996 HydrophobicContact CD1-CG 4.44Å; Y3992-E3996 WeakPolarHBondContact O-CB 3.33Å; Y3992-E3996 PolarHBondContact O-N 3.04Å |
| 3993 | V | 44.5 | Very low | 41.2 | Very low | 112.75 Ų | 112.75 | 100.2 Ų | 100.2 | 68% | 0.683 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -73.7 | -31.6 | -177.2 | 177.3 | 0 | 0 | 0 | 0 | 112 | S3989 Y3990 I3991 R3997 | S3989-V3993 WeakPolarHBondContact O-CB 3.38Å; S3989-V3993 VanDerWaalsContact O-CG2 3.28Å; S3989-V3993 WeakPolarHBondContact O-CG2 3.11Å; S3989-V3993 PolarHBondContact O-N 3.08Å; Y3990-V3993 PolarHBondContact O-N 2.88Å; I3991-V3993 PolarHBondContact O-N 2.93Å; V3993-R3997 WeakPolarHBondContact O-CB 3.32Å; V3993-R3997 PolarHBondContact O-N 3.13Å; V3993-R3997 VanDerWaalsContact O-N 3.09Å |
| 3994 | Q | 42.6 | Very low | 42.1 | Very low | 93 Ų | 93 | 99.7 Ų | 99.7 | 44% | 0.435 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -89.2 | -21.8 | -178.3 | -72.2 | -173.4 | -31.6 | 0 | 0 | 114.1 | Y3990 I3991 Y3992 E3996 R3997 L3998 D4020 F4024 | Y3990-Q3994 HydrophobicContact CD1-CG 4.1Å; Y3990-Q3994 VanDerWaalsContact CD1-OE1 3.27Å; Y3990-Q3994 VanDerWaalsContact CE1-CD 3.42Å; Y3990-Q3994 HydrophobicContact CE1-CG 3.97Å; Y3990-Q3994 WeakPolarHBondContact O-CB 3.17Å; Y3990-Q3994 VanDerWaalsContact O-CG 3.28Å; Y3990-Q3994 WeakPolarHBondContact O-CG 3.07Å; Y3990-Q3994 PolarHBondContact O-N 3.22Å; I3991-Q3994 PolarHBondContact O-N 3.43Å; Y3992-Q3994 VanDerWaalsContact C-N 3.32Å; Y3992-Q3994 PolarHBondContact O-N 2.87Å; Q3994-E3996 PolarHBondContact O-N 3.12Å; Q3994-R3997 PolarHBondContact O-N 3.33Å; Q3994-L3998 WeakPolarHBondContact O-CB 3.22Å; Q3994-L3998 PolarHBondContact O-N 3.38Å; Q3994-D4020 PolarHBondContact NE2-OD1 3.09Å; Q3994-D4020 VanDerWaalsContact NE2-OD1 3.16Å; Q3994-F4024 HydrophobicContact CB-CD2 3.84Å; Q3994-F4024 HydrophobicContact CB-CE2 4Å |
| 3995 | N | 45.1 | Very low | 43 | Very low | 43.25 Ų | 43.25 | 98.6 Ų | 98.6 | 23% | 0.231 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -92.7 | 13.9 | -177.7 | -124.8 | -23.2 | 0 | 0 | 0 | 113 | I3991 Y3992 R3997 L3998 K3999 F4024 | I3991-N3995 WeakPolarHBondContact CG2-ND2 3.48Å; I3991-N3995 VanDerWaalsContact O-CB 3.27Å; I3991-N3995 WeakPolarHBondContact O-CB 3.27Å; I3991-N3995 PolarHBondContact O-N 3.11Å; I3991-N3995 PolarHBondContact O-ND2 3.04Å; Y3992-N3995 PolarHBondContact O-N 3.13Å; N3995-R3997 PolarHBondContact O-N 3.45Å; N3995-R3997 VanDerWaalsContact O-N 3.12Å; N3995-R3997 WeakPolarHBondContact OD1-CB 3.38Å; N3995-L3998 HydrophobicContact CB-CB 4.19Å; N3995-L3998 HydrophobicContact CB-CD1 4.17Å; N3995-L3998 PolarHBondContact O-N 3.09Å; N3995-L3998 VanDerWaalsContact O-N 3.11Å; N3995-L3998 PolarHBondContact OD1-N 3.04Å; N3995-K3999 WeakPolarHBondContact O-CB 3.38Å; N3995-K3999 VanDerWaalsContact O-CG 3.28Å; N3995-K3999 WeakPolarHBondContact O-CG 3.41Å; N3995-K3999 PolarHBondContact O-N 3.11Å; N3995-K3999 WeakPolarHBondContact OD1-CE 3.24Å; N3995-F4024 HydrophobicContact CB-CE2 3.84Å; N3995-F4024 HydrophobicContact CB-CZ 3.58Å |
| 3996 | E | 49.3 | Very low | 43.5 | Very low | 101 Ų | 101 | 97.2 Ų | 97.2 | 47% | 0.472 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -56.9 | -34 | 169.2 | -88.5 | -69.4 | 135.3 | 0 | 0 | 112 | Y3992 Q3994 K3999 Q4000 | Y3992-E3996 HydrophobicContact CD1-CG 4.44Å; Y3992-E3996 WeakPolarHBondContact O-CB 3.33Å; Y3992-E3996 PolarHBondContact O-N 3.04Å; Q3994-E3996 PolarHBondContact O-N 3.12Å; E3996-K3999 VanDerWaalsContact O-CB 3.24Å; E3996-K3999 WeakPolarHBondContact O-CB 3.26Å; E3996-K3999 PolarHBondContact O-N 3.12Å; E3996-K3999 IonicContact OE1-NZ 2.81Å; E3996-K3999 PolarHBondContact OE1-NZ 3.19Å; E3996-Q4000 WeakPolarHBondContact O-CB 3.29Å; E3996-Q4000 VanDerWaalsContact O-CG 3.27Å; E3996-Q4000 WeakPolarHBondContact O-CG 3.33Å; E3996-Q4000 PolarHBondContact O-N 3.27Å; E3996-Q4000 PolarHBondContact OE2-NE2 3.44Å |
| 3997 | R | 48.2 | Very low | 44.1 | Very low | 136.5 Ų | 136.5 | 93.3 Ų | 93.3 | 52% | 0.515 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.3 | -38.1 | 178.6 | -129.7 | 175.9 | 178.7 | 174.1 | -3.5 | 113 | V3993 Q3994 N3995 K3999 Q4000 L4001 D4020 | V3993-R3997 WeakPolarHBondContact O-CB 3.32Å; V3993-R3997 PolarHBondContact O-N 3.13Å; V3993-R3997 VanDerWaalsContact O-N 3.09Å; Q3994-R3997 PolarHBondContact O-N 3.33Å; N3995-R3997 PolarHBondContact O-N 3.45Å; N3995-R3997 VanDerWaalsContact O-N 3.12Å; N3995-R3997 WeakPolarHBondContact OD1-CB 3.38Å; R3997-K3999 VanDerWaalsContact C-N 3.28Å; R3997-K3999 PolarHBondContact O-N 3.04Å; R3997-Q4000 CarbonylContact O-C 3.56Å; R3997-Q4000 PolarHBondContact O-N 3.17Å; R3997-Q4000 VanDerWaalsContact O-N 3.16Å; R3997-L4001 HydrophobicContact CG-CD1 4.18Å; R3997-L4001 WeakPolarHBondContact O-CB 3.05Å; R3997-L4001 WeakPolarHBondContact O-CD1 3.2Å; R3997-L4001 VanDerWaalsContact O-CG 3.28Å; R3997-L4001 WeakPolarHBondContact O-CG 3.42Å; R3997-L4001 PolarHBondContact O-N 3.04Å; R3997-L4001 VanDerWaalsContact O-N 3.08Å; R3997-D4020 PolarHBondContact NH2-O 3.26Å |
| 3998 | L | 47.7 | Very low | 44.6 | Very low | 43 Ų | 43 | 94.5 Ų | 94.5 | 23% | 0.225 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -63 | -39.6 | 171.3 | -102.1 | 158.5 | 0 | 0 | 0 | 111.3 | Q3994 N3995 Q4000 L4001 L4002 L4017 F4024 | Q3994-L3998 WeakPolarHBondContact O-CB 3.22Å; Q3994-L3998 PolarHBondContact O-N 3.38Å; N3995-L3998 HydrophobicContact CB-CB 4.19Å; N3995-L3998 HydrophobicContact CB-CD1 4.17Å; N3995-L3998 PolarHBondContact O-N 3.09Å; N3995-L3998 VanDerWaalsContact O-N 3.11Å; N3995-L3998 PolarHBondContact OD1-N 3.04Å; L3998-Q4000 PolarHBondContact O-N 3.5Å; L3998-L4001 PolarHBondContact O-N 3.06Å; L3998-L4002 WeakPolarHBondContact O-CB 3.33Å; L3998-L4002 VanDerWaalsContact O-CG 3.32Å; L3998-L4002 WeakPolarHBondContact O-CG 3.36Å; L3998-L4002 PolarHBondContact O-N 3.01Å; L3998-L4002 VanDerWaalsContact O-N 3.14Å; L3998-L4017 HydrophobicContact CD2-CD2 4Å; L3998-F4024 HydrophobicContact CD1-CB 4.03Å; L3998-F4024 HydrophobicContact CD1-CD1 3.92Å; L3998-F4024 HydrophobicContact CD1-CD2 4Å; L3998-F4024 HydrophobicContact CD1-CE1 4.41Å; L3998-F4024 HydrophobicContact CD1-CE2 4.5Å; L3998-F4024 HydrophobicContact CD1-CG 3.7Å |
| 3999 | K | 50.2 | Low | 45 | Very low | 82.75 Ų | 82.75 | 90.9 Ų | 90.9 | 36% | 0.36 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 172.8 | -87 | 179.5 | -175.8 | 171.3 | 0 | 112.3 | N3995 E3996 R3997 L4001 L4002 V4003 | N3995-K3999 WeakPolarHBondContact O-CB 3.38Å; N3995-K3999 VanDerWaalsContact O-CG 3.28Å; N3995-K3999 WeakPolarHBondContact O-CG 3.41Å; N3995-K3999 PolarHBondContact O-N 3.11Å; N3995-K3999 WeakPolarHBondContact OD1-CE 3.24Å; E3996-K3999 VanDerWaalsContact O-CB 3.24Å; E3996-K3999 WeakPolarHBondContact O-CB 3.26Å; E3996-K3999 PolarHBondContact O-N 3.12Å; E3996-K3999 IonicContact OE1-NZ 2.81Å; E3996-K3999 PolarHBondContact OE1-NZ 3.19Å; R3997-K3999 VanDerWaalsContact C-N 3.28Å; R3997-K3999 PolarHBondContact O-N 3.04Å; K3999-L4001 VanDerWaalsContact C-N 3.3Å; K3999-L4001 PolarHBondContact O-N 3.43Å; K3999-L4002 PolarHBondContact O-N 3.26Å; K3999-V4003 WeakPolarHBondContact O-CG2 3.28Å; K3999-V4003 PolarHBondContact O-N 3.27Å; K3999-V4003 VanDerWaalsContact O-N 3.14Å |
| 4000 | Q | 51 | Low | 45.5 | Very low | 116.5 Ų | 116.5 | 89 Ų | 89 | 54% | 0.544 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.8 | -39.2 | 178.8 | -71.6 | 175.4 | 7.7 | 0 | 0 | 111.9 | E3996 R3997 L3998 L4002 V4003 V4004 | E3996-Q4000 WeakPolarHBondContact O-CB 3.29Å; E3996-Q4000 VanDerWaalsContact O-CG 3.27Å; E3996-Q4000 WeakPolarHBondContact O-CG 3.33Å; E3996-Q4000 PolarHBondContact O-N 3.27Å; E3996-Q4000 PolarHBondContact OE2-NE2 3.44Å; R3997-Q4000 CarbonylContact O-C 3.56Å; R3997-Q4000 PolarHBondContact O-N 3.17Å; R3997-Q4000 VanDerWaalsContact O-N 3.16Å; L3998-Q4000 PolarHBondContact O-N 3.5Å; Q4000-L4002 PolarHBondContact O-N 3.28Å; Q4000-V4003 PolarHBondContact O-N 3.12Å; Q4000-V4003 VanDerWaalsContact O-N 3.13Å; Q4000-V4004 WeakPolarHBondContact O-CG2 3.37Å; Q4000-V4004 PolarHBondContact O-N 3.13Å; Q4000-V4004 VanDerWaalsContact O-N 3.12Å |
| 4001 | L | 40.9 | Very low | 45.8 | Very low | 54.6667 Ų | 54.6667 | 85.2 Ų | 85.2 | 29% | 0.286 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69.9 | -30.4 | 176.2 | -77.4 | 163.2 | 0 | 0 | 0 | 113.3 | R3997 L3998 K3999 V4003 V4004 L4006 L4009 L4017 | R3997-L4001 HydrophobicContact CG-CD1 4.18Å; R3997-L4001 WeakPolarHBondContact O-CB 3.05Å; R3997-L4001 WeakPolarHBondContact O-CD1 3.2Å; R3997-L4001 VanDerWaalsContact O-CG 3.28Å; R3997-L4001 WeakPolarHBondContact O-CG 3.42Å; R3997-L4001 PolarHBondContact O-N 3.04Å; R3997-L4001 VanDerWaalsContact O-N 3.08Å; L3998-L4001 PolarHBondContact O-N 3.06Å; K3999-L4001 VanDerWaalsContact C-N 3.3Å; K3999-L4001 PolarHBondContact O-N 3.43Å; L4001-V4003 VanDerWaalsContact C-N 3.3Å; L4001-V4003 PolarHBondContact O-N 3.01Å; L4001-V4004 PolarHBondContact O-N 3.18Å; L4001-V4004 VanDerWaalsContact O-N 3.1Å; L4001-L4006 HydrophobicContact CD2-CD2 4.4Å; L4001-L4009 HydrophobicContact CD2-CD2 3.91Å; L4001-L4017 HydrophobicContact CB-CD1 4.44Å; L4001-L4017 HydrophobicContact CB-CD2 4.02Å; L4001-L4017 HydrophobicContact CD1-CD1 4.38Å; L4001-L4017 HydrophobicContact CD1-CD2 3.68Å; L4001-L4017 HydrophobicContact CD1-CG 4.03Å; L4001-L4017 HydrophobicContact CD2-CD1 4.31Å; L4001-L4017 HydrophobicContact CD2-CD2 4.17Å; L4001-L4017 HydrophobicContact CG-CD2 4.48Å |
| 4002 | L | 42 | Very low | 46.1 | Very low | 82.3333 Ų | 82.3333 | 85.9 Ų | 85.9 | 43% | 0.431 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -75.5 | -16.1 | 174.6 | -78.5 | 167.4 | 0 | 0 | 0 | 114 | L3998 K3999 Q4000 L4044 I4080 L4084 | L3998-L4002 WeakPolarHBondContact O-CB 3.33Å; L3998-L4002 VanDerWaalsContact O-CG 3.32Å; L3998-L4002 WeakPolarHBondContact O-CG 3.36Å; L3998-L4002 PolarHBondContact O-N 3.01Å; L3998-L4002 VanDerWaalsContact O-N 3.14Å; K3999-L4002 PolarHBondContact O-N 3.26Å; Q4000-L4002 PolarHBondContact O-N 3.28Å; L4002-L4044 HydrophobicContact CD1-CD1 4.15Å; L4002-L4044 HydrophobicContact CD2-CD1 3.96Å; L4002-I4080 HydrophobicContact CD1-CG2 3.77Å; L4002-I4080 HydrophobicContact CD2-CG2 3.5Å; L4002-I4080 VanDerWaalsContact CD2-CG2 3.5Å; L4002-I4080 HydrophobicContact CG-CG2 4.27Å; L4002-L4084 HydrophobicContact CD2-CB 3.97Å; L4002-L4084 HydrophobicContact CD2-CD1 3.53Å; L4002-L4084 HydrophobicContact CD2-CG 4.07Å; L4002-L4084 HydrophobicContact CG-CD1 4.11Å |
| 4003 | V | 47.3 | Very low | 46.6 | Very low | 123.667 Ų | 123.667 | 83.1 Ų | 83.1 | 75% | 0.749 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -86.9 | -22.6 | 177 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | K3999 Q4000 L4001 N4005 | K3999-V4003 WeakPolarHBondContact O-CG2 3.28Å; K3999-V4003 PolarHBondContact O-N 3.27Å; K3999-V4003 VanDerWaalsContact O-N 3.14Å; Q4000-V4003 PolarHBondContact O-N 3.12Å; Q4000-V4003 VanDerWaalsContact O-N 3.13Å; L4001-V4003 VanDerWaalsContact C-N 3.3Å; L4001-V4003 PolarHBondContact O-N 3.01Å; V4003-N4005 PolarHBondContact O-N 3.38Å |
| 4004 | V | 48.8 | Very low | 46.7 | Very low | 61 Ų | 61 | 78.9 Ų | 78.9 | 37% | 0.37 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -87.7 | 128.7 | 178.8 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | Q4000 L4001 L4006 D4008 L4009 | Q4000-V4004 WeakPolarHBondContact O-CG2 3.37Å; Q4000-V4004 PolarHBondContact O-N 3.13Å; Q4000-V4004 VanDerWaalsContact O-N 3.12Å; L4001-V4004 PolarHBondContact O-N 3.18Å; L4001-V4004 VanDerWaalsContact O-N 3.1Å; V4004-L4006 PolarHBondContact O-N 3.13Å; V4004-D4008 HydrophobicContact CG1-CB 4.33Å; V4004-L4009 HydrophobicContact CB-CD1 4.37Å; V4004-L4009 HydrophobicContact CG1-CD1 3.91Å; V4004-L4009 HydrophobicContact CG1-CD2 4.33Å; V4004-L4009 HydrophobicContact CG1-CG 4.17Å |
| 4005 | N | 47.4 | Very low | 46.9 | Very low | 101 Ų | 101 | 78 Ų | 78 | 54% | 0.54 | 41% | 0.412 | S | S | . | . | trans | -65.1 | 117.7 | 177.6 | -140.3 | -10.1 | 0 | 0 | 0 | 108.8 | V4003 N4007 D4008 K4090 | V4003-N4005 PolarHBondContact O-N 3.38Å; N4005-N4007 PolarHBondContact O-N 3.06Å; N4005-D4008 VanDerWaalsContact CB-OD2 3.29Å; N4005-D4008 WeakPolarHBondContact CB-OD2 3.34Å; N4005-D4008 WeakPolarHBondContact O-CB 3.43Å; N4005-D4008 PolarHBondContact O-N 3.04Å; N4005-K4090 PolarHBondContact OD1-NZ 3.07Å | ||
| 4006 | L | 42.4 | Very low | 47 | Very low | 49.6667 Ų | 49.6667 | 80.7 Ų | 80.7 | 26% | 0.26 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -57.1 | -19.7 | -172.4 | -71.9 | 167.2 | 0 | 0 | 0 | 114.2 | L4001 V4004 D4008 L4009 L4014 L4048 K4055 N4087 I4091 | L4001-L4006 HydrophobicContact CD2-CD2 4.4Å; V4004-L4006 PolarHBondContact O-N 3.13Å; L4006-D4008 VanDerWaalsContact C-N 3.26Å; L4006-D4008 PolarHBondContact O-N 3.42Å; L4006-L4009 HydrophobicContact CD2-CD1 4.16Å; L4006-L4009 PolarHBondContact O-N 3.16Å; L4006-L4014 HydrophobicContact CB-CD1 4.46Å; L4006-L4014 HydrophobicContact CD2-CD1 3.96Å; L4006-L4014 HydrophobicContact CD2-CD2 4.36Å; L4006-L4014 HydrophobicContact CD2-CG 4.25Å; L4006-L4048 HydrophobicContact CD2-CD2 3.97Å; L4006-K4055 PolarHBondContact O-NZ 3.01Å; L4006-N4087 HydrophobicContact CD1-CB 3.39Å; L4006-N4087 WeakPolarHBondContact CD1-O 3.39Å; L4006-N4087 HydrophobicContact CG-CB 4.07Å; L4006-I4091 HydrophobicContact CD1-CD1 3.79Å; L4006-I4091 HydrophobicContact CD1-CG1 3.4Å |
| 4007 | N | 44.5 | Very low | 46.9 | Very low | 117.667 Ų | 117.667 | 78.2 Ų | 78.2 | 63% | 0.629 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -67.8 | -22.9 | 174.7 | -68.1 | -13 | 0 | 0 | 0 | 113.6 | N4005 L4009 K4055 | N4005-N4007 PolarHBondContact O-N 3.06Å; N4007-L4009 VanDerWaalsContact C-N 3.34Å; N4007-K4055 VanDerWaalsContact O-CE 3.29Å; N4007-K4055 WeakPolarHBondContact O-CE 3.08Å; N4007-K4055 PolarHBondContact O-NZ 2.96Å |
| 4008 | D | 50.1 | Low | 46.8 | Very low | 125 Ų | 125 | 73.8 Ų | 73.8 | 67% | 0.668 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -87.8 | -12.8 | -177.9 | -61.6 | -29.1 | 0 | 0 | 0 | 112.7 | V4004 N4005 L4006 | V4004-D4008 HydrophobicContact CG1-CB 4.33Å; N4005-D4008 VanDerWaalsContact CB-OD2 3.29Å; N4005-D4008 WeakPolarHBondContact CB-OD2 3.34Å; N4005-D4008 WeakPolarHBondContact O-CB 3.43Å; N4005-D4008 PolarHBondContact O-N 3.04Å; L4006-D4008 VanDerWaalsContact C-N 3.26Å; L4006-D4008 PolarHBondContact O-N 3.42Å |
| 4009 | L | 46.2 | Very low | 46.7 | Very low | 25.3333 Ų | 25.3333 | 75.1 Ų | 75.1 | 13% | 0.133 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -89.6 | 128.1 | -179 | -69.7 | 163.3 | 0 | 0 | 0 | 110.8 | L4001 V4004 L4006 N4007 E4013 L4014 L4017 K4055 | L4001-L4009 HydrophobicContact CD2-CD2 3.91Å; V4004-L4009 HydrophobicContact CB-CD1 4.37Å; V4004-L4009 HydrophobicContact CG1-CD1 3.91Å; V4004-L4009 HydrophobicContact CG1-CD2 4.33Å; V4004-L4009 HydrophobicContact CG1-CG 4.17Å; L4006-L4009 HydrophobicContact CD2-CD1 4.16Å; L4006-L4009 PolarHBondContact O-N 3.16Å; N4007-L4009 VanDerWaalsContact C-N 3.34Å; L4009-E4013 WeakPolarHBondContact CA-OE2 3.41Å; L4009-E4013 HydrophobicContact CB-CB 4.34Å; L4009-E4013 HydrophobicContact CD2-CB 3.9Å; L4009-L4014 HydrophobicContact CB-CD2 4.37Å; L4009-L4014 HydrophobicContact CB-CG 4.21Å; L4009-L4014 HydrophobicContact CD1-CD2 4.38Å; L4009-L4017 HydrophobicContact CD1-CD1 3.76Å; L4009-L4017 VanDerWaalsContact CD1-CD1 3.43Å; L4009-L4017 HydrophobicContact CD2-CD1 3.73Å; L4009-L4017 HydrophobicContact CG-CD1 4.18Å; L4009-K4055 PolarHBondContact O-NZ 3.13Å |
| 4010 | S | 48.7 | Very low | 46.5 | Very low | 47 Ų | 47 | 74.2 Ų | 74.2 | 33% | 0.329 | 41% | 0.405 | S | S | . | . | trans | -61.5 | 153.8 | 170 | 65 | 0 | 0 | 0 | 0 | 110.8 | S4012 E4013 L4014 | S4010-S4012 PolarHBondContact O-N 3.17Å; S4010-S4012 VanDerWaalsContact O-N 3.08Å; S4010-S4012 PolarHBondContact OG-OG 3.06Å; S4010-E4013 VanDerWaalsContact CB-OE2 3.26Å; S4010-E4013 WeakPolarHBondContact CB-OE2 3.41Å; S4010-E4013 PolarHBondContact N-OE2 3.12Å; S4010-E4013 WeakPolarHBondContact O-CA 3.45Å; S4010-E4013 PolarHBondContact O-N 3.32Å; S4010-E4013 VanDerWaalsContact O-N 3.1Å; S4010-E4013 WeakPolarHBondContact OG-CB 3.47Å; S4010-E4013 VanDerWaalsContact OG-CD 3.3Å; S4010-E4013 VanDerWaalsContact OG-CG 3.26Å; S4010-E4013 WeakPolarHBondContact OG-CG 3.3Å; S4010-E4013 PolarHBondContact OG-N 3.11Å; S4010-E4013 VanDerWaalsContact OG-N 3.1Å; S4010-E4013 PolarHBondContact OG-OE2 3.15Å; S4010-L4014 WeakPolarHBondContact O-CB 3.43Å; S4010-L4014 PolarHBondContact O-N 3.26Å | ||
| 4011 | S | 44.8 | Very low | 46.1 | Very low | 68.6667 Ų | 68.6667 | 70.1 Ų | 70.1 | 48% | 0.48 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -55.6 | -31.2 | 173.7 | 42.7 | 0 | 0 | 0 | 0 | 112.2 | L4014 I4015 | S4011-L4014 PolarHBondContact O-N 3.35Å; S4011-I4015 WeakPolarHBondContact O-CB 3.28Å; S4011-I4015 WeakPolarHBondContact O-CD1 3.22Å; S4011-I4015 VanDerWaalsContact O-CG1 3.31Å; S4011-I4015 WeakPolarHBondContact O-CG1 3.32Å; S4011-I4015 PolarHBondContact O-N 3.22Å |
| 4012 | S | 46.8 | Very low | 46.2 | Very low | 71.3333 Ų | 71.3333 | 72.6 Ų | 72.6 | 50% | 0.499 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.7 | -45 | 171.5 | 66.9 | 0 | 0 | 0 | 0 | 113.1 | S4010 L4014 I4015 Q4016 | S4010-S4012 PolarHBondContact O-N 3.17Å; S4010-S4012 VanDerWaalsContact O-N 3.08Å; S4010-S4012 PolarHBondContact OG-OG 3.06Å; S4012-L4014 VanDerWaalsContact C-N 3.31Å; S4012-L4014 PolarHBondContact O-N 3.33Å; S4012-I4015 PolarHBondContact O-N 3.26Å; S4012-Q4016 WeakPolarHBondContact O-CB 3.47Å; S4012-Q4016 WeakPolarHBondContact O-CG 2.99Å; S4012-Q4016 PolarHBondContact O-N 3.37Å |
| 4013 | E | 49.3 | Very low | 46.2 | Very low | 88.3333 Ų | 88.3333 | 74 Ų | 74 | 41% | 0.413 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -68.7 | -33.5 | 178.4 | -73.3 | 160.8 | 146.5 | 0 | 0 | 111.7 | L4009 S4010 Q4016 L4017 | L4009-E4013 WeakPolarHBondContact CA-OE2 3.41Å; L4009-E4013 HydrophobicContact CB-CB 4.34Å; L4009-E4013 HydrophobicContact CD2-CB 3.9Å; S4010-E4013 VanDerWaalsContact CB-OE2 3.26Å; S4010-E4013 WeakPolarHBondContact CB-OE2 3.41Å; S4010-E4013 PolarHBondContact N-OE2 3.12Å; S4010-E4013 WeakPolarHBondContact O-CA 3.45Å; S4010-E4013 PolarHBondContact O-N 3.32Å; S4010-E4013 VanDerWaalsContact O-N 3.1Å; S4010-E4013 WeakPolarHBondContact OG-CB 3.47Å; S4010-E4013 VanDerWaalsContact OG-CD 3.3Å; S4010-E4013 VanDerWaalsContact OG-CG 3.26Å; S4010-E4013 WeakPolarHBondContact OG-CG 3.3Å; S4010-E4013 PolarHBondContact OG-N 3.11Å; S4010-E4013 VanDerWaalsContact OG-N 3.1Å; S4010-E4013 PolarHBondContact OG-OE2 3.15Å; E4013-Q4016 PolarHBondContact O-N 3.27Å; E4013-L4017 VanDerWaalsContact O-CB 3.25Å; E4013-L4017 WeakPolarHBondContact O-CB 3.31Å; E4013-L4017 WeakPolarHBondContact O-CD1 3.29Å; E4013-L4017 VanDerWaalsContact O-CG 3.22Å; E4013-L4017 WeakPolarHBondContact O-CG 3.24Å; E4013-L4017 PolarHBondContact O-N 3.38Å |
| 4014 | L | 47.2 | Very low | 45.9 | Very low | 25.6667 Ų | 25.6667 | 69.6 Ų | 69.6 | 13% | 0.134 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.3 | -42.3 | 175.3 | -119.1 | 163.9 | 0 | 0 | 0 | 111.4 | L4006 L4009 S4010 S4011 S4012 Q4016 L4017 I4018 L4048 S4051 L4052 K4055 I4091 | L4006-L4014 HydrophobicContact CB-CD1 4.46Å; L4006-L4014 HydrophobicContact CD2-CD1 3.96Å; L4006-L4014 HydrophobicContact CD2-CD2 4.36Å; L4006-L4014 HydrophobicContact CD2-CG 4.25Å; L4009-L4014 HydrophobicContact CB-CD2 4.37Å; L4009-L4014 HydrophobicContact CB-CG 4.21Å; L4009-L4014 HydrophobicContact CD1-CD2 4.38Å; S4010-L4014 WeakPolarHBondContact O-CB 3.43Å; S4010-L4014 PolarHBondContact O-N 3.26Å; S4011-L4014 PolarHBondContact O-N 3.35Å; S4012-L4014 VanDerWaalsContact C-N 3.31Å; S4012-L4014 PolarHBondContact O-N 3.33Å; L4014-Q4016 VanDerWaalsContact C-N 3.35Å; L4014-L4017 HydrophobicContact CD2-CD1 4.48Å; L4014-L4017 PolarHBondContact O-N 2.98Å; L4014-I4018 HydrophobicContact CD2-CD1 3.85Å; L4014-I4018 HydrophobicContact CD2-CG1 4.44Å; L4014-I4018 WeakPolarHBondContact O-CD1 3.41Å; L4014-I4018 VanDerWaalsContact O-CG1 3.25Å; L4014-I4018 WeakPolarHBondContact O-CG1 3.29Å; L4014-I4018 PolarHBondContact O-N 3.27Å; L4014-I4018 VanDerWaalsContact O-N 3.11Å; L4014-L4048 HydrophobicContact CD2-CD2 3.67Å; L4014-S4051 WeakPolarHBondContact CD2-OG 3.22Å; L4014-L4052 HydrophobicContact CB-CB 4.35Å; L4014-L4052 HydrophobicContact CB-CD1 3.96Å; L4014-L4052 HydrophobicContact CB-CG 3.97Å; L4014-L4052 HydrophobicContact CD1-CB 4.38Å; L4014-K4055 HydrophobicContact CD1-CD 3.75Å; L4014-I4091 HydrophobicContact CD2-CD1 4.14Å; L4014-I4091 HydrophobicContact CD2-CG1 4.2Å; L4014-I4091 HydrophobicContact CD2-CG2 4.43Å |
| 4015 | I | 46.1 | Very low | 45.5 | Very low | 74.3333 Ų | 74.3333 | 70.6 Ų | 70.6 | 38% | 0.381 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 171.9 | -70.1 | 167.8 | 0 | 0 | 0 | 110.2 | S4011 S4012 L4017 I4018 I4019 L4052 | S4011-I4015 WeakPolarHBondContact O-CB 3.28Å; S4011-I4015 WeakPolarHBondContact O-CD1 3.22Å; S4011-I4015 VanDerWaalsContact O-CG1 3.31Å; S4011-I4015 WeakPolarHBondContact O-CG1 3.32Å; S4011-I4015 PolarHBondContact O-N 3.22Å; S4012-I4015 PolarHBondContact O-N 3.26Å; I4015-L4017 VanDerWaalsContact C-N 3.35Å; I4015-L4017 PolarHBondContact O-N 3Å; I4015-I4018 PolarHBondContact O-N 3.31Å; I4015-I4019 HydrophobicContact CG2-CD1 3.74Å; I4015-I4019 HydrophobicContact CG2-CG1 4.35Å; I4015-I4019 WeakPolarHBondContact O-CB 3.37Å; I4015-I4019 VanDerWaalsContact O-CG1 3.25Å; I4015-I4019 WeakPolarHBondContact O-CG1 3.39Å; I4015-I4019 PolarHBondContact O-N 3.15Å; I4015-I4019 VanDerWaalsContact O-N 3.12Å; I4015-L4052 HydrophobicContact CG1-CD1 3.82Å |
| 4016 | Q | 47.6 | Very low | 45.1 | Very low | 100 Ų | 100 | 70.9 Ų | 70.9 | 47% | 0.467 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 178.8 | -125 | 101.1 | -11 | 0 | 0 | 111.7 | S4012 E4013 L4014 I4018 I4019 D4020 | S4012-Q4016 WeakPolarHBondContact O-CB 3.47Å; S4012-Q4016 WeakPolarHBondContact O-CG 2.99Å; S4012-Q4016 PolarHBondContact O-N 3.37Å; E4013-Q4016 PolarHBondContact O-N 3.27Å; L4014-Q4016 VanDerWaalsContact C-N 3.35Å; Q4016-I4018 PolarHBondContact O-N 3.12Å; Q4016-I4019 CarbonylContact O-C 3.59Å; Q4016-I4019 PolarHBondContact O-N 3.28Å; Q4016-I4019 VanDerWaalsContact O-N 3.11Å; Q4016-D4020 WeakPolarHBondContact CG-OD2 3.44Å; Q4016-D4020 PolarHBondContact NE2-OD2 3.38Å; Q4016-D4020 WeakPolarHBondContact O-CA 3.45Å; Q4016-D4020 VanDerWaalsContact O-CB 3.28Å; Q4016-D4020 WeakPolarHBondContact O-CB 3.39Å; Q4016-D4020 PolarHBondContact O-N 3.34Å |
| 4017 | L | 48.5 | Very low | 45 | Very low | 48.3333 Ų | 48.3333 | 71.4 Ų | 71.4 | 25% | 0.253 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.6 | -34.5 | 175.5 | -86.5 | 160.6 | 0 | 0 | 0 | 112.7 | L3998 L4001 L4009 E4013 L4014 I4015 S4021 L4048 | L3998-L4017 HydrophobicContact CD2-CD2 4Å; L4001-L4017 HydrophobicContact CB-CD1 4.44Å; L4001-L4017 HydrophobicContact CB-CD2 4.02Å; L4001-L4017 HydrophobicContact CD1-CD1 4.38Å; L4001-L4017 HydrophobicContact CD1-CD2 3.68Å; L4001-L4017 HydrophobicContact CD1-CG 4.03Å; L4001-L4017 HydrophobicContact CD2-CD1 4.31Å; L4001-L4017 HydrophobicContact CD2-CD2 4.17Å; L4001-L4017 HydrophobicContact CG-CD2 4.48Å; L4009-L4017 HydrophobicContact CD1-CD1 3.76Å; L4009-L4017 VanDerWaalsContact CD1-CD1 3.43Å; L4009-L4017 HydrophobicContact CD2-CD1 3.73Å; L4009-L4017 HydrophobicContact CG-CD1 4.18Å; E4013-L4017 VanDerWaalsContact O-CB 3.25Å; E4013-L4017 WeakPolarHBondContact O-CB 3.31Å; E4013-L4017 WeakPolarHBondContact O-CD1 3.29Å; E4013-L4017 VanDerWaalsContact O-CG 3.22Å; E4013-L4017 WeakPolarHBondContact O-CG 3.24Å; E4013-L4017 PolarHBondContact O-N 3.38Å; L4014-L4017 HydrophobicContact CD2-CD1 4.48Å; L4014-L4017 PolarHBondContact O-N 2.98Å; I4015-L4017 VanDerWaalsContact C-N 3.35Å; I4015-L4017 PolarHBondContact O-N 3Å; L4017-S4021 VanDerWaalsContact O-CB 3.3Å; L4017-S4021 WeakPolarHBondContact O-CB 3.36Å; L4017-S4021 PolarHBondContact O-N 2.98Å; L4017-S4021 VanDerWaalsContact O-N 3.08Å; L4017-S4021 PolarHBondContact O-OG 3.34Å; L4017-L4048 HydrophobicContact CB-CD1 3.99Å; L4017-L4048 HydrophobicContact CB-CD2 4.22Å; L4017-L4048 HydrophobicContact CD1-CD2 4.12Å |
| 4018 | I | 45.8 | Very low | 44.7 | Very low | 44 Ų | 44 | 67 Ų | 67 | 23% | 0.226 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -72.4 | -39.6 | 174 | -67 | 167.3 | 0 | 0 | 0 | 110.8 | L4014 I4015 Q4016 S4021 D4022 L4048 L4052 | L4014-I4018 HydrophobicContact CD2-CD1 3.85Å; L4014-I4018 HydrophobicContact CD2-CG1 4.44Å; L4014-I4018 WeakPolarHBondContact O-CD1 3.41Å; L4014-I4018 VanDerWaalsContact O-CG1 3.25Å; L4014-I4018 WeakPolarHBondContact O-CG1 3.29Å; L4014-I4018 PolarHBondContact O-N 3.27Å; L4014-I4018 VanDerWaalsContact O-N 3.11Å; I4015-I4018 PolarHBondContact O-N 3.31Å; Q4016-I4018 PolarHBondContact O-N 3.12Å; I4018-S4021 WeakPolarHBondContact O-CB 3.47Å; I4018-S4021 PolarHBondContact O-N 2.92Å; I4018-S4021 PolarHBondContact O-OG 3.02Å; I4018-D4022 PolarHBondContact O-N 3.28Å; I4018-L4048 HydrophobicContact CD1-CB 4.44Å; I4018-L4048 HydrophobicContact CG1-CB 3.92Å; I4018-L4048 HydrophobicContact CG1-CD1 4.41Å; I4018-L4052 HydrophobicContact CD1-CD1 3.4Å |
| 4019 | I | 44.2 | Very low | 44 | Very low | 69 Ų | 69 | 65 Ų | 65 | 35% | 0.354 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -82.2 | -33.7 | -176.1 | -64.9 | 174.1 | 0 | 0 | 0 | 112.6 | I4015 Q4016 S4021 D4022 Q4023 F4024 H4025 | I4015-I4019 HydrophobicContact CG2-CD1 3.74Å; I4015-I4019 HydrophobicContact CG2-CG1 4.35Å; I4015-I4019 WeakPolarHBondContact O-CB 3.37Å; I4015-I4019 VanDerWaalsContact O-CG1 3.25Å; I4015-I4019 WeakPolarHBondContact O-CG1 3.39Å; I4015-I4019 PolarHBondContact O-N 3.15Å; I4015-I4019 VanDerWaalsContact O-N 3.12Å; Q4016-I4019 CarbonylContact O-C 3.59Å; Q4016-I4019 PolarHBondContact O-N 3.28Å; Q4016-I4019 VanDerWaalsContact O-N 3.11Å; I4019-S4021 VanDerWaalsContact C-N 3.34Å; I4019-S4021 PolarHBondContact O-N 3.12Å; I4019-D4022 PolarHBondContact O-N 2.9Å; I4019-Q4023 PolarHBondContact O-N 3.2Å; I4019-Q4023 VanDerWaalsContact O-N 3.16Å; I4019-F4024 HydrophobicContact CG2-CD1 3.35Å; I4019-F4024 HydrophobicContact CG2-CE1 3.48Å; I4019-F4024 VanDerWaalsContact CG2-CE1 3.48Å; I4019-F4024 HydrophobicContact CG2-CG 4.37Å; I4019-H4025 WeakPolarHBondContact O-CB 2.97Å |
| 4020 | D | 46 | Very low | 43.5 | Very low | 65 Ų | 65 | 71 Ų | 71 | 35% | 0.348 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -74.5 | 10.1 | -179 | -80.1 | -18.1 | 0 | 0 | 0 | 111.7 | Q3994 R3997 Q4016 D4022 Q4023 F4024 | Q3994-D4020 PolarHBondContact NE2-OD1 3.09Å; Q3994-D4020 VanDerWaalsContact NE2-OD1 3.16Å; R3997-D4020 PolarHBondContact NH2-O 3.26Å; Q4016-D4020 WeakPolarHBondContact CG-OD2 3.44Å; Q4016-D4020 PolarHBondContact NE2-OD2 3.38Å; Q4016-D4020 WeakPolarHBondContact O-CA 3.45Å; Q4016-D4020 VanDerWaalsContact O-CB 3.28Å; Q4016-D4020 WeakPolarHBondContact O-CB 3.39Å; Q4016-D4020 PolarHBondContact O-N 3.34Å; D4020-D4022 VanDerWaalsContact C-N 3.3Å; D4020-D4022 PolarHBondContact O-N 2.91Å; D4020-Q4023 PolarHBondContact O-N 3.37Å; D4020-F4024 WeakPolarHBondContact O-CB 3.11Å; D4020-F4024 PolarHBondContact O-N 3.04Å |
| 4021 | S | 44.4 | Very low | 43 | Very low | 29.6667 Ų | 29.6667 | 70.3 Ų | 70.3 | 21% | 0.207 | 36% | 0.361 | C | S | . | . | trans | -75.4 | 91.5 | 157.9 | 101 | 0 | 0 | 0 | 0 | 109.3 | L4017 I4018 I4019 Q4023 F4024 H4025 | L4017-S4021 VanDerWaalsContact O-CB 3.3Å; L4017-S4021 WeakPolarHBondContact O-CB 3.36Å; L4017-S4021 PolarHBondContact O-N 2.98Å; L4017-S4021 VanDerWaalsContact O-N 3.08Å; L4017-S4021 PolarHBondContact O-OG 3.34Å; I4018-S4021 WeakPolarHBondContact O-CB 3.47Å; I4018-S4021 PolarHBondContact O-N 2.92Å; I4018-S4021 PolarHBondContact O-OG 3.02Å; I4019-S4021 VanDerWaalsContact C-N 3.34Å; I4019-S4021 PolarHBondContact O-N 3.12Å; S4021-Q4023 PolarHBondContact O-N 3.39Å; S4021-Q4023 VanDerWaalsContact O-N 3.07Å; S4021-F4024 WeakPolarHBondContact O-CA 3.32Å; S4021-F4024 VanDerWaalsContact O-CB 3.31Å; S4021-F4024 WeakPolarHBondContact O-CB 3.24Å; S4021-F4024 PolarHBondContact O-N 3.15Å; S4021-F4024 VanDerWaalsContact OG-CB 3.27Å; S4021-F4024 WeakPolarHBondContact OG-CB 3.4Å; S4021-F4024 PolarHBondContact OG-N 3.44Å; S4021-H4025 WeakPolarHBondContact O-CB 3.43Å; S4021-H4025 PolarHBondContact O-N 3.3Å; S4021-H4025 VanDerWaalsContact O-N 3.07Å | ||
| 4022 | D | 42 | Very low | 42.6 | Very low | 108 Ų | 108 | 74.2 Ų | 74.2 | 58% | 0.578 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.1 | -32.5 | 175 | -78.3 | -38.2 | 0 | 0 | 0 | 111.3 | I4018 I4019 D4020 F4024 H4025 H4026 K4045 | I4018-D4022 PolarHBondContact O-N 3.28Å; I4019-D4022 PolarHBondContact O-N 2.9Å; D4020-D4022 VanDerWaalsContact C-N 3.3Å; D4020-D4022 PolarHBondContact O-N 2.91Å; D4022-F4024 VanDerWaalsContact C-N 3.31Å; D4022-F4024 PolarHBondContact O-N 3.2Å; D4022-H4025 PolarHBondContact O-N 3.28Å; D4022-H4026 WeakPolarHBondContact O-CA 3.45Å; D4022-H4026 VanDerWaalsContact O-CB 3.3Å; D4022-H4026 WeakPolarHBondContact O-CB 3.35Å; D4022-H4026 PolarHBondContact O-N 3.02Å; D4022-H4026 VanDerWaalsContact O-N 3.13Å; D4022-K4045 WeakPolarHBondContact OD1-CE 3.4Å; D4022-K4045 IonicContact OD1-NZ 3Å; D4022-K4045 PolarHBondContact OD1-NZ 2.92Å; D4022-K4045 WeakPolarHBondContact OD2-CE 3.49Å; D4022-K4045 IonicContact OD2-NZ 3.27Å; D4022-K4045 PolarHBondContact OD2-NZ 2.77Å |
| 4023 | Q | 42.9 | Very low | 42.1 | Very low | 110.333 Ų | 110.333 | 75 Ų | 75 | 52% | 0.516 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.1 | -37.8 | 171.6 | -76.8 | -176.7 | -3.9 | 0 | 0 | 113 | I4019 D4020 S4021 N4027 | I4019-Q4023 PolarHBondContact O-N 3.2Å; I4019-Q4023 VanDerWaalsContact O-N 3.16Å; D4020-Q4023 PolarHBondContact O-N 3.37Å; S4021-Q4023 PolarHBondContact O-N 3.39Å; S4021-Q4023 VanDerWaalsContact O-N 3.07Å; Q4023-N4027 VanDerWaalsContact O-CB 3.27Å; Q4023-N4027 WeakPolarHBondContact O-CB 3.4Å; Q4023-N4027 VanDerWaalsContact O-CG 3.28Å; Q4023-N4027 PolarHBondContact O-N 3.18Å; Q4023-N4027 VanDerWaalsContact O-N 3.16Å; Q4023-N4027 PolarHBondContact O-ND2 3.18Å; Q4023-N4027 VanDerWaalsContact O-ND2 3.08Å |
| 4024 | F | 40.6 | Very low | 41.5 | Very low | 32 Ų | 32 | 73.7 Ų | 73.7 | 14% | 0.14 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70 | -42.9 | 176.8 | -155.2 | -103.2 | 0 | 0 | 0 | 111.1 | L3930 I3934 I3991 Q3994 N3995 L3998 I4019 D4020 S4021 D4022 N4027 L4028 L4056 | L3930-F4024 HydrophobicContact CD2-CE2 3.65Å; L3930-F4024 HydrophobicContact CD2-CZ 4.24Å; I3934-F4024 HydrophobicContact CD1-CD2 4.4Å; I3934-F4024 HydrophobicContact CD1-CE2 3.8Å; I3934-F4024 HydrophobicContact CD1-CZ 4.31Å; I3934-F4024 HydrophobicContact CG1-CD2 4.1Å; I3934-F4024 HydrophobicContact CG1-CE2 4.21Å; I3934-F4024 HydrophobicContact CG2-CD2 3.54Å; I3934-F4024 HydrophobicContact CG2-CE2 3.62Å; I3991-F4024 HydrophobicContact CG2-CE2 3.96Å; I3991-F4024 HydrophobicContact CG2-CZ 4.31Å; Q3994-F4024 HydrophobicContact CB-CD2 3.84Å; Q3994-F4024 HydrophobicContact CB-CE2 4Å; N3995-F4024 HydrophobicContact CB-CE2 3.84Å; N3995-F4024 HydrophobicContact CB-CZ 3.58Å; L3998-F4024 HydrophobicContact CD1-CB 4.03Å; L3998-F4024 HydrophobicContact CD1-CD1 3.92Å; L3998-F4024 HydrophobicContact CD1-CD2 4Å; L3998-F4024 HydrophobicContact CD1-CE1 4.41Å; L3998-F4024 HydrophobicContact CD1-CE2 4.5Å; L3998-F4024 HydrophobicContact CD1-CG 3.7Å; I4019-F4024 HydrophobicContact CG2-CD1 3.35Å; I4019-F4024 HydrophobicContact CG2-CE1 3.48Å; I4019-F4024 VanDerWaalsContact CG2-CE1 3.48Å; I4019-F4024 HydrophobicContact CG2-CG 4.37Å; D4020-F4024 WeakPolarHBondContact O-CB 3.11Å; D4020-F4024 PolarHBondContact O-N 3.04Å; S4021-F4024 WeakPolarHBondContact O-CA 3.32Å; S4021-F4024 VanDerWaalsContact O-CB 3.31Å; S4021-F4024 WeakPolarHBondContact O-CB 3.24Å; S4021-F4024 PolarHBondContact O-N 3.15Å; S4021-F4024 VanDerWaalsContact OG-CB 3.27Å; S4021-F4024 WeakPolarHBondContact OG-CB 3.4Å; S4021-F4024 PolarHBondContact OG-N 3.44Å; D4022-F4024 VanDerWaalsContact C-N 3.31Å; D4022-F4024 PolarHBondContact O-N 3.2Å; F4024-N4027 PolarHBondContact O-N 3.13Å; F4024-L4028 HydrophobicContact CD1-CD1 3.44Å; F4024-L4028 VanDerWaalsContact CD1-CD1 3.45Å; F4024-L4028 HydrophobicContact CD1-CG 4.3Å; F4024-L4028 HydrophobicContact CE1-CD1 3.32Å; F4024-L4028 HydrophobicContact CE1-CG 4.21Å; F4024-L4028 HydrophobicContact CG-CD1 4.18Å; F4024-L4028 HydrophobicContact CZ-CD1 3.93Å; F4024-L4028 WeakPolarHBondContact O-CB 3.38Å; F4024-L4028 WeakPolarHBondContact O-CD1 3.42Å; F4024-L4028 VanDerWaalsContact O-CG 3.26Å; F4024-L4028 WeakPolarHBondContact O-CG 3.45Å; F4024-L4028 PolarHBondContact O-N 3.16Å; F4024-L4056 HydrophobicContact CE2-CD1 4.06Å; F4024-L4056 HydrophobicContact CZ-CD1 4.35Å |
| 4025 | H | 40.5 | Very low | 41 | Very low | 81.6667 Ų | 81.6667 | 78.9 Ų | 78.9 | 38% | 0.378 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 175 | -156.2 | 36.4 | 0 | 0 | 0 | 111.7 | I4019 S4021 D4022 L4028 I4029 I4041 | I4019-H4025 WeakPolarHBondContact O-CB 2.97Å; S4021-H4025 WeakPolarHBondContact O-CB 3.43Å; S4021-H4025 PolarHBondContact O-N 3.3Å; S4021-H4025 VanDerWaalsContact O-N 3.07Å; D4022-H4025 PolarHBondContact O-N 3.28Å; H4025-L4028 PolarHBondContact O-N 3.24Å; H4025-I4029 VanDerWaalsContact CD2-CD1 3.43Å; H4025-I4029 WeakPolarHBondContact CD2-CD1 3.5Å; H4025-I4029 WeakPolarHBondContact CE1-CD1 3.37Å; H4025-I4029 WeakPolarHBondContact ND1-CD1 3.35Å; H4025-I4029 WeakPolarHBondContact NE2-CD1 3.12Å; H4025-I4029 VanDerWaalsContact O-CB 3.24Å; H4025-I4029 WeakPolarHBondContact O-CB 3.21Å; H4025-I4029 WeakPolarHBondContact O-CD1 3.34Å; H4025-I4029 WeakPolarHBondContact O-CG1 3.45Å; H4025-I4029 PolarHBondContact O-N 3.07Å; H4025-I4041 HydrophobicContact CB-CG2 3.93Å |
| 4026 | H | 38.9 | Very low | 40.7 | Very low | 108 Ų | 108 | 81.8 Ų | 81.8 | 50% | 0.5 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.9 | -40.6 | 180 | -146.1 | -14 | 0 | 0 | 0 | 111.8 | D4022 L4028 Y4030 | D4022-H4026 WeakPolarHBondContact O-CA 3.45Å; D4022-H4026 VanDerWaalsContact O-CB 3.3Å; D4022-H4026 WeakPolarHBondContact O-CB 3.35Å; D4022-H4026 PolarHBondContact O-N 3.02Å; D4022-H4026 VanDerWaalsContact O-N 3.13Å; H4026-L4028 VanDerWaalsContact C-N 3.27Å; H4026-L4028 PolarHBondContact O-N 3.25Å; H4026-Y4030 AromaticContact CD2-CE2 3.93Å; H4026-Y4030 AromaticContact CE1-CD2 3.49Å; H4026-Y4030 VanDerWaalsContact CE1-CD2 3.49Å; H4026-Y4030 WeakPolarHBondContact CE1-CD2 3.03Å; H4026-Y4030 AromaticContact CE1-CE2 3.38Å; H4026-Y4030 WeakPolarHBondContact CE1-CE2 3.39Å; H4026-Y4030 AromaticContact CE1-CZ 3.52Å; H4026-Y4030 AromaticContact CG-CE2 3.98Å; H4026-Y4030 AromaticContact ND1-CD2 3.01Å; H4026-Y4030 WeakPolarHBondContact ND1-CD2 3.48Å; H4026-Y4030 AromaticContact ND1-CE2 3.47Å; H4026-Y4030 WeakPolarHBondContact ND1-CE2 3.4Å; H4026-Y4030 AromaticContact ND1-CG 3.86Å; H4026-Y4030 AromaticContact ND1-CZ 3.92Å; H4026-Y4030 AromaticContact NE2-CE2 3.66Å; H4026-Y4030 WeakPolarHBondContact O-CB 3.4Å; H4026-Y4030 WeakPolarHBondContact O-CD2 3.22Å; H4026-Y4030 PolarHBondContact O-N 3.11Å |
| 4027 | N | 39.5 | Very low | 40.2 | Very low | 59.6667 Ų | 59.6667 | 80 Ų | 80 | 32% | 0.319 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -70.7 | -31.3 | 176.1 | -71.3 | -23.4 | 0 | 0 | 0 | 112.7 | I3991 Q4023 F4024 S4031 | I3991-N4027 HydrophobicContact CD1-CB 4.46Å; Q4023-N4027 VanDerWaalsContact O-CB 3.27Å; Q4023-N4027 WeakPolarHBondContact O-CB 3.4Å; Q4023-N4027 VanDerWaalsContact O-CG 3.28Å; Q4023-N4027 PolarHBondContact O-N 3.18Å; Q4023-N4027 VanDerWaalsContact O-N 3.16Å; Q4023-N4027 PolarHBondContact O-ND2 3.18Å; Q4023-N4027 VanDerWaalsContact O-ND2 3.08Å; F4024-N4027 PolarHBondContact O-N 3.13Å; N4027-S4031 PolarHBondContact O-N 2.99Å |
| 4028 | L | 38 | Very low | 39.8 | Very low | 26.6667 Ų | 26.6667 | 79.2 Ų | 79.2 | 14% | 0.14 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -79.1 | -42.5 | 179.1 | -89.2 | 164 | 0 | 0 | 0 | 113.7 | F4024 H4025 H4026 Y4030 S4031 F4034 L4038 I4041 | F4024-L4028 HydrophobicContact CD1-CD1 3.44Å; F4024-L4028 VanDerWaalsContact CD1-CD1 3.45Å; F4024-L4028 HydrophobicContact CD1-CG 4.3Å; F4024-L4028 HydrophobicContact CE1-CD1 3.32Å; F4024-L4028 HydrophobicContact CE1-CG 4.21Å; F4024-L4028 HydrophobicContact CG-CD1 4.18Å; F4024-L4028 HydrophobicContact CZ-CD1 3.93Å; F4024-L4028 WeakPolarHBondContact O-CB 3.38Å; F4024-L4028 WeakPolarHBondContact O-CD1 3.42Å; F4024-L4028 VanDerWaalsContact O-CG 3.26Å; F4024-L4028 WeakPolarHBondContact O-CG 3.45Å; F4024-L4028 PolarHBondContact O-N 3.16Å; H4025-L4028 PolarHBondContact O-N 3.24Å; H4026-L4028 VanDerWaalsContact C-N 3.27Å; H4026-L4028 PolarHBondContact O-N 3.25Å; L4028-Y4030 VanDerWaalsContact C-N 3.3Å; L4028-Y4030 PolarHBondContact O-N 3.22Å; L4028-Y4030 VanDerWaalsContact O-N 3.1Å; L4028-S4031 CarbonylContact O-C 3.44Å; L4028-S4031 WeakPolarHBondContact O-CA 3.34Å; L4028-S4031 PolarHBondContact O-N 3.09Å; L4028-S4031 VanDerWaalsContact O-N 3.12Å; L4028-S4031 PolarHBondContact O-OG 3.25Å; L4028-S4031 VanDerWaalsContact O-OG 3.11Å; L4028-F4034 HydrophobicContact CD2-CB 4.09Å; L4028-F4034 HydrophobicContact CD2-CD1 4.21Å; L4028-F4034 HydrophobicContact CD2-CD2 3.67Å; L4028-F4034 VanDerWaalsContact CD2-CD2 3.4Å; L4028-F4034 HydrophobicContact CD2-CE1 4.28Å; L4028-F4034 HydrophobicContact CD2-CE2 3.51Å; L4028-F4034 VanDerWaalsContact CD2-CE2 3.5Å; L4028-F4034 HydrophobicContact CD2-CG 3.94Å; L4028-F4034 HydrophobicContact CD2-CZ 3.96Å; L4028-L4038 HydrophobicContact CB-CD2 4.06Å; L4028-I4041 HydrophobicContact CD1-CD1 3.55Å |
| 4029 | I | 36.8 | Very low | 39.5 | Very low | 81.6667 Ų | 81.6667 | 84.5 Ų | 84.5 | 42% | 0.419 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59 | -36.7 | -179.7 | -73.7 | 172.5 | 0 | 0 | 0 | 111.2 | H4025 S4031 L4038 | H4025-I4029 VanDerWaalsContact CD2-CD1 3.43Å; H4025-I4029 WeakPolarHBondContact CD2-CD1 3.5Å; H4025-I4029 WeakPolarHBondContact CE1-CD1 3.37Å; H4025-I4029 WeakPolarHBondContact ND1-CD1 3.35Å; H4025-I4029 WeakPolarHBondContact NE2-CD1 3.12Å; H4025-I4029 VanDerWaalsContact O-CB 3.24Å; H4025-I4029 WeakPolarHBondContact O-CB 3.21Å; H4025-I4029 WeakPolarHBondContact O-CD1 3.34Å; H4025-I4029 WeakPolarHBondContact O-CG1 3.45Å; H4025-I4029 PolarHBondContact O-N 3.07Å; I4029-S4031 VanDerWaalsContact C-N 3.28Å; I4029-S4031 PolarHBondContact O-N 3.14Å; I4029-L4038 HydrophobicContact CG1-CD2 4.43Å |
| 4030 | Y | 35.2 | Very low | 39.4 | Very low | 151.667 Ų | 151.667 | 87.9 Ų | 87.9 | 60% | 0.595 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -3.9 | 178.9 | -67.3 | -76.3 | 0 | 0 | 0 | 113.8 | T3980 D3984 H4026 L4028 K4032 | T3980-Y4030 HydrophobicContact CG2-CD1 3.91Å; T3980-Y4030 HydrophobicContact CG2-CE1 3.87Å; D3984-Y4030 WeakPolarHBondContact OD2-CD2 3.39Å; H4026-Y4030 AromaticContact CD2-CE2 3.93Å; H4026-Y4030 AromaticContact CE1-CD2 3.49Å; H4026-Y4030 VanDerWaalsContact CE1-CD2 3.49Å; H4026-Y4030 WeakPolarHBondContact CE1-CD2 3.03Å; H4026-Y4030 AromaticContact CE1-CE2 3.38Å; H4026-Y4030 WeakPolarHBondContact CE1-CE2 3.39Å; H4026-Y4030 AromaticContact CE1-CZ 3.52Å; H4026-Y4030 AromaticContact CG-CE2 3.98Å; H4026-Y4030 AromaticContact ND1-CD2 3.01Å; H4026-Y4030 WeakPolarHBondContact ND1-CD2 3.48Å; H4026-Y4030 AromaticContact ND1-CE2 3.47Å; H4026-Y4030 WeakPolarHBondContact ND1-CE2 3.4Å; H4026-Y4030 AromaticContact ND1-CG 3.86Å; H4026-Y4030 AromaticContact ND1-CZ 3.92Å; H4026-Y4030 AromaticContact NE2-CE2 3.66Å; H4026-Y4030 WeakPolarHBondContact O-CB 3.4Å; H4026-Y4030 WeakPolarHBondContact O-CD2 3.22Å; H4026-Y4030 PolarHBondContact O-N 3.11Å; L4028-Y4030 VanDerWaalsContact C-N 3.3Å; L4028-Y4030 PolarHBondContact O-N 3.22Å; L4028-Y4030 VanDerWaalsContact O-N 3.1Å; Y4030-K4032 PolarHBondContact O-N 3.16Å; Y4030-K4032 VanDerWaalsContact O-N 3.11Å |
| 4031 | S | 37.3 | Very low | 39.2 | Very low | 33 Ų | 33 | 86.1 Ų | 86.1 | 23% | 0.231 | 41% | 0.41 | C | S | . | . | trans | -91.2 | 95.4 | 169 | 79.1 | 0 | 0 | 0 | 0 | 110 | N4027 L4028 I4029 M4033 F4034 | N4027-S4031 PolarHBondContact O-N 2.99Å; L4028-S4031 CarbonylContact O-C 3.44Å; L4028-S4031 WeakPolarHBondContact O-CA 3.34Å; L4028-S4031 PolarHBondContact O-N 3.09Å; L4028-S4031 VanDerWaalsContact O-N 3.12Å; L4028-S4031 PolarHBondContact O-OG 3.25Å; L4028-S4031 VanDerWaalsContact O-OG 3.11Å; I4029-S4031 VanDerWaalsContact C-N 3.28Å; I4029-S4031 PolarHBondContact O-N 3.14Å; S4031-M4033 PolarHBondContact O-N 3.11Å; S4031-F4034 PolarHBondContact O-N 3.05Å; S4031-F4034 WeakPolarHBondContact OG-CB 3.04Å | ||
| 4032 | K | 36 | Very low | 39.1 | Very low | 150 Ų | 150 | 88.3 Ų | 88.3 | 65% | 0.652 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -21.2 | 177 | -127.9 | 179.3 | 179.1 | 179.5 | 0 | 114.1 | Y4030 F4034 H4035 E4036 | Y4030-K4032 PolarHBondContact O-N 3.16Å; Y4030-K4032 VanDerWaalsContact O-N 3.11Å; K4032-F4034 PolarHBondContact O-N 3.15Å; K4032-F4034 VanDerWaalsContact O-N 3.07Å; K4032-H4035 PolarHBondContact O-N 3.5Å; K4032-E4036 WeakPolarHBondContact CE-OE2 3.28Å; K4032-E4036 PolarHBondContact O-N 3.3Å |
| 4033 | M | 36.5 | Very low | 39.2 | Very low | 87.3333 Ų | 87.3333 | 88.5 Ų | 88.5 | 43% | 0.43 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.6 | -28.6 | 176.5 | -74 | -127.4 | 99.5 | 0 | 0 | 116.1 | I3849 Y3926 I3951 P3952 L3955 S4031 D4037 L4038 | I3849-M4033 HydrophobicContact CD1-CE 4.11Å; Y3926-M4033 HydrophobicContact CE2-SD 4.08Å; I3951-M4033 HydrophobicContact CB-CE 3.84Å; I3951-M4033 HydrophobicContact CG2-CE 3.36Å; P3952-M4033 HydrophobicContact CB-CE 3.15Å; P3952-M4033 HydrophobicContact CB-SD 3.61Å; P3952-M4033 HydrophobicContact CG-CE 3.51Å; P3952-M4033 HydrophobicContact CG-SD 3.66Å; P3952-M4033 WeakPolarHBondContact CG-SD 3.33Å; L3955-M4033 HydrophobicContact CD1-CE 3.9Å; S4031-M4033 PolarHBondContact O-N 3.11Å; M4033-D4037 WeakPolarHBondContact CG-OD2 3.29Å; M4033-D4037 WeakPolarHBondContact O-CB 3.48Å; M4033-D4037 PolarHBondContact O-N 2.89Å; M4033-D4037 VanDerWaalsContact O-N 3.1Å; M4033-L4038 PolarHBondContact O-N 2.98Å |
| 4034 | F | 36.2 | Very low | 39.3 | Very low | 62 Ų | 62 | 84.5 Ų | 84.5 | 27% | 0.272 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -98.6 | 0.9 | -172 | -112.6 | -84.1 | 0 | 0 | 0 | 113.2 | L4028 S4031 K4032 E4036 L4038 K4045 | L4028-F4034 HydrophobicContact CD2-CB 4.09Å; L4028-F4034 HydrophobicContact CD2-CD1 4.21Å; L4028-F4034 HydrophobicContact CD2-CD2 3.67Å; L4028-F4034 VanDerWaalsContact CD2-CD2 3.4Å; L4028-F4034 HydrophobicContact CD2-CE1 4.28Å; L4028-F4034 HydrophobicContact CD2-CE2 3.51Å; L4028-F4034 VanDerWaalsContact CD2-CE2 3.5Å; L4028-F4034 HydrophobicContact CD2-CG 3.94Å; L4028-F4034 HydrophobicContact CD2-CZ 3.96Å; S4031-F4034 PolarHBondContact O-N 3.05Å; S4031-F4034 WeakPolarHBondContact OG-CB 3.04Å; K4032-F4034 PolarHBondContact O-N 3.15Å; K4032-F4034 VanDerWaalsContact O-N 3.07Å; F4034-E4036 VanDerWaalsContact C-N 3.33Å; F4034-E4036 PolarHBondContact O-N 3.46Å; F4034-L4038 HydrophobicContact CD1-CD2 4.34Å; F4034-L4038 HydrophobicContact CD2-CD1 3.42Å; F4034-L4038 VanDerWaalsContact CD2-CD1 3.42Å; F4034-L4038 HydrophobicContact CE2-CD1 3.69Å; F4034-L4038 HydrophobicContact CG-CD1 4.07Å; F4034-L4038 WeakPolarHBondContact O-CD1 3.46Å; F4034-L4038 WeakPolarHBondContact O-CG 3.38Å; F4034-K4045 HydrophobicContact CE1-CD 4.33Å; F4034-K4045 VanDerWaalsContact CE1-CE 3.48Å; F4034-K4045 HydrophobicContact CE1-CG 4.18Å; F4034-K4045 HydrophobicContact CZ-CG 3.92Å |
| 4035 | H | 37 | Very low | 39.7 | Very low | 134.333 Ų | 134.333 | 86.7 Ų | 86.7 | 62% | 0.622 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -79.9 | -34.4 | -179.7 | -92.4 | -62.8 | 0 | 0 | 0 | 113.7 | K4032 E4039 | K4032-H4035 PolarHBondContact O-N 3.5Å; H4035-E4039 VanDerWaalsContact O-CB 3.28Å; H4035-E4039 WeakPolarHBondContact O-CB 3.39Å |
| 4036 | E | 39.7 | Very low | 40 | Very low | 134.667 Ų | 134.667 | 88.2 Ų | 88.2 | 63% | 0.629 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -90.5 | -32.6 | -171.3 | -66.8 | 177.2 | 171.5 | 0 | 0 | 113.7 | K4032 F4034 F4040 | K4032-E4036 WeakPolarHBondContact CE-OE2 3.28Å; K4032-E4036 PolarHBondContact O-N 3.3Å; F4034-E4036 VanDerWaalsContact C-N 3.33Å; F4034-E4036 PolarHBondContact O-N 3.46Å; E4036-F4040 WeakPolarHBondContact O-CD2 3.26Å; E4036-F4040 WeakPolarHBondContact O-CE2 3.43Å |
| 4037 | D | 38.7 | Very low | 40.5 | Very low | 63.6667 Ų | 63.6667 | 86.6 Ų | 86.6 | 34% | 0.34 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -89.9 | -12.1 | -174.8 | -70.4 | -38.8 | 0 | 0 | 0 | 113.9 | L3955 H3956 K3959 M4033 E4039 F4040 | L3955-D4037 HydrophobicContact CD1-CB 3.84Å; H3956-D4037 IonicContact CE1-OD1 2.7Å; H3956-D4037 IonicContact ND1-OD1 2.76Å; H3956-D4037 IonicContact ND1-OD2 2.73Å; H3956-D4037 PolarHBondContact ND1-OD2 3.01Å; K3959-D4037 IonicContact NZ-OD1 2.75Å; M4033-D4037 WeakPolarHBondContact CG-OD2 3.29Å; M4033-D4037 WeakPolarHBondContact O-CB 3.48Å; M4033-D4037 PolarHBondContact O-N 2.89Å; M4033-D4037 VanDerWaalsContact O-N 3.1Å; D4037-E4039 PolarHBondContact O-N 3.32Å; D4037-E4039 VanDerWaalsContact O-N 3.16Å; D4037-F4040 PolarHBondContact O-N 2.89Å |
| 4038 | L | 38.6 | Very low | 41 | Very low | 30.6667 Ų | 30.6667 | 84.3 Ų | 84.3 | 16% | 0.161 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -77.5 | -14.3 | -170.8 | -85.9 | 171.7 | 0 | 0 | 0 | 115.4 | L3955 L4028 I4029 M4033 F4034 F4040 I4041 P4042 L4044 K4045 L4048 | L3955-L4038 HydrophobicContact CD1-CD2 4.47Å; L3955-L4038 HydrophobicContact CD2-CD2 4.44Å; L4028-L4038 HydrophobicContact CB-CD2 4.06Å; I4029-L4038 HydrophobicContact CG1-CD2 4.43Å; M4033-L4038 PolarHBondContact O-N 2.98Å; F4034-L4038 HydrophobicContact CD1-CD2 4.34Å; F4034-L4038 HydrophobicContact CD2-CD1 3.42Å; F4034-L4038 VanDerWaalsContact CD2-CD1 3.42Å; F4034-L4038 HydrophobicContact CE2-CD1 3.69Å; F4034-L4038 HydrophobicContact CG-CD1 4.07Å; F4034-L4038 WeakPolarHBondContact O-CD1 3.46Å; F4034-L4038 WeakPolarHBondContact O-CG 3.38Å; L4038-F4040 VanDerWaalsContact C-N 3.26Å; L4038-F4040 PolarHBondContact O-N 3.16Å; L4038-I4041 HydrophobicContact CD2-CB 3.42Å; L4038-I4041 VanDerWaalsContact CD2-CB 3.42Å; L4038-I4041 HydrophobicContact CD2-CD1 3.94Å; L4038-I4041 HydrophobicContact CD2-CG1 3.92Å; L4038-I4041 HydrophobicContact CD2-CG2 3.35Å; L4038-I4041 CarbonylContact O-C 3.54Å; L4038-I4041 PolarHBondContact O-N 3.27Å; L4038-I4041 VanDerWaalsContact O-N 3.09Å; L4038-P4042 VanDerWaalsContact O-CD 3.31Å; L4038-P4042 WeakPolarHBondContact O-CD 3.26Å; L4038-L4044 HydrophobicContact CD2-CB 4.1Å; L4038-L4044 HydrophobicContact CD2-CD2 3.27Å; L4038-L4044 HydrophobicContact CD2-CG 4.31Å; L4038-K4045 HydrophobicContact CB-CB 4.31Å; L4038-L4048 HydrophobicContact CD1-CD1 4.23Å; L4038-L4048 HydrophobicContact CD2-CD1 4.46Å |
| 4039 | E | 40.4 | Very low | 41.5 | Very low | 155 Ų | 155 | 84.7 Ų | 84.7 | 72% | 0.724 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -26 | 179.5 | -131.8 | 176.4 | -172.9 | 0 | 0 | 112.7 | H4035 D4037 H4043 | H4035-E4039 VanDerWaalsContact O-CB 3.28Å; H4035-E4039 WeakPolarHBondContact O-CB 3.39Å; D4037-E4039 PolarHBondContact O-N 3.32Å; D4037-E4039 VanDerWaalsContact O-N 3.16Å; E4039-H4043 PolarHBondContact O-CD2 3.46Å; E4039-H4043 VanDerWaalsContact O-CD2 3.27Å |
| 4040 | F | 41.2 | Very low | 42 | Very low | 140 Ų | 140 | 83.5 Ų | 83.5 | 61% | 0.614 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -89.6 | -9.5 | 179.1 | -81.7 | -81.8 | 0 | 0 | 0 | 114.9 | E4036 D4037 L4038 H4043 L4044 | E4036-F4040 WeakPolarHBondContact O-CD2 3.26Å; E4036-F4040 WeakPolarHBondContact O-CE2 3.43Å; D4037-F4040 PolarHBondContact O-N 2.89Å; L4038-F4040 VanDerWaalsContact C-N 3.26Å; L4038-F4040 PolarHBondContact O-N 3.16Å; F4040-H4043 PolarHBondContact O-N 3.27Å; F4040-L4044 VanDerWaalsContact O-CB 3.27Å; F4040-L4044 WeakPolarHBondContact O-CB 3.38Å; F4040-L4044 PolarHBondContact O-N 3.38Å |
| 4041 | I | 43.3 | Very low | 42.7 | Very low | 27.3333 Ų | 27.3333 | 77.4 Ų | 77.4 | 14% | 0.14 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -93.8 | 6.7 | -176.3 | -59.6 | -179 | 0 | 0 | 0 | 113.6 | L3955 H4025 L4028 L4038 H4043 L4044 K4045 | L3955-I4041 HydrophobicContact CD2-CD1 4.26Å; H4025-I4041 HydrophobicContact CB-CG2 3.93Å; L4028-I4041 HydrophobicContact CD1-CD1 3.55Å; L4038-I4041 HydrophobicContact CD2-CB 3.42Å; L4038-I4041 VanDerWaalsContact CD2-CB 3.42Å; L4038-I4041 HydrophobicContact CD2-CD1 3.94Å; L4038-I4041 HydrophobicContact CD2-CG1 3.92Å; L4038-I4041 HydrophobicContact CD2-CG2 3.35Å; L4038-I4041 CarbonylContact O-C 3.54Å; L4038-I4041 PolarHBondContact O-N 3.27Å; L4038-I4041 VanDerWaalsContact O-N 3.09Å; I4041-H4043 VanDerWaalsContact C-N 3.34Å; I4041-H4043 PolarHBondContact O-N 2.98Å; I4041-H4043 VanDerWaalsContact O-N 3.09Å; I4041-L4044 HydrophobicContact CB-CB 4.2Å; I4041-L4044 HydrophobicContact CD1-CD1 4.48Å; I4041-L4044 HydrophobicContact CD1-CD2 4.46Å; I4041-L4044 HydrophobicContact CG1-CB 4.14Å; I4041-L4044 HydrophobicContact CG2-CB 3.92Å; I4041-L4044 HydrophobicContact CG2-CD1 4.11Å; I4041-L4044 WeakPolarHBondContact O-CB 3.41Å; I4041-L4044 PolarHBondContact O-N 3.2Å; I4041-K4045 HydrophobicContact CG2-CD 4.24Å; I4041-K4045 HydrophobicContact CG2-CG 3.84Å; I4041-K4045 WeakPolarHBondContact O-CB 3.47Å; I4041-K4045 PolarHBondContact O-N 3.05Å |
| 4042 | P | 41.4 | Very low | 43.3 | Very low | 76.3333 Ų | 76.3333 | 76.5 Ų | 76.5 | 50% | 0.496 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -54.6 | -38.3 | 176.9 | -25.5 | 34.1 | 0 | 0 | 0 | 113 | L4038 L4044 K4045 Y4046 | L4038-P4042 VanDerWaalsContact O-CD 3.31Å; L4038-P4042 WeakPolarHBondContact O-CD 3.26Å; P4042-L4044 VanDerWaalsContact C-N 3.33Å; P4042-L4044 PolarHBondContact O-N 3.18Å; P4042-K4045 PolarHBondContact O-N 3.07Å; P4042-Y4046 WeakPolarHBondContact O-CB 3.27Å; P4042-Y4046 PolarHBondContact O-N 3.18Å; P4042-Y4046 VanDerWaalsContact O-N 3.09Å |
| 4043 | H | 44.1 | Very low | 43.9 | Very low | 112.333 Ų | 112.333 | 71.9 Ų | 71.9 | 52% | 0.52 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 176.8 | -62.7 | -52.3 | 0 | 0 | 0 | 112.5 | H3972 E4039 F4040 I4041 K4045 Y4046 Y4047 | H3972-H4043 AromaticContact CE1-ND1 3.87Å; H3972-H4043 AromaticContact NE2-CE1 3.45Å; H3972-H4043 PolarHBondContact NE2-CE1 3.11Å; H3972-H4043 AromaticContact NE2-ND1 3.46Å; H3972-H4043 PolarHBondContact NE2-ND1 3.44Å; E4039-H4043 PolarHBondContact O-CD2 3.46Å; E4039-H4043 VanDerWaalsContact O-CD2 3.27Å; F4040-H4043 PolarHBondContact O-N 3.27Å; I4041-H4043 VanDerWaalsContact C-N 3.34Å; I4041-H4043 PolarHBondContact O-N 2.98Å; I4041-H4043 VanDerWaalsContact O-N 3.09Å; H4043-K4045 PolarHBondContact O-N 2.94Å; H4043-Y4046 WeakPolarHBondContact O-CB 3.39Å; H4043-Y4046 PolarHBondContact O-N 2.99Å; H4043-Y4047 VanDerWaalsContact C-CD2 3.44Å; H4043-Y4047 HydrophobicContact CB-CD2 4.28Å; H4043-Y4047 HydrophobicContact CB-CE2 4Å; H4043-Y4047 WeakPolarHBondContact O-CB 3.42Å; H4043-Y4047 WeakPolarHBondContact O-CD2 3.44Å; H4043-Y4047 PolarHBondContact O-N 3.12Å |
| 4044 | L | 46.3 | Very low | 44.3 | Very low | 27 Ų | 27 | 69.3 Ų | 69.3 | 14% | 0.141 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.2 | -40.1 | -179.3 | -153.3 | 130.4 | 0 | 0 | 0 | 111.5 | F3919 L3923 L3955 L4002 L4038 F4040 I4041 P4042 Y4047 L4048 | F3919-L4044 HydrophobicContact CE2-CD1 3.65Å; F3919-L4044 HydrophobicContact CZ-CD1 3.43Å; F3919-L4044 VanDerWaalsContact CZ-CD1 3.43Å; F3919-L4044 HydrophobicContact CZ-CG 4.33Å; L3923-L4044 HydrophobicContact CD1-CD1 3.75Å; L3923-L4044 HydrophobicContact CD1-CD2 3.45Å; L3923-L4044 VanDerWaalsContact CD1-CD2 3.45Å; L3923-L4044 HydrophobicContact CD1-CG 3.81Å; L3923-L4044 HydrophobicContact CD2-CD1 4.19Å; L3923-L4044 HydrophobicContact CG-CD1 3.85Å; L3955-L4044 HydrophobicContact CD2-CD1 4.05Å; L3955-L4044 HydrophobicContact CD2-CD2 3.53Å; L3955-L4044 HydrophobicContact CD2-CG 4.46Å; L4002-L4044 HydrophobicContact CD1-CD1 4.15Å; L4002-L4044 HydrophobicContact CD2-CD1 3.96Å; L4038-L4044 HydrophobicContact CD2-CB 4.1Å; L4038-L4044 HydrophobicContact CD2-CD2 3.27Å; L4038-L4044 HydrophobicContact CD2-CG 4.31Å; F4040-L4044 VanDerWaalsContact O-CB 3.27Å; F4040-L4044 WeakPolarHBondContact O-CB 3.38Å; F4040-L4044 PolarHBondContact O-N 3.38Å; I4041-L4044 HydrophobicContact CB-CB 4.2Å; I4041-L4044 HydrophobicContact CD1-CD1 4.48Å; I4041-L4044 HydrophobicContact CD1-CD2 4.46Å; I4041-L4044 HydrophobicContact CG1-CB 4.14Å; I4041-L4044 HydrophobicContact CG2-CB 3.92Å; I4041-L4044 HydrophobicContact CG2-CD1 4.11Å; I4041-L4044 WeakPolarHBondContact O-CB 3.41Å; I4041-L4044 PolarHBondContact O-N 3.2Å; P4042-L4044 VanDerWaalsContact C-N 3.33Å; P4042-L4044 PolarHBondContact O-N 3.18Å; L4044-Y4047 PolarHBondContact O-N 3.2Å; L4044-L4048 HydrophobicContact CD2-CD1 3.97Å; L4044-L4048 HydrophobicContact CD2-CG 4.1Å; L4044-L4048 WeakPolarHBondContact O-CB 3.26Å; L4044-L4048 WeakPolarHBondContact O-CG 3.31Å; L4044-L4048 PolarHBondContact O-N 3.41Å |
| 4045 | K | 47.4 | Very low | 44.9 | Very low | 78.6667 Ų | 78.6667 | 68.2 Ų | 68.2 | 34% | 0.342 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 171.7 | -142.7 | 178.4 | -177.5 | 177.2 | 0 | 111.3 | D4022 F4034 L4038 I4041 P4042 H4043 Y4047 L4048 C4049 | D4022-K4045 WeakPolarHBondContact OD1-CE 3.4Å; D4022-K4045 IonicContact OD1-NZ 3Å; D4022-K4045 PolarHBondContact OD1-NZ 2.92Å; D4022-K4045 WeakPolarHBondContact OD2-CE 3.49Å; D4022-K4045 IonicContact OD2-NZ 3.27Å; D4022-K4045 PolarHBondContact OD2-NZ 2.77Å; F4034-K4045 HydrophobicContact CE1-CD 4.33Å; F4034-K4045 VanDerWaalsContact CE1-CE 3.48Å; F4034-K4045 HydrophobicContact CE1-CG 4.18Å; F4034-K4045 HydrophobicContact CZ-CG 3.92Å; L4038-K4045 HydrophobicContact CB-CB 4.31Å; I4041-K4045 HydrophobicContact CG2-CD 4.24Å; I4041-K4045 HydrophobicContact CG2-CG 3.84Å; I4041-K4045 WeakPolarHBondContact O-CB 3.47Å; I4041-K4045 PolarHBondContact O-N 3.05Å; P4042-K4045 PolarHBondContact O-N 3.07Å; H4043-K4045 PolarHBondContact O-N 2.94Å; K4045-Y4047 VanDerWaalsContact C-N 3.32Å; K4045-Y4047 PolarHBondContact O-N 3.3Å; K4045-L4048 PolarHBondContact O-N 3.23Å; K4045-C4049 WeakPolarHBondContact O-CB 3.39Å; K4045-C4049 PolarHBondContact O-N 3.15Å; K4045-C4049 PolarHBondContact O-SG 3Å |
| 4046 | Y | 47.2 | Very low | 45.3 | Very low | 112.667 Ų | 112.667 | 64.3 Ų | 64.3 | 44% | 0.442 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 175.9 | -177.3 | -100 | 0 | 0 | 0 | 112.2 | P4042 H4043 C4049 N4050 L4095 | P4042-Y4046 WeakPolarHBondContact O-CB 3.27Å; P4042-Y4046 PolarHBondContact O-N 3.18Å; P4042-Y4046 VanDerWaalsContact O-N 3.09Å; H4043-Y4046 WeakPolarHBondContact O-CB 3.39Å; H4043-Y4046 PolarHBondContact O-N 2.99Å; Y4046-C4049 PolarHBondContact O-N 3.39Å; Y4046-N4050 WeakPolarHBondContact CD1-ND2 3.48Å; Y4046-N4050 WeakPolarHBondContact CE1-ND2 3.22Å; Y4046-N4050 VanDerWaalsContact CZ-ND2 3.25Å; Y4046-N4050 VanDerWaalsContact O-CB 3.31Å; Y4046-N4050 WeakPolarHBondContact O-CB 3.47Å; Y4046-N4050 PolarHBondContact O-N 2.99Å; Y4046-N4050 PolarHBondContact OH-ND2 3.09Å; Y4046-L4095 HydrophobicContact CE2-CB 4.48Å |
| 4047 | Y | 48.9 | Very low | 45.4 | Very low | 73 Ų | 73 | 60.5 Ų | 60.5 | 29% | 0.286 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 176.7 | -83 | -67.6 | 0 | 0 | 0 | 113.3 | H3972 L3975 L3976 H4043 L4044 K4045 N4050 S4051 | H3972-Y4047 PolarHBondContact CE1-OH 3.13Å; H3972-Y4047 AromaticContact ND1-CZ 3.72Å; H3972-Y4047 PolarHBondContact ND1-OH 3.22Å; L3975-Y4047 HydrophobicContact CB-CE1 4.05Å; L3975-Y4047 WeakPolarHBondContact CB-OH 3.08Å; L3975-Y4047 HydrophobicContact CD1-CE2 4.04Å; L3975-Y4047 VanDerWaalsContact CD1-OH 3.3Å; L3975-Y4047 WeakPolarHBondContact CD1-OH 3.48Å; L3975-Y4047 HydrophobicContact CD2-CE1 4.38Å; L3976-Y4047 HydrophobicContact CD2-CD1 4.3Å; L3976-Y4047 HydrophobicContact CD2-CE1 3.97Å; L3976-Y4047 HydrophobicContact CG-CE1 3.94Å; H4043-Y4047 VanDerWaalsContact C-CD2 3.44Å; H4043-Y4047 HydrophobicContact CB-CD2 4.28Å; H4043-Y4047 HydrophobicContact CB-CE2 4Å; H4043-Y4047 WeakPolarHBondContact O-CB 3.42Å; H4043-Y4047 WeakPolarHBondContact O-CD2 3.44Å; H4043-Y4047 PolarHBondContact O-N 3.12Å; L4044-Y4047 PolarHBondContact O-N 3.2Å; K4045-Y4047 VanDerWaalsContact C-N 3.32Å; K4045-Y4047 PolarHBondContact O-N 3.3Å; Y4047-N4050 PolarHBondContact O-N 3.13Å; Y4047-S4051 WeakPolarHBondContact O-CB 3.33Å; Y4047-S4051 PolarHBondContact O-N 3.21Å |
| 4048 | L | 49.7 | Very low | 45.4 | Very low | 12.3333 Ų | 12.3333 | 62.5 Ų | 62.5 | 7% | 0.065 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 175.7 | -92.8 | 159.5 | 0 | 0 | 0 | 110.8 | L3923 Y3926 T3927 L3930 L4006 L4014 L4017 I4018 L4038 L4044 K4045 N4050 S4051 L4052 | L3923-L4048 HydrophobicContact CD1-CD1 4.45Å; Y3926-L4048 HydrophobicContact CD1-CD1 4.27Å; Y3926-L4048 HydrophobicContact CE1-CD1 4.23Å; T3927-L4048 HydrophobicContact CG2-CD1 4.34Å; T3927-L4048 HydrophobicContact CG2-CD2 3.61Å; T3927-L4048 HydrophobicContact CG2-CG 3.79Å; L3930-L4048 HydrophobicContact CD1-CD2 4.21Å; L4006-L4048 HydrophobicContact CD2-CD2 3.97Å; L4014-L4048 HydrophobicContact CD2-CD2 3.67Å; L4017-L4048 HydrophobicContact CB-CD1 3.99Å; L4017-L4048 HydrophobicContact CB-CD2 4.22Å; L4017-L4048 HydrophobicContact CD1-CD2 4.12Å; I4018-L4048 HydrophobicContact CD1-CB 4.44Å; I4018-L4048 HydrophobicContact CG1-CB 3.92Å; I4018-L4048 HydrophobicContact CG1-CD1 4.41Å; L4038-L4048 HydrophobicContact CD1-CD1 4.23Å; L4038-L4048 HydrophobicContact CD2-CD1 4.46Å; L4044-L4048 HydrophobicContact CD2-CD1 3.97Å; L4044-L4048 HydrophobicContact CD2-CG 4.1Å; L4044-L4048 WeakPolarHBondContact O-CB 3.26Å; L4044-L4048 WeakPolarHBondContact O-CG 3.31Å; L4044-L4048 PolarHBondContact O-N 3.41Å; K4045-L4048 PolarHBondContact O-N 3.23Å; L4048-N4050 VanDerWaalsContact C-N 3.35Å; L4048-N4050 PolarHBondContact O-N 3.02Å; L4048-S4051 PolarHBondContact O-N 2.86Å; L4048-S4051 PolarHBondContact O-OG 3.05Å; L4048-L4052 HydrophobicContact CD2-CD1 4.12Å; L4048-L4052 WeakPolarHBondContact O-CB 3.16Å; L4048-L4052 WeakPolarHBondContact O-CD1 3.38Å; L4048-L4052 WeakPolarHBondContact O-CG 3.42Å; L4048-L4052 PolarHBondContact O-N 3.28Å |
| 4049 | C | 49.8 | Very low | 45.5 | Very low | 34 Ų | 34 | 64.7 Ų | 64.7 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.5 | -48.2 | 175.5 | -71.7 | 0 | 0 | 0 | 0 | 111.7 | K4045 Y4046 S4051 L4052 I4053 | K4045-C4049 WeakPolarHBondContact O-CB 3.39Å; K4045-C4049 PolarHBondContact O-N 3.15Å; K4045-C4049 PolarHBondContact O-SG 3Å; Y4046-C4049 PolarHBondContact O-N 3.39Å; C4049-S4051 PolarHBondContact O-N 3.12Å; C4049-L4052 WeakPolarHBondContact O-CB 3.49Å; C4049-L4052 PolarHBondContact O-N 3.34Å; C4049-I4053 WeakPolarHBondContact O-CB 3.41Å; C4049-I4053 WeakPolarHBondContact O-CD1 3.2Å; C4049-I4053 VanDerWaalsContact O-CG1 3.23Å; C4049-I4053 WeakPolarHBondContact O-CG1 3.29Å; C4049-I4053 PolarHBondContact O-N 2.95Å |
| 4050 | N | 47.8 | Very low | 45.2 | Very low | 57 Ų | 57 | 60.7 Ų | 60.7 | 31% | 0.305 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.3 | -36.3 | 179 | -80 | -11 | 0 | 0 | 0 | 113.1 | Y4046 Y4047 L4048 L4052 I4053 G4054 | Y4046-N4050 WeakPolarHBondContact CD1-ND2 3.48Å; Y4046-N4050 WeakPolarHBondContact CE1-ND2 3.22Å; Y4046-N4050 VanDerWaalsContact CZ-ND2 3.25Å; Y4046-N4050 VanDerWaalsContact O-CB 3.31Å; Y4046-N4050 WeakPolarHBondContact O-CB 3.47Å; Y4046-N4050 PolarHBondContact O-N 2.99Å; Y4046-N4050 PolarHBondContact OH-ND2 3.09Å; Y4047-N4050 PolarHBondContact O-N 3.13Å; L4048-N4050 VanDerWaalsContact C-N 3.35Å; L4048-N4050 PolarHBondContact O-N 3.02Å; N4050-L4052 VanDerWaalsContact C-N 3.34Å; N4050-I4053 PolarHBondContact O-N 2.84Å; N4050-G4054 PolarHBondContact O-N 3.22Å |
| 4051 | S | 48.4 | Very low | 45 | Very low | 23.3333 Ų | 23.3333 | 61.2 Ų | 61.2 | 16% | 0.163 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.5 | -40 | 174.6 | 158.6 | 0 | 0 | 0 | 0 | 111.9 | T3979 L4014 Y4047 L4048 C4049 K4055 | T3979-S4051 WeakPolarHBondContact CB-OG 3.4Å; T3979-S4051 PolarHBondContact O-OG 2.99Å; L4014-S4051 WeakPolarHBondContact CD2-OG 3.22Å; Y4047-S4051 WeakPolarHBondContact O-CB 3.33Å; Y4047-S4051 PolarHBondContact O-N 3.21Å; L4048-S4051 PolarHBondContact O-N 2.86Å; L4048-S4051 PolarHBondContact O-OG 3.05Å; C4049-S4051 PolarHBondContact O-N 3.12Å; S4051-K4055 WeakPolarHBondContact O-CB 3.3Å; S4051-K4055 WeakPolarHBondContact O-CG 3.4Å; S4051-K4055 PolarHBondContact O-N 3.14Å |
| 4052 | L | 50.7 | Low | 44.5 | Very low | 14.6667 Ų | 14.6667 | 65.7 Ų | 65.7 | 8% | 0.077 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.9 | -47.9 | 175.6 | -118.7 | 156.5 | 0 | 0 | 0 | 110.8 | L3931 I3934 L4014 I4015 I4018 L4048 C4049 N4050 K4055 L4056 | L3931-L4052 HydrophobicContact CD1-CD2 4.32Å; L3931-L4052 HydrophobicContact CD2-CB 4.37Å; L3931-L4052 HydrophobicContact CD2-CD1 3.62Å; L3931-L4052 HydrophobicContact CD2-CD2 4.09Å; L3931-L4052 HydrophobicContact CD2-CG 3.49Å; L3931-L4052 VanDerWaalsContact CD2-CG 3.49Å; L3931-L4052 HydrophobicContact CG-CD2 3.56Å; I3934-L4052 HydrophobicContact CD1-CD2 3.99Å; L4014-L4052 HydrophobicContact CB-CB 4.35Å; L4014-L4052 HydrophobicContact CB-CD1 3.96Å; L4014-L4052 HydrophobicContact CB-CG 3.97Å; L4014-L4052 HydrophobicContact CD1-CB 4.38Å; I4015-L4052 HydrophobicContact CG1-CD1 3.82Å; I4018-L4052 HydrophobicContact CD1-CD1 3.4Å; L4048-L4052 HydrophobicContact CD2-CD1 4.12Å; L4048-L4052 WeakPolarHBondContact O-CB 3.16Å; L4048-L4052 WeakPolarHBondContact O-CD1 3.38Å; L4048-L4052 WeakPolarHBondContact O-CG 3.42Å; L4048-L4052 PolarHBondContact O-N 3.28Å; C4049-L4052 WeakPolarHBondContact O-CB 3.49Å; C4049-L4052 PolarHBondContact O-N 3.34Å; N4050-L4052 VanDerWaalsContact C-N 3.34Å; L4052-K4055 PolarHBondContact O-N 3.22Å; L4052-L4056 HydrophobicContact CD2-CD1 3.76Å; L4052-L4056 HydrophobicContact CD2-CG 3.86Å; L4052-L4056 WeakPolarHBondContact O-CB 3.28Å; L4052-L4056 WeakPolarHBondContact O-CD1 3.26Å; L4052-L4056 VanDerWaalsContact O-CG 3.28Å; L4052-L4056 WeakPolarHBondContact O-CG 3.44Å; L4052-L4056 PolarHBondContact O-N 3.37Å |
| 4053 | I | 47.7 | Very low | 44.1 | Very low | 53 Ų | 53 | 68.2 Ų | 68.2 | 27% | 0.272 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.1 | -48.3 | 176 | -68 | 163.7 | 0 | 0 | 0 | 110.3 | C4049 N4050 K4055 L4056 C4057 I4088 I4091 L4095 | C4049-I4053 WeakPolarHBondContact O-CB 3.41Å; C4049-I4053 WeakPolarHBondContact O-CD1 3.2Å; C4049-I4053 VanDerWaalsContact O-CG1 3.23Å; C4049-I4053 WeakPolarHBondContact O-CG1 3.29Å; C4049-I4053 PolarHBondContact O-N 2.95Å; N4050-I4053 PolarHBondContact O-N 2.84Å; I4053-K4055 VanDerWaalsContact C-N 3.32Å; I4053-K4055 PolarHBondContact O-N 3.18Å; I4053-L4056 CarbonylContact O-C 3.58Å; I4053-L4056 WeakPolarHBondContact O-CB 3.46Å; I4053-L4056 PolarHBondContact O-N 3.09Å; I4053-C4057 WeakPolarHBondContact O-CB 3.3Å; I4053-C4057 PolarHBondContact O-N 3.32Å; I4053-C4057 PolarHBondContact O-SG 2.91Å; I4053-I4088 HydrophobicContact CG2-CG2 3.81Å; I4053-I4091 HydrophobicContact CD1-CG2 3.82Å; I4053-L4095 HydrophobicContact CD1-CD1 4.24Å |
| 4054 | G | 46 | Very low | 43.5 | Very low | 33.6667 Ų | 33.6667 | 69.5 Ų | 69.5 | 35% | 0.347 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N4050 C4057 N4058 | N4050-G4054 PolarHBondContact O-N 3.22Å; G4054-C4057 PolarHBondContact O-N 2.89Å; G4054-N4058 PolarHBondContact O-N 3.09Å; G4054-N4058 VanDerWaalsContact O-N 3.11Å |
| 4055 | K | 48.1 | Very low | 42.8 | Very low | 37.6667 Ų | 37.6667 | 76.9 Ų | 76.9 | 16% | 0.164 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.2 | -44 | 173.8 | -78.3 | 176.5 | 176.3 | 172.9 | 0 | 111.8 | N3928 L3931 T3979 L4006 N4007 L4009 L4014 S4051 L4052 I4053 C4057 N4058 Y4059 | N3928-K4055 PolarHBondContact OD1-NZ 3.17Å; L3931-K4055 HydrophobicContact CD1-CD 4Å; T3979-K4055 WeakPolarHBondContact O-CE 3.33Å; L4006-K4055 PolarHBondContact O-NZ 3.01Å; N4007-K4055 VanDerWaalsContact O-CE 3.29Å; N4007-K4055 WeakPolarHBondContact O-CE 3.08Å; N4007-K4055 PolarHBondContact O-NZ 2.96Å; L4009-K4055 PolarHBondContact O-NZ 3.13Å; L4014-K4055 HydrophobicContact CD1-CD 3.75Å; S4051-K4055 WeakPolarHBondContact O-CB 3.3Å; S4051-K4055 WeakPolarHBondContact O-CG 3.4Å; S4051-K4055 PolarHBondContact O-N 3.14Å; L4052-K4055 PolarHBondContact O-N 3.22Å; I4053-K4055 VanDerWaalsContact C-N 3.32Å; I4053-K4055 PolarHBondContact O-N 3.18Å; K4055-C4057 PolarHBondContact O-N 3.3Å; K4055-N4058 WeakPolarHBondContact O-CB 3.37Å; K4055-N4058 PolarHBondContact O-N 3.1Å; K4055-Y4059 WeakPolarHBondContact O-CD2 3.33Å; K4055-Y4059 WeakPolarHBondContact O-CE2 3.41Å; K4055-Y4059 PolarHBondContact O-N 3.14Å |
| 4056 | L | 44.9 | Very low | 42.2 | Very low | 53.6667 Ų | 53.6667 | 80.2 Ų | 80.2 | 28% | 0.281 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 176.1 | -73.9 | 169.1 | 0 | 0 | 0 | 112.6 | M3935 F4024 L4052 I4053 N4058 Y4059 T4060 Y4077 | M3935-L4056 HydrophobicContact SD-CD2 4.22Å; F4024-L4056 HydrophobicContact CE2-CD1 4.06Å; F4024-L4056 HydrophobicContact CZ-CD1 4.35Å; L4052-L4056 HydrophobicContact CD2-CD1 3.76Å; L4052-L4056 HydrophobicContact CD2-CG 3.86Å; L4052-L4056 WeakPolarHBondContact O-CB 3.28Å; L4052-L4056 WeakPolarHBondContact O-CD1 3.26Å; L4052-L4056 VanDerWaalsContact O-CG 3.28Å; L4052-L4056 WeakPolarHBondContact O-CG 3.44Å; L4052-L4056 PolarHBondContact O-N 3.37Å; I4053-L4056 CarbonylContact O-C 3.58Å; I4053-L4056 WeakPolarHBondContact O-CB 3.46Å; I4053-L4056 PolarHBondContact O-N 3.09Å; L4056-N4058 PolarHBondContact O-N 3.33Å; L4056-Y4059 WeakPolarHBondContact O-CB 3.34Å; L4056-Y4059 PolarHBondContact O-N 3.18Å; L4056-T4060 PolarHBondContact O-N 3.19Å; L4056-Y4077 WeakPolarHBondContact CD2-OH 3.42Å |
| 4057 | C | 41.5 | Very low | 41.6 | Very low | 55.3333 Ų | 55.3333 | 82.3 Ų | 82.3 | 37% | 0.374 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.4 | -31.9 | 175.1 | -70.5 | 0 | 0 | 0 | 0 | 113 | I4053 G4054 K4055 Y4059 T4060 | I4053-C4057 WeakPolarHBondContact O-CB 3.3Å; I4053-C4057 PolarHBondContact O-N 3.32Å; I4053-C4057 PolarHBondContact O-SG 2.91Å; G4054-C4057 PolarHBondContact O-N 2.89Å; K4055-C4057 PolarHBondContact O-N 3.3Å; C4057-Y4059 PolarHBondContact O-N 3.3Å; C4057-T4060 PolarHBondContact O-N 3.2Å; C4057-T4060 PolarHBondContact O-OG1 3.07Å |
| 4058 | N | 39.8 | Very low | 40.7 | Very low | 105 Ų | 105 | 87.3 Ų | 87.3 | 56% | 0.561 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -68.3 | -27.8 | 173.4 | -75.5 | -13.5 | 0 | 0 | 0 | 112.2 | G4054 K4055 L4056 T4060 H4061 | G4054-N4058 PolarHBondContact O-N 3.09Å; G4054-N4058 VanDerWaalsContact O-N 3.11Å; K4055-N4058 WeakPolarHBondContact O-CB 3.37Å; K4055-N4058 PolarHBondContact O-N 3.1Å; L4056-N4058 PolarHBondContact O-N 3.33Å; N4058-T4060 VanDerWaalsContact C-N 3.33Å; N4058-T4060 PolarHBondContact O-N 2.97Å; N4058-H4061 PolarHBondContact O-N 3.46Å |
| 4059 | Y | 39.8 | Very low | 39.9 | Very low | 77 Ų | 77 | 91.7 Ų | 91.7 | 30% | 0.302 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.5 | -28.5 | 174.6 | -75.6 | -76.9 | 0 | 0 | 0 | 113 | V3985 K4055 L4056 C4057 H4061 L4062 F4063 | V3985-Y4059 HydrophobicContact CG1-CD1 4.48Å; V3985-Y4059 HydrophobicContact CG1-CE1 3.94Å; V3985-Y4059 VanDerWaalsContact CG1-CE1 3.5Å; V3985-Y4059 HydrophobicContact CG2-CE1 4Å; K4055-Y4059 WeakPolarHBondContact O-CD2 3.33Å; K4055-Y4059 WeakPolarHBondContact O-CE2 3.41Å; K4055-Y4059 PolarHBondContact O-N 3.14Å; L4056-Y4059 WeakPolarHBondContact O-CB 3.34Å; L4056-Y4059 PolarHBondContact O-N 3.18Å; C4057-Y4059 PolarHBondContact O-N 3.3Å; Y4059-H4061 VanDerWaalsContact C-N 3.26Å; Y4059-H4061 PolarHBondContact O-N 3.34Å; Y4059-H4061 VanDerWaalsContact O-N 3.07Å; Y4059-L4062 PolarHBondContact O-N 3.3Å; Y4059-F4063 WeakPolarHBondContact O-CD2 3.34Å; Y4059-F4063 VanDerWaalsContact O-CE2 3.28Å; Y4059-F4063 WeakPolarHBondContact O-CE2 3.45Å |
| 4060 | T | 35.8 | Very low | 39.1 | Very low | 71 Ų | 71 | 100.7 Ų | 100.7 | 44% | 0.436 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -22 | -179.9 | 50.8 | 0 | 0 | 0 | 0 | 113.9 | L4056 C4057 N4058 L4062 L4084 | L4056-T4060 PolarHBondContact O-N 3.19Å; C4057-T4060 PolarHBondContact O-N 3.2Å; C4057-T4060 PolarHBondContact O-OG1 3.07Å; N4058-T4060 VanDerWaalsContact C-N 3.33Å; N4058-T4060 PolarHBondContact O-N 2.97Å; T4060-L4062 VanDerWaalsContact C-N 3.32Å; T4060-L4062 PolarHBondContact O-N 3.07Å; T4060-L4084 HydrophobicContact CG2-CD2 3.87Å |
| 4061 | H | 35.7 | Very low | 38.3 | Very low | 149.667 Ų | 149.667 | 103.9 Ų | 103.9 | 69% | 0.693 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -12.4 | 177.5 | -77 | -66.2 | 0 | 0 | 0 | 114.4 | N4058 Y4059 F4063 | N4058-H4061 PolarHBondContact O-N 3.46Å; Y4059-H4061 VanDerWaalsContact C-N 3.26Å; Y4059-H4061 PolarHBondContact O-N 3.34Å; Y4059-H4061 VanDerWaalsContact O-N 3.07Å; H4061-F4063 VanDerWaalsContact C-N 3.31Å; H4061-F4063 PolarHBondContact O-N 3.27Å |
| 4062 | L | 32.8 | Very low | 37.6 | Very low | 123 Ų | 123 | 109.5 Ų | 109.5 | 64% | 0.644 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 13.9 | -177.2 | -79.2 | 161.4 | 0 | 0 | 0 | 113.1 | Y4059 T4060 I4064 | Y4059-L4062 PolarHBondContact O-N 3.3Å; T4060-L4062 VanDerWaalsContact C-N 3.32Å; T4060-L4062 PolarHBondContact O-N 3.07Å; L4062-I4064 PolarHBondContact O-N 3.3Å |
| 4063 | F | 33.5 | Very low | 36.7 | Very low | 129 Ų | 129 | 114.5 Ų | 114.5 | 57% | 0.566 | 58% | 0.583 | S | S | * | * | trans | -93.1 | 22.6 | -179.9 | -79.4 | -73.6 | 0 | 0 | 0 | 114.4 | L3988 Y4059 H4061 E4065 | L3988-F4063 HydrophobicContact CD2-CE1 3.75Å; L3988-F4063 HydrophobicContact CD2-CE2 4.4Å; L3988-F4063 HydrophobicContact CD2-CZ 3.82Å; L3988-F4063 VanDerWaalsContact CD2-CZ 3.41Å; Y4059-F4063 WeakPolarHBondContact O-CD2 3.34Å; Y4059-F4063 VanDerWaalsContact O-CE2 3.28Å; Y4059-F4063 WeakPolarHBondContact O-CE2 3.45Å; H4061-F4063 VanDerWaalsContact C-N 3.31Å; H4061-F4063 PolarHBondContact O-N 3.27Å; F4063-E4065 VanDerWaalsContact C-N 3.25Å; F4063-E4065 PolarHBondContact O-N 3.1Å | ||
| 4064 | I | 32.1 | Very low | 36.1 | Very low | 138 Ų | 138 | 119.8 Ų | 119.8 | 71% | 0.708 | 61% | 0.612 | S | S | * | * | trans | -100.8 | 55.6 | 174.9 | -52.4 | 176 | 0 | 0 | 0 | 110.2 | L4062 D4066 | L4062-I4064 PolarHBondContact O-N 3.3Å; I4064-D4066 PolarHBondContact O-N 3.36Å | ||
| 4065 | E | 31.6 | Very low | 35.5 | Very low | 183 Ų | 183 | 122 Ų | 122 | 86% | 0.855 | 62% | 0.615 | S | S | * | * | trans | -112.7 | 138 | 157 | -85 | -179.2 | 171.3 | 0 | 0 | 110.8 | F4063 D4067 | F4063-E4065 VanDerWaalsContact C-N 3.25Å; F4063-E4065 PolarHBondContact O-N 3.1Å; E4065-D4067 VanDerWaalsContact C-N 3.3Å; E4065-D4067 PolarHBondContact O-N 3.09Å | ||
| 4066 | D | 34.5 | Very low | 35.1 | Very low | 147.333 Ų | 147.333 | 123 Ų | 123 | 79% | 0.788 | 63% | 0.627 | S | S | * | * | trans | -71.6 | 20.2 | -157.6 | -82 | -54.4 | 0 | 0 | 0 | 117.2 | I4064 | I4064-D4066 PolarHBondContact O-N 3.36Š| ||
| 4067 | D | 33.3 | Very low | 34.7 | Very low | 157.333 Ų | 157.333 | 127.7 Ų | 127.7 | 84% | 0.841 | 64% | 0.642 | S | S | * | * | trans | -119.1 | 45.3 | -172.3 | -76.3 | -21.9 | 0 | 0 | 0 | 117.6 | E4065 | E4065-D4067 VanDerWaalsContact C-N 3.3Å; E4065-D4067 PolarHBondContact O-N 3.09Å | ||
| 4068 | F | 30.8 | Very low | 34.6 | Very low | 177.333 Ų | 177.333 | 132.5 Ų | 132.5 | 78% | 0.778 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -115.7 | 134.6 | 162.4 | -102.4 | -93.1 | 0 | 0 | 0 | 112.8 | R4070 | F4068-R4070 PolarHBondContact O-N 3.1Å; F4068-R4070 VanDerWaalsContact O-N 3.15Å |
| 4069 | P | 33.4 | Very low | 34.7 | Very low | 105.333 Ų | 105.333 | 132 Ų | 132 | 68% | 0.684 | 65% | 0.653 | S | S | * | * | trans | -71.4 | 117 | -165.3 | 16.3 | -15.7 | 0 | 0 | 0 | 112 | T4071 | P4069-T4071 VanDerWaalsContact C-N 3.33Å; P4069-T4071 PolarHBondContact O-N 3.01Å; P4069-T4071 PolarHBondContact O-OG1 3.24Å | ||
| 4070 | R | 32.5 | Very low | 34.7 | Very low | 223 Ų | 223 | 131.1 Ų | 131.1 | 84% | 0.842 | 65% | 0.653 | S | S | * | * | trans | -62.7 | 40.4 | -179.8 | -69.6 | -178.8 | 174.7 | -179.4 | -1.1 | 114.7 | F4068 | F4068-R4070 PolarHBondContact O-N 3.1Å; F4068-R4070 VanDerWaalsContact O-N 3.15Å | ||
| 4071 | T | 32.2 | Very low | 34.9 | Very low | 123.667 Ų | 123.667 | 130 Ų | 130 | 76% | 0.759 | 65% | 0.651 | S | S | * | * | trans | -108.4 | 24.1 | -173.9 | 37 | 0 | 0 | 0 | 0 | 114.6 | P4069 | P4069-T4071 VanDerWaalsContact C-N 3.33Å; P4069-T4071 PolarHBondContact O-N 3.01Å; P4069-T4071 PolarHBondContact O-OG1 3.24Å | ||
| 4072 | I | 33.4 | Very low | 35.3 | Very low | 141.667 Ų | 141.667 | 128.4 Ų | 128.4 | 73% | 0.726 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -96.8 | 10.9 | 170.6 | -57.3 | 177.9 | 0 | 0 | 0 | 114.6 | N4074 | I4072-N4074 VanDerWaalsContact C-N 3.3Å; I4072-N4074 HydrophobicContact CG2-CB 3.78Å; I4072-N4074 WeakPolarHBondContact CG2-ND2 3.34Å; I4072-N4074 VanDerWaalsContact CG2-OD1 3.25Å; I4072-N4074 WeakPolarHBondContact CG2-OD1 3.08Å; I4072-N4074 PolarHBondContact O-N 2.99Å |
| 4073 | L | 31 | Very low | 35.8 | Very low | 120.333 Ų | 120.333 | 127.9 Ų | 127.9 | 63% | 0.63 | 64% | 0.638 | S | S | * | * | trans | -114.3 | 111.8 | 168.7 | -73.8 | 164.3 | 0 | 0 | 0 | 109.8 | I4075 I4080 | L4073-I4075 PolarHBondContact O-N 3.27Å; L4073-I4080 HydrophobicContact CD1-CD1 4.42Å | ||
| 4074 | N | 34.5 | Very low | 36.1 | Very low | 163.333 Ų | 163.333 | 124.7 Ų | 124.7 | 87% | 0.873 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -82.4 | 40.7 | 178.3 | -90.7 | -2.4 | 0 | 0 | 0 | 113 | I4072 | I4072-N4074 VanDerWaalsContact C-N 3.3Å; I4072-N4074 HydrophobicContact CG2-CB 3.78Å; I4072-N4074 WeakPolarHBondContact CG2-ND2 3.34Å; I4072-N4074 VanDerWaalsContact CG2-OD1 3.25Å; I4072-N4074 WeakPolarHBondContact CG2-OD1 3.08Å; I4072-N4074 PolarHBondContact O-N 2.99Å |
| 4075 | I | 34.3 | Very low | 36.6 | Very low | 81.3333 Ų | 81.3333 | 125.3 Ų | 125.3 | 42% | 0.417 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -134.6 | 123.9 | 175.6 | -56.9 | 178.6 | 0 | 0 | 0 | 106.9 | L4073 E4079 I4080 | L4073-I4075 PolarHBondContact O-N 3.27Å; I4075-E4079 HydrophobicContact CG2-CB 3.52Å; I4075-E4079 VanDerWaalsContact CG2-CB 3.41Å; I4075-E4079 HydrophobicContact CG2-CG 4.29Å; I4075-E4079 WeakPolarHBondContact CG2-OE2 3.44Å; I4075-I4080 HydrophobicContact CB-CD1 4.46Å; I4075-I4080 HydrophobicContact CB-CG1 4.21Å; I4075-I4080 HydrophobicContact CG2-CD1 4.45Å; I4075-I4080 HydrophobicContact CG2-CG1 3.76Å |
| 4076 | S | 39.2 | Very low | 37.3 | Very low | 58.6667 Ų | 58.6667 | 120.6 Ų | 120.6 | 41% | 0.41 | 60% | 0.604 | S | S | . | * | trans | -68.4 | 152.7 | -178.4 | 67.1 | 0 | 0 | 0 | 0 | 111.1 | E4078 E4079 I4080 | S4076-E4078 PolarHBondContact O-N 3.19Å; S4076-E4079 PolarHBondContact N-OE2 3.19Å; S4076-E4079 WeakPolarHBondContact O-CB 3.48Å; S4076-E4079 PolarHBondContact O-N 3.32Å; S4076-E4079 WeakPolarHBondContact OG-CB 3.06Å; S4076-E4079 WeakPolarHBondContact OG-CG 3.46Å; S4076-E4079 PolarHBondContact OG-N 3.41Å; S4076-E4079 PolarHBondContact OG-OE2 3.36Å; S4076-I4080 PolarHBondContact O-N 3.04Å | ||
| 4077 | Y | 36.9 | Very low | 37.6 | Very low | 152.333 Ų | 152.333 | 116.4 Ų | 116.4 | 60% | 0.597 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -54.8 | -31.7 | 175.6 | -147.1 | -89 | 0 | 0 | 0 | 112.2 | L4056 I4080 A4081 | L4056-Y4077 WeakPolarHBondContact CD2-OH 3.42Å; Y4077-I4080 PolarHBondContact O-N 3.47Å; Y4077-A4081 WeakPolarHBondContact O-CB 3.41Å; Y4077-A4081 PolarHBondContact O-N 3.32Å |
| 4078 | E | 39.4 | Very low | 37.9 | Very low | 154.333 Ų | 154.333 | 111.6 Ų | 111.6 | 72% | 0.721 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.8 | -42.9 | 173.4 | -113.6 | 175.6 | 162.6 | 0 | 0 | 112.6 | S4076 A4081 M4082 | S4076-E4078 PolarHBondContact O-N 3.19Å; E4078-A4081 PolarHBondContact O-N 3.24Å; E4078-M4082 VanDerWaalsContact O-CB 3.27Å; E4078-M4082 WeakPolarHBondContact O-CB 3.44Å; E4078-M4082 WeakPolarHBondContact O-CG 3.42Å; E4078-M4082 PolarHBondContact O-N 3.22Å |
| 4079 | E | 41.7 | Very low | 38.2 | Very low | 96.3333 Ų | 96.3333 | 105.6 Ų | 105.6 | 45% | 0.45 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.1 | -35.5 | 175.8 | -83.9 | -174 | 136.5 | 0 | 0 | 112.7 | I4075 S4076 K4083 | I4075-E4079 HydrophobicContact CG2-CB 3.52Å; I4075-E4079 VanDerWaalsContact CG2-CB 3.41Å; I4075-E4079 HydrophobicContact CG2-CG 4.29Å; I4075-E4079 WeakPolarHBondContact CG2-OE2 3.44Å; S4076-E4079 PolarHBondContact N-OE2 3.19Å; S4076-E4079 WeakPolarHBondContact O-CB 3.48Å; S4076-E4079 PolarHBondContact O-N 3.32Å; S4076-E4079 WeakPolarHBondContact OG-CB 3.06Å; S4076-E4079 WeakPolarHBondContact OG-CG 3.46Å; S4076-E4079 PolarHBondContact OG-N 3.41Å; S4076-E4079 PolarHBondContact OG-OE2 3.36Å; E4079-K4083 VanDerWaalsContact O-CB 3.24Å; E4079-K4083 WeakPolarHBondContact O-CB 3.36Å; E4079-K4083 VanDerWaalsContact O-CG 3.24Å; E4079-K4083 WeakPolarHBondContact O-CG 3.42Å; E4079-K4083 PolarHBondContact O-N 3Å; E4079-K4083 IonicContact OE1-NZ 2.78Å; E4079-K4083 PolarHBondContact OE1-NZ 3.48Å |
| 4080 | I | 40 | Very low | 38.6 | Very low | 57 Ų | 57 | 105.2 Ų | 105.2 | 29% | 0.292 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.5 | -46.6 | 175.4 | -65.8 | 173.4 | 0 | 0 | 0 | 109.6 | L4002 L4073 I4075 S4076 Y4077 M4082 K4083 L4084 | L4002-I4080 HydrophobicContact CD1-CG2 3.77Å; L4002-I4080 HydrophobicContact CD2-CG2 3.5Å; L4002-I4080 VanDerWaalsContact CD2-CG2 3.5Å; L4002-I4080 HydrophobicContact CG-CG2 4.27Å; L4073-I4080 HydrophobicContact CD1-CD1 4.42Å; I4075-I4080 HydrophobicContact CB-CD1 4.46Å; I4075-I4080 HydrophobicContact CB-CG1 4.21Å; I4075-I4080 HydrophobicContact CG2-CD1 4.45Å; I4075-I4080 HydrophobicContact CG2-CG1 3.76Å; S4076-I4080 PolarHBondContact O-N 3.04Å; Y4077-I4080 PolarHBondContact O-N 3.47Å; I4080-M4082 VanDerWaalsContact C-N 3.34Å; I4080-M4082 PolarHBondContact O-N 3.29Å; I4080-K4083 PolarHBondContact O-N 3.33Å; I4080-L4084 HydrophobicContact CG2-CD1 4.08Å; I4080-L4084 VanDerWaalsContact O-CB 3.27Å; I4080-L4084 WeakPolarHBondContact O-CB 3.46Å; I4080-L4084 PolarHBondContact O-N 3.1Å |
| 4081 | A | 39.3 | Very low | 38.7 | Very low | 47 Ų | 47 | 97.7 Ų | 97.7 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y4077 E4078 L4084 K4085 | Y4077-A4081 WeakPolarHBondContact O-CB 3.41Å; Y4077-A4081 PolarHBondContact O-N 3.32Å; E4078-A4081 PolarHBondContact O-N 3.24Å; A4081-L4084 PolarHBondContact O-N 3.36Å; A4081-K4085 VanDerWaalsContact O-CB 3.3Å; A4081-K4085 WeakPolarHBondContact O-CB 3.25Å; A4081-K4085 PolarHBondContact O-N 3.15Å |
| 4082 | M | 44.5 | Very low | 38.6 | Very low | 118 Ų | 118 | 97.2 Ų | 97.2 | 58% | 0.581 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.6 | -47.2 | 174.2 | -76.2 | -90.8 | -75.9 | 0 | 0 | 111.5 | E4078 I4080 L4084 K4085 D4086 | E4078-M4082 VanDerWaalsContact O-CB 3.27Å; E4078-M4082 WeakPolarHBondContact O-CB 3.44Å; E4078-M4082 WeakPolarHBondContact O-CG 3.42Å; E4078-M4082 PolarHBondContact O-N 3.22Å; I4080-M4082 VanDerWaalsContact C-N 3.34Å; I4080-M4082 PolarHBondContact O-N 3.29Å; M4082-L4084 VanDerWaalsContact C-N 3.31Å; M4082-L4084 PolarHBondContact O-N 3.15Å; M4082-K4085 CarbonylContact O-C 3.6Å; M4082-K4085 PolarHBondContact O-N 3.16Å; M4082-D4086 VanDerWaalsContact O-CB 3.22Å; M4082-D4086 WeakPolarHBondContact O-CB 3.38Å; M4082-D4086 VanDerWaalsContact O-CG 3.26Å; M4082-D4086 PolarHBondContact O-N 3.18Å |
| 4083 | K | 44.3 | Very low | 38.6 | Very low | 110.667 Ų | 110.667 | 95.3 Ų | 95.3 | 48% | 0.481 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 176.1 | -80.3 | 175.7 | 179.4 | 167.6 | 0 | 112.4 | E4079 I4080 D4086 N4087 | E4079-K4083 VanDerWaalsContact O-CB 3.24Å; E4079-K4083 WeakPolarHBondContact O-CB 3.36Å; E4079-K4083 VanDerWaalsContact O-CG 3.24Å; E4079-K4083 WeakPolarHBondContact O-CG 3.42Å; E4079-K4083 PolarHBondContact O-N 3Å; E4079-K4083 IonicContact OE1-NZ 2.78Å; E4079-K4083 PolarHBondContact OE1-NZ 3.48Å; I4080-K4083 PolarHBondContact O-N 3.33Å; K4083-D4086 PolarHBondContact O-N 2.97Å; K4083-N4087 WeakPolarHBondContact O-CB 3.39Å; K4083-N4087 VanDerWaalsContact O-CG 3.28Å; K4083-N4087 PolarHBondContact O-N 3.04Å; K4083-N4087 PolarHBondContact O-ND2 3.03Å |
| 4084 | L | 40.3 | Very low | 38.7 | Very low | 63.3333 Ų | 63.3333 | 95.3 Ų | 95.3 | 33% | 0.332 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.5 | -40.4 | 176 | -126.9 | 155 | 0 | 0 | 0 | 110.9 | L4002 T4060 I4080 A4081 M4082 N4087 I4088 | L4002-L4084 HydrophobicContact CD2-CB 3.97Å; L4002-L4084 HydrophobicContact CD2-CD1 3.53Å; L4002-L4084 HydrophobicContact CD2-CG 4.07Å; L4002-L4084 HydrophobicContact CG-CD1 4.11Å; T4060-L4084 HydrophobicContact CG2-CD2 3.87Å; I4080-L4084 HydrophobicContact CG2-CD1 4.08Å; I4080-L4084 VanDerWaalsContact O-CB 3.27Å; I4080-L4084 WeakPolarHBondContact O-CB 3.46Å; I4080-L4084 PolarHBondContact O-N 3.1Å; A4081-L4084 PolarHBondContact O-N 3.36Å; M4082-L4084 VanDerWaalsContact C-N 3.31Å; M4082-L4084 PolarHBondContact O-N 3.15Å; L4084-N4087 PolarHBondContact O-N 3.14Å; L4084-I4088 HydrophobicContact CD2-CD1 3.88Å; L4084-I4088 VanDerWaalsContact CD2-CD1 3.43Å; L4084-I4088 HydrophobicContact CD2-CG1 4.24Å; L4084-I4088 VanDerWaalsContact O-CB 3.22Å; L4084-I4088 WeakPolarHBondContact O-CB 3.4Å; L4084-I4088 WeakPolarHBondContact O-CD1 3.38Å; L4084-I4088 VanDerWaalsContact O-CG1 3.26Å; L4084-I4088 WeakPolarHBondContact O-CG1 3.33Å; L4084-I4088 PolarHBondContact O-N 3.01Å |
| 4085 | K | 42.3 | Very low | 38.5 | Very low | 150 Ų | 150 | 92.7 Ų | 92.7 | 65% | 0.652 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.7 | -39.4 | 175 | -163.4 | 177.2 | -176 | -178.3 | 0 | 112.2 | A4081 M4082 N4087 I4088 S4089 | A4081-K4085 VanDerWaalsContact O-CB 3.3Å; A4081-K4085 WeakPolarHBondContact O-CB 3.25Å; A4081-K4085 PolarHBondContact O-N 3.15Å; M4082-K4085 CarbonylContact O-C 3.6Å; M4082-K4085 PolarHBondContact O-N 3.16Å; K4085-N4087 VanDerWaalsContact C-N 3.3Å; K4085-I4088 PolarHBondContact O-N 3.18Å; K4085-S4089 WeakPolarHBondContact O-CB 3.27Å; K4085-S4089 PolarHBondContact O-N 3.02Å; K4085-S4089 PolarHBondContact O-OG 3.28Å; K4085-S4089 VanDerWaalsContact O-OG 3.14Å |
| 4086 | D | 45.5 | Very low | 38.2 | Very low | 84 Ų | 84 | 92 Ų | 92 | 45% | 0.449 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.2 | -34.5 | 173.4 | -82.4 | -7.9 | 0 | 0 | 0 | 112.3 | M4082 K4083 S4089 K4090 | M4082-D4086 VanDerWaalsContact O-CB 3.22Å; M4082-D4086 WeakPolarHBondContact O-CB 3.38Å; M4082-D4086 VanDerWaalsContact O-CG 3.26Å; M4082-D4086 PolarHBondContact O-N 3.18Å; K4083-D4086 PolarHBondContact O-N 2.97Å; D4086-S4089 VanDerWaalsContact CA-OG 3.29Å; D4086-S4089 WeakPolarHBondContact CA-OG 3.32Å; D4086-S4089 PolarHBondContact O-OG 3.35Å; D4086-S4089 VanDerWaalsContact O-OG 3.05Å; D4086-K4090 VanDerWaalsContact O-CB 3.23Å; D4086-K4090 WeakPolarHBondContact O-CB 3.08Å; D4086-K4090 VanDerWaalsContact O-CD 3.28Å; D4086-K4090 WeakPolarHBondContact O-CD 3.32Å; D4086-K4090 WeakPolarHBondContact O-CG 3.34Å; D4086-K4090 PolarHBondContact O-N 3.06Å |
| 4087 | N | 41.5 | Very low | 37.6 | Very low | 59.3333 Ų | 59.3333 | 96.3 Ų | 96.3 | 32% | 0.317 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -75.1 | -39.3 | 175.4 | -76.5 | -13.3 | 0 | 0 | 0 | 111.2 | L4006 K4083 L4084 K4085 S4089 K4090 I4091 | L4006-N4087 HydrophobicContact CD1-CB 3.39Å; L4006-N4087 WeakPolarHBondContact CD1-O 3.39Å; L4006-N4087 HydrophobicContact CG-CB 4.07Å; K4083-N4087 WeakPolarHBondContact O-CB 3.39Å; K4083-N4087 VanDerWaalsContact O-CG 3.28Å; K4083-N4087 PolarHBondContact O-N 3.04Å; K4083-N4087 PolarHBondContact O-ND2 3.03Å; L4084-N4087 PolarHBondContact O-N 3.14Å; K4085-N4087 VanDerWaalsContact C-N 3.3Å; N4087-S4089 VanDerWaalsContact C-N 3.35Å; N4087-S4089 PolarHBondContact O-N 3.42Å; N4087-K4090 WeakPolarHBondContact O-CB 3.47Å; N4087-K4090 PolarHBondContact O-N 3.04Å; N4087-K4090 VanDerWaalsContact O-N 3.11Å; N4087-I4091 VanDerWaalsContact O-CB 3.32Å; N4087-I4091 WeakPolarHBondContact O-CB 3.46Å; N4087-I4091 WeakPolarHBondContact O-CD1 3.4Å; N4087-I4091 VanDerWaalsContact O-CG1 3.32Å; N4087-I4091 WeakPolarHBondContact O-CG1 3.38Å; N4087-I4091 PolarHBondContact O-N 3.27Å |
| 4088 | I | 37.9 | Very low | 37.2 | Very low | 56.6667 Ų | 56.6667 | 94.3 Ų | 94.3 | 29% | 0.291 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 173.5 | -70 | 168.3 | 0 | 0 | 0 | 110.8 | I4053 L4084 K4085 K4090 I4091 L4092 | I4053-I4088 HydrophobicContact CG2-CG2 3.81Å; L4084-I4088 HydrophobicContact CD2-CD1 3.88Å; L4084-I4088 VanDerWaalsContact CD2-CD1 3.43Å; L4084-I4088 HydrophobicContact CD2-CG1 4.24Å; L4084-I4088 VanDerWaalsContact O-CB 3.22Å; L4084-I4088 WeakPolarHBondContact O-CB 3.4Å; L4084-I4088 WeakPolarHBondContact O-CD1 3.38Å; L4084-I4088 VanDerWaalsContact O-CG1 3.26Å; L4084-I4088 WeakPolarHBondContact O-CG1 3.33Å; L4084-I4088 PolarHBondContact O-N 3.01Å; K4085-I4088 PolarHBondContact O-N 3.18Å; I4088-K4090 VanDerWaalsContact C-N 3.33Å; I4088-K4090 PolarHBondContact O-N 3.28Å; I4088-I4091 WeakPolarHBondContact O-CB 3.48Å; I4088-I4091 PolarHBondContact O-N 3.32Å; I4088-L4092 HydrophobicContact CG2-CD1 4.16Å; I4088-L4092 WeakPolarHBondContact O-CD1 3.39Å; I4088-L4092 PolarHBondContact O-N 3.21Å; I4088-L4092 VanDerWaalsContact O-N 3.09Å |
| 4089 | S | 39 | Very low | 36.7 | Very low | 50.6667 Ų | 50.6667 | 92.4 Ų | 92.4 | 35% | 0.354 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.6 | -35.3 | 174.8 | 68.1 | 0 | 0 | 0 | 0 | 111.9 | K4085 D4086 N4087 L4092 N4093 | K4085-S4089 WeakPolarHBondContact O-CB 3.27Å; K4085-S4089 PolarHBondContact O-N 3.02Å; K4085-S4089 PolarHBondContact O-OG 3.28Å; K4085-S4089 VanDerWaalsContact O-OG 3.14Å; D4086-S4089 VanDerWaalsContact CA-OG 3.29Å; D4086-S4089 WeakPolarHBondContact CA-OG 3.32Å; D4086-S4089 PolarHBondContact O-OG 3.35Å; D4086-S4089 VanDerWaalsContact O-OG 3.05Å; N4087-S4089 VanDerWaalsContact C-N 3.35Å; N4087-S4089 PolarHBondContact O-N 3.42Å; S4089-L4092 PolarHBondContact O-N 3.12Å; S4089-N4093 VanDerWaalsContact O-CB 3.26Å; S4089-N4093 WeakPolarHBondContact O-CB 3.41Å; S4089-N4093 PolarHBondContact O-N 3.1Å; S4089-N4093 PolarHBondContact O-OD1 3.15Å |
| 4090 | K | 40.2 | Very low | 36.1 | Very low | 98 Ų | 98 | 95.1 Ų | 95.1 | 43% | 0.426 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.9 | -35.2 | 170.6 | -74.5 | 167.5 | -174.9 | 171.4 | 0 | 113.4 | N4005 D4086 N4087 I4088 L4092 N4093 N4094 | N4005-K4090 PolarHBondContact OD1-NZ 3.07Å; D4086-K4090 VanDerWaalsContact O-CB 3.23Å; D4086-K4090 WeakPolarHBondContact O-CB 3.08Å; D4086-K4090 VanDerWaalsContact O-CD 3.28Å; D4086-K4090 WeakPolarHBondContact O-CD 3.32Å; D4086-K4090 WeakPolarHBondContact O-CG 3.34Å; D4086-K4090 PolarHBondContact O-N 3.06Å; N4087-K4090 WeakPolarHBondContact O-CB 3.47Å; N4087-K4090 PolarHBondContact O-N 3.04Å; N4087-K4090 VanDerWaalsContact O-N 3.11Å; I4088-K4090 VanDerWaalsContact C-N 3.33Å; I4088-K4090 PolarHBondContact O-N 3.28Å; K4090-L4092 VanDerWaalsContact C-N 3.3Å; K4090-L4092 PolarHBondContact O-N 2.93Å; K4090-N4093 PolarHBondContact O-N 3.19Å; K4090-N4094 WeakPolarHBondContact O-CB 3.28Å; K4090-N4094 VanDerWaalsContact O-CG 3.27Å; K4090-N4094 PolarHBondContact O-N 3.28Å; K4090-N4094 PolarHBondContact O-ND2 3.1Å; K4090-N4094 PolarHBondContact O-OD1 2.87Å |
| 4091 | I | 34.7 | Very low | 35.4 | Very low | 65 Ų | 65 | 99 Ų | 99 | 33% | 0.333 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.7 | -39.8 | 174.1 | -66 | 168.1 | 0 | 0 | 0 | 110.4 | L4006 L4014 I4053 N4087 I4088 N4093 N4094 L4095 | L4006-I4091 HydrophobicContact CD1-CD1 3.79Å; L4006-I4091 HydrophobicContact CD1-CG1 3.4Å; L4014-I4091 HydrophobicContact CD2-CD1 4.14Å; L4014-I4091 HydrophobicContact CD2-CG1 4.2Å; L4014-I4091 HydrophobicContact CD2-CG2 4.43Å; I4053-I4091 HydrophobicContact CD1-CG2 3.82Å; N4087-I4091 VanDerWaalsContact O-CB 3.32Å; N4087-I4091 WeakPolarHBondContact O-CB 3.46Å; N4087-I4091 WeakPolarHBondContact O-CD1 3.4Å; N4087-I4091 VanDerWaalsContact O-CG1 3.32Å; N4087-I4091 WeakPolarHBondContact O-CG1 3.38Å; N4087-I4091 PolarHBondContact O-N 3.27Å; I4088-I4091 WeakPolarHBondContact O-CB 3.48Å; I4088-I4091 PolarHBondContact O-N 3.32Å; I4091-N4093 VanDerWaalsContact C-N 3.32Å; I4091-N4093 PolarHBondContact O-N 3.34Å; I4091-N4094 PolarHBondContact O-N 3.35Å; I4091-L4095 HydrophobicContact CG2-CD1 3.91Å; I4091-L4095 HydrophobicContact CG2-CG 4.2Å; I4091-L4095 WeakPolarHBondContact O-CB 3.29Å; I4091-L4095 WeakPolarHBondContact O-CG 3.32Å; I4091-L4095 PolarHBondContact O-N 2.99Å; I4091-L4095 VanDerWaalsContact O-N 3.14Å |
| 4092 | L | 31.5 | Very low | 34.8 | Very low | 113.333 Ų | 113.333 | 101.4 Ų | 101.4 | 59% | 0.593 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.8 | -44.2 | 173.3 | -135.8 | 91.6 | 0 | 0 | 0 | 111.1 | I4088 S4089 K4090 N4094 L4095 S4096 | I4088-L4092 HydrophobicContact CG2-CD1 4.16Å; I4088-L4092 WeakPolarHBondContact O-CD1 3.39Å; I4088-L4092 PolarHBondContact O-N 3.21Å; I4088-L4092 VanDerWaalsContact O-N 3.09Å; S4089-L4092 PolarHBondContact O-N 3.12Å; K4090-L4092 VanDerWaalsContact C-N 3.3Å; K4090-L4092 PolarHBondContact O-N 2.93Å; L4092-N4094 VanDerWaalsContact C-N 3.28Å; L4092-N4094 PolarHBondContact O-N 3.13Å; L4092-L4095 CarbonylContact O-C 3.6Å; L4092-L4095 WeakPolarHBondContact O-CA 3.35Å; L4092-L4095 PolarHBondContact O-N 3.01Å; L4092-S4096 PolarHBondContact O-N 3.34Å; L4092-S4096 PolarHBondContact O-OG 3.47Å |
| 4093 | N | 32.8 | Very low | 33.9 | Very low | 102.667 Ų | 102.667 | 105.3 Ų | 105.3 | 55% | 0.549 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68 | -28.5 | 178 | -68.3 | -4.3 | 0 | 0 | 0 | 113.1 | S4089 K4090 I4091 S4096 | S4089-N4093 VanDerWaalsContact O-CB 3.26Å; S4089-N4093 WeakPolarHBondContact O-CB 3.41Å; S4089-N4093 PolarHBondContact O-N 3.1Å; S4089-N4093 PolarHBondContact O-OD1 3.15Å; K4090-N4093 PolarHBondContact O-N 3.19Å; I4091-N4093 VanDerWaalsContact C-N 3.32Å; I4091-N4093 PolarHBondContact O-N 3.34Å; N4093-S4096 WeakPolarHBondContact CA-OG 3.29Å; N4093-S4096 PolarHBondContact O-OG 3.26Å; N4093-S4096 VanDerWaalsContact O-OG 3.06Å |
| 4094 | N | 33.1 | Very low | 32.9 | Very low | 118.667 Ų | 118.667 | 107.5 Ų | 107.5 | 64% | 0.635 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -83.9 | -14.9 | 175.5 | -70 | -12.3 | 0 | 0 | 0 | 113 | K4090 I4091 L4092 | K4090-N4094 WeakPolarHBondContact O-CB 3.28Å; K4090-N4094 VanDerWaalsContact O-CG 3.27Å; K4090-N4094 PolarHBondContact O-N 3.28Å; K4090-N4094 PolarHBondContact O-ND2 3.1Å; K4090-N4094 PolarHBondContact O-OD1 2.87Å; I4091-N4094 PolarHBondContact O-N 3.35Å; L4092-N4094 VanDerWaalsContact C-N 3.28Å; L4092-N4094 PolarHBondContact O-N 3.13Å |
| 4095 | L | 30.1 | Very low | 32.1 | Very low | 110 Ų | 110 | 109.7 Ų | 109.7 | 58% | 0.576 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -99.9 | -13.7 | 173.3 | -74.4 | 169.6 | 0 | 0 | 0 | 112.8 | Y4046 I4053 I4091 L4092 L4097 | Y4046-L4095 HydrophobicContact CE2-CB 4.48Å; I4053-L4095 HydrophobicContact CD1-CD1 4.24Å; I4091-L4095 HydrophobicContact CG2-CD1 3.91Å; I4091-L4095 HydrophobicContact CG2-CG 4.2Å; I4091-L4095 WeakPolarHBondContact O-CB 3.29Å; I4091-L4095 WeakPolarHBondContact O-CG 3.32Å; I4091-L4095 PolarHBondContact O-N 2.99Å; I4091-L4095 VanDerWaalsContact O-N 3.14Å; L4092-L4095 CarbonylContact O-C 3.6Å; L4092-L4095 WeakPolarHBondContact O-CA 3.35Å; L4092-L4095 PolarHBondContact O-N 3.01Å; L4095-L4097 VanDerWaalsContact C-N 3.31Å; L4095-L4097 PolarHBondContact O-N 3.28Å |
| 4096 | S | 27.5 | Very low | 31.2 | Very low | 65.6667 Ų | 65.6667 | 107.8 Ų | 107.8 | 46% | 0.459 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -74.6 | 90.3 | 165.1 | 65.8 | 0 | 0 | 0 | 0 | 108 | L4092 N4093 D4098 | L4092-S4096 PolarHBondContact O-N 3.34Å; L4092-S4096 PolarHBondContact O-OG 3.47Å; N4093-S4096 WeakPolarHBondContact CA-OG 3.29Å; N4093-S4096 PolarHBondContact O-OG 3.26Å; N4093-S4096 VanDerWaalsContact O-OG 3.06Å; S4096-D4098 PolarHBondContact O-N 2.87Å |
| 4097 | L | 27.7 | Very low | 30.2 | Very low | 149 Ų | 149 | 111.8 Ų | 111.8 | 78% | 0.78 | 61% | 0.61 | S | S | * | * | trans | -63.3 | 77.4 | 172.2 | -99.3 | 144 | 0 | 0 | 0 | 109.4 | L4095 N4099 | L4095-L4097 VanDerWaalsContact C-N 3.31Å; L4095-L4097 PolarHBondContact O-N 3.28Å; L4097-N4099 PolarHBondContact O-N 2.82Å | ||
| 4098 | D | 27 | Very low | 29.3 | Very low | 109.667 Ų | 109.667 | 118 Ų | 118 | 59% | 0.586 | 64% | 0.635 | S | S | * | * | trans | -101.6 | 120 | 160.1 | -91.9 | -35.9 | 0 | 0 | 0 | 109.1 | S4096 D4100 E4144 Y4275 Q4279 | S4096-D4098 PolarHBondContact O-N 2.87Å; D4098-D4100 PolarHBondContact O-N 3.19Å; D4098-E4144 WeakPolarHBondContact CB-OE1 3.1Å; D4098-E4144 WeakPolarHBondContact OD2-CG 3.3Å; D4098-Y4275 PolarHBondContact OD1-OH 3.11Å; D4098-Q4279 PolarHBondContact OD2-NE2 3.22Å | ||
| 4099 | N | 29.7 | Very low | 28.6 | Very low | 116.333 Ų | 116.333 | 120.7 Ų | 120.7 | 62% | 0.622 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 4.4 | 70.6 | 166.5 | -70.8 | -35.1 | 0 | 0 | 0 | 117.9 | L4097 N4101 P4142 | L4097-N4099 PolarHBondContact O-N 2.82Å; N4099-N4101 PolarHBondContact O-N 3.42Å; N4099-P4142 HydrophobicContact CB-CG 4.42Å; N4099-P4142 WeakPolarHBondContact ND2-CB 3.36Å |
| 4100 | D | 28.2 | Very low | 27.8 | Very low | 152.333 Ų | 152.333 | 125.6 Ų | 125.6 | 82% | 0.815 | 68% | 0.681 | S | S | * | * | trans | -110.6 | 95.7 | 146 | -78.4 | -27.4 | 0 | 0 | 0 | 110.2 | D4098 S4102 | D4098-D4100 PolarHBondContact O-N 3.19Å; D4100-S4102 PolarHBondContact O-N 3.16Å | ||
| 4101 | N | 27.2 | Very low | 27.1 | Very low | 139.667 Ų | 139.667 | 126.4 Ų | 126.4 | 75% | 0.747 | 70% | 0.699 | S | S | * | * | trans | -172.2 | 77 | 168.8 | -75.9 | -32.5 | 0 | 0 | 0 | 113.2 | N4099 K4103 | N4099-N4101 PolarHBondContact O-N 3.42Å; N4101-K4103 PolarHBondContact O-N 3.44Å | ||
| 4102 | S | 26.6 | Very low | 26.5 | Very low | 95.6667 Ų | 95.6667 | 131.6 Ų | 131.6 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | trans | -123.6 | 103.1 | 153.3 | 59.6 | 0 | 0 | 0 | 0 | 111.7 | D4100 I4104 | D4100-S4102 PolarHBondContact O-N 3.16Å; S4102-I4104 VanDerWaalsContact C-N 3.27Å; S4102-I4104 PolarHBondContact O-N 3.3Å | ||
| 4103 | K | 24.9 | Very low | 26.3 | Very low | 200.333 Ų | 200.333 | 134.3 Ų | 134.3 | 87% | 0.871 | 73% | 0.734 | S | S | * | * | trans | -131.2 | 86 | 155.2 | -83.2 | 171.2 | -176 | 175.4 | 0 | 108.6 | N4101 C4105 | N4101-K4103 PolarHBondContact O-N 3.44Å; K4103-C4105 PolarHBondContact O-N 2.93Å | ||
| 4104 | I | 24.2 | Very low | 25.9 | Very low | 156.667 Ų | 156.667 | 134.8 Ų | 134.8 | 80% | 0.803 | 75% | 0.745 | S | S | * | * | trans | -59.9 | 117.6 | 165.9 | -64 | 171.8 | 0 | 0 | 0 | 106.9 | S4102 S4106 | S4102-I4104 VanDerWaalsContact C-N 3.27Å; S4102-I4104 PolarHBondContact O-N 3.3Å; I4104-S4106 PolarHBondContact O-N 2.98Å | ||
| 4105 | C | 23.5 | Very low | 25.5 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 75% | 0.75 | 75% | 0.751 | S | S | * | * | trans | -59.5 | 109.7 | 175.8 | -94.1 | 0 | 0 | 0 | 0 | 109.9 | K4103 L4107 | K4103-C4105 PolarHBondContact O-N 2.93Å; C4105-L4107 PolarHBondContact O-N 2.95Å; C4105-L4107 VanDerWaalsContact O-N 3.09Å | ||
| 4106 | S | 22.8 | Very low | 25.3 | Very low | 109.667 Ų | 109.667 | 136.9 Ų | 136.9 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | trans | -70.6 | 101.1 | 169 | 55.3 | 0 | 0 | 0 | 0 | 109.3 | I4104 K4108 | I4104-S4106 PolarHBondContact O-N 2.98Å; S4106-K4108 VanDerWaalsContact C-N 3.28Å; S4106-K4108 PolarHBondContact O-N 2.9Å | ||
| 4107 | L | 23.9 | Very low | 25.1 | Very low | 166.667 Ų | 166.667 | 142.5 Ų | 142.5 | 87% | 0.873 | 78% | 0.78 | S | S | * | * | trans | -60.7 | 114.6 | 166.5 | -91.3 | 149.6 | 0 | 0 | 0 | 108.9 | C4105 S4109 | C4105-L4107 PolarHBondContact O-N 2.95Å; C4105-L4107 VanDerWaalsContact O-N 3.09Å; L4107-S4109 VanDerWaalsContact C-N 3.31Å; L4107-S4109 PolarHBondContact O-N 3.43Å | ||
| 4108 | K | 22.4 | Very low | 25.2 | Very low | 190 Ų | 190 | 142.6 Ų | 142.6 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | -59.2 | 104.3 | 175.1 | -78.8 | 176.8 | 173 | 176.3 | 0 | 110.4 | S4106 N4110 | S4106-K4108 VanDerWaalsContact C-N 3.28Å; S4106-K4108 PolarHBondContact O-N 2.9Å; K4108-N4110 PolarHBondContact O-N 3.19Å | ||
| 4109 | S | 22.7 | Very low | 25.1 | Very low | 113.333 Ų | 113.333 | 144.6 Ų | 144.6 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | trans | -79.3 | 102 | 158 | 50.2 | 0 | 0 | 0 | 0 | 108.9 | L4107 S4111 | L4107-S4109 VanDerWaalsContact C-N 3.31Å; L4107-S4109 PolarHBondContact O-N 3.43Å; S4109-S4111 PolarHBondContact O-N 3.32Å | ||
| 4110 | N | 22.9 | Very low | 25 | Very low | 153.333 Ų | 153.333 | 147.3 Ų | 147.3 | 82% | 0.82 | 80% | 0.799 | S | S | * | * | trans | -64.9 | 112.3 | 171.5 | -77.2 | -15.4 | 0 | 0 | 0 | 109.4 | K4108 | K4108-N4110 PolarHBondContact O-N 3.19Š| ||
| 4111 | S | 25.3 | Very low | 24.9 | Very low | 114.667 Ų | 114.667 | 146.9 Ų | 146.9 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -77.8 | 124.3 | 174 | 51.7 | 0 | 0 | 0 | 0 | 110.3 | S4109 E4113 | S4109-S4111 PolarHBondContact O-N 3.32Å; S4111-E4113 PolarHBondContact O-N 2.9Å | ||
| 4112 | M | 23.2 | Very low | 24.8 | Very low | 175.667 Ų | 175.667 | 148.6 Ų | 148.6 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | trans | -83.1 | 119.1 | 170.9 | -116.6 | 180 | 155.6 | 0 | 0 | 110.4 | ||||
| 4113 | E | 25.9 | Very low | 24.8 | Very low | 170.333 Ų | 170.333 | 149.1 Ų | 149.1 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | 30.6 | 100.5 | 145.6 | -68.2 | -178.5 | 166.3 | 0 | 0 | 115.7 | S4111 | S4111-E4113 PolarHBondContact O-N 2.9Š| ||
| 4114 | S | 25.7 | Very low | 24.8 | Very low | 111.667 Ų | 111.667 | 146.4 Ų | 146.4 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | trans | -88.1 | 107.3 | 147.2 | 48.9 | 0 | 0 | 0 | 0 | 113.6 | N4116 | S4114-N4116 PolarHBondContact O-N 3.07Š| ||
| 4115 | T | 24.9 | Very low | 24.9 | Very low | 125 Ų | 125 | 145 Ų | 145 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | trans | -60.8 | 111.5 | 154.1 | 43.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 4116 | N | 25 | Very low | 25.2 | Very low | 148.667 Ų | 148.667 | 147 Ų | 147 | 80% | 0.795 | 79% | 0.791 | S | S | * | * | trans | -170.7 | 101.3 | 151.9 | -77.5 | -16.8 | 0 | 0 | 0 | 112.3 | S4114 I4118 | S4114-N4116 PolarHBondContact O-N 3.07Å; N4116-I4118 PolarHBondContact O-N 3.19Å | ||
| 4117 | E | 24.4 | Very low | 25.4 | Very low | 182 Ų | 182 | 145.8 Ų | 145.8 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -31.7 | 124.8 | 150.8 | -66.1 | 177.6 | 156.1 | 0 | 0 | 112.8 | ||||
| 4118 | I | 28.1 | Very low | 25.5 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | -176.8 | 113.2 | 139.1 | -67 | 167.3 | 0 | 0 | 0 | 111 | N4116 | N4116-I4118 PolarHBondContact O-N 3.19Š| ||
| 4119 | D | 26.6 | Very low | 25.9 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | trans | -107.6 | 136.6 | 142.8 | -87.7 | -28.3 | 0 | 0 | 0 | 117.3 | ||||
| 4120 | E | 26 | Very low | 26.2 | Very low | 174 Ų | 174 | 139.9 Ų | 139.9 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | trans | -49.7 | 136.3 | 162.6 | -59.2 | 178.2 | 146.2 | 0 | 0 | 113.2 | ||||
| 4121 | N | 26.1 | Very low | 26.5 | Very low | 143.333 Ų | 143.333 | 138 Ų | 138 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | trans | -168.9 | 121.5 | 130.8 | -97 | -53.7 | 0 | 0 | 0 | 113.2 | ||||
| 4122 | K | 25.4 | Very low | 26.4 | Very low | 175.333 Ų | 175.333 | 138.4 Ų | 138.4 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | trans | 60.3 | 102.8 | 144.7 | -65.8 | 175.5 | -176.6 | 176.3 | 0 | 119.3 | D4124 | K4122-D4124 PolarHBondContact O-N 3.36Š| ||
| 4123 | S | 26.7 | Very low | 26.5 | Very low | 106.333 Ų | 106.333 | 137.9 Ų | 137.9 | 74% | 0.744 | 73% | 0.732 | S | S | * | * | 0.7 | 111.8 | 127.8 | 57.7 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 4124 | D | 24.9 | Very low | 26.4 | Very low | 143.667 Ų | 143.667 | 134.2 Ų | 134.2 | 77% | 0.768 | 73% | 0.725 | S | S | * | * | trans | -145.5 | 127.2 | 141.6 | -90.5 | -32.9 | 0 | 0 | 0 | 110.4 | K4122 I4126 | K4122-D4124 PolarHBondContact O-N 3.36Å; D4124-I4126 PolarHBondContact O-N 3.09Å; D4124-I4126 VanDerWaalsContact O-N 3.17Å | ||
| 4125 | I | 27.6 | Very low | 26.3 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 66% | 0.656 | 72% | 0.722 | S | S | * | * | trans | 45.3 | 94.4 | 163.5 | -55.8 | 159.4 | 0 | 0 | 0 | 114.6 | S4127 D4128 | I4125-S4127 VanDerWaalsContact C-N 3.34Å; I4125-S4127 VanDerWaalsContact CG2-OG 3.24Å; I4125-S4127 WeakPolarHBondContact CG2-OG 3.31Å; I4125-D4128 HydrophobicContact CG2-CB 3.62Å; I4125-D4128 WeakPolarHBondContact CG2-OD1 3.32Å | ||
| 4126 | I | 27.9 | Very low | 26.3 | Very low | 152 Ų | 152 | 132.1 Ų | 132.1 | 78% | 0.779 | 71% | 0.714 | S | S | * | * | trans | -95.2 | 17.4 | 166.4 | -62.8 | 174.9 | 0 | 0 | 0 | 110.7 | D4124 D4128 | D4124-I4126 PolarHBondContact O-N 3.09Å; D4124-I4126 VanDerWaalsContact O-N 3.17Å; I4126-D4128 PolarHBondContact O-N 3.28Å | ||
| 4127 | S | 27 | Very low | 26.5 | Very low | 85 Ų | 85 | 133 Ų | 133 | 59% | 0.594 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -88.9 | 17.6 | -179.6 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | I4125 T4131 | I4125-S4127 VanDerWaalsContact C-N 3.34Å; I4125-S4127 VanDerWaalsContact CG2-OG 3.24Å; I4125-S4127 WeakPolarHBondContact CG2-OG 3.31Å; S4127-T4131 PolarHBondContact O-OG1 3.46Å |
| 4128 | D | 27.2 | Very low | 26.7 | Very low | 102.333 Ų | 102.333 | 130.9 Ų | 130.9 | 55% | 0.547 | 71% | 0.709 | S | S | . | * | G | 310 helix | trans | -125.2 | -1.9 | 179.7 | -79.9 | 1 | 0 | 0 | 0 | 114.5 | I4125 I4126 L4130 T4131 N4132 | I4125-D4128 HydrophobicContact CG2-CB 3.62Å; I4125-D4128 WeakPolarHBondContact CG2-OD1 3.32Å; I4126-D4128 PolarHBondContact O-N 3.28Å; D4128-L4130 PolarHBondContact O-N 3.26Å; D4128-T4131 WeakPolarHBondContact CA-OG1 3.43Å; D4128-N4132 PolarHBondContact O-N 3.03Å; D4128-N4132 PolarHBondContact O-ND2 3.15Å |
| 4129 | N | 30.3 | Very low | 26.9 | Very low | 129.333 Ų | 129.333 | 128.8 Ų | 128.8 | 69% | 0.692 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -4.3 | -178.6 | -75.5 | -12.9 | 0 | 0 | 0 | 115.1 | F4133 | N4129-F4133 WeakPolarHBondContact O-CD2 3.26Š|
| 4130 | L | 30.2 | Very low | 27.3 | Very low | 113.667 Ų | 113.667 | 124.8 Ų | 124.8 | 60% | 0.595 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -18.4 | 178.7 | -87.3 | 166.1 | 0 | 0 | 0 | 114 | D4128 | D4128-L4130 PolarHBondContact O-N 3.26Š|
| 4131 | T | 27.5 | Very low | 28 | Very low | 113 Ų | 113 | 121.7 Ų | 121.7 | 69% | 0.693 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -16.6 | -178.5 | 49.1 | 0 | 0 | 0 | 0 | 113.6 | S4127 D4128 | S4127-T4131 PolarHBondContact O-OG1 3.46Å; D4128-T4131 WeakPolarHBondContact CA-OG1 3.43Å |
| 4132 | N | 24 | Very low | 28.9 | Very low | 124.667 Ų | 124.667 | 116.9 Ų | 116.9 | 67% | 0.667 | 64% | 0.635 | S | S | * | * | trans | -111.3 | 51 | 179.7 | -71.6 | -34.8 | 0 | 0 | 0 | 112.8 | D4128 S4134 | D4128-N4132 PolarHBondContact O-N 3.03Å; D4128-N4132 PolarHBondContact O-ND2 3.15Å; N4132-S4134 VanDerWaalsContact C-N 3.31Å; N4132-S4134 PolarHBondContact O-N 3.28Å | ||
| 4133 | F | 25.1 | Very low | 29.9 | Very low | 164.667 Ų | 164.667 | 109.9 Ų | 109.9 | 72% | 0.722 | 61% | 0.605 | S | S | * | * | trans | -70.8 | 103.2 | 154 | -89.1 | -81.2 | 0 | 0 | 0 | 107.4 | N4129 S4135 | N4129-F4133 WeakPolarHBondContact O-CD2 3.26Å; F4133-S4135 PolarHBondContact O-N 3.3Å; F4133-S4135 VanDerWaalsContact O-N 3.11Å | ||
| 4134 | S | 23.6 | Very low | 31 | Very low | 93 Ų | 93 | 109 Ų | 109 | 65% | 0.65 | 59% | 0.589 | S | S | * | * | trans | -48.9 | 123 | 173.3 | 51.5 | 0 | 0 | 0 | 0 | 108.8 | N4132 C4136 | N4132-S4134 VanDerWaalsContact C-N 3.31Å; N4132-S4134 PolarHBondContact O-N 3.28Å; S4134-C4136 PolarHBondContact O-N 3.15Å; S4134-C4136 PolarHBondContact O-SG 2.96Å | ||
| 4135 | S | 24.1 | Very low | 32.4 | Very low | 100.667 Ų | 100.667 | 104.6 Ų | 104.6 | 70% | 0.704 | 57% | 0.566 | S | S | * | * | trans | -28.5 | 90.6 | 167.3 | 52.3 | 0 | 0 | 0 | 0 | 111.5 | F4133 E4137 | F4133-S4135 PolarHBondContact O-N 3.3Å; F4133-S4135 VanDerWaalsContact O-N 3.11Å; S4135-E4137 PolarHBondContact O-N 3.1Å | ||
| 4136 | C | 25.5 | Very low | 33.9 | Very low | 91.3333 Ų | 91.3333 | 98.8 Ų | 98.8 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | trans | -73.3 | 82.9 | 167.9 | -73.1 | 0 | 0 | 0 | 0 | 106.8 | S4134 D4138 L4139 | S4134-C4136 PolarHBondContact O-N 3.15Å; S4134-C4136 PolarHBondContact O-SG 2.96Å; C4136-D4138 PolarHBondContact O-N 2.88Å; C4136-L4139 HydrophobicContact CB-CD1 4.5Å; C4136-L4139 PolarHBondContact O-N 3.37Å | ||
| 4137 | E | 27.4 | Very low | 35.4 | Very low | 168.333 Ų | 168.333 | 96.3 Ų | 96.3 | 79% | 0.787 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 107.7 | 167.8 | -68.7 | -180 | 147.3 | 0 | 0 | 110 | S4135 L4139 | S4135-E4137 PolarHBondContact O-N 3.1Å; E4137-L4139 PolarHBondContact O-N 3.03Å |
| 4138 | D | 30.4 | Very low | 37.1 | Very low | 137.333 Ų | 137.333 | 95.6 Ų | 95.6 | 73% | 0.734 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.4 | 30.8 | 174.8 | -63.7 | -35 | 0 | 0 | 0 | 118.6 | C4136 Q4265 | C4136-D4138 PolarHBondContact O-N 2.88Å; D4138-Q4265 PolarHBondContact OD1-NE2 2.9Å |
| 4139 | L | 30.7 | Very low | 39 | Very low | 107.333 Ų | 107.333 | 91.8 Ų | 91.8 | 56% | 0.562 | 49% | 0.49 | S | S | * | . | trans | -125.7 | 91.8 | 168.6 | -78.1 | 161.9 | 0 | 0 | 0 | 112.6 | C4136 E4137 Y4141 | C4136-L4139 HydrophobicContact CB-CD1 4.5Å; C4136-L4139 PolarHBondContact O-N 3.37Å; E4137-L4139 PolarHBondContact O-N 3.03Å; L4139-Y4141 VanDerWaalsContact C-N 3.29Å; L4139-Y4141 HydrophobicContact CB-CD2 4.12Å; L4139-Y4141 HydrophobicContact CB-CE2 3.77Å; L4139-Y4141 HydrophobicContact CD1-CE2 4.41Å; L4139-Y4141 VanDerWaalsContact CD1-OH 3.31Å; L4139-Y4141 WeakPolarHBondContact CD1-OH 3.48Å; L4139-Y4141 HydrophobicContact CD2-CE1 4.43Å; L4139-Y4141 HydrophobicContact CG-CE2 4.42Å; L4139-Y4141 PolarHBondContact O-N 2.94Å | ||
| 4140 | L | 35.1 | Very low | 40.5 | Very low | 68.3333 Ų | 68.3333 | 86.9 Ų | 86.9 | 36% | 0.358 | 46% | 0.463 | S | S | . | . | trans | -72.6 | 105.4 | 159.1 | -80 | 156.1 | 0 | 0 | 0 | 108 | Q4268 Q4269 Y4272 | L4140-Q4268 HydrophobicContact CD1-CB 3.95Å; L4140-Q4269 HydrophobicContact CD1-CG 3.87Å; L4140-Y4272 HydrophobicContact CB-CD2 3.89Å; L4140-Y4272 HydrophobicContact CB-CE2 3.98Å; L4140-Y4272 VanDerWaalsContact CB-CE2 3.47Å; L4140-Y4272 HydrophobicContact CD1-CD2 4.29Å; L4140-Y4272 HydrophobicContact CD1-CE2 4.12Å; L4140-Y4272 HydrophobicContact CD2-CE2 4.47Å; L4140-Y4272 HydrophobicContact CG-CE2 4.49Å; L4140-Y4272 WeakPolarHBondContact O-CE2 3.27Å; L4140-Y4272 VanDerWaalsContact O-CZ 3.29Å; L4140-Y4272 PolarHBondContact O-OH 3.36Å | ||
| 4141 | Y | 41.4 | Very low | 42.2 | Very low | 108.667 Ų | 108.667 | 86 Ų | 86 | 43% | 0.426 | 46% | 0.459 | S | S | . | . | trans | -71.3 | 135.3 | 177.6 | -85.9 | -92.4 | 0 | 0 | 0 | 110.7 | L4139 M4143 I4176 D4179 | L4139-Y4141 VanDerWaalsContact C-N 3.29Å; L4139-Y4141 HydrophobicContact CB-CD2 4.12Å; L4139-Y4141 HydrophobicContact CB-CE2 3.77Å; L4139-Y4141 HydrophobicContact CD1-CE2 4.41Å; L4139-Y4141 VanDerWaalsContact CD1-OH 3.31Å; L4139-Y4141 WeakPolarHBondContact CD1-OH 3.48Å; L4139-Y4141 HydrophobicContact CD2-CE1 4.43Å; L4139-Y4141 HydrophobicContact CG-CE2 4.42Å; L4139-Y4141 PolarHBondContact O-N 2.94Å; Y4141-M4143 PolarHBondContact O-N 2.84Å; Y4141-M4143 VanDerWaalsContact O-N 3.11Å; Y4141-I4176 HydrophobicContact CD1-CG2 3.85Å; Y4141-I4176 HydrophobicContact CE1-CG1 4.28Å; Y4141-I4176 HydrophobicContact CE1-CG2 3.95Å; Y4141-I4176 HydrophobicContact CG-CG2 4.17Å; Y4141-D4179 HydrophobicContact CD2-CB 4.44Å; Y4141-D4179 HydrophobicContact CE2-CB 3.95Å | ||
| 4142 | P | 44.3 | Very low | 44.1 | Very low | 42.3333 Ų | 42.3333 | 85.2 Ų | 85.2 | 28% | 0.275 | 44% | 0.443 | S | S | . | . | trans | -61.7 | 132.9 | 175 | 25.3 | -32.8 | 0 | 0 | 0 | 110.8 | N4099 E4144 D4145 V4146 Y4272 | N4099-P4142 HydrophobicContact CB-CG 4.42Å; N4099-P4142 WeakPolarHBondContact ND2-CB 3.36Å; P4142-E4144 HydrophobicContact CB-CB 4.19Å; P4142-E4144 HydrophobicContact CB-CG 3.88Å; P4142-E4144 WeakPolarHBondContact CB-OE2 3.35Å; P4142-E4144 VanDerWaalsContact CG-OE2 3.29Å; P4142-E4144 WeakPolarHBondContact CG-OE2 3.27Å; P4142-E4144 PolarHBondContact O-N 2.95Å; P4142-D4145 VanDerWaalsContact CD-OD2 3.23Å; P4142-D4145 WeakPolarHBondContact CD-OD2 3.21Å; P4142-D4145 HydrophobicContact CG-CB 4.47Å; P4142-D4145 VanDerWaalsContact CG-OD2 3.24Å; P4142-D4145 WeakPolarHBondContact CG-OD2 3.49Å; P4142-D4145 WeakPolarHBondContact O-CB 3.45Å; P4142-D4145 PolarHBondContact O-N 2.73Å; P4142-V4146 PolarHBondContact O-N 3.46Å; P4142-Y4272 HydrophobicContact CB-CE1 4.09Å | ||
| 4143 | M | 46.6 | Very low | 46.3 | Very low | 27.3333 Ų | 27.3333 | 79.3 Ų | 79.3 | 14% | 0.135 | 41% | 0.411 | C | S | . | . | trans | -67.6 | 24.8 | 175.1 | -76.6 | -76.8 | -102.4 | 0 | 0 | 111.6 | Y4141 D4145 V4146 R4147 A4180 A4239 N4240 L4243 L4276 | Y4141-M4143 PolarHBondContact O-N 2.84Å; Y4141-M4143 VanDerWaalsContact O-N 3.11Å; M4143-D4145 PolarHBondContact O-N 3.13Å; M4143-V4146 PolarHBondContact O-N 3.06Å; M4143-V4146 HydrophobicContact SD-CG2 4.15Å; M4143-R4147 PolarHBondContact O-N 2.72Å; M4143-A4180 HydrophobicContact CE-CB 4.26Å; M4143-A4180 WeakPolarHBondContact CE-O 3.25Å; M4143-A4180 HydrophobicContact SD-CB 3.9Å; M4143-A4239 HydrophobicContact CE-CB 3.77Å; M4143-N4240 VanDerWaalsContact CE-OD1 3.23Å; M4143-N4240 WeakPolarHBondContact CE-OD1 3.39Å; M4143-N4240 VanDerWaalsContact CG-OD1 3.29Å; M4143-N4240 WeakPolarHBondContact CG-OD1 3.41Å; M4143-N4240 PolarHBondContact SD-OD1 2.87Å; M4143-L4243 HydrophobicContact CB-CD1 3.95Å; M4143-L4243 HydrophobicContact CG-CD1 3.76Å; M4143-L4276 HydrophobicContact CB-CD1 3.95Å; M4143-L4276 WeakPolarHBondContact O-CD1 3.32Å | ||
| 4144 | E | 49.1 | Very low | 48.4 | Very low | 87 Ų | 87 | 74.2 Ų | 74.2 | 41% | 0.407 | 39% | 0.392 | S | S | . | . | trans | -66.3 | -12 | 177.7 | -75.3 | 175.1 | 174.8 | 0 | 0 | 112.4 | D4098 P4142 V4146 P4148 N4240 Y4275 | D4098-E4144 WeakPolarHBondContact CB-OE1 3.1Å; D4098-E4144 WeakPolarHBondContact OD2-CG 3.3Å; P4142-E4144 HydrophobicContact CB-CB 4.19Å; P4142-E4144 HydrophobicContact CB-CG 3.88Å; P4142-E4144 WeakPolarHBondContact CB-OE2 3.35Å; P4142-E4144 VanDerWaalsContact CG-OE2 3.29Å; P4142-E4144 WeakPolarHBondContact CG-OE2 3.27Å; P4142-E4144 PolarHBondContact O-N 2.95Å; E4144-V4146 WeakPolarHBondContact O-CG2 3.49Å; E4144-V4146 PolarHBondContact O-N 2.74Å; E4144-P4148 WeakPolarHBondContact O-CD 3.4Å; E4144-P4148 WeakPolarHBondContact O-CG 3.34Å; E4144-N4240 PolarHBondContact O-ND2 2.69Å; E4144-Y4275 HydrophobicContact CG-CE1 4.29Å; E4144-Y4275 WeakPolarHBondContact OE1-CE1 3.4Å; E4144-Y4275 PolarHBondContact OE1-OH 2.95Å | ||
| 4145 | D | 55.5 | Low | 50.7 | Low | 52.6667 Ų | 52.6667 | 76.3 Ų | 76.3 | 28% | 0.282 | 39% | 0.391 | S | S | . | . | trans | -93.9 | 15.6 | 179.2 | -99.7 | -15.4 | 0 | 0 | 0 | 112.6 | P4142 M4143 R4147 P4148 E4149 I4176 Q4279 | P4142-D4145 VanDerWaalsContact CD-OD2 3.23Å; P4142-D4145 WeakPolarHBondContact CD-OD2 3.21Å; P4142-D4145 HydrophobicContact CG-CB 4.47Å; P4142-D4145 VanDerWaalsContact CG-OD2 3.24Å; P4142-D4145 WeakPolarHBondContact CG-OD2 3.49Å; P4142-D4145 WeakPolarHBondContact O-CB 3.45Å; P4142-D4145 PolarHBondContact O-N 2.73Å; M4143-D4145 PolarHBondContact O-N 3.13Å; D4145-R4147 VanDerWaalsContact C-N 3.33Å; D4145-R4147 VanDerWaalsContact CG-NE 3.28Å; D4145-R4147 PolarHBondContact O-N 3.1Å; D4145-R4147 WeakPolarHBondContact OD1-CB 3.35Å; D4145-R4147 WeakPolarHBondContact OD1-CG 3.44Å; D4145-R4147 IonicContact OD1-CZ 3.45Å; D4145-R4147 PolarHBondContact OD1-N 3.43Å; D4145-R4147 VanDerWaalsContact OD1-N 3.13Å; D4145-R4147 IonicContact OD1-NE 3Å; D4145-R4147 PolarHBondContact OD1-NE 3.01Å; D4145-R4147 IonicContact OD2-CZ 2.82Å; D4145-R4147 IonicContact OD2-NE 2.68Å; D4145-R4147 PolarHBondContact OD2-NE 3.35Å; D4145-R4147 IonicContact OD2-NH2 3.5Å; D4145-R4147 PolarHBondContact OD2-NH2 2.69Å; D4145-P4148 WeakPolarHBondContact O-CD 3.46Å; D4145-E4149 HydrophobicContact CB-CG 3.88Å; D4145-E4149 WeakPolarHBondContact O-CB 3.25Å; D4145-E4149 WeakPolarHBondContact O-CG 3.25Å; D4145-E4149 PolarHBondContact O-N 2.98Å; D4145-I4176 HydrophobicContact CB-CG2 4.43Å; D4145-Q4279 HydrophobicContact CB-CB 4.12Å | ||
| 4146 | V | 59.1 | Low | 52.9 | Low | 6.33333 Ų | 6.33333 | 72.5 Ų | 72.5 | 4% | 0.038 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.9 | -33.9 | -175 | -178 | 0 | 0 | 0 | 0 | 112.4 | P4142 M4143 E4144 P4148 E4149 I4150 L4177 A4180 A4236 | P4142-V4146 PolarHBondContact O-N 3.46Å; M4143-V4146 PolarHBondContact O-N 3.06Å; M4143-V4146 HydrophobicContact SD-CG2 4.15Å; E4144-V4146 WeakPolarHBondContact O-CG2 3.49Å; E4144-V4146 PolarHBondContact O-N 2.74Å; V4146-P4148 VanDerWaalsContact C-CD 3.49Å; V4146-E4149 PolarHBondContact O-N 3.21Å; V4146-I4150 HydrophobicContact CG1-CD1 3.82Å; V4146-I4150 HydrophobicContact CG1-CG1 4.26Å; V4146-I4150 WeakPolarHBondContact O-CB 3.18Å; V4146-I4150 WeakPolarHBondContact O-CD1 3.36Å; V4146-I4150 WeakPolarHBondContact O-CG1 3.35Å; V4146-I4150 PolarHBondContact O-N 3.16Å; V4146-L4177 HydrophobicContact CB-CD2 4.42Å; V4146-L4177 HydrophobicContact CG1-CD2 3.58Å; V4146-A4180 HydrophobicContact CG2-CB 4.23Å; V4146-A4236 HydrophobicContact CB-CB 4.44Å; V4146-A4236 HydrophobicContact CG1-CB 3.8Å; V4146-A4236 HydrophobicContact CG2-CB 4Å |
| 4147 | R | 59.8 | Low | 55 | Low | 99.3333 Ų | 99.3333 | 68.2 Ų | 68.2 | 38% | 0.375 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.1 | -46.8 | -178.5 | -108.6 | 180 | -88.3 | 170.9 | 4.5 | 113.2 | M4143 D4145 E4149 I4150 N4151 L4237 I4280 L4341 | M4143-R4147 PolarHBondContact O-N 2.72Å; D4145-R4147 VanDerWaalsContact C-N 3.33Å; D4145-R4147 VanDerWaalsContact CG-NE 3.28Å; D4145-R4147 PolarHBondContact O-N 3.1Å; D4145-R4147 WeakPolarHBondContact OD1-CB 3.35Å; D4145-R4147 WeakPolarHBondContact OD1-CG 3.44Å; D4145-R4147 IonicContact OD1-CZ 3.45Å; D4145-R4147 PolarHBondContact OD1-N 3.43Å; D4145-R4147 VanDerWaalsContact OD1-N 3.13Å; D4145-R4147 IonicContact OD1-NE 3Å; D4145-R4147 PolarHBondContact OD1-NE 3.01Å; D4145-R4147 IonicContact OD2-CZ 2.82Å; D4145-R4147 IonicContact OD2-NE 2.68Å; D4145-R4147 PolarHBondContact OD2-NE 3.35Å; D4145-R4147 IonicContact OD2-NH2 3.5Å; D4145-R4147 PolarHBondContact OD2-NH2 2.69Å; R4147-E4149 VanDerWaalsContact C-N 3.28Å; R4147-E4149 PolarHBondContact O-N 2.76Å; R4147-I4150 PolarHBondContact O-N 2.93Å; R4147-N4151 WeakPolarHBondContact O-CB 3.39Å; R4147-N4151 VanDerWaalsContact O-CG 3.24Å; R4147-N4151 PolarHBondContact O-N 3.19Å; R4147-N4151 PolarHBondContact O-ND2 3.17Å; R4147-L4237 HydrophobicContact CG-CD2 4.12Å; R4147-I4280 PolarHBondContact NH2-O 2.97Å; R4147-L4341 HydrophobicContact CG-CD1 3.97Å |
| 4148 | P | 63.1 | Low | 56.9 | Low | 70 Ų | 70 | 62.7 Ų | 62.7 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.7 | -40.5 | 174.1 | -24.8 | 36.6 | 0 | 0 | 0 | 112.2 | E4144 D4145 V4146 N4151 R4152 | E4144-P4148 WeakPolarHBondContact O-CD 3.4Å; E4144-P4148 WeakPolarHBondContact O-CG 3.34Å; D4145-P4148 WeakPolarHBondContact O-CD 3.46Å; V4146-P4148 VanDerWaalsContact C-CD 3.49Å; P4148-N4151 CarbonylContact O-C 3.59Å; P4148-N4151 PolarHBondContact O-N 3.1Å; P4148-R4152 WeakPolarHBondContact O-CA 3.33Å; P4148-R4152 VanDerWaalsContact O-CB 3.27Å; P4148-R4152 WeakPolarHBondContact O-CB 3.25Å; P4148-R4152 PolarHBondContact O-N 3.1Å |
| 4149 | E | 65.3 | Low | 58.6 | Low | 23 Ų | 23 | 58.8 Ų | 58.8 | 11% | 0.107 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71.3 | -38 | 179.4 | -71.5 | -62.4 | 149.3 | 0 | 0 | 112.4 | D4145 V4146 R4147 N4151 R4152 L4153 S4173 I4176 L4177 | D4145-E4149 HydrophobicContact CB-CG 3.88Å; D4145-E4149 WeakPolarHBondContact O-CB 3.25Å; D4145-E4149 WeakPolarHBondContact O-CG 3.25Å; D4145-E4149 PolarHBondContact O-N 2.98Å; V4146-E4149 PolarHBondContact O-N 3.21Å; R4147-E4149 VanDerWaalsContact C-N 3.28Å; R4147-E4149 PolarHBondContact O-N 2.76Å; E4149-N4151 VanDerWaalsContact C-N 3.33Å; E4149-N4151 PolarHBondContact O-N 3.45Å; E4149-R4152 PolarHBondContact O-N 2.95Å; E4149-R4152 WeakPolarHBondContact OE1-CD 3.32Å; E4149-R4152 IonicContact OE1-CZ 3.15Å; E4149-R4152 VanDerWaalsContact OE1-CZ 3.31Å; E4149-R4152 IonicContact OE1-NE 3.54Å; E4149-R4152 IonicContact OE1-NH1 3.21Å; E4149-R4152 PolarHBondContact OE1-NH1 2.95Å; E4149-R4152 VanDerWaalsContact OE1-NH1 3.08Å; E4149-R4152 IonicContact OE1-NH2 3.19Å; E4149-R4152 IonicContact OE2-CZ 2.6Å; E4149-R4152 IonicContact OE2-NE 2.71Å; E4149-R4152 PolarHBondContact OE2-NE 3.02Å; E4149-R4152 VanDerWaalsContact OE2-NE 3.16Å; E4149-R4152 IonicContact OE2-NH1 3.21Å; E4149-R4152 IonicContact OE2-NH2 2.78Å; E4149-R4152 PolarHBondContact OE2-NH2 3.45Å; E4149-L4153 WeakPolarHBondContact O-CB 3.27Å; E4149-L4153 PolarHBondContact O-N 3.21Å; E4149-S4173 WeakPolarHBondContact OE2-CA 3.31Å; E4149-S4173 WeakPolarHBondContact OE2-CB 3.35Å; E4149-S4173 PolarHBondContact OE2-OG 2.98Å; E4149-I4176 HydrophobicContact CG-CD1 4.26Å; E4149-I4176 HydrophobicContact CG-CG2 4.26Å; E4149-L4177 HydrophobicContact CB-CD2 4.5Å |
| 4150 | I | 62.9 | Low | 60.1 | Low | 26 Ų | 26 | 59.3 Ų | 59.3 | 13% | 0.133 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 169.3 | -70.7 | 164.7 | 0 | 0 | 0 | 110.7 | V4146 R4147 L4153 N4154 L4177 L4237 Y4343 | V4146-I4150 HydrophobicContact CG1-CD1 3.82Å; V4146-I4150 HydrophobicContact CG1-CG1 4.26Å; V4146-I4150 WeakPolarHBondContact O-CB 3.18Å; V4146-I4150 WeakPolarHBondContact O-CD1 3.36Å; V4146-I4150 WeakPolarHBondContact O-CG1 3.35Å; V4146-I4150 PolarHBondContact O-N 3.16Å; R4147-I4150 PolarHBondContact O-N 2.93Å; I4150-L4153 PolarHBondContact O-N 3Å; I4150-N4154 VanDerWaalsContact O-CB 3.28Å; I4150-N4154 WeakPolarHBondContact O-CB 3.33Å; I4150-N4154 VanDerWaalsContact O-CG 3.22Å; I4150-N4154 PolarHBondContact O-N 3.13Å; I4150-N4154 PolarHBondContact O-ND2 3.22Å; I4150-L4177 HydrophobicContact CD1-CD2 4.44Å; I4150-L4177 HydrophobicContact CG1-CD1 4.11Å; I4150-L4177 HydrophobicContact CG1-CD2 3.97Å; I4150-L4237 HydrophobicContact CD1-CD1 3.69Å; I4150-L4237 HydrophobicContact CD1-CG 3.89Å; I4150-Y4343 HydrophobicContact CG2-CE1 4.36Å; I4150-Y4343 VanDerWaalsContact CG2-OH 3.22Å; I4150-Y4343 WeakPolarHBondContact CG2-OH 3.48Å |
| 4151 | N | 65.2 | Low | 61.7 | Low | 95 Ų | 95 | 58.7 Ų | 58.7 | 51% | 0.508 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.3 | -43.4 | 179.8 | -73.6 | -20 | 0 | 0 | 0 | 111.7 | R4147 P4148 E4149 L4153 N4154 H4155 | R4147-N4151 WeakPolarHBondContact O-CB 3.39Å; R4147-N4151 VanDerWaalsContact O-CG 3.24Å; R4147-N4151 PolarHBondContact O-N 3.19Å; R4147-N4151 PolarHBondContact O-ND2 3.17Å; P4148-N4151 CarbonylContact O-C 3.59Å; P4148-N4151 PolarHBondContact O-N 3.1Å; E4149-N4151 VanDerWaalsContact C-N 3.33Å; E4149-N4151 PolarHBondContact O-N 3.45Å; N4151-L4153 VanDerWaalsContact C-N 3.34Å; N4151-L4153 PolarHBondContact O-N 3.25Å; N4151-N4154 PolarHBondContact O-N 3.28Å; N4151-H4155 VanDerWaalsContact O-CB 3.27Å; N4151-H4155 WeakPolarHBondContact O-CB 3.31Å; N4151-H4155 PolarHBondContact O-CD2 3.42Å; N4151-H4155 PolarHBondContact O-N 2.99Å |
| 4152 | R | 67.8 | Low | 63.2 | Low | 96.6667 Ų | 96.6667 | 53.6 Ų | 53.6 | 37% | 0.365 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 175.3 | -173.3 | 179.7 | 125.9 | 174.8 | 4.7 | 110.2 | P4148 E4149 H4155 L4156 A4169 S4173 | P4148-R4152 WeakPolarHBondContact O-CA 3.33Å; P4148-R4152 VanDerWaalsContact O-CB 3.27Å; P4148-R4152 WeakPolarHBondContact O-CB 3.25Å; P4148-R4152 PolarHBondContact O-N 3.1Å; E4149-R4152 PolarHBondContact O-N 2.95Å; E4149-R4152 WeakPolarHBondContact OE1-CD 3.32Å; E4149-R4152 IonicContact OE1-CZ 3.15Å; E4149-R4152 VanDerWaalsContact OE1-CZ 3.31Å; E4149-R4152 IonicContact OE1-NE 3.54Å; E4149-R4152 IonicContact OE1-NH1 3.21Å; E4149-R4152 PolarHBondContact OE1-NH1 2.95Å; E4149-R4152 VanDerWaalsContact OE1-NH1 3.08Å; E4149-R4152 IonicContact OE1-NH2 3.19Å; E4149-R4152 IonicContact OE2-CZ 2.6Å; E4149-R4152 IonicContact OE2-NE 2.71Å; E4149-R4152 PolarHBondContact OE2-NE 3.02Å; E4149-R4152 VanDerWaalsContact OE2-NE 3.16Å; E4149-R4152 IonicContact OE2-NH1 3.21Å; E4149-R4152 IonicContact OE2-NH2 2.78Å; E4149-R4152 PolarHBondContact OE2-NH2 3.45Å; R4152-H4155 PolarHBondContact O-N 2.96Å; R4152-L4156 HydrophobicContact CG-CD1 3.91Å; R4152-L4156 HydrophobicContact CG-CG 4.41Å; R4152-L4156 VanDerWaalsContact O-CB 3.32Å; R4152-L4156 WeakPolarHBondContact O-CB 3.17Å; R4152-L4156 VanDerWaalsContact O-CG 3.29Å; R4152-L4156 WeakPolarHBondContact O-CG 3.38Å; R4152-L4156 PolarHBondContact O-N 3.13Å; R4152-A4169 PolarHBondContact NH2-O 3.23Å; R4152-A4169 VanDerWaalsContact NH2-O 3.09Å; R4152-S4173 PolarHBondContact NE-OG 2.96Å; R4152-S4173 PolarHBondContact NH2-OG 3.22Å |
| 4153 | L | 71.2 | Confident | 64.9 | Low | 0.333333 Ų | 0.333333 | 55.5 Ų | 55.5 | 0% | 0.002 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 177.1 | -142.7 | 158.3 | 0 | 0 | 0 | 111.8 | E4149 I4150 N4151 H4155 L4156 L4157 I4170 S4173 I4174 L4177 S4229 | E4149-L4153 WeakPolarHBondContact O-CB 3.27Å; E4149-L4153 PolarHBondContact O-N 3.21Å; I4150-L4153 PolarHBondContact O-N 3Å; N4151-L4153 VanDerWaalsContact C-N 3.34Å; N4151-L4153 PolarHBondContact O-N 3.25Å; L4153-H4155 VanDerWaalsContact C-N 3.31Å; L4153-H4155 PolarHBondContact O-N 3.04Å; L4153-L4156 PolarHBondContact O-N 2.83Å; L4153-L4157 HydrophobicContact CD2-CD1 3.73Å; L4153-L4157 VanDerWaalsContact CD2-CD1 3.42Å; L4153-L4157 HydrophobicContact CD2-CG 3.95Å; L4153-L4157 HydrophobicContact CG-CD1 4.16Å; L4153-L4157 HydrophobicContact CG-CG 4.37Å; L4153-L4157 VanDerWaalsContact O-CB 3.28Å; L4153-L4157 WeakPolarHBondContact O-CB 3.27Å; L4153-L4157 VanDerWaalsContact O-CG 3.26Å; L4153-L4157 WeakPolarHBondContact O-CG 3.38Å; L4153-L4157 PolarHBondContact O-N 3.01Å; L4153-I4170 HydrophobicContact CD1-CG2 4.37Å; L4153-I4170 HydrophobicContact CD2-CB 4.24Å; L4153-I4170 HydrophobicContact CD2-CG1 4.34Å; L4153-I4170 HydrophobicContact CD2-CG2 3.86Å; L4153-I4170 HydrophobicContact CG-CG2 4.48Å; L4153-S4173 VanDerWaalsContact CD1-CB 3.44Å; L4153-S4173 VanDerWaalsContact CG-CB 3.42Å; L4153-I4174 HydrophobicContact CD1-CD1 4.33Å; L4153-I4174 HydrophobicContact CD1-CG1 3.79Å; L4153-I4174 VanDerWaalsContact CD1-CG1 3.46Å; L4153-I4174 HydrophobicContact CD2-CD1 4.44Å; L4153-I4174 HydrophobicContact CD2-CG1 4.09Å; L4153-L4177 HydrophobicContact CD1-CD1 3.78Å; L4153-L4177 HydrophobicContact CD1-CG 4.06Å; L4153-S4229 WeakPolarHBondContact CD2-OG 3.48Å |
| 4154 | N | 67.9 | Low | 66 | Low | 57 Ų | 57 | 55.1 Ų | 55.1 | 31% | 0.305 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.6 | -39 | 173.8 | -77.4 | -34.7 | 0 | 0 | 0 | 112 | I4150 N4151 A4158 | I4150-N4154 VanDerWaalsContact O-CB 3.28Å; I4150-N4154 WeakPolarHBondContact O-CB 3.33Å; I4150-N4154 VanDerWaalsContact O-CG 3.22Å; I4150-N4154 PolarHBondContact O-N 3.13Å; I4150-N4154 PolarHBondContact O-ND2 3.22Å; N4151-N4154 PolarHBondContact O-N 3.28Å; N4154-A4158 WeakPolarHBondContact O-CB 3.18Å; N4154-A4158 PolarHBondContact O-N 3.14Å; N4154-A4158 VanDerWaalsContact O-N 3.09Å |
| 4155 | H | 71.7 | Confident | 67.1 | Low | 136.667 Ų | 136.667 | 57.3 Ų | 57.3 | 63% | 0.633 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -70 | -46.8 | 177.9 | -136.9 | -6.8 | 0 | 0 | 0 | 111.8 | N4151 R4152 L4153 L4157 A4158 I4159 | N4151-H4155 VanDerWaalsContact O-CB 3.27Å; N4151-H4155 WeakPolarHBondContact O-CB 3.31Å; N4151-H4155 PolarHBondContact O-CD2 3.42Å; N4151-H4155 PolarHBondContact O-N 2.99Å; R4152-H4155 PolarHBondContact O-N 2.96Å; L4153-H4155 VanDerWaalsContact C-N 3.31Å; L4153-H4155 PolarHBondContact O-N 3.04Å; H4155-L4157 PolarHBondContact O-N 3.42Å; H4155-A4158 WeakPolarHBondContact O-CA 3.39Å; H4155-A4158 VanDerWaalsContact O-CB 3.27Å; H4155-A4158 WeakPolarHBondContact O-CB 3.35Å; H4155-A4158 PolarHBondContact O-N 3.23Å; H4155-I4159 WeakPolarHBondContact O-CG1 3.33Å; H4155-I4159 PolarHBondContact O-N 2.88Å |
| 4156 | L | 70.1 | Confident | 68.1 | Low | 21 Ų | 21 | 57.5 Ų | 57.5 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 176.5 | -69.3 | 171 | 0 | 0 | 0 | 111 | R4152 L4153 A4158 I4159 L4162 E4166 A4169 I4170 | R4152-L4156 HydrophobicContact CG-CD1 3.91Å; R4152-L4156 HydrophobicContact CG-CG 4.41Å; R4152-L4156 VanDerWaalsContact O-CB 3.32Å; R4152-L4156 WeakPolarHBondContact O-CB 3.17Å; R4152-L4156 VanDerWaalsContact O-CG 3.29Å; R4152-L4156 WeakPolarHBondContact O-CG 3.38Å; R4152-L4156 PolarHBondContact O-N 3.13Å; L4153-L4156 PolarHBondContact O-N 2.83Å; L4156-A4158 PolarHBondContact O-N 3.01Å; L4156-I4159 HydrophobicContact CD2-CD1 4.16Å; L4156-I4159 WeakPolarHBondContact O-CB 3.26Å; L4156-I4159 PolarHBondContact O-N 3.28Å; L4156-I4159 VanDerWaalsContact O-N 3.11Å; L4156-L4162 WeakPolarHBondContact O-CD2 3.34Å; L4156-E4166 HydrophobicContact CD2-CB 4.06Å; L4156-E4166 HydrophobicContact CD2-CG 4.31Å; L4156-A4169 HydrophobicContact CD1-CB 3.71Å; L4156-I4170 HydrophobicContact CB-CD1 4.08Å; L4156-I4170 HydrophobicContact CB-CG1 3.7Å; L4156-I4170 HydrophobicContact CD1-CG1 3.93Å; L4156-I4170 HydrophobicContact CG-CG1 4.42Å |
| 4157 | L | 69.9 | Low | 68.8 | Low | 2.33333 Ų | 2.33333 | 57.2 Ų | 57.2 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.6 | -14.1 | 174 | -68.3 | 177.7 | 0 | 0 | 0 | 112.9 | L4153 H4155 I4159 I4170 L4217 R4222 L4225 L4226 | L4153-L4157 HydrophobicContact CD2-CD1 3.73Å; L4153-L4157 VanDerWaalsContact CD2-CD1 3.42Å; L4153-L4157 HydrophobicContact CD2-CG 3.95Å; L4153-L4157 HydrophobicContact CG-CD1 4.16Å; L4153-L4157 HydrophobicContact CG-CG 4.37Å; L4153-L4157 VanDerWaalsContact O-CB 3.28Å; L4153-L4157 WeakPolarHBondContact O-CB 3.27Å; L4153-L4157 VanDerWaalsContact O-CG 3.26Å; L4153-L4157 WeakPolarHBondContact O-CG 3.38Å; L4153-L4157 PolarHBondContact O-N 3.01Å; H4155-L4157 PolarHBondContact O-N 3.42Å; L4157-I4159 VanDerWaalsContact C-N 3.35Å; L4157-I4170 HydrophobicContact CD2-CD1 4.05Å; L4157-I4170 HydrophobicContact CD2-CG2 4.49Å; L4157-L4217 HydrophobicContact CD2-CD1 4.28Å; L4157-R4222 WeakPolarHBondContact O-CD 3.33Å; L4157-R4222 PolarHBondContact O-NE 3.25Å; L4157-R4222 PolarHBondContact O-NH1 3.4Å; L4157-R4222 PolarHBondContact O-NH2 3.09Å; L4157-R4222 VanDerWaalsContact O-NH2 3.13Å; L4157-L4225 HydrophobicContact CD1-CB 4.28Å; L4157-L4225 HydrophobicContact CD2-CB 3.99Å; L4157-L4225 HydrophobicContact CD2-CD1 4.14Å; L4157-L4226 HydrophobicContact CB-CD1 4.32Å; L4157-L4226 HydrophobicContact CD1-CB 4.24Å; L4157-L4226 HydrophobicContact CD1-CD1 4Å |
| 4158 | A | 67.7 | Low | 69.5 | Low | 52.3333 Ų | 52.3333 | 55.1 Ų | 55.1 | 43% | 0.433 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -78.9 | -24.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N4154 H4155 L4156 R4222 | N4154-A4158 WeakPolarHBondContact O-CB 3.18Å; N4154-A4158 PolarHBondContact O-N 3.14Å; N4154-A4158 VanDerWaalsContact O-N 3.09Å; H4155-A4158 WeakPolarHBondContact O-CA 3.39Å; H4155-A4158 VanDerWaalsContact O-CB 3.27Å; H4155-A4158 WeakPolarHBondContact O-CB 3.35Å; H4155-A4158 PolarHBondContact O-N 3.23Å; L4156-A4158 PolarHBondContact O-N 3.01Å; A4158-R4222 VanDerWaalsContact CA-NH2 3.29Å; A4158-R4222 PolarHBondContact O-NH2 3.34Å |
| 4159 | I | 66.5 | Low | 70 | Confident | 56 Ų | 56 | 52.7 Ų | 52.7 | 29% | 0.287 | 28% | 0.283 | S | S | . | . | trans | -69.3 | 132.9 | -178.1 | -58.5 | 171.8 | 0 | 0 | 0 | 110.1 | H4155 L4156 L4157 S4161 L4162 | H4155-I4159 WeakPolarHBondContact O-CG1 3.33Å; H4155-I4159 PolarHBondContact O-N 2.88Å; L4156-I4159 HydrophobicContact CD2-CD1 4.16Å; L4156-I4159 WeakPolarHBondContact O-CB 3.26Å; L4156-I4159 PolarHBondContact O-N 3.28Å; L4156-I4159 VanDerWaalsContact O-N 3.11Å; L4157-I4159 VanDerWaalsContact C-N 3.35Å; I4159-S4161 VanDerWaalsContact CG2-O 3.3Å; I4159-S4161 WeakPolarHBondContact CG2-O 3.42Å; I4159-L4162 HydrophobicContact CB-CD2 4.08Å; I4159-L4162 HydrophobicContact CB-CG 4.42Å; I4159-L4162 HydrophobicContact CD1-CD2 4.29Å; I4159-L4162 HydrophobicContact CG2-CD2 4.32Å; I4159-L4162 HydrophobicContact CG2-CG 4.48Å | ||
| 4160 | N | 63 | Low | 70.5 | Confident | 116 Ų | 116 | 51.6 Ų | 51.6 | 62% | 0.62 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -79.2 | -24.5 | -174 | -77.4 | -30.4 | 0 | 0 | 0 | 114.2 | K4216 R4222 | N4160-K4216 WeakPolarHBondContact O-CA 3.36Å; N4160-K4216 WeakPolarHBondContact O-CB 3.23Å; N4160-K4216 VanDerWaalsContact O-CG 3.25Å; N4160-K4216 WeakPolarHBondContact O-CG 3.16Å; N4160-R4222 PolarHBondContact OD1-NH1 3.42Å |
| 4161 | S | 68.6 | Low | 71.1 | Confident | 56 Ų | 56 | 51.6 Ų | 51.6 | 39% | 0.392 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -139 | 114 | 179.8 | 51 | 0 | 0 | 0 | 0 | 108.1 | I4159 | I4159-S4161 VanDerWaalsContact CG2-O 3.3Å; I4159-S4161 WeakPolarHBondContact CG2-O 3.42Å |
| 4162 | L | 72.1 | Confident | 71.5 | Confident | 1.66667 Ų | 1.66667 | 49.6 Ų | 49.6 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -99.5 | 138 | -174.2 | -74.6 | 156.3 | 0 | 0 | 0 | 111 | L4156 I4159 E4166 M4167 I4170 I4214 V4215 L4217 | L4156-L4162 WeakPolarHBondContact O-CD2 3.34Å; I4159-L4162 HydrophobicContact CB-CD2 4.08Å; I4159-L4162 HydrophobicContact CB-CG 4.42Å; I4159-L4162 HydrophobicContact CD1-CD2 4.29Å; I4159-L4162 HydrophobicContact CG2-CD2 4.32Å; I4159-L4162 HydrophobicContact CG2-CG 4.48Å; L4162-E4166 VanDerWaalsContact CA-OE2 3.28Å; L4162-E4166 WeakPolarHBondContact CA-OE2 3.32Å; L4162-E4166 HydrophobicContact CB-CB 4.45Å; L4162-E4166 HydrophobicContact CD2-CB 3.52Å; L4162-E4166 VanDerWaalsContact CD2-CB 3.47Å; L4162-E4166 HydrophobicContact CD2-CG 4.43Å; L4162-M4167 HydrophobicContact CB-CE 4.32Å; L4162-M4167 HydrophobicContact CB-CG 3.82Å; L4162-M4167 HydrophobicContact CD1-CG 4.39Å; L4162-M4167 WeakPolarHBondContact O-CE 3.44Å; L4162-I4170 HydrophobicContact CD1-CD1 3.68Å; L4162-I4170 HydrophobicContact CD2-CD1 4.2Å; L4162-I4170 HydrophobicContact CG-CD1 4.48Å; L4162-I4214 WeakPolarHBondContact O-CA 3.43Å; L4162-V4215 PolarHBondContact N-O 3.34Å; L4162-V4215 PolarHBondContact O-N 3.16Å; L4162-L4217 HydrophobicContact CD1-CD1 3.32Å; L4162-L4217 VanDerWaalsContact CD1-CD1 3.41Å; L4162-L4217 HydrophobicContact CD1-CD2 4.29Å; L4162-L4217 HydrophobicContact CD1-CG 3.74Å |
| 4163 | Q | 78.9 | Confident | 71.8 | Confident | 83.6667 Ų | 83.6667 | 45 Ų | 45 | 39% | 0.391 | 25% | 0.254 | S | S | . | . | trans | -77.4 | 157.5 | 168.1 | -61.9 | -67.5 | -27.9 | 0 | 0 | 110.3 | N4165 E4166 M4167 I4214 | Q4163-N4165 PolarHBondContact O-N 3.26Å; Q4163-E4166 HydrophobicContact CB-CB 4.42Å; Q4163-E4166 HydrophobicContact CB-CG 4.1Å; Q4163-E4166 PolarHBondContact N-OE2 3.14Å; Q4163-E4166 WeakPolarHBondContact O-CB 3.36Å; Q4163-E4166 PolarHBondContact O-N 3.21Å; Q4163-M4167 PolarHBondContact O-N 3.35Å; Q4163-I4214 VanDerWaalsContact OE1-CD1 3.29Å; Q4163-I4214 VanDerWaalsContact OE1-CG1 3.28Å | ||
| 4164 | P | 71 | Confident | 72 | Confident | 18.3333 Ų | 18.3333 | 45 Ų | 45 | 12% | 0.119 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54 | -37.4 | 176.1 | -26.7 | 35.1 | 0 | 0 | 0 | 113.5 | E4166 M4167 S4168 K4212 | P4164-E4166 PolarHBondContact O-N 3.39Å; P4164-M4167 PolarHBondContact O-N 3.37Å; P4164-S4168 WeakPolarHBondContact O-CB 3.49Å; P4164-S4168 PolarHBondContact O-N 3.07Å; P4164-S4168 PolarHBondContact O-OG 3.39Å; P4164-K4212 HydrophobicContact CG-CB 4.37Å |
| 4165 | N | 72.6 | Confident | 72.2 | Confident | 134 Ų | 134 | 45.7 Ų | 45.7 | 72% | 0.717 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -68.8 | -35 | 178.4 | -58.3 | -1.1 | 0 | 0 | 0 | 112.2 | Q4163 S4168 A4169 | Q4163-N4165 PolarHBondContact O-N 3.26Å; N4165-S4168 WeakPolarHBondContact CA-OG 3.37Å; N4165-S4168 WeakPolarHBondContact O-CB 3.19Å; N4165-S4168 PolarHBondContact O-N 3.09Å; N4165-S4168 PolarHBondContact O-OG 3.02Å; N4165-A4169 WeakPolarHBondContact O-CB 3.43Å; N4165-A4169 PolarHBondContact O-N 3.26Å |
| 4166 | E | 76 | Confident | 71.9 | Confident | 56.3333 Ų | 56.3333 | 41.6 Ų | 41.6 | 26% | 0.263 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -73.7 | -36.2 | 176.9 | -62.9 | 172.1 | 150.4 | 0 | 0 | 110.7 | L4156 L4162 Q4163 P4164 A4169 I4170 | L4156-E4166 HydrophobicContact CD2-CB 4.06Å; L4156-E4166 HydrophobicContact CD2-CG 4.31Å; L4162-E4166 VanDerWaalsContact CA-OE2 3.28Å; L4162-E4166 WeakPolarHBondContact CA-OE2 3.32Å; L4162-E4166 HydrophobicContact CB-CB 4.45Å; L4162-E4166 HydrophobicContact CD2-CB 3.52Å; L4162-E4166 VanDerWaalsContact CD2-CB 3.47Å; L4162-E4166 HydrophobicContact CD2-CG 4.43Å; Q4163-E4166 HydrophobicContact CB-CB 4.42Å; Q4163-E4166 HydrophobicContact CB-CG 4.1Å; Q4163-E4166 PolarHBondContact N-OE2 3.14Å; Q4163-E4166 WeakPolarHBondContact O-CB 3.36Å; Q4163-E4166 PolarHBondContact O-N 3.21Å; P4164-E4166 PolarHBondContact O-N 3.39Å; E4166-A4169 WeakPolarHBondContact O-CB 3.39Å; E4166-A4169 PolarHBondContact O-N 3.28Å; E4166-I4170 WeakPolarHBondContact O-CG1 3.36Å; E4166-I4170 PolarHBondContact O-N 3.1Å; E4166-I4170 VanDerWaalsContact O-N 3.08Å |
| 4167 | M | 74.1 | Confident | 71.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 170.9 | -73.4 | -169.3 | -111.7 | 0 | 0 | 112.1 | L4162 Q4163 P4164 A4169 I4170 L4171 L4205 L4208 I4209 T4213 V4215 | L4162-M4167 HydrophobicContact CB-CE 4.32Å; L4162-M4167 HydrophobicContact CB-CG 3.82Å; L4162-M4167 HydrophobicContact CD1-CG 4.39Å; L4162-M4167 WeakPolarHBondContact O-CE 3.44Å; Q4163-M4167 PolarHBondContact O-N 3.35Å; P4164-M4167 PolarHBondContact O-N 3.37Å; M4167-A4169 VanDerWaalsContact C-N 3.3Å; M4167-A4169 PolarHBondContact O-N 2.93Å; M4167-I4170 WeakPolarHBondContact O-CB 3.39Å; M4167-I4170 PolarHBondContact O-N 3.15Å; M4167-L4171 PolarHBondContact O-N 3.29Å; M4167-L4171 VanDerWaalsContact O-N 3.13Å; M4167-L4205 HydrophobicContact CB-CD2 3.5Å; M4167-L4205 VanDerWaalsContact CB-CD2 3.46Å; M4167-L4205 HydrophobicContact CG-CD2 3.81Å; M4167-L4205 HydrophobicContact SD-CD2 4.13Å; M4167-L4208 HydrophobicContact CE-CB 4.47Å; M4167-L4208 HydrophobicContact SD-CB 3.93Å; M4167-L4208 HydrophobicContact SD-CD1 4.31Å; M4167-I4209 HydrophobicContact CB-CD1 3.94Å; M4167-I4209 HydrophobicContact CB-CG1 3.53Å; M4167-I4209 VanDerWaalsContact CB-CG1 3.48Å; M4167-T4213 WeakPolarHBondContact CE-O 3.38Å; M4167-V4215 HydrophobicContact CE-CB 4.28Å |
| 4168 | S | 74 | Confident | 71.8 | Confident | 54.3333 Ų | 54.3333 | 44.3 Ų | 44.3 | 38% | 0.38 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.4 | -38.1 | 172.9 | 153.5 | 0 | 0 | 0 | 0 | 111.8 | P4164 N4165 I4170 L4171 S4172 | P4164-S4168 WeakPolarHBondContact O-CB 3.49Å; P4164-S4168 PolarHBondContact O-N 3.07Å; P4164-S4168 PolarHBondContact O-OG 3.39Å; N4165-S4168 WeakPolarHBondContact CA-OG 3.37Å; N4165-S4168 WeakPolarHBondContact O-CB 3.19Å; N4165-S4168 PolarHBondContact O-N 3.09Å; N4165-S4168 PolarHBondContact O-OG 3.02Å; S4168-I4170 VanDerWaalsContact C-N 3.32Å; S4168-I4170 PolarHBondContact O-N 2.82Å; S4168-L4171 PolarHBondContact O-N 3.09Å; S4168-S4172 WeakPolarHBondContact O-CB 3.18Å; S4168-S4172 PolarHBondContact O-N 2.82Å; S4168-S4172 PolarHBondContact O-OG 3.32Å; S4168-S4172 VanDerWaalsContact O-OG 3.1Å |
| 4169 | A | 73.6 | Confident | 71.6 | Confident | 19.6667 Ų | 19.6667 | 44.7 Ų | 44.7 | 16% | 0.163 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.9 | -38.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R4152 L4156 N4165 E4166 M4167 L4171 S4172 S4173 | R4152-A4169 PolarHBondContact NH2-O 3.23Å; R4152-A4169 VanDerWaalsContact NH2-O 3.09Å; L4156-A4169 HydrophobicContact CD1-CB 3.71Å; N4165-A4169 WeakPolarHBondContact O-CB 3.43Å; N4165-A4169 PolarHBondContact O-N 3.26Å; E4166-A4169 WeakPolarHBondContact O-CB 3.39Å; E4166-A4169 PolarHBondContact O-N 3.28Å; M4167-A4169 VanDerWaalsContact C-N 3.3Å; M4167-A4169 PolarHBondContact O-N 2.93Å; A4169-L4171 VanDerWaalsContact C-N 3.26Å; A4169-L4171 PolarHBondContact O-N 2.92Å; A4169-S4172 WeakPolarHBondContact CA-OG 3.39Å; A4169-S4172 PolarHBondContact O-N 3.39Å; A4169-S4172 PolarHBondContact O-OG 3.34Å; A4169-S4173 WeakPolarHBondContact O-CB 3.31Å; A4169-S4173 PolarHBondContact O-N 3.04Å; A4169-S4173 PolarHBondContact O-OG 3.18Å |
| 4170 | I | 75.1 | Confident | 71.5 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.9 | -46.8 | 172.5 | -67.6 | 166.3 | 0 | 0 | 0 | 110.5 | L4153 L4156 L4157 L4162 E4166 M4167 S4168 S4172 S4173 I4174 L4205 L4225 | L4153-I4170 HydrophobicContact CD1-CG2 4.37Å; L4153-I4170 HydrophobicContact CD2-CB 4.24Å; L4153-I4170 HydrophobicContact CD2-CG1 4.34Å; L4153-I4170 HydrophobicContact CD2-CG2 3.86Å; L4153-I4170 HydrophobicContact CG-CG2 4.48Å; L4156-I4170 HydrophobicContact CB-CD1 4.08Å; L4156-I4170 HydrophobicContact CB-CG1 3.7Å; L4156-I4170 HydrophobicContact CD1-CG1 3.93Å; L4156-I4170 HydrophobicContact CG-CG1 4.42Å; L4157-I4170 HydrophobicContact CD2-CD1 4.05Å; L4157-I4170 HydrophobicContact CD2-CG2 4.49Å; L4162-I4170 HydrophobicContact CD1-CD1 3.68Å; L4162-I4170 HydrophobicContact CD2-CD1 4.2Å; L4162-I4170 HydrophobicContact CG-CD1 4.48Å; E4166-I4170 WeakPolarHBondContact O-CG1 3.36Å; E4166-I4170 PolarHBondContact O-N 3.1Å; E4166-I4170 VanDerWaalsContact O-N 3.08Å; M4167-I4170 WeakPolarHBondContact O-CB 3.39Å; M4167-I4170 PolarHBondContact O-N 3.15Å; S4168-I4170 VanDerWaalsContact C-N 3.32Å; S4168-I4170 PolarHBondContact O-N 2.82Å; I4170-S4172 PolarHBondContact O-N 3.37Å; I4170-S4173 PolarHBondContact O-N 3.33Å; I4170-I4174 HydrophobicContact CG2-CD1 3.91Å; I4170-I4174 WeakPolarHBondContact O-CB 3.4Å; I4170-I4174 WeakPolarHBondContact O-CD1 3.35Å; I4170-I4174 VanDerWaalsContact O-CG1 3.31Å; I4170-I4174 WeakPolarHBondContact O-CG1 3.41Å; I4170-I4174 PolarHBondContact O-N 3.22Å; I4170-I4174 VanDerWaalsContact O-N 3.07Å; I4170-L4205 HydrophobicContact CG2-CD1 4.03Å; I4170-L4225 HydrophobicContact CG2-CD1 4.43Å |
| 4171 | L | 77 | Confident | 71.5 | Confident | 26.6667 Ų | 26.6667 | 37.1 Ų | 37.1 | 14% | 0.14 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.3 | -45.1 | 179.4 | -94.9 | 170.5 | 0 | 0 | 0 | 111.6 | M4167 S4168 A4169 S4173 I4174 V4175 L4202 L4205 Q4206 I4209 | M4167-L4171 PolarHBondContact O-N 3.29Å; M4167-L4171 VanDerWaalsContact O-N 3.13Å; S4168-L4171 PolarHBondContact O-N 3.09Å; A4169-L4171 VanDerWaalsContact C-N 3.26Å; A4169-L4171 PolarHBondContact O-N 2.92Å; L4171-S4173 VanDerWaalsContact C-N 3.32Å; L4171-S4173 PolarHBondContact O-N 3.21Å; L4171-I4174 PolarHBondContact O-N 3.07Å; L4171-V4175 HydrophobicContact CD2-CG2 4.45Å; L4171-V4175 WeakPolarHBondContact O-CG2 3.28Å; L4171-V4175 PolarHBondContact O-N 3.15Å; L4171-V4175 VanDerWaalsContact O-N 3.09Å; L4171-L4202 HydrophobicContact CD2-CB 4.3Å; L4171-L4202 HydrophobicContact CD2-CD2 3.52Å; L4171-L4205 HydrophobicContact CD1-CB 4.27Å; L4171-L4205 HydrophobicContact CD2-CB 4.29Å; L4171-L4205 HydrophobicContact CG-CD2 4.43Å; L4171-Q4206 HydrophobicContact CD1-CB 4.28Å; L4171-I4209 HydrophobicContact CD1-CD1 3.62Å; L4171-I4209 VanDerWaalsContact CD1-CD1 3.45Å; L4171-I4209 HydrophobicContact CG-CD1 4.31Å |
| 4172 | S | 73.7 | Confident | 71 | Confident | 51.6667 Ų | 51.6667 | 39.4 Ų | 39.4 | 36% | 0.361 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.6 | -43.9 | 175.5 | 83.9 | 0 | 0 | 0 | 0 | 112.1 | S4168 A4169 I4170 I4174 V4175 I4176 | S4168-S4172 WeakPolarHBondContact O-CB 3.18Å; S4168-S4172 PolarHBondContact O-N 2.82Å; S4168-S4172 PolarHBondContact O-OG 3.32Å; S4168-S4172 VanDerWaalsContact O-OG 3.1Å; A4169-S4172 WeakPolarHBondContact CA-OG 3.39Å; A4169-S4172 PolarHBondContact O-N 3.39Å; A4169-S4172 PolarHBondContact O-OG 3.34Å; I4170-S4172 PolarHBondContact O-N 3.37Å; S4172-I4174 VanDerWaalsContact C-N 3.32Å; S4172-I4174 PolarHBondContact O-N 3.2Å; S4172-V4175 PolarHBondContact O-N 3.05Å; S4172-V4175 VanDerWaalsContact O-N 3.17Å; S4172-I4176 WeakPolarHBondContact O-CD1 3.48Å; S4172-I4176 VanDerWaalsContact O-CG1 3.26Å; S4172-I4176 WeakPolarHBondContact O-CG1 3.39Å; S4172-I4176 PolarHBondContact O-N 2.94Å |
| 4173 | S | 74.1 | Confident | 70.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.4 | -40 | 177.6 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | E4149 R4152 L4153 A4169 I4170 L4171 V4175 I4176 L4177 | E4149-S4173 WeakPolarHBondContact OE2-CA 3.31Å; E4149-S4173 WeakPolarHBondContact OE2-CB 3.35Å; E4149-S4173 PolarHBondContact OE2-OG 2.98Å; R4152-S4173 PolarHBondContact NE-OG 2.96Å; R4152-S4173 PolarHBondContact NH2-OG 3.22Å; L4153-S4173 VanDerWaalsContact CD1-CB 3.44Å; L4153-S4173 VanDerWaalsContact CG-CB 3.42Å; A4169-S4173 WeakPolarHBondContact O-CB 3.31Å; A4169-S4173 PolarHBondContact O-N 3.04Å; A4169-S4173 PolarHBondContact O-OG 3.18Å; I4170-S4173 PolarHBondContact O-N 3.33Å; L4171-S4173 VanDerWaalsContact C-N 3.32Å; L4171-S4173 PolarHBondContact O-N 3.21Å; S4173-V4175 VanDerWaalsContact C-N 3.34Å; S4173-V4175 PolarHBondContact O-N 3.49Å; S4173-I4176 PolarHBondContact O-N 3.25Å; S4173-L4177 VanDerWaalsContact O-CG 3.3Å; S4173-L4177 WeakPolarHBondContact O-CG 3.31Å; S4173-L4177 PolarHBondContact O-N 2.8Å; S4173-L4177 VanDerWaalsContact O-N 3.08Å |
| 4174 | I | 74.6 | Confident | 69.1 | Low | 2.33333 Ų | 2.33333 | 41.7 Ų | 41.7 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.1 | -39.6 | 177.3 | -70 | 169.2 | 0 | 0 | 0 | 111.4 | L4153 I4170 L4171 S4172 L4177 R4178 F4194 L4202 L4225 L4228 L4232 | L4153-I4174 HydrophobicContact CD1-CD1 4.33Å; L4153-I4174 HydrophobicContact CD1-CG1 3.79Å; L4153-I4174 VanDerWaalsContact CD1-CG1 3.46Å; L4153-I4174 HydrophobicContact CD2-CD1 4.44Å; L4153-I4174 HydrophobicContact CD2-CG1 4.09Å; I4170-I4174 HydrophobicContact CG2-CD1 3.91Å; I4170-I4174 WeakPolarHBondContact O-CB 3.4Å; I4170-I4174 WeakPolarHBondContact O-CD1 3.35Å; I4170-I4174 VanDerWaalsContact O-CG1 3.31Å; I4170-I4174 WeakPolarHBondContact O-CG1 3.41Å; I4170-I4174 PolarHBondContact O-N 3.22Å; I4170-I4174 VanDerWaalsContact O-N 3.07Å; L4171-I4174 PolarHBondContact O-N 3.07Å; S4172-I4174 VanDerWaalsContact C-N 3.32Å; S4172-I4174 PolarHBondContact O-N 3.2Å; I4174-L4177 PolarHBondContact O-N 2.91Å; I4174-R4178 WeakPolarHBondContact O-CB 3.42Å; I4174-R4178 PolarHBondContact O-N 3.12Å; I4174-F4194 HydrophobicContact CG2-CZ 4.25Å; I4174-L4202 HydrophobicContact CD1-CD2 3.84Å; I4174-L4202 HydrophobicContact CG2-CD2 4.19Å; I4174-L4225 HydrophobicContact CD1-CD2 3.84Å; I4174-L4228 HydrophobicContact CB-CD2 4.33Å; I4174-L4228 HydrophobicContact CD1-CD2 4.07Å; I4174-L4228 HydrophobicContact CG1-CD2 3.8Å; I4174-L4228 HydrophobicContact CG2-CD2 3.8Å; I4174-L4232 HydrophobicContact CG2-CD1 4.05Å |
| 4175 | V | 71.8 | Confident | 68.2 | Low | 70.6667 Ų | 70.6667 | 43.7 Ų | 43.7 | 43% | 0.428 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63 | -47.9 | 175.9 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | L4171 S4172 S4173 L4177 R4178 D4179 | L4171-V4175 HydrophobicContact CD2-CG2 4.45Å; L4171-V4175 WeakPolarHBondContact O-CG2 3.28Å; L4171-V4175 PolarHBondContact O-N 3.15Å; L4171-V4175 VanDerWaalsContact O-N 3.09Å; S4172-V4175 PolarHBondContact O-N 3.05Å; S4172-V4175 VanDerWaalsContact O-N 3.17Å; S4173-V4175 VanDerWaalsContact C-N 3.34Å; S4173-V4175 PolarHBondContact O-N 3.49Å; V4175-L4177 VanDerWaalsContact C-N 3.34Å; V4175-L4177 PolarHBondContact O-N 3.24Å; V4175-R4178 WeakPolarHBondContact O-CB 3.26Å; V4175-R4178 PolarHBondContact O-N 3.2Å; V4175-R4178 VanDerWaalsContact O-N 3.12Å; V4175-D4179 WeakPolarHBondContact CG1-OD2 3.32Å; V4175-D4179 VanDerWaalsContact O-CG 3.32Å; V4175-D4179 PolarHBondContact O-N 3.41Å |
| 4176 | I | 65.8 | Low | 67.2 | Low | 49.6667 Ų | 49.6667 | 42.1 Ų | 42.1 | 26% | 0.255 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.6 | -46.2 | 177.2 | -65.3 | 162.8 | 0 | 0 | 0 | 111 | Y4141 D4145 E4149 S4172 S4173 R4178 D4179 A4180 | Y4141-I4176 HydrophobicContact CD1-CG2 3.85Å; Y4141-I4176 HydrophobicContact CE1-CG1 4.28Å; Y4141-I4176 HydrophobicContact CE1-CG2 3.95Å; Y4141-I4176 HydrophobicContact CG-CG2 4.17Å; D4145-I4176 HydrophobicContact CB-CG2 4.43Å; E4149-I4176 HydrophobicContact CG-CD1 4.26Å; E4149-I4176 HydrophobicContact CG-CG2 4.26Å; S4172-I4176 WeakPolarHBondContact O-CD1 3.48Å; S4172-I4176 VanDerWaalsContact O-CG1 3.26Å; S4172-I4176 WeakPolarHBondContact O-CG1 3.39Å; S4172-I4176 PolarHBondContact O-N 2.94Å; S4173-I4176 PolarHBondContact O-N 3.25Å; I4176-R4178 VanDerWaalsContact C-N 3.32Å; I4176-R4178 PolarHBondContact O-N 3.23Å; I4176-D4179 PolarHBondContact O-N 3.15Å; I4176-A4180 VanDerWaalsContact O-CB 3.31Å; I4176-A4180 WeakPolarHBondContact O-CB 3.35Å; I4176-A4180 PolarHBondContact O-N 3.27Å; I4176-A4180 VanDerWaalsContact O-N 3.09Å |
| 4177 | L | 67.3 | Low | 65.9 | Low | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -35.8 | 177.5 | -68.3 | 178.6 | 0 | 0 | 0 | 113 | V4146 E4149 I4150 L4153 S4173 I4174 V4175 S4181 L4232 | V4146-L4177 HydrophobicContact CB-CD2 4.42Å; V4146-L4177 HydrophobicContact CG1-CD2 3.58Å; E4149-L4177 HydrophobicContact CB-CD2 4.5Å; I4150-L4177 HydrophobicContact CD1-CD2 4.44Å; I4150-L4177 HydrophobicContact CG1-CD1 4.11Å; I4150-L4177 HydrophobicContact CG1-CD2 3.97Å; L4153-L4177 HydrophobicContact CD1-CD1 3.78Å; L4153-L4177 HydrophobicContact CD1-CG 4.06Å; S4173-L4177 VanDerWaalsContact O-CG 3.3Å; S4173-L4177 WeakPolarHBondContact O-CG 3.31Å; S4173-L4177 PolarHBondContact O-N 2.8Å; S4173-L4177 VanDerWaalsContact O-N 3.08Å; I4174-L4177 PolarHBondContact O-N 2.91Å; V4175-L4177 VanDerWaalsContact C-N 3.34Å; V4175-L4177 PolarHBondContact O-N 3.24Å; L4177-S4181 PolarHBondContact O-N 3.12Å; L4177-L4232 HydrophobicContact CB-CB 3.77Å; L4177-L4232 HydrophobicContact CB-CD1 4.29Å; L4177-L4232 HydrophobicContact CD1-CB 4.25Å |
| 4178 | R | 69.8 | Low | 64.8 | Low | 80.6667 Ų | 80.6667 | 46.7 Ų | 46.7 | 30% | 0.304 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.5 | -49.2 | 176.4 | -174.4 | -156.1 | 150.6 | -175.9 | 0 | 110.5 | I4174 V4175 I4176 A4180 S4181 M4182 F4194 L4232 | I4174-R4178 WeakPolarHBondContact O-CB 3.42Å; I4174-R4178 PolarHBondContact O-N 3.12Å; V4175-R4178 WeakPolarHBondContact O-CB 3.26Å; V4175-R4178 PolarHBondContact O-N 3.2Å; V4175-R4178 VanDerWaalsContact O-N 3.12Å; I4176-R4178 VanDerWaalsContact C-N 3.32Å; I4176-R4178 PolarHBondContact O-N 3.23Å; R4178-A4180 VanDerWaalsContact C-N 3.33Å; R4178-A4180 PolarHBondContact O-N 3.39Å; R4178-S4181 WeakPolarHBondContact O-CA 3.42Å; R4178-S4181 WeakPolarHBondContact O-CB 3.44Å; R4178-S4181 PolarHBondContact O-N 3.12Å; R4178-S4181 PolarHBondContact O-OG 3.23Å; R4178-M4182 HydrophobicContact CG-CE 4.45Å; R4178-M4182 WeakPolarHBondContact O-CG 3.46Å; R4178-M4182 PolarHBondContact O-N 2.97Å; R4178-F4194 HydrophobicContact CB-CZ 4.29Å; R4178-F4194 VanDerWaalsContact CD-CZ 3.45Å; R4178-F4194 HydrophobicContact CG-CE1 4.2Å; R4178-F4194 HydrophobicContact CG-CZ 3.99Å; R4178-L4232 HydrophobicContact CB-CD1 4.19Å; R4178-L4232 HydrophobicContact CB-CD2 4.44Å; R4178-L4232 HydrophobicContact CG-CD2 4.47Å |
| 4179 | D | 63.7 | Low | 63.9 | Low | 61 Ų | 61 | 46.7 Ų | 46.7 | 33% | 0.326 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.2 | -38.9 | -175.6 | -65.9 | -16.3 | 0 | 0 | 0 | 110.8 | Y4141 V4175 I4176 S4181 M4182 | Y4141-D4179 HydrophobicContact CD2-CB 4.44Å; Y4141-D4179 HydrophobicContact CE2-CB 3.95Å; V4175-D4179 WeakPolarHBondContact CG1-OD2 3.32Å; V4175-D4179 VanDerWaalsContact O-CG 3.32Å; V4175-D4179 PolarHBondContact O-N 3.41Å; I4176-D4179 PolarHBondContact O-N 3.15Å; D4179-S4181 VanDerWaalsContact C-N 3.28Å; D4179-S4181 PolarHBondContact O-N 3.22Å; D4179-S4181 VanDerWaalsContact O-N 3.11Å; D4179-M4182 WeakPolarHBondContact O-CB 3.15Å; D4179-M4182 PolarHBondContact O-N 3.31Å; D4179-M4182 VanDerWaalsContact O-N 3.12Å |
| 4180 | A | 63.8 | Low | 63.1 | Low | 12 Ų | 12 | 51.9 Ų | 51.9 | 10% | 0.099 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.9 | -28.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | M4143 V4146 I4176 R4178 A4236 | M4143-A4180 HydrophobicContact CE-CB 4.26Å; M4143-A4180 WeakPolarHBondContact CE-O 3.25Å; M4143-A4180 HydrophobicContact SD-CB 3.9Å; V4146-A4180 HydrophobicContact CG2-CB 4.23Å; I4176-A4180 VanDerWaalsContact O-CB 3.31Å; I4176-A4180 WeakPolarHBondContact O-CB 3.35Å; I4176-A4180 PolarHBondContact O-N 3.27Å; I4176-A4180 VanDerWaalsContact O-N 3.09Å; R4178-A4180 VanDerWaalsContact C-N 3.33Å; R4178-A4180 PolarHBondContact O-N 3.39Å; A4180-A4236 HydrophobicContact CB-CB 3.87Å |
| 4181 | S | 63 | Low | 62.2 | Low | 0.666667 Ų | 0.666667 | 56.9 Ų | 56.9 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -9.2 | 178.8 | 74.4 | 0 | 0 | 0 | 0 | 114.7 | L4177 R4178 D4179 H4183 L4184 A4192 | L4177-S4181 PolarHBondContact O-N 3.12Å; R4178-S4181 WeakPolarHBondContact O-CA 3.42Å; R4178-S4181 WeakPolarHBondContact O-CB 3.44Å; R4178-S4181 PolarHBondContact O-N 3.12Å; R4178-S4181 PolarHBondContact O-OG 3.23Å; D4179-S4181 VanDerWaalsContact C-N 3.28Å; D4179-S4181 PolarHBondContact O-N 3.22Å; D4179-S4181 VanDerWaalsContact O-N 3.11Å; S4181-H4183 VanDerWaalsContact C-N 3.26Å; S4181-H4183 PolarHBondContact O-N 2.96Å; S4181-L4184 WeakPolarHBondContact O-CD1 3.3Å; S4181-L4184 WeakPolarHBondContact O-CG 3.41Å; S4181-L4184 PolarHBondContact O-N 3.35Å; S4181-A4192 WeakPolarHBondContact OG-CB 3.44Å |
| 4182 | M | 58.8 | Low | 61.6 | Low | 104.667 Ų | 104.667 | 56 Ų | 56 | 52% | 0.516 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -15.1 | -174.5 | -74.1 | -76.9 | -150 | 0 | 0 | 114.4 | R4178 D4179 L4184 A4192 | R4178-M4182 HydrophobicContact CG-CE 4.45Å; R4178-M4182 WeakPolarHBondContact O-CG 3.46Å; R4178-M4182 PolarHBondContact O-N 2.97Å; D4179-M4182 WeakPolarHBondContact O-CB 3.15Å; D4179-M4182 PolarHBondContact O-N 3.31Å; D4179-M4182 VanDerWaalsContact O-N 3.12Å; M4182-L4184 VanDerWaalsContact C-N 3.35Å; M4182-A4192 HydrophobicContact SD-CB 4.16Å |
| 4183 | H | 56.4 | Low | 61.3 | Low | 119.333 Ų | 119.333 | 61.8 Ų | 61.8 | 55% | 0.552 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 16.5 | -179.7 | -65.3 | -50.4 | 0 | 0 | 0 | 114.6 | S4181 | S4181-H4183 VanDerWaalsContact C-N 3.26Å; S4181-H4183 PolarHBondContact O-N 2.96Å |
| 4184 | L | 55.2 | Low | 61.3 | Low | 13.6667 Ų | 13.6667 | 63.9 Ų | 63.9 | 7% | 0.072 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -66.8 | 151 | 175.7 | -74.1 | 163.5 | 0 | 0 | 0 | 112.5 | S4181 M4182 L4188 A4192 L4235 Q4238 A4239 | S4181-L4184 WeakPolarHBondContact O-CD1 3.3Å; S4181-L4184 WeakPolarHBondContact O-CG 3.41Å; S4181-L4184 PolarHBondContact O-N 3.35Å; M4182-L4184 VanDerWaalsContact C-N 3.35Å; L4184-L4188 HydrophobicContact CB-CB 3.93Å; L4184-L4188 HydrophobicContact CD1-CB 4.2Å; L4184-L4188 HydrophobicContact CD2-CB 4.03Å; L4184-L4188 HydrophobicContact CD2-CD1 4Å; L4184-L4188 HydrophobicContact CG-CB 4.3Å; L4184-A4192 HydrophobicContact CD1-CB 4.25Å; L4184-L4235 HydrophobicContact CD1-CB 3.85Å; L4184-L4235 HydrophobicContact CD1-CD1 4.05Å; L4184-L4235 HydrophobicContact CD1-CD2 3.58Å; L4184-L4235 VanDerWaalsContact CD1-CD2 3.49Å; L4184-L4235 HydrophobicContact CD1-CG 4.12Å; L4184-L4235 HydrophobicContact CD2-CD2 4.25Å; L4184-Q4238 HydrophobicContact CD2-CB 4.29Å; L4184-Q4238 HydrophobicContact CD2-CG 4.18Å; L4184-A4239 HydrophobicContact CD2-CB 4.25Å; L4184-A4239 HydrophobicContact CG-CB 4.31Å |
| 4185 | P | 52.3 | Low | 61.3 | Low | 59.3333 Ų | 59.3333 | 66.3 Ų | 66.3 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | trans | -56 | 150.8 | 171.5 | 9.4 | -12.6 | 0 | 0 | 0 | 111.3 | N4187 L4188 S4189 | P4185-N4187 VanDerWaalsContact CB-OD1 3.25Å; P4185-N4187 WeakPolarHBondContact CB-OD1 3.39Å; P4185-N4187 WeakPolarHBondContact CG-OD1 3.23Å; P4185-N4187 PolarHBondContact O-N 3.17Å; P4185-N4187 PolarHBondContact O-OD1 3.32Å; P4185-L4188 HydrophobicContact CG-CB 4.46Å; P4185-L4188 HydrophobicContact CG-CD1 4.02Å; P4185-L4188 HydrophobicContact CG-CG 4.36Å; P4185-L4188 PolarHBondContact O-N 3.16Å; P4185-S4189 PolarHBondContact O-N 3.12Å; P4185-S4189 VanDerWaalsContact O-N 3.16Å | ||
| 4186 | S | 51.4 | Low | 61.3 | Low | 101.333 Ų | 101.333 | 69.4 Ų | 69.4 | 71% | 0.709 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | -36.5 | -170.4 | 53.5 | 0 | 0 | 0 | 0 | 114.5 | L4188 S4189 | S4186-L4188 VanDerWaalsContact C-N 3.3Å; S4186-L4188 PolarHBondContact O-N 3.34Å; S4186-S4189 PolarHBondContact O-N 3.01Å; S4186-S4189 PolarHBondContact O-OG 3.29Å |
| 4187 | N | 48.7 | Very low | 61.7 | Low | 120.333 Ų | 120.333 | 74.5 Ų | 74.5 | 64% | 0.643 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -18 | 178.3 | 23.4 | -16 | 0 | 0 | 0 | 114.9 | P4185 | P4185-N4187 VanDerWaalsContact CB-OD1 3.25Å; P4185-N4187 WeakPolarHBondContact CB-OD1 3.39Å; P4185-N4187 WeakPolarHBondContact CG-OD1 3.23Å; P4185-N4187 PolarHBondContact O-N 3.17Å; P4185-N4187 PolarHBondContact O-OD1 3.32Å |
| 4188 | L | 50 | Low | 62.2 | Low | 33 Ų | 33 | 75.1 Ų | 75.1 | 17% | 0.173 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -16 | 178.1 | -68.8 | 177.6 | 0 | 0 | 0 | 113.3 | L4184 P4185 S4186 E4190 Y4191 Q4238 A4364 W4368 | L4184-L4188 HydrophobicContact CB-CB 3.93Å; L4184-L4188 HydrophobicContact CD1-CB 4.2Å; L4184-L4188 HydrophobicContact CD2-CB 4.03Å; L4184-L4188 HydrophobicContact CD2-CD1 4Å; L4184-L4188 HydrophobicContact CG-CB 4.3Å; P4185-L4188 HydrophobicContact CG-CB 4.46Å; P4185-L4188 HydrophobicContact CG-CD1 4.02Å; P4185-L4188 HydrophobicContact CG-CG 4.36Å; P4185-L4188 PolarHBondContact O-N 3.16Å; S4186-L4188 VanDerWaalsContact C-N 3.3Å; S4186-L4188 PolarHBondContact O-N 3.34Å; L4188-E4190 PolarHBondContact O-N 2.88Å; L4188-E4190 VanDerWaalsContact O-N 3.11Å; L4188-Y4191 HydrophobicContact CB-CD2 4.43Å; L4188-Y4191 HydrophobicContact CD2-CD2 4.02Å; L4188-Y4191 HydrophobicContact CD2-CE2 4.15Å; L4188-Y4191 WeakPolarHBondContact O-CB 3.32Å; L4188-Y4191 PolarHBondContact O-N 3.08Å; L4188-Q4238 HydrophobicContact CD1-CG 4.08Å; L4188-A4364 HydrophobicContact CD1-CB 4.27Å; L4188-A4364 HydrophobicContact CD2-CB 3.61Å; L4188-A4364 HydrophobicContact CG-CB 4.49Å; L4188-W4368 HydrophobicContact CD1-CH2 4.4Å; L4188-W4368 HydrophobicContact CD2-CH2 4.16Å; L4188-W4368 HydrophobicContact CD2-CZ3 3.92Å |
| 4189 | S | 55 | Low | 62.5 | Low | 53 Ų | 53 | 75.4 Ų | 75.4 | 37% | 0.371 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -55.8 | -29.6 | -179.2 | 68.5 | 0 | 0 | 0 | 0 | 113.8 | P4185 S4186 Y4191 A4192 | P4185-S4189 PolarHBondContact O-N 3.12Å; P4185-S4189 VanDerWaalsContact O-N 3.16Å; S4186-S4189 PolarHBondContact O-N 3.01Å; S4186-S4189 PolarHBondContact O-OG 3.29Å; S4189-Y4191 VanDerWaalsContact C-N 3.3Å; S4189-Y4191 PolarHBondContact O-N 3.36Å; S4189-A4192 PolarHBondContact O-N 3.22Å |
| 4190 | E | 57.5 | Low | 63 | Low | 130.667 Ų | 130.667 | 77 Ų | 77 | 61% | 0.611 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -65.9 | -27.9 | 177.3 | -62.5 | -167.8 | 151.9 | 0 | 0 | 113.1 | L4188 A4192 R4193 | L4188-E4190 PolarHBondContact O-N 2.88Å; L4188-E4190 VanDerWaalsContact O-N 3.11Å; E4190-A4192 VanDerWaalsContact C-N 3.32Å; E4190-A4192 PolarHBondContact O-N 3.17Å; E4190-R4193 PolarHBondContact O-N 3.4Å |
| 4191 | Y | 56.8 | Low | 63.6 | Low | 103.333 Ų | 103.333 | 76.7 Ų | 76.7 | 41% | 0.405 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -78 | -15.1 | -179.2 | -64.5 | -80.1 | 0 | 0 | 0 | 113.8 | L4188 S4189 R4193 R4231 W4368 | L4188-Y4191 HydrophobicContact CB-CD2 4.43Å; L4188-Y4191 HydrophobicContact CD2-CD2 4.02Å; L4188-Y4191 HydrophobicContact CD2-CE2 4.15Å; L4188-Y4191 WeakPolarHBondContact O-CB 3.32Å; L4188-Y4191 PolarHBondContact O-N 3.08Å; S4189-Y4191 VanDerWaalsContact C-N 3.3Å; S4189-Y4191 PolarHBondContact O-N 3.36Å; Y4191-R4193 VanDerWaalsContact C-N 3.31Å; Y4191-R4231 PolarHBondContact O-NE 3.28Å; Y4191-W4368 AromaticContact CD1-CD1 3.8Å; Y4191-W4368 AromaticContact CD1-CE2 3.59Å; Y4191-W4368 AromaticContact CD1-CZ2 3.86Å; Y4191-W4368 HydrophobicContact CD1-CZ2 3.86Å; Y4191-W4368 AromaticContact CD1-NE1 2.88Å; Y4191-W4368 AromaticContact CD2-NE1 3.67Å; Y4191-W4368 AromaticContact CE1-CD1 3.46Å; Y4191-W4368 VanDerWaalsContact CE1-CD1 3.46Å; Y4191-W4368 AromaticContact CE1-CE2 3.73Å; Y4191-W4368 HydrophobicContact CE1-CG 4.4Å; Y4191-W4368 HydrophobicContact CE1-CZ2 4.29Å; Y4191-W4368 AromaticContact CE1-NE1 2.98Å; Y4191-W4368 AromaticContact CE2-CD1 3.75Å; Y4191-W4368 AromaticContact CE2-NE1 3.79Å; Y4191-W4368 AromaticContact CG-NE1 3.24Å; Y4191-W4368 AromaticContact CZ-CD1 3.43Å; Y4191-W4368 VanDerWaalsContact CZ-CD1 3.43Å; Y4191-W4368 AromaticContact CZ-NE1 3.45Å |
| 4192 | A | 63.1 | Low | 64.4 | Low | 8 Ų | 8 | 77.6 Ų | 77.6 | 7% | 0.066 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -79.6 | -12.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S4181 M4182 L4184 S4189 E4190 L4235 | S4181-A4192 WeakPolarHBondContact OG-CB 3.44Å; M4182-A4192 HydrophobicContact SD-CB 4.16Å; L4184-A4192 HydrophobicContact CD1-CB 4.25Å; S4189-A4192 PolarHBondContact O-N 3.22Å; E4190-A4192 VanDerWaalsContact C-N 3.32Å; E4190-A4192 PolarHBondContact O-N 3.17Å; A4192-L4235 HydrophobicContact CB-CD1 4.33Å |
| 4193 | R | 68.2 | Low | 65.3 | Low | 175 Ų | 175 | 77 Ų | 77 | 66% | 0.66 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -70.2 | 140.6 | 176.6 | -68.3 | -176.7 | 177.2 | 150.5 | 1.9 | 110.9 | E4190 Y4191 R4231 | E4190-R4193 PolarHBondContact O-N 3.4Å; Y4191-R4193 VanDerWaalsContact C-N 3.31Å; R4193-R4231 PolarHBondContact O-NH2 3.05Å |
| 4194 | F | 73.7 | Confident | 66.3 | Low | 43.3333 Ų | 43.3333 | 77.1 Ų | 77.1 | 19% | 0.19 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 139.5 | 172.8 | -60.3 | -37.4 | 0 | 0 | 0 | 110.1 | I4174 R4178 E4198 E4199 L4202 L4228 L4232 | I4174-F4194 HydrophobicContact CG2-CZ 4.25Å; R4178-F4194 HydrophobicContact CB-CZ 4.29Å; R4178-F4194 VanDerWaalsContact CD-CZ 3.45Å; R4178-F4194 HydrophobicContact CG-CE1 4.2Å; R4178-F4194 HydrophobicContact CG-CZ 3.99Å; F4194-E4198 WeakPolarHBondContact CA-OE2 3.34Å; F4194-E4198 HydrophobicContact CB-CB 4.27Å; F4194-E4199 HydrophobicContact CB-CG 3.6Å; F4194-E4199 HydrophobicContact CD2-CG 4.4Å; F4194-E4199 HydrophobicContact CG-CG 4.41Å; F4194-L4202 HydrophobicContact CD1-CD1 4.39Å; F4194-L4202 HydrophobicContact CD2-CD1 4.08Å; F4194-L4202 HydrophobicContact CE1-CD1 4.13Å; F4194-L4202 HydrophobicContact CE2-CD1 3.86Å; F4194-L4202 HydrophobicContact CG-CD1 4.34Å; F4194-L4202 HydrophobicContact CZ-CD1 4.03Å; F4194-L4228 HydrophobicContact CD1-CD1 3.69Å; F4194-L4228 HydrophobicContact CD1-CD2 4.44Å; F4194-L4228 HydrophobicContact CE1-CD1 3.76Å; F4194-L4228 HydrophobicContact CE1-CD2 4.36Å; F4194-L4228 HydrophobicContact CE1-CG 4.27Å; F4194-L4232 HydrophobicContact CE1-CD1 4.08Å; F4194-L4232 HydrophobicContact CE1-CD2 4.47Å |
| 4195 | S | 74.4 | Confident | 67.3 | Low | 53.6667 Ų | 53.6667 | 76.5 Ų | 76.5 | 38% | 0.375 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 157 | 166.5 | 65 | 0 | 0 | 0 | 0 | 110.1 | K4197 E4198 E4199 | S4195-K4197 PolarHBondContact O-N 3.03Å; S4195-K4197 VanDerWaalsContact O-N 3.09Å; S4195-E4198 PolarHBondContact N-OE2 2.94Å; S4195-E4198 WeakPolarHBondContact O-CA 3.38Å; S4195-E4198 WeakPolarHBondContact O-CB 3.39Å; S4195-E4198 PolarHBondContact O-N 3.28Å; S4195-E4198 VanDerWaalsContact OG-CG 3.31Å; S4195-E4198 WeakPolarHBondContact OG-CG 3.32Å; S4195-E4198 PolarHBondContact OG-N 2.85Å; S4195-E4198 PolarHBondContact OG-OE2 3.05Å; S4195-E4198 VanDerWaalsContact OG-OE2 3.07Å; S4195-E4199 PolarHBondContact O-N 3.14Å |
| 4196 | L | 72.2 | Confident | 68.6 | Low | 135.667 Ų | 135.667 | 76.9 Ų | 76.9 | 71% | 0.71 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -51.1 | -36.9 | 177 | -72.5 | 164.2 | 0 | 0 | 0 | 113 | E4198 E4199 D4200 | L4196-E4198 VanDerWaalsContact C-N 3.32Å; L4196-E4198 PolarHBondContact O-N 3Å; L4196-E4199 PolarHBondContact O-N 2.96Å; L4196-D4200 VanDerWaalsContact O-CB 3.31Å; L4196-D4200 WeakPolarHBondContact O-CB 3.44Å; L4196-D4200 VanDerWaalsContact O-CG 3.29Å; L4196-D4200 PolarHBondContact O-N 2.99Å |
| 4197 | K | 74 | Confident | 69.8 | Low | 156 Ų | 156 | 77.3 Ų | 77.3 | 68% | 0.678 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -68.3 | -30.3 | 177.2 | -69.4 | -176.6 | 179.1 | 177.3 | 0 | 113.3 | S4195 A4201 | S4195-K4197 PolarHBondContact O-N 3.03Å; S4195-K4197 VanDerWaalsContact O-N 3.09Å; K4197-A4201 WeakPolarHBondContact O-CB 3.45Å; K4197-A4201 PolarHBondContact O-N 3.25Å; K4197-A4201 VanDerWaalsContact O-N 3.1Å |
| 4198 | E | 78.1 | Confident | 71 | Confident | 13 Ų | 13 | 73.3 Ų | 73.3 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -79.5 | -41.6 | 177.6 | -71.3 | 162 | 163.6 | 0 | 0 | 110.6 | F4194 S4195 L4196 A4201 L4202 T4224 L4228 R4231 | F4194-E4198 WeakPolarHBondContact CA-OE2 3.34Å; F4194-E4198 HydrophobicContact CB-CB 4.27Å; S4195-E4198 PolarHBondContact N-OE2 2.94Å; S4195-E4198 WeakPolarHBondContact O-CA 3.38Å; S4195-E4198 WeakPolarHBondContact O-CB 3.39Å; S4195-E4198 PolarHBondContact O-N 3.28Å; S4195-E4198 VanDerWaalsContact OG-CG 3.31Å; S4195-E4198 WeakPolarHBondContact OG-CG 3.32Å; S4195-E4198 PolarHBondContact OG-N 2.85Å; S4195-E4198 PolarHBondContact OG-OE2 3.05Å; S4195-E4198 VanDerWaalsContact OG-OE2 3.07Å; L4196-E4198 VanDerWaalsContact C-N 3.32Å; L4196-E4198 PolarHBondContact O-N 3Å; E4198-A4201 WeakPolarHBondContact O-CB 3.28Å; E4198-A4201 PolarHBondContact O-N 3.03Å; E4198-A4201 VanDerWaalsContact O-N 3.12Å; E4198-L4202 VanDerWaalsContact O-CG 3.31Å; E4198-L4202 WeakPolarHBondContact O-CG 3.35Å; E4198-L4202 PolarHBondContact O-N 3.07Å; E4198-T4224 HydrophobicContact CG-CG2 3.93Å; E4198-L4228 HydrophobicContact CB-CD1 3.61Å; E4198-L4228 HydrophobicContact CB-CD2 4.29Å; E4198-L4228 HydrophobicContact CG-CB 4.41Å; E4198-L4228 HydrophobicContact CG-CD1 3.98Å; E4198-L4228 HydrophobicContact CG-CD2 4.38Å; E4198-R4231 IonicContact OE1-CZ 3.33Å; E4198-R4231 IonicContact OE1-NH1 3.25Å; E4198-R4231 PolarHBondContact OE1-NH1 3.11Å; E4198-R4231 IonicContact OE1-NH2 2.85Å; E4198-R4231 PolarHBondContact OE1-NH2 2.96Å; E4198-R4231 IonicContact OE2-CZ 3.52Å; E4198-R4231 IonicContact OE2-NH1 3.5Å; E4198-R4231 PolarHBondContact OE2-NH1 3.44Å; E4198-R4231 IonicContact OE2-NH2 3.76Å; E4198-R4231 PolarHBondContact OE2-NH2 2.93Å |
| 4199 | E | 76.1 | Confident | 72.1 | Confident | 86 Ų | 86 | 72.9 Ų | 72.9 | 40% | 0.402 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 172.1 | -65.9 | -176.9 | 162.1 | 0 | 0 | 111.1 | F4194 S4195 L4196 A4201 L4202 N4203 | F4194-E4199 HydrophobicContact CB-CG 3.6Å; F4194-E4199 HydrophobicContact CD2-CG 4.4Å; F4194-E4199 HydrophobicContact CG-CG 4.41Å; S4195-E4199 PolarHBondContact O-N 3.14Å; L4196-E4199 PolarHBondContact O-N 2.96Å; E4199-A4201 VanDerWaalsContact C-N 3.27Å; E4199-A4201 PolarHBondContact O-N 3.35Å; E4199-L4202 PolarHBondContact O-N 2.78Å; E4199-N4203 VanDerWaalsContact O-CB 3.28Å; E4199-N4203 WeakPolarHBondContact O-CB 3.25Å; E4199-N4203 VanDerWaalsContact O-CG 3.23Å; E4199-N4203 PolarHBondContact O-N 3.07Å; E4199-N4203 PolarHBondContact O-ND2 2.86Å |
| 4200 | D | 75.4 | Confident | 73.1 | Confident | 94.6667 Ų | 94.6667 | 75.3 Ų | 75.3 | 51% | 0.506 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.5 | -37.5 | 173.3 | -80.2 | -14.5 | 0 | 0 | 0 | 112.4 | L4196 K4204 | L4196-D4200 VanDerWaalsContact O-CB 3.31Å; L4196-D4200 WeakPolarHBondContact O-CB 3.44Å; L4196-D4200 VanDerWaalsContact O-CG 3.29Å; L4196-D4200 PolarHBondContact O-N 2.99Å; D4200-K4204 WeakPolarHBondContact O-CB 3.38Å; D4200-K4204 VanDerWaalsContact O-CD 3.31Å; D4200-K4204 WeakPolarHBondContact O-CD 3.18Å; D4200-K4204 VanDerWaalsContact O-CG 3.26Å; D4200-K4204 WeakPolarHBondContact O-CG 3.31Å; D4200-K4204 PolarHBondContact O-N 3.06Å |
| 4201 | A | 75.2 | Confident | 73.8 | Confident | 5 Ų | 5 | 74.7 Ų | 74.7 | 4% | 0.041 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.6 | -41.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K4197 E4198 E4199 K4204 L4205 L4221 T4224 L4225 | K4197-A4201 WeakPolarHBondContact O-CB 3.45Å; K4197-A4201 PolarHBondContact O-N 3.25Å; K4197-A4201 VanDerWaalsContact O-N 3.1Å; E4198-A4201 WeakPolarHBondContact O-CB 3.28Å; E4198-A4201 PolarHBondContact O-N 3.03Å; E4198-A4201 VanDerWaalsContact O-N 3.12Å; E4199-A4201 VanDerWaalsContact C-N 3.27Å; E4199-A4201 PolarHBondContact O-N 3.35Å; A4201-K4204 PolarHBondContact O-N 2.73Å; A4201-L4205 WeakPolarHBondContact O-CB 3.45Å; A4201-L4205 PolarHBondContact O-N 2.88Å; A4201-L4221 HydrophobicContact CB-CD1 3.9Å; A4201-L4221 HydrophobicContact CB-CD2 4.44Å; A4201-L4221 HydrophobicContact CB-CG 4.28Å; A4201-T4224 HydrophobicContact CB-CG2 4.34Å; A4201-L4225 HydrophobicContact CB-CD2 4.42Å |
| 4202 | L | 79 | Confident | 74.4 | Confident | 21.5 Ų | 21.5 | 78.1 Ų | 78.1 | 11% | 0.113 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.2 | -43.2 | 176.1 | -68 | 171.5 | 0 | 0 | 0 | 111.5 | L4171 I4174 F4194 E4198 E4199 K4204 L4205 Q4206 L4225 L4228 | L4171-L4202 HydrophobicContact CD2-CB 4.3Å; L4171-L4202 HydrophobicContact CD2-CD2 3.52Å; I4174-L4202 HydrophobicContact CD1-CD2 3.84Å; I4174-L4202 HydrophobicContact CG2-CD2 4.19Å; F4194-L4202 HydrophobicContact CD1-CD1 4.39Å; F4194-L4202 HydrophobicContact CD2-CD1 4.08Å; F4194-L4202 HydrophobicContact CE1-CD1 4.13Å; F4194-L4202 HydrophobicContact CE2-CD1 3.86Å; F4194-L4202 HydrophobicContact CG-CD1 4.34Å; F4194-L4202 HydrophobicContact CZ-CD1 4.03Å; E4198-L4202 VanDerWaalsContact O-CG 3.31Å; E4198-L4202 WeakPolarHBondContact O-CG 3.35Å; E4198-L4202 PolarHBondContact O-N 3.07Å; E4199-L4202 PolarHBondContact O-N 2.78Å; L4202-K4204 VanDerWaalsContact C-N 3.34Å; L4202-K4204 PolarHBondContact O-N 3.3Å; L4202-L4205 CarbonylContact O-C 3.58Å; L4202-L4205 WeakPolarHBondContact O-CA 3.47Å; L4202-L4205 VanDerWaalsContact O-CB 3.3Å; L4202-L4205 WeakPolarHBondContact O-CB 3.41Å; L4202-L4205 PolarHBondContact O-N 3.09Å; L4202-L4205 VanDerWaalsContact O-N 3.1Å; L4202-Q4206 PolarHBondContact O-N 3.05Å; L4202-L4225 HydrophobicContact CD2-CD2 4.1Å; L4202-L4228 HydrophobicContact CD1-CD2 4.39Å; L4202-L4228 HydrophobicContact CD2-CD2 4.49Å |
| 4203 | N | 78.6 | Confident | 74.5 | Confident | 91.5 Ų | 91.5 | 80.3 Ų | 80.3 | 49% | 0.489 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 175.6 | -72.3 | -25.5 | 0 | 0 | 0 | 111.6 | E4199 L4205 Q4206 M4207 | E4199-N4203 VanDerWaalsContact O-CB 3.28Å; E4199-N4203 WeakPolarHBondContact O-CB 3.25Å; E4199-N4203 VanDerWaalsContact O-CG 3.23Å; E4199-N4203 PolarHBondContact O-N 3.07Å; E4199-N4203 PolarHBondContact O-ND2 2.86Å; N4203-L4205 VanDerWaalsContact C-N 3.33Å; N4203-L4205 PolarHBondContact O-N 2.87Å; N4203-Q4206 PolarHBondContact O-N 3.03Å; N4203-M4207 WeakPolarHBondContact O-CB 3.33Å; N4203-M4207 VanDerWaalsContact O-CG 3.26Å; N4203-M4207 WeakPolarHBondContact O-CG 3.46Å; N4203-M4207 PolarHBondContact O-N 3.19Å |
| 4204 | K | 77.4 | Confident | 74.5 | Confident | 121.5 Ų | 121.5 | 76.9 Ų | 76.9 | 53% | 0.528 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 172 | -78.3 | 170 | -175.1 | 169.1 | 0 | 111.8 | D4200 A4201 L4202 M4207 L4208 L4221 | D4200-K4204 WeakPolarHBondContact O-CB 3.38Å; D4200-K4204 VanDerWaalsContact O-CD 3.31Å; D4200-K4204 WeakPolarHBondContact O-CD 3.18Å; D4200-K4204 VanDerWaalsContact O-CG 3.26Å; D4200-K4204 WeakPolarHBondContact O-CG 3.31Å; D4200-K4204 PolarHBondContact O-N 3.06Å; A4201-K4204 PolarHBondContact O-N 2.73Å; L4202-K4204 VanDerWaalsContact C-N 3.34Å; L4202-K4204 PolarHBondContact O-N 3.3Å; K4204-M4207 PolarHBondContact O-N 2.91Å; K4204-L4208 VanDerWaalsContact O-CG 3.29Å; K4204-L4208 WeakPolarHBondContact O-CG 3.4Å; K4204-L4208 PolarHBondContact O-N 3.08Å; K4204-L4208 VanDerWaalsContact O-N 3.1Å; K4204-L4221 HydrophobicContact CB-CD1 3.99Å; K4204-L4221 HydrophobicContact CD-CD1 4.18Å |
| 4205 | L | 76.6 | Confident | 74.2 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 177.1 | -131.2 | 168 | 0 | 0 | 0 | 111.3 | M4167 I4170 L4171 A4201 L4202 N4203 L4208 I4209 L4225 | M4167-L4205 HydrophobicContact CB-CD2 3.5Å; M4167-L4205 VanDerWaalsContact CB-CD2 3.46Å; M4167-L4205 HydrophobicContact CG-CD2 3.81Å; M4167-L4205 HydrophobicContact SD-CD2 4.13Å; I4170-L4205 HydrophobicContact CG2-CD1 4.03Å; L4171-L4205 HydrophobicContact CD1-CB 4.27Å; L4171-L4205 HydrophobicContact CD2-CB 4.29Å; L4171-L4205 HydrophobicContact CG-CD2 4.43Å; A4201-L4205 WeakPolarHBondContact O-CB 3.45Å; A4201-L4205 PolarHBondContact O-N 2.88Å; L4202-L4205 CarbonylContact O-C 3.58Å; L4202-L4205 WeakPolarHBondContact O-CA 3.47Å; L4202-L4205 VanDerWaalsContact O-CB 3.3Å; L4202-L4205 WeakPolarHBondContact O-CB 3.41Å; L4202-L4205 PolarHBondContact O-N 3.09Å; L4202-L4205 VanDerWaalsContact O-N 3.1Å; N4203-L4205 VanDerWaalsContact C-N 3.33Å; N4203-L4205 PolarHBondContact O-N 2.87Å; L4205-L4208 PolarHBondContact O-N 3.33Å; L4205-I4209 HydrophobicContact CD2-CD1 4.14Å; L4205-I4209 HydrophobicContact CD2-CG1 4.34Å; L4205-I4209 WeakPolarHBondContact O-CG1 3.3Å; L4205-I4209 PolarHBondContact O-N 3.09Å; L4205-I4209 VanDerWaalsContact O-N 3.13Å; L4205-L4225 HydrophobicContact CD1-CD1 3.46Å; L4205-L4225 HydrophobicContact CD1-CD2 3.96Å; L4205-L4225 HydrophobicContact CD1-CG 4.36Å; L4205-L4225 HydrophobicContact CG-CD1 4.37Å |
| 4206 | Q | 79.2 | Confident | 73.9 | Confident | 68 Ų | 68 | 81.8 Ų | 81.8 | 32% | 0.318 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.1 | -47.5 | 176 | -172.3 | 61.7 | 45.1 | 0 | 0 | 111.7 | L4171 L4202 N4203 L4208 I4209 D4210 | L4171-Q4206 HydrophobicContact CD1-CB 4.28Å; L4202-Q4206 PolarHBondContact O-N 3.05Å; N4203-Q4206 PolarHBondContact O-N 3.03Å; Q4206-L4208 VanDerWaalsContact C-N 3.27Å; Q4206-L4208 PolarHBondContact O-N 3.26Å; Q4206-I4209 WeakPolarHBondContact O-CB 3.44Å; Q4206-I4209 PolarHBondContact O-N 3.24Å; Q4206-I4209 VanDerWaalsContact O-N 3.1Å; Q4206-D4210 PolarHBondContact NE2-OD1 3.06Å; Q4206-D4210 VanDerWaalsContact NE2-OD1 3.13Å; Q4206-D4210 VanDerWaalsContact O-CG 3.28Å; Q4206-D4210 PolarHBondContact O-N 3.04Å |
| 4207 | M | 77 | Confident | 73.7 | Confident | 109.5 Ų | 109.5 | 76.5 Ų | 76.5 | 54% | 0.539 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.2 | -36.5 | 176.1 | -74.8 | -118.8 | 3.8 | 0 | 0 | 113 | N4203 K4204 D4210 Q4211 | N4203-M4207 WeakPolarHBondContact O-CB 3.33Å; N4203-M4207 VanDerWaalsContact O-CG 3.26Å; N4203-M4207 WeakPolarHBondContact O-CG 3.46Å; N4203-M4207 PolarHBondContact O-N 3.19Å; K4204-M4207 PolarHBondContact O-N 2.91Å; M4207-D4210 PolarHBondContact O-N 3.48Å; M4207-Q4211 VanDerWaalsContact O-CG 3.28Å; M4207-Q4211 WeakPolarHBondContact O-CG 3.26Å; M4207-Q4211 PolarHBondContact O-N 3.08Å; M4207-Q4211 VanDerWaalsContact O-N 3.13Å |
| 4208 | L | 73.9 | Confident | 73.5 | Confident | 37 Ų | 37 | 74.6 Ų | 74.6 | 19% | 0.194 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -70.8 | -34.8 | 177.3 | -69.7 | 172 | 0 | 0 | 0 | 112.5 | M4167 K4204 L4205 Q4206 K4212 T4213 V4215 | M4167-L4208 HydrophobicContact CE-CB 4.47Å; M4167-L4208 HydrophobicContact SD-CB 3.93Å; M4167-L4208 HydrophobicContact SD-CD1 4.31Å; K4204-L4208 VanDerWaalsContact O-CG 3.29Å; K4204-L4208 WeakPolarHBondContact O-CG 3.4Å; K4204-L4208 PolarHBondContact O-N 3.08Å; K4204-L4208 VanDerWaalsContact O-N 3.1Å; L4205-L4208 PolarHBondContact O-N 3.33Å; Q4206-L4208 VanDerWaalsContact C-N 3.27Å; Q4206-L4208 PolarHBondContact O-N 3.26Å; L4208-K4212 PolarHBondContact O-N 3.41Å; L4208-T4213 PolarHBondContact O-N 2.92Å; L4208-T4213 PolarHBondContact O-OG1 3.34Å; L4208-V4215 HydrophobicContact CD1-CB 4.4Å; L4208-V4215 HydrophobicContact CD1-CG1 4.29Å; L4208-V4215 HydrophobicContact CD1-CG2 4.45Å; L4208-V4215 HydrophobicContact CD2-CG1 4.38Å; L4208-V4215 HydrophobicContact CD2-CG2 4Å |
| 4209 | I | 73.6 | Confident | 73.3 | Confident | 24.5 Ų | 24.5 | 82.7 Ų | 82.7 | 13% | 0.126 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.2 | -48.1 | 172.9 | -65.8 | 162 | 0 | 0 | 0 | 110.1 | M4167 L4171 L4205 Q4206 Q4211 K4212 | M4167-I4209 HydrophobicContact CB-CD1 3.94Å; M4167-I4209 HydrophobicContact CB-CG1 3.53Å; M4167-I4209 VanDerWaalsContact CB-CG1 3.48Å; L4171-I4209 HydrophobicContact CD1-CD1 3.62Å; L4171-I4209 VanDerWaalsContact CD1-CD1 3.45Å; L4171-I4209 HydrophobicContact CG-CD1 4.31Å; L4205-I4209 HydrophobicContact CD2-CD1 4.14Å; L4205-I4209 HydrophobicContact CD2-CG1 4.34Å; L4205-I4209 WeakPolarHBondContact O-CG1 3.3Å; L4205-I4209 PolarHBondContact O-N 3.09Å; L4205-I4209 VanDerWaalsContact O-N 3.13Å; Q4206-I4209 WeakPolarHBondContact O-CB 3.44Å; Q4206-I4209 PolarHBondContact O-N 3.24Å; Q4206-I4209 VanDerWaalsContact O-N 3.1Å; I4209-Q4211 VanDerWaalsContact C-N 3.26Å; I4209-Q4211 PolarHBondContact O-N 3.1Å; I4209-K4212 WeakPolarHBondContact O-CA 3.43Å; I4209-K4212 PolarHBondContact O-N 2.96Å |
| 4210 | D | 74.6 | Confident | 73.1 | Confident | 103 Ų | 103 | 85.7 Ų | 85.7 | 55% | 0.551 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.1 | -34 | -178 | -64.2 | -21.7 | 0 | 0 | 0 | 111.7 | Q4206 M4207 K4212 | Q4206-D4210 PolarHBondContact NE2-OD1 3.06Å; Q4206-D4210 VanDerWaalsContact NE2-OD1 3.13Å; Q4206-D4210 VanDerWaalsContact O-CG 3.28Å; Q4206-D4210 PolarHBondContact O-N 3.04Å; M4207-D4210 PolarHBondContact O-N 3.48Å; D4210-K4212 VanDerWaalsContact C-N 3.27Å; D4210-K4212 PolarHBondContact O-N 3.36Å |
| 4211 | Q | 73.3 | Confident | 73 | Confident | 119 Ų | 119 | 82.2 Ų | 82.2 | 56% | 0.556 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -7.7 | 173.4 | -70.6 | 177.4 | 8.9 | 0 | 0 | 114 | M4207 I4209 T4213 | M4207-Q4211 VanDerWaalsContact O-CG 3.28Å; M4207-Q4211 WeakPolarHBondContact O-CG 3.26Å; M4207-Q4211 PolarHBondContact O-N 3.08Å; M4207-Q4211 VanDerWaalsContact O-N 3.13Å; I4209-Q4211 VanDerWaalsContact C-N 3.26Å; I4209-Q4211 PolarHBondContact O-N 3.1Å; Q4211-T4213 HydrophobicContact CB-CG2 3.92Å; Q4211-T4213 PolarHBondContact O-N 3.26Å; Q4211-T4213 VanDerWaalsContact O-N 3.09Å |
| 4212 | K | 69.1 | Low | 72.9 | Confident | 174 Ų | 174 | 85.6 Ų | 85.6 | 76% | 0.757 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 31.4 | -178.2 | -62 | -175.2 | 178.6 | -179.5 | 0 | 114.3 | P4164 L4208 I4209 D4210 | P4164-K4212 HydrophobicContact CG-CB 4.37Å; L4208-K4212 PolarHBondContact O-N 3.41Å; I4209-K4212 WeakPolarHBondContact O-CA 3.43Å; I4209-K4212 PolarHBondContact O-N 2.96Å; D4210-K4212 VanDerWaalsContact C-N 3.27Å; D4210-K4212 PolarHBondContact O-N 3.36Å |
| 4213 | T | 64.3 | Low | 72.6 | Confident | 54 Ų | 54 | 89.3 Ų | 89.3 | 33% | 0.331 | 43% | 0.427 | S | S | . | . | trans | -92.8 | 142.5 | -178.4 | 50.9 | 0 | 0 | 0 | 0 | 112.2 | M4167 L4208 Q4211 V4215 | M4167-T4213 WeakPolarHBondContact CE-O 3.38Å; L4208-T4213 PolarHBondContact O-N 2.92Å; L4208-T4213 PolarHBondContact O-OG1 3.34Å; Q4211-T4213 HydrophobicContact CB-CG2 3.92Å; Q4211-T4213 PolarHBondContact O-N 3.26Å; Q4211-T4213 VanDerWaalsContact O-N 3.09Å; T4213-V4215 PolarHBondContact O-N 3.32Å; T4213-V4215 WeakPolarHBondContact OG1-CG2 3.42Å | ||
| 4214 | I | 68.3 | Low | 72.4 | Confident | 104.5 Ų | 104.5 | 86.6 Ų | 86.6 | 54% | 0.536 | 41% | 0.414 | S | S | . | . | trans | -84 | 113.2 | 171.2 | -55.5 | 170.6 | 0 | 0 | 0 | 107.7 | L4162 Q4163 | L4162-I4214 WeakPolarHBondContact O-CA 3.43Å; Q4163-I4214 VanDerWaalsContact OE1-CD1 3.29Å; Q4163-I4214 VanDerWaalsContact OE1-CG1 3.28Å | ||
| 4215 | V | 67.2 | Low | 72.4 | Confident | 39.5 Ų | 39.5 | 80.9 Ų | 80.9 | 24% | 0.239 | 39% | 0.389 | C | S | . | . | B | Isolated β-bridge | trans | -127.2 | 141.1 | -170.1 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | L4162 M4167 L4208 T4213 | L4162-V4215 PolarHBondContact N-O 3.34Å; L4162-V4215 PolarHBondContact O-N 3.16Å; M4167-V4215 HydrophobicContact CE-CB 4.28Å; L4208-V4215 HydrophobicContact CD1-CB 4.4Å; L4208-V4215 HydrophobicContact CD1-CG1 4.29Å; L4208-V4215 HydrophobicContact CD1-CG2 4.45Å; L4208-V4215 HydrophobicContact CD2-CG1 4.38Å; L4208-V4215 HydrophobicContact CD2-CG2 4Å; T4213-V4215 PolarHBondContact O-N 3.32Å; T4213-V4215 WeakPolarHBondContact OG1-CG2 3.42Å |
| 4216 | K | 70 | Confident | 72.2 | Confident | 159.5 Ų | 159.5 | 83.1 Ų | 83.1 | 69% | 0.693 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -82.9 | 115 | 165.4 | -63.4 | -167.5 | 174.6 | 173.7 | 0 | 108 | N4160 D4218 | N4160-K4216 WeakPolarHBondContact O-CA 3.36Å; N4160-K4216 WeakPolarHBondContact O-CB 3.23Å; N4160-K4216 VanDerWaalsContact O-CG 3.25Å; N4160-K4216 WeakPolarHBondContact O-CG 3.16Å; K4216-D4218 PolarHBondContact O-N 3.33Å |
| 4217 | L | 66.6 | Low | 71.9 | Confident | 24 Ų | 24 | 83.1 Ų | 83.1 | 13% | 0.126 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 133.7 | 178.5 | -65.3 | 176.2 | 0 | 0 | 0 | 110.5 | L4157 L4162 L4221 R4222 L4225 | L4157-L4217 HydrophobicContact CD2-CD1 4.28Å; L4162-L4217 HydrophobicContact CD1-CD1 3.32Å; L4162-L4217 VanDerWaalsContact CD1-CD1 3.41Å; L4162-L4217 HydrophobicContact CD1-CD2 4.29Å; L4162-L4217 HydrophobicContact CD1-CG 3.74Å; L4217-L4221 HydrophobicContact CB-CD2 4.31Å; L4217-L4221 HydrophobicContact CD2-CD2 3.86Å; L4217-L4221 HydrophobicContact CG-CD2 4.24Å; L4217-R4222 HydrophobicContact CB-CB 4.28Å; L4217-L4225 HydrophobicContact CD1-CD1 4.29Å |
| 4218 | D | 70.6 | Confident | 71.8 | Confident | 116 Ų | 116 | 77.9 Ų | 77.9 | 62% | 0.62 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 141.1 | 170.2 | -135.4 | -18.8 | 0 | 0 | 0 | 110.1 | K4216 Q4220 L4221 R4222 | K4216-D4218 PolarHBondContact O-N 3.33Å; D4218-Q4220 PolarHBondContact O-N 3.2Å; D4218-Q4220 VanDerWaalsContact O-N 3.13Å; D4218-Q4220 PolarHBondContact OD1-N 2.96Å; D4218-L4221 HydrophobicContact CB-CB 4.29Å; D4218-L4221 PolarHBondContact O-N 3.22Å; D4218-R4222 PolarHBondContact O-N 3.05Å |
| 4219 | K | 72.5 | Confident | 71.7 | Confident | 185 Ų | 185 | 76.3 Ų | 76.3 | 80% | 0.804 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -54.3 | -36.3 | -179.5 | -71.8 | -176.1 | 178.9 | -180 | 0 | 112 | H4223 | K4219-H4223 VanDerWaalsContact O-CB 3.29Å; K4219-H4223 WeakPolarHBondContact O-CB 3.39Å; K4219-H4223 PolarHBondContact O-N 3.12Å; K4219-H4223 VanDerWaalsContact O-N 3.12Å |
| 4220 | Q | 72.9 | Confident | 71.4 | Confident | 149 Ų | 149 | 78.1 Ų | 78.1 | 70% | 0.696 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -68.7 | -45.1 | 178.1 | -118.7 | 176.6 | -5.4 | 0 | 0 | 111.8 | D4218 H4223 T4224 | D4218-Q4220 PolarHBondContact O-N 3.2Å; D4218-Q4220 VanDerWaalsContact O-N 3.13Å; D4218-Q4220 PolarHBondContact OD1-N 2.96Å; Q4220-H4223 PolarHBondContact O-N 3.31Å; Q4220-H4223 VanDerWaalsContact O-N 3.13Å; Q4220-T4224 WeakPolarHBondContact O-CB 3.37Å; Q4220-T4224 PolarHBondContact O-N 3.39Å; Q4220-T4224 PolarHBondContact O-OG1 3.26Å |
| 4221 | L | 73.4 | Confident | 71.3 | Confident | 21 Ų | 21 | 75.4 Ų | 75.4 | 11% | 0.11 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.9 | -44 | 178.8 | -162.4 | 139.3 | 0 | 0 | 0 | 111 | A4201 K4204 L4217 D4218 H4223 T4224 L4225 | A4201-L4221 HydrophobicContact CB-CD1 3.9Å; A4201-L4221 HydrophobicContact CB-CD2 4.44Å; A4201-L4221 HydrophobicContact CB-CG 4.28Å; K4204-L4221 HydrophobicContact CB-CD1 3.99Å; K4204-L4221 HydrophobicContact CD-CD1 4.18Å; L4217-L4221 HydrophobicContact CB-CD2 4.31Å; L4217-L4221 HydrophobicContact CD2-CD2 3.86Å; L4217-L4221 HydrophobicContact CG-CD2 4.24Å; D4218-L4221 HydrophobicContact CB-CB 4.29Å; D4218-L4221 PolarHBondContact O-N 3.22Å; L4221-H4223 VanDerWaalsContact C-N 3.32Å; L4221-H4223 PolarHBondContact O-N 2.85Å; L4221-T4224 PolarHBondContact O-N 3.05Å; L4221-T4224 PolarHBondContact O-OG1 2.96Å; L4221-L4225 HydrophobicContact CD2-CD1 3.6Å; L4221-L4225 VanDerWaalsContact CD2-CD1 3.42Å; L4221-L4225 HydrophobicContact CD2-CG 3.86Å; L4221-L4225 HydrophobicContact CG-CD1 4.18Å; L4221-L4225 WeakPolarHBondContact O-CB 3.19Å; L4221-L4225 WeakPolarHBondContact O-CG 3.41Å; L4221-L4225 PolarHBondContact O-N 2.76Å |
| 4222 | R | 72.1 | Confident | 71.2 | Confident | 76.5 Ų | 76.5 | 69.7 Ų | 69.7 | 29% | 0.289 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.8 | -40.1 | 174 | -176.7 | 175.5 | 171.5 | 170.4 | 0.2 | 112.2 | L4157 A4158 N4160 L4217 D4218 L4226 | L4157-R4222 WeakPolarHBondContact O-CD 3.33Å; L4157-R4222 PolarHBondContact O-NE 3.25Å; L4157-R4222 PolarHBondContact O-NH1 3.4Å; L4157-R4222 PolarHBondContact O-NH2 3.09Å; L4157-R4222 VanDerWaalsContact O-NH2 3.13Å; A4158-R4222 VanDerWaalsContact CA-NH2 3.29Å; A4158-R4222 PolarHBondContact O-NH2 3.34Å; N4160-R4222 PolarHBondContact OD1-NH1 3.42Å; L4217-R4222 HydrophobicContact CB-CB 4.28Å; D4218-R4222 PolarHBondContact O-N 3.05Å; R4222-L4226 WeakPolarHBondContact O-CB 3.43Å; R4222-L4226 PolarHBondContact O-N 3.28Å; R4222-L4226 VanDerWaalsContact O-N 3.11Å |
| 4223 | H | 73.1 | Confident | 71.2 | Confident | 99 Ų | 99 | 61.5 Ų | 61.5 | 46% | 0.458 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.6 | -41 | 177.9 | -174.2 | 50.9 | 0 | 0 | 0 | 112.4 | K4219 Q4220 L4221 L4226 L4227 | K4219-H4223 VanDerWaalsContact O-CB 3.29Å; K4219-H4223 WeakPolarHBondContact O-CB 3.39Å; K4219-H4223 PolarHBondContact O-N 3.12Å; K4219-H4223 VanDerWaalsContact O-N 3.12Å; Q4220-H4223 PolarHBondContact O-N 3.31Å; Q4220-H4223 VanDerWaalsContact O-N 3.13Å; L4221-H4223 VanDerWaalsContact C-N 3.32Å; L4221-H4223 PolarHBondContact O-N 2.85Å; H4223-L4226 PolarHBondContact O-N 3.02Å; H4223-L4227 WeakPolarHBondContact NE2-CD1 3.1Å; H4223-L4227 WeakPolarHBondContact O-CG 3.31Å; H4223-L4227 PolarHBondContact O-N 3.07Å |
| 4224 | T | 75.3 | Confident | 71.3 | Confident | 35 Ų | 35 | 61.5 Ų | 61.5 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 176.8 | 0.1 | 0 | 0 | 0 | 0 | 111.6 | E4198 A4201 Q4220 L4221 L4226 L4227 L4228 | E4198-T4224 HydrophobicContact CG-CG2 3.93Å; A4201-T4224 HydrophobicContact CB-CG2 4.34Å; Q4220-T4224 WeakPolarHBondContact O-CB 3.37Å; Q4220-T4224 PolarHBondContact O-N 3.39Å; Q4220-T4224 PolarHBondContact O-OG1 3.26Å; L4221-T4224 PolarHBondContact O-N 3.05Å; L4221-T4224 PolarHBondContact O-OG1 2.96Å; T4224-L4226 PolarHBondContact O-N 2.69Å; T4224-L4227 PolarHBondContact O-N 3.17Å; T4224-L4228 VanDerWaalsContact O-CB 3.32Å; T4224-L4228 WeakPolarHBondContact O-CB 3.31Å; T4224-L4228 PolarHBondContact O-N 3.15Å |
| 4225 | L | 75.8 | Confident | 71.3 | Confident | 0.5 Ų | 0.5 | 57 Ų | 57 | 0% | 0.003 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65 | -38 | 175.4 | -67.4 | 169.6 | 0 | 0 | 0 | 112.6 | L4157 I4170 I4174 A4201 L4202 L4205 L4217 L4221 L4228 S4229 | L4157-L4225 HydrophobicContact CD1-CB 4.28Å; L4157-L4225 HydrophobicContact CD2-CB 3.99Å; L4157-L4225 HydrophobicContact CD2-CD1 4.14Å; I4170-L4225 HydrophobicContact CG2-CD1 4.43Å; I4174-L4225 HydrophobicContact CD1-CD2 3.84Å; A4201-L4225 HydrophobicContact CB-CD2 4.42Å; L4202-L4225 HydrophobicContact CD2-CD2 4.1Å; L4205-L4225 HydrophobicContact CD1-CD1 3.46Å; L4205-L4225 HydrophobicContact CD1-CD2 3.96Å; L4205-L4225 HydrophobicContact CD1-CG 4.36Å; L4205-L4225 HydrophobicContact CG-CD1 4.37Å; L4217-L4225 HydrophobicContact CD1-CD1 4.29Å; L4221-L4225 HydrophobicContact CD2-CD1 3.6Å; L4221-L4225 VanDerWaalsContact CD2-CD1 3.42Å; L4221-L4225 HydrophobicContact CD2-CG 3.86Å; L4221-L4225 HydrophobicContact CG-CD1 4.18Å; L4221-L4225 WeakPolarHBondContact O-CB 3.19Å; L4221-L4225 WeakPolarHBondContact O-CG 3.41Å; L4221-L4225 PolarHBondContact O-N 2.76Å; L4225-L4228 PolarHBondContact O-N 3.2Å; L4225-S4229 WeakPolarHBondContact O-CB 3.26Å; L4225-S4229 PolarHBondContact O-N 3.21Å; L4225-S4229 PolarHBondContact O-OG 2.76Å |
| 4226 | L | 74 | Confident | 71.4 | Confident | 46 Ų | 46 | 55.1 Ų | 55.1 | 24% | 0.241 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 176.6 | -166.2 | 94.7 | 0 | 0 | 0 | 111.5 | L4157 R4222 H4223 T4224 S4229 Q4230 | L4157-L4226 HydrophobicContact CB-CD1 4.32Å; L4157-L4226 HydrophobicContact CD1-CB 4.24Å; L4157-L4226 HydrophobicContact CD1-CD1 4Å; R4222-L4226 WeakPolarHBondContact O-CB 3.43Å; R4222-L4226 PolarHBondContact O-N 3.28Å; R4222-L4226 VanDerWaalsContact O-N 3.11Å; H4223-L4226 PolarHBondContact O-N 3.02Å; T4224-L4226 PolarHBondContact O-N 2.69Å; L4226-S4229 PolarHBondContact O-N 3.13Å; L4226-S4229 PolarHBondContact O-OG 3.2Å; L4226-Q4230 WeakPolarHBondContact O-CB 3.42Å; L4226-Q4230 VanDerWaalsContact O-CG 3.28Å; L4226-Q4230 WeakPolarHBondContact O-CG 3.33Å; L4226-Q4230 PolarHBondContact O-N 3.15Å |
| 4227 | L | 71.7 | Confident | 71.3 | Confident | 68 Ų | 68 | 49.3 Ų | 49.3 | 36% | 0.356 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.4 | -41.9 | 175.8 | -75.1 | 169.5 | 0 | 0 | 0 | 111.8 | H4223 T4224 S4229 Q4230 R4231 | H4223-L4227 WeakPolarHBondContact NE2-CD1 3.1Å; H4223-L4227 WeakPolarHBondContact O-CG 3.31Å; H4223-L4227 PolarHBondContact O-N 3.07Å; T4224-L4227 PolarHBondContact O-N 3.17Å; L4227-S4229 PolarHBondContact O-N 2.97Å; L4227-Q4230 PolarHBondContact O-N 3.32Å; L4227-R4231 WeakPolarHBondContact O-CB 3.29Å; L4227-R4231 PolarHBondContact O-N 3.27Å |
| 4228 | L | 76 | Confident | 71.5 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.7 | -46.5 | 176.2 | 176.6 | 106.2 | 0 | 0 | 0 | 111.4 | I4174 F4194 E4198 L4202 T4224 L4225 Q4230 R4231 L4232 | I4174-L4228 HydrophobicContact CB-CD2 4.33Å; I4174-L4228 HydrophobicContact CD1-CD2 4.07Å; I4174-L4228 HydrophobicContact CG1-CD2 3.8Å; I4174-L4228 HydrophobicContact CG2-CD2 3.8Å; F4194-L4228 HydrophobicContact CD1-CD1 3.69Å; F4194-L4228 HydrophobicContact CD1-CD2 4.44Å; F4194-L4228 HydrophobicContact CE1-CD1 3.76Å; F4194-L4228 HydrophobicContact CE1-CD2 4.36Å; F4194-L4228 HydrophobicContact CE1-CG 4.27Å; E4198-L4228 HydrophobicContact CB-CD1 3.61Å; E4198-L4228 HydrophobicContact CB-CD2 4.29Å; E4198-L4228 HydrophobicContact CG-CB 4.41Å; E4198-L4228 HydrophobicContact CG-CD1 3.98Å; E4198-L4228 HydrophobicContact CG-CD2 4.38Å; L4202-L4228 HydrophobicContact CD1-CD2 4.39Å; L4202-L4228 HydrophobicContact CD2-CD2 4.49Å; T4224-L4228 VanDerWaalsContact O-CB 3.32Å; T4224-L4228 WeakPolarHBondContact O-CB 3.31Å; T4224-L4228 PolarHBondContact O-N 3.15Å; L4225-L4228 PolarHBondContact O-N 3.2Å; L4228-Q4230 VanDerWaalsContact C-N 3.29Å; L4228-Q4230 PolarHBondContact O-N 2.91Å; L4228-R4231 PolarHBondContact O-N 3.23Å; L4228-L4232 HydrophobicContact CD1-CD1 3.95Å; L4228-L4232 HydrophobicContact CD1-CG 4.05Å; L4228-L4232 HydrophobicContact CD2-CD1 3.79Å; L4228-L4232 HydrophobicContact CD2-CG 4.48Å; L4228-L4232 HydrophobicContact CG-CD1 4.16Å; L4228-L4232 HydrophobicContact CG-CG 4.46Å; L4228-L4232 WeakPolarHBondContact O-CG 3.21Å; L4228-L4232 PolarHBondContact O-N 3.36Å |
| 4229 | S | 70.5 | Confident | 71.3 | Confident | 3.5 Ų | 3.5 | 45.3 Ų | 45.3 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66 | -35.1 | 178.8 | 67.4 | 0 | 0 | 0 | 0 | 113 | L4153 L4225 L4226 L4227 R4231 G4233 | L4153-S4229 WeakPolarHBondContact CD2-OG 3.48Å; L4225-S4229 WeakPolarHBondContact O-CB 3.26Å; L4225-S4229 PolarHBondContact O-N 3.21Å; L4225-S4229 PolarHBondContact O-OG 2.76Å; L4226-S4229 PolarHBondContact O-N 3.13Å; L4226-S4229 PolarHBondContact O-OG 3.2Å; L4227-S4229 PolarHBondContact O-N 2.97Å; S4229-R4231 VanDerWaalsContact C-N 3.35Å; S4229-G4233 WeakPolarHBondContact O-CA 3.39Å; S4229-G4233 PolarHBondContact O-N 2.93Å |
| 4230 | Q | 67.7 | Low | 71.3 | Confident | 62.5 Ų | 62.5 | 36.7 Ų | 36.7 | 29% | 0.292 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66.4 | -43 | 172.8 | -73.7 | 174 | 1.2 | 0 | 0 | 111.6 | L4226 L4227 L4228 L4234 | L4226-Q4230 WeakPolarHBondContact O-CB 3.42Å; L4226-Q4230 VanDerWaalsContact O-CG 3.28Å; L4226-Q4230 WeakPolarHBondContact O-CG 3.33Å; L4226-Q4230 PolarHBondContact O-N 3.15Å; L4227-Q4230 PolarHBondContact O-N 3.32Å; L4228-Q4230 VanDerWaalsContact C-N 3.29Å; L4228-Q4230 PolarHBondContact O-N 2.91Å; Q4230-L4234 WeakPolarHBondContact O-CB 3.39Å; Q4230-L4234 VanDerWaalsContact O-CG 3.32Å; Q4230-L4234 WeakPolarHBondContact O-CG 3.24Å; Q4230-L4234 PolarHBondContact O-N 3.32Å |
| 4231 | R | 73 | Confident | 71.2 | Confident | 46 Ų | 46 | 31.8 Ų | 31.8 | 17% | 0.174 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61 | -54.3 | 176 | -174.2 | 171.9 | 81.2 | -126 | 2.7 | 110.8 | Y4191 R4193 E4198 L4227 L4228 S4229 G4233 L4234 L4235 | Y4191-R4231 PolarHBondContact O-NE 3.28Å; R4193-R4231 PolarHBondContact O-NH2 3.05Å; E4198-R4231 IonicContact OE1-CZ 3.33Å; E4198-R4231 IonicContact OE1-NH1 3.25Å; E4198-R4231 PolarHBondContact OE1-NH1 3.11Å; E4198-R4231 IonicContact OE1-NH2 2.85Å; E4198-R4231 PolarHBondContact OE1-NH2 2.96Å; E4198-R4231 IonicContact OE2-CZ 3.52Å; E4198-R4231 IonicContact OE2-NH1 3.5Å; E4198-R4231 PolarHBondContact OE2-NH1 3.44Å; E4198-R4231 IonicContact OE2-NH2 3.76Å; E4198-R4231 PolarHBondContact OE2-NH2 2.93Å; L4227-R4231 WeakPolarHBondContact O-CB 3.29Å; L4227-R4231 PolarHBondContact O-N 3.27Å; L4228-R4231 PolarHBondContact O-N 3.23Å; S4229-R4231 VanDerWaalsContact C-N 3.35Å; R4231-G4233 PolarHBondContact O-N 3.24Å; R4231-L4234 PolarHBondContact O-N 3.32Å; R4231-L4235 HydrophobicContact CG-CD1 4.07Å; R4231-L4235 WeakPolarHBondContact O-CB 3.37Å; R4231-L4235 VanDerWaalsContact O-CG 3.27Å; R4231-L4235 WeakPolarHBondContact O-CG 3.34Å; R4231-L4235 PolarHBondContact O-N 3.06Å |
| 4232 | L | 71.1 | Confident | 71 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.6 | -39.7 | -179.3 | -64 | 178 | 0 | 0 | 0 | 112.2 | I4174 L4177 R4178 F4194 L4228 L4234 L4235 A4236 | I4174-L4232 HydrophobicContact CG2-CD1 4.05Å; L4177-L4232 HydrophobicContact CB-CB 3.77Å; L4177-L4232 HydrophobicContact CB-CD1 4.29Å; L4177-L4232 HydrophobicContact CD1-CB 4.25Å; R4178-L4232 HydrophobicContact CB-CD1 4.19Å; R4178-L4232 HydrophobicContact CB-CD2 4.44Å; R4178-L4232 HydrophobicContact CG-CD2 4.47Å; F4194-L4232 HydrophobicContact CE1-CD1 4.08Å; F4194-L4232 HydrophobicContact CE1-CD2 4.47Å; L4228-L4232 HydrophobicContact CD1-CD1 3.95Å; L4228-L4232 HydrophobicContact CD1-CG 4.05Å; L4228-L4232 HydrophobicContact CD2-CD1 3.79Å; L4228-L4232 HydrophobicContact CD2-CG 4.48Å; L4228-L4232 HydrophobicContact CG-CD1 4.16Å; L4228-L4232 HydrophobicContact CG-CG 4.46Å; L4228-L4232 WeakPolarHBondContact O-CG 3.21Å; L4228-L4232 PolarHBondContact O-N 3.36Å; L4232-L4234 PolarHBondContact O-N 3.17Å; L4232-L4235 HydrophobicContact CD2-CD1 4.45Å; L4232-L4235 PolarHBondContact O-N 3.07Å; L4232-A4236 VanDerWaalsContact O-CB 3.3Å; L4232-A4236 WeakPolarHBondContact O-CB 3.24Å; L4232-A4236 PolarHBondContact O-N 3.18Å |
| 4233 | G | 68.4 | Low | 71.1 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.2 | -39.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S4229 R4231 A4236 L4237 | S4229-G4233 WeakPolarHBondContact O-CA 3.39Å; S4229-G4233 PolarHBondContact O-N 2.93Å; R4231-G4233 PolarHBondContact O-N 3.24Å; G4233-A4236 PolarHBondContact O-N 2.86Å; G4233-L4237 WeakPolarHBondContact O-CB 3.42Å; G4233-L4237 WeakPolarHBondContact O-CD1 3.41Å; G4233-L4237 VanDerWaalsContact O-CG 3.27Å; G4233-L4237 WeakPolarHBondContact O-CG 3.19Å; G4233-L4237 PolarHBondContact O-N 2.83Å |
| 4234 | L | 68.2 | Low | 71.2 | Confident | 53.5 Ų | 53.5 | 26 Ų | 26 | 28% | 0.28 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -68.4 | -40.5 | 173.8 | -76.4 | 169 | 0 | 0 | 0 | 112.3 | Q4230 R4231 L4232 L4237 Q4238 Y4343 I4371 | Q4230-L4234 WeakPolarHBondContact O-CB 3.39Å; Q4230-L4234 VanDerWaalsContact O-CG 3.32Å; Q4230-L4234 WeakPolarHBondContact O-CG 3.24Å; Q4230-L4234 PolarHBondContact O-N 3.32Å; R4231-L4234 PolarHBondContact O-N 3.32Å; L4232-L4234 PolarHBondContact O-N 3.17Å; L4234-L4237 PolarHBondContact O-N 3.02Å; L4234-Q4238 WeakPolarHBondContact O-CB 3.27Å; L4234-Q4238 PolarHBondContact O-N 3.26Å; L4234-Y4343 HydrophobicContact CD2-CD2 3.59Å; L4234-Y4343 HydrophobicContact CD2-CE2 3.62Å; L4234-Y4343 HydrophobicContact CG-CD2 4.33Å; L4234-Y4343 HydrophobicContact CG-CE2 4.03Å; L4234-I4371 HydrophobicContact CD1-CD1 3.57Å; L4234-I4371 HydrophobicContact CD1-CG1 4.09Å |
| 4235 | L | 67 | Low | 71.2 | Confident | 10.5 Ų | 10.5 | 30.8 Ų | 30.8 | 6% | 0.055 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 176.2 | -74.4 | 176.1 | 0 | 0 | 0 | 111.7 | L4184 A4192 R4231 L4232 Q4238 A4239 W4368 | L4184-L4235 HydrophobicContact CD1-CB 3.85Å; L4184-L4235 HydrophobicContact CD1-CD1 4.05Å; L4184-L4235 HydrophobicContact CD1-CD2 3.58Å; L4184-L4235 VanDerWaalsContact CD1-CD2 3.49Å; L4184-L4235 HydrophobicContact CD1-CG 4.12Å; L4184-L4235 HydrophobicContact CD2-CD2 4.25Å; A4192-L4235 HydrophobicContact CB-CD1 4.33Å; R4231-L4235 HydrophobicContact CG-CD1 4.07Å; R4231-L4235 WeakPolarHBondContact O-CB 3.37Å; R4231-L4235 VanDerWaalsContact O-CG 3.27Å; R4231-L4235 WeakPolarHBondContact O-CG 3.34Å; R4231-L4235 PolarHBondContact O-N 3.06Å; L4232-L4235 HydrophobicContact CD2-CD1 4.45Å; L4232-L4235 PolarHBondContact O-N 3.07Å; L4235-Q4238 WeakPolarHBondContact O-CB 3.49Å; L4235-Q4238 PolarHBondContact O-N 3.35Å; L4235-A4239 PolarHBondContact O-N 3Å; L4235-W4368 HydrophobicContact CD2-CH2 3.98Å |
| 4236 | A | 69.2 | Low | 71.2 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.9 | -39.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V4146 A4180 L4232 G4233 Q4238 A4239 N4240 | V4146-A4236 HydrophobicContact CB-CB 4.44Å; V4146-A4236 HydrophobicContact CG1-CB 3.8Å; V4146-A4236 HydrophobicContact CG2-CB 4Å; A4180-A4236 HydrophobicContact CB-CB 3.87Å; L4232-A4236 VanDerWaalsContact O-CB 3.3Å; L4232-A4236 WeakPolarHBondContact O-CB 3.24Å; L4232-A4236 PolarHBondContact O-N 3.18Å; G4233-A4236 PolarHBondContact O-N 2.86Å; A4236-Q4238 VanDerWaalsContact C-N 3.3Å; A4236-Q4238 PolarHBondContact O-N 3.42Å; A4236-A4239 PolarHBondContact O-N 3.21Å; A4236-N4240 PolarHBondContact O-N 3.09Å; A4236-N4240 PolarHBondContact O-OD1 2.92Å |
| 4237 | L | 68.8 | Low | 71.2 | Confident | 36.5 Ų | 36.5 | 31.1 Ų | 31.1 | 19% | 0.191 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.8 | -35.9 | 172.2 | -77.9 | 169 | 0 | 0 | 0 | 112.7 | R4147 I4150 G4233 L4234 N4240 K4241 L4338 Y4343 | R4147-L4237 HydrophobicContact CG-CD2 4.12Å; I4150-L4237 HydrophobicContact CD1-CD1 3.69Å; I4150-L4237 HydrophobicContact CD1-CG 3.89Å; G4233-L4237 WeakPolarHBondContact O-CB 3.42Å; G4233-L4237 WeakPolarHBondContact O-CD1 3.41Å; G4233-L4237 VanDerWaalsContact O-CG 3.27Å; G4233-L4237 WeakPolarHBondContact O-CG 3.19Å; G4233-L4237 PolarHBondContact O-N 2.83Å; L4234-L4237 PolarHBondContact O-N 3.02Å; L4237-N4240 PolarHBondContact O-N 3.34Å; L4237-K4241 WeakPolarHBondContact O-CG 3.29Å; L4237-K4241 PolarHBondContact O-N 3.39Å; L4237-K4241 VanDerWaalsContact O-N 3.1Å; L4237-L4338 HydrophobicContact CD2-CD1 4.28Å; L4237-L4338 HydrophobicContact CD2-CD2 4.14Å; L4237-Y4343 HydrophobicContact CD1-CE2 3.83Å |
| 4238 | Q | 69.3 | Low | 71.5 | Confident | 49.5 Ų | 49.5 | 28.7 Ų | 28.7 | 23% | 0.231 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.5 | -43 | 174.6 | -176.9 | 59.1 | 37.2 | 0 | 0 | 111.2 | L4184 L4188 L4234 L4235 A4236 N4240 K4241 D4242 W4368 | L4184-Q4238 HydrophobicContact CD2-CB 4.29Å; L4184-Q4238 HydrophobicContact CD2-CG 4.18Å; L4188-Q4238 HydrophobicContact CD1-CG 4.08Å; L4234-Q4238 WeakPolarHBondContact O-CB 3.27Å; L4234-Q4238 PolarHBondContact O-N 3.26Å; L4235-Q4238 WeakPolarHBondContact O-CB 3.49Å; L4235-Q4238 PolarHBondContact O-N 3.35Å; A4236-Q4238 VanDerWaalsContact C-N 3.3Å; A4236-Q4238 PolarHBondContact O-N 3.42Å; Q4238-N4240 VanDerWaalsContact C-N 3.32Å; Q4238-N4240 PolarHBondContact O-N 2.89Å; Q4238-K4241 WeakPolarHBondContact O-CB 3.23Å; Q4238-K4241 PolarHBondContact O-N 3.01Å; Q4238-K4241 VanDerWaalsContact O-N 3.14Å; Q4238-D4242 VanDerWaalsContact NE2-CG 3.34Å; Q4238-D4242 PolarHBondContact NE2-OD1 2.96Å; Q4238-D4242 VanDerWaalsContact NE2-OD1 3.14Å; Q4238-D4242 PolarHBondContact NE2-OD2 3.05Å; Q4238-D4242 VanDerWaalsContact NE2-OD2 3.13Å; Q4238-D4242 PolarHBondContact O-N 2.91Å; Q4238-W4368 HydrophobicContact CB-CZ2 3.95Å; Q4238-W4368 HydrophobicContact CG-CZ2 3.96Å |
| 4239 | A | 67.8 | Low | 71.4 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 6% | 0.058 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.3 | -42 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M4143 L4184 L4235 A4236 K4241 D4242 L4243 | M4143-A4239 HydrophobicContact CE-CB 3.77Å; L4184-A4239 HydrophobicContact CD2-CB 4.25Å; L4184-A4239 HydrophobicContact CG-CB 4.31Å; L4235-A4239 PolarHBondContact O-N 3Å; A4236-A4239 PolarHBondContact O-N 3.21Å; A4239-K4241 VanDerWaalsContact C-N 3.34Å; A4239-K4241 PolarHBondContact O-N 3.33Å; A4239-D4242 PolarHBondContact O-N 2.78Å; A4239-L4243 VanDerWaalsContact O-CB 3.32Å; A4239-L4243 WeakPolarHBondContact O-CB 3.31Å; A4239-L4243 PolarHBondContact O-N 3.44Å |
| 4240 | N | 72.5 | Confident | 71.5 | Confident | 5.5 Ų | 5.5 | 33.5 Ų | 33.5 | 3% | 0.029 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.7 | -39.1 | 174.5 | -76.6 | 2.8 | 0 | 0 | 0 | 112.7 | M4143 E4144 A4236 L4237 Q4238 L4243 L4244 L4276 L4338 | M4143-N4240 VanDerWaalsContact CE-OD1 3.23Å; M4143-N4240 WeakPolarHBondContact CE-OD1 3.39Å; M4143-N4240 VanDerWaalsContact CG-OD1 3.29Å; M4143-N4240 WeakPolarHBondContact CG-OD1 3.41Å; M4143-N4240 PolarHBondContact SD-OD1 2.87Å; E4144-N4240 PolarHBondContact O-ND2 2.69Å; A4236-N4240 PolarHBondContact O-N 3.09Å; A4236-N4240 PolarHBondContact O-OD1 2.92Å; L4237-N4240 PolarHBondContact O-N 3.34Å; Q4238-N4240 VanDerWaalsContact C-N 3.32Å; Q4238-N4240 PolarHBondContact O-N 2.89Å; N4240-L4243 PolarHBondContact O-N 3.25Å; N4240-L4244 PolarHBondContact O-N 3.23Å; N4240-L4244 VanDerWaalsContact O-N 3.14Å; N4240-L4276 HydrophobicContact CB-CD1 4.19Å; N4240-L4276 HydrophobicContact CB-CD2 4.25Å; N4240-L4276 WeakPolarHBondContact OD1-CD1 3.28Å; N4240-L4338 HydrophobicContact CB-CD1 4.02Å; N4240-L4338 HydrophobicContact CB-CD2 4.31Å |
| 4241 | K | 69.8 | Low | 72 | Confident | 46 Ų | 46 | 30.7 Ų | 30.7 | 20% | 0.2 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.1 | -44.4 | 175.5 | -124.9 | 176.2 | 179.3 | 174.6 | 0 | 112.2 | L4237 Q4238 A4239 L4243 L4244 R4245 L4338 E4339 | L4237-K4241 WeakPolarHBondContact O-CG 3.29Å; L4237-K4241 PolarHBondContact O-N 3.39Å; L4237-K4241 VanDerWaalsContact O-N 3.1Å; Q4238-K4241 WeakPolarHBondContact O-CB 3.23Å; Q4238-K4241 PolarHBondContact O-N 3.01Å; Q4238-K4241 VanDerWaalsContact O-N 3.14Å; A4239-K4241 VanDerWaalsContact C-N 3.34Å; A4239-K4241 PolarHBondContact O-N 3.33Å; K4241-L4243 VanDerWaalsContact C-N 3.27Å; K4241-L4243 PolarHBondContact O-N 2.98Å; K4241-L4244 PolarHBondContact O-N 3.25Å; K4241-R4245 WeakPolarHBondContact O-CB 3.3Å; K4241-R4245 PolarHBondContact O-N 3.31Å; K4241-R4245 VanDerWaalsContact O-N 3.15Å; K4241-L4338 HydrophobicContact CB-CD2 3.79Å; K4241-L4338 WeakPolarHBondContact CE-O 3.33Å; K4241-L4338 HydrophobicContact CG-CB 3.99Å; K4241-L4338 HydrophobicContact CG-CD1 4.02Å; K4241-L4338 HydrophobicContact CG-CD2 4.4Å; K4241-L4338 PolarHBondContact NZ-O 3.14Å; K4241-E4339 WeakPolarHBondContact CE-OE1 3.12Å; K4241-E4339 IonicContact NZ-OE1 3.34Å; K4241-E4339 PolarHBondContact NZ-OE1 2.93Å |
| 4242 | D | 69.7 | Low | 71.8 | Confident | 44 Ų | 44 | 31.2 Ų | 31.2 | 24% | 0.235 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.7 | -34.5 | -179.8 | -67.4 | -26.3 | 0 | 0 | 0 | 111.2 | Q4238 A4239 R4245 T4246 | Q4238-D4242 VanDerWaalsContact NE2-CG 3.34Å; Q4238-D4242 PolarHBondContact NE2-OD1 2.96Å; Q4238-D4242 VanDerWaalsContact NE2-OD1 3.14Å; Q4238-D4242 PolarHBondContact NE2-OD2 3.05Å; Q4238-D4242 VanDerWaalsContact NE2-OD2 3.13Å; Q4238-D4242 PolarHBondContact O-N 2.91Å; A4239-D4242 PolarHBondContact O-N 2.78Å; D4242-R4245 PolarHBondContact O-N 2.92Å; D4242-T4246 WeakPolarHBondContact O-CB 3.31Å; D4242-T4246 WeakPolarHBondContact O-CG2 3.48Å; D4242-T4246 PolarHBondContact O-N 3.23Å; D4242-T4246 PolarHBondContact O-OG1 3.37Å |
| 4243 | L | 75.3 | Confident | 71.7 | Confident | 30 Ų | 30 | 36 Ų | 36 | 16% | 0.157 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.5 | -48 | 174.1 | -173.3 | 111 | 0 | 0 | 0 | 112.4 | M4143 A4239 N4240 K4241 R4245 T4246 G4247 A4273 | M4143-L4243 HydrophobicContact CB-CD1 3.95Å; M4143-L4243 HydrophobicContact CG-CD1 3.76Å; A4239-L4243 VanDerWaalsContact O-CB 3.32Å; A4239-L4243 WeakPolarHBondContact O-CB 3.31Å; A4239-L4243 PolarHBondContact O-N 3.44Å; N4240-L4243 PolarHBondContact O-N 3.25Å; K4241-L4243 VanDerWaalsContact C-N 3.27Å; K4241-L4243 PolarHBondContact O-N 2.98Å; L4243-R4245 VanDerWaalsContact C-N 3.32Å; L4243-R4245 PolarHBondContact O-N 3.28Å; L4243-T4246 PolarHBondContact O-N 3.26Å; L4243-T4246 PolarHBondContact O-OG1 2.94Å; L4243-G4247 PolarHBondContact O-N 2.79Å; L4243-A4273 VanDerWaalsContact CD2-CA 3.42Å; L4243-A4273 HydrophobicContact CD2-CB 3.81Å; L4243-A4273 HydrophobicContact CG-CB 4.46Å |
| 4244 | L | 74.9 | Confident | 71.6 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.4 | -45.1 | 175.3 | -74.9 | 177.5 | 0 | 0 | 0 | 111.7 | N4240 K4241 G4247 L4248 A4273 L4276 A4277 I4280 I4331 A4334 Q4335 L4338 | N4240-L4244 PolarHBondContact O-N 3.23Å; N4240-L4244 VanDerWaalsContact O-N 3.14Å; K4241-L4244 PolarHBondContact O-N 3.25Å; L4244-G4247 PolarHBondContact O-N 3.23Å; L4244-L4248 VanDerWaalsContact O-CB 3.31Å; L4244-L4248 WeakPolarHBondContact O-CB 3.42Å; L4244-L4248 PolarHBondContact O-N 3.21Å; L4244-A4273 HydrophobicContact CD2-CB 4.46Å; L4244-A4273 WeakPolarHBondContact CD2-O 3.37Å; L4244-L4276 HydrophobicContact CD1-CD2 3.83Å; L4244-L4276 HydrophobicContact CD2-CB 4.37Å; L4244-L4276 HydrophobicContact CD2-CD2 3.62Å; L4244-L4276 VanDerWaalsContact CD2-CD2 3.45Å; L4244-L4276 HydrophobicContact CG-CD2 3.45Å; L4244-L4276 VanDerWaalsContact CG-CD2 3.45Å; L4244-A4277 HydrophobicContact CD2-CB 4.02Å; L4244-I4280 HydrophobicContact CD1-CD1 3.91Å; L4244-I4331 HydrophobicContact CD2-CG2 4.22Å; L4244-A4334 HydrophobicContact CD1-CB 4.13Å; L4244-A4334 HydrophobicContact CD2-CB 4.4Å; L4244-Q4335 HydrophobicContact CD1-CB 4.3Å; L4244-L4338 HydrophobicContact CD1-CD1 3.82Å; L4244-L4338 HydrophobicContact CD1-CD2 4.02Å |
| 4245 | R | 75.6 | Confident | 71.3 | Confident | 135.5 Ų | 135.5 | 35.4 Ų | 35.4 | 51% | 0.511 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.5 | -46.9 | 179.9 | -178.9 | 179.3 | 174.8 | 169.7 | 0.7 | 111.7 | K4241 D4242 L4243 L4248 E4249 | K4241-R4245 WeakPolarHBondContact O-CB 3.3Å; K4241-R4245 PolarHBondContact O-N 3.31Å; K4241-R4245 VanDerWaalsContact O-N 3.15Å; D4242-R4245 PolarHBondContact O-N 2.92Å; L4243-R4245 VanDerWaalsContact C-N 3.32Å; L4243-R4245 PolarHBondContact O-N 3.28Å; R4245-L4248 PolarHBondContact O-N 3.43Å; R4245-E4249 IonicContact CZ-OE1 2.7Å; R4245-E4249 IonicContact NE-OE1 3.65Å; R4245-E4249 PolarHBondContact NE-OE1 3.21Å; R4245-E4249 IonicContact NH2-OE1 2.68Å; R4245-E4249 PolarHBondContact NH2-OE1 3.46Å; R4245-E4249 WeakPolarHBondContact O-CB 3.39Å; R4245-E4249 WeakPolarHBondContact O-CG 3.37Å; R4245-E4249 PolarHBondContact O-N 3.18Å |
| 4246 | T | 74.1 | Confident | 70.7 | Confident | 52.5 Ų | 52.5 | 40.9 Ų | 40.9 | 32% | 0.322 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65 | -43.5 | 178.9 | -2.8 | 0 | 0 | 0 | 0 | 111.1 | D4242 L4243 L4248 E4249 I4250 | D4242-T4246 WeakPolarHBondContact O-CB 3.31Å; D4242-T4246 WeakPolarHBondContact O-CG2 3.48Å; D4242-T4246 PolarHBondContact O-N 3.23Å; D4242-T4246 PolarHBondContact O-OG1 3.37Å; L4243-T4246 PolarHBondContact O-N 3.26Å; L4243-T4246 PolarHBondContact O-OG1 2.94Å; T4246-L4248 VanDerWaalsContact C-N 3.35Å; T4246-L4248 PolarHBondContact O-N 3.03Å; T4246-E4249 PolarHBondContact O-N 3.3Å; T4246-I4250 HydrophobicContact CG2-CD1 3.8Å; T4246-I4250 WeakPolarHBondContact O-CB 3.18Å; T4246-I4250 WeakPolarHBondContact O-CD1 3.42Å; T4246-I4250 WeakPolarHBondContact O-CG1 3.36Å; T4246-I4250 PolarHBondContact O-N 3.39Å |
| 4247 | G | 75.4 | Confident | 69.9 | Low | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.9 | -43.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L4243 L4244 W4251 | L4243-G4247 PolarHBondContact O-N 2.79Å; L4244-G4247 PolarHBondContact O-N 3.23Å; G4247-W4251 VanDerWaalsContact O-CB 3.28Å; G4247-W4251 WeakPolarHBondContact O-CB 3.44Å; G4247-W4251 PolarHBondContact O-N 3.17Å |
| 4248 | L | 76.8 | Confident | 69.2 | Low | 17.5 Ų | 17.5 | 48.9 Ų | 48.9 | 9% | 0.092 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.4 | -46.2 | 175.8 | -175.1 | 98.2 | 0 | 0 | 0 | 112.3 | L4244 R4245 T4246 I4250 W4251 L4252 T4328 I4331 E4332 | L4244-L4248 VanDerWaalsContact O-CB 3.31Å; L4244-L4248 WeakPolarHBondContact O-CB 3.42Å; L4244-L4248 PolarHBondContact O-N 3.21Å; R4245-L4248 PolarHBondContact O-N 3.43Å; T4246-L4248 VanDerWaalsContact C-N 3.35Å; T4246-L4248 PolarHBondContact O-N 3.03Å; L4248-I4250 VanDerWaalsContact C-N 3.35Å; L4248-I4250 PolarHBondContact O-N 3.36Å; L4248-W4251 PolarHBondContact O-N 3.09Å; L4248-L4252 HydrophobicContact CD1-CD1 4.25Å; L4248-L4252 HydrophobicContact CD1-CG 4.37Å; L4248-L4252 HydrophobicContact CD2-CD1 3.98Å; L4248-L4252 HydrophobicContact CD2-CG 4.5Å; L4248-L4252 HydrophobicContact CG-CD1 3.94Å; L4248-L4252 HydrophobicContact CG-CG 4.39Å; L4248-L4252 VanDerWaalsContact O-CB 3.32Å; L4248-L4252 WeakPolarHBondContact O-CB 3.3Å; L4248-L4252 WeakPolarHBondContact O-CG 3.29Å; L4248-L4252 PolarHBondContact O-N 3.38Å; L4248-T4328 HydrophobicContact CD1-CG2 4.27Å; L4248-I4331 HydrophobicContact CB-CG2 3.82Å; L4248-I4331 HydrophobicContact CD1-CB 4Å; L4248-I4331 HydrophobicContact CD1-CG2 3.88Å; L4248-I4331 HydrophobicContact CG-CG2 4.41Å; L4248-E4332 HydrophobicContact CD1-CB 4.48Å; L4248-E4332 HydrophobicContact CD1-CG 3.7Å; L4248-E4332 HydrophobicContact CD2-CG 3.73Å; L4248-E4332 HydrophobicContact CG-CG 4.47Å |
| 4249 | E | 74.8 | Confident | 68.5 | Low | 85 Ų | 85 | 53.3 Ų | 53.3 | 40% | 0.397 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 178.4 | -76.3 | 176.9 | -170.2 | 0 | 0 | 111.1 | R4245 T4246 N4253 | R4245-E4249 IonicContact CZ-OE1 2.7Å; R4245-E4249 IonicContact NE-OE1 3.65Å; R4245-E4249 PolarHBondContact NE-OE1 3.21Å; R4245-E4249 IonicContact NH2-OE1 2.68Å; R4245-E4249 PolarHBondContact NH2-OE1 3.46Å; R4245-E4249 WeakPolarHBondContact O-CB 3.39Å; R4245-E4249 WeakPolarHBondContact O-CG 3.37Å; R4245-E4249 PolarHBondContact O-N 3.18Å; T4246-E4249 PolarHBondContact O-N 3.3Å; E4249-N4253 WeakPolarHBondContact O-CB 3.13Å; E4249-N4253 PolarHBondContact O-N 3.02Å; E4249-N4253 PolarHBondContact O-ND2 3.2Å; E4249-N4253 VanDerWaalsContact O-ND2 3.16Å |
| 4250 | I | 73.3 | Confident | 68.3 | Low | 22 Ų | 22 | 53.9 Ų | 53.9 | 11% | 0.113 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 176.7 | -63.2 | 161.7 | 0 | 0 | 0 | 111 | T4246 L4248 N4253 A4254 F4262 Q4266 Q4269 I4270 | T4246-I4250 HydrophobicContact CG2-CD1 3.8Å; T4246-I4250 WeakPolarHBondContact O-CB 3.18Å; T4246-I4250 WeakPolarHBondContact O-CD1 3.42Å; T4246-I4250 WeakPolarHBondContact O-CG1 3.36Å; T4246-I4250 PolarHBondContact O-N 3.39Å; L4248-I4250 VanDerWaalsContact C-N 3.35Å; L4248-I4250 PolarHBondContact O-N 3.36Å; I4250-N4253 PolarHBondContact O-N 3.05Å; I4250-A4254 PolarHBondContact O-N 3.19Å; I4250-A4254 VanDerWaalsContact O-N 3.15Å; I4250-F4262 HydrophobicContact CG2-CD1 3.99Å; I4250-F4262 HydrophobicContact CG2-CE1 4.07Å; I4250-Q4266 HydrophobicContact CD1-CB 4.4Å; I4250-Q4266 HydrophobicContact CD1-CG 4.13Å; I4250-Q4266 HydrophobicContact CG1-CG 4.39Å; I4250-Q4266 HydrophobicContact CG2-CB 3.78Å; I4250-Q4266 HydrophobicContact CG2-CG 3.73Å; I4250-Q4269 HydrophobicContact CD1-CB 4.04Å; I4250-I4270 HydrophobicContact CB-CD1 4.36Å; I4250-I4270 HydrophobicContact CB-CG1 4.39Å; I4250-I4270 HydrophobicContact CG2-CD1 3.63Å; I4250-I4270 HydrophobicContact CG2-CG1 4.12Å |
| 4251 | W | 76.6 | Confident | 67.8 | Low | 2.5 Ų | 2.5 | 58.4 Ų | 58.4 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 179.2 | -173.6 | -96.8 | 0 | 0 | 0 | 112.3 | G4247 L4248 A4254 S4255 L4260 F4262 I4270 V4301 I4317 C4324 V4327 | G4247-W4251 VanDerWaalsContact O-CB 3.28Å; G4247-W4251 WeakPolarHBondContact O-CB 3.44Å; G4247-W4251 PolarHBondContact O-N 3.17Å; L4248-W4251 PolarHBondContact O-N 3.09Å; W4251-A4254 PolarHBondContact O-N 3Å; W4251-S4255 PolarHBondContact NE1-OG 3.07Å; W4251-S4255 WeakPolarHBondContact O-CB 3.45Å; W4251-S4255 PolarHBondContact O-N 2.8Å; W4251-S4255 PolarHBondContact O-OG 3.45Å; W4251-L4260 HydrophobicContact CH2-CD2 4.49Å; W4251-F4262 HydrophobicContact CE3-CZ 4.02Å; W4251-F4262 HydrophobicContact CZ3-CE2 4.38Å; W4251-F4262 HydrophobicContact CZ3-CZ 4.18Å; W4251-I4270 HydrophobicContact CE3-CD1 4.09Å; W4251-I4270 HydrophobicContact CE3-CG1 4.46Å; W4251-I4270 HydrophobicContact CE3-CG2 3.78Å; W4251-I4270 HydrophobicContact CZ3-CG2 4.07Å; W4251-V4301 HydrophobicContact CH2-CG1 4.1Å; W4251-V4301 HydrophobicContact CZ3-CG1 4.37Å; W4251-I4317 HydrophobicContact CH2-CD1 4.17Å; W4251-I4317 HydrophobicContact CZ3-CD1 3.77Å; W4251-C4324 PolarHBondContact NE1-O 3.45Å; W4251-V4327 HydrophobicContact CD2-CB 4.33Å; W4251-V4327 HydrophobicContact CD2-CG1 3.83Å; W4251-V4327 VanDerWaalsContact CE2-CG1 3.46Å; W4251-V4327 HydrophobicContact CE3-CG1 4.1Å; W4251-V4327 HydrophobicContact CG-CG1 4.04Å; W4251-V4327 HydrophobicContact CH2-CB 4.29Å; W4251-V4327 HydrophobicContact CH2-CG1 4.19Å; W4251-V4327 HydrophobicContact CH2-CG2 4.11Å; W4251-V4327 HydrophobicContact CZ2-CB 3.61Å; W4251-V4327 HydrophobicContact CZ2-CG1 3.6Å; W4251-V4327 HydrophobicContact CZ2-CG2 3.78Å; W4251-V4327 HydrophobicContact CZ3-CG1 4.31Å |
| 4252 | L | 69.7 | Low | 67.7 | Low | 57.5 Ų | 57.5 | 56.4 Ų | 56.4 | 30% | 0.301 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 177.4 | -79.1 | 174.3 | 0 | 0 | 0 | 111.7 | L4248 A4254 S4255 L4256 T4328 | L4248-L4252 HydrophobicContact CD1-CD1 4.25Å; L4248-L4252 HydrophobicContact CD1-CG 4.37Å; L4248-L4252 HydrophobicContact CD2-CD1 3.98Å; L4248-L4252 HydrophobicContact CD2-CG 4.5Å; L4248-L4252 HydrophobicContact CG-CD1 3.94Å; L4248-L4252 HydrophobicContact CG-CG 4.39Å; L4248-L4252 VanDerWaalsContact O-CB 3.32Å; L4248-L4252 WeakPolarHBondContact O-CB 3.3Å; L4248-L4252 WeakPolarHBondContact O-CG 3.29Å; L4248-L4252 PolarHBondContact O-N 3.38Å; L4252-A4254 PolarHBondContact O-N 2.74Å; L4252-S4255 WeakPolarHBondContact O-CB 3.49Å; L4252-S4255 PolarHBondContact O-N 3.08Å; L4252-S4255 VanDerWaalsContact O-N 3.08Å; L4252-S4255 PolarHBondContact O-OG 3.46Å; L4252-L4256 WeakPolarHBondContact O-CB 3.49Å; L4252-L4256 WeakPolarHBondContact O-CG 3.39Å; L4252-L4256 PolarHBondContact O-N 3Å; L4252-T4328 HydrophobicContact CD2-CG2 3.67Å; L4252-T4328 HydrophobicContact CG-CG2 4.31Å |
| 4253 | N | 68.1 | Low | 67.6 | Low | 101 Ų | 101 | 58 Ų | 58 | 54% | 0.54 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 177.5 | -72.6 | -24.4 | 0 | 0 | 0 | 111.7 | E4249 I4250 S4255 L4256 D4257 | E4249-N4253 WeakPolarHBondContact O-CB 3.13Å; E4249-N4253 PolarHBondContact O-N 3.02Å; E4249-N4253 PolarHBondContact O-ND2 3.2Å; E4249-N4253 VanDerWaalsContact O-ND2 3.16Å; I4250-N4253 PolarHBondContact O-N 3.05Å; N4253-S4255 VanDerWaalsContact C-N 3.32Å; N4253-S4255 PolarHBondContact O-N 3.25Å; N4253-L4256 PolarHBondContact O-N 3Å; N4253-D4257 WeakPolarHBondContact O-CB 3.47Å; N4253-D4257 PolarHBondContact O-N 3.35Å |
| 4254 | A | 65.9 | Low | 67 | Low | 10.5 Ų | 10.5 | 61.3 Ų | 61.3 | 9% | 0.087 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.6 | -32.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I4250 W4251 L4252 S4258 K4259 L4260 F4262 | I4250-A4254 PolarHBondContact O-N 3.19Å; I4250-A4254 VanDerWaalsContact O-N 3.15Å; W4251-A4254 PolarHBondContact O-N 3Å; L4252-A4254 PolarHBondContact O-N 2.74Å; A4254-S4258 PolarHBondContact O-N 3.41Å; A4254-S4258 VanDerWaalsContact O-N 3.15Å; A4254-K4259 WeakPolarHBondContact CB-O 3.14Å; A4254-K4259 PolarHBondContact O-N 2.73Å; A4254-L4260 HydrophobicContact CB-CD2 4.27Å; A4254-F4262 HydrophobicContact CB-CD1 4.33Å; A4254-F4262 HydrophobicContact CB-CE1 3.3Å; A4254-F4262 HydrophobicContact CB-CE2 4.48Å; A4254-F4262 HydrophobicContact CB-CZ 3.47Å; A4254-F4262 VanDerWaalsContact CB-CZ 3.47Å |
| 4255 | S | 62.1 | Low | 66.6 | Low | 29.5 Ų | 29.5 | 67.1 Ų | 67.1 | 21% | 0.206 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70 | -36.2 | 176.5 | 10.3 | 0 | 0 | 0 | 0 | 112.6 | W4251 L4252 N4253 D4257 S4258 | W4251-S4255 PolarHBondContact NE1-OG 3.07Å; W4251-S4255 WeakPolarHBondContact O-CB 3.45Å; W4251-S4255 PolarHBondContact O-N 2.8Å; W4251-S4255 PolarHBondContact O-OG 3.45Å; L4252-S4255 WeakPolarHBondContact O-CB 3.49Å; L4252-S4255 PolarHBondContact O-N 3.08Å; L4252-S4255 VanDerWaalsContact O-N 3.08Å; L4252-S4255 PolarHBondContact O-OG 3.46Å; N4253-S4255 VanDerWaalsContact C-N 3.32Å; N4253-S4255 PolarHBondContact O-N 3.25Å; S4255-D4257 VanDerWaalsContact C-N 3.34Å; S4255-S4258 PolarHBondContact O-N 3.34Å |
| 4256 | L | 54.6 | Low | 66.4 | Low | 126 Ų | 126 | 63.8 Ų | 63.8 | 66% | 0.66 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -69 | -40.7 | 176.9 | -73 | 169.7 | 0 | 0 | 0 | 111.8 | L4252 N4253 S4258 | L4252-L4256 WeakPolarHBondContact O-CB 3.49Å; L4252-L4256 WeakPolarHBondContact O-CG 3.39Å; L4252-L4256 PolarHBondContact O-N 3Å; N4253-L4256 PolarHBondContact O-N 3Å; L4256-S4258 PolarHBondContact O-N 3.27Å |
| 4257 | D | 52.7 | Low | 66.1 | Low | 116.5 Ų | 116.5 | 61.5 Ų | 61.5 | 62% | 0.623 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -1.8 | 179.9 | -76.9 | -15.2 | 0 | 0 | 0 | 113.8 | N4253 S4255 K4259 | N4253-D4257 WeakPolarHBondContact O-CB 3.47Å; N4253-D4257 PolarHBondContact O-N 3.35Å; S4255-D4257 VanDerWaalsContact C-N 3.34Å; D4257-K4259 HydrophobicContact CB-CB 4.48Å; D4257-K4259 PolarHBondContact O-N 3.4Å; D4257-K4259 VanDerWaalsContact O-N 3.15Å |
| 4258 | S | 53.4 | Low | 65.8 | Low | 89.5 Ų | 89.5 | 62.7 Ų | 62.7 | 63% | 0.626 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 17 | -174.9 | 66.4 | 0 | 0 | 0 | 0 | 115 | A4254 S4255 L4256 | A4254-S4258 PolarHBondContact O-N 3.41Å; A4254-S4258 VanDerWaalsContact O-N 3.15Å; S4255-S4258 PolarHBondContact O-N 3.34Å; L4256-S4258 PolarHBondContact O-N 3.27Å |
| 4259 | K | 54.7 | Low | 65.5 | Low | 141 Ų | 141 | 65.1 Ų | 65.1 | 61% | 0.613 | 34% | 0.337 | S | S | * | . | trans | -123.1 | 97.4 | -179.2 | -71.5 | 178.3 | -176.9 | 174 | 0 | 109.6 | A4254 D4257 I4261 | A4254-K4259 WeakPolarHBondContact CB-O 3.14Å; A4254-K4259 PolarHBondContact O-N 2.73Å; D4257-K4259 HydrophobicContact CB-CB 4.48Å; D4257-K4259 PolarHBondContact O-N 3.4Å; D4257-K4259 VanDerWaalsContact O-N 3.15Å; K4259-I4261 HydrophobicContact CB-CD1 4.2Å; K4259-I4261 HydrophobicContact CB-CG1 4.28Å; K4259-I4261 HydrophobicContact CD-CD1 4.47Å; K4259-I4261 PolarHBondContact O-N 3.03Å | ||
| 4260 | L | 63.4 | Low | 65.6 | Low | 20.5 Ų | 20.5 | 61 Ų | 61 | 11% | 0.107 | 32% | 0.318 | C | S | . | . | trans | -77.7 | 50.9 | 176.3 | -62.8 | 175.1 | 0 | 0 | 0 | 111.9 | W4251 A4254 F4262 E4316 I4317 | W4251-L4260 HydrophobicContact CH2-CD2 4.49Å; A4254-L4260 HydrophobicContact CB-CD2 4.27Å; L4260-F4262 HydrophobicContact CB-CE2 4.02Å; L4260-F4262 HydrophobicContact CB-CZ 4.46Å; L4260-F4262 HydrophobicContact CD2-CE2 4.27Å; L4260-F4262 HydrophobicContact CD2-CZ 4.04Å; L4260-F4262 WeakPolarHBondContact O-CE2 3.32Å; L4260-E4316 VanDerWaalsContact O-CA 3.3Å; L4260-E4316 WeakPolarHBondContact O-CA 3.36Å; L4260-I4317 HydrophobicContact CB-CB 4.14Å; L4260-I4317 HydrophobicContact CD1-CB 4.37Å; L4260-I4317 PolarHBondContact O-N 3.33Å; L4260-I4317 VanDerWaalsContact O-N 3.09Å | ||
| 4261 | I | 63.2 | Low | 65.8 | Low | 99.5 Ų | 99.5 | 61.1 Ų | 61.1 | 51% | 0.51 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 113 | 179.3 | -57.4 | 173.7 | 0 | 0 | 0 | 108 | K4259 A4315 E4316 | K4259-I4261 HydrophobicContact CB-CD1 4.2Å; K4259-I4261 HydrophobicContact CB-CG1 4.28Å; K4259-I4261 HydrophobicContact CD-CD1 4.47Å; K4259-I4261 PolarHBondContact O-N 3.03Å; I4261-A4315 WeakPolarHBondContact CA-O 3.45Å; I4261-E4316 HydrophobicContact CG1-CB 4.31Å; I4261-E4316 HydrophobicContact CG1-CG 4.19Å |
| 4262 | F | 68.2 | Low | 65.6 | Low | 4.5 Ų | 4.5 | 63.2 Ų | 63.2 | 2% | 0.02 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 138.9 | -175.5 | -58.5 | -78.1 | 0 | 0 | 0 | 111.4 | I4250 W4251 A4254 L4260 Q4266 A4267 I4270 G4314 A4315 I4317 | I4250-F4262 HydrophobicContact CG2-CD1 3.99Å; I4250-F4262 HydrophobicContact CG2-CE1 4.07Å; W4251-F4262 HydrophobicContact CE3-CZ 4.02Å; W4251-F4262 HydrophobicContact CZ3-CE2 4.38Å; W4251-F4262 HydrophobicContact CZ3-CZ 4.18Å; A4254-F4262 HydrophobicContact CB-CD1 4.33Å; A4254-F4262 HydrophobicContact CB-CE1 3.3Å; A4254-F4262 HydrophobicContact CB-CE2 4.48Å; A4254-F4262 HydrophobicContact CB-CZ 3.47Å; A4254-F4262 VanDerWaalsContact CB-CZ 3.47Å; L4260-F4262 HydrophobicContact CB-CE2 4.02Å; L4260-F4262 HydrophobicContact CB-CZ 4.46Å; L4260-F4262 HydrophobicContact CD2-CE2 4.27Å; L4260-F4262 HydrophobicContact CD2-CZ 4.04Å; L4260-F4262 WeakPolarHBondContact O-CE2 3.32Å; F4262-Q4266 HydrophobicContact CB-CB 4.14Å; F4262-Q4266 HydrophobicContact CD1-CB 4.3Å; F4262-A4267 HydrophobicContact CB-CB 4.14Å; F4262-I4270 HydrophobicContact CD1-CD1 3.35Å; F4262-I4270 VanDerWaalsContact CD1-CD1 3.41Å; F4262-I4270 HydrophobicContact CD2-CD1 4.21Å; F4262-I4270 HydrophobicContact CE1-CD1 3.2Å; F4262-I4270 HydrophobicContact CE2-CD1 4.31Å; F4262-I4270 HydrophobicContact CG-CD1 3.96Å; F4262-I4270 HydrophobicContact CZ-CD1 3.72Å; F4262-G4314 WeakPolarHBondContact O-CA 3.41Å; F4262-A4315 PolarHBondContact N-O 3.07Å; F4262-A4315 PolarHBondContact O-N 3.03Å; F4262-I4317 HydrophobicContact CD2-CD1 3.93Å; F4262-I4317 HydrophobicContact CD2-CG1 4.09Å; F4262-I4317 HydrophobicContact CE2-CD1 3.5Å; F4262-I4317 VanDerWaalsContact CE2-CD1 3.48Å; F4262-I4317 HydrophobicContact CE2-CG1 3.93Å; F4262-I4317 HydrophobicContact CZ-CD1 4.47Å |
| 4263 | T | 66.6 | Low | 65.9 | Low | 77.5 Ų | 77.5 | 60.5 Ų | 60.5 | 48% | 0.475 | 31% | 0.311 | S | S | . | . | trans | -66.8 | 160 | 165.6 | 61.8 | 0 | 0 | 0 | 0 | 110.4 | Q4265 Q4266 A4267 | T4263-Q4265 VanDerWaalsContact C-N 3.34Å; T4263-Q4265 PolarHBondContact O-N 3.05Å; T4263-Q4266 WeakPolarHBondContact O-CB 3.19Å; T4263-Q4266 PolarHBondContact O-N 3.34Å; T4263-Q4266 VanDerWaalsContact O-N 3.15Å; T4263-Q4266 WeakPolarHBondContact OG1-CB 3.44Å; T4263-Q4266 VanDerWaalsContact OG1-CD 3.23Å; T4263-Q4266 VanDerWaalsContact OG1-CG 3.27Å; T4263-Q4266 WeakPolarHBondContact OG1-CG 3.33Å; T4263-Q4266 PolarHBondContact OG1-N 2.79Å; T4263-Q4266 PolarHBondContact OG1-OE1 3.17Å; T4263-A4267 PolarHBondContact O-N 2.86Å | ||
| 4264 | K | 63.5 | Low | 66.4 | Low | 99 Ų | 99 | 55.7 Ų | 55.7 | 43% | 0.43 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -52.2 | -46.4 | -179 | -174.2 | -169.4 | 175.2 | -159.6 | 0 | 112.5 | A4267 Q4268 | K4264-A4267 PolarHBondContact O-N 3.21Å; K4264-Q4268 WeakPolarHBondContact O-CB 3.47Å; K4264-Q4268 WeakPolarHBondContact O-CG 3.36Å; K4264-Q4268 PolarHBondContact O-N 3.34Å |
| 4265 | Q | 65.6 | Low | 66.8 | Low | 121.5 Ų | 121.5 | 58.1 Ų | 58.1 | 57% | 0.568 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -64.7 | -41.8 | 179 | -72.8 | 175 | -20.7 | 0 | 0 | 111.9 | D4138 T4263 Q4268 Q4269 | D4138-Q4265 PolarHBondContact OD1-NE2 2.9Å; T4263-Q4265 VanDerWaalsContact C-N 3.34Å; T4263-Q4265 PolarHBondContact O-N 3.05Å; Q4265-Q4268 PolarHBondContact O-N 3.3Å; Q4265-Q4269 WeakPolarHBondContact O-CB 3.48Å; Q4265-Q4269 VanDerWaalsContact O-CG 3.26Å; Q4265-Q4269 WeakPolarHBondContact O-CG 3.36Å; Q4265-Q4269 PolarHBondContact O-N 2.91Å |
| 4266 | Q | 71 | Confident | 67.3 | Low | 65.5 Ų | 65.5 | 56.9 Ų | 56.9 | 31% | 0.306 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 176.1 | -74.9 | 169.2 | -32.6 | 0 | 0 | 112.5 | I4250 F4262 T4263 Q4268 Q4269 I4270 | I4250-Q4266 HydrophobicContact CD1-CB 4.4Å; I4250-Q4266 HydrophobicContact CD1-CG 4.13Å; I4250-Q4266 HydrophobicContact CG1-CG 4.39Å; I4250-Q4266 HydrophobicContact CG2-CB 3.78Å; I4250-Q4266 HydrophobicContact CG2-CG 3.73Å; F4262-Q4266 HydrophobicContact CB-CB 4.14Å; F4262-Q4266 HydrophobicContact CD1-CB 4.3Å; T4263-Q4266 WeakPolarHBondContact O-CB 3.19Å; T4263-Q4266 PolarHBondContact O-N 3.34Å; T4263-Q4266 VanDerWaalsContact O-N 3.15Å; T4263-Q4266 WeakPolarHBondContact OG1-CB 3.44Å; T4263-Q4266 VanDerWaalsContact OG1-CD 3.23Å; T4263-Q4266 VanDerWaalsContact OG1-CG 3.27Å; T4263-Q4266 WeakPolarHBondContact OG1-CG 3.33Å; T4263-Q4266 PolarHBondContact OG1-N 2.79Å; T4263-Q4266 PolarHBondContact OG1-OE1 3.17Å; Q4266-Q4268 VanDerWaalsContact C-N 3.33Å; Q4266-Q4268 PolarHBondContact O-N 2.71Å; Q4266-Q4269 PolarHBondContact O-N 3.11Å; Q4266-I4270 WeakPolarHBondContact O-CG1 3.42Å; Q4266-I4270 PolarHBondContact O-N 3.03Å |
| 4267 | A | 68.5 | Low | 68.4 | Low | 6 Ų | 6 | 50.9 Ų | 50.9 | 5% | 0.05 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F4262 T4263 K4264 Y4271 L4305 | F4262-A4267 HydrophobicContact CB-CB 4.14Å; T4263-A4267 PolarHBondContact O-N 2.86Å; K4264-A4267 PolarHBondContact O-N 3.21Å; A4267-Y4271 VanDerWaalsContact O-CB 3.28Å; A4267-Y4271 WeakPolarHBondContact O-CB 3.26Å; A4267-Y4271 PolarHBondContact O-N 3.1Å; A4267-L4305 HydrophobicContact CB-CD2 4.27Å |
| 4268 | Q | 68.8 | Low | 69.4 | Low | 24.5 Ų | 24.5 | 47.7 Ų | 47.7 | 11% | 0.114 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.4 | -49.2 | 172.2 | -75.2 | 176.7 | -29.3 | 0 | 0 | 111.6 | L4140 K4264 Q4265 Q4266 I4270 Y4271 Y4272 V4309 | L4140-Q4268 HydrophobicContact CD1-CB 3.95Å; K4264-Q4268 WeakPolarHBondContact O-CB 3.47Å; K4264-Q4268 WeakPolarHBondContact O-CG 3.36Å; K4264-Q4268 PolarHBondContact O-N 3.34Å; Q4265-Q4268 PolarHBondContact O-N 3.3Å; Q4266-Q4268 VanDerWaalsContact C-N 3.33Å; Q4266-Q4268 PolarHBondContact O-N 2.71Å; Q4268-I4270 PolarHBondContact O-N 3.1Å; Q4268-Y4271 PolarHBondContact O-N 2.99Å; Q4268-Y4272 HydrophobicContact CB-CD2 4.44Å; Q4268-Y4272 HydrophobicContact CB-CE2 4.23Å; Q4268-Y4272 WeakPolarHBondContact O-CD2 3.4Å; Q4268-Y4272 PolarHBondContact O-N 3.11Å; Q4268-V4309 HydrophobicContact CG-CB 4.4Å; Q4268-V4309 HydrophobicContact CG-CG1 4.02Å; Q4268-V4309 HydrophobicContact CG-CG2 4.11Å |
| 4269 | Q | 71.8 | Confident | 70.2 | Confident | 67 Ų | 67 | 46 Ų | 46 | 31% | 0.313 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.1 | -42.4 | 178.9 | -74.7 | 169.4 | -24.2 | 0 | 0 | 112.5 | L4140 I4250 Q4265 Q4266 A4273 | L4140-Q4269 HydrophobicContact CD1-CG 3.87Å; I4250-Q4269 HydrophobicContact CD1-CB 4.04Å; Q4265-Q4269 WeakPolarHBondContact O-CB 3.48Å; Q4265-Q4269 VanDerWaalsContact O-CG 3.26Å; Q4265-Q4269 WeakPolarHBondContact O-CG 3.36Å; Q4265-Q4269 PolarHBondContact O-N 2.91Å; Q4266-Q4269 PolarHBondContact O-N 3.11Å; Q4269-A4273 VanDerWaalsContact O-CB 3.25Å; Q4269-A4273 WeakPolarHBondContact O-CB 3.36Å; Q4269-A4273 PolarHBondContact O-N 3.21Å |
| 4270 | I | 75 | Confident | 70.8 | Confident | 0.5 Ų | 0.5 | 39.8 Ų | 39.8 | 0% | 0.003 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.8 | -45.3 | 175.1 | -69.4 | 162.3 | 0 | 0 | 0 | 111.1 | I4250 W4251 F4262 Q4266 Q4268 Y4272 A4273 L4274 L4305 | I4250-I4270 HydrophobicContact CB-CD1 4.36Å; I4250-I4270 HydrophobicContact CB-CG1 4.39Å; I4250-I4270 HydrophobicContact CG2-CD1 3.63Å; I4250-I4270 HydrophobicContact CG2-CG1 4.12Å; W4251-I4270 HydrophobicContact CE3-CD1 4.09Å; W4251-I4270 HydrophobicContact CE3-CG1 4.46Å; W4251-I4270 HydrophobicContact CE3-CG2 3.78Å; W4251-I4270 HydrophobicContact CZ3-CG2 4.07Å; F4262-I4270 HydrophobicContact CD1-CD1 3.35Å; F4262-I4270 VanDerWaalsContact CD1-CD1 3.41Å; F4262-I4270 HydrophobicContact CD2-CD1 4.21Å; F4262-I4270 HydrophobicContact CE1-CD1 3.2Å; F4262-I4270 HydrophobicContact CE2-CD1 4.31Å; F4262-I4270 HydrophobicContact CG-CD1 3.96Å; F4262-I4270 HydrophobicContact CZ-CD1 3.72Å; Q4266-I4270 WeakPolarHBondContact O-CG1 3.42Å; Q4266-I4270 PolarHBondContact O-N 3.03Å; Q4268-I4270 PolarHBondContact O-N 3.1Å; I4270-Y4272 PolarHBondContact O-N 3.24Å; I4270-A4273 PolarHBondContact O-N 3.15Å; I4270-L4274 HydrophobicContact CG2-CD1 3.79Å; I4270-L4274 HydrophobicContact CG2-CG 4.22Å; I4270-L4274 WeakPolarHBondContact O-CB 3.34Å; I4270-L4274 VanDerWaalsContact O-CG 3.29Å; I4270-L4274 WeakPolarHBondContact O-CG 3.17Å; I4270-L4274 PolarHBondContact O-N 3.23Å; I4270-L4305 HydrophobicContact CB-CD1 4.39Å; I4270-L4305 HydrophobicContact CG2-CD1 3.76Å |
| 4271 | Y | 78.6 | Confident | 71 | Confident | 23 Ų | 23 | 39 Ų | 39 | 9% | 0.09 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.4 | -49.5 | 179 | 175.2 | -99.4 | 0 | 0 | 0 | 111.6 | A4267 Q4268 L4274 Y4275 I4302 L4305 K4306 V4309 | A4267-Y4271 VanDerWaalsContact O-CB 3.28Å; A4267-Y4271 WeakPolarHBondContact O-CB 3.26Å; A4267-Y4271 PolarHBondContact O-N 3.1Å; Q4268-Y4271 PolarHBondContact O-N 2.99Å; Y4271-L4274 PolarHBondContact O-N 2.99Å; Y4271-Y4275 WeakPolarHBondContact O-CB 3.44Å; Y4271-Y4275 PolarHBondContact O-N 3.15Å; Y4271-I4302 HydrophobicContact CD2-CG2 4.32Å; Y4271-I4302 HydrophobicContact CE2-CG2 3.73Å; Y4271-L4305 HydrophobicContact CD2-CB 3.79Å; Y4271-L4305 HydrophobicContact CG-CB 4.39Å; Y4271-K4306 HydrophobicContact CE2-CB 3.85Å; Y4271-K4306 HydrophobicContact CE2-CG 4.31Å; Y4271-V4309 HydrophobicContact CD1-CG2 4.09Å; Y4271-V4309 HydrophobicContact CD2-CG2 4.39Å; Y4271-V4309 HydrophobicContact CG-CG2 3.86Å |
| 4272 | Y | 72.2 | Confident | 70.9 | Confident | 47 Ų | 47 | 38.7 Ų | 38.7 | 18% | 0.184 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.8 | -35.5 | 178.4 | -65.7 | -59.9 | 0 | 0 | 0 | 112.5 | L4140 P4142 Q4268 I4270 L4274 Y4275 L4276 | L4140-Y4272 HydrophobicContact CB-CD2 3.89Å; L4140-Y4272 HydrophobicContact CB-CE2 3.98Å; L4140-Y4272 VanDerWaalsContact CB-CE2 3.47Å; L4140-Y4272 HydrophobicContact CD1-CD2 4.29Å; L4140-Y4272 HydrophobicContact CD1-CE2 4.12Å; L4140-Y4272 HydrophobicContact CD2-CE2 4.47Å; L4140-Y4272 HydrophobicContact CG-CE2 4.49Å; L4140-Y4272 WeakPolarHBondContact O-CE2 3.27Å; L4140-Y4272 VanDerWaalsContact O-CZ 3.29Å; L4140-Y4272 PolarHBondContact O-OH 3.36Å; P4142-Y4272 HydrophobicContact CB-CE1 4.09Å; Q4268-Y4272 HydrophobicContact CB-CD2 4.44Å; Q4268-Y4272 HydrophobicContact CB-CE2 4.23Å; Q4268-Y4272 WeakPolarHBondContact O-CD2 3.4Å; Q4268-Y4272 PolarHBondContact O-N 3.11Å; I4270-Y4272 PolarHBondContact O-N 3.24Å; Y4272-L4274 VanDerWaalsContact C-N 3.35Å; Y4272-L4274 PolarHBondContact O-N 3Å; Y4272-Y4275 PolarHBondContact O-N 3.4Å; Y4272-L4276 VanDerWaalsContact O-CB 3.31Å; Y4272-L4276 WeakPolarHBondContact O-CB 3.14Å; Y4272-L4276 PolarHBondContact O-N 3.22Å |
| 4273 | A | 76.7 | Confident | 70 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.6 | -40.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L4243 L4244 Q4269 I4270 L4276 A4277 | L4243-A4273 VanDerWaalsContact CD2-CA 3.42Å; L4243-A4273 HydrophobicContact CD2-CB 3.81Å; L4243-A4273 HydrophobicContact CG-CB 4.46Å; L4244-A4273 HydrophobicContact CD2-CB 4.46Å; L4244-A4273 WeakPolarHBondContact CD2-O 3.37Å; Q4269-A4273 VanDerWaalsContact O-CB 3.25Å; Q4269-A4273 WeakPolarHBondContact O-CB 3.36Å; Q4269-A4273 PolarHBondContact O-N 3.21Å; I4270-A4273 PolarHBondContact O-N 3.15Å; A4273-L4276 PolarHBondContact O-N 3.28Å; A4273-A4277 VanDerWaalsContact O-CB 3.28Å; A4273-A4277 WeakPolarHBondContact O-CB 3.47Å; A4273-A4277 PolarHBondContact O-N 3.15Å |
| 4274 | L | 77.3 | Confident | 69 | Low | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.6 | -43 | 175.9 | -76 | 174 | 0 | 0 | 0 | 112.1 | I4270 Y4271 Y4272 A4277 Q4278 V4298 V4301 I4302 L4305 V4327 I4331 | I4270-L4274 HydrophobicContact CG2-CD1 3.79Å; I4270-L4274 HydrophobicContact CG2-CG 4.22Å; I4270-L4274 WeakPolarHBondContact O-CB 3.34Å; I4270-L4274 VanDerWaalsContact O-CG 3.29Å; I4270-L4274 WeakPolarHBondContact O-CG 3.17Å; I4270-L4274 PolarHBondContact O-N 3.23Å; Y4271-L4274 PolarHBondContact O-N 2.99Å; Y4272-L4274 VanDerWaalsContact C-N 3.35Å; Y4272-L4274 PolarHBondContact O-N 3Å; L4274-A4277 PolarHBondContact O-N 3.09Å; L4274-Q4278 WeakPolarHBondContact O-CB 3.39Å; L4274-Q4278 PolarHBondContact O-N 3.18Å; L4274-V4298 HydrophobicContact CD2-CG1 4.11Å; L4274-V4301 HydrophobicContact CD1-CB 4.29Å; L4274-V4301 HydrophobicContact CD1-CG1 3.76Å; L4274-I4302 HydrophobicContact CB-CD1 4.11Å; L4274-I4302 HydrophobicContact CB-CG1 3.86Å; L4274-I4302 HydrophobicContact CD1-CG1 4.3Å; L4274-L4305 HydrophobicContact CD1-CD1 3.84Å; L4274-V4327 HydrophobicContact CD2-CG1 3.67Å; L4274-I4331 HydrophobicContact CD2-CD1 3.85Å; L4274-I4331 HydrophobicContact CD2-CG1 3.91Å; L4274-I4331 HydrophobicContact CG-CD1 4.4Å |
| 4275 | Y | 75.9 | Confident | 68.1 | Low | 62 Ų | 62 | 47.9 Ų | 47.9 | 24% | 0.243 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.9 | -43.9 | 177.9 | -164.3 | -103 | 0 | 0 | 0 | 111.5 | D4098 E4144 Y4271 Y4272 A4277 Q4278 Q4279 I4302 | D4098-Y4275 PolarHBondContact OD1-OH 3.11Å; E4144-Y4275 HydrophobicContact CG-CE1 4.29Å; E4144-Y4275 WeakPolarHBondContact OE1-CE1 3.4Å; E4144-Y4275 PolarHBondContact OE1-OH 2.95Å; Y4271-Y4275 WeakPolarHBondContact O-CB 3.44Å; Y4271-Y4275 PolarHBondContact O-N 3.15Å; Y4272-Y4275 PolarHBondContact O-N 3.4Å; Y4275-A4277 PolarHBondContact O-N 3.46Å; Y4275-Q4278 WeakPolarHBondContact O-CB 3.48Å; Y4275-Q4278 PolarHBondContact O-N 2.9Å; Y4275-Q4278 VanDerWaalsContact O-N 3.16Å; Y4275-Q4279 HydrophobicContact CE1-CG 4.41Å; Y4275-Q4279 VanDerWaalsContact CE1-NE2 3.26Å; Y4275-Q4279 WeakPolarHBondContact O-CG 3.44Å; Y4275-Q4279 PolarHBondContact O-N 3.06Å; Y4275-I4302 HydrophobicContact CD2-CG2 4.42Å |
| 4276 | L | 72.1 | Confident | 67.2 | Low | 4.5 Ų | 4.5 | 46.5 Ų | 46.5 | 2% | 0.024 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -38.9 | 174.1 | -172.7 | 121.9 | 0 | 0 | 0 | 111.7 | M4143 N4240 L4244 Y4272 A4273 Q4278 Q4279 I4280 | M4143-L4276 HydrophobicContact CB-CD1 3.95Å; M4143-L4276 WeakPolarHBondContact O-CD1 3.32Å; N4240-L4276 HydrophobicContact CB-CD1 4.19Å; N4240-L4276 HydrophobicContact CB-CD2 4.25Å; N4240-L4276 WeakPolarHBondContact OD1-CD1 3.28Å; L4244-L4276 HydrophobicContact CD1-CD2 3.83Å; L4244-L4276 HydrophobicContact CD2-CB 4.37Å; L4244-L4276 HydrophobicContact CD2-CD2 3.62Å; L4244-L4276 VanDerWaalsContact CD2-CD2 3.45Å; L4244-L4276 HydrophobicContact CG-CD2 3.45Å; L4244-L4276 VanDerWaalsContact CG-CD2 3.45Å; Y4272-L4276 VanDerWaalsContact O-CB 3.31Å; Y4272-L4276 WeakPolarHBondContact O-CB 3.14Å; Y4272-L4276 PolarHBondContact O-N 3.22Å; A4273-L4276 PolarHBondContact O-N 3.28Å; L4276-Q4278 VanDerWaalsContact C-N 3.33Å; L4276-Q4278 PolarHBondContact O-N 3.15Å; L4276-Q4279 PolarHBondContact O-N 3.24Å; L4276-I4280 HydrophobicContact CD2-CD1 3.61Å; L4276-I4280 HydrophobicContact CG-CD1 3.99Å; L4276-I4280 WeakPolarHBondContact O-CB 3.45Å; L4276-I4280 WeakPolarHBondContact O-CD1 3.31Å; L4276-I4280 VanDerWaalsContact O-CG1 3.23Å; L4276-I4280 WeakPolarHBondContact O-CG1 3.41Å; L4276-I4280 PolarHBondContact O-N 3.32Å |
| 4277 | A | 76.3 | Confident | 66 | Low | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.6 | -38.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L4244 A4273 L4274 Y4275 Q4279 I4280 N4281 F4330 I4331 A4334 | L4244-A4277 HydrophobicContact CD2-CB 4.02Å; A4273-A4277 VanDerWaalsContact O-CB 3.28Å; A4273-A4277 WeakPolarHBondContact O-CB 3.47Å; A4273-A4277 PolarHBondContact O-N 3.15Å; L4274-A4277 PolarHBondContact O-N 3.09Å; Y4275-A4277 PolarHBondContact O-N 3.46Å; A4277-Q4279 VanDerWaalsContact C-N 3.28Å; A4277-Q4279 PolarHBondContact O-N 3.47Å; A4277-I4280 PolarHBondContact O-N 3.19Å; A4277-N4281 VanDerWaalsContact O-CB 3.25Å; A4277-N4281 WeakPolarHBondContact O-CB 3.39Å; A4277-N4281 VanDerWaalsContact O-CG 3.26Å; A4277-N4281 PolarHBondContact O-N 3.08Å; A4277-N4281 PolarHBondContact O-ND2 3.28Å; A4277-F4330 HydrophobicContact CB-CD1 3.9Å; A4277-F4330 HydrophobicContact CB-CE1 3.9Å; A4277-I4331 HydrophobicContact CB-CG1 4.44Å; A4277-A4334 VanDerWaalsContact CA-CB 3.49Å; A4277-A4334 HydrophobicContact CB-CB 3.59Å |
| 4278 | Q | 75.2 | Confident | 64.8 | Low | 48.5 Ų | 48.5 | 54.4 Ų | 54.4 | 23% | 0.227 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 175.6 | -170.2 | -178.8 | 5.7 | 0 | 0 | 111.5 | L4274 Y4275 L4276 I4280 N4281 Y4295 I4302 F4330 | L4274-Q4278 WeakPolarHBondContact O-CB 3.39Å; L4274-Q4278 PolarHBondContact O-N 3.18Å; Y4275-Q4278 WeakPolarHBondContact O-CB 3.48Å; Y4275-Q4278 PolarHBondContact O-N 2.9Å; Y4275-Q4278 VanDerWaalsContact O-N 3.16Å; L4276-Q4278 VanDerWaalsContact C-N 3.33Å; L4276-Q4278 PolarHBondContact O-N 3.15Å; Q4278-I4280 VanDerWaalsContact C-N 3.3Å; Q4278-I4280 PolarHBondContact O-N 2.77Å; Q4278-N4281 VanDerWaalsContact O-O 3.08Å; Q4278-Y4295 HydrophobicContact CG-CD1 4.4Å; Q4278-Y4295 HydrophobicContact CG-CE1 3.91Å; Q4278-Y4295 PolarHBondContact O-OH 3.04Å; Q4278-I4302 HydrophobicContact CB-CD1 4.44Å; Q4278-F4330 HydrophobicContact CB-CE1 4.18Å; Q4278-F4330 HydrophobicContact CB-CZ 4.27Å; Q4278-F4330 HydrophobicContact CG-CZ 4.38Å |
| 4279 | Q | 69.8 | Low | 63.6 | Low | 54.5 Ų | 54.5 | 54.9 Ų | 54.9 | 26% | 0.255 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68 | -37.4 | 175.9 | -69.6 | -177.3 | -9.3 | 0 | 0 | 112.9 | D4098 D4145 Y4275 L4276 A4277 N4281 N4282 | D4098-Q4279 PolarHBondContact OD2-NE2 3.22Å; D4145-Q4279 HydrophobicContact CB-CB 4.12Å; Y4275-Q4279 HydrophobicContact CE1-CG 4.41Å; Y4275-Q4279 VanDerWaalsContact CE1-NE2 3.26Å; Y4275-Q4279 WeakPolarHBondContact O-CG 3.44Å; Y4275-Q4279 PolarHBondContact O-N 3.06Å; L4276-Q4279 PolarHBondContact O-N 3.24Å; A4277-Q4279 VanDerWaalsContact C-N 3.28Å; A4277-Q4279 PolarHBondContact O-N 3.47Å; Q4279-N4281 VanDerWaalsContact C-N 3.33Å; Q4279-N4282 PolarHBondContact O-OD1 3.07Å; Q4279-N4282 VanDerWaalsContact O-OD1 3.13Å |
| 4280 | I | 67.6 | Low | 62.3 | Low | 10.5 Ų | 10.5 | 59.2 Ų | 59.2 | 5% | 0.054 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.2 | -40.7 | 179.5 | -69.5 | 162.3 | 0 | 0 | 0 | 111.6 | R4147 L4244 L4276 A4277 Q4278 N4282 A4334 L4337 L4338 | R4147-I4280 PolarHBondContact NH2-O 2.97Å; L4244-I4280 HydrophobicContact CD1-CD1 3.91Å; L4276-I4280 HydrophobicContact CD2-CD1 3.61Å; L4276-I4280 HydrophobicContact CG-CD1 3.99Å; L4276-I4280 WeakPolarHBondContact O-CB 3.45Å; L4276-I4280 WeakPolarHBondContact O-CD1 3.31Å; L4276-I4280 VanDerWaalsContact O-CG1 3.23Å; L4276-I4280 WeakPolarHBondContact O-CG1 3.41Å; L4276-I4280 PolarHBondContact O-N 3.32Å; A4277-I4280 PolarHBondContact O-N 3.19Å; Q4278-I4280 VanDerWaalsContact C-N 3.3Å; Q4278-I4280 PolarHBondContact O-N 2.77Å; I4280-N4282 VanDerWaalsContact C-N 3.26Å; I4280-N4282 PolarHBondContact O-N 2.77Å; I4280-A4334 HydrophobicContact CB-CB 4.12Å; I4280-A4334 HydrophobicContact CD1-CB 4.28Å; I4280-A4334 HydrophobicContact CG2-CB 4.09Å; I4280-L4337 HydrophobicContact CG2-CB 3.78Å; I4280-L4337 HydrophobicContact CG2-CD1 4.07Å; I4280-L4337 HydrophobicContact CG2-CG 4.49Å; I4280-L4338 HydrophobicContact CD1-CB 4.38Å; I4280-L4338 HydrophobicContact CD1-CD1 3.98Å; I4280-L4338 HydrophobicContact CD1-CD2 3.98Å; I4280-L4338 HydrophobicContact CD1-CG 3.76Å; I4280-L4338 HydrophobicContact CG1-CD2 4.4Å |
| 4281 | N | 67.2 | Low | 60.9 | Low | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -77.1 | 73.7 | 175.8 | -65.4 | -29.5 | 0 | 0 | 0 | 109.4 | A4277 Q4278 Q4279 Y4285 Y4295 F4330 N4333 L4337 | A4277-N4281 VanDerWaalsContact O-CB 3.25Å; A4277-N4281 WeakPolarHBondContact O-CB 3.39Å; A4277-N4281 VanDerWaalsContact O-CG 3.26Å; A4277-N4281 PolarHBondContact O-N 3.08Å; A4277-N4281 PolarHBondContact O-ND2 3.28Å; Q4278-N4281 VanDerWaalsContact O-O 3.08Å; Q4279-N4281 VanDerWaalsContact C-N 3.33Å; N4281-Y4285 HydrophobicContact CB-CD1 4.49Å; N4281-Y4285 HydrophobicContact CB-CG 4.45Å; N4281-Y4295 HydrophobicContact CB-CE2 4.36Å; N4281-Y4295 WeakPolarHBondContact CB-OH 3.44Å; N4281-Y4295 WeakPolarHBondContact O-CE2 3.26Å; N4281-Y4295 PolarHBondContact O-OH 3.03Å; N4281-F4330 HydrophobicContact CB-CE2 4.23Å; N4281-F4330 HydrophobicContact CB-CZ 4.16Å; N4281-F4330 WeakPolarHBondContact ND2-CE1 3.38Å; N4281-F4330 WeakPolarHBondContact ND2-CE2 3.46Å; N4281-F4330 WeakPolarHBondContact ND2-CZ 3.41Å; N4281-F4330 PolarHBondContact ND2-O 2.91Å; N4281-F4330 VanDerWaalsContact ND2-O 3.17Å; N4281-N4333 PolarHBondContact OD1-ND2 2.7Å; N4281-L4337 WeakPolarHBondContact OD1-CD1 3.4Å |
| 4282 | N | 60.2 | Low | 59.3 | Low | 94.5 Ų | 94.5 | 68 Ų | 68 | 51% | 0.505 | 34% | 0.338 | S | S | . | . | trans | -51.6 | 158.3 | 178.3 | -81 | -12.6 | 0 | 0 | 0 | 113.3 | Q4279 I4280 E4284 Y4285 | Q4279-N4282 PolarHBondContact O-OD1 3.07Å; Q4279-N4282 VanDerWaalsContact O-OD1 3.13Å; I4280-N4282 VanDerWaalsContact C-N 3.26Å; I4280-N4282 PolarHBondContact O-N 2.77Å; N4282-E4284 PolarHBondContact O-N 3.27Å; N4282-E4284 VanDerWaalsContact O-N 3.11Å; N4282-Y4285 WeakPolarHBondContact O-CB 3.41Å; N4282-Y4285 PolarHBondContact O-N 3.35Å | ||
| 4283 | Q | 50 | Low | 58.6 | Low | 171.5 Ų | 171.5 | 71.2 Ų | 71.2 | 80% | 0.801 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -27.6 | 180 | -71.8 | -175.5 | -8.4 | 0 | 0 | 114.5 | Y4285 K4286 | Q4283-Y4285 PolarHBondContact O-N 3.13Å; Q4283-Y4285 VanDerWaalsContact O-N 3.16Å; Q4283-K4286 VanDerWaalsContact O-CB 3.27Å; Q4283-K4286 WeakPolarHBondContact O-CB 3.41Å; Q4283-K4286 PolarHBondContact O-N 3.1Å |
| 4284 | E | 45.9 | Very low | 57.9 | Low | 141.5 Ų | 141.5 | 72.2 Ų | 72.2 | 66% | 0.661 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -22.6 | 173 | -69.6 | -175.9 | 161.9 | 0 | 0 | 113.6 | N4282 K4286 S4287 Q4288 | N4282-E4284 PolarHBondContact O-N 3.27Å; N4282-E4284 VanDerWaalsContact O-N 3.11Å; E4284-K4286 PolarHBondContact O-N 2.91Å; E4284-S4287 WeakPolarHBondContact O-CA 3.47Å; E4284-S4287 WeakPolarHBondContact O-CB 3.45Å; E4284-S4287 PolarHBondContact O-N 3.37Å; E4284-S4287 PolarHBondContact O-OG 3.03Å; E4284-Q4288 WeakPolarHBondContact O-CG 3.44Å; E4284-Q4288 PolarHBondContact O-N 3.46Å |
| 4285 | Y | 45.6 | Very low | 57.3 | Low | 60.5 Ų | 60.5 | 73.6 Ų | 73.6 | 24% | 0.237 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -75.5 | -26.9 | 174.4 | -153.3 | -102.7 | 0 | 0 | 0 | 112.8 | N4281 N4282 Q4283 S4287 Q4288 T4289 N4333 | N4281-Y4285 HydrophobicContact CB-CD1 4.49Å; N4281-Y4285 HydrophobicContact CB-CG 4.45Å; N4282-Y4285 WeakPolarHBondContact O-CB 3.41Å; N4282-Y4285 PolarHBondContact O-N 3.35Å; Q4283-Y4285 PolarHBondContact O-N 3.13Å; Q4283-Y4285 VanDerWaalsContact O-N 3.16Å; Y4285-S4287 PolarHBondContact O-N 3.16Å; Y4285-Q4288 PolarHBondContact O-N 3.21Å; Y4285-T4289 HydrophobicContact CD1-CG2 4.27Å; Y4285-T4289 WeakPolarHBondContact CD1-OG1 3.2Å; Y4285-T4289 HydrophobicContact CD2-CG2 4.45Å; Y4285-T4289 HydrophobicContact CE1-CG2 3.63Å; Y4285-T4289 VanDerWaalsContact CE1-CG2 3.41Å; Y4285-T4289 HydrophobicContact CE2-CG2 3.8Å; Y4285-T4289 VanDerWaalsContact CZ-CG2 3.49Å; Y4285-T4289 PolarHBondContact O-N 3.33Å; Y4285-T4289 PolarHBondContact O-OG1 3.11Å; Y4285-T4289 VanDerWaalsContact O-OG1 3.13Å; Y4285-N4333 HydrophobicContact CE2-CB 4.31Å; Y4285-N4333 WeakPolarHBondContact CE2-ND2 3.49Å; Y4285-N4333 WeakPolarHBondContact CE2-OD1 3.23Å; Y4285-N4333 WeakPolarHBondContact OH-CB 3.44Å; Y4285-N4333 PolarHBondContact OH-OD1 3.16Å |
| 4286 | K | 46.4 | Very low | 56.9 | Low | 91.5 Ų | 91.5 | 74.2 Ų | 74.2 | 40% | 0.398 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.5 | -23.3 | 170.4 | -119.1 | -174.6 | 174.1 | -176 | 0 | 111.9 | Q4283 E4284 Y4295 D4296 | Q4283-K4286 VanDerWaalsContact O-CB 3.27Å; Q4283-K4286 WeakPolarHBondContact O-CB 3.41Å; Q4283-K4286 PolarHBondContact O-N 3.1Å; E4284-K4286 PolarHBondContact O-N 2.91Å; K4286-Y4295 HydrophobicContact CB-CE2 4.42Å; K4286-Y4295 VanDerWaalsContact CE-CG 3.5Å; K4286-Y4295 HydrophobicContact CG-CD2 4.2Å; K4286-Y4295 HydrophobicContact CG-CE2 4.43Å; K4286-Y4295 HydrophobicContact CG-CG 4.36Å; K4286-D4296 IonicContact NZ-OD1 3.64Å; K4286-D4296 PolarHBondContact NZ-OD1 3.35Å |
| 4287 | S | 44.5 | Very low | 56.6 | Low | 98.5 Ų | 98.5 | 76.5 Ų | 76.5 | 69% | 0.689 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -91.5 | -20.1 | 176.1 | 68.6 | 0 | 0 | 0 | 0 | 114.3 | E4284 Y4285 | E4284-S4287 WeakPolarHBondContact O-CA 3.47Å; E4284-S4287 WeakPolarHBondContact O-CB 3.45Å; E4284-S4287 PolarHBondContact O-N 3.37Å; E4284-S4287 PolarHBondContact O-OG 3.03Å; Y4285-S4287 PolarHBondContact O-N 3.16Å |
| 4288 | Q | 44.4 | Very low | 56.3 | Low | 139.5 Ų | 139.5 | 76.5 Ų | 76.5 | 65% | 0.652 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -95.5 | -14.5 | -175.1 | -68.8 | -177.8 | 11.4 | 0 | 0 | 114.1 | E4284 Y4285 | E4284-Q4288 WeakPolarHBondContact O-CG 3.44Å; E4284-Q4288 PolarHBondContact O-N 3.46Å; Y4285-Q4288 PolarHBondContact O-N 3.21Å |
| 4289 | T | 42.1 | Very low | 56.2 | Low | 34 Ų | 34 | 78.6 Ų | 78.6 | 21% | 0.209 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -127.7 | 135.7 | 179.5 | 57.2 | 0 | 0 | 0 | 0 | 111.3 | Y4285 F4291 | Y4285-T4289 HydrophobicContact CD1-CG2 4.27Å; Y4285-T4289 WeakPolarHBondContact CD1-OG1 3.2Å; Y4285-T4289 HydrophobicContact CD2-CG2 4.45Å; Y4285-T4289 HydrophobicContact CE1-CG2 3.63Å; Y4285-T4289 VanDerWaalsContact CE1-CG2 3.41Å; Y4285-T4289 HydrophobicContact CE2-CG2 3.8Å; Y4285-T4289 VanDerWaalsContact CZ-CG2 3.49Å; Y4285-T4289 PolarHBondContact O-N 3.33Å; Y4285-T4289 PolarHBondContact O-OG1 3.11Å; Y4285-T4289 VanDerWaalsContact O-OG1 3.13Å; T4289-F4291 PolarHBondContact O-N 3.21Å |
| 4290 | D | 45.8 | Very low | 56.2 | Low | 159 Ų | 159 | 81.1 Ų | 81.1 | 85% | 0.85 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -65.6 | 7.3 | -177.4 | -67.5 | -35.1 | 0 | 0 | 0 | 113.8 | C4292 | D4290-C4292 VanDerWaalsContact C-N 3.31Å; D4290-C4292 PolarHBondContact O-N 3.09Å; D4290-C4292 VanDerWaalsContact O-N 3.15Å |
| 4291 | F | 44.5 | Very low | 56.4 | Low | 130.5 Ų | 130.5 | 80.7 Ų | 80.7 | 57% | 0.572 | 41% | 0.409 | S | S | * | . | trans | -89.1 | 52.5 | -177.2 | -70.4 | -68.9 | 0 | 0 | 0 | 112.6 | T4289 N4293 T4294 | T4289-F4291 PolarHBondContact O-N 3.21Å; F4291-N4293 VanDerWaalsContact C-N 3.28Å; F4291-N4293 PolarHBondContact O-N 3.46Å; F4291-T4294 VanDerWaalsContact C-OG1 3.29Å; F4291-T4294 WeakPolarHBondContact CA-OG1 3.3Å; F4291-T4294 HydrophobicContact CB-CG2 3.45Å; F4291-T4294 VanDerWaalsContact CB-CG2 3.45Å; F4291-T4294 WeakPolarHBondContact CB-OG1 3.26Å; F4291-T4294 WeakPolarHBondContact CD1-OG1 3.48Å; F4291-T4294 HydrophobicContact CG-CG2 4.29Å; F4291-T4294 VanDerWaalsContact O-CB 3.26Å; F4291-T4294 WeakPolarHBondContact O-CB 3.32Å; F4291-T4294 PolarHBondContact O-N 2.89Å; F4291-T4294 PolarHBondContact O-OG1 3.2Å | ||
| 4292 | C | 46.4 | Very low | 56.6 | Low | 76 Ų | 76 | 81.1 Ų | 81.1 | 51% | 0.514 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -53.2 | -30 | -179.9 | -73.2 | 0 | 0 | 0 | 0 | 114.3 | D4290 T4294 | D4290-C4292 VanDerWaalsContact C-N 3.31Å; D4290-C4292 PolarHBondContact O-N 3.09Å; D4290-C4292 VanDerWaalsContact O-N 3.15Å; C4292-T4294 VanDerWaalsContact C-N 3.26Å; C4292-T4294 PolarHBondContact O-N 3.4Å |
| 4293 | N | 56.9 | Low | 57.1 | Low | 116 Ų | 116 | 81.5 Ų | 81.5 | 62% | 0.62 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -11.6 | -178.2 | -63.1 | -2.5 | 0 | 0 | 0 | 113.9 | F4291 Y4295 D4296 L4297 | F4291-N4293 VanDerWaalsContact C-N 3.28Å; F4291-N4293 PolarHBondContact O-N 3.46Å; N4293-Y4295 PolarHBondContact O-N 2.76Å; N4293-D4296 PolarHBondContact O-N 3.02Å; N4293-L4297 HydrophobicContact CB-CD1 4.13Å; N4293-L4297 HydrophobicContact CB-CG 4.44Å; N4293-L4297 WeakPolarHBondContact O-CB 3.44Å; N4293-L4297 WeakPolarHBondContact O-CD1 3.38Å; N4293-L4297 WeakPolarHBondContact O-CG 3.38Å; N4293-L4297 PolarHBondContact O-N 3.29Å |
| 4294 | T | 62 | Low | 58 | Low | 19.5 Ų | 19.5 | 77 Ų | 77 | 12% | 0.12 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.7 | -45.2 | -175.2 | 5.9 | 0 | 0 | 0 | 0 | 111.8 | F4291 C4292 L4297 V4298 V4326 | F4291-T4294 VanDerWaalsContact C-OG1 3.29Å; F4291-T4294 WeakPolarHBondContact CA-OG1 3.3Å; F4291-T4294 HydrophobicContact CB-CG2 3.45Å; F4291-T4294 VanDerWaalsContact CB-CG2 3.45Å; F4291-T4294 WeakPolarHBondContact CB-OG1 3.26Å; F4291-T4294 WeakPolarHBondContact CD1-OG1 3.48Å; F4291-T4294 HydrophobicContact CG-CG2 4.29Å; F4291-T4294 VanDerWaalsContact O-CB 3.26Å; F4291-T4294 WeakPolarHBondContact O-CB 3.32Å; F4291-T4294 PolarHBondContact O-N 2.89Å; F4291-T4294 PolarHBondContact O-OG1 3.2Å; C4292-T4294 VanDerWaalsContact C-N 3.26Å; C4292-T4294 PolarHBondContact O-N 3.4Å; T4294-L4297 PolarHBondContact O-N 3.05Å; T4294-V4298 VanDerWaalsContact O-CG2 3.24Å; T4294-V4298 WeakPolarHBondContact O-CG2 3.34Å; T4294-V4298 PolarHBondContact O-N 3.42Å; T4294-V4326 HydrophobicContact CG2-CG1 3.71Å |
| 4295 | Y | 65.6 | Low | 59.1 | Low | 30 Ų | 30 | 70.3 Ų | 70.3 | 12% | 0.118 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.9 | -47.3 | -179 | -109 | -87.1 | 0 | 0 | 0 | 111.9 | Q4278 N4281 K4286 N4293 L4297 V4298 E4299 F4330 | Q4278-Y4295 HydrophobicContact CG-CD1 4.4Å; Q4278-Y4295 HydrophobicContact CG-CE1 3.91Å; Q4278-Y4295 PolarHBondContact O-OH 3.04Å; N4281-Y4295 HydrophobicContact CB-CE2 4.36Å; N4281-Y4295 WeakPolarHBondContact CB-OH 3.44Å; N4281-Y4295 WeakPolarHBondContact O-CE2 3.26Å; N4281-Y4295 PolarHBondContact O-OH 3.03Å; K4286-Y4295 HydrophobicContact CB-CE2 4.42Å; K4286-Y4295 VanDerWaalsContact CE-CG 3.5Å; K4286-Y4295 HydrophobicContact CG-CD2 4.2Å; K4286-Y4295 HydrophobicContact CG-CE2 4.43Å; K4286-Y4295 HydrophobicContact CG-CG 4.36Å; N4293-Y4295 PolarHBondContact O-N 2.76Å; Y4295-L4297 VanDerWaalsContact C-N 3.3Å; Y4295-L4297 PolarHBondContact O-N 3.07Å; Y4295-V4298 PolarHBondContact O-N 3.23Å; Y4295-E4299 WeakPolarHBondContact O-CB 3.21Å; Y4295-E4299 PolarHBondContact O-N 2.83Å; Y4295-F4330 HydrophobicContact CD1-CE2 4.21Å; Y4295-F4330 HydrophobicContact CD1-CZ 4.2Å; Y4295-F4330 AromaticContact CD2-CE2 3.78Å; Y4295-F4330 HydrophobicContact CD2-CE2 4.03Å; Y4295-F4330 HydrophobicContact CD2-CZ 4.24Å; Y4295-F4330 AromaticContact CE1-CE2 3.95Å; Y4295-F4330 HydrophobicContact CE1-CE2 3.95Å; Y4295-F4330 AromaticContact CE1-CZ 3.86Å; Y4295-F4330 HydrophobicContact CE1-CZ 3.86Å; Y4295-F4330 AromaticContact CE2-CE2 3.75Å; Y4295-F4330 HydrophobicContact CE2-CE2 3.88Å; Y4295-F4330 AromaticContact CE2-CZ 3.89Å; Y4295-F4330 HydrophobicContact CE2-CZ 3.89Å; Y4295-F4330 HydrophobicContact CG-CE2 4.4Å; Y4295-F4330 AromaticContact CZ-CE2 3.84Å |
| 4296 | D | 65.6 | Low | 60.1 | Low | 74 Ų | 74 | 72.7 Ų | 72.7 | 40% | 0.396 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.3 | -35.3 | -176.9 | -55.6 | -4.1 | 0 | 0 | 0 | 110.8 | K4286 N4293 E4299 Q4300 | K4286-D4296 IonicContact NZ-OD1 3.64Å; K4286-D4296 PolarHBondContact NZ-OD1 3.35Å; N4293-D4296 PolarHBondContact O-N 3.02Å; D4296-E4299 PolarHBondContact O-N 3.1Å; D4296-Q4300 WeakPolarHBondContact O-CG 3.41Å; D4296-Q4300 PolarHBondContact O-N 3.21Å; D4296-Q4300 VanDerWaalsContact O-N 3.11Å |
| 4297 | L | 66.2 | Low | 60.7 | Low | 52.5 Ų | 52.5 | 72.1 Ų | 72.1 | 28% | 0.275 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -70 | -39.5 | 173.6 | -70.2 | 170.7 | 0 | 0 | 0 | 112.6 | N4293 T4294 Y4295 Q4300 V4301 L4323 V4326 | N4293-L4297 HydrophobicContact CB-CD1 4.13Å; N4293-L4297 HydrophobicContact CB-CG 4.44Å; N4293-L4297 WeakPolarHBondContact O-CB 3.44Å; N4293-L4297 WeakPolarHBondContact O-CD1 3.38Å; N4293-L4297 WeakPolarHBondContact O-CG 3.38Å; N4293-L4297 PolarHBondContact O-N 3.29Å; T4294-L4297 PolarHBondContact O-N 3.05Å; Y4295-L4297 VanDerWaalsContact C-N 3.3Å; Y4295-L4297 PolarHBondContact O-N 3.07Å; L4297-Q4300 PolarHBondContact O-N 3.2Å; L4297-V4301 PolarHBondContact O-N 3.08Å; L4297-L4323 HydrophobicContact CB-CD2 3.96Å; L4297-L4323 HydrophobicContact CD1-CD2 4.43Å; L4297-L4323 HydrophobicContact CD2-CD2 3.95Å; L4297-L4323 HydrophobicContact CG-CD2 4.33Å; L4297-V4326 HydrophobicContact CB-CG1 4.18Å; L4297-V4326 HydrophobicContact CD1-CG1 4.27Å; L4297-V4326 HydrophobicContact CD1-CG2 4.4Å |
| 4298 | V | 70.6 | Confident | 61.3 | Low | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.9 | -39.7 | 174.6 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | L4274 T4294 Y4295 Q4300 V4301 I4302 V4326 V4327 F4330 | L4274-V4298 HydrophobicContact CD2-CG1 4.11Å; T4294-V4298 VanDerWaalsContact O-CG2 3.24Å; T4294-V4298 WeakPolarHBondContact O-CG2 3.34Å; T4294-V4298 PolarHBondContact O-N 3.42Å; Y4295-V4298 PolarHBondContact O-N 3.23Å; V4298-Q4300 VanDerWaalsContact C-N 3.31Å; V4298-Q4300 PolarHBondContact O-N 2.94Å; V4298-V4301 WeakPolarHBondContact O-CB 3.44Å; V4298-V4301 PolarHBondContact O-N 3.39Å; V4298-V4301 VanDerWaalsContact O-N 3.07Å; V4298-I4302 HydrophobicContact CG1-CD1 3.97Å; V4298-I4302 HydrophobicContact CG1-CG1 4.39Å; V4298-I4302 WeakPolarHBondContact O-CG1 3.35Å; V4298-I4302 PolarHBondContact O-N 3.14Å; V4298-V4326 HydrophobicContact CG2-CG1 4.45Å; V4298-V4327 HydrophobicContact CG2-CG2 4.32Å; V4298-F4330 HydrophobicContact CB-CE1 4.5Å; V4298-F4330 HydrophobicContact CG1-CD1 3.94Å; V4298-F4330 HydrophobicContact CG1-CE1 3.84Å; V4298-F4330 HydrophobicContact CG1-CZ 4.39Å; V4298-F4330 HydrophobicContact CG2-CB 4.07Å; V4298-F4330 HydrophobicContact CG2-CD1 4.06Å; V4298-F4330 HydrophobicContact CG2-CD2 4.21Å; V4298-F4330 HydrophobicContact CG2-CE1 4.43Å; V4298-F4330 HydrophobicContact CG2-CG 3.86Å |
| 4299 | E | 73.2 | Confident | 61.9 | Low | 92 Ų | 92 | 63.9 Ų | 63.9 | 43% | 0.43 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62 | -38.7 | 176 | -171.7 | 169.9 | -169.4 | 0 | 0 | 111.6 | Y4295 D4296 V4301 I4302 L4303 | Y4295-E4299 WeakPolarHBondContact O-CB 3.21Å; Y4295-E4299 PolarHBondContact O-N 2.83Å; D4296-E4299 PolarHBondContact O-N 3.1Å; E4299-V4301 VanDerWaalsContact C-N 3.33Å; E4299-V4301 PolarHBondContact O-N 3.04Å; E4299-I4302 PolarHBondContact O-N 2.92Å; E4299-L4303 HydrophobicContact CG-CD1 4.28Å; E4299-L4303 WeakPolarHBondContact O-CB 3.3Å; E4299-L4303 VanDerWaalsContact O-CG 3.28Å; E4299-L4303 WeakPolarHBondContact O-CG 3.24Å; E4299-L4303 PolarHBondContact O-N 3.4Å |
| 4300 | Q | 70.4 | Confident | 62.4 | Low | 107.5 Ų | 107.5 | 68.3 Ų | 68.3 | 50% | 0.502 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60 | -40.3 | 171 | -73.1 | 175.5 | 14.7 | 0 | 0 | 112.6 | D4296 L4297 V4298 L4303 Q4304 | D4296-Q4300 WeakPolarHBondContact O-CG 3.41Å; D4296-Q4300 PolarHBondContact O-N 3.21Å; D4296-Q4300 VanDerWaalsContact O-N 3.11Å; L4297-Q4300 PolarHBondContact O-N 3.2Å; V4298-Q4300 VanDerWaalsContact C-N 3.31Å; V4298-Q4300 PolarHBondContact O-N 2.94Å; Q4300-L4303 PolarHBondContact O-N 2.9Å; Q4300-Q4304 WeakPolarHBondContact O-CG 3.48Å; Q4300-Q4304 PolarHBondContact O-N 2.97Å |
| 4301 | V | 71 | Confident | 62.5 | Low | 2.5 Ų | 2.5 | 62.6 Ų | 62.6 | 2% | 0.015 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 175.8 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | W4251 L4274 L4297 V4298 E4299 L4303 Q4304 L4305 I4317 L4323 V4327 | W4251-V4301 HydrophobicContact CH2-CG1 4.1Å; W4251-V4301 HydrophobicContact CZ3-CG1 4.37Å; L4274-V4301 HydrophobicContact CD1-CB 4.29Å; L4274-V4301 HydrophobicContact CD1-CG1 3.76Å; L4297-V4301 PolarHBondContact O-N 3.08Å; V4298-V4301 WeakPolarHBondContact O-CB 3.44Å; V4298-V4301 PolarHBondContact O-N 3.39Å; V4298-V4301 VanDerWaalsContact O-N 3.07Å; E4299-V4301 VanDerWaalsContact C-N 3.33Å; E4299-V4301 PolarHBondContact O-N 3.04Å; V4301-L4303 VanDerWaalsContact C-N 3.32Å; V4301-L4303 PolarHBondContact O-N 3.03Å; V4301-Q4304 PolarHBondContact O-N 3.01Å; V4301-L4305 HydrophobicContact CG1-CD1 3.95Å; V4301-L4305 HydrophobicContact CG1-CG 4.41Å; V4301-L4305 WeakPolarHBondContact O-CB 2.99Å; V4301-L4305 WeakPolarHBondContact O-CG 3.21Å; V4301-L4305 PolarHBondContact O-N 3.48Å; V4301-I4317 HydrophobicContact CG1-CD1 4.17Å; V4301-L4323 HydrophobicContact CG2-CD1 4.25Å; V4301-L4323 HydrophobicContact CG2-CD2 3.22Å; V4301-V4327 HydrophobicContact CG2-CG2 4.15Å |
| 4302 | I | 70.7 | Confident | 62.5 | Low | 11 Ų | 11 | 65.4 Ų | 65.4 | 6% | 0.056 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 175.4 | -67.6 | 171.9 | 0 | 0 | 0 | 110.5 | Y4271 L4274 Y4275 Q4278 V4298 E4299 Q4304 L4305 K4306 | Y4271-I4302 HydrophobicContact CD2-CG2 4.32Å; Y4271-I4302 HydrophobicContact CE2-CG2 3.73Å; L4274-I4302 HydrophobicContact CB-CD1 4.11Å; L4274-I4302 HydrophobicContact CB-CG1 3.86Å; L4274-I4302 HydrophobicContact CD1-CG1 4.3Å; Y4275-I4302 HydrophobicContact CD2-CG2 4.42Å; Q4278-I4302 HydrophobicContact CB-CD1 4.44Å; V4298-I4302 HydrophobicContact CG1-CD1 3.97Å; V4298-I4302 HydrophobicContact CG1-CG1 4.39Å; V4298-I4302 WeakPolarHBondContact O-CG1 3.35Å; V4298-I4302 PolarHBondContact O-N 3.14Å; E4299-I4302 PolarHBondContact O-N 2.92Å; I4302-Q4304 VanDerWaalsContact C-N 3.31Å; I4302-Q4304 PolarHBondContact O-N 3.01Å; I4302-L4305 PolarHBondContact O-N 2.87Å; I4302-K4306 WeakPolarHBondContact O-CB 3.43Å; I4302-K4306 PolarHBondContact O-N 2.9Å |
| 4303 | L | 71.1 | Confident | 62.2 | Low | 104 Ų | 104 | 69.2 Ų | 69.2 | 55% | 0.545 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.8 | -34.1 | 177.4 | -73.8 | 170.6 | 0 | 0 | 0 | 112.8 | E4299 Q4300 V4301 P4307 | E4299-L4303 HydrophobicContact CG-CD1 4.28Å; E4299-L4303 WeakPolarHBondContact O-CB 3.3Å; E4299-L4303 VanDerWaalsContact O-CG 3.28Å; E4299-L4303 WeakPolarHBondContact O-CG 3.24Å; E4299-L4303 PolarHBondContact O-N 3.4Å; Q4300-L4303 PolarHBondContact O-N 2.9Å; V4301-L4303 VanDerWaalsContact C-N 3.32Å; V4301-L4303 PolarHBondContact O-N 3.03Å; L4303-P4307 WeakPolarHBondContact O-CD 3.28Å |
| 4304 | Q | 69.5 | Low | 61.5 | Low | 75 Ų | 75 | 66.3 Ų | 66.3 | 35% | 0.35 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70 | -39.5 | 172.5 | -73.1 | -175.7 | 15.9 | 0 | 0 | 112.1 | Q4300 V4301 I4302 P4307 L4308 K4318 | Q4300-Q4304 WeakPolarHBondContact O-CG 3.48Å; Q4300-Q4304 PolarHBondContact O-N 2.97Å; V4301-Q4304 PolarHBondContact O-N 3.01Å; I4302-Q4304 VanDerWaalsContact C-N 3.31Å; I4302-Q4304 PolarHBondContact O-N 3.01Å; Q4304-P4307 WeakPolarHBondContact O-CD 3.37Å; Q4304-P4307 WeakPolarHBondContact O-CG 3.45Å; Q4304-L4308 VanDerWaalsContact O-CD1 3.26Å; Q4304-L4308 WeakPolarHBondContact O-CD1 3.38Å; Q4304-L4308 WeakPolarHBondContact O-CG 3.28Å; Q4304-K4318 PolarHBondContact NE2-O 3.03Å; Q4304-K4318 PolarHBondContact OE1-O 3.22Å |
| 4305 | L | 67.9 | Low | 60.9 | Low | 1.5 Ų | 1.5 | 66 Ų | 66 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -74.5 | -32.5 | -179.7 | -74 | 171.4 | 0 | 0 | 0 | 113.5 | A4267 I4270 Y4271 L4274 V4301 I4302 L4308 V4309 I4317 | A4267-L4305 HydrophobicContact CB-CD2 4.27Å; I4270-L4305 HydrophobicContact CB-CD1 4.39Å; I4270-L4305 HydrophobicContact CG2-CD1 3.76Å; Y4271-L4305 HydrophobicContact CD2-CB 3.79Å; Y4271-L4305 HydrophobicContact CG-CB 4.39Å; L4274-L4305 HydrophobicContact CD1-CD1 3.84Å; V4301-L4305 HydrophobicContact CG1-CD1 3.95Å; V4301-L4305 HydrophobicContact CG1-CG 4.41Å; V4301-L4305 WeakPolarHBondContact O-CB 2.99Å; V4301-L4305 WeakPolarHBondContact O-CG 3.21Å; V4301-L4305 PolarHBondContact O-N 3.48Å; I4302-L4305 PolarHBondContact O-N 2.87Å; L4305-L4308 HydrophobicContact CD2-CD1 4.4Å; L4305-L4308 WeakPolarHBondContact O-CA 3.27Å; L4305-L4308 WeakPolarHBondContact O-CB 3.41Å; L4305-L4308 PolarHBondContact O-N 3.25Å; L4305-V4309 WeakPolarHBondContact O-CG2 3.15Å; L4305-V4309 PolarHBondContact O-N 2.77Å; L4305-I4317 HydrophobicContact CD1-CD1 4.31Å; L4305-I4317 HydrophobicContact CD2-CD1 3.88Å; L4305-I4317 HydrophobicContact CD2-CG1 4.35Å; L4305-I4317 HydrophobicContact CG-CD1 4.28Å |
| 4306 | K | 66.2 | Low | 60.3 | Low | 111.5 Ų | 111.5 | 70.1 Ų | 70.1 | 49% | 0.485 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -52.5 | -50.2 | -178.2 | -170.8 | 171.3 | -175.3 | 171.9 | 0 | 114.7 | Y4271 I4302 L4308 | Y4271-K4306 HydrophobicContact CE2-CB 3.85Å; Y4271-K4306 HydrophobicContact CE2-CG 4.31Å; I4302-K4306 WeakPolarHBondContact O-CB 3.43Å; I4302-K4306 PolarHBondContact O-N 2.9Å; K4306-L4308 VanDerWaalsContact C-N 3.3Å; K4306-L4308 PolarHBondContact O-N 3.11Å |
| 4307 | P | 59.1 | Low | 59.8 | Low | 78 Ų | 78 | 67.1 Ų | 67.1 | 51% | 0.506 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.4 | -28.2 | 175.7 | 26.9 | -34.3 | 0 | 0 | 0 | 112.7 | L4303 Q4304 N4310 S4311 | L4303-P4307 WeakPolarHBondContact O-CD 3.28Å; Q4304-P4307 WeakPolarHBondContact O-CD 3.37Å; Q4304-P4307 WeakPolarHBondContact O-CG 3.45Å; P4307-N4310 PolarHBondContact O-N 3.15Å; P4307-S4311 PolarHBondContact O-N 3.36Å; P4307-S4311 VanDerWaalsContact O-N 3.16Å |
| 4308 | L | 58.5 | Low | 59 | Low | 49.5 Ų | 49.5 | 72 Ų | 72 | 26% | 0.259 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -71.4 | -38.1 | -178.3 | -64.8 | 169.8 | 0 | 0 | 0 | 112 | Q4304 L4305 K4306 N4310 S4311 A4315 | Q4304-L4308 VanDerWaalsContact O-CD1 3.26Å; Q4304-L4308 WeakPolarHBondContact O-CD1 3.38Å; Q4304-L4308 WeakPolarHBondContact O-CG 3.28Å; L4305-L4308 HydrophobicContact CD2-CD1 4.4Å; L4305-L4308 WeakPolarHBondContact O-CA 3.27Å; L4305-L4308 WeakPolarHBondContact O-CB 3.41Å; L4305-L4308 PolarHBondContact O-N 3.25Å; K4306-L4308 VanDerWaalsContact C-N 3.3Å; K4306-L4308 PolarHBondContact O-N 3.11Å; L4308-N4310 PolarHBondContact O-N 2.89Å; L4308-S4311 WeakPolarHBondContact CA-OG 3.32Å; L4308-S4311 PolarHBondContact O-N 3.04Å; L4308-S4311 VanDerWaalsContact O-O 3.13Å; L4308-S4311 PolarHBondContact O-OG 3.22Å; L4308-A4315 HydrophobicContact CB-CB 4.23Å; L4308-A4315 HydrophobicContact CD1-CB 3.47Å; L4308-A4315 HydrophobicContact CD2-CB 3.52Å; L4308-A4315 HydrophobicContact CG-CB 3.91Å |
| 4309 | V | 55.5 | Low | 58.1 | Low | 16.5 Ų | 16.5 | 73.5 Ų | 73.5 | 10% | 0.1 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.1 | -34.2 | 172.7 | 167 | 0 | 0 | 0 | 0 | 112.2 | Q4268 Y4271 L4305 S4311 | Q4268-V4309 HydrophobicContact CG-CB 4.4Å; Q4268-V4309 HydrophobicContact CG-CG1 4.02Å; Q4268-V4309 HydrophobicContact CG-CG2 4.11Å; Y4271-V4309 HydrophobicContact CD1-CG2 4.09Å; Y4271-V4309 HydrophobicContact CD2-CG2 4.39Å; Y4271-V4309 HydrophobicContact CG-CG2 3.86Å; L4305-V4309 WeakPolarHBondContact O-CG2 3.15Å; L4305-V4309 PolarHBondContact O-N 2.77Å; V4309-S4311 VanDerWaalsContact C-N 3.34Å |
| 4310 | N | 54.1 | Low | 56.9 | Low | 126.5 Ų | 126.5 | 73.1 Ų | 73.1 | 68% | 0.676 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -10.4 | 177.7 | -68.4 | -17.1 | 0 | 0 | 0 | 113.4 | P4307 L4308 | P4307-N4310 PolarHBondContact O-N 3.15Å; L4308-N4310 PolarHBondContact O-N 2.89Å |
| 4311 | S | 47.1 | Very low | 56 | Low | 40 Ų | 40 | 74.8 Ų | 74.8 | 28% | 0.28 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -96.5 | 151 | -176.5 | 82.5 | 0 | 0 | 0 | 0 | 112.2 | P4307 L4308 V4309 F4313 | P4307-S4311 PolarHBondContact O-N 3.36Å; P4307-S4311 VanDerWaalsContact O-N 3.16Å; L4308-S4311 WeakPolarHBondContact CA-OG 3.32Å; L4308-S4311 PolarHBondContact O-N 3.04Å; L4308-S4311 VanDerWaalsContact O-O 3.13Å; L4308-S4311 PolarHBondContact O-OG 3.22Å; V4309-S4311 VanDerWaalsContact C-N 3.34Å; S4311-F4313 PolarHBondContact O-N 2.82Å |
| 4312 | K | 45.6 | Very low | 55.1 | Low | 189.5 Ų | 189.5 | 78.3 Ų | 78.3 | 82% | 0.824 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -81.8 | 5.1 | -176.5 | -72.1 | -170.9 | 177.6 | -176.5 | 0 | 114.9 | ||
| 4313 | F | 38.6 | Very low | 54.6 | Low | 154.5 Ų | 154.5 | 78.6 Ų | 78.6 | 68% | 0.678 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -124.7 | 150.4 | -172.8 | -65 | -79.2 | 0 | 0 | 0 | 112.2 | S4311 | S4311-F4313 PolarHBondContact O-N 2.82Š|
| 4314 | G | 43.3 | Very low | 54.3 | Low | 56 Ų | 56 | 74.5 Ų | 74.5 | 58% | 0.577 | 40% | 0.4 | S | S | * | . | trans | -69.3 | 154.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F4262 | F4262-G4314 WeakPolarHBondContact O-CA 3.41Š| ||
| 4315 | A | 49.6 | Very low | 53.9 | Low | 13.5 Ų | 13.5 | 74.5 Ų | 74.5 | 11% | 0.112 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 149.6 | -163.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I4261 F4262 L4308 | I4261-A4315 WeakPolarHBondContact CA-O 3.45Å; F4262-A4315 PolarHBondContact N-O 3.07Å; F4262-A4315 PolarHBondContact O-N 3.03Å; L4308-A4315 HydrophobicContact CB-CB 4.23Å; L4308-A4315 HydrophobicContact CD1-CB 3.47Å; L4308-A4315 HydrophobicContact CD2-CB 3.52Å; L4308-A4315 HydrophobicContact CG-CB 3.91Å |
| 4316 | E | 52 | Low | 53.9 | Low | 116 Ų | 116 | 76 Ų | 76 | 54% | 0.542 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 121.3 | 174.5 | -176.1 | 179.3 | -151.3 | 0 | 0 | 109.4 | L4260 I4261 K4318 | L4260-E4316 VanDerWaalsContact O-CA 3.3Å; L4260-E4316 WeakPolarHBondContact O-CA 3.36Å; I4261-E4316 HydrophobicContact CG1-CB 4.31Å; I4261-E4316 HydrophobicContact CG1-CG 4.19Å; E4316-K4318 HydrophobicContact CG-CG 4.43Å; E4316-K4318 PolarHBondContact O-N 3.02Å; E4316-K4318 WeakPolarHBondContact OE2-CE 3.27Å; E4316-K4318 IonicContact OE2-NZ 3.28Å; E4316-K4318 PolarHBondContact OE2-NZ 3.46Å |
| 4317 | I | 55 | Low | 54.2 | Low | 11 Ų | 11 | 70.7 Ų | 70.7 | 6% | 0.056 | 39% | 0.393 | C | S | . | . | trans | -80.6 | 115.2 | 176.8 | -55.2 | -178.3 | 0 | 0 | 0 | 108.9 | W4251 L4260 F4262 V4301 L4305 G4319 | W4251-I4317 HydrophobicContact CH2-CD1 4.17Å; W4251-I4317 HydrophobicContact CZ3-CD1 3.77Å; L4260-I4317 HydrophobicContact CB-CB 4.14Å; L4260-I4317 HydrophobicContact CD1-CB 4.37Å; L4260-I4317 PolarHBondContact O-N 3.33Å; L4260-I4317 VanDerWaalsContact O-N 3.09Å; F4262-I4317 HydrophobicContact CD2-CD1 3.93Å; F4262-I4317 HydrophobicContact CD2-CG1 4.09Å; F4262-I4317 HydrophobicContact CE2-CD1 3.5Å; F4262-I4317 VanDerWaalsContact CE2-CD1 3.48Å; F4262-I4317 HydrophobicContact CE2-CG1 3.93Å; F4262-I4317 HydrophobicContact CZ-CD1 4.47Å; V4301-I4317 HydrophobicContact CG1-CD1 4.17Å; L4305-I4317 HydrophobicContact CD1-CD1 4.31Å; L4305-I4317 HydrophobicContact CD2-CD1 3.88Å; L4305-I4317 HydrophobicContact CD2-CG1 4.35Å; L4305-I4317 HydrophobicContact CG-CD1 4.28Å; I4317-G4319 PolarHBondContact O-N 2.92Å | ||
| 4318 | K | 49.9 | Very low | 54.9 | Low | 155 Ų | 155 | 67.8 Ų | 67.8 | 67% | 0.674 | 37% | 0.374 | S | S | * | . | trans | -93.6 | 104.5 | 177.4 | -67.2 | -176.1 | -179.4 | 178.7 | 0 | 110.2 | Q4304 E4316 | Q4304-K4318 PolarHBondContact NE2-O 3.03Å; Q4304-K4318 PolarHBondContact OE1-O 3.22Å; E4316-K4318 HydrophobicContact CG-CG 4.43Å; E4316-K4318 PolarHBondContact O-N 3.02Å; E4316-K4318 WeakPolarHBondContact OE2-CE 3.27Å; E4316-K4318 IonicContact OE2-NZ 3.28Å; E4316-K4318 PolarHBondContact OE2-NZ 3.46Å | ||
| 4319 | G | 50.8 | Low | 55.4 | Low | 32 Ų | 32 | 70.1 Ų | 70.1 | 33% | 0.33 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -161 | 163.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | I4317 H4321 | I4317-G4319 PolarHBondContact O-N 2.92Å; G4319-H4321 PolarHBondContact O-N 3.44Å |
| 4320 | P | 48.9 | Very low | 56.4 | Low | 83.5 Ų | 83.5 | 69.7 Ų | 69.7 | 54% | 0.542 | 38% | 0.383 | S | S | . | . | trans | -62.3 | 141.1 | 178.6 | 26.6 | -35.2 | 0 | 0 | 0 | 111.1 | S4322 L4323 | P4320-S4322 WeakPolarHBondContact CB-OG 3.49Å; P4320-S4322 PolarHBondContact O-N 3.35Å; P4320-L4323 HydrophobicContact CG-CD1 4.16Å; P4320-L4323 HydrophobicContact CG-CG 4.22Å; P4320-L4323 WeakPolarHBondContact O-CB 3.35Å; P4320-L4323 PolarHBondContact O-N 3.27Å | ||
| 4321 | H | 51.9 | Low | 57.3 | Low | 143.5 Ų | 143.5 | 63.7 Ų | 63.7 | 66% | 0.664 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -16.9 | -179.2 | -64.2 | -65.6 | 0 | 0 | 0 | 113.9 | G4319 L4323 C4324 | G4319-H4321 PolarHBondContact O-N 3.44Å; H4321-L4323 PolarHBondContact O-N 3Å; H4321-C4324 PolarHBondContact O-N 3Å |
| 4322 | S | 51.2 | Low | 58.6 | Low | 77 Ų | 77 | 65.3 Ų | 65.3 | 54% | 0.538 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -16.3 | 171.7 | 56.5 | 0 | 0 | 0 | 0 | 114.7 | P4320 C4324 P4325 | P4320-S4322 WeakPolarHBondContact CB-OG 3.49Å; P4320-S4322 PolarHBondContact O-N 3.35Å; S4322-C4324 VanDerWaalsContact C-N 3.31Å; S4322-C4324 PolarHBondContact O-N 3.48Å; S4322-P4325 WeakPolarHBondContact O-CD 3.46Å; S4322-P4325 WeakPolarHBondContact O-CG 3.41Å |
| 4323 | L | 61.3 | Low | 59.9 | Low | 16 Ų | 16 | 57.9 Ų | 57.9 | 8% | 0.084 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69 | -31.2 | 174.5 | -84 | 156.9 | 0 | 0 | 0 | 113.1 | L4297 V4301 P4320 H4321 V4326 V4327 | L4297-L4323 HydrophobicContact CB-CD2 3.96Å; L4297-L4323 HydrophobicContact CD1-CD2 4.43Å; L4297-L4323 HydrophobicContact CD2-CD2 3.95Å; L4297-L4323 HydrophobicContact CG-CD2 4.33Å; V4301-L4323 HydrophobicContact CG2-CD1 4.25Å; V4301-L4323 HydrophobicContact CG2-CD2 3.22Å; P4320-L4323 HydrophobicContact CG-CD1 4.16Å; P4320-L4323 HydrophobicContact CG-CG 4.22Å; P4320-L4323 WeakPolarHBondContact O-CB 3.35Å; P4320-L4323 PolarHBondContact O-N 3.27Å; H4321-L4323 PolarHBondContact O-N 3Å; L4323-V4326 PolarHBondContact O-N 3.08Å; L4323-V4327 HydrophobicContact CD2-CG2 4.21Å; L4323-V4327 WeakPolarHBondContact O-CG2 3.31Å; L4323-V4327 PolarHBondContact O-N 2.99Å |
| 4324 | C | 63.6 | Low | 61.4 | Low | 18 Ų | 18 | 50.5 Ų | 50.5 | 12% | 0.122 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.8 | -50.9 | -173.3 | -63.1 | 0 | 0 | 0 | 0 | 113.1 | W4251 H4321 S4322 V4326 V4327 T4328 | W4251-C4324 PolarHBondContact NE1-O 3.45Å; H4321-C4324 PolarHBondContact O-N 3Å; S4322-C4324 VanDerWaalsContact C-N 3.31Å; S4322-C4324 PolarHBondContact O-N 3.48Å; C4324-V4326 VanDerWaalsContact C-N 3.34Å; C4324-V4326 PolarHBondContact O-N 3.27Å; C4324-V4327 PolarHBondContact O-N 3.21Å; C4324-T4328 WeakPolarHBondContact O-CB 3.29Å; C4324-T4328 PolarHBondContact O-N 3.04Å; C4324-T4328 VanDerWaalsContact O-N 3.12Å; C4324-T4328 PolarHBondContact O-OG1 3.11Å |
| 4325 | P | 62.9 | Low | 62.7 | Low | 76 Ų | 76 | 49.7 Ų | 49.7 | 49% | 0.494 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.9 | -36 | 178.3 | 1 | 0.9 | 0 | 0 | 0 | 113 | S4322 T4328 L4329 | S4322-P4325 WeakPolarHBondContact O-CD 3.46Å; S4322-P4325 WeakPolarHBondContact O-CG 3.41Å; P4325-T4328 PolarHBondContact O-N 3.03Å; P4325-L4329 WeakPolarHBondContact O-CB 3.35Å; P4325-L4329 VanDerWaalsContact O-CG 3.32Å; P4325-L4329 WeakPolarHBondContact O-CG 3.32Å; P4325-L4329 PolarHBondContact O-N 3.15Å |
| 4326 | V | 67.6 | Low | 63.6 | Low | 33 Ų | 33 | 53.9 Ų | 53.9 | 20% | 0.2 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.6 | -49.7 | 179.2 | 171.1 | 0 | 0 | 0 | 0 | 111 | T4294 L4297 V4298 L4323 C4324 T4328 L4329 F4330 | T4294-V4326 HydrophobicContact CG2-CG1 3.71Å; L4297-V4326 HydrophobicContact CB-CG1 4.18Å; L4297-V4326 HydrophobicContact CD1-CG1 4.27Å; L4297-V4326 HydrophobicContact CD1-CG2 4.4Å; V4298-V4326 HydrophobicContact CG2-CG1 4.45Å; L4323-V4326 PolarHBondContact O-N 3.08Å; C4324-V4326 VanDerWaalsContact C-N 3.34Å; C4324-V4326 PolarHBondContact O-N 3.27Å; V4326-T4328 VanDerWaalsContact C-N 3.34Å; V4326-T4328 PolarHBondContact O-N 3.2Å; V4326-L4329 PolarHBondContact O-N 2.9Å; V4326-F4330 WeakPolarHBondContact O-CB 3.3Å; V4326-F4330 PolarHBondContact O-N 3.12Å; V4326-F4330 VanDerWaalsContact O-N 3.14Å |
| 4327 | V | 71.6 | Confident | 64.3 | Low | 0.5 Ų | 0.5 | 50.7 Ų | 50.7 | 0% | 0.003 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 178.5 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | W4251 L4274 V4298 V4301 L4323 C4324 F4330 I4331 | W4251-V4327 HydrophobicContact CD2-CB 4.33Å; W4251-V4327 HydrophobicContact CD2-CG1 3.83Å; W4251-V4327 VanDerWaalsContact CE2-CG1 3.46Å; W4251-V4327 HydrophobicContact CE3-CG1 4.1Å; W4251-V4327 HydrophobicContact CG-CG1 4.04Å; W4251-V4327 HydrophobicContact CH2-CB 4.29Å; W4251-V4327 HydrophobicContact CH2-CG1 4.19Å; W4251-V4327 HydrophobicContact CH2-CG2 4.11Å; W4251-V4327 HydrophobicContact CZ2-CB 3.61Å; W4251-V4327 HydrophobicContact CZ2-CG1 3.6Å; W4251-V4327 HydrophobicContact CZ2-CG2 3.78Å; W4251-V4327 HydrophobicContact CZ3-CG1 4.31Å; L4274-V4327 HydrophobicContact CD2-CG1 3.67Å; V4298-V4327 HydrophobicContact CG2-CG2 4.32Å; V4301-V4327 HydrophobicContact CG2-CG2 4.15Å; L4323-V4327 HydrophobicContact CD2-CG2 4.21Å; L4323-V4327 WeakPolarHBondContact O-CG2 3.31Å; L4323-V4327 PolarHBondContact O-N 2.99Å; C4324-V4327 PolarHBondContact O-N 3.21Å; V4327-F4330 WeakPolarHBondContact O-CB 3.32Å; V4327-F4330 PolarHBondContact O-N 3.1Å; V4327-I4331 HydrophobicContact CG1-CD1 4Å; V4327-I4331 WeakPolarHBondContact O-CG1 3.27Å; V4327-I4331 PolarHBondContact O-N 3.14Å; V4327-I4331 VanDerWaalsContact O-N 3.13Å |
| 4328 | T | 73.9 | Confident | 64.8 | Low | 17 Ų | 17 | 50.4 Ų | 50.4 | 10% | 0.104 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.8 | -51.6 | 176.8 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | L4248 L4252 C4324 P4325 V4326 F4330 I4331 E4332 | L4248-T4328 HydrophobicContact CD1-CG2 4.27Å; L4252-T4328 HydrophobicContact CD2-CG2 3.67Å; L4252-T4328 HydrophobicContact CG-CG2 4.31Å; C4324-T4328 WeakPolarHBondContact O-CB 3.29Å; C4324-T4328 PolarHBondContact O-N 3.04Å; C4324-T4328 VanDerWaalsContact O-N 3.12Å; C4324-T4328 PolarHBondContact O-OG1 3.11Å; P4325-T4328 PolarHBondContact O-N 3.03Å; V4326-T4328 VanDerWaalsContact C-N 3.34Å; V4326-T4328 PolarHBondContact O-N 3.2Å; T4328-F4330 VanDerWaalsContact C-N 3.26Å; T4328-F4330 PolarHBondContact O-N 3.18Å; T4328-I4331 PolarHBondContact O-N 3.18Å; T4328-E4332 HydrophobicContact CG2-CG 4.36Å; T4328-E4332 WeakPolarHBondContact O-CB 3.36Å; T4328-E4332 WeakPolarHBondContact O-CG 3.35Å; T4328-E4332 PolarHBondContact O-N 2.84Å |
| 4329 | L | 68.4 | Low | 65.3 | Low | 97 Ų | 97 | 47.3 Ų | 47.3 | 51% | 0.508 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.6 | -36.6 | 178.9 | -96 | 155.6 | 0 | 0 | 0 | 112.3 | P4325 V4326 N4333 | P4325-L4329 WeakPolarHBondContact O-CB 3.35Å; P4325-L4329 VanDerWaalsContact O-CG 3.32Å; P4325-L4329 WeakPolarHBondContact O-CG 3.32Å; P4325-L4329 PolarHBondContact O-N 3.15Å; V4326-L4329 PolarHBondContact O-N 2.9Å; L4329-N4333 WeakPolarHBondContact O-CB 3.44Å; L4329-N4333 PolarHBondContact O-N 3.35Å |
| 4330 | F | 76.8 | Confident | 65.5 | Low | 7.5 Ų | 7.5 | 51.7 Ų | 51.7 | 3% | 0.033 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 179.3 | -166.9 | -100.2 | 0 | 0 | 0 | 112.7 | A4277 Q4278 N4281 Y4295 V4298 V4326 V4327 T4328 A4334 | A4277-F4330 HydrophobicContact CB-CD1 3.9Å; A4277-F4330 HydrophobicContact CB-CE1 3.9Å; Q4278-F4330 HydrophobicContact CB-CE1 4.18Å; Q4278-F4330 HydrophobicContact CB-CZ 4.27Å; Q4278-F4330 HydrophobicContact CG-CZ 4.38Å; N4281-F4330 HydrophobicContact CB-CE2 4.23Å; N4281-F4330 HydrophobicContact CB-CZ 4.16Å; N4281-F4330 WeakPolarHBondContact ND2-CE1 3.38Å; N4281-F4330 WeakPolarHBondContact ND2-CE2 3.46Å; N4281-F4330 WeakPolarHBondContact ND2-CZ 3.41Å; N4281-F4330 PolarHBondContact ND2-O 2.91Å; N4281-F4330 VanDerWaalsContact ND2-O 3.17Å; Y4295-F4330 HydrophobicContact CD1-CE2 4.21Å; Y4295-F4330 HydrophobicContact CD1-CZ 4.2Å; Y4295-F4330 AromaticContact CD2-CE2 3.78Å; Y4295-F4330 HydrophobicContact CD2-CE2 4.03Å; Y4295-F4330 HydrophobicContact CD2-CZ 4.24Å; Y4295-F4330 AromaticContact CE1-CE2 3.95Å; Y4295-F4330 HydrophobicContact CE1-CE2 3.95Å; Y4295-F4330 AromaticContact CE1-CZ 3.86Å; Y4295-F4330 HydrophobicContact CE1-CZ 3.86Å; Y4295-F4330 AromaticContact CE2-CE2 3.75Å; Y4295-F4330 HydrophobicContact CE2-CE2 3.88Å; Y4295-F4330 AromaticContact CE2-CZ 3.89Å; Y4295-F4330 HydrophobicContact CE2-CZ 3.89Å; Y4295-F4330 HydrophobicContact CG-CE2 4.4Å; Y4295-F4330 AromaticContact CZ-CE2 3.84Å; V4298-F4330 HydrophobicContact CB-CE1 4.5Å; V4298-F4330 HydrophobicContact CG1-CD1 3.94Å; V4298-F4330 HydrophobicContact CG1-CE1 3.84Å; V4298-F4330 HydrophobicContact CG1-CZ 4.39Å; V4298-F4330 HydrophobicContact CG2-CB 4.07Å; V4298-F4330 HydrophobicContact CG2-CD1 4.06Å; V4298-F4330 HydrophobicContact CG2-CD2 4.21Å; V4298-F4330 HydrophobicContact CG2-CE1 4.43Å; V4298-F4330 HydrophobicContact CG2-CG 3.86Å; V4326-F4330 WeakPolarHBondContact O-CB 3.3Å; V4326-F4330 PolarHBondContact O-N 3.12Å; V4326-F4330 VanDerWaalsContact O-N 3.14Å; V4327-F4330 WeakPolarHBondContact O-CB 3.32Å; V4327-F4330 PolarHBondContact O-N 3.1Å; T4328-F4330 VanDerWaalsContact C-N 3.26Å; T4328-F4330 PolarHBondContact O-N 3.18Å; F4330-A4334 PolarHBondContact O-N 2.91Å |
| 4331 | I | 74 | Confident | 65.7 | Low | 0.5 Ų | 0.5 | 51.4 Ų | 51.4 | 0% | 0.003 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.8 | -42.8 | 177.1 | -60.2 | 170.5 | 0 | 0 | 0 | 110.9 | L4244 L4248 L4274 A4277 V4327 T4328 N4333 A4334 Q4335 | L4244-I4331 HydrophobicContact CD2-CG2 4.22Å; L4248-I4331 HydrophobicContact CB-CG2 3.82Å; L4248-I4331 HydrophobicContact CD1-CB 4Å; L4248-I4331 HydrophobicContact CD1-CG2 3.88Å; L4248-I4331 HydrophobicContact CG-CG2 4.41Å; L4274-I4331 HydrophobicContact CD2-CD1 3.85Å; L4274-I4331 HydrophobicContact CD2-CG1 3.91Å; L4274-I4331 HydrophobicContact CG-CD1 4.4Å; A4277-I4331 HydrophobicContact CB-CG1 4.44Å; V4327-I4331 HydrophobicContact CG1-CD1 4Å; V4327-I4331 WeakPolarHBondContact O-CG1 3.27Å; V4327-I4331 PolarHBondContact O-N 3.14Å; V4327-I4331 VanDerWaalsContact O-N 3.13Å; T4328-I4331 PolarHBondContact O-N 3.18Å; I4331-N4333 VanDerWaalsContact C-N 3.29Å; I4331-N4333 PolarHBondContact O-N 2.89Å; I4331-A4334 PolarHBondContact O-N 3.4Å; I4331-Q4335 PolarHBondContact O-N 3.32Å |
| 4332 | E | 74.6 | Confident | 65.3 | Low | 74.5 Ų | 74.5 | 48.5 Ų | 48.5 | 35% | 0.348 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57.4 | -41.9 | 176.3 | -76.9 | -174.1 | 172.2 | 0 | 0 | 111.9 | L4248 T4328 Q4335 Q4336 | L4248-E4332 HydrophobicContact CD1-CB 4.48Å; L4248-E4332 HydrophobicContact CD1-CG 3.7Å; L4248-E4332 HydrophobicContact CD2-CG 3.73Å; L4248-E4332 HydrophobicContact CG-CG 4.47Å; T4328-E4332 HydrophobicContact CG2-CG 4.36Å; T4328-E4332 WeakPolarHBondContact O-CB 3.36Å; T4328-E4332 WeakPolarHBondContact O-CG 3.35Å; T4328-E4332 PolarHBondContact O-N 2.84Å; E4332-Q4335 PolarHBondContact O-N 3.35Å; E4332-Q4336 WeakPolarHBondContact O-CG 3.24Å; E4332-Q4336 PolarHBondContact O-N 3.36Å |
| 4333 | N | 71.1 | Confident | 64.5 | Low | 33.5 Ų | 33.5 | 50.4 Ų | 50.4 | 18% | 0.179 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 178.6 | -169.9 | 56.7 | 0 | 0 | 0 | 112.1 | N4281 Y4285 L4329 I4331 Q4335 Q4336 L4337 | N4281-N4333 PolarHBondContact OD1-ND2 2.7Å; Y4285-N4333 HydrophobicContact CE2-CB 4.31Å; Y4285-N4333 WeakPolarHBondContact CE2-ND2 3.49Å; Y4285-N4333 WeakPolarHBondContact CE2-OD1 3.23Å; Y4285-N4333 WeakPolarHBondContact OH-CB 3.44Å; Y4285-N4333 PolarHBondContact OH-OD1 3.16Å; L4329-N4333 WeakPolarHBondContact O-CB 3.44Å; L4329-N4333 PolarHBondContact O-N 3.35Å; I4331-N4333 VanDerWaalsContact C-N 3.29Å; I4331-N4333 PolarHBondContact O-N 2.89Å; N4333-Q4335 VanDerWaalsContact C-N 3.28Å; N4333-Q4335 PolarHBondContact O-N 3Å; N4333-Q4336 PolarHBondContact O-N 3.44Å; N4333-Q4336 VanDerWaalsContact O-N 3.12Å; N4333-L4337 WeakPolarHBondContact ND2-CD1 3.45Å; N4333-L4337 WeakPolarHBondContact O-CG 3.35Å; N4333-L4337 PolarHBondContact O-N 2.9Å |
| 4334 | A | 70.8 | Confident | 63.2 | Low | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L4244 A4277 I4280 F4330 I4331 L4337 L4338 | L4244-A4334 HydrophobicContact CD1-CB 4.13Å; L4244-A4334 HydrophobicContact CD2-CB 4.4Å; A4277-A4334 VanDerWaalsContact CA-CB 3.49Å; A4277-A4334 HydrophobicContact CB-CB 3.59Å; I4280-A4334 HydrophobicContact CB-CB 4.12Å; I4280-A4334 HydrophobicContact CD1-CB 4.28Å; I4280-A4334 HydrophobicContact CG2-CB 4.09Å; F4330-A4334 PolarHBondContact O-N 2.91Å; I4331-A4334 PolarHBondContact O-N 3.4Å; A4334-L4337 PolarHBondContact O-N 3.4Å; A4334-L4338 WeakPolarHBondContact O-CB 3.47Å; A4334-L4338 PolarHBondContact O-N 3.36Å; A4334-L4338 VanDerWaalsContact O-N 3.12Å |
| 4335 | Q | 71.8 | Confident | 61.7 | Low | 39 Ų | 39 | 57.4 Ų | 57.4 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 175 | -171.3 | -177.2 | -25.7 | 0 | 0 | 111.5 | L4244 I4331 E4332 N4333 L4337 L4338 E4339 | L4244-Q4335 HydrophobicContact CD1-CB 4.3Å; I4331-Q4335 PolarHBondContact O-N 3.32Å; E4332-Q4335 PolarHBondContact O-N 3.35Å; N4333-Q4335 VanDerWaalsContact C-N 3.28Å; N4333-Q4335 PolarHBondContact O-N 3Å; Q4335-L4337 VanDerWaalsContact C-N 3.32Å; Q4335-L4337 PolarHBondContact O-N 2.93Å; Q4335-L4338 PolarHBondContact O-N 2.8Å; Q4335-L4338 VanDerWaalsContact O-N 3.16Å; Q4335-E4339 PolarHBondContact NE2-OE1 3.28Å; Q4335-E4339 WeakPolarHBondContact O-CG 3.29Å; Q4335-E4339 PolarHBondContact O-N 3.07Å |
| 4336 | Q | 67.3 | Low | 60 | Low | 102 Ų | 102 | 63.1 Ų | 63.1 | 48% | 0.477 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 176.8 | -71.9 | 176.2 | 27.9 | 0 | 0 | 112.4 | E4332 N4333 E4339 Q4340 | E4332-Q4336 WeakPolarHBondContact O-CG 3.24Å; E4332-Q4336 PolarHBondContact O-N 3.36Å; N4333-Q4336 PolarHBondContact O-N 3.44Å; N4333-Q4336 VanDerWaalsContact O-N 3.12Å; Q4336-E4339 PolarHBondContact O-N 3.44Å; Q4336-Q4340 VanDerWaalsContact O-CG 3.3Å; Q4336-Q4340 WeakPolarHBondContact O-CG 3.21Å; Q4336-Q4340 PolarHBondContact O-N 3.04Å |
| 4337 | L | 66.2 | Low | 58.2 | Low | 47.5 Ų | 47.5 | 66.1 Ų | 66.1 | 25% | 0.249 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 176.1 | -73 | 173.3 | 0 | 0 | 0 | 112.1 | I4280 N4281 N4333 A4334 Q4335 E4339 Q4340 L4341 | I4280-L4337 HydrophobicContact CG2-CB 3.78Å; I4280-L4337 HydrophobicContact CG2-CD1 4.07Å; I4280-L4337 HydrophobicContact CG2-CG 4.49Å; N4281-L4337 WeakPolarHBondContact OD1-CD1 3.4Å; N4333-L4337 WeakPolarHBondContact ND2-CD1 3.45Å; N4333-L4337 WeakPolarHBondContact O-CG 3.35Å; N4333-L4337 PolarHBondContact O-N 2.9Å; A4334-L4337 PolarHBondContact O-N 3.4Å; Q4335-L4337 VanDerWaalsContact C-N 3.32Å; Q4335-L4337 PolarHBondContact O-N 2.93Å; L4337-E4339 VanDerWaalsContact C-N 3.32Å; L4337-E4339 PolarHBondContact O-N 3.33Å; L4337-Q4340 PolarHBondContact O-N 3.45Å; L4337-L4341 WeakPolarHBondContact O-CG 3.38Å; L4337-L4341 PolarHBondContact O-N 2.76Å |
| 4338 | L | 67 | Low | 55.9 | Low | 6 Ų | 6 | 71.2 Ų | 71.2 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.1 | -35.6 | 174 | -119.9 | 128.3 | 0 | 0 | 0 | 112.4 | L4237 N4240 K4241 L4244 I4280 A4334 Q4335 L4341 T4342 | L4237-L4338 HydrophobicContact CD2-CD1 4.28Å; L4237-L4338 HydrophobicContact CD2-CD2 4.14Å; N4240-L4338 HydrophobicContact CB-CD1 4.02Å; N4240-L4338 HydrophobicContact CB-CD2 4.31Å; K4241-L4338 HydrophobicContact CB-CD2 3.79Å; K4241-L4338 WeakPolarHBondContact CE-O 3.33Å; K4241-L4338 HydrophobicContact CG-CB 3.99Å; K4241-L4338 HydrophobicContact CG-CD1 4.02Å; K4241-L4338 HydrophobicContact CG-CD2 4.4Å; K4241-L4338 PolarHBondContact NZ-O 3.14Å; L4244-L4338 HydrophobicContact CD1-CD1 3.82Å; L4244-L4338 HydrophobicContact CD1-CD2 4.02Å; I4280-L4338 HydrophobicContact CD1-CB 4.38Å; I4280-L4338 HydrophobicContact CD1-CD1 3.98Å; I4280-L4338 HydrophobicContact CD1-CD2 3.98Å; I4280-L4338 HydrophobicContact CD1-CG 3.76Å; I4280-L4338 HydrophobicContact CG1-CD2 4.4Å; A4334-L4338 WeakPolarHBondContact O-CB 3.47Å; A4334-L4338 PolarHBondContact O-N 3.36Å; A4334-L4338 VanDerWaalsContact O-N 3.12Å; Q4335-L4338 PolarHBondContact O-N 2.8Å; Q4335-L4338 VanDerWaalsContact O-N 3.16Å; L4338-L4341 HydrophobicContact CD2-CD1 4.14Å; L4338-L4341 PolarHBondContact O-N 3.05Å; L4338-T4342 PolarHBondContact O-N 3.47Å; L4338-T4342 VanDerWaalsContact O-N 3.17Å; L4338-T4342 PolarHBondContact O-OG1 3Å |
| 4339 | E | 60.3 | Low | 53.7 | Low | 88.5 Ų | 88.5 | 74.6 Ų | 74.6 | 41% | 0.414 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.9 | -37.5 | 175.3 | -74.7 | -176.8 | 176.3 | 0 | 0 | 112.4 | K4241 Q4335 Q4336 L4337 L4341 T4342 Y4343 | K4241-E4339 WeakPolarHBondContact CE-OE1 3.12Å; K4241-E4339 IonicContact NZ-OE1 3.34Å; K4241-E4339 PolarHBondContact NZ-OE1 2.93Å; Q4335-E4339 PolarHBondContact NE2-OE1 3.28Å; Q4335-E4339 WeakPolarHBondContact O-CG 3.29Å; Q4335-E4339 PolarHBondContact O-N 3.07Å; Q4336-E4339 PolarHBondContact O-N 3.44Å; L4337-E4339 VanDerWaalsContact C-N 3.32Å; L4337-E4339 PolarHBondContact O-N 3.33Å; E4339-L4341 VanDerWaalsContact C-N 3.31Å; E4339-L4341 PolarHBondContact O-N 3.03Å; E4339-T4342 WeakPolarHBondContact CA-OG1 3.48Å; E4339-T4342 PolarHBondContact O-N 3.29Å; E4339-T4342 PolarHBondContact O-OG1 3.15Å; E4339-Y4343 WeakPolarHBondContact O-CD2 3.28Å; E4339-Y4343 PolarHBondContact O-N 2.93Å |
| 4340 | Q | 55.2 | Low | 51.6 | Low | 125.5 Ų | 125.5 | 78.1 Ų | 78.1 | 59% | 0.586 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -67.2 | -28.5 | 177.3 | -71.9 | 174.6 | 20.6 | 0 | 0 | 113.4 | Q4336 L4337 T4342 Y4343 S4344 | Q4336-Q4340 VanDerWaalsContact O-CG 3.3Å; Q4336-Q4340 WeakPolarHBondContact O-CG 3.21Å; Q4336-Q4340 PolarHBondContact O-N 3.04Å; L4337-Q4340 PolarHBondContact O-N 3.45Å; Q4340-T4342 VanDerWaalsContact C-N 3.35Å; Q4340-T4342 PolarHBondContact O-N 3.38Å; Q4340-Y4343 PolarHBondContact O-N 3.44Å; Q4340-S4344 PolarHBondContact O-N 3.41Å |
| 4341 | L | 51.3 | Low | 49.3 | Very low | 77 Ų | 77 | 81.4 Ų | 81.4 | 40% | 0.403 | 45% | 0.453 | S | S | . | . | trans | -69.3 | 31.4 | 178.4 | -74.7 | 165.5 | 0 | 0 | 0 | 112.3 | R4147 L4337 L4338 E4339 Y4343 S4344 | R4147-L4341 HydrophobicContact CG-CD1 3.97Å; L4337-L4341 WeakPolarHBondContact O-CG 3.38Å; L4337-L4341 PolarHBondContact O-N 2.76Å; L4338-L4341 HydrophobicContact CD2-CD1 4.14Å; L4338-L4341 PolarHBondContact O-N 3.05Å; E4339-L4341 VanDerWaalsContact C-N 3.31Å; E4339-L4341 PolarHBondContact O-N 3.03Å; L4341-Y4343 PolarHBondContact O-N 3.48Å; L4341-S4344 PolarHBondContact O-N 2.92Å; L4341-S4344 PolarHBondContact O-OG 3.05Å; L4341-S4344 VanDerWaalsContact O-OG 3.12Å | ||
| 4342 | T | 44.2 | Very low | 47 | Very low | 81.5 Ų | 81.5 | 87 Ų | 87 | 50% | 0.5 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -83.2 | 45.8 | 173.6 | 26.3 | 0 | 0 | 0 | 0 | 111.1 | L4338 E4339 Q4340 S4344 | L4338-T4342 PolarHBondContact O-N 3.47Å; L4338-T4342 VanDerWaalsContact O-N 3.17Å; L4338-T4342 PolarHBondContact O-OG1 3Å; E4339-T4342 WeakPolarHBondContact CA-OG1 3.48Å; E4339-T4342 PolarHBondContact O-N 3.29Å; E4339-T4342 PolarHBondContact O-OG1 3.15Å; Q4340-T4342 VanDerWaalsContact C-N 3.35Å; Q4340-T4342 PolarHBondContact O-N 3.38Å; T4342-S4344 PolarHBondContact O-N 3.35Å |
| 4343 | Y | 35.7 | Very low | 44.8 | Very low | 117.5 Ų | 117.5 | 87.7 Ų | 87.7 | 46% | 0.461 | 50% | 0.495 | S | S | . | . | trans | -72 | 42.9 | 174 | -84.6 | -81.5 | 0 | 0 | 0 | 112.3 | I4150 L4234 L4237 E4339 Q4340 L4341 | I4150-Y4343 HydrophobicContact CG2-CE1 4.36Å; I4150-Y4343 VanDerWaalsContact CG2-OH 3.22Å; I4150-Y4343 WeakPolarHBondContact CG2-OH 3.48Å; L4234-Y4343 HydrophobicContact CD2-CD2 3.59Å; L4234-Y4343 HydrophobicContact CD2-CE2 3.62Å; L4234-Y4343 HydrophobicContact CG-CD2 4.33Å; L4234-Y4343 HydrophobicContact CG-CE2 4.03Å; L4237-Y4343 HydrophobicContact CD1-CE2 3.83Å; E4339-Y4343 WeakPolarHBondContact O-CD2 3.28Å; E4339-Y4343 PolarHBondContact O-N 2.93Å; Q4340-Y4343 PolarHBondContact O-N 3.44Å; L4341-Y4343 PolarHBondContact O-N 3.48Å | ||
| 4344 | S | 33.2 | Very low | 42.6 | Very low | 85 Ų | 85 | 92.9 Ų | 92.9 | 59% | 0.594 | 52% | 0.523 | S | S | * | . | trans | -100.1 | 39.4 | -179.7 | 64.6 | 0 | 0 | 0 | 0 | 112.7 | Q4340 L4341 T4342 K4346 | Q4340-S4344 PolarHBondContact O-N 3.41Å; L4341-S4344 PolarHBondContact O-N 2.92Å; L4341-S4344 PolarHBondContact O-OG 3.05Å; L4341-S4344 VanDerWaalsContact O-OG 3.12Å; T4342-S4344 PolarHBondContact O-N 3.35Å; S4344-K4346 PolarHBondContact O-N 3.07Å | ||
| 4345 | C | 31.9 | Very low | 40.6 | Very low | 96.5 Ų | 96.5 | 101.5 Ų | 101.5 | 65% | 0.652 | 56% | 0.563 | S | S | * | * | trans | -71.2 | 77.4 | 173.5 | -120.8 | 0 | 0 | 0 | 0 | 111 | V4347 | C4345-V4347 VanDerWaalsContact C-N 3.31Å; C4345-V4347 PolarHBondContact O-N 3.22Å; C4345-V4347 WeakPolarHBondContact SG-CG2 3.48Å | ||
| 4346 | K | 27.4 | Very low | 38.5 | Very low | 195.5 Ų | 195.5 | 103.7 Ų | 103.7 | 85% | 0.85 | 58% | 0.582 | S | S | * | * | trans | -73.3 | 78.9 | 167.9 | -73.9 | -178.2 | 178.1 | 175.4 | 0 | 109.6 | S4344 S4348 | S4344-K4346 PolarHBondContact O-N 3.07Å; K4346-S4348 PolarHBondContact O-N 3.46Å | ||
| 4347 | V | 28.8 | Very low | 36.6 | Very low | 96.5 Ų | 96.5 | 106.5 Ų | 106.5 | 59% | 0.585 | 59% | 0.593 | S | S | * | * | trans | -67.8 | 119.5 | 161.7 | -173.4 | 0 | 0 | 0 | 0 | 107.3 | C4345 T4349 | C4345-V4347 VanDerWaalsContact C-N 3.31Å; C4345-V4347 PolarHBondContact O-N 3.22Å; C4345-V4347 WeakPolarHBondContact SG-CG2 3.48Å; V4347-T4349 HydrophobicContact CB-CG2 4.3Å; V4347-T4349 HydrophobicContact CG1-CG2 3.68Å; V4347-T4349 PolarHBondContact O-N 3.2Å | ||
| 4348 | S | 24.3 | Very low | 34.8 | Very low | 107.5 Ų | 107.5 | 111.5 Ų | 111.5 | 75% | 0.752 | 62% | 0.62 | S | S | * | * | trans | -68.2 | 82 | 179.2 | 61.1 | 0 | 0 | 0 | 0 | 111.1 | K4346 N4350 | K4346-S4348 PolarHBondContact O-N 3.46Å; S4348-N4350 VanDerWaalsContact C-N 3.34Å; S4348-N4350 PolarHBondContact O-N 3.2Å | ||
| 4349 | T | 27.4 | Very low | 32.9 | Very low | 88.5 Ų | 88.5 | 121 Ų | 121 | 54% | 0.543 | 66% | 0.661 | S | S | . | * | trans | -84.1 | 82.7 | 173.2 | 44.3 | 0 | 0 | 0 | 0 | 109.2 | V4347 G4351 | V4347-T4349 HydrophobicContact CB-CG2 4.3Å; V4347-T4349 HydrophobicContact CG1-CG2 3.68Å; V4347-T4349 PolarHBondContact O-N 3.2Å; T4349-G4351 VanDerWaalsContact C-N 3.3Å; T4349-G4351 PolarHBondContact O-N 3.34Å | ||
| 4350 | N | 24.4 | Very low | 31.3 | Very low | 170 Ų | 170 | 124.1 Ų | 124.1 | 91% | 0.909 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | 97.3 | 166.5 | -82 | -15.6 | 0 | 0 | 0 | 109.2 | S4348 | S4348-N4350 VanDerWaalsContact C-N 3.34Å; S4348-N4350 PolarHBondContact O-N 3.2Å |
| 4351 | G | 28.6 | Very low | 30.1 | Very low | 77.5 Ų | 77.5 | 127.5 Ų | 127.5 | 80% | 0.799 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 146.6 | -10.7 | 170 | 0 | 0 | 0 | 0 | 0 | 117.9 | T4349 | T4349-G4351 VanDerWaalsContact C-N 3.3Å; T4349-G4351 PolarHBondContact O-N 3.34Å |
| 4352 | I | 26.1 | Very low | 29.1 | Very low | 117.5 Ų | 117.5 | 127.3 Ų | 127.3 | 60% | 0.603 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -111.7 | 128.9 | -177.5 | -54.2 | 177.2 | 0 | 0 | 0 | 110 | ||
| 4353 | S | 27 | Very low | 28.6 | Very low | 89 Ų | 89 | 126.8 Ų | 126.8 | 62% | 0.622 | 69% | 0.687 | S | S | * | * | trans | -71.1 | 130.3 | -173.1 | 62.2 | 0 | 0 | 0 | 0 | 112.8 | H4355 | S4353-H4355 PolarHBondContact O-N 3.18Š| ||
| 4354 | N | 26 | Very low | 28.6 | Very low | 142.5 Ų | 142.5 | 123.1 Ų | 123.1 | 76% | 0.762 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -64.8 | 11 | -172.3 | -74.1 | -21.4 | 0 | 0 | 0 | 116.4 | ||
| 4355 | H | 27.8 | Very low | 28.6 | Very low | 182 Ų | 182 | 126 Ų | 126 | 84% | 0.843 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -93.1 | -10 | -171.7 | -78.8 | -57.4 | 0 | 0 | 0 | 115.8 | S4353 | S4353-H4355 PolarHBondContact O-N 3.18Š|
| 4356 | S | 28.8 | Very low | 29 | Very low | 84.5 Ų | 84.5 | 124.3 Ų | 124.3 | 59% | 0.591 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -92.1 | -14.8 | 179.8 | 50.2 | 0 | 0 | 0 | 0 | 115.3 | N4358 | S4356-N4358 PolarHBondContact O-N 3.26Š|
| 4357 | F | 27.6 | Very low | 29.4 | Very low | 159.5 Ų | 159.5 | 117.9 Ų | 117.9 | 70% | 0.7 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -4.8 | -169.4 | -87.7 | -82.2 | 0 | 0 | 0 | 116.5 | K4359 | F4357-K4359 PolarHBondContact O-N 3.11Š|
| 4358 | N | 28.4 | Very low | 29.9 | Very low | 154.5 Ų | 154.5 | 116.2 Ų | 116.2 | 83% | 0.826 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 8.8 | -166.2 | -102.5 | -5 | 0 | 0 | 0 | 116.8 | S4356 | S4356-N4358 PolarHBondContact O-N 3.26Š|
| 4359 | K | 26.4 | Very low | 30.5 | Very low | 203.5 Ų | 203.5 | 118 Ų | 118 | 89% | 0.885 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.9 | 1 | -174.9 | -85.5 | -169.3 | 177.8 | 179.7 | 0 | 118.3 | F4357 | F4357-K4359 PolarHBondContact O-N 3.11Š|
| 4360 | Q | 27.7 | Very low | 30.9 | Very low | 155 Ų | 155 | 118.9 Ų | 118.9 | 72% | 0.724 | 62% | 0.623 | S | S | * | * | trans | -112.3 | 105.1 | 177.1 | -70.9 | -175.9 | -6 | 0 | 0 | 111 | T4362 | Q4360-T4362 VanDerWaalsContact C-N 3.33Å; Q4360-T4362 HydrophobicContact CB-CG2 4.43Å; Q4360-T4362 PolarHBondContact O-N 3.06Å; Q4360-T4362 VanDerWaalsContact O-N 3.08Å | ||
| 4361 | K | 28.4 | Very low | 31.4 | Very low | 195.5 Ų | 195.5 | 113.1 Ų | 113.1 | 85% | 0.85 | 59% | 0.592 | S | S | * | * | trans | -62 | 103.7 | 159.1 | -75.1 | -178.5 | 174.5 | -176.5 | 0 | 107.2 | T4363 | K4361-T4363 PolarHBondContact O-N 2.94Š| ||
| 4362 | T | 30.5 | Very low | 31.7 | Very low | 73 Ų | 73 | 112.5 Ų | 112.5 | 45% | 0.448 | 58% | 0.575 | S | S | . | * | trans | -69.3 | 102 | 174.5 | 34.6 | 0 | 0 | 0 | 0 | 109.5 | Q4360 N4366 | Q4360-T4362 VanDerWaalsContact C-N 3.33Å; Q4360-T4362 HydrophobicContact CB-CG2 4.43Å; Q4360-T4362 PolarHBondContact O-N 3.06Å; Q4360-T4362 VanDerWaalsContact O-N 3.08Å; T4362-N4366 HydrophobicContact CG2-CB 4.08Å | ||
| 4363 | T | 34.2 | Very low | 31.7 | Very low | 71.5 Ų | 71.5 | 110.2 Ų | 110.2 | 44% | 0.439 | 57% | 0.569 | S | S | . | * | trans | -70.4 | 153.2 | 166 | 48.2 | 0 | 0 | 0 | 0 | 109.5 | K4361 E4365 N4366 L4367 | K4361-T4363 PolarHBondContact O-N 2.94Å; T4363-E4365 PolarHBondContact O-N 3.33Å; T4363-E4365 VanDerWaalsContact O-N 3.1Å; T4363-N4366 WeakPolarHBondContact O-CB 3.48Å; T4363-N4366 PolarHBondContact O-N 3.11Å; T4363-N4366 PolarHBondContact OG1-ND2 3.32Å; T4363-L4367 PolarHBondContact O-N 3.13Å | ||
| 4364 | A | 35.2 | Very low | 31.9 | Very low | 40.5 Ų | 40.5 | 110 Ų | 110 | 34% | 0.335 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -55.4 | -30.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L4188 N4366 L4367 W4368 | L4188-A4364 HydrophobicContact CD1-CB 4.27Å; L4188-A4364 HydrophobicContact CD2-CB 3.61Å; L4188-A4364 HydrophobicContact CG-CB 4.49Å; A4364-N4366 VanDerWaalsContact C-N 3.3Å; A4364-N4366 PolarHBondContact O-N 3.28Å; A4364-L4367 PolarHBondContact O-N 3.05Å; A4364-W4368 PolarHBondContact O-N 3.14Å |
| 4365 | E | 34.6 | Very low | 32 | Very low | 144.5 Ų | 144.5 | 106 Ų | 106 | 68% | 0.675 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.5 | -35.2 | 173.1 | -88.2 | 178.3 | 152.9 | 0 | 0 | 113.6 | T4363 W4368 K4369 | T4363-E4365 PolarHBondContact O-N 3.33Å; T4363-E4365 VanDerWaalsContact O-N 3.1Å; E4365-W4368 PolarHBondContact O-N 3.18Å; E4365-K4369 PolarHBondContact O-N 2.95Å |
| 4366 | N | 38.6 | Very low | 32.2 | Very low | 62.5 Ų | 62.5 | 102.5 Ų | 102.5 | 33% | 0.334 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -76.6 | -31.5 | 178.5 | -72.3 | -24.1 | 0 | 0 | 0 | 111.9 | T4362 T4363 A4364 K4369 L4370 | T4362-N4366 HydrophobicContact CG2-CB 4.08Å; T4363-N4366 WeakPolarHBondContact O-CB 3.48Å; T4363-N4366 PolarHBondContact O-N 3.11Å; T4363-N4366 PolarHBondContact OG1-ND2 3.32Å; A4364-N4366 VanDerWaalsContact C-N 3.3Å; A4364-N4366 PolarHBondContact O-N 3.28Å; N4366-K4369 PolarHBondContact O-N 3.37Å; N4366-L4370 PolarHBondContact O-N 3.25Å |
| 4367 | L | 37.6 | Very low | 32.4 | Very low | 61 Ų | 61 | 106.1 Ų | 106.1 | 32% | 0.319 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.9 | -39.1 | 169.8 | -75.1 | 169.3 | 0 | 0 | 0 | 111 | T4363 A4364 K4369 L4370 I4371 | T4363-L4367 PolarHBondContact O-N 3.13Å; A4364-L4367 PolarHBondContact O-N 3.05Å; L4367-K4369 VanDerWaalsContact C-N 3.33Å; L4367-K4369 PolarHBondContact O-N 3.31Å; L4367-L4370 HydrophobicContact CD2-CD1 4.37Å; L4367-L4370 WeakPolarHBondContact O-CA 3.42Å; L4367-L4370 WeakPolarHBondContact O-CB 3.42Å; L4367-L4370 PolarHBondContact O-N 3.09Å; L4367-L4370 VanDerWaalsContact O-N 3.13Å; L4367-I4371 VanDerWaalsContact O-CG1 3.3Å; L4367-I4371 WeakPolarHBondContact O-CG1 3.43Å; L4367-I4371 PolarHBondContact O-N 3.48Å; L4367-I4371 VanDerWaalsContact O-N 3.12Å |
| 4368 | W | 37.9 | Very low | 32.7 | Very low | 61 Ų | 61 | 101.4 Ų | 101.4 | 23% | 0.231 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 173.1 | -103.9 | 120.4 | 0 | 0 | 0 | 112.9 | L4188 Y4191 L4235 Q4238 A4364 E4365 L4370 I4371 S4372 | L4188-W4368 HydrophobicContact CD1-CH2 4.4Å; L4188-W4368 HydrophobicContact CD2-CH2 4.16Å; L4188-W4368 HydrophobicContact CD2-CZ3 3.92Å; Y4191-W4368 AromaticContact CD1-CD1 3.8Å; Y4191-W4368 AromaticContact CD1-CE2 3.59Å; Y4191-W4368 AromaticContact CD1-CZ2 3.86Å; Y4191-W4368 HydrophobicContact CD1-CZ2 3.86Å; Y4191-W4368 AromaticContact CD1-NE1 2.88Å; Y4191-W4368 AromaticContact CD2-NE1 3.67Å; Y4191-W4368 AromaticContact CE1-CD1 3.46Å; Y4191-W4368 VanDerWaalsContact CE1-CD1 3.46Å; Y4191-W4368 AromaticContact CE1-CE2 3.73Å; Y4191-W4368 HydrophobicContact CE1-CG 4.4Å; Y4191-W4368 HydrophobicContact CE1-CZ2 4.29Å; Y4191-W4368 AromaticContact CE1-NE1 2.98Å; Y4191-W4368 AromaticContact CE2-CD1 3.75Å; Y4191-W4368 AromaticContact CE2-NE1 3.79Å; Y4191-W4368 AromaticContact CG-NE1 3.24Å; Y4191-W4368 AromaticContact CZ-CD1 3.43Å; Y4191-W4368 VanDerWaalsContact CZ-CD1 3.43Å; Y4191-W4368 AromaticContact CZ-NE1 3.45Å; L4235-W4368 HydrophobicContact CD2-CH2 3.98Å; Q4238-W4368 HydrophobicContact CB-CZ2 3.95Å; Q4238-W4368 HydrophobicContact CG-CZ2 3.96Å; A4364-W4368 PolarHBondContact O-N 3.14Å; E4365-W4368 PolarHBondContact O-N 3.18Å; W4368-L4370 VanDerWaalsContact C-N 3.34Å; W4368-L4370 PolarHBondContact O-N 3.29Å; W4368-I4371 HydrophobicContact CE3-CB 3.77Å; W4368-I4371 HydrophobicContact CE3-CG2 4.05Å; W4368-I4371 HydrophobicContact CH2-CG2 4.39Å; W4368-I4371 HydrophobicContact CZ3-CB 3.97Å; W4368-I4371 HydrophobicContact CZ3-CG2 3.7Å; W4368-I4371 PolarHBondContact O-N 3.03Å; W4368-I4371 VanDerWaalsContact O-N 3.14Å; W4368-S4372 VanDerWaalsContact O-CB 3.3Å; W4368-S4372 WeakPolarHBondContact O-CB 3.3Å; W4368-S4372 PolarHBondContact O-N 3.08Å; W4368-S4372 PolarHBondContact O-OG 3.1Å; W4368-S4372 VanDerWaalsContact O-OG 3.07Å |
| 4369 | K | 37.2 | Very low | 32.9 | Very low | 144 Ų | 144 | 97.3 Ų | 97.3 | 63% | 0.626 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.2 | -32.6 | 171.2 | -78.5 | 178.8 | 178.4 | 173.9 | 0 | 113 | E4365 N4366 L4367 S4372 C4373 | E4365-K4369 PolarHBondContact O-N 2.95Å; N4366-K4369 PolarHBondContact O-N 3.37Å; L4367-K4369 VanDerWaalsContact C-N 3.33Å; L4367-K4369 PolarHBondContact O-N 3.31Å; K4369-S4372 WeakPolarHBondContact CA-OG 3.21Å; K4369-S4372 PolarHBondContact O-OG 2.82Å; K4369-C4373 WeakPolarHBondContact O-CB 3.26Å; K4369-C4373 PolarHBondContact O-SG 3.27Å; K4369-C4373 VanDerWaalsContact O-SG 3.33Å |
| 4370 | L | 35.2 | Very low | 33.3 | Very low | 107.5 Ų | 107.5 | 95.2 Ų | 95.2 | 56% | 0.563 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -71 | -36.6 | 174.3 | -103.6 | 131.1 | 0 | 0 | 0 | 112.7 | N4366 L4367 W4368 | N4366-L4370 PolarHBondContact O-N 3.25Å; L4367-L4370 HydrophobicContact CD2-CD1 4.37Å; L4367-L4370 WeakPolarHBondContact O-CA 3.42Å; L4367-L4370 WeakPolarHBondContact O-CB 3.42Å; L4367-L4370 PolarHBondContact O-N 3.09Å; L4367-L4370 VanDerWaalsContact O-N 3.13Å; W4368-L4370 VanDerWaalsContact C-N 3.34Å; W4368-L4370 PolarHBondContact O-N 3.29Å |
| 4371 | I | 35.2 | Very low | 33.7 | Very low | 49.5 Ų | 49.5 | 92.7 Ų | 92.7 | 25% | 0.254 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -81.1 | -36.5 | -179 | -62.5 | 163.5 | 0 | 0 | 0 | 111.7 | L4234 L4367 W4368 C4373 | L4234-I4371 HydrophobicContact CD1-CD1 3.57Å; L4234-I4371 HydrophobicContact CD1-CG1 4.09Å; L4367-I4371 VanDerWaalsContact O-CG1 3.3Å; L4367-I4371 WeakPolarHBondContact O-CG1 3.43Å; L4367-I4371 PolarHBondContact O-N 3.48Å; L4367-I4371 VanDerWaalsContact O-N 3.12Å; W4368-I4371 HydrophobicContact CE3-CB 3.77Å; W4368-I4371 HydrophobicContact CE3-CG2 4.05Å; W4368-I4371 HydrophobicContact CH2-CG2 4.39Å; W4368-I4371 HydrophobicContact CZ3-CB 3.97Å; W4368-I4371 HydrophobicContact CZ3-CG2 3.7Å; W4368-I4371 PolarHBondContact O-N 3.03Å; W4368-I4371 VanDerWaalsContact O-N 3.14Å; I4371-C4373 VanDerWaalsContact C-N 3.29Å; I4371-C4373 PolarHBondContact O-N 3.09Å |
| 4372 | S | 35.4 | Very low | 33.9 | Very low | 64 Ų | 64 | 88.5 Ų | 88.5 | 45% | 0.448 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -70.5 | -18.6 | -179.4 | 9 | 0 | 0 | 0 | 0 | 113.4 | W4368 K4369 Q4374 | W4368-S4372 VanDerWaalsContact O-CB 3.3Å; W4368-S4372 WeakPolarHBondContact O-CB 3.3Å; W4368-S4372 PolarHBondContact O-N 3.08Å; W4368-S4372 PolarHBondContact O-OG 3.1Å; W4368-S4372 VanDerWaalsContact O-OG 3.07Å; K4369-S4372 WeakPolarHBondContact CA-OG 3.21Å; K4369-S4372 PolarHBondContact O-OG 2.82Å; S4372-Q4374 PolarHBondContact O-N 2.93Å |
| 4373 | C | 26.3 | Very low | 34 | Very low | 69 Ų | 69 | 89.7 Ų | 89.7 | 47% | 0.466 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 41.7 | -173.2 | -64.4 | 0 | 0 | 0 | 0 | 113.1 | K4369 I4371 I4379 | K4369-C4373 WeakPolarHBondContact O-CB 3.26Å; K4369-C4373 PolarHBondContact O-SG 3.27Å; K4369-C4373 VanDerWaalsContact O-SG 3.33Å; I4371-C4373 VanDerWaalsContact C-N 3.29Å; I4371-C4373 PolarHBondContact O-N 3.09Å; C4373-I4379 WeakPolarHBondContact O-CD1 3.45Å; C4373-I4379 WeakPolarHBondContact O-CG1 3.33Å |
| 4374 | Q | 30 | Very low | 34.1 | Very low | 85 Ų | 85 | 88.7 Ų | 88.7 | 40% | 0.397 | 47% | 0.471 | S | S | . | . | trans | -137.1 | 66.4 | 167 | -84.6 | 167.1 | 15.1 | 0 | 0 | 114.2 | S4372 V4378 I4379 E4382 | S4372-Q4374 PolarHBondContact O-N 2.93Å; Q4374-V4378 HydrophobicContact CG-CB 4.36Å; Q4374-I4379 HydrophobicContact CB-CD1 4.25Å; Q4374-I4379 HydrophobicContact CB-CG1 4.28Å; Q4374-I4379 VanDerWaalsContact CD-CG1 3.41Å; Q4374-I4379 HydrophobicContact CG-CD1 4.1Å; Q4374-I4379 HydrophobicContact CG-CG1 3.62Å; Q4374-E4382 PolarHBondContact NE2-OE2 3.4Å | ||
| 4375 | S | 29.2 | Very low | 34 | Very low | 59.5 Ų | 59.5 | 91.7 Ų | 91.7 | 42% | 0.416 | 48% | 0.482 | S | S | . | . | trans | -73.1 | 135.8 | 152 | 59.3 | 0 | 0 | 0 | 0 | 108.8 | E4377 V4378 I4379 | S4375-E4377 PolarHBondContact O-N 3.07Å; S4375-V4378 PolarHBondContact O-N 3.19Å; S4375-V4378 WeakPolarHBondContact OG-CB 3.42Å; S4375-V4378 WeakPolarHBondContact OG-CG2 3.4Å; S4375-I4379 PolarHBondContact O-N 3.48Å | ||
| 4376 | P | 31.7 | Very low | 33.9 | Very low | 107.5 Ų | 107.5 | 87.5 Ų | 87.5 | 70% | 0.698 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -14.4 | -172.3 | 1.3 | -2.1 | 0 | 0 | 0 | 114.5 | I4379 E4380 | P4376-I4379 PolarHBondContact O-N 3.24Å; P4376-E4380 PolarHBondContact O-N 3.19Å |
| 4377 | E | 33.6 | Very low | 33.8 | Very low | 159.5 Ų | 159.5 | 89.7 Ų | 89.7 | 75% | 0.745 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -85.8 | -19.3 | -177.7 | -65.3 | 176.2 | 159.1 | 0 | 0 | 113.7 | S4375 | S4375-E4377 PolarHBondContact O-N 3.07Å |
| 4378 | V | 34.3 | Very low | 33.6 | Very low | 61 Ų | 61 | 92.9 Ų | 92.9 | 37% | 0.37 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -86.9 | -27.4 | 179 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | Q4374 S4375 E4380 N4381 E4382 | Q4374-V4378 HydrophobicContact CG-CB 4.36Å; S4375-V4378 PolarHBondContact O-N 3.19Å; S4375-V4378 WeakPolarHBondContact OG-CB 3.42Å; S4375-V4378 WeakPolarHBondContact OG-CG2 3.4Å; V4378-E4380 PolarHBondContact O-N 3.04Å; V4378-N4381 PolarHBondContact O-N 3.19Å; V4378-E4382 HydrophobicContact CG1-CG 4.12Å; V4378-E4382 WeakPolarHBondContact O-CB 3.12Å; V4378-E4382 PolarHBondContact O-N 3.32Å; V4378-E4382 VanDerWaalsContact O-N 3.15Å |
| 4379 | I | 32.7 | Very low | 33.3 | Very low | 69.5 Ų | 69.5 | 95 Ų | 95 | 36% | 0.356 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | -179.4 | -63.7 | 176.4 | 0 | 0 | 0 | 111.8 | C4373 Q4374 S4375 P4376 N4381 E4382 L4383 | C4373-I4379 WeakPolarHBondContact O-CD1 3.45Å; C4373-I4379 WeakPolarHBondContact O-CG1 3.33Å; Q4374-I4379 HydrophobicContact CB-CD1 4.25Å; Q4374-I4379 HydrophobicContact CB-CG1 4.28Å; Q4374-I4379 VanDerWaalsContact CD-CG1 3.41Å; Q4374-I4379 HydrophobicContact CG-CD1 4.1Å; Q4374-I4379 HydrophobicContact CG-CG1 3.62Å; S4375-I4379 PolarHBondContact O-N 3.48Å; P4376-I4379 PolarHBondContact O-N 3.24Å; I4379-N4381 VanDerWaalsContact C-N 3.25Å; I4379-N4381 PolarHBondContact O-N 2.97Å; I4379-E4382 PolarHBondContact O-N 3.24Å; I4379-L4383 HydrophobicContact CG2-CD1 3.59Å; I4379-L4383 VanDerWaalsContact CG2-CD1 3.41Å; I4379-L4383 HydrophobicContact CG2-CG 4.33Å; I4379-L4383 WeakPolarHBondContact O-CB 3.21Å; I4379-L4383 WeakPolarHBondContact O-CG 3.44Å; I4379-L4383 PolarHBondContact O-N 2.79Å |
| 4380 | E | 33.5 | Very low | 33 | Very low | 158 Ų | 158 | 96.6 Ų | 96.6 | 74% | 0.738 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.7 | -31.6 | 176 | -73.9 | -170.1 | 157 | 0 | 0 | 112.5 | P4376 V4378 S4384 | P4376-E4380 PolarHBondContact O-N 3.19Å; V4378-E4380 PolarHBondContact O-N 3.04Å; E4380-S4384 VanDerWaalsContact O-CB 3.22Å; E4380-S4384 WeakPolarHBondContact O-CB 3.45Å; E4380-S4384 PolarHBondContact O-N 2.96Å; E4380-S4384 PolarHBondContact O-OG 3.16Å |
| 4381 | N | 35.7 | Very low | 32.9 | Very low | 103 Ų | 103 | 98.1 Ų | 98.1 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -81 | -33.4 | 178.5 | -75.4 | -33.5 | 0 | 0 | 0 | 113.4 | V4378 I4379 S4384 N4385 | V4378-N4381 PolarHBondContact O-N 3.19Å; I4379-N4381 VanDerWaalsContact C-N 3.25Å; I4379-N4381 PolarHBondContact O-N 2.97Å; N4381-S4384 VanDerWaalsContact CA-OG 3.32Å; N4381-S4384 WeakPolarHBondContact CA-OG 3.43Å; N4381-S4384 PolarHBondContact O-OG 2.93Å; N4381-S4384 VanDerWaalsContact O-OG 3.12Å; N4381-N4385 VanDerWaalsContact O-CB 3.27Å; N4381-N4385 WeakPolarHBondContact O-CB 3.29Å; N4381-N4385 VanDerWaalsContact O-CG 3.22Å; N4381-N4385 PolarHBondContact O-N 3.18Å; N4381-N4385 PolarHBondContact O-ND2 3.07Å |
| 4382 | E | 32.8 | Very low | 32.6 | Very low | 107.5 Ų | 107.5 | 101.7 Ų | 101.7 | 50% | 0.502 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -83.4 | -30.1 | 176.3 | -73 | -171.2 | 144.2 | 0 | 0 | 113 | Q4374 V4378 I4379 S4386 | Q4374-E4382 PolarHBondContact NE2-OE2 3.4Å; V4378-E4382 HydrophobicContact CG1-CG 4.12Å; V4378-E4382 WeakPolarHBondContact O-CB 3.12Å; V4378-E4382 PolarHBondContact O-N 3.32Å; V4378-E4382 VanDerWaalsContact O-N 3.15Å; I4379-E4382 PolarHBondContact O-N 3.24Å; E4382-S4386 VanDerWaalsContact O-CB 3.25Å; E4382-S4386 WeakPolarHBondContact O-CB 3.34Å; E4382-S4386 PolarHBondContact O-N 3.09Å; E4382-S4386 PolarHBondContact O-OG 3.03Å; E4382-S4386 VanDerWaalsContact O-OG 3.1Å |
| 4383 | L | 32.3 | Very low | 32.2 | Very low | 98 Ų | 98 | 105.8 Ų | 105.8 | 51% | 0.513 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.6 | -38.4 | 168.5 | -79 | 167 | 0 | 0 | 0 | 111.7 | I4379 S4386 I4387 | I4379-L4383 HydrophobicContact CG2-CD1 3.59Å; I4379-L4383 VanDerWaalsContact CG2-CD1 3.41Å; I4379-L4383 HydrophobicContact CG2-CG 4.33Å; I4379-L4383 WeakPolarHBondContact O-CB 3.21Å; I4379-L4383 WeakPolarHBondContact O-CG 3.44Å; I4379-L4383 PolarHBondContact O-N 2.79Å; L4383-S4386 WeakPolarHBondContact CA-OG 3.37Å; L4383-S4386 PolarHBondContact O-N 3.35Å; L4383-S4386 PolarHBondContact O-OG 3.37Å; L4383-I4387 VanDerWaalsContact O-CB 3.27Å; L4383-I4387 WeakPolarHBondContact O-CB 3.36Å; L4383-I4387 WeakPolarHBondContact O-CD1 3.31Å; L4383-I4387 VanDerWaalsContact O-CG1 3.23Å; L4383-I4387 WeakPolarHBondContact O-CG1 3.31Å; L4383-I4387 PolarHBondContact O-N 3.14Å; L4383-I4387 VanDerWaalsContact O-N 3.15Å |
| 4384 | S | 36.7 | Very low | 32.2 | Very low | 51.5 Ų | 51.5 | 107.9 Ų | 107.9 | 36% | 0.36 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.9 | -39.8 | 173.6 | 52.3 | 0 | 0 | 0 | 0 | 112.1 | E4380 N4381 S4386 I4387 H4388 | E4380-S4384 VanDerWaalsContact O-CB 3.22Å; E4380-S4384 WeakPolarHBondContact O-CB 3.45Å; E4380-S4384 PolarHBondContact O-N 2.96Å; E4380-S4384 PolarHBondContact O-OG 3.16Å; N4381-S4384 VanDerWaalsContact CA-OG 3.32Å; N4381-S4384 WeakPolarHBondContact CA-OG 3.43Å; N4381-S4384 PolarHBondContact O-OG 2.93Å; N4381-S4384 VanDerWaalsContact O-OG 3.12Å; S4384-S4386 PolarHBondContact O-N 3.05Å; S4384-I4387 PolarHBondContact O-N 2.85Å; S4384-H4388 WeakPolarHBondContact O-CB 2.88Å; S4384-H4388 PolarHBondContact O-N 2.86Å |
| 4385 | N | 33.8 | Very low | 32 | Very low | 102.5 Ų | 102.5 | 108.5 Ų | 108.5 | 55% | 0.548 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.6 | -33.1 | 176.1 | -76 | -28.5 | 0 | 0 | 0 | 113.9 | N4381 H4388 T4389 | N4381-N4385 VanDerWaalsContact O-CB 3.27Å; N4381-N4385 WeakPolarHBondContact O-CB 3.29Å; N4381-N4385 VanDerWaalsContact O-CG 3.22Å; N4381-N4385 PolarHBondContact O-N 3.18Å; N4381-N4385 PolarHBondContact O-ND2 3.07Å; N4385-H4388 PolarHBondContact O-N 3.03Å; N4385-T4389 WeakPolarHBondContact O-CB 3.44Å; N4385-T4389 PolarHBondContact O-N 2.95Å; N4385-T4389 PolarHBondContact O-OG1 2.94Å |
| 4386 | S | 32.6 | Very low | 31.9 | Very low | 56.5 Ų | 56.5 | 114.2 Ų | 114.2 | 40% | 0.395 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -77.3 | -28.6 | 175.5 | 62.4 | 0 | 0 | 0 | 0 | 113.1 | E4382 L4383 S4384 H4388 T4389 Q4390 | E4382-S4386 VanDerWaalsContact O-CB 3.25Å; E4382-S4386 WeakPolarHBondContact O-CB 3.34Å; E4382-S4386 PolarHBondContact O-N 3.09Å; E4382-S4386 PolarHBondContact O-OG 3.03Å; E4382-S4386 VanDerWaalsContact O-OG 3.1Å; L4383-S4386 WeakPolarHBondContact CA-OG 3.37Å; L4383-S4386 PolarHBondContact O-N 3.35Å; L4383-S4386 PolarHBondContact O-OG 3.37Å; S4384-S4386 PolarHBondContact O-N 3.05Å; S4386-H4388 VanDerWaalsContact C-N 3.32Å; S4386-T4389 WeakPolarHBondContact CA-OG1 3.09Å; S4386-T4389 PolarHBondContact O-OG1 3.05Å; S4386-Q4390 PolarHBondContact O-N 2.82Å; S4386-Q4390 VanDerWaalsContact O-N 3.15Å |
| 4387 | I | 36.1 | Very low | 31.7 | Very low | 109.5 Ų | 109.5 | 115.4 Ų | 115.4 | 56% | 0.562 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73 | -33.7 | 169.7 | -66.7 | 167.5 | 0 | 0 | 0 | 110.7 | L4383 S4384 | L4383-I4387 VanDerWaalsContact O-CB 3.27Å; L4383-I4387 WeakPolarHBondContact O-CB 3.36Å; L4383-I4387 WeakPolarHBondContact O-CD1 3.31Å; L4383-I4387 VanDerWaalsContact O-CG1 3.23Å; L4383-I4387 WeakPolarHBondContact O-CG1 3.31Å; L4383-I4387 PolarHBondContact O-N 3.14Å; L4383-I4387 VanDerWaalsContact O-N 3.15Å; S4384-I4387 PolarHBondContact O-N 2.85Å |
| 4388 | H | 32.6 | Very low | 31.5 | Very low | 128 Ų | 128 | 115.8 Ų | 115.8 | 59% | 0.593 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -76.2 | -27 | 176 | -96.2 | -21.2 | 0 | 0 | 0 | 114.9 | S4384 N4385 S4386 Q4390 L4391 I4392 | S4384-H4388 WeakPolarHBondContact O-CB 2.88Å; S4384-H4388 PolarHBondContact O-N 2.86Å; N4385-H4388 PolarHBondContact O-N 3.03Å; S4386-H4388 VanDerWaalsContact C-N 3.32Å; H4388-Q4390 VanDerWaalsContact C-N 3.32Å; H4388-Q4390 PolarHBondContact O-N 2.89Å; H4388-L4391 PolarHBondContact O-N 3.37Å; H4388-I4392 PolarHBondContact O-N 3.43Å |
| 4389 | T | 32.1 | Very low | 31.1 | Very low | 104.5 Ų | 104.5 | 118.8 Ų | 118.8 | 64% | 0.641 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -82.4 | -6 | 178.9 | 38.9 | 0 | 0 | 0 | 0 | 114.3 | N4385 S4386 L4391 | N4385-T4389 WeakPolarHBondContact O-CB 3.44Å; N4385-T4389 PolarHBondContact O-N 2.95Å; N4385-T4389 PolarHBondContact O-OG1 2.94Å; S4386-T4389 WeakPolarHBondContact CA-OG1 3.09Å; S4386-T4389 PolarHBondContact O-OG1 3.05Å; T4389-L4391 VanDerWaalsContact C-N 3.3Å |
| 4390 | Q | 31.5 | Very low | 30.8 | Very low | 178 Ų | 178 | 122.1 Ų | 122.1 | 83% | 0.832 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -0.4 | 171 | -70 | -169.8 | -2.3 | 0 | 0 | 114.2 | S4386 H4388 | S4386-Q4390 PolarHBondContact O-N 2.82Å; S4386-Q4390 VanDerWaalsContact O-N 3.15Å; H4388-Q4390 VanDerWaalsContact C-N 3.32Å; H4388-Q4390 PolarHBondContact O-N 2.89Å |
| 4391 | L | 32.3 | Very low | 30.7 | Very low | 138 Ų | 138 | 120.3 Ų | 120.3 | 72% | 0.723 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | -1 | -178.6 | -105.2 | 155.4 | 0 | 0 | 0 | 114.8 | H4388 T4389 | H4388-L4391 PolarHBondContact O-N 3.37Å; T4389-L4391 VanDerWaalsContact C-N 3.3Å |
| 4392 | I | 29.2 | Very low | 30.3 | Very low | 125.5 Ų | 125.5 | 122.1 Ų | 122.1 | 64% | 0.644 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -132.2 | 85.4 | 176.8 | -50.4 | 176.6 | 0 | 0 | 0 | 108.5 | H4388 | H4388-I4392 PolarHBondContact O-N 3.43Š|
| 4393 | N | 27.7 | Very low | 30.2 | Very low | 149.5 Ų | 149.5 | 124.4 Ų | 124.4 | 80% | 0.799 | 66% | 0.664 | S | S | * | * | trans | 177.6 | 63.4 | 144.4 | -85 | -17.4 | 0 | 0 | 0 | 110 | ||||
| 4394 | S | 25.6 | Very low | 29.8 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 80% | 0.797 | 68% | 0.676 | S | S | * | * | trans | -110.7 | 113.5 | 143.5 | 58.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 4395 | S | 26.8 | Very low | 29.3 | Very low | 97 Ų | 97 | 128.5 Ų | 128.5 | 68% | 0.678 | 69% | 0.688 | S | S | * | * | trans | 160.7 | 99.1 | 172.7 | 65.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 4396 | E | 27.1 | Very low | 28.9 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 84% | 0.836 | 70% | 0.702 | S | S | * | * | 145.6 | 138.2 | 107.3 | -90.4 | 169.3 | -173.6 | 0 | 0 | 108.7 | |||||
| 4397 | D | 27.5 | Very low | 28.5 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | 136.2 | 136.3 | 99.3 | -104.6 | -8.7 | 0 | 0 | 0 | 118.2 | |||||
| 4398 | K | 28.3 | Very low | 28 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 74% | 0.735 | 73% | 0.727 | S | S | * | * | trans | 10.8 | 120.1 | 158.2 | -67.1 | 159.8 | 179.8 | 155.7 | 0 | 115.2 | ||||
| 4399 | T | 26.4 | Very low | 27.6 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | 137.7 | 107.8 | 102.2 | 43.4 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 4400 | D | 27 | Very low | 27.3 | Very low | 138.5 Ų | 138.5 | 140.1 Ų | 140.1 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | 64.3 | 118.2 | 126.5 | -66.4 | -24.2 | 0 | 0 | 0 | 116.7 | |||||
| 4401 | T | 30.4 | Very low | 27.2 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | cis | -159.4 | 155.5 | -11.8 | 18.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 4402 | E | 27.5 | Very low | 27 | Very low | 141 Ų | 141 | 140.7 Ų | 140.7 | 66% | 0.659 | 75% | 0.746 | S | S | * | * | trans | 42.5 | 119.1 | 142.7 | -54.7 | -147.7 | 143.9 | 0 | 0 | 125.9 | ||||
| 4403 | K | 29.8 | Very low | 26.8 | Very low | 156 Ų | 156 | 146.2 Ų | 146.2 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | 70.1 | 141.1 | 118.7 | -65 | 176.4 | -167.8 | 150.2 | 0 | 124.8 | |||||
| 4404 | L | 24.9 | Very low | 26.8 | Very low | 146 Ų | 146 | 149.2 Ų | 149.2 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | 86.1 | 94.7 | 138 | -78.9 | 161.9 | 0 | 0 | 0 | 123.1 | ||||
| 4405 | S | 25.2 | Very low | 26.8 | Very low | 90 Ų | 90 | 149.5 Ų | 149.5 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | 67 | 129.3 | 118.2 | 70.8 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 4406 | K | 26.5 | Very low | 26.8 | Very low | 192 Ų | 192 | 153.7 Ų | 153.7 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | 74.1 | 120.5 | 136.7 | -77.3 | -178.1 | 179.3 | 178.3 | 0 | 122 | ||||
| 4407 | Q | 24.9 | Very low | 26.7 | Very low | 165 Ų | 165 | 153.7 Ų | 153.7 | 77% | 0.771 | 77% | 0.773 | S | S | * | * | trans | 93.9 | 109.8 | 137.1 | -77.7 | -172.1 | -27 | 0 | 0 | 122.2 | ||||
| 4408 | I | 25 | Very low | 26.5 | Very low | 139 Ų | 139 | 158.8 Ų | 158.8 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | 91.1 | 115.8 | 128.4 | -64.1 | 167 | 0 | 0 | 0 | 120 | |||||
| 4409 | S | 23.2 | Very low | 26.3 | Very low | 98 Ų | 98 | 158.8 Ų | 158.8 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | trans | 104.8 | 132 | 145 | 76.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 4410 | N | 26.6 | Very low | 26.6 | Very low | 151 Ų | 151 | 157.6 Ų | 157.6 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | 73.7 | 68.4 | 148.1 | -58.7 | -11.4 | 0 | 0 | 0 | 121.1 | ||||
| 4411 | K | 29.1 | Very low | 26.3 | Very low | 206 Ų | 206 | 159.5 Ų | 159.5 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | -169.9 | 144.4 | 108 | -101.3 | 167 | -176.1 | 177.8 | 0 | 111.8 | |||||
| 4412 | P | 28.1 | Very low | 26.1 | Very low | 122 Ų | 122 | 162 Ų | 162 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | -87.2 | 127.2 | -168.6 | 33 | -33.8 | 0 | 0 | 0 | 113.1 | ||||
| 4413 | R | 25.9 | Very low | 26 | Very low | 241 Ų | 241 | 162.6 Ų | 162.6 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -102.7 | 113.3 | 151.1 | -74.4 | -177.6 | 173.4 | 175.7 | -2.1 | 107 | T4415 | R4413-T4415 PolarHBondContact O-N 3.31Š| ||
| 4414 | K | 27.4 | Very low | 25.6 | Very low | 213 Ų | 213 | 163.5 Ų | 163.5 | 93% | 0.926 | 81% | 0.809 | S | S | * | * | trans | -61.6 | 118.8 | -178.4 | -83.6 | -173.4 | 174.3 | -177.8 | 0 | 110 | ||||
| 4415 | T | 25.7 | Very low | 25.5 | Very low | 119 Ų | 119 | 161.9 Ų | 161.9 | 73% | 0.73 | 81% | 0.809 | S | S | * | * | trans | -73.5 | 128 | 171.2 | 46.2 | 0 | 0 | 0 | 0 | 110.8 | R4413 | R4413-T4415 PolarHBondContact O-N 3.31Š| ||
| 4416 | L | 25.7 | Very low | 25.4 | Very low | 186 Ų | 186 | 165 Ų | 165 | 97% | 0.974 | 82% | 0.818 | S | S | * | * | trans | -82.9 | 110.2 | 155.8 | -94.2 | 160.1 | 0 | 0 | 0 | 108.8 | ||||
| 4417 | K | 25.9 | Very low | 25.3 | Very low | 179 Ų | 179 | 162.9 Ų | 162.9 | 78% | 0.778 | 82% | 0.821 | S | S | * | * | trans | -127.6 | 123.3 | 164.9 | -90.8 | -173.4 | 174.7 | -179.2 | 0 | 108.3 | ||||
| 4418 | R | 23.5 | Very low | 25.2 | Very low | 241 Ų | 241 | 162 Ų | 162 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | 47.2 | 130.3 | 146.8 | -60.6 | -177.8 | 176.9 | 173.8 | -3.1 | 120.1 | ||||
| 4419 | L | 24.7 | Very low | 25.2 | Very low | 169 Ų | 169 | 164.4 Ų | 164.4 | 89% | 0.885 | 83% | 0.826 | S | S | * | * | trans | -27.1 | 162.6 | 150.5 | -70.4 | 140.7 | 0 | 0 | 0 | 116.2 | ||||
| 4420 | P | 31.9 | Very low | 25.4 | Very low | 98 Ų | 98 | 167.6 Ų | 167.6 | 64% | 0.636 | 83% | 0.833 | S | S | * | * | cis | -139.1 | -164.4 | 23 | 42 | -22.1 | 0 | 0 | 0 | 116.2 | ||||
| 4421 | E | 21.5 | Very low | 25.2 | Very low | 178 Ų | 178 | 171.4 Ų | 171.4 | 83% | 0.832 | 84% | 0.837 | S | S | * | * | trans | 63.5 | 110.5 | 159.6 | -72 | 162.9 | -160.6 | 0 | 0 | 119.8 | ||||
| 4422 | I | 26 | Very low | 24.9 | Very low | 171 Ų | 171 | 170.3 Ų | 170.3 | 88% | 0.877 | 83% | 0.834 | S | S | * | * | trans | -143 | 135.5 | 146.8 | -60.6 | -173.7 | 0 | 0 | 0 | 108.7 | ||||
| 4423 | D | 24.1 | Very low | 24.9 | Very low | 154 Ų | 154 | 169.9 Ų | 169.9 | 82% | 0.824 | 83% | 0.834 | S | S | * | * | trans | -74.3 | -177.2 | -179.6 | -62.5 | -65.4 | 0 | 0 | 0 | 115.7 | ||||
| 4424 | E | 21.9 | Very low | 24.7 | Very low | 176 Ų | 176 | 169 Ų | 169 | 82% | 0.822 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -36.1 | 146.3 | 172.1 | -57.8 | 175.7 | 146.4 | 0 | 0 | 117.7 | ||
| 4425 | C | 21.9 | Very low | 24.4 | Very low | 112 Ų | 112 | 165.5 Ų | 165.5 | 76% | 0.757 | 82% | 0.824 | S | S | * | * | trans | 56.6 | 117.8 | 149.3 | -64.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 4426 | N | 23 | Very low | 24.2 | Very low | 155 Ų | 155 | 170.8 Ų | 170.8 | 83% | 0.829 | 83% | 0.831 | S | S | * | * | -179.2 | 99.4 | 124.4 | -95.2 | -52.4 | 0 | 0 | 0 | 112.6 | |||||
| 4427 | V | 25.7 | Very low | 24.1 | Very low | 148 Ų | 148 | 167.2 Ų | 167.2 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | -134.2 | 75.7 | 155.3 | -172.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4428 | I | 23.3 | Very low | 24.3 | Very low | 147 Ų | 147 | 164.1 Ų | 164.1 | 75% | 0.754 | 82% | 0.819 | S | S | * | * | trans | -126.7 | 136.1 | 160.4 | -62.9 | 178 | 0 | 0 | 0 | 106.6 | ||||
| 4429 | K | 24.5 | Very low | 24.2 | Very low | 188 Ų | 188 | 157.9 Ų | 157.9 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | trans | 78.7 | 122.9 | -163 | -50.5 | 158.5 | -173 | 173.4 | 0 | 109.9 | ||||
| 4430 | I | 27.6 | Very low | 24.1 | Very low | 166 Ų | 166 | 158.7 Ų | 158.7 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | cis | -123.3 | 135.9 | 38.2 | -68 | 156.6 | 0 | 0 | 0 | 112.6 | ||||
| 4431 | R | 21.3 | Very low | 23.7 | Very low | 231 Ų | 231 | 163.8 Ų | 163.8 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | trans | -111.7 | 156.6 | 165.8 | -131.7 | -177.7 | -171.8 | -173.9 | 3.5 | 107 | ||||
| 4432 | Q | 24.3 | Very low | 23.9 | Very low | 182 Ų | 182 | 161.7 Ų | 161.7 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | 78 | 138.9 | -179.4 | -49.7 | 164.6 | -3.8 | 0 | 0 | 112.9 | ||||
| 4433 | S | 27.1 | Very low | 23.8 | Very low | 113 Ų | 113 | 160.2 Ų | 160.2 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | cis | -149.4 | 153.7 | 16.8 | 50.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 4434 | Y | 21.5 | Very low | 23.8 | Very low | 223 Ų | 223 | 160 Ų | 160 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | trans | -72.4 | 141.8 | 163.8 | -79.7 | -103.8 | 0 | 0 | 0 | 111.2 | ||||
| 4435 | D | 21.9 | Very low | 23.9 | Very low | 140 Ų | 140 | 159.7 Ų | 159.7 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | 164.1 | 146.1 | 115.1 | -103.8 | -14 | 0 | 0 | 0 | 114.8 | |||||
| 4436 | R | 22 | Very low | 23.9 | Very low | 229 Ų | 229 | 164.1 Ų | 164.1 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | 63.1 | 123.6 | 155.9 | -67.4 | 179 | -177.6 | -169.2 | -0.7 | 122 | ||||
| 4437 | S | 23.4 | Very low | 24 | Very low | 111 Ų | 111 | 164.5 Ų | 164.5 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -73 | 177.3 | 149.6 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 4438 | P | 28.3 | Very low | 24 | Very low | 114 Ų | 114 | 164.7 Ų | 164.7 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | cis | -138.7 | -167.6 | 6.5 | 42.8 | -23.4 | 0 | 0 | 0 | 116.2 | ||||
| 4439 | S | 23.1 | Very low | 24 | Very low | 110 Ų | 110 | 164.3 Ų | 164.3 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | 106.3 | 106 | 147 | 77.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 4440 | H | 20.8 | Very low | 24.1 | Very low | 187 Ų | 187 | 160.5 Ų | 160.5 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | 66.2 | 146.7 | 125.1 | -97.8 | -6.8 | 0 | 0 | 0 | 126.8 | |||||
| 4441 | R | 24.2 | Very low | 24 | Very low | 205 Ų | 205 | 160.9 Ų | 160.9 | 77% | 0.774 | 79% | 0.793 | S | S | * | * | trans | 77.3 | 139.2 | 165.8 | -70.2 | -170.7 | 146.7 | 163.2 | -8.2 | 118.3 | ||||
| 4442 | E | 25.6 | Very low | 24.1 | Very low | 133 Ų | 133 | 157.9 Ų | 157.9 | 62% | 0.621 | 79% | 0.793 | S | S | * | * | cis | -158 | 147.2 | -11.9 | -126.7 | 155.7 | -161.3 | 0 | 0 | 109.2 | ||||
| 4443 | N | 23.2 | Very low | 24.1 | Very low | 141 Ų | 141 | 154.8 Ų | 154.8 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | 22.7 | 118.4 | 161.9 | -54.1 | -17.5 | 0 | 0 | 0 | 121.1 | ||||
| 4444 | D | 24.1 | Very low | 24 | Very low | 148 Ų | 148 | 155.2 Ų | 155.2 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | -171.7 | 146 | 109.6 | -94.6 | -19.2 | 0 | 0 | 0 | 112.7 | |||||
| 4445 | H | 24.5 | Very low | 24.1 | Very low | 170 Ų | 170 | 153 Ų | 153 | 79% | 0.787 | 80% | 0.796 | S | S | * | * | trans | 38.6 | 93.3 | 168.3 | -63.2 | -65.2 | 0 | 0 | 0 | 119.7 | Q4447 | H4445-Q4447 VanDerWaalsContact C-N 3.34Å; H4445-Q4447 PolarHBondContact O-N 3.03Å | ||
| 4446 | F | 22.4 | Very low | 24.3 | Very low | 205 Ų | 205 | 150.6 Ų | 150.6 | 90% | 0.899 | 79% | 0.791 | S | S | * | * | trans | -66.8 | 86.3 | 159.5 | -92.2 | -85.7 | 0 | 0 | 0 | 111.9 | ||||
| 4447 | Q | 25.3 | Very low | 24.6 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -90 | 106.4 | 153.8 | -73.2 | -173.6 | -6.7 | 0 | 0 | 108.6 | H4445 N4449 | H4445-Q4447 VanDerWaalsContact C-N 3.34Å; H4445-Q4447 PolarHBondContact O-N 3.03Å; Q4447-N4449 VanDerWaalsContact C-N 3.32Å; Q4447-N4449 PolarHBondContact O-N 3.1Å | ||
| 4448 | L | 24.6 | Very low | 25.1 | Very low | 153 Ų | 153 | 145.7 Ų | 145.7 | 80% | 0.801 | 78% | 0.778 | S | S | * | * | trans | -72.5 | 85.1 | 174.5 | -86.1 | 163.7 | 0 | 0 | 0 | 110.7 | ||||
| 4449 | N | 23.5 | Very low | 25.6 | Very low | 138 Ų | 138 | 143.9 Ų | 143.9 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | trans | -129.4 | 80 | 167.6 | -85.7 | -26.5 | 0 | 0 | 0 | 109.6 | Q4447 | Q4447-N4449 VanDerWaalsContact C-N 3.32Å; Q4447-N4449 PolarHBondContact O-N 3.1Å | ||
| 4450 | S | 26.7 | Very low | 26.4 | Very low | 109 Ų | 109 | 145 Ų | 145 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -134.3 | 111.6 | 162.9 | 59.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 4451 | H | 25.8 | Very low | 27.4 | Very low | 174 Ų | 174 | 141.5 Ų | 141.5 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | trans | -79.2 | 162.8 | 176.6 | -78.4 | -88.3 | 0 | 0 | 0 | 112 | ||||
| 4452 | L | 24.3 | Very low | 28.4 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 87% | 0.874 | 73% | 0.732 | S | S | * | * | trans | 92.1 | 142.1 | 165.4 | -58 | 145.9 | 0 | 0 | 0 | 116.3 | ||||
| 4453 | S | 23.1 | Very low | 29.4 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | trans | 51.2 | 84.7 | -179.7 | 59.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 4454 | C | 25.1 | Very low | 30.5 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 82% | 0.824 | 71% | 0.713 | S | S | * | * | trans | -175.5 | 114.6 | 140 | -106.2 | 0 | 0 | 0 | 0 | 108.9 | S4456 | C4454-S4456 PolarHBondContact O-N 3.32Š| ||
| 4455 | D | 23.5 | Very low | 31.9 | Very low | 176 Ų | 176 | 127.6 Ų | 127.6 | 94% | 0.941 | 69% | 0.694 | S | S | * | * | trans | -71.2 | 81.2 | 166.9 | -67.3 | -63.3 | 0 | 0 | 0 | 109.2 | ||||
| 4456 | S | 26.3 | Very low | 33.4 | Very low | 90 Ų | 90 | 124.6 Ų | 124.6 | 63% | 0.629 | 68% | 0.68 | S | S | * | * | trans | -79.8 | 128.8 | 177.3 | 169.4 | 0 | 0 | 0 | 0 | 109.2 | C4454 | C4454-S4456 PolarHBondContact O-N 3.32Š| ||
| 4457 | P | 28.6 | Very low | 34.7 | Very low | 113 Ų | 113 | 117 Ų | 117 | 73% | 0.734 | 65% | 0.648 | S | S | * | * | trans | -56.5 | 151.5 | 168.8 | 27.3 | -34.8 | 0 | 0 | 0 | 109.5 | S4459 | P4457-S4459 PolarHBondContact O-N 2.97Š| ||
| 4458 | L | 33.9 | Very low | 36.4 | Very low | 123 Ų | 123 | 114.5 Ų | 114.5 | 64% | 0.644 | 63% | 0.634 | S | S | * | * | trans | -44.7 | 120.9 | -176.1 | -79.4 | 93.8 | 0 | 0 | 0 | 110.3 | L4460 | L4458-L4460 PolarHBondContact O-N 3.33Š| ||
| 4459 | S | 39.3 | Very low | 38.4 | Very low | 77 Ų | 77 | 114.7 Ų | 114.7 | 54% | 0.538 | 62% | 0.624 | S | S | . | * | trans | -46.2 | 121.2 | 176.5 | 173 | 0 | 0 | 0 | 0 | 109 | P4457 L4461 A4462 | P4457-S4459 PolarHBondContact O-N 2.97Å; S4459-L4461 PolarHBondContact O-N 2.94Å; S4459-A4462 VanDerWaalsContact O-CB 3.26Å; S4459-A4462 WeakPolarHBondContact O-CB 3.29Å; S4459-A4462 PolarHBondContact O-N 2.74Å | ||
| 4460 | L | 40.1 | Very low | 40.3 | Very low | 133 Ų | 133 | 116.2 Ų | 116.2 | 70% | 0.696 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -54 | -22.8 | -174.3 | -73.6 | 157 | 0 | 0 | 0 | 112.9 | L4458 A4462 Y4464 | L4458-L4460 PolarHBondContact O-N 3.33Å; L4460-A4462 VanDerWaalsContact C-N 3.35Å; L4460-Y4464 PolarHBondContact O-N 3.39Å; L4460-Y4464 VanDerWaalsContact O-N 3.12Å |
| 4461 | L | 40.5 | Very low | 41.8 | Very low | 114 Ų | 114 | 114.1 Ų | 114.1 | 60% | 0.597 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.6 | -33.8 | 172.8 | -161.9 | 72.6 | 0 | 0 | 0 | 113.1 | S4459 N4465 | S4459-L4461 PolarHBondContact O-N 2.94Å; L4461-N4465 VanDerWaalsContact O-CB 3.31Å; L4461-N4465 WeakPolarHBondContact O-CB 3.21Å; L4461-N4465 PolarHBondContact O-N 3.43Å; L4461-N4465 PolarHBondContact O-ND2 3.22Å; L4461-N4465 VanDerWaalsContact O-ND2 3.08Å |
| 4462 | A | 46.8 | Very low | 43.8 | Very low | 43 Ų | 43 | 110.1 Ų | 110.1 | 36% | 0.355 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.1 | -48 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S4459 L4460 Y4464 N4465 E4466 | S4459-A4462 VanDerWaalsContact O-CB 3.26Å; S4459-A4462 WeakPolarHBondContact O-CB 3.29Å; S4459-A4462 PolarHBondContact O-N 2.74Å; L4460-A4462 VanDerWaalsContact C-N 3.35Å; A4462-Y4464 PolarHBondContact O-N 3.1Å; A4462-N4465 CarbonylContact O-C 3.56Å; A4462-N4465 PolarHBondContact O-N 3.32Å; A4462-E4466 WeakPolarHBondContact O-CB 3.3Å; A4462-E4466 PolarHBondContact O-N 2.91Å |
| 4463 | L | 45.4 | Very low | 45.8 | Very low | 87 Ų | 87 | 105.4 Ų | 105.4 | 46% | 0.455 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62 | -42.2 | 176.1 | -69.9 | 172.5 | 0 | 0 | 0 | 111.6 | N4465 E4466 E4467 | L4463-N4465 PolarHBondContact O-N 3.09Å; L4463-E4466 PolarHBondContact O-N 2.75Å; L4463-E4466 VanDerWaalsContact O-N 3.14Å; L4463-E4467 PolarHBondContact O-N 2.77Å |
| 4464 | Y | 45.7 | Very low | 47.6 | Very low | 133 Ų | 133 | 101.9 Ų | 101.9 | 52% | 0.522 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 173.1 | 176.8 | -99.5 | 0 | 0 | 0 | 112.7 | L4460 A4462 E4466 K4468 | L4460-Y4464 PolarHBondContact O-N 3.39Å; L4460-Y4464 VanDerWaalsContact O-N 3.12Å; A4462-Y4464 PolarHBondContact O-N 3.1Å; Y4464-E4466 PolarHBondContact O-N 3.37Å; Y4464-K4468 VanDerWaalsContact O-CB 3.3Å; Y4464-K4468 WeakPolarHBondContact O-CB 3.16Å; Y4464-K4468 PolarHBondContact O-N 3.39Å |
| 4465 | N | 53.6 | Low | 49.4 | Very low | 71 Ų | 71 | 99.9 Ų | 99.9 | 38% | 0.38 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.3 | -15.4 | 176.6 | -72.4 | -26.9 | 0 | 0 | 0 | 113.6 | L4461 A4462 L4463 R4469 | L4461-N4465 VanDerWaalsContact O-CB 3.31Å; L4461-N4465 WeakPolarHBondContact O-CB 3.21Å; L4461-N4465 PolarHBondContact O-N 3.43Å; L4461-N4465 PolarHBondContact O-ND2 3.22Å; L4461-N4465 VanDerWaalsContact O-ND2 3.08Å; A4462-N4465 CarbonylContact O-C 3.56Å; A4462-N4465 PolarHBondContact O-N 3.32Å; L4463-N4465 PolarHBondContact O-N 3.09Å; N4465-R4469 WeakPolarHBondContact O-CG 3.41Å; N4465-R4469 PolarHBondContact O-NE 3.08Å |
| 4466 | E | 57.8 | Low | 51.6 | Low | 108 Ų | 108 | 97.8 Ų | 97.8 | 51% | 0.505 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -89.2 | -46.7 | 175.1 | -168.7 | 146.6 | -125.1 | 0 | 0 | 111.3 | A4462 L4463 Y4464 K4468 R4469 R4470 | A4462-E4466 WeakPolarHBondContact O-CB 3.3Å; A4462-E4466 PolarHBondContact O-N 2.91Å; L4463-E4466 PolarHBondContact O-N 2.75Å; L4463-E4466 VanDerWaalsContact O-N 3.14Å; Y4464-E4466 PolarHBondContact O-N 3.37Å; E4466-K4468 VanDerWaalsContact C-N 3.32Å; E4466-K4468 PolarHBondContact O-N 2.77Å; E4466-R4469 PolarHBondContact O-N 2.92Å; E4466-R4469 VanDerWaalsContact O-N 3.14Å; E4466-R4470 WeakPolarHBondContact O-CB 3.2Å; E4466-R4470 PolarHBondContact O-N 3.26Å |
| 4467 | E | 49.7 | Very low | 53.6 | Low | 45 Ų | 45 | 97.9 Ų | 97.9 | 21% | 0.21 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -53 | -47.7 | 166.8 | -98.2 | -84.2 | 116 | 0 | 0 | 111.2 | L4463 R4469 R4470 L4471 L4725 | L4463-E4467 PolarHBondContact O-N 2.77Å; E4467-R4469 VanDerWaalsContact C-N 3.31Å; E4467-R4469 PolarHBondContact O-N 3.35Å; E4467-R4470 WeakPolarHBondContact O-CB 3.27Å; E4467-R4470 PolarHBondContact O-N 3.1Å; E4467-R4470 VanDerWaalsContact O-N 3.13Å; E4467-L4471 WeakPolarHBondContact O-CG 3.37Å; E4467-L4471 PolarHBondContact O-N 3.27Å; E4467-L4725 HydrophobicContact CG-CD2 3.94Å |
| 4468 | K | 59.3 | Low | 55.3 | Low | 111 Ų | 111 | 92.7 Ų | 92.7 | 48% | 0.483 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.2 | -38.4 | 178 | -173.9 | 174.8 | -179.3 | 177.8 | 0 | 112.7 | Y4464 E4466 L4472 | Y4464-K4468 VanDerWaalsContact O-CB 3.3Å; Y4464-K4468 WeakPolarHBondContact O-CB 3.16Å; Y4464-K4468 PolarHBondContact O-N 3.39Å; E4466-K4468 VanDerWaalsContact C-N 3.32Å; E4466-K4468 PolarHBondContact O-N 2.77Å; K4468-L4472 HydrophobicContact CG-CD1 4.37Å; K4468-L4472 WeakPolarHBondContact O-CD1 3.23Å; K4468-L4472 WeakPolarHBondContact O-CG 3.39Å; K4468-L4472 PolarHBondContact O-N 2.73Å; K4468-L4472 VanDerWaalsContact O-N 3.17Å |
| 4469 | R | 66.5 | Low | 56.8 | Low | 157 Ų | 157 | 88.5 Ų | 88.5 | 59% | 0.592 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -71.2 | -38.5 | 174.9 | -82.5 | -178.6 | -71.5 | 151.1 | 4.4 | 111.9 | N4465 E4466 E4467 L4472 S4473 | N4465-R4469 WeakPolarHBondContact O-CG 3.41Å; N4465-R4469 PolarHBondContact O-NE 3.08Å; E4466-R4469 PolarHBondContact O-N 2.92Å; E4466-R4469 VanDerWaalsContact O-N 3.14Å; E4467-R4469 VanDerWaalsContact C-N 3.31Å; E4467-R4469 PolarHBondContact O-N 3.35Å; R4469-L4472 PolarHBondContact O-N 2.95Å; R4469-S4473 WeakPolarHBondContact O-CB 3.4Å; R4469-S4473 PolarHBondContact O-N 3.49Å; R4469-S4473 PolarHBondContact O-OG 3.15Å |
| 4470 | R | 64.9 | Low | 58.4 | Low | 170 Ų | 170 | 88.2 Ų | 88.2 | 64% | 0.642 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.9 | -46.4 | 176.5 | -169.9 | 177.7 | -175.2 | 146.3 | 4.1 | 111.4 | E4466 E4467 S4473 W4474 | E4466-R4470 WeakPolarHBondContact O-CB 3.2Å; E4466-R4470 PolarHBondContact O-N 3.26Å; E4467-R4470 WeakPolarHBondContact O-CB 3.27Å; E4467-R4470 PolarHBondContact O-N 3.1Å; E4467-R4470 VanDerWaalsContact O-N 3.13Å; R4470-S4473 PolarHBondContact O-N 3.22Å; R4470-S4473 PolarHBondContact O-OG 3.43Å; R4470-W4474 PolarHBondContact O-N 2.86Å |
| 4471 | L | 58.5 | Low | 59.8 | Low | 65 Ų | 65 | 84.5 Ų | 84.5 | 34% | 0.34 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.1 | -48 | 176 | -70.7 | 169.9 | 0 | 0 | 0 | 111.7 | E4467 S4473 W4474 E4475 | E4467-L4471 WeakPolarHBondContact O-CG 3.37Å; E4467-L4471 PolarHBondContact O-N 3.27Å; L4471-S4473 PolarHBondContact O-N 3.07Å; L4471-W4474 PolarHBondContact O-N 2.76Å; L4471-W4474 VanDerWaalsContact O-N 3.1Å; L4471-E4475 PolarHBondContact O-N 2.75Å |
| 4472 | L | 66.3 | Low | 61 | Low | 89 Ų | 89 | 79.4 Ų | 79.4 | 47% | 0.466 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.3 | -45.3 | 175 | -77.3 | 165.5 | 0 | 0 | 0 | 112.5 | K4468 R4469 W4474 E4475 E4476 | K4468-L4472 HydrophobicContact CG-CD1 4.37Å; K4468-L4472 WeakPolarHBondContact O-CD1 3.23Å; K4468-L4472 WeakPolarHBondContact O-CG 3.39Å; K4468-L4472 PolarHBondContact O-N 2.73Å; K4468-L4472 VanDerWaalsContact O-N 3.17Å; R4469-L4472 PolarHBondContact O-N 2.95Å; L4472-W4474 PolarHBondContact O-N 3.04Å; L4472-E4475 PolarHBondContact O-N 3.04Å; L4472-E4476 PolarHBondContact O-N 3.07Å |
| 4473 | S | 67.7 | Low | 62.1 | Low | 68 Ų | 68 | 84 Ų | 84 | 48% | 0.476 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.5 | -28.3 | 177.9 | 68.9 | 0 | 0 | 0 | 0 | 113.3 | R4469 R4470 L4471 M4477 | R4469-S4473 WeakPolarHBondContact O-CB 3.4Å; R4469-S4473 PolarHBondContact O-N 3.49Å; R4469-S4473 PolarHBondContact O-OG 3.15Å; R4470-S4473 PolarHBondContact O-N 3.22Å; R4470-S4473 PolarHBondContact O-OG 3.43Å; L4471-S4473 PolarHBondContact O-N 3.07Å; S4473-M4477 PolarHBondContact O-N 2.9Å |
| 4474 | W | 60.6 | Low | 63.5 | Low | 45 Ų | 45 | 86.3 Ų | 86.3 | 17% | 0.17 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -78.7 | -40.9 | 175.4 | 174.7 | 71.9 | 0 | 0 | 0 | 112.1 | R4470 L4471 L4472 E4476 M4477 T4478 Y4732 S4735 N4736 | R4470-W4474 PolarHBondContact O-N 2.86Å; L4471-W4474 PolarHBondContact O-N 2.76Å; L4471-W4474 VanDerWaalsContact O-N 3.1Å; L4472-W4474 PolarHBondContact O-N 3.04Å; W4474-E4476 VanDerWaalsContact C-N 3.27Å; W4474-E4476 PolarHBondContact O-N 3.12Å; W4474-M4477 CarbonylContact O-C 3.46Å; W4474-M4477 WeakPolarHBondContact O-CA 3.42Å; W4474-M4477 PolarHBondContact O-N 3.27Å; W4474-T4478 HydrophobicContact CD2-CG2 4.01Å; W4474-T4478 HydrophobicContact CG-CG2 4.43Å; W4474-T4478 HydrophobicContact CH2-CG2 4.23Å; W4474-T4478 HydrophobicContact CZ2-CG2 3.52Å; W4474-T4478 PolarHBondContact O-N 3.49Å; W4474-T4478 PolarHBondContact O-OG1 3.14Å; W4474-Y4732 HydrophobicContact CB-CE2 4.36Å; W4474-Y4732 AromaticContact CD1-CD2 3.73Å; W4474-Y4732 AromaticContact CD1-CE2 3.17Å; W4474-Y4732 AromaticContact CD2-CD2 3.91Å; W4474-Y4732 HydrophobicContact CD2-CD2 3.91Å; W4474-Y4732 HydrophobicContact CD2-CE2 4.14Å; W4474-Y4732 AromaticContact CE2-CD2 3.7Å; W4474-Y4732 AromaticContact CE2-CE2 3.97Å; W4474-Y4732 AromaticContact CG-CD2 3.87Å; W4474-Y4732 HydrophobicContact CG-CD2 3.87Å; W4474-Y4732 AromaticContact CG-CE2 3.62Å; W4474-Y4732 HydrophobicContact CG-CE2 3.62Å; W4474-Y4732 HydrophobicContact CZ2-CD2 4.36Å; W4474-Y4732 AromaticContact NE1-CD2 3.55Å; W4474-Y4732 AromaticContact NE1-CE2 3.34Å; W4474-Y4732 VanDerWaalsContact NE1-CE2 3.34Å; W4474-S4735 VanDerWaalsContact CH2-OG 3.26Å; W4474-S4735 WeakPolarHBondContact CH2-OG 3.37Å; W4474-S4735 WeakPolarHBondContact CZ2-OG 3.47Å; W4474-N4736 PolarHBondContact NE1-OD1 3.47Å |
| 4475 | E | 61.6 | Low | 64.5 | Low | 80 Ų | 80 | 80.2 Ų | 80.2 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -56.5 | -41.4 | 171.4 | -72.6 | -179.8 | 175.3 | 0 | 0 | 111.1 | L4471 L4472 M4477 T4478 E4479 | L4471-E4475 PolarHBondContact O-N 2.75Å; L4472-E4475 PolarHBondContact O-N 3.04Å; E4475-M4477 PolarHBondContact O-N 2.84Å; E4475-T4478 WeakPolarHBondContact CA-OG1 3.25Å; E4475-T4478 PolarHBondContact O-OG1 3.02Å; E4475-T4478 VanDerWaalsContact O-OG1 3.08Å; E4475-E4479 WeakPolarHBondContact O-CB 3.29Å; E4475-E4479 PolarHBondContact O-N 3.36Å |
| 4476 | E | 70.8 | Confident | 65.2 | Low | 132 Ų | 132 | 77.4 Ų | 77.4 | 62% | 0.617 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.2 | -36.4 | 172.9 | -71.4 | -177.8 | 169.2 | 0 | 0 | 112.7 | L4472 W4474 T4480 | L4472-E4476 PolarHBondContact O-N 3.07Å; W4474-E4476 VanDerWaalsContact C-N 3.27Å; W4474-E4476 PolarHBondContact O-N 3.12Å; E4476-T4480 WeakPolarHBondContact O-CB 3.39Å; E4476-T4480 VanDerWaalsContact O-CG2 3.29Å; E4476-T4480 WeakPolarHBondContact O-CG2 2.83Å; E4476-T4480 PolarHBondContact O-N 3.4Å; E4476-T4480 PolarHBondContact O-OG1 2.82Å |
| 4477 | M | 68.8 | Low | 65.9 | Low | 91 Ų | 91 | 77.7 Ų | 77.7 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -73.8 | -37.3 | 179.1 | -159.5 | -177.7 | 81.6 | 0 | 0 | 112.8 | S4473 W4474 E4475 T4480 R4481 | S4473-M4477 PolarHBondContact O-N 2.9Å; W4474-M4477 CarbonylContact O-C 3.46Å; W4474-M4477 WeakPolarHBondContact O-CA 3.42Å; W4474-M4477 PolarHBondContact O-N 3.27Å; E4475-M4477 PolarHBondContact O-N 2.84Å; M4477-T4480 WeakPolarHBondContact CA-OG1 3.09Å; M4477-T4480 PolarHBondContact O-OG1 3.16Å; M4477-T4480 VanDerWaalsContact O-OG1 3.09Å; M4477-R4481 WeakPolarHBondContact O-CG 3.21Å; M4477-R4481 PolarHBondContact O-N 3.1Å |
| 4478 | T | 64.3 | Low | 66.9 | Low | 4 Ų | 4 | 79.1 Ų | 79.1 | 3% | 0.025 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -71.2 | -42.9 | 173 | 52.6 | 0 | 0 | 0 | 0 | 111.1 | W4474 E4475 T4480 R4481 L4482 I4739 | W4474-T4478 HydrophobicContact CD2-CG2 4.01Å; W4474-T4478 HydrophobicContact CG-CG2 4.43Å; W4474-T4478 HydrophobicContact CH2-CG2 4.23Å; W4474-T4478 HydrophobicContact CZ2-CG2 3.52Å; W4474-T4478 PolarHBondContact O-N 3.49Å; W4474-T4478 PolarHBondContact O-OG1 3.14Å; E4475-T4478 WeakPolarHBondContact CA-OG1 3.25Å; E4475-T4478 PolarHBondContact O-OG1 3.02Å; E4475-T4478 VanDerWaalsContact O-OG1 3.08Å; T4478-T4480 VanDerWaalsContact C-N 3.3Å; T4478-T4480 PolarHBondContact O-N 2.94Å; T4478-R4481 PolarHBondContact O-N 3.41Å; T4478-L4482 WeakPolarHBondContact O-CB 3.5Å; T4478-L4482 WeakPolarHBondContact O-CG 3.33Å; T4478-L4482 PolarHBondContact O-N 3.17Å; T4478-I4739 HydrophobicContact CG2-CD1 3.78Å |
| 4479 | E | 65.3 | Low | 67.4 | Low | 35 Ų | 35 | 73.9 Ų | 73.9 | 16% | 0.164 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 176 | -171.5 | 174.9 | 171.6 | 0 | 0 | 110.7 | E4475 R4483 K4535 | E4475-E4479 WeakPolarHBondContact O-CB 3.29Å; E4475-E4479 PolarHBondContact O-N 3.36Å; E4479-R4483 WeakPolarHBondContact O-CB 3.27Å; E4479-R4483 VanDerWaalsContact O-CG 3.23Å; E4479-R4483 WeakPolarHBondContact O-CG 3.37Å; E4479-R4483 PolarHBondContact O-N 2.95Å; E4479-R4483 IonicContact OE1-CZ 3Å; E4479-R4483 IonicContact OE1-NE 2.88Å; E4479-R4483 PolarHBondContact OE1-NE 3.26Å; E4479-R4483 IonicContact OE1-NH2 3.08Å; E4479-R4483 PolarHBondContact OE1-NH2 3.21Å; E4479-K4535 IonicContact OE2-NZ 3.26Å; E4479-K4535 PolarHBondContact OE2-NZ 3.48Å |
| 4480 | T | 72.8 | Confident | 67.5 | Low | 72 Ų | 72 | 69.4 Ų | 69.4 | 44% | 0.442 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -71.1 | -35.3 | 176.4 | 51.3 | 0 | 0 | 0 | 0 | 113.9 | E4476 M4477 T4478 K4484 | E4476-T4480 WeakPolarHBondContact O-CB 3.39Å; E4476-T4480 VanDerWaalsContact O-CG2 3.29Å; E4476-T4480 WeakPolarHBondContact O-CG2 2.83Å; E4476-T4480 PolarHBondContact O-N 3.4Å; E4476-T4480 PolarHBondContact O-OG1 2.82Å; M4477-T4480 WeakPolarHBondContact CA-OG1 3.09Å; M4477-T4480 PolarHBondContact O-OG1 3.16Å; M4477-T4480 VanDerWaalsContact O-OG1 3.09Å; T4478-T4480 VanDerWaalsContact C-N 3.3Å; T4478-T4480 PolarHBondContact O-N 2.94Å; T4480-K4484 WeakPolarHBondContact O-CG 3.21Å; T4480-K4484 PolarHBondContact O-N 3.39Å; T4480-K4484 VanDerWaalsContact O-N 3.1Å |
| 4481 | R | 68.4 | Low | 67.9 | Low | 54 Ų | 54 | 65.7 Ų | 65.7 | 20% | 0.204 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.7 | -48.4 | 170.5 | -77.6 | 178.2 | 77.5 | 173.7 | 8.9 | 111.5 | M4477 T4478 R4483 K4484 A4485 E4743 | M4477-R4481 WeakPolarHBondContact O-CG 3.21Å; M4477-R4481 PolarHBondContact O-N 3.1Å; T4478-R4481 PolarHBondContact O-N 3.41Å; R4481-R4483 PolarHBondContact O-N 3.4Å; R4481-K4484 PolarHBondContact O-N 2.9Å; R4481-A4485 WeakPolarHBondContact O-CB 3.47Å; R4481-A4485 PolarHBondContact O-N 3.29Å; R4481-E4743 IonicContact CZ-OE1 3.29Å; R4481-E4743 IonicContact CZ-OE2 3.48Å; R4481-E4743 IonicContact NE-OE1 3.58Å; R4481-E4743 PolarHBondContact NE-OE1 3Å; R4481-E4743 IonicContact NE-OE2 3.62Å; R4481-E4743 IonicContact NH2-OE1 2.69Å; R4481-E4743 PolarHBondContact NH2-OE1 2.84Å; R4481-E4743 IonicContact NH2-OE2 3.81Å; R4481-E4743 PolarHBondContact NH2-OE2 3.25Å |
| 4482 | L | 66.1 | Low | 68.2 | Low | 7 Ų | 7 | 63 Ų | 63 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 179.7 | -71.1 | 172 | 0 | 0 | 0 | 112.1 | T4478 A4485 C4486 L4524 I4528 I4739 | T4478-L4482 WeakPolarHBondContact O-CB 3.5Å; T4478-L4482 WeakPolarHBondContact O-CG 3.33Å; T4478-L4482 PolarHBondContact O-N 3.17Å; L4482-A4485 PolarHBondContact O-N 2.94Å; L4482-C4486 PolarHBondContact O-N 2.8Å; L4482-C4486 PolarHBondContact O-SG 2.84Å; L4482-L4524 HydrophobicContact CD2-CD2 3.62Å; L4482-I4528 HydrophobicContact CB-CD1 4.33Å; L4482-I4528 HydrophobicContact CB-CG1 4.33Å; L4482-I4739 HydrophobicContact CD2-CG1 4.31Å |
| 4483 | R | 70.6 | Confident | 68.1 | Low | 140 Ų | 140 | 60.1 Ų | 60.1 | 53% | 0.528 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 171.8 | -74.7 | 174.8 | -174.1 | -145.2 | -1.5 | 111.9 | E4479 R4481 A4485 C4486 E4487 | E4479-R4483 WeakPolarHBondContact O-CB 3.27Å; E4479-R4483 VanDerWaalsContact O-CG 3.23Å; E4479-R4483 WeakPolarHBondContact O-CG 3.37Å; E4479-R4483 PolarHBondContact O-N 2.95Å; E4479-R4483 IonicContact OE1-CZ 3Å; E4479-R4483 IonicContact OE1-NE 2.88Å; E4479-R4483 PolarHBondContact OE1-NE 3.26Å; E4479-R4483 IonicContact OE1-NH2 3.08Å; E4479-R4483 PolarHBondContact OE1-NH2 3.21Å; R4481-R4483 PolarHBondContact O-N 3.4Å; R4483-A4485 VanDerWaalsContact C-N 3.31Å; R4483-A4485 PolarHBondContact O-N 3.21Å; R4483-C4486 WeakPolarHBondContact O-CB 3.3Å; R4483-C4486 PolarHBondContact O-N 2.82Å; R4483-C4486 VanDerWaalsContact O-N 3.14Å; R4483-E4487 WeakPolarHBondContact O-CG 3.49Å; R4483-E4487 PolarHBondContact O-N 3.5Å |
| 4484 | K | 75 | Confident | 68 | Low | 136 Ų | 136 | 65.9 Ų | 65.9 | 59% | 0.591 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.8 | -36.8 | 175.6 | -75.1 | 176.4 | 179.2 | 176.7 | 0 | 112.6 | T4480 R4481 E4487 R4488 | T4480-K4484 WeakPolarHBondContact O-CG 3.21Å; T4480-K4484 PolarHBondContact O-N 3.39Å; T4480-K4484 VanDerWaalsContact O-N 3.1Å; R4481-K4484 PolarHBondContact O-N 2.9Å; K4484-E4487 PolarHBondContact O-N 3.32Å; K4484-R4488 WeakPolarHBondContact O-CG 3.5Å; K4484-R4488 PolarHBondContact O-N 2.97Å |
| 4485 | A | 66.5 | Low | 68.1 | Low | 5 Ų | 5 | 66.8 Ų | 66.8 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | R4481 L4482 R4483 R4488 V4489 L4524 L4746 | R4481-A4485 WeakPolarHBondContact O-CB 3.47Å; R4481-A4485 PolarHBondContact O-N 3.29Å; L4482-A4485 PolarHBondContact O-N 2.94Å; R4483-A4485 VanDerWaalsContact C-N 3.31Å; R4483-A4485 PolarHBondContact O-N 3.21Å; A4485-R4488 PolarHBondContact O-N 2.94Å; A4485-V4489 VanDerWaalsContact O-CG2 3.27Å; A4485-V4489 WeakPolarHBondContact O-CG2 3.2Å; A4485-V4489 PolarHBondContact O-N 3.37Å; A4485-L4524 HydrophobicContact CB-CD1 4.37Å; A4485-L4524 HydrophobicContact CB-CD2 4.47Å; A4485-L4746 HydrophobicContact CB-CD1 3.82Å |
| 4486 | C | 66.8 | Low | 68.1 | Low | 11 Ų | 11 | 63.6 Ų | 63.6 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 171.7 | -73.7 | 0 | 0 | 0 | 0 | 112.8 | L4482 R4483 R4488 V4489 E4490 | L4482-C4486 PolarHBondContact O-N 2.8Å; L4482-C4486 PolarHBondContact O-SG 2.84Å; R4483-C4486 WeakPolarHBondContact O-CB 3.3Å; R4483-C4486 PolarHBondContact O-N 2.82Å; R4483-C4486 VanDerWaalsContact O-N 3.14Å; C4486-R4488 VanDerWaalsContact C-N 3.34Å; C4486-R4488 PolarHBondContact O-N 3.47Å; C4486-V4489 WeakPolarHBondContact O-CB 3.29Å; C4486-V4489 PolarHBondContact O-N 2.88Å; C4486-E4490 WeakPolarHBondContact O-CG 3.42Å; C4486-E4490 PolarHBondContact O-N 3.22Å |
| 4487 | E | 73.4 | Confident | 67.5 | Low | 114 Ų | 114 | 61.3 Ų | 61.3 | 53% | 0.533 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 176.4 | -72.4 | 170.8 | -177.1 | 0 | 0 | 111.8 | R4483 K4484 E4490 N4491 | R4483-E4487 WeakPolarHBondContact O-CG 3.49Å; R4483-E4487 PolarHBondContact O-N 3.5Å; K4484-E4487 PolarHBondContact O-N 3.32Å; E4487-E4490 PolarHBondContact O-N 2.85Å; E4487-N4491 WeakPolarHBondContact O-CB 3.47Å; E4487-N4491 VanDerWaalsContact O-CG 3.23Å; E4487-N4491 PolarHBondContact O-N 2.99Å; E4487-N4491 PolarHBondContact O-ND2 3.44Å; E4487-N4491 VanDerWaalsContact O-ND2 3.09Å |
| 4488 | R | 71.5 | Confident | 66.7 | Low | 75 Ų | 75 | 63.4 Ų | 63.4 | 28% | 0.283 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 173.3 | -72.5 | 169 | 71.2 | -167.5 | 2.5 | 111.8 | K4484 A4485 C4486 E4490 N4491 L4492 E4750 | K4484-R4488 WeakPolarHBondContact O-CG 3.5Å; K4484-R4488 PolarHBondContact O-N 2.97Å; A4485-R4488 PolarHBondContact O-N 2.94Å; C4486-R4488 VanDerWaalsContact C-N 3.34Å; C4486-R4488 PolarHBondContact O-N 3.47Å; R4488-E4490 VanDerWaalsContact C-N 3.33Å; R4488-E4490 PolarHBondContact O-N 2.78Å; R4488-N4491 PolarHBondContact O-N 3.41Å; R4488-L4492 WeakPolarHBondContact O-CG 3.49Å; R4488-L4492 PolarHBondContact O-N 2.95Å; R4488-E4750 IonicContact CZ-OE1 3.96Å; R4488-E4750 IonicContact CZ-OE2 2.7Å; R4488-E4750 IonicContact NE-OE1 3.28Å; R4488-E4750 PolarHBondContact NE-OE1 3.39Å; R4488-E4750 IonicContact NE-OE2 3.5Å; R4488-E4750 IonicContact NH2-OE1 3.9Å; R4488-E4750 PolarHBondContact NH2-OE1 3.45Å; R4488-E4750 VanDerWaalsContact NH2-OE1 3.16Å; R4488-E4750 IonicContact NH2-OE2 2.65Å; R4488-E4750 PolarHBondContact NH2-OE2 3.41Å |
| 4489 | V | 68.8 | Low | 65.7 | Low | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.9 | -43.8 | 173.1 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | A4485 C4486 L4492 L4493 V4517 K4521 L4524 L4746 | A4485-V4489 VanDerWaalsContact O-CG2 3.27Å; A4485-V4489 WeakPolarHBondContact O-CG2 3.2Å; A4485-V4489 PolarHBondContact O-N 3.37Å; C4486-V4489 WeakPolarHBondContact O-CB 3.29Å; C4486-V4489 PolarHBondContact O-N 2.88Å; V4489-L4492 PolarHBondContact O-N 3Å; V4489-L4493 HydrophobicContact CG1-CD1 4.12Å; V4489-L4493 WeakPolarHBondContact O-CG 3.48Å; V4489-L4493 PolarHBondContact O-N 3.28Å; V4489-V4517 HydrophobicContact CG1-CG1 3.87Å; V4489-K4521 HydrophobicContact CG1-CB 3.69Å; V4489-K4521 HydrophobicContact CG1-CD 4.37Å; V4489-K4521 HydrophobicContact CG1-CG 4.02Å; V4489-L4524 HydrophobicContact CG2-CD1 3.87Å; V4489-L4746 HydrophobicContact CG2-CD1 3.94Å; V4489-L4746 HydrophobicContact CG2-CD2 3.44Å; V4489-L4746 VanDerWaalsContact CG2-CD2 3.44Å; V4489-L4746 HydrophobicContact CG2-CG 4.18Å |
| 4490 | E | 69.2 | Low | 64.7 | Low | 64 Ų | 64 | 74.4 Ų | 74.4 | 30% | 0.299 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.1 | -37 | 178.8 | -73 | -166.5 | 166.5 | 0 | 0 | 112.8 | C4486 E4487 R4488 L4493 R4494 K4521 | C4486-E4490 WeakPolarHBondContact O-CG 3.42Å; C4486-E4490 PolarHBondContact O-N 3.22Å; E4487-E4490 PolarHBondContact O-N 2.85Å; R4488-E4490 VanDerWaalsContact C-N 3.33Å; R4488-E4490 PolarHBondContact O-N 2.78Å; E4490-L4493 PolarHBondContact O-N 3.2Å; E4490-R4494 WeakPolarHBondContact O-CG 3.4Å; E4490-R4494 PolarHBondContact O-N 3.19Å; E4490-K4521 WeakPolarHBondContact OE1-CE 3.36Å; E4490-K4521 IonicContact OE1-NZ 2.8Å; E4490-K4521 PolarHBondContact OE1-NZ 3.42Å |
| 4491 | N | 72.2 | Confident | 63.4 | Low | 92 Ų | 92 | 82.3 Ų | 82.3 | 49% | 0.492 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.6 | -36.5 | 173.6 | -71.7 | -33.5 | 0 | 0 | 0 | 112 | E4487 R4488 R4494 A4495 | E4487-N4491 WeakPolarHBondContact O-CB 3.47Å; E4487-N4491 VanDerWaalsContact O-CG 3.23Å; E4487-N4491 PolarHBondContact O-N 2.99Å; E4487-N4491 PolarHBondContact O-ND2 3.44Å; E4487-N4491 VanDerWaalsContact O-ND2 3.09Å; R4488-N4491 PolarHBondContact O-N 3.41Å; N4491-R4494 PolarHBondContact O-N 3.03Å; N4491-A4495 PolarHBondContact O-N 3.2Å; N4491-A4495 VanDerWaalsContact O-N 3.13Å |
| 4492 | L | 65.9 | Low | 62.2 | Low | 8 Ų | 8 | 87 Ų | 87 | 4% | 0.042 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.6 | -45.6 | 170.3 | -75.7 | 173.6 | 0 | 0 | 0 | 112.2 | R4488 V4489 R4494 A4495 I4496 V4517 L4746 E4750 I4753 L4754 | R4488-L4492 WeakPolarHBondContact O-CG 3.49Å; R4488-L4492 PolarHBondContact O-N 2.95Å; V4489-L4492 PolarHBondContact O-N 3Å; L4492-R4494 VanDerWaalsContact C-N 3.28Å; L4492-R4494 PolarHBondContact O-N 2.91Å; L4492-A4495 WeakPolarHBondContact O-CB 3.38Å; L4492-A4495 PolarHBondContact O-N 3.49Å; L4492-I4496 PolarHBondContact O-N 3.49Å; L4492-V4517 HydrophobicContact CB-CG1 4.49Å; L4492-L4746 HydrophobicContact CD1-CD2 4.05Å; L4492-E4750 HydrophobicContact CD1-CG 3.87Å; L4492-E4750 HydrophobicContact CD2-CG 4Å; L4492-E4750 HydrophobicContact CG-CG 4.2Å; L4492-I4753 HydrophobicContact CD2-CB 4.06Å; L4492-I4753 HydrophobicContact CD2-CD1 4.2Å; L4492-I4753 HydrophobicContact CD2-CG2 3.96Å; L4492-L4754 HydrophobicContact CD2-CD1 4.3Å |
| 4493 | L | 63.9 | Low | 61.2 | Low | 28 Ų | 28 | 96.4 Ų | 96.4 | 15% | 0.147 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.6 | -34.7 | 176.9 | -73.4 | 170.1 | 0 | 0 | 0 | 112.5 | V4489 E4490 A4495 I4496 R4514 V4517 V4518 K4521 | V4489-L4493 HydrophobicContact CG1-CD1 4.12Å; V4489-L4493 WeakPolarHBondContact O-CG 3.48Å; V4489-L4493 PolarHBondContact O-N 3.28Å; E4490-L4493 PolarHBondContact O-N 3.2Å; L4493-A4495 VanDerWaalsContact C-N 3.31Å; L4493-I4496 PolarHBondContact O-N 2.96Å; L4493-R4514 HydrophobicContact CD2-CG 4.2Å; L4493-V4517 HydrophobicContact CD1-CG1 4.23Å; L4493-V4517 HydrophobicContact CD2-CB 4.11Å; L4493-V4517 HydrophobicContact CD2-CG1 3.61Å; L4493-V4517 HydrophobicContact CG-CG1 3.59Å; L4493-V4518 HydrophobicContact CD2-CG2 3.96Å; L4493-K4521 HydrophobicContact CD1-CD 3.85Å |
| 4494 | R | 65.4 | Low | 60.1 | Low | 190 Ų | 190 | 96.4 Ų | 96.4 | 72% | 0.717 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -69.8 | -24.5 | 171.9 | -74.5 | 177.6 | -175.9 | 158 | 3.6 | 113.6 | E4490 N4491 L4492 | E4490-R4494 WeakPolarHBondContact O-CG 3.4Å; E4490-R4494 PolarHBondContact O-N 3.19Å; N4491-R4494 PolarHBondContact O-N 3.03Å; L4492-R4494 VanDerWaalsContact C-N 3.28Å; L4492-R4494 PolarHBondContact O-N 2.91Å |
| 4495 | A | 63.9 | Low | 58.7 | Low | 64 Ų | 64 | 98 Ų | 98 | 53% | 0.529 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -79.3 | -18.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N4491 L4492 L4493 | N4491-A4495 PolarHBondContact O-N 3.2Å; N4491-A4495 VanDerWaalsContact O-N 3.13Å; L4492-A4495 WeakPolarHBondContact O-CB 3.38Å; L4492-A4495 PolarHBondContact O-N 3.49Å; L4493-A4495 VanDerWaalsContact C-N 3.31Å |
| 4496 | I | 60 | Low | 58 | Low | 13 Ų | 13 | 101.8 Ų | 101.8 | 7% | 0.067 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -89.6 | 116.5 | 177.9 | -60.3 | 166.2 | 0 | 0 | 0 | 109.1 | L4492 L4493 E4498 V4510 R4514 I4753 | L4492-I4496 PolarHBondContact O-N 3.49Å; L4493-I4496 PolarHBondContact O-N 2.96Å; I4496-E4498 PolarHBondContact O-N 3.25Å; I4496-V4510 HydrophobicContact CG2-CG1 3.99Å; I4496-R4514 HydrophobicContact CD1-CB 4.31Å; I4496-R4514 HydrophobicContact CD1-CG 4.39Å; I4496-R4514 HydrophobicContact CG2-CG 4.45Å; I4496-I4753 HydrophobicContact CD1-CD1 4.39Å; I4496-I4753 HydrophobicContact CG1-CG2 4.4Å |
| 4497 | P | 58.2 | Low | 57.3 | Low | 84 Ų | 84 | 103.2 Ų | 103.2 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | trans | -65.4 | 131.3 | -176.9 | 25.5 | -33.6 | 0 | 0 | 0 | 111.8 | H4499 | P4497-H4499 VanDerWaalsContact C-N 3.34Å; P4497-H4499 PolarHBondContact O-N 3.47Å | ||
| 4498 | E | 52.5 | Low | 56.4 | Low | 135 Ų | 135 | 104.3 Ų | 104.3 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -71.2 | -27.2 | -170.8 | -58.9 | -153.6 | 100.8 | 0 | 0 | 114.2 | I4496 R4514 | I4496-E4498 PolarHBondContact O-N 3.25Å; E4498-R4514 IonicContact OE1-CZ 2.61Å; E4498-R4514 IonicContact OE1-NH2 2.65Å; E4498-R4514 PolarHBondContact OE1-NH2 2.73Å |
| 4499 | H | 43.8 | Very low | 55.6 | Low | 166 Ų | 166 | 104.5 Ų | 104.5 | 77% | 0.769 | 54% | 0.538 | S | S | * | . | trans | -143.4 | 109.1 | -179 | -65.1 | -38.5 | 0 | 0 | 0 | 112.4 | P4497 | P4497-H4499 VanDerWaalsContact C-N 3.34Å; P4497-H4499 PolarHBondContact O-N 3.47Å | ||
| 4500 | T | 44.6 | Very low | 55 | Low | 104 Ų | 104 | 107.9 Ų | 107.9 | 64% | 0.638 | 56% | 0.558 | S | S | * | * | trans | -134.1 | 105.3 | 162.3 | 42 | 0 | 0 | 0 | 0 | 111 | L4502 | T4500-L4502 PolarHBondContact O-N 2.67Å; T4500-L4502 VanDerWaalsContact O-N 3.16Å | ||
| 4501 | Y | 44 | Very low | 54.5 | Low | 237 Ų | 237 | 111.4 Ų | 111.4 | 93% | 0.929 | 57% | 0.572 | S | S | * | * | trans | -73.3 | 96.6 | 167 | -77.2 | -92.1 | 0 | 0 | 0 | 109.5 | ||||
| 4502 | L | 43.1 | Very low | 53.9 | Low | 153 Ų | 153 | 111.9 Ų | 111.9 | 80% | 0.801 | 57% | 0.572 | S | S | * | * | trans | -139.8 | 121 | 169.7 | -99.7 | 147.6 | 0 | 0 | 0 | 110.9 | T4500 N4504 | T4500-L4502 PolarHBondContact O-N 2.67Å; T4500-L4502 VanDerWaalsContact O-N 3.16Å; L4502-N4504 PolarHBondContact O-N 3.27Å; L4502-N4504 VanDerWaalsContact O-N 3.09Å | ||
| 4503 | K | 46.1 | Very low | 53.5 | Low | 205 Ų | 205 | 113.2 Ų | 113.2 | 89% | 0.891 | 58% | 0.579 | S | S | * | * | trans | -71.5 | 96 | 175.3 | -66.4 | 171.9 | 177.4 | 175.5 | 0 | 109 | ||||
| 4504 | N | 47.3 | Very low | 53.4 | Low | 139 Ų | 139 | 115.6 Ų | 115.6 | 74% | 0.743 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -174.5 | 158.6 | 150.3 | -90 | -23.5 | 0 | 0 | 0 | 109.9 | L4502 S4506 | L4502-N4504 PolarHBondContact O-N 3.27Å; L4502-N4504 VanDerWaalsContact O-N 3.09Å; N4504-S4506 PolarHBondContact O-N 3.36Å |
| 4505 | N | 46.8 | Very low | 53.5 | Low | 169 Ų | 169 | 112.5 Ų | 112.5 | 90% | 0.904 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 16.1 | -159.9 | -71.4 | -15.6 | 0 | 0 | 0 | 117.5 | ||
| 4506 | S | 51.7 | Low | 53.4 | Low | 85 Ų | 85 | 114.3 Ų | 114.3 | 59% | 0.594 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -9.9 | 173.4 | 52.2 | 0 | 0 | 0 | 0 | 114.2 | N4504 H4508 T4509 | N4504-S4506 PolarHBondContact O-N 3.36Å; S4506-H4508 VanDerWaalsContact C-N 3.25Å; S4506-H4508 PolarHBondContact O-N 3.4Å; S4506-T4509 PolarHBondContact O-OG1 2.95Å; S4506-T4509 VanDerWaalsContact O-OG1 3.12Å |
| 4507 | G | 50.8 | Low | 53.5 | Low | 42 Ų | 42 | 113.7 Ų | 113.7 | 43% | 0.433 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.8 | -16.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | K4511 | G4507-K4511 WeakPolarHBondContact O-CG 3.39Å; G4507-K4511 PolarHBondContact O-N 3.31Å |
| 4508 | H | 54.7 | Low | 53.9 | Low | 137 Ų | 137 | 113.3 Ų | 113.3 | 63% | 0.634 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -80 | -39.3 | -176.8 | -128.8 | -68.5 | 0 | 0 | 0 | 112.8 | S4506 K4511 Q4512 | S4506-H4508 VanDerWaalsContact C-N 3.25Å; S4506-H4508 PolarHBondContact O-N 3.4Å; H4508-K4511 PolarHBondContact O-N 2.81Å; H4508-Q4512 WeakPolarHBondContact O-CG 3.47Å; H4508-Q4512 PolarHBondContact O-N 3.37Å |
| 4509 | T | 54.5 | Low | 54.8 | Low | 79 Ų | 79 | 111.4 Ų | 111.4 | 49% | 0.485 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.5 | -40.9 | 176.8 | 49.4 | 0 | 0 | 0 | 0 | 111.5 | S4506 K4511 Q4512 L4513 | S4506-T4509 PolarHBondContact O-OG1 2.95Å; S4506-T4509 VanDerWaalsContact O-OG1 3.12Å; T4509-K4511 VanDerWaalsContact C-N 3.3Å; T4509-K4511 PolarHBondContact O-N 2.84Å; T4509-Q4512 PolarHBondContact O-N 2.95Å; T4509-L4513 WeakPolarHBondContact O-CB 3.23Å; T4509-L4513 WeakPolarHBondContact O-CG 3.36Å; T4509-L4513 PolarHBondContact O-N 3.43Å |
| 4510 | V | 55.7 | Low | 55.7 | Low | 71 Ų | 71 | 104.3 Ų | 104.3 | 43% | 0.43 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.2 | -35.1 | 175.2 | -178 | 0 | 0 | 0 | 0 | 111.6 | I4496 R4514 | I4496-V4510 HydrophobicContact CG2-CG1 3.99Å; V4510-R4514 WeakPolarHBondContact O-CB 3.45Å; V4510-R4514 PolarHBondContact O-N 3.34Å |
| 4511 | K | 58.7 | Low | 56.9 | Low | 138 Ų | 138 | 102 Ų | 102 | 60% | 0.6 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.8 | -47.7 | 171.2 | -85 | -171.9 | 173.4 | -171.5 | 0 | 112.6 | G4507 H4508 T4509 L4513 R4514 E4515 | G4507-K4511 WeakPolarHBondContact O-CG 3.39Å; G4507-K4511 PolarHBondContact O-N 3.31Å; H4508-K4511 PolarHBondContact O-N 2.81Å; T4509-K4511 VanDerWaalsContact C-N 3.3Å; T4509-K4511 PolarHBondContact O-N 2.84Å; K4511-L4513 PolarHBondContact O-N 3.06Å; K4511-R4514 PolarHBondContact O-N 3.49Å; K4511-E4515 WeakPolarHBondContact O-CB 3.45Å; K4511-E4515 WeakPolarHBondContact O-CG 3.11Å; K4511-E4515 PolarHBondContact O-N 2.91Å |
| 4512 | Q | 59.7 | Low | 57.9 | Low | 103 Ų | 103 | 93.6 Ų | 93.6 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 178 | -76.5 | 177.1 | -59.2 | 0 | 0 | 111.9 | H4508 T4509 R4514 E4515 E4516 | H4508-Q4512 WeakPolarHBondContact O-CG 3.47Å; H4508-Q4512 PolarHBondContact O-N 3.37Å; T4509-Q4512 PolarHBondContact O-N 2.95Å; Q4512-R4514 VanDerWaalsContact C-N 3.34Å; Q4512-R4514 PolarHBondContact O-N 3.09Å; Q4512-E4515 PolarHBondContact O-N 3.24Å; Q4512-E4516 WeakPolarHBondContact O-CG 3.48Å; Q4512-E4516 PolarHBondContact O-N 2.94Å |
| 4513 | L | 58.1 | Low | 59 | Low | 36 Ų | 36 | 90.5 Ų | 90.5 | 19% | 0.188 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -61.9 | -40 | 174.9 | -70.9 | 168.6 | 0 | 0 | 0 | 111.8 | T4509 K4511 E4516 V4517 L4749 | T4509-L4513 WeakPolarHBondContact O-CB 3.23Å; T4509-L4513 WeakPolarHBondContact O-CG 3.36Å; T4509-L4513 PolarHBondContact O-N 3.43Å; K4511-L4513 PolarHBondContact O-N 3.06Å; L4513-E4516 PolarHBondContact O-N 3.47Å; L4513-V4517 WeakPolarHBondContact O-CB 3.28Å; L4513-V4517 WeakPolarHBondContact O-CG2 3.21Å; L4513-V4517 PolarHBondContact O-N 3.34Å; L4513-L4749 HydrophobicContact CD2-CD2 3.69Å |
| 4514 | R | 62.1 | Low | 59.8 | Low | 77 Ų | 77 | 80.8 Ų | 80.8 | 29% | 0.291 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 174.6 | -164.8 | 178.4 | -171.7 | -164.2 | -0 | 111.8 | L4493 I4496 E4498 V4510 K4511 Q4512 V4518 | L4493-R4514 HydrophobicContact CD2-CG 4.2Å; I4496-R4514 HydrophobicContact CD1-CB 4.31Å; I4496-R4514 HydrophobicContact CD1-CG 4.39Å; I4496-R4514 HydrophobicContact CG2-CG 4.45Å; E4498-R4514 IonicContact OE1-CZ 2.61Å; E4498-R4514 IonicContact OE1-NH2 2.65Å; E4498-R4514 PolarHBondContact OE1-NH2 2.73Å; V4510-R4514 WeakPolarHBondContact O-CB 3.45Å; V4510-R4514 PolarHBondContact O-N 3.34Å; K4511-R4514 PolarHBondContact O-N 3.49Å; Q4512-R4514 VanDerWaalsContact C-N 3.34Å; Q4512-R4514 PolarHBondContact O-N 3.09Å; R4514-V4518 WeakPolarHBondContact O-CB 3.42Å; R4514-V4518 VanDerWaalsContact O-CG2 3.23Å; R4514-V4518 WeakPolarHBondContact O-CG2 3.42Å; R4514-V4518 PolarHBondContact O-N 3.42Å |
| 4515 | E | 67.2 | Low | 60.7 | Low | 125 Ų | 125 | 78.1 Ų | 78.1 | 58% | 0.584 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -65 | -46.4 | 175.3 | -75.9 | 168.1 | -165.9 | 0 | 0 | 111.3 | K4511 Q4512 V4518 L4519 | K4511-E4515 WeakPolarHBondContact O-CB 3.45Å; K4511-E4515 WeakPolarHBondContact O-CG 3.11Å; K4511-E4515 PolarHBondContact O-N 2.91Å; Q4512-E4515 PolarHBondContact O-N 3.24Å; E4515-V4518 PolarHBondContact O-N 2.84Å; E4515-L4519 WeakPolarHBondContact O-CB 3.38Å; E4515-L4519 PolarHBondContact O-N 3.48Å |
| 4516 | E | 62.1 | Low | 61.6 | Low | 102 Ų | 102 | 73.7 Ų | 73.7 | 48% | 0.477 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 175.7 | -74.1 | -179.5 | 173.9 | 0 | 0 | 112.6 | Q4512 L4513 V4518 L4519 L4520 | Q4512-E4516 WeakPolarHBondContact O-CG 3.48Å; Q4512-E4516 PolarHBondContact O-N 2.94Å; L4513-E4516 PolarHBondContact O-N 3.47Å; E4516-V4518 VanDerWaalsContact C-N 3.35Å; E4516-V4518 PolarHBondContact O-N 3.33Å; E4516-L4519 PolarHBondContact O-N 3.48Å; E4516-L4520 WeakPolarHBondContact O-CB 3.21Å; E4516-L4520 PolarHBondContact O-N 3.39Å |
| 4517 | V | 61.2 | Low | 61.9 | Low | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.006 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.2 | -34.8 | 176.4 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | V4489 L4492 L4493 L4513 K4521 L4749 I4753 | V4489-V4517 HydrophobicContact CG1-CG1 3.87Å; L4492-V4517 HydrophobicContact CB-CG1 4.49Å; L4493-V4517 HydrophobicContact CD1-CG1 4.23Å; L4493-V4517 HydrophobicContact CD2-CB 4.11Å; L4493-V4517 HydrophobicContact CD2-CG1 3.61Å; L4493-V4517 HydrophobicContact CG-CG1 3.59Å; L4513-V4517 WeakPolarHBondContact O-CB 3.28Å; L4513-V4517 WeakPolarHBondContact O-CG2 3.21Å; L4513-V4517 PolarHBondContact O-N 3.34Å; V4517-K4521 WeakPolarHBondContact O-CB 3.45Å; V4517-K4521 PolarHBondContact O-N 3.07Å; V4517-L4749 HydrophobicContact CG2-CD1 4.11Å; V4517-L4749 HydrophobicContact CG2-CD2 4.48Å; V4517-I4753 HydrophobicContact CG2-CD1 4.02Å |
| 4518 | V | 68 | Low | 62.5 | Low | 75 Ų | 75 | 72.7 Ų | 72.7 | 46% | 0.455 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.6 | -37.9 | 171.1 | 167.1 | 0 | 0 | 0 | 0 | 111.6 | L4493 R4514 E4515 E4516 K4521 S4522 | L4493-V4518 HydrophobicContact CD2-CG2 3.96Å; R4514-V4518 WeakPolarHBondContact O-CB 3.42Å; R4514-V4518 VanDerWaalsContact O-CG2 3.23Å; R4514-V4518 WeakPolarHBondContact O-CG2 3.42Å; R4514-V4518 PolarHBondContact O-N 3.42Å; E4515-V4518 PolarHBondContact O-N 2.84Å; E4516-V4518 VanDerWaalsContact C-N 3.35Å; E4516-V4518 PolarHBondContact O-N 3.33Å; V4518-K4521 WeakPolarHBondContact O-CB 3.45Å; V4518-K4521 PolarHBondContact O-N 3.33Å; V4518-S4522 PolarHBondContact O-N 2.98Å |
| 4519 | L | 70.3 | Confident | 62.7 | Low | 96 Ų | 96 | 72.5 Ų | 72.5 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.4 | -44.6 | 177.6 | -140.2 | 157.7 | 0 | 0 | 0 | 110.6 | E4515 E4516 S4522 Q4523 | E4515-L4519 WeakPolarHBondContact O-CB 3.38Å; E4515-L4519 PolarHBondContact O-N 3.48Å; E4516-L4519 PolarHBondContact O-N 3.48Å; L4519-S4522 PolarHBondContact O-N 2.89Å; L4519-S4522 VanDerWaalsContact O-N 3.14Å; L4519-S4522 PolarHBondContact O-OG 2.82Å; L4519-Q4523 HydrophobicContact CD2-CG 4.29Å; L4519-Q4523 WeakPolarHBondContact O-CG 3.46Å; L4519-Q4523 PolarHBondContact O-N 3.45Å |
| 4520 | L | 63.3 | Low | 62.7 | Low | 17 Ų | 17 | 75.1 Ų | 75.1 | 9% | 0.089 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 170 | -79.3 | 163.7 | 0 | 0 | 0 | 112.2 | E4516 S4522 Q4523 L4524 L4742 L4749 | E4516-L4520 WeakPolarHBondContact O-CB 3.21Å; E4516-L4520 PolarHBondContact O-N 3.39Å; L4520-S4522 VanDerWaalsContact C-N 3.28Å; L4520-S4522 PolarHBondContact O-N 2.86Å; L4520-Q4523 PolarHBondContact O-N 2.9Å; L4520-L4524 WeakPolarHBondContact O-CG 3.44Å; L4520-L4524 PolarHBondContact O-N 3.13Å; L4520-L4742 HydrophobicContact CD2-CD2 3.62Å; L4520-L4749 HydrophobicContact CD1-CD1 3.25Å |
| 4521 | K | 68.8 | Low | 62.5 | Low | 56 Ų | 56 | 74.7 Ų | 74.7 | 24% | 0.243 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.6 | -43.3 | 173 | -166 | 176.4 | -178.5 | 177 | 0 | 111.3 | V4489 E4490 L4493 V4517 V4518 H4525 | V4489-K4521 HydrophobicContact CG1-CB 3.69Å; V4489-K4521 HydrophobicContact CG1-CD 4.37Å; V4489-K4521 HydrophobicContact CG1-CG 4.02Å; E4490-K4521 WeakPolarHBondContact OE1-CE 3.36Å; E4490-K4521 IonicContact OE1-NZ 2.8Å; E4490-K4521 PolarHBondContact OE1-NZ 3.42Å; L4493-K4521 HydrophobicContact CD1-CD 3.85Å; V4517-K4521 WeakPolarHBondContact O-CB 3.45Å; V4517-K4521 PolarHBondContact O-N 3.07Å; V4518-K4521 WeakPolarHBondContact O-CB 3.45Å; V4518-K4521 PolarHBondContact O-N 3.33Å; K4521-H4525 WeakPolarHBondContact O-CB 3.38Å; K4521-H4525 PolarHBondContact O-N 2.67Å |
| 4522 | S | 66.4 | Low | 61.9 | Low | 59 Ų | 59 | 72.4 Ų | 72.4 | 41% | 0.413 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67 | -37.2 | 179.1 | 81.2 | 0 | 0 | 0 | 0 | 112.9 | V4518 L4519 L4520 T4526 | V4518-S4522 PolarHBondContact O-N 2.98Å; L4519-S4522 PolarHBondContact O-N 2.89Å; L4519-S4522 VanDerWaalsContact O-N 3.14Å; L4519-S4522 PolarHBondContact O-OG 2.82Å; L4520-S4522 VanDerWaalsContact C-N 3.28Å; L4520-S4522 PolarHBondContact O-N 2.86Å; S4522-T4526 WeakPolarHBondContact O-CB 3.32Å; S4522-T4526 WeakPolarHBondContact O-CG2 3.31Å; S4522-T4526 PolarHBondContact O-N 2.79Å; S4522-T4526 PolarHBondContact O-OG1 2.99Å |
| 4523 | Q | 65 | Low | 61.2 | Low | 88 Ų | 88 | 72.6 Ų | 72.6 | 41% | 0.411 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.6 | -45.3 | 176.4 | -73.5 | 174.5 | -10.4 | 0 | 0 | 111.1 | L4519 L4520 T4526 M4527 | L4519-Q4523 HydrophobicContact CD2-CG 4.29Å; L4519-Q4523 WeakPolarHBondContact O-CG 3.46Å; L4519-Q4523 PolarHBondContact O-N 3.45Å; L4520-Q4523 PolarHBondContact O-N 2.9Å; Q4523-T4526 WeakPolarHBondContact CA-OG1 3.21Å; Q4523-T4526 PolarHBondContact O-N 2.84Å; Q4523-T4526 PolarHBondContact O-OG1 3.2Å; Q4523-M4527 WeakPolarHBondContact O-CG 3.39Å; Q4523-M4527 PolarHBondContact O-N 3.23Å |
| 4524 | L | 64.2 | Low | 60.6 | Low | 1 Ų | 1 | 78 Ų | 78 | 1% | 0.005 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 174.6 | -69.9 | 165 | 0 | 0 | 0 | 112.1 | L4482 A4485 V4489 L4520 T4526 M4527 I4528 L4742 L4746 | L4482-L4524 HydrophobicContact CD2-CD2 3.62Å; A4485-L4524 HydrophobicContact CB-CD1 4.37Å; A4485-L4524 HydrophobicContact CB-CD2 4.47Å; V4489-L4524 HydrophobicContact CG2-CD1 3.87Å; L4520-L4524 WeakPolarHBondContact O-CG 3.44Å; L4520-L4524 PolarHBondContact O-N 3.13Å; L4524-T4526 VanDerWaalsContact C-N 3.35Å; L4524-T4526 PolarHBondContact O-N 3.26Å; L4524-M4527 PolarHBondContact O-N 2.91Å; L4524-I4528 WeakPolarHBondContact O-CG1 3.49Å; L4524-I4528 PolarHBondContact O-N 2.79Å; L4524-L4742 HydrophobicContact CD2-CD1 4.12Å; L4524-L4746 HydrophobicContact CD1-CD1 4.48Å |
| 4525 | H | 64.9 | Low | 59.7 | Low | 84 Ų | 84 | 78.8 Ų | 78.8 | 39% | 0.389 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.5 | -31.8 | 175.6 | -101.3 | 52.8 | 0 | 0 | 0 | 113.7 | K4521 K4529 | K4521-H4525 WeakPolarHBondContact O-CB 3.38Å; K4521-H4525 PolarHBondContact O-N 2.67Å; H4525-K4529 WeakPolarHBondContact O-CB 3.46Å; H4525-K4529 WeakPolarHBondContact O-CG 3.34Å; H4525-K4529 PolarHBondContact O-N 3.4Å |
| 4526 | T | 66.1 | Low | 58.4 | Low | 76 Ų | 76 | 76.9 Ų | 76.9 | 47% | 0.466 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -73.3 | -37.2 | 175.5 | 42.8 | 0 | 0 | 0 | 0 | 111.6 | S4522 Q4523 L4524 K4529 Q4530 | S4522-T4526 WeakPolarHBondContact O-CB 3.32Å; S4522-T4526 WeakPolarHBondContact O-CG2 3.31Å; S4522-T4526 PolarHBondContact O-N 2.79Å; S4522-T4526 PolarHBondContact O-OG1 2.99Å; Q4523-T4526 WeakPolarHBondContact CA-OG1 3.21Å; Q4523-T4526 PolarHBondContact O-N 2.84Å; Q4523-T4526 PolarHBondContact O-OG1 3.2Å; L4524-T4526 VanDerWaalsContact C-N 3.35Å; L4524-T4526 PolarHBondContact O-N 3.26Å; T4526-K4529 PolarHBondContact O-N 3.36Å; T4526-Q4530 VanDerWaalsContact O-CG 3.31Å; T4526-Q4530 WeakPolarHBondContact O-CG 3.15Å; T4526-Q4530 PolarHBondContact O-N 3.48Å |
| 4527 | M | 58.9 | Low | 57.4 | Low | 72 Ų | 72 | 77.4 Ų | 77.4 | 36% | 0.355 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.3 | -49.9 | 170.8 | -68.8 | -177.3 | 74.1 | 0 | 0 | 111.6 | Q4523 L4524 K4529 Q4530 E4531 L4742 | Q4523-M4527 WeakPolarHBondContact O-CG 3.39Å; Q4523-M4527 PolarHBondContact O-N 3.23Å; L4524-M4527 PolarHBondContact O-N 2.91Å; M4527-K4529 VanDerWaalsContact C-N 3.33Å; M4527-K4529 PolarHBondContact O-N 2.9Å; M4527-Q4530 PolarHBondContact O-N 3.38Å; M4527-Q4530 VanDerWaalsContact O-N 3.14Å; M4527-E4531 PolarHBondContact O-N 2.83Å; M4527-L4742 HydrophobicContact SD-CD1 4.2Å |
| 4528 | I | 62.4 | Low | 56.3 | Low | 34 Ų | 34 | 83 Ų | 83 | 17% | 0.174 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 177.8 | -65.8 | 167.6 | 0 | 0 | 0 | 111.7 | L4482 L4524 E4531 L4532 | L4482-I4528 HydrophobicContact CB-CD1 4.33Å; L4482-I4528 HydrophobicContact CB-CG1 4.33Å; L4524-I4528 WeakPolarHBondContact O-CG1 3.49Å; L4524-I4528 PolarHBondContact O-N 2.79Å; I4528-E4531 PolarHBondContact O-N 3.18Å; I4528-L4532 HydrophobicContact CG2-CD1 4.29Å; I4528-L4532 PolarHBondContact O-N 3.49Å |
| 4529 | K | 59.4 | Low | 55.1 | Low | 133 Ų | 133 | 85 Ų | 85 | 58% | 0.578 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68.9 | -30.7 | 175.9 | -82.7 | -172.8 | 172.9 | -173.3 | 0 | 114 | H4525 T4526 M4527 E4531 L4533 | H4525-K4529 WeakPolarHBondContact O-CB 3.46Å; H4525-K4529 WeakPolarHBondContact O-CG 3.34Å; H4525-K4529 PolarHBondContact O-N 3.4Å; T4526-K4529 PolarHBondContact O-N 3.36Å; M4527-K4529 VanDerWaalsContact C-N 3.33Å; M4527-K4529 PolarHBondContact O-N 2.9Å; K4529-E4531 VanDerWaalsContact C-N 3.26Å; K4529-E4531 PolarHBondContact O-N 2.82Å; K4529-L4533 WeakPolarHBondContact O-CG 3.35Å; K4529-L4533 PolarHBondContact O-N 2.87Å |
| 4530 | Q | 55 | Low | 53.6 | Low | 133 Ų | 133 | 90.6 Ų | 90.6 | 62% | 0.621 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -68.4 | -26.4 | 176.9 | -78.4 | 176.6 | 0.4 | 0 | 0 | 112.5 | T4526 M4527 | T4526-Q4530 VanDerWaalsContact O-CG 3.31Å; T4526-Q4530 WeakPolarHBondContact O-CG 3.15Å; T4526-Q4530 PolarHBondContact O-N 3.48Å; M4527-Q4530 PolarHBondContact O-N 3.38Å; M4527-Q4530 VanDerWaalsContact O-N 3.14Å |
| 4531 | E | 49.9 | Very low | 52 | Low | 63 Ų | 63 | 93.9 Ų | 93.9 | 29% | 0.294 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -84.5 | -38.4 | 174.3 | -68.6 | -173.1 | 153.7 | 0 | 0 | 113.3 | M4527 I4528 K4529 L4533 K4534 K4535 | M4527-E4531 PolarHBondContact O-N 2.83Å; I4528-E4531 PolarHBondContact O-N 3.18Å; K4529-E4531 VanDerWaalsContact C-N 3.26Å; K4529-E4531 PolarHBondContact O-N 2.82Å; E4531-L4533 VanDerWaalsContact C-N 3.28Å; E4531-L4533 PolarHBondContact O-N 3.43Å; E4531-K4534 WeakPolarHBondContact O-CA 3.43Å; E4531-K4534 WeakPolarHBondContact O-CB 3.42Å; E4531-K4534 PolarHBondContact O-N 3.18Å; E4531-K4535 PolarHBondContact O-N 3.03Å |
| 4532 | L | 48 | Very low | 50.1 | Low | 89 Ų | 89 | 95.3 Ų | 95.3 | 47% | 0.466 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -55.7 | -43.7 | 172.4 | -83.8 | 161.6 | 0 | 0 | 0 | 111.7 | I4528 K4534 K4535 D4536 | I4528-L4532 HydrophobicContact CG2-CD1 4.29Å; I4528-L4532 PolarHBondContact O-N 3.49Å; L4532-K4534 PolarHBondContact O-N 3.37Å; L4532-K4535 PolarHBondContact O-N 2.73Å; L4532-K4535 VanDerWaalsContact O-N 3.17Å; L4532-D4536 PolarHBondContact O-N 3.23Å |
| 4533 | L | 44.6 | Very low | 48.2 | Very low | 108 Ų | 108 | 99.4 Ų | 99.4 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.7 | -19.5 | 174.4 | -74.5 | 169.5 | 0 | 0 | 0 | 114.2 | K4529 E4531 N4537 | K4529-L4533 WeakPolarHBondContact O-CG 3.35Å; K4529-L4533 PolarHBondContact O-N 2.87Å; E4531-L4533 VanDerWaalsContact C-N 3.28Å; E4531-L4533 PolarHBondContact O-N 3.43Å; L4533-N4537 PolarHBondContact O-ND2 3.4Å |
| 4534 | K | 45.2 | Very low | 46.4 | Very low | 148 Ų | 148 | 105 Ų | 105 | 64% | 0.643 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -83.6 | -41.9 | 171.1 | -72.2 | 179 | 179.2 | 176.5 | 0 | 111.6 | E4531 L4532 N4537 L4538 | E4531-K4534 WeakPolarHBondContact O-CA 3.43Å; E4531-K4534 WeakPolarHBondContact O-CB 3.42Å; E4531-K4534 PolarHBondContact O-N 3.18Å; L4532-K4534 PolarHBondContact O-N 3.37Å; K4534-N4537 PolarHBondContact O-N 3.2Å; K4534-L4538 PolarHBondContact O-N 3.49Å |
| 4535 | K | 43.6 | Very low | 44.7 | Very low | 95 Ų | 95 | 109.4 Ų | 109.4 | 41% | 0.413 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.8 | -43.4 | 174.9 | -81.9 | 176 | 178.6 | 168.6 | 0 | 111.2 | E4479 E4531 L4532 N4537 L4538 I4539 | E4479-K4535 IonicContact OE2-NZ 3.26Å; E4479-K4535 PolarHBondContact OE2-NZ 3.48Å; E4531-K4535 PolarHBondContact O-N 3.03Å; L4532-K4535 PolarHBondContact O-N 2.73Å; L4532-K4535 VanDerWaalsContact O-N 3.17Å; K4535-N4537 PolarHBondContact O-N 2.83Å; K4535-L4538 PolarHBondContact O-N 3.19Å; K4535-I4539 WeakPolarHBondContact O-CG1 3.36Å; K4535-I4539 PolarHBondContact O-N 2.97Å; K4535-I4539 VanDerWaalsContact O-N 3.09Å |
| 4536 | D | 40 | Very low | 43 | Very low | 85 Ų | 85 | 111.2 Ų | 111.2 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.1 | -40.3 | 177.8 | -70.3 | -22.6 | 0 | 0 | 0 | 112.8 | L4532 L4538 I4539 Y4540 | L4532-D4536 PolarHBondContact O-N 3.23Å; D4536-L4538 VanDerWaalsContact C-N 3.31Å; D4536-L4538 PolarHBondContact O-N 2.8Å; D4536-I4539 PolarHBondContact O-N 3.09Å; D4536-Y4540 WeakPolarHBondContact O-CD2 3.41Å; D4536-Y4540 PolarHBondContact O-N 3.37Å |
| 4537 | N | 40.4 | Very low | 41 | Very low | 112 Ų | 112 | 114 Ų | 114 | 60% | 0.599 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71.4 | -23.1 | 175.9 | -77.9 | -50.6 | 0 | 0 | 0 | 113.5 | L4533 K4534 K4535 S4541 | L4533-N4537 PolarHBondContact O-ND2 3.4Å; K4534-N4537 PolarHBondContact O-N 3.2Å; K4535-N4537 PolarHBondContact O-N 2.83Å; N4537-S4541 PolarHBondContact O-OG 3.13Å |
| 4538 | L | 38 | Very low | 39.7 | Very low | 119 Ų | 119 | 118.5 Ų | 118.5 | 62% | 0.623 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -76.3 | -31.7 | 172.4 | -98.5 | 149.6 | 0 | 0 | 0 | 112.5 | K4534 K4535 D4536 Y4540 S4541 | K4534-L4538 PolarHBondContact O-N 3.49Å; K4535-L4538 PolarHBondContact O-N 3.19Å; D4536-L4538 VanDerWaalsContact C-N 3.31Å; D4536-L4538 PolarHBondContact O-N 2.8Å; L4538-Y4540 VanDerWaalsContact C-N 3.3Å; L4538-S4541 WeakPolarHBondContact CA-OG 3.29Å; L4538-S4541 PolarHBondContact O-N 3.25Å; L4538-S4541 PolarHBondContact O-OG 3.43Å |
| 4539 | I | 42.6 | Very low | 38 | Very low | 117 Ų | 117 | 120.6 Ų | 120.6 | 60% | 0.6 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.9 | -28.9 | 174.1 | -66.1 | 163.4 | 0 | 0 | 0 | 111.3 | K4535 D4536 S4541 | K4535-I4539 WeakPolarHBondContact O-CG1 3.36Å; K4535-I4539 PolarHBondContact O-N 2.97Å; K4535-I4539 VanDerWaalsContact O-N 3.09Å; D4536-I4539 PolarHBondContact O-N 3.09Å; I4539-S4541 VanDerWaalsContact C-N 3.35Å |
| 4540 | Y | 38.2 | Very low | 36.5 | Very low | 213 Ų | 213 | 123.3 Ų | 123.3 | 84% | 0.835 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 7.4 | 173 | -82 | -79.4 | 0 | 0 | 0 | 115.1 | D4536 L4538 | D4536-Y4540 WeakPolarHBondContact O-CD2 3.41Å; D4536-Y4540 PolarHBondContact O-N 3.37Å; L4538-Y4540 VanDerWaalsContact C-N 3.3Å |
| 4541 | S | 31.3 | Very low | 35.3 | Very low | 87 Ų | 87 | 123.9 Ų | 123.9 | 61% | 0.608 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.5 | 15.1 | 176.1 | 46.3 | 0 | 0 | 0 | 0 | 114.2 | N4537 L4538 I4539 | N4537-S4541 PolarHBondContact O-OG 3.13Å; L4538-S4541 WeakPolarHBondContact CA-OG 3.29Å; L4538-S4541 PolarHBondContact O-N 3.25Å; L4538-S4541 PolarHBondContact O-OG 3.43Å; I4539-S4541 VanDerWaalsContact C-N 3.35Å |
| 4542 | S | 27.6 | Very low | 34.3 | Very low | 85 Ų | 85 | 127 Ų | 127 | 59% | 0.594 | 66% | 0.664 | S | S | * | * | trans | -109 | 56.7 | 171.3 | 65.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 4543 | D | 27.7 | Very low | 33.3 | Very low | 146 Ų | 146 | 131.1 Ų | 131.1 | 78% | 0.781 | 68% | 0.681 | S | S | * | * | trans | -154.2 | 60 | 170.2 | -111.2 | -21 | 0 | 0 | 0 | 113.5 | ||||
| 4544 | E | 27.3 | Very low | 32.5 | Very low | 206 Ų | 206 | 128.9 Ų | 128.9 | 96% | 0.963 | 68% | 0.683 | S | S | * | * | trans | -111.3 | 74 | 149.6 | -80.7 | -163 | 161.1 | 0 | 0 | 109.5 | ||||
| 4545 | S | 27.1 | Very low | 31.7 | Very low | 92 Ų | 92 | 128.7 Ų | 128.7 | 64% | 0.643 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -131.9 | 129.2 | 155.6 | 75.5 | 0 | 0 | 0 | 0 | 109.4 | V4547 | S4545-V4547 PolarHBondContact O-N 3.36Š|
| 4546 | S | 29 | Very low | 30.7 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 85% | 0.853 | 71% | 0.706 | S | S | * | * | trans | -72 | 117 | -173.5 | 54.9 | 0 | 0 | 0 | 0 | 111.7 | L4548 | S4546-L4548 PolarHBondContact O-N 3.04Š| ||
| 4547 | V | 25.8 | Very low | 30.1 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | trans | -65.1 | 120.3 | 173.1 | 172.8 | 0 | 0 | 0 | 0 | 111.8 | S4545 | S4545-V4547 PolarHBondContact O-N 3.36Š| ||
| 4548 | L | 29.9 | Very low | 29.5 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 88% | 0.88 | 72% | 0.721 | S | S | * | * | trans | -159 | 121.4 | 147.5 | -91.9 | 173.2 | 0 | 0 | 0 | 106.3 | S4546 | S4546-L4548 PolarHBondContact O-N 3.04Š| ||
| 4549 | S | 26.8 | Very low | 29 | Very low | 78 Ų | 78 | 137.5 Ų | 137.5 | 55% | 0.545 | 72% | 0.719 | S | S | . | * | cis | -165.4 | 154.6 | 0.6 | 68.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 4550 | K | 27.6 | Very low | 28.2 | Very low | 189 Ų | 189 | 135.9 Ų | 135.9 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | trans | 67.4 | 137.9 | 157.1 | -67.8 | 166 | -177.3 | 171.6 | 0 | 115.8 | ||||
| 4551 | K | 30.1 | Very low | 27.6 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 63% | 0.63 | 71% | 0.712 | S | S | * | * | cis | -164.1 | 144.2 | 19 | -123.1 | 164.3 | 160.4 | -79.1 | 0 | 109.4 | ||||
| 4552 | E | 28.9 | Very low | 27.5 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 60% | 0.603 | 72% | 0.717 | S | S | * | * | trans | 64.2 | 142.3 | 144 | -65.3 | 157.1 | 176.2 | 0 | 0 | 118.2 | ||||
| 4553 | Q | 28.5 | Very low | 27.6 | Very low | 176 Ų | 176 | 137.2 Ų | 137.2 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | cis | -167.5 | 161.2 | 0.2 | -119.1 | 162.7 | 15.8 | 0 | 0 | 109.5 | ||||
| 4554 | G | 27.6 | Very low | 27.6 | Very low | 60 Ų | 60 | 135.6 Ų | 135.6 | 62% | 0.619 | 72% | 0.717 | S | S | * | * | trans | 95.7 | 79.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 4555 | N | 28.2 | Very low | 27.6 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 78% | 0.775 | 71% | 0.706 | S | S | * | * | 70.7 | 113.4 | 89 | -63.5 | -2.6 | 0 | 0 | 0 | 112.8 | |||||
| 4556 | Y | 23 | Very low | 27.7 | Very low | 197 Ų | 197 | 136.8 Ų | 136.8 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | cis | 121.5 | 159.4 | 28.8 | -107.3 | -61 | 0 | 0 | 0 | 107.4 | ||||
| 4557 | I | 27.2 | Very low | 27.7 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 63% | 0.631 | 69% | 0.693 | S | S | * | * | trans | 75.4 | 131.1 | 144.8 | -82.9 | 164.9 | 0 | 0 | 0 | 115.6 | ||||
| 4558 | F | 27.2 | Very low | 27.9 | Very low | 164 Ų | 164 | 137.4 Ų | 137.4 | 72% | 0.719 | 69% | 0.689 | S | S | * | * | cis | -163.8 | 174.1 | 4.1 | -106.3 | -36.1 | 0 | 0 | 0 | 107.1 | ||||
| 4559 | D | 27.2 | Very low | 27.6 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 59% | 0.594 | 68% | 0.684 | S | S | * | * | cis | -159.4 | 170.1 | 1.9 | -136.1 | -30.3 | 0 | 0 | 0 | 114.2 | ||||
| 4560 | S | 27.1 | Very low | 27.5 | Very low | 84 Ų | 84 | 134.5 Ų | 134.5 | 59% | 0.587 | 70% | 0.695 | S | S | * | * | trans | 42.5 | 112.5 | 143.8 | 73.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 4561 | S | 25.1 | Very low | 27.2 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | 65 | 127.3 | 55.7 | 88 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 4562 | L | 28.2 | Very low | 27.1 | Very low | 136 Ų | 136 | 139 Ų | 139 | 71% | 0.712 | 71% | 0.712 | S | S | * | * | trans | -178.2 | 138.8 | 143.8 | -74.9 | -160.2 | 0 | 0 | 0 | 106.2 | ||||
| 4563 | Y | 29.3 | Very low | 27 | Very low | 176 Ų | 176 | 135.4 Ų | 135.4 | 69% | 0.69 | 71% | 0.709 | S | S | * | * | cis | -151.4 | 123.6 | -11.2 | -101.5 | -53.6 | 0 | 0 | 0 | 104.6 | ||||
| 4564 | T | 28.2 | Very low | 26.8 | Very low | 112 Ų | 112 | 137 Ų | 137 | 69% | 0.687 | 71% | 0.713 | S | S | * | * | 60.1 | 162.6 | 95.3 | 75.3 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 4565 | R | 27.4 | Very low | 26.7 | Very low | 189 Ų | 189 | 143 Ų | 143 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | cis | -170.1 | 160.5 | 25.4 | -139.3 | -175.3 | 151.1 | 121 | -7.1 | 109.9 | ||||
| 4566 | E | 28.8 | Very low | 26.4 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 63% | 0.626 | 72% | 0.715 | S | S | * | * | trans | 66.8 | 154.2 | 153 | -68.9 | 171.3 | -178.7 | 0 | 0 | 118 | ||||
| 4567 | N | 29.3 | Very low | 26.5 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 61% | 0.61 | 73% | 0.725 | S | S | * | * | cis | -167.7 | 155.9 | -11.7 | -103.4 | -18.5 | 0 | 0 | 0 | 107.7 | ||||
| 4568 | Q | 29.6 | Very low | 26.3 | Very low | 155 Ų | 155 | 139 Ų | 139 | 72% | 0.724 | 71% | 0.713 | S | S | * | * | cis | -160.7 | 157 | -12.8 | -141.3 | 172.1 | 80.8 | 0 | 0 | 110.5 | ||||
| 4569 | S | 23.7 | Very low | 26.2 | Very low | 110 Ų | 110 | 140 Ų | 140 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | trans | 35.3 | 120.4 | 155.8 | 62.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 4570 | G | 24.8 | Very low | 26.3 | Very low | 75 Ų | 75 | 142.5 Ų | 142.5 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | trans | -159.7 | 110.5 | 155.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q4572 | G4570-Q4572 PolarHBondContact O-N 3.23Š| ||
| 4571 | Y | 22.5 | Very low | 26.2 | Very low | 241 Ų | 241 | 145.2 Ų | 145.2 | 95% | 0.945 | 73% | 0.728 | S | S | * | * | trans | -75.5 | 108.4 | 176.3 | -115.5 | -94.7 | 0 | 0 | 0 | 110.3 | ||||
| 4572 | Q | 28.2 | Very low | 26.3 | Very low | 187 Ų | 187 | 146.3 Ų | 146.3 | 87% | 0.874 | 73% | 0.725 | S | S | * | * | trans | -173.9 | 134.5 | 165.7 | -105.4 | 159.9 | 3 | 0 | 0 | 107.2 | G4570 | G4570-Q4572 PolarHBondContact O-N 3.23Š| ||
| 4573 | G | 25.4 | Very low | 26.2 | Very low | 53 Ų | 53 | 144.9 Ų | 144.9 | 55% | 0.546 | 73% | 0.727 | S | S | . | * | cis | 149.6 | 113 | 4.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 4574 | K | 24.2 | Very low | 26 | Very low | 209 Ų | 209 | 145.5 Ų | 145.5 | 91% | 0.909 | 74% | 0.736 | S | S | * | * | trans | 37.8 | 83.9 | 173.6 | -64.4 | -179.6 | 178.2 | 179.2 | 0 | 116.3 | S4576 | K4574-S4576 PolarHBondContact O-N 2.87Š| ||
| 4575 | F | 25.2 | Very low | 25.9 | Very low | 188 Ų | 188 | 151.5 Ų | 151.5 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | trans | -90.5 | 90.6 | 167.6 | -78.2 | -74.6 | 0 | 0 | 0 | 112.3 | ||||
| 4576 | S | 23.8 | Very low | 25.9 | Very low | 86 Ų | 86 | 150.3 Ų | 150.3 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | trans | -61.2 | 137.2 | 158.4 | 41.7 | 0 | 0 | 0 | 0 | 111.1 | K4574 D4578 | K4574-S4576 PolarHBondContact O-N 2.87Å; S4576-D4578 PolarHBondContact O-N 3.31Å | ||
| 4577 | F | 24.8 | Very low | 25.8 | Very low | 224 Ų | 224 | 149.7 Ų | 149.7 | 98% | 0.982 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -77.4 | 64.9 | 165 | -95.2 | -89.2 | 0 | 0 | 0 | 111.1 | ||
| 4578 | D | 23 | Very low | 25.8 | Very low | 71 Ų | 71 | 153.6 Ų | 153.6 | 38% | 0.38 | 77% | 0.774 | S | S | . | * | trans | -126.1 | 83.6 | 160.9 | -99.4 | -46.5 | 0 | 0 | 0 | 106 | S4576 R4691 | S4576-D4578 PolarHBondContact O-N 3.31Å; D4578-R4691 IonicContact OD1-CZ 3.82Å; D4578-R4691 VanDerWaalsContact OD1-CZ 3.27Å; D4578-R4691 IonicContact OD1-NH1 3.01Å; D4578-R4691 PolarHBondContact OD1-NH1 3.41Å; D4578-R4691 IonicContact OD1-NH2 3.97Å; D4578-R4691 PolarHBondContact OD1-NH2 3.41Å; D4578-R4691 IonicContact OD2-CZ 3.47Å; D4578-R4691 IonicContact OD2-NH2 3.14Å; D4578-R4691 PolarHBondContact OD2-NH2 3.29Å | ||
| 4579 | Y | 24.9 | Very low | 25.5 | Very low | 184 Ų | 184 | 157.5 Ų | 157.5 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | -169.7 | 60.9 | 165.3 | -105.5 | -66.5 | 0 | 0 | 0 | 111.7 | L4582 | Y4579-L4582 HydrophobicContact CD1-CB 3.88Å; Y4579-L4582 HydrophobicContact CD1-CD1 4.13Å; Y4579-L4582 HydrophobicContact CE1-CB 3.59Å; Y4579-L4582 HydrophobicContact CE1-CD1 3.48Å; Y4579-L4582 VanDerWaalsContact CE1-CD1 3.48Å; Y4579-L4582 HydrophobicContact CE1-CG 4.15Å; Y4579-L4582 HydrophobicContact CE2-CD1 4.21Å | ||
| 4580 | I | 28.1 | Very low | 25.7 | Very low | 164 Ų | 164 | 157.7 Ų | 157.7 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -131.7 | -28.5 | 148.4 | -65.4 | -172.4 | 0 | 0 | 0 | 109.3 | L4582 | I4580-L4582 PolarHBondContact O-N 3.08Å; I4580-L4582 VanDerWaalsContact O-N 3.14Å |
| 4581 | Q | 26.7 | Very low | 25.7 | Very low | 141 Ų | 141 | 160.4 Ų | 160.4 | 66% | 0.659 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -72.2 | 92.9 | 150.7 | -72.6 | -176.5 | -58.6 | 0 | 0 | 109.3 | ||
| 4582 | L | 25.4 | Very low | 25.7 | Very low | 123 Ų | 123 | 155.4 Ų | 155.4 | 64% | 0.644 | 77% | 0.772 | S | S | * | * | trans | -176.2 | 41.1 | 152.7 | -102.6 | 164 | 0 | 0 | 0 | 112.3 | Y4579 I4580 | Y4579-L4582 HydrophobicContact CD1-CB 3.88Å; Y4579-L4582 HydrophobicContact CD1-CD1 4.13Å; Y4579-L4582 HydrophobicContact CE1-CB 3.59Å; Y4579-L4582 HydrophobicContact CE1-CD1 3.48Å; Y4579-L4582 VanDerWaalsContact CE1-CD1 3.48Å; Y4579-L4582 HydrophobicContact CE1-CG 4.15Å; Y4579-L4582 HydrophobicContact CE2-CD1 4.21Å; I4580-L4582 PolarHBondContact O-N 3.08Å; I4580-L4582 VanDerWaalsContact O-N 3.14Å | ||
| 4583 | S | 26.2 | Very low | 25.6 | Very low | 107 Ų | 107 | 150.8 Ų | 150.8 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -143.2 | 37.6 | 172.4 | 71.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 4584 | E | 26.2 | Very low | 25.7 | Very low | 188 Ų | 188 | 155.5 Ų | 155.5 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -163.2 | 131.5 | 162.7 | -114 | 162 | -151.9 | 0 | 0 | 109 | ||
| 4585 | R | 25.2 | Very low | 25.6 | Very low | 239 Ų | 239 | 151.1 Ų | 151.1 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | trans | 72.7 | 93.2 | -171.1 | -50.8 | 179.6 | -176 | -173 | -0.9 | 115.6 | ||||
| 4586 | D | 29 | Very low | 25.7 | Very low | 163 Ų | 163 | 145.9 Ų | 145.9 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | -154.7 | 150.4 | 95.6 | -102.6 | -20.2 | 0 | 0 | 0 | 112.6 | |||||
| 4587 | T | 25.9 | Very low | 25.8 | Very low | 122 Ų | 122 | 153.1 Ų | 153.1 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -89.9 | 124.5 | -168.4 | 50 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 4588 | H | 29.2 | Very low | 25.8 | Very low | 195 Ų | 195 | 149.4 Ų | 149.4 | 90% | 0.903 | 77% | 0.77 | S | S | * | * | trans | -148.4 | 122.6 | 148.6 | -86.9 | -62 | 0 | 0 | 0 | 112 | ||||
| 4589 | R | 22.7 | Very low | 25.8 | Very low | 238 Ų | 238 | 150.8 Ų | 150.8 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | trans | -65 | 148.6 | 167.1 | -76.9 | 177.5 | 167.9 | 166.3 | -3.5 | 109.9 | ||||
| 4590 | P | 28.1 | Very low | 25.7 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | -141.4 | 135.2 | 102.5 | 33.6 | -18.7 | 0 | 0 | 0 | 115.8 | |||||
| 4591 | N | 24.2 | Very low | 25.5 | Very low | 132 Ų | 132 | 145.4 Ų | 145.4 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | 40.3 | 125.9 | 140.9 | -58.5 | -6.5 | 0 | 0 | 0 | 122.5 | ||||
| 4592 | T | 24.5 | Very low | 25.4 | Very low | 135 Ų | 135 | 144.9 Ų | 144.9 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | trans | 66 | 145.8 | 143.6 | 55 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 4593 | S | 24.1 | Very low | 25.3 | Very low | 91 Ų | 91 | 145 Ų | 145 | 64% | 0.636 | 81% | 0.805 | S | S | * | * | cis | -175.2 | 163.9 | -10.3 | 51 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 4594 | I | 27.6 | Very low | 25.3 | Very low | 152 Ų | 152 | 145 Ų | 145 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | 80.5 | 125.8 | 156.8 | -63.5 | 154.8 | 0 | 0 | 0 | 118.8 | ||||
| 4595 | S | 23.5 | Very low | 25.4 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -21.2 | 156.1 | 165.5 | 63 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 4596 | G | 27.2 | Very low | 25.6 | Very low | 79 Ų | 79 | 139.4 Ų | 139.4 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | 172.9 | 98.1 | 153.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 4597 | R | 25.3 | Very low | 25.5 | Very low | 237 Ų | 237 | 136.7 Ų | 136.7 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | trans | -52.4 | 139.2 | 176.9 | -86.7 | 176 | 168.6 | 166.3 | -3.5 | 117.4 | ||||
| 4598 | L | 24.5 | Very low | 25.4 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | 79.4 | 137.2 | 129 | -66.5 | 170.4 | 0 | 0 | 0 | 124.1 | |||||
| 4599 | S | 23 | Very low | 25.1 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | 80.3 | 103.6 | 138.4 | 51.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 4600 | S | 22.6 | Very low | 25.3 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | 66.7 | 122 | 126.8 | 66.9 | 0 | 0 | 0 | 0 | 122 | |||||
| 4601 | S | 25.4 | Very low | 25.1 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | -156.5 | 135.3 | 114.3 | 54.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 4602 | T | 23.3 | Very low | 25.2 | Very low | 130 Ų | 130 | 133 Ų | 133 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | trans | -117.3 | 162.6 | 167.3 | 47.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4603 | C | 23.4 | Very low | 25.2 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | trans | 80.9 | 118.9 | 161.9 | -56 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 4604 | S | 27.6 | Very low | 25.3 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | -155.9 | 149.9 | 126.1 | 70.7 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 4605 | L | 27.6 | Very low | 25.2 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 72% | 0.723 | 77% | 0.769 | S | S | * | * | cis | -167.9 | 153.6 | -16 | -111.9 | 172.9 | 0 | 0 | 0 | 110.5 | ||||
| 4606 | K | 28 | Very low | 25.1 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | 85.7 | 132.7 | 148.3 | -71 | 159.9 | 178.7 | 173.6 | 0 | 117.5 | ||||
| 4607 | T | 26.9 | Very low | 25.1 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 64% | 0.644 | 77% | 0.77 | S | S | * | * | cis | -162.4 | 166.5 | 2.6 | 2.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 4608 | F | 24.5 | Very low | 25 | Very low | 190 Ų | 190 | 138.4 Ų | 138.4 | 83% | 0.833 | 76% | 0.762 | S | S | * | * | cis | -131.9 | -161.7 | 10.2 | -98.8 | -69.8 | 0 | 0 | 0 | 110.9 | ||||
| 4609 | L | 23.5 | Very low | 25.1 | Very low | 160 Ų | 160 | 142.3 Ų | 142.3 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | trans | -134.6 | 161.1 | 176 | -75.4 | 91.9 | 0 | 0 | 0 | 110.5 | ||||
| 4610 | S | 26 | Very low | 25.2 | Very low | 109 Ų | 109 | 144.4 Ų | 144.4 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | 169.3 | 161.4 | 94.1 | 62 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 4611 | L | 25.2 | Very low | 25.4 | Very low | 147 Ų | 147 | 144.9 Ų | 144.9 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | cis | -155.5 | 162.8 | 2.3 | -155.1 | 75.3 | 0 | 0 | 0 | 110.6 | ||||
| 4612 | N | 24.9 | Very low | 25.4 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | 89.2 | 93.8 | 157.6 | -72.7 | -23.3 | 0 | 0 | 0 | 123.2 | ||||
| 4613 | Q | 25.9 | Very low | 25.4 | Very low | 138 Ų | 138 | 143 Ų | 143 | 65% | 0.645 | 76% | 0.76 | S | S | * | * | 87.7 | 105.5 | 116.8 | -72.7 | -171.9 | 49.3 | 0 | 0 | 123.1 | |||||
| 4614 | R | 24.6 | Very low | 25.6 | Very low | 203 Ų | 203 | 145.9 Ų | 145.9 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | 103 | 102.8 | 126 | -70.9 | 178.8 | -173.2 | -169 | 2.1 | 121.5 | |||||
| 4615 | I | 26.1 | Very low | 25.6 | Very low | 147 Ų | 147 | 146.7 Ų | 146.7 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | 73.4 | 124.4 | 121.6 | -62.6 | 164 | 0 | 0 | 0 | 119.7 | |||||
| 4616 | N | 21.7 | Very low | 25.6 | Very low | 155 Ų | 155 | 146.7 Ų | 146.7 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | trans | -55 | 128.4 | 164.7 | -60.3 | -18.3 | 0 | 0 | 0 | 113 | ||||
| 4617 | Q | 26.9 | Very low | 25.5 | Very low | 174 Ų | 174 | 144.7 Ų | 144.7 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | -141.6 | 145.7 | 145.7 | -74.9 | -163.6 | -26.3 | 0 | 0 | 111.1 | ||||
| 4618 | S | 23.6 | Very low | 25.8 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -48.9 | 130 | 173.7 | 46.8 | 0 | 0 | 0 | 0 | 114.4 | L4620 | S4618-L4620 PolarHBondContact O-N 3.03Š| ||
| 4619 | Y | 26.8 | Very low | 25.9 | Very low | 229 Ų | 229 | 142.4 Ų | 142.4 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | trans | -92.1 | 87.9 | 159.2 | -88.2 | -82.2 | 0 | 0 | 0 | 110.6 | ||||
| 4620 | L | 24.6 | Very low | 26.3 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | -93.5 | 108.6 | 166.6 | -143.9 | 164.2 | 0 | 0 | 0 | 106.3 | S4618 S4622 | S4618-L4620 PolarHBondContact O-N 3.03Å; L4620-S4622 PolarHBondContact O-N 3.27Å | ||
| 4621 | V | 26 | Very low | 26.5 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | -78.5 | 86.3 | -177.5 | -179 | 0 | 0 | 0 | 0 | 109.4 | C4623 | V4621-C4623 PolarHBondContact O-N 3.16Š| ||
| 4622 | S | 26.5 | Very low | 26.5 | Very low | 91 Ų | 91 | 146.1 Ų | 146.1 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | trans | -83 | 107 | 172.7 | 64.4 | 0 | 0 | 0 | 0 | 110.9 | L4620 K4624 | L4620-S4622 PolarHBondContact O-N 3.27Å; S4622-K4624 PolarHBondContact O-N 3.43Å | ||
| 4623 | C | 23.9 | Very low | 26.6 | Very low | 122 Ų | 122 | 146 Ų | 146 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -72.6 | 107.9 | 167.5 | -68 | 0 | 0 | 0 | 0 | 110 | V4621 | V4621-C4623 PolarHBondContact O-N 3.16Š| ||
| 4624 | K | 27.3 | Very low | 26.8 | Very low | 184 Ų | 184 | 145.1 Ų | 145.1 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 137.8 | 165.8 | -75.6 | -174.9 | 174.7 | -177.7 | 0 | 109.9 | S4622 | S4622-K4624 PolarHBondContact O-N 3.43Š|
| 4625 | P | 26.3 | Very low | 27 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 149.4 | 170.7 | 32.1 | -34 | 0 | 0 | 0 | 110.6 | ||
| 4626 | V | 27.7 | Very low | 27.2 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 126.3 | 177.8 | 177.9 | 0 | 0 | 0 | 0 | 109.5 | ||
| 4627 | T | 27.3 | Very low | 27.8 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -112 | 147.5 | 160.8 | 49.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4628 | P | 32.6 | Very low | 28.1 | Very low | 110 Ų | 110 | 135 Ų | 135 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | trans | -82.9 | 176.7 | -165 | 34.5 | -37.5 | 0 | 0 | 0 | 114.6 | ||||
| 4629 | D | 26.1 | Very low | 28.6 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | 97.3 | 92.2 | 170.3 | -58.8 | -18.7 | 0 | 0 | 0 | 117.9 | ||||
| 4630 | H | 32.1 | Very low | 29 | Very low | 179 Ų | 179 | 133.8 Ų | 133.8 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | -179.4 | 108.6 | 106.1 | -88.7 | -51.9 | 0 | 0 | 0 | 114.5 | |||||
| 4631 | V | 31.4 | Very low | 29.4 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | 46.6 | 100.2 | 136.7 | -168.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 4632 | F | 24.9 | Very low | 30 | Very low | 194 Ų | 194 | 135.8 Ų | 135.8 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | trans | 30.1 | 124 | 135.5 | -64.1 | -79.3 | 0 | 0 | 0 | 122.8 | ||||
| 4633 | S | 26.1 | Very low | 30.3 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | -155 | 132.8 | 131.1 | -80.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 4634 | S | 30.9 | Very low | 31 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | trans | 57.2 | 120 | 172.6 | 60 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 4635 | P | 29.3 | Very low | 31.8 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 86% | 0.857 | 74% | 0.735 | S | S | * | * | trans | -96.6 | 119.1 | 173.8 | 34.9 | -29.2 | 0 | 0 | 0 | 112.6 | ||||
| 4636 | S | 30 | Very low | 32.7 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 64% | 0.643 | 72% | 0.718 | S | S | * | * | trans | -157.5 | 132.3 | 154.8 | 61.9 | 0 | 0 | 0 | 0 | 113.1 | V4638 | S4636-V4638 PolarHBondContact O-N 2.84Å; S4636-V4638 VanDerWaalsContact O-N 3.08Å | ||
| 4637 | N | 33 | Very low | 33.4 | Very low | 150 Ų | 150 | 130.8 Ų | 130.8 | 80% | 0.802 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 61.1 | 9.2 | 158.3 | -63.9 | -25 | 0 | 0 | 0 | 121.2 | ||
| 4638 | V | 34.1 | Very low | 34.4 | Very low | 93 Ų | 93 | 129 Ų | 129 | 56% | 0.564 | 69% | 0.691 | S | S | * | * | trans | -79.8 | -33.8 | 178.7 | -178.1 | 0 | 0 | 0 | 0 | 113.5 | S4636 K4640 R4641 I4642 | S4636-V4638 PolarHBondContact O-N 2.84Å; S4636-V4638 VanDerWaalsContact O-N 3.08Å; V4638-K4640 PolarHBondContact O-N 2.96Å; V4638-R4641 PolarHBondContact O-N 3.39Å; V4638-R4641 VanDerWaalsContact O-N 3.07Å; V4638-I4642 HydrophobicContact CG1-CD1 4.15Å | ||
| 4639 | D | 33.9 | Very low | 35.1 | Very low | 135 Ų | 135 | 132 Ų | 132 | 72% | 0.722 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -12.6 | -169.9 | -61 | -31.3 | 0 | 0 | 0 | 115.7 | ||
| 4640 | K | 35.3 | Very low | 36.2 | Very low | 174 Ų | 174 | 129.9 Ų | 129.9 | 76% | 0.757 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -25.1 | 174.7 | -71.3 | -171.2 | 175.8 | -176.1 | 0 | 114.2 | V4638 | V4638-K4640 PolarHBondContact O-N 2.96Š|
| 4641 | R | 33.8 | Very low | 37.1 | Very low | 192 Ų | 192 | 125.3 Ų | 125.3 | 73% | 0.725 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -83.7 | -27.7 | -176.2 | -66.1 | -172.4 | -173.7 | 177.2 | 2.9 | 113.4 | V4638 L4643 Q4644 N4645 | V4638-R4641 PolarHBondContact O-N 3.39Å; V4638-R4641 VanDerWaalsContact O-N 3.07Å; R4641-L4643 VanDerWaalsContact C-N 3.31Å; R4641-L4643 PolarHBondContact O-N 3.44Å; R4641-Q4644 PolarHBondContact O-N 3.26Å; R4641-N4645 PolarHBondContact O-N 3.12Å |
| 4642 | I | 37.7 | Very low | 38 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 60% | 0.6 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.9 | -31.8 | 179.5 | -60.1 | 176.7 | 0 | 0 | 0 | 110.9 | V4638 | V4638-I4642 HydrophobicContact CG1-CD1 4.15Å |
| 4643 | L | 32.8 | Very low | 39.3 | Very low | 119 Ų | 119 | 119.6 Ų | 119.6 | 62% | 0.623 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -76.9 | -28.4 | 174.7 | -69.9 | 169.9 | 0 | 0 | 0 | 113.8 | R4641 S4646 F4647 | R4641-L4643 VanDerWaalsContact C-N 3.31Å; R4641-L4643 PolarHBondContact O-N 3.44Å; L4643-S4646 PolarHBondContact O-N 3.42Å; L4643-S4646 PolarHBondContact O-OG 3.13Å; L4643-F4647 PolarHBondContact O-N 3.31Å |
| 4644 | Q | 38.4 | Very low | 40.6 | Very low | 114 Ų | 114 | 117 Ų | 117 | 53% | 0.533 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.1 | -44.8 | 175.5 | -80.3 | 179.2 | -69.4 | 0 | 0 | 111.5 | R4641 S4646 F4647 D4648 | R4641-Q4644 PolarHBondContact O-N 3.26Å; Q4644-S4646 PolarHBondContact O-N 3.14Å; Q4644-S4646 VanDerWaalsContact O-N 3.11Å; Q4644-F4647 PolarHBondContact O-N 2.9Å; Q4644-D4648 WeakPolarHBondContact O-CB 3.48Å; Q4644-D4648 VanDerWaalsContact O-CG 3.28Å; Q4644-D4648 PolarHBondContact O-N 2.9Å |
| 4645 | N | 44.3 | Very low | 41.5 | Very low | 122 Ų | 122 | 115.8 Ų | 115.8 | 65% | 0.652 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -59.8 | -26.2 | 177.4 | -79.4 | 2.5 | 0 | 0 | 0 | 114.3 | R4641 R4649 | R4641-N4645 PolarHBondContact O-N 3.12Å; N4645-R4649 WeakPolarHBondContact O-CB 3.19Å; N4645-R4649 PolarHBondContact O-N 3.4Å |
| 4646 | S | 44.3 | Very low | 42.5 | Very low | 65 Ų | 65 | 111 Ų | 111 | 46% | 0.455 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -80.4 | -36.2 | 173.3 | 61.8 | 0 | 0 | 0 | 0 | 112.3 | L4643 Q4644 L4650 | L4643-S4646 PolarHBondContact O-N 3.42Å; L4643-S4646 PolarHBondContact O-OG 3.13Å; Q4644-S4646 PolarHBondContact O-N 3.14Å; Q4644-S4646 VanDerWaalsContact O-N 3.11Å; S4646-L4650 WeakPolarHBondContact O-CB 3.32Å; S4646-L4650 PolarHBondContact O-N 3.37Å |
| 4647 | F | 43.4 | Very low | 43.3 | Very low | 136 Ų | 136 | 112.1 Ų | 112.1 | 60% | 0.596 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -70.9 | -42.1 | 175.4 | -116 | -82.6 | 0 | 0 | 0 | 113 | L4643 Q4644 L4650 N4651 | L4643-F4647 PolarHBondContact O-N 3.31Å; Q4644-F4647 PolarHBondContact O-N 2.9Å; F4647-L4650 PolarHBondContact O-N 2.9Å; F4647-N4651 WeakPolarHBondContact O-CB 3.43Å; F4647-N4651 PolarHBondContact O-N 2.88Å |
| 4648 | D | 47.1 | Very low | 43.8 | Very low | 90 Ų | 90 | 111.3 Ų | 111.3 | 48% | 0.481 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 177.8 | -65.2 | -31.4 | 0 | 0 | 0 | 110.5 | Q4644 L4650 N4651 E4652 | Q4644-D4648 WeakPolarHBondContact O-CB 3.48Å; Q4644-D4648 VanDerWaalsContact O-CG 3.28Å; Q4644-D4648 PolarHBondContact O-N 2.9Å; D4648-L4650 VanDerWaalsContact C-N 3.35Å; D4648-N4651 PolarHBondContact O-N 3.11Å; D4648-E4652 WeakPolarHBondContact O-CB 3.5Å; D4648-E4652 PolarHBondContact O-N 2.8Å |
| 4649 | R | 47.6 | Very low | 44.3 | Very low | 173 Ų | 173 | 107.2 Ų | 107.2 | 65% | 0.653 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70 | -29.4 | 174.6 | -167.6 | 169 | -176.2 | 174.1 | -0.3 | 113 | N4645 L4653 | N4645-R4649 WeakPolarHBondContact O-CB 3.19Å; N4645-R4649 PolarHBondContact O-N 3.4Å; R4649-L4653 WeakPolarHBondContact O-CB 3.34Å; R4649-L4653 WeakPolarHBondContact O-CD1 3.5Å; R4649-L4653 VanDerWaalsContact O-CG 3.28Å; R4649-L4653 WeakPolarHBondContact O-CG 3.48Å; R4649-L4653 PolarHBondContact O-N 3.21Å |
| 4650 | L | 50.5 | Low | 45.1 | Very low | 93 Ų | 93 | 104.7 Ų | 104.7 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -73.5 | -38.9 | 173.1 | -170 | 126.6 | 0 | 0 | 0 | 111.2 | S4646 F4647 D4648 L4653 I4654 | S4646-L4650 WeakPolarHBondContact O-CB 3.32Å; S4646-L4650 PolarHBondContact O-N 3.37Å; F4647-L4650 PolarHBondContact O-N 2.9Å; D4648-L4650 VanDerWaalsContact C-N 3.35Å; L4650-L4653 PolarHBondContact O-N 3.36Å; L4650-I4654 HydrophobicContact CD2-CD1 3.62Å; L4650-I4654 HydrophobicContact CG-CD1 4.27Å; L4650-I4654 WeakPolarHBondContact O-CB 3.04Å; L4650-I4654 WeakPolarHBondContact O-CD1 3.4Å; L4650-I4654 WeakPolarHBondContact O-CG1 3.42Å; L4650-I4654 PolarHBondContact O-N 3.46Å |
| 4651 | N | 49.5 | Very low | 45.6 | Very low | 84 Ų | 84 | 101.6 Ų | 101.6 | 45% | 0.449 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 170.2 | -86.5 | -15.4 | 0 | 0 | 0 | 112.1 | F4647 D4648 L4653 I4654 E4655 | F4647-N4651 WeakPolarHBondContact O-CB 3.43Å; F4647-N4651 PolarHBondContact O-N 2.88Å; D4648-N4651 PolarHBondContact O-N 3.11Å; N4651-L4653 VanDerWaalsContact C-N 3.34Å; N4651-L4653 PolarHBondContact O-N 3.24Å; N4651-I4654 PolarHBondContact O-N 3.13Å; N4651-I4654 VanDerWaalsContact O-N 3.14Å; N4651-E4655 WeakPolarHBondContact O-CB 3.46Å; N4651-E4655 WeakPolarHBondContact O-CG 3.18Å; N4651-E4655 PolarHBondContact O-N 3.28Å |
| 4652 | E | 50.4 | Low | 46.1 | Very low | 106 Ų | 106 | 95.5 Ų | 95.5 | 50% | 0.495 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 175.4 | -170.7 | 177.1 | -149.1 | 0 | 0 | 111 | D4648 I4654 E4655 I4656 | D4648-E4652 WeakPolarHBondContact O-CB 3.5Å; D4648-E4652 PolarHBondContact O-N 2.8Å; E4652-I4654 PolarHBondContact O-N 2.92Å; E4652-E4655 PolarHBondContact O-N 3.03Å; E4652-I4656 HydrophobicContact CG-CD1 4.17Å; E4652-I4656 WeakPolarHBondContact O-CB 3.22Å; E4652-I4656 WeakPolarHBondContact O-CD1 3.33Å; E4652-I4656 WeakPolarHBondContact O-CG1 3.37Å; E4652-I4656 PolarHBondContact O-N 3.43Å |
| 4653 | L | 52.4 | Low | 46.1 | Very low | 88 Ų | 88 | 93.3 Ų | 93.3 | 46% | 0.461 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.9 | -35.4 | 173.1 | -75.1 | 166.7 | 0 | 0 | 0 | 113.2 | R4649 L4650 N4651 R4657 | R4649-L4653 WeakPolarHBondContact O-CB 3.34Å; R4649-L4653 WeakPolarHBondContact O-CD1 3.5Å; R4649-L4653 VanDerWaalsContact O-CG 3.28Å; R4649-L4653 WeakPolarHBondContact O-CG 3.48Å; R4649-L4653 PolarHBondContact O-N 3.21Å; L4650-L4653 PolarHBondContact O-N 3.36Å; N4651-L4653 VanDerWaalsContact C-N 3.34Å; N4651-L4653 PolarHBondContact O-N 3.24Å; L4653-R4657 WeakPolarHBondContact O-CB 3.48Å; L4653-R4657 PolarHBondContact O-N 3.42Å |
| 4654 | I | 54.4 | Low | 46.6 | Very low | 64 Ų | 64 | 89.5 Ų | 89.5 | 33% | 0.328 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.7 | -41.5 | 175 | -73 | 164.5 | 0 | 0 | 0 | 111.2 | L4650 N4651 E4652 R4657 R4658 | L4650-I4654 HydrophobicContact CD2-CD1 3.62Å; L4650-I4654 HydrophobicContact CG-CD1 4.27Å; L4650-I4654 WeakPolarHBondContact O-CB 3.04Å; L4650-I4654 WeakPolarHBondContact O-CD1 3.4Å; L4650-I4654 WeakPolarHBondContact O-CG1 3.42Å; L4650-I4654 PolarHBondContact O-N 3.46Å; N4651-I4654 PolarHBondContact O-N 3.13Å; N4651-I4654 VanDerWaalsContact O-N 3.14Å; E4652-I4654 PolarHBondContact O-N 2.92Å; I4654-R4657 PolarHBondContact O-N 2.99Å; I4654-R4658 WeakPolarHBondContact O-CB 3.38Å; I4654-R4658 VanDerWaalsContact O-CG 3.32Å; I4654-R4658 WeakPolarHBondContact O-CG 3.19Å; I4654-R4658 PolarHBondContact O-N 2.97Å |
| 4655 | E | 48.2 | Very low | 46.7 | Very low | 92 Ų | 92 | 94 Ų | 94 | 43% | 0.43 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 175 | -79.2 | -76.7 | 119.1 | 0 | 0 | 111.5 | N4651 E4652 R4657 R4658 A4659 L4671 | N4651-E4655 WeakPolarHBondContact O-CB 3.46Å; N4651-E4655 WeakPolarHBondContact O-CG 3.18Å; N4651-E4655 PolarHBondContact O-N 3.28Å; E4652-E4655 PolarHBondContact O-N 3.03Å; E4655-R4657 VanDerWaalsContact C-N 3.33Å; E4655-R4657 PolarHBondContact O-N 3.5Å; E4655-R4658 PolarHBondContact O-N 2.93Å; E4655-R4658 IonicContact OE1-NH1 3.85Å; E4655-A4659 PolarHBondContact O-N 3.44Å; E4655-L4671 HydrophobicContact CB-CD2 4.03Å |
| 4656 | I | 51.9 | Low | 46.8 | Very low | 33 Ų | 33 | 90.8 Ų | 90.8 | 17% | 0.169 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -57.6 | -46.7 | 172.4 | -67.9 | 161.8 | 0 | 0 | 0 | 110.4 | E4652 R4658 A4659 I4660 L4671 I4673 | E4652-I4656 HydrophobicContact CG-CD1 4.17Å; E4652-I4656 WeakPolarHBondContact O-CB 3.22Å; E4652-I4656 WeakPolarHBondContact O-CD1 3.33Å; E4652-I4656 WeakPolarHBondContact O-CG1 3.37Å; E4652-I4656 PolarHBondContact O-N 3.43Å; I4656-R4658 PolarHBondContact O-N 2.74Å; I4656-A4659 PolarHBondContact O-N 2.97Å; I4656-I4660 HydrophobicContact CG2-CD1 3.7Å; I4656-I4660 HydrophobicContact CG2-CG1 4.49Å; I4656-I4660 VanDerWaalsContact O-CG1 3.27Å; I4656-I4660 WeakPolarHBondContact O-CG1 3.44Å; I4656-I4660 PolarHBondContact O-N 2.87Å; I4656-L4671 HydrophobicContact CB-CD1 4.42Å; I4656-L4671 HydrophobicContact CG1-CD1 3.89Å; I4656-I4673 HydrophobicContact CD1-CD1 3.49Å; I4656-I4673 VanDerWaalsContact CD1-CD1 3.49Å; I4656-I4673 HydrophobicContact CG1-CD1 3.64Å |
| 4657 | R | 45.7 | Very low | 46.8 | Very low | 115 Ų | 115 | 90.6 Ų | 90.6 | 43% | 0.434 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 178.3 | -171.9 | 176.2 | -179.9 | -178.5 | 3.2 | 112 | L4653 I4654 E4655 I4660 V4661 | L4653-R4657 WeakPolarHBondContact O-CB 3.48Å; L4653-R4657 PolarHBondContact O-N 3.42Å; I4654-R4657 PolarHBondContact O-N 2.99Å; E4655-R4657 VanDerWaalsContact C-N 3.33Å; E4655-R4657 PolarHBondContact O-N 3.5Å; R4657-I4660 PolarHBondContact O-N 3.21Å; R4657-V4661 HydrophobicContact CG-CG2 4.49Å; R4657-V4661 WeakPolarHBondContact O-CB 3.06Å; R4657-V4661 VanDerWaalsContact O-CG2 3.24Å; R4657-V4661 WeakPolarHBondContact O-CG2 3.29Å; R4657-V4661 PolarHBondContact O-N 3.3Å |
| 4658 | R | 44.2 | Very low | 46.8 | Very low | 133 Ų | 133 | 86.9 Ų | 86.9 | 50% | 0.502 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.9 | -48.2 | 173.4 | -77.8 | 174.3 | 174.5 | -168.4 | -2.9 | 111.6 | I4654 E4655 I4656 I4660 V4661 A4662 | I4654-R4658 WeakPolarHBondContact O-CB 3.38Å; I4654-R4658 VanDerWaalsContact O-CG 3.32Å; I4654-R4658 WeakPolarHBondContact O-CG 3.19Å; I4654-R4658 PolarHBondContact O-N 2.97Å; E4655-R4658 PolarHBondContact O-N 2.93Å; E4655-R4658 IonicContact OE1-NH1 3.85Å; I4656-R4658 PolarHBondContact O-N 2.74Å; R4658-I4660 VanDerWaalsContact C-N 3.32Å; R4658-I4660 PolarHBondContact O-N 3.27Å; R4658-V4661 PolarHBondContact O-N 3.3Å; R4658-A4662 WeakPolarHBondContact O-CB 3.35Å; R4658-A4662 PolarHBondContact O-N 2.91Å |
| 4659 | A | 45.3 | Very low | 46.7 | Very low | 7 Ų | 7 | 90.6 Ų | 90.6 | 6% | 0.058 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -62.7 | -35.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E4655 I4656 E4667 L4668 L4671 | E4655-A4659 PolarHBondContact O-N 3.44Å; I4656-A4659 PolarHBondContact O-N 2.97Å; A4659-E4667 HydrophobicContact CB-CB 3.72Å; A4659-L4668 HydrophobicContact CB-CD2 4.36Å; A4659-L4671 HydrophobicContact CB-CD1 4.01Å |
| 4660 | I | 50.1 | Low | 46.5 | Very low | 82 Ų | 82 | 87 Ų | 87 | 42% | 0.421 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -71.6 | -46.3 | 175.9 | -68.1 | 169 | 0 | 0 | 0 | 111 | I4656 R4657 R4658 A4662 G4663 L4668 | I4656-I4660 HydrophobicContact CG2-CD1 3.7Å; I4656-I4660 HydrophobicContact CG2-CG1 4.49Å; I4656-I4660 VanDerWaalsContact O-CG1 3.27Å; I4656-I4660 WeakPolarHBondContact O-CG1 3.44Å; I4656-I4660 PolarHBondContact O-N 2.87Å; R4657-I4660 PolarHBondContact O-N 3.21Å; R4658-I4660 VanDerWaalsContact C-N 3.32Å; R4658-I4660 PolarHBondContact O-N 3.27Å; I4660-A4662 VanDerWaalsContact C-N 3.3Å; I4660-A4662 PolarHBondContact O-N 3.46Å; I4660-G4663 PolarHBondContact O-N 3.03Å; I4660-L4668 HydrophobicContact CG1-CD2 4.03Å |
| 4661 | V | 46.5 | Very low | 46.1 | Very low | 109 Ų | 109 | 85 Ų | 85 | 66% | 0.661 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -66.2 | -31.4 | 179.4 | 171 | 0 | 0 | 0 | 0 | 112.1 | R4657 R4658 G4663 | R4657-V4661 HydrophobicContact CG-CG2 4.49Å; R4657-V4661 WeakPolarHBondContact O-CB 3.06Å; R4657-V4661 VanDerWaalsContact O-CG2 3.24Å; R4657-V4661 WeakPolarHBondContact O-CG2 3.29Å; R4657-V4661 PolarHBondContact O-N 3.3Å; R4658-V4661 PolarHBondContact O-N 3.3Å; V4661-G4663 PolarHBondContact O-N 3.26Å |
| 4662 | A | 43.6 | Very low | 45.6 | Very low | 64 Ų | 64 | 83.2 Ų | 83.2 | 53% | 0.529 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -7.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R4658 I4660 S4664 E4667 | R4658-A4662 WeakPolarHBondContact O-CB 3.35Å; R4658-A4662 PolarHBondContact O-N 2.91Å; I4660-A4662 VanDerWaalsContact C-N 3.3Å; I4660-A4662 PolarHBondContact O-N 3.46Å; A4662-S4664 PolarHBondContact O-N 2.95Å; A4662-E4667 WeakPolarHBondContact CB-OE2 3.38Å |
| 4663 | G | 36.7 | Very low | 45.2 | Very low | 70 Ų | 70 | 82.4 Ų | 82.4 | 72% | 0.722 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 14.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115 | I4660 V4661 | I4660-G4663 PolarHBondContact O-N 3.03Å; V4661-G4663 PolarHBondContact O-N 3.26Å |
| 4664 | S | 43.4 | Very low | 44.3 | Very low | 39 Ų | 39 | 84.1 Ų | 84.1 | 27% | 0.273 | 43% | 0.425 | S | S | . | . | trans | -103.8 | 110.8 | -172.2 | 108.2 | 0 | 0 | 0 | 0 | 112.1 | A4662 E4666 E4667 | A4662-S4664 PolarHBondContact O-N 2.95Å; S4664-E4666 PolarHBondContact O-N 3.37Å; S4664-E4667 WeakPolarHBondContact CB-OE2 2.98Å; S4664-E4667 PolarHBondContact O-N 2.82Å; S4664-E4667 WeakPolarHBondContact OG-CB 3.48Å; S4664-E4667 WeakPolarHBondContact OG-CG 3.29Å; S4664-E4667 PolarHBondContact OG-N 3.21Å; S4664-E4667 PolarHBondContact OG-OE2 3.29Å | ||
| 4665 | R | 41.7 | Very low | 43.2 | Very low | 210 Ų | 210 | 86.6 Ų | 86.6 | 79% | 0.792 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -15.9 | 174.7 | -168 | 175.8 | -177 | 176.2 | 2.7 | 112.8 | ||
| 4666 | E | 45.4 | Very low | 42.2 | Very low | 54 Ų | 54 | 87.3 Ų | 87.3 | 25% | 0.252 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -27.2 | -179.7 | -134.8 | 83 | 132.9 | 0 | 0 | 112.5 | S4664 R4669 R4670 R4727 | S4664-E4666 PolarHBondContact O-N 3.37Å; E4666-R4669 WeakPolarHBondContact O-CB 3.46Å; E4666-R4669 PolarHBondContact O-N 2.89Å; E4666-R4669 IonicContact OE2-NH1 2.72Å; E4666-R4669 PolarHBondContact OE2-NH1 3.1Å; E4666-R4670 PolarHBondContact O-N 2.86Å; E4666-R4727 IonicContact OE1-CZ 2.74Å; E4666-R4727 VanDerWaalsContact OE1-CZ 3.27Å; E4666-R4727 IonicContact OE1-NE 2.8Å; E4666-R4727 PolarHBondContact OE1-NE 2.92Å; E4666-R4727 IonicContact OE1-NH2 2.97Å; E4666-R4727 PolarHBondContact OE1-NH2 2.72Å |
| 4667 | E | 44.3 | Very low | 41.1 | Very low | 61 Ų | 61 | 93.3 Ų | 93.3 | 29% | 0.285 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -35.7 | 175.2 | -77.2 | 165.5 | 143.7 | 0 | 0 | 112.7 | A4659 A4662 S4664 R4669 R4670 L4671 | A4659-E4667 HydrophobicContact CB-CB 3.72Å; A4662-E4667 WeakPolarHBondContact CB-OE2 3.38Å; S4664-E4667 WeakPolarHBondContact CB-OE2 2.98Å; S4664-E4667 PolarHBondContact O-N 2.82Å; S4664-E4667 WeakPolarHBondContact OG-CB 3.48Å; S4664-E4667 WeakPolarHBondContact OG-CG 3.29Å; S4664-E4667 PolarHBondContact OG-N 3.21Å; S4664-E4667 PolarHBondContact OG-OE2 3.29Å; E4667-R4669 PolarHBondContact O-N 2.83Å; E4667-R4669 VanDerWaalsContact O-N 3.14Å; E4667-R4670 WeakPolarHBondContact O-CA 3.39Å; E4667-R4670 VanDerWaalsContact O-CB 3.29Å; E4667-R4670 WeakPolarHBondContact O-CB 3.28Å; E4667-R4670 PolarHBondContact O-N 3.45Å; E4667-L4671 PolarHBondContact O-N 2.98Å |
| 4668 | L | 43 | Very low | 40.3 | Very low | 57 Ų | 57 | 93 Ų | 93 | 30% | 0.298 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -25.5 | 169.4 | -72 | 172 | 0 | 0 | 0 | 112.8 | A4659 I4660 | A4659-L4668 HydrophobicContact CB-CD2 4.36Å; I4660-L4668 HydrophobicContact CG1-CD2 4.03Å |
| 4669 | R | 45.5 | Very low | 39.5 | Very low | 169 Ų | 169 | 93.1 Ų | 93.1 | 64% | 0.638 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -19.9 | 170.7 | -78.9 | 176.7 | 164.6 | 169.6 | -7.8 | 114 | E4666 E4667 | E4666-R4669 WeakPolarHBondContact O-CB 3.46Å; E4666-R4669 PolarHBondContact O-N 2.89Å; E4666-R4669 IonicContact OE2-NH1 2.72Å; E4666-R4669 PolarHBondContact OE2-NH1 3.1Å; E4667-R4669 PolarHBondContact O-N 2.83Å; E4667-R4669 VanDerWaalsContact O-N 3.14Å |
| 4670 | R | 44 | Very low | 38.7 | Very low | 97 Ų | 97 | 96.4 Ų | 96.4 | 37% | 0.366 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -35.2 | 176.6 | -64.7 | 170.6 | -172.4 | -145.9 | -37.9 | 112.1 | E4666 E4667 G4672 D4730 | E4666-R4670 PolarHBondContact O-N 2.86Å; E4667-R4670 WeakPolarHBondContact O-CA 3.39Å; E4667-R4670 VanDerWaalsContact O-CB 3.29Å; E4667-R4670 WeakPolarHBondContact O-CB 3.28Å; E4667-R4670 PolarHBondContact O-N 3.45Å; R4670-G4672 PolarHBondContact O-N 3.43Å; R4670-D4730 IonicContact CZ-OD1 3.93Å; R4670-D4730 IonicContact CZ-OD2 2.7Å; R4670-D4730 IonicContact NH1-OD1 3.82Å; R4670-D4730 PolarHBondContact NH1-OD1 2.84Å; R4670-D4730 IonicContact NH1-OD2 2.82Å; R4670-D4730 VanDerWaalsContact NH2-CB 3.33Å; R4670-D4730 IonicContact NH2-OD1 2.78Å; R4670-D4730 PolarHBondContact NH2-OD1 3.24Å; R4670-D4730 IonicContact NH2-OD2 3.16Å; R4670-D4730 PolarHBondContact NH2-OD2 2.82Å |
| 4671 | L | 41 | Very low | 37.5 | Very low | 52 Ų | 52 | 103.5 Ų | 103.5 | 27% | 0.272 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -73.3 | -3.1 | -177.4 | -63.4 | 170.8 | 0 | 0 | 0 | 113.9 | E4655 I4656 A4659 E4667 I4673 | E4655-L4671 HydrophobicContact CB-CD2 4.03Å; I4656-L4671 HydrophobicContact CB-CD1 4.42Å; I4656-L4671 HydrophobicContact CG1-CD1 3.89Å; A4659-L4671 HydrophobicContact CB-CD1 4.01Å; E4667-L4671 PolarHBondContact O-N 2.98Å; L4671-I4673 HydrophobicContact CB-CD1 4.02Å; L4671-I4673 HydrophobicContact CB-CG1 4.43Å; L4671-I4673 PolarHBondContact O-N 3.06Å; L4671-I4673 VanDerWaalsContact O-N 3.1Å |
| 4672 | G | 39.5 | Very low | 36.8 | Very low | 46 Ų | 46 | 108.1 Ų | 108.1 | 47% | 0.474 | 58% | 0.577 | S | S | . | * | trans | 73.4 | -1.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | R4670 H4674 S4675 | R4670-G4672 PolarHBondContact O-N 3.43Å; G4672-H4674 PolarHBondContact O-N 3.23Å; G4672-H4674 VanDerWaalsContact O-N 3.16Å; G4672-S4675 PolarHBondContact O-N 2.95Å | ||
| 4673 | I | 42 | Very low | 36 | Very low | 88 Ų | 88 | 114 Ų | 114 | 45% | 0.451 | 59% | 0.59 | S | S | . | * | trans | -70.6 | -9.9 | -173.3 | -65.8 | 162.4 | 0 | 0 | 0 | 113.3 | I4656 L4671 | I4656-I4673 HydrophobicContact CD1-CD1 3.49Å; I4656-I4673 VanDerWaalsContact CD1-CD1 3.49Å; I4656-I4673 HydrophobicContact CG1-CD1 3.64Å; L4671-I4673 HydrophobicContact CB-CD1 4.02Å; L4671-I4673 HydrophobicContact CB-CG1 4.43Å; L4671-I4673 PolarHBondContact O-N 3.06Å; L4671-I4673 VanDerWaalsContact O-N 3.1Å | ||
| 4674 | H | 34.2 | Very low | 35.7 | Very low | 125 Ų | 125 | 116.6 Ų | 116.6 | 58% | 0.579 | 60% | 0.595 | S | S | * | * | trans | -106.9 | 60 | 168.1 | -70 | -51.2 | 0 | 0 | 0 | 112.7 | G4672 S4676 | G4672-H4674 PolarHBondContact O-N 3.23Å; G4672-H4674 VanDerWaalsContact O-N 3.16Å; H4674-S4676 PolarHBondContact O-N 3.01Å | ||
| 4675 | S | 30.2 | Very low | 35 | Very low | 116 Ų | 116 | 123.2 Ų | 123.2 | 81% | 0.811 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 56 | 176.2 | 49.6 | 0 | 0 | 0 | 0 | 113.5 | G4672 | G4672-S4675 PolarHBondContact O-N 2.95Š|
| 4676 | S | 28.5 | Very low | 34.4 | Very low | 107 Ų | 107 | 117.2 Ų | 117.2 | 75% | 0.748 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.8 | 22.2 | 172.7 | 61.9 | 0 | 0 | 0 | 0 | 116.2 | H4674 | H4674-S4676 PolarHBondContact O-N 3.01Š|
| 4677 | L | 27.8 | Very low | 33.6 | Very low | 159 Ų | 159 | 122 Ų | 122 | 83% | 0.832 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -127.4 | 124 | 164.6 | -75.2 | 173.9 | 0 | 0 | 0 | 110.9 | ||
| 4678 | S | 29.4 | Very low | 33 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 76% | 0.762 | 66% | 0.66 | S | S | * | * | trans | -63.7 | 152.4 | 178.3 | 47.1 | 0 | 0 | 0 | 0 | 111.8 | P4680 | S4678-P4680 VanDerWaalsContact O-CD 3.26Å; S4678-P4680 WeakPolarHBondContact O-CD 3.2Å | ||
| 4679 | V | 27.3 | Very low | 32.3 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 81% | 0.812 | 69% | 0.686 | S | S | * | * | trans | -81.8 | 125.2 | 173 | 176.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 4680 | P | 27.7 | Very low | 31.7 | Very low | 77 Ų | 77 | 129.1 Ų | 129.1 | 50% | 0.5 | 68% | 0.68 | S | S | . | * | trans | -116.6 | 141.3 | 143.8 | -1.8 | 23.7 | 0 | 0 | 0 | 110.6 | S4678 Y4682 | S4678-P4680 VanDerWaalsContact O-CD 3.26Å; S4678-P4680 WeakPolarHBondContact O-CD 3.2Å; P4680-Y4682 HydrophobicContact CB-CD2 4.16Å; P4680-Y4682 HydrophobicContact CB-CE2 3.75Å; P4680-Y4682 HydrophobicContact CG-CE2 3.87Å; P4680-Y4682 PolarHBondContact O-N 2.94Å | ||
| 4681 | Y | 26.4 | Very low | 31 | Very low | 230 Ų | 230 | 131.5 Ų | 131.5 | 90% | 0.902 | 69% | 0.689 | S | S | * | * | trans | -57.7 | 124.1 | 163.9 | -84.8 | -105.2 | 0 | 0 | 0 | 109.8 | ||||
| 4682 | Y | 30.7 | Very low | 30.5 | Very low | 207 Ų | 207 | 134.7 Ų | 134.7 | 81% | 0.812 | 71% | 0.706 | S | S | * | * | trans | -121.8 | 142.9 | 167 | -82.1 | -73.9 | 0 | 0 | 0 | 111.5 | P4680 | P4680-Y4682 HydrophobicContact CB-CD2 4.16Å; P4680-Y4682 HydrophobicContact CB-CE2 3.75Å; P4680-Y4682 HydrophobicContact CG-CE2 3.87Å; P4680-Y4682 PolarHBondContact O-N 2.94Å | ||
| 4683 | K | 28.2 | Very low | 30.2 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 81% | 0.809 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 162.1 | -173.3 | -78.8 | 175.1 | 174.5 | 177.4 | 0 | 113.4 | F4685 | K4683-F4685 PolarHBondContact O-N 3.46Š|
| 4684 | P | 29.8 | Very low | 29.5 | Very low | 126 Ų | 126 | 145 Ų | 145 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 134.7 | 171.2 | 23.3 | -35.5 | 0 | 0 | 0 | 111 | A4686 | P4684-A4686 PolarHBondContact O-N 3.11Š|
| 4685 | F | 28.2 | Very low | 29.4 | Very low | 177 Ų | 177 | 144.2 Ų | 144.2 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 125.6 | 175.1 | -102.3 | -98.1 | 0 | 0 | 0 | 109.9 | K4683 L4687 | K4683-F4685 PolarHBondContact O-N 3.46Å; F4685-L4687 PolarHBondContact O-N 3.38Å |
| 4686 | A | 29.8 | Very low | 29.3 | Very low | 84 Ų | 84 | 147.4 Ų | 147.4 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -65 | 133.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | P4684 I4688 | P4684-A4686 PolarHBondContact O-N 3.11Å; A4686-I4688 PolarHBondContact O-N 3.43Å |
| 4687 | L | 27.6 | Very low | 29.2 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | -54.3 | 113 | 174.4 | -80.4 | 161.8 | 0 | 0 | 0 | 109.8 | F4685 R4689 | F4685-L4687 PolarHBondContact O-N 3.38Å; L4687-R4689 VanDerWaalsContact C-N 3.33Å; L4687-R4689 PolarHBondContact O-N 3.27Å | ||
| 4688 | I | 32.5 | Very low | 29.4 | Very low | 134 Ų | 134 | 146.2 Ų | 146.2 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | trans | -69.1 | 94.2 | 174 | -57.1 | 175.7 | 0 | 0 | 0 | 107.4 | A4686 P4690 | A4686-I4688 PolarHBondContact O-N 3.43Å; I4688-P4690 WeakPolarHBondContact O-CD 3.46Å | ||
| 4689 | R | 28.1 | Very low | 29.3 | Very low | 223 Ų | 223 | 149.4 Ų | 149.4 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -71 | 124.4 | 160.9 | -67.2 | -174.3 | -176.1 | 178.2 | 3 | 107.2 | L4687 R4691 | L4687-R4689 VanDerWaalsContact C-N 3.33Å; L4687-R4689 PolarHBondContact O-N 3.27Å; R4689-R4691 PolarHBondContact O-N 2.97Å |
| 4690 | P | 32.4 | Very low | 29.3 | Very low | 79 Ų | 79 | 146.1 Ų | 146.1 | 51% | 0.513 | 76% | 0.759 | S | S | . | * | P | Polyproline II helix | trans | -58 | 126.9 | 167 | -20.4 | 32.3 | 0 | 0 | 0 | 108.8 | I4688 | I4688-P4690 WeakPolarHBondContact O-CD 3.46Š|
| 4691 | R | 30.7 | Very low | 29.4 | Very low | 147 Ų | 147 | 148 Ų | 148 | 56% | 0.555 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 138.9 | 176 | -158.7 | 171.8 | -176.8 | 147.3 | 10.2 | 108.3 | D4578 R4689 N4693 | D4578-R4691 IonicContact OD1-CZ 3.82Å; D4578-R4691 VanDerWaalsContact OD1-CZ 3.27Å; D4578-R4691 IonicContact OD1-NH1 3.01Å; D4578-R4691 PolarHBondContact OD1-NH1 3.41Å; D4578-R4691 IonicContact OD1-NH2 3.97Å; D4578-R4691 PolarHBondContact OD1-NH2 3.41Å; D4578-R4691 IonicContact OD2-CZ 3.47Å; D4578-R4691 IonicContact OD2-NH2 3.14Å; D4578-R4691 PolarHBondContact OD2-NH2 3.29Å; R4689-R4691 PolarHBondContact O-N 2.97Å; R4691-N4693 PolarHBondContact O-N 3.12Å |
| 4692 | D | 29.9 | Very low | 29.7 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | -67.5 | 102 | 179.5 | -72.9 | -48.2 | 0 | 0 | 0 | 110.5 | K4694 R4713 | D4692-K4694 VanDerWaalsContact C-N 3.27Å; D4692-K4694 PolarHBondContact O-N 3.27Å; D4692-R4713 IonicContact OD1-NH2 3.41Å; D4692-R4713 PolarHBondContact OD1-NH2 2.88Å | ||
| 4693 | N | 33 | Very low | 30.1 | Very low | 155 Ų | 155 | 137.2 Ų | 137.2 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | -69.9 | 86.4 | 168.1 | -79.7 | 0 | 0 | 0 | 0 | 109.2 | R4691 S4695 | R4691-N4693 PolarHBondContact O-N 3.12Å; N4693-S4695 PolarHBondContact O-N 3.16Å | ||
| 4694 | K | 27.6 | Very low | 30.6 | Very low | 196 Ų | 196 | 134.4 Ų | 134.4 | 85% | 0.852 | 74% | 0.743 | S | S | * | * | trans | -67.3 | 106 | 160.7 | -70.8 | 179.5 | 177.1 | 179.1 | 0 | 107.9 | D4692 L4696 | D4692-K4694 VanDerWaalsContact C-N 3.27Å; D4692-K4694 PolarHBondContact O-N 3.27Å; K4694-L4696 PolarHBondContact O-N 3.29Å | ||
| 4695 | S | 30.9 | Very low | 31.1 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 123.4 | 169.1 | 41 | 0 | 0 | 0 | 0 | 109.5 | N4693 G4697 | N4693-S4695 PolarHBondContact O-N 3.16Å; S4695-G4697 PolarHBondContact O-N 2.88Å |
| 4696 | L | 28.9 | Very low | 31.5 | Very low | 183 Ų | 183 | 133.6 Ų | 133.6 | 96% | 0.958 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 117.3 | 165.3 | -149 | 82.4 | 0 | 0 | 0 | 106.4 | K4694 | K4694-L4696 PolarHBondContact O-N 3.29Š|
| 4697 | G | 25.7 | Very low | 31.8 | Very low | 66 Ų | 66 | 138.3 Ų | 138.3 | 68% | 0.68 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 154.5 | -157.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | S4695 | S4695-G4697 PolarHBondContact O-N 2.88Š|
| 4698 | L | 32.2 | Very low | 32.5 | Very low | 176 Ų | 176 | 136.1 Ų | 136.1 | 92% | 0.921 | 72% | 0.72 | S | S | * | * | trans | -134.9 | 150.6 | 144.8 | -108.8 | 131 | 0 | 0 | 0 | 108.6 | ||||
| 4699 | L | 27.5 | Very low | 32.9 | Very low | 175 Ų | 175 | 133.3 Ų | 133.3 | 92% | 0.916 | 71% | 0.709 | S | S | * | * | trans | -70.9 | 142.8 | -161.2 | -86.6 | 62.4 | 0 | 0 | 0 | 114.3 | ||||
| 4700 | G | 28.6 | Very low | 33.6 | Very low | 66 Ų | 66 | 125.3 Ų | 125.3 | 68% | 0.68 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 127.2 | 109.4 | 141.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 4701 | S | 29 | Very low | 34.3 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | trans | 48.4 | 103.2 | 169.9 | 60.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 4702 | D | 32.7 | Very low | 34.9 | Very low | 114 Ų | 114 | 124 Ų | 124 | 61% | 0.61 | 68% | 0.683 | S | S | * | * | trans | -162.6 | 120.6 | 137.6 | -108.2 | -37.5 | 0 | 0 | 0 | 113.4 | H4704 E4705 | D4702-H4704 IonicContact OD1-CD2 3.64Å; D4702-E4705 HydrophobicContact CB-CG 4.4Å | ||
| 4703 | S | 39.5 | Very low | 35.5 | Very low | 97 Ų | 97 | 123.6 Ų | 123.6 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -94.7 | 3.3 | 162.7 | 53 | 0 | 0 | 0 | 0 | 112.1 | ||
| 4704 | H | 37.9 | Very low | 36.2 | Very low | 127 Ų | 127 | 118.1 Ų | 118.1 | 59% | 0.588 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -91.5 | -29.2 | -175.6 | -76 | -69.3 | 0 | 0 | 0 | 114 | D4702 E4706 W4707 L4708 | D4702-H4704 IonicContact OD1-CD2 3.64Å; H4704-E4706 PolarHBondContact O-N 3.14Å; H4704-W4707 PolarHBondContact O-N 3.45Å; H4704-L4708 PolarHBondContact O-N 3.28Å |
| 4705 | E | 39.6 | Very low | 37.2 | Very low | 128 Ų | 128 | 113.2 Ų | 113.2 | 60% | 0.598 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.5 | -34.4 | -179.4 | -68.3 | -158.3 | 136 | 0 | 0 | 113.7 | D4702 W4707 T4709 | D4702-E4705 HydrophobicContact CB-CG 4.4Å; E4705-W4707 VanDerWaalsContact C-N 3.28Å; E4705-W4707 PolarHBondContact O-N 2.64Å; E4705-T4709 WeakPolarHBondContact O-CB 3.49Å; E4705-T4709 WeakPolarHBondContact O-CG2 3.26Å; E4705-T4709 PolarHBondContact O-N 2.88Å; E4705-T4709 PolarHBondContact O-OG1 3.42Å |
| 4706 | E | 36.5 | Very low | 37.9 | Very low | 159 Ų | 159 | 111.4 Ų | 111.4 | 74% | 0.743 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.7 | -33.8 | 176.3 | -76 | -165.3 | 134.7 | 0 | 0 | 112.3 | H4704 T4709 S4710 | H4704-E4706 PolarHBondContact O-N 3.14Å; E4706-T4709 PolarHBondContact O-OG1 2.93Å; E4706-S4710 WeakPolarHBondContact O-CB 2.99Å; E4706-S4710 PolarHBondContact O-N 3.46Å; E4706-S4710 VanDerWaalsContact O-N 3.15Å |
| 4707 | W | 37.9 | Very low | 38.7 | Very low | 182 Ų | 182 | 110.7 Ų | 110.7 | 69% | 0.689 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -72.8 | -47.2 | 178.8 | -116.3 | 57 | 0 | 0 | 0 | 111.8 | H4704 E4705 T4709 S4710 N4711 | H4704-W4707 PolarHBondContact O-N 3.45Å; E4705-W4707 VanDerWaalsContact C-N 3.28Å; E4705-W4707 PolarHBondContact O-N 2.64Å; W4707-T4709 PolarHBondContact O-N 2.92Å; W4707-S4710 PolarHBondContact O-N 3.31Å; W4707-S4710 PolarHBondContact O-OG 2.93Å; W4707-N4711 PolarHBondContact O-N 3.49Å |
| 4708 | L | 41.4 | Very low | 39.8 | Very low | 110 Ų | 110 | 115.2 Ų | 115.2 | 58% | 0.576 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.9 | -47.1 | 177.7 | -76 | 165.6 | 0 | 0 | 0 | 111.7 | H4704 S4710 N4711 Q4712 | H4704-L4708 PolarHBondContact O-N 3.28Å; L4708-S4710 VanDerWaalsContact C-N 3.32Å; L4708-S4710 PolarHBondContact O-N 2.89Å; L4708-N4711 PolarHBondContact O-N 3.34Å; L4708-Q4712 PolarHBondContact O-N 2.94Å |
| 4709 | T | 39.9 | Very low | 40.5 | Very low | 75 Ų | 75 | 115.1 Ų | 115.1 | 46% | 0.46 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.7 | -31.1 | 178.4 | 52.9 | 0 | 0 | 0 | 0 | 113.3 | E4705 E4706 W4707 R4713 | E4705-T4709 WeakPolarHBondContact O-CB 3.49Å; E4705-T4709 WeakPolarHBondContact O-CG2 3.26Å; E4705-T4709 PolarHBondContact O-N 2.88Å; E4705-T4709 PolarHBondContact O-OG1 3.42Å; E4706-T4709 PolarHBondContact O-OG1 2.93Å; W4707-T4709 PolarHBondContact O-N 2.92Å; T4709-R4713 WeakPolarHBondContact O-CB 3.24Å; T4709-R4713 WeakPolarHBondContact O-CD 3.32Å; T4709-R4713 VanDerWaalsContact O-CG 3.23Å; T4709-R4713 WeakPolarHBondContact O-CG 3.48Å; T4709-R4713 PolarHBondContact O-N 3.39Å |
| 4710 | S | 44 | Very low | 41.2 | Very low | 54 Ų | 54 | 111.2 Ų | 111.2 | 38% | 0.378 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.8 | -42.1 | 172.8 | 81.5 | 0 | 0 | 0 | 0 | 112.5 | E4706 W4707 L4708 R4713 S4714 | E4706-S4710 WeakPolarHBondContact O-CB 2.99Å; E4706-S4710 PolarHBondContact O-N 3.46Å; E4706-S4710 VanDerWaalsContact O-N 3.15Å; W4707-S4710 PolarHBondContact O-N 3.31Å; W4707-S4710 PolarHBondContact O-OG 2.93Å; L4708-S4710 VanDerWaalsContact C-N 3.32Å; L4708-S4710 PolarHBondContact O-N 2.89Å; S4710-R4713 PolarHBondContact O-N 3.38Å; S4710-S4714 PolarHBondContact O-N 2.96Å |
| 4711 | N | 46.5 | Very low | 42 | Very low | 79 Ų | 79 | 114.6 Ų | 114.6 | 42% | 0.422 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68 | -44.7 | 178.7 | -85.8 | -18 | 0 | 0 | 0 | 111.3 | W4707 L4708 R4713 S4714 I4715 | W4707-N4711 PolarHBondContact O-N 3.49Å; L4708-N4711 PolarHBondContact O-N 3.34Å; N4711-R4713 VanDerWaalsContact C-N 3.33Å; N4711-R4713 PolarHBondContact O-N 3.31Å; N4711-S4714 WeakPolarHBondContact O-CA 3.47Å; N4711-S4714 WeakPolarHBondContact O-CB 3.42Å; N4711-S4714 PolarHBondContact O-N 3.08Å; N4711-S4714 PolarHBondContact O-OG 2.96Å; N4711-I4715 WeakPolarHBondContact O-CG1 3.18Å; N4711-I4715 PolarHBondContact O-N 3.27Å |
| 4712 | Q | 44 | Very low | 42.8 | Very low | 121 Ų | 121 | 112.8 Ų | 112.8 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -54.2 | -49.2 | 173.6 | -142.3 | 94.7 | 8.7 | 0 | 0 | 111.2 | L4708 S4714 I4715 D4716 | L4708-Q4712 PolarHBondContact O-N 2.94Å; Q4712-S4714 PolarHBondContact O-N 2.86Å; Q4712-I4715 PolarHBondContact O-N 2.72Å; Q4712-D4716 PolarHBondContact O-N 3.42Å |
| 4713 | R | 43.1 | Very low | 43.4 | Very low | 110 Ų | 110 | 110.5 Ų | 110.5 | 42% | 0.415 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.5 | -29.7 | 176.3 | -76.8 | 169.9 | 165.9 | -172 | -9.3 | 112.9 | D4692 T4709 S4710 N4711 R4717 | D4692-R4713 IonicContact OD1-NH2 3.41Å; D4692-R4713 PolarHBondContact OD1-NH2 2.88Å; T4709-R4713 WeakPolarHBondContact O-CB 3.24Å; T4709-R4713 WeakPolarHBondContact O-CD 3.32Å; T4709-R4713 VanDerWaalsContact O-CG 3.23Å; T4709-R4713 WeakPolarHBondContact O-CG 3.48Å; T4709-R4713 PolarHBondContact O-N 3.39Å; S4710-R4713 PolarHBondContact O-N 3.38Å; N4711-R4713 VanDerWaalsContact C-N 3.33Å; N4711-R4713 PolarHBondContact O-N 3.31Å; R4713-R4717 WeakPolarHBondContact O-CB 3.15Å; R4713-R4717 WeakPolarHBondContact O-CD 3.43Å; R4713-R4717 WeakPolarHBondContact O-CG 3.46Å; R4713-R4717 PolarHBondContact O-N 3.3Å |
| 4714 | S | 46.8 | Very low | 43.6 | Very low | 40 Ų | 40 | 111.2 Ų | 111.2 | 28% | 0.28 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -77 | -40.9 | 175.9 | 85.8 | 0 | 0 | 0 | 0 | 112.4 | S4710 N4711 Q4712 R4717 R4718 | S4710-S4714 PolarHBondContact O-N 2.96Å; N4711-S4714 WeakPolarHBondContact O-CA 3.47Å; N4711-S4714 WeakPolarHBondContact O-CB 3.42Å; N4711-S4714 PolarHBondContact O-N 3.08Å; N4711-S4714 PolarHBondContact O-OG 2.96Å; Q4712-S4714 PolarHBondContact O-N 2.86Å; S4714-R4717 PolarHBondContact O-N 2.96Å; S4714-R4718 WeakPolarHBondContact O-CG 3.5Å; S4714-R4718 PolarHBondContact O-N 3.3Å |
| 4715 | I | 47.7 | Very low | 43.8 | Very low | 93 Ų | 93 | 109.2 Ų | 109.2 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.4 | -47.9 | 179.3 | -67.9 | 163.2 | 0 | 0 | 0 | 109.8 | N4711 Q4712 R4717 R4718 R4719 | N4711-I4715 WeakPolarHBondContact O-CG1 3.18Å; N4711-I4715 PolarHBondContact O-N 3.27Å; Q4712-I4715 PolarHBondContact O-N 2.72Å; I4715-R4717 VanDerWaalsContact C-N 3.29Å; I4715-R4717 PolarHBondContact O-N 3.03Å; I4715-R4718 PolarHBondContact O-N 3.14Å; I4715-R4718 VanDerWaalsContact O-N 3.15Å; I4715-R4719 WeakPolarHBondContact O-CB 3.26Å; I4715-R4719 PolarHBondContact O-N 3.45Å |
| 4716 | D | 47.1 | Very low | 44 | Very low | 70 Ų | 70 | 106.7 Ų | 106.7 | 37% | 0.374 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -35 | 177.5 | -72 | -25.7 | 0 | 0 | 0 | 112.2 | Q4712 N4720 | Q4712-D4716 PolarHBondContact O-N 3.42Å; D4716-N4720 WeakPolarHBondContact O-CB 3.44Å; D4716-N4720 VanDerWaalsContact O-CG 3.28Å; D4716-N4720 PolarHBondContact O-N 3.45Å; D4716-N4720 PolarHBondContact O-ND2 3.4Å |
| 4717 | R | 45.3 | Very low | 44.5 | Very low | 168 Ų | 168 | 104.4 Ų | 104.4 | 63% | 0.634 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.4 | -52.3 | 170.7 | -76.9 | 171.5 | -174.4 | 177.2 | 3.2 | 110.9 | R4713 S4714 I4715 R4719 N4720 Y4721 | R4713-R4717 WeakPolarHBondContact O-CB 3.15Å; R4713-R4717 WeakPolarHBondContact O-CD 3.43Å; R4713-R4717 WeakPolarHBondContact O-CG 3.46Å; R4713-R4717 PolarHBondContact O-N 3.3Å; S4714-R4717 PolarHBondContact O-N 2.96Å; I4715-R4717 VanDerWaalsContact C-N 3.29Å; I4715-R4717 PolarHBondContact O-N 3.03Å; R4717-R4719 VanDerWaalsContact C-N 3.3Å; R4717-R4719 PolarHBondContact O-N 2.79Å; R4717-N4720 PolarHBondContact O-N 2.83Å; R4717-Y4721 HydrophobicContact CB-CD2 4.48Å; R4717-Y4721 HydrophobicContact CB-CE2 4.46Å; R4717-Y4721 WeakPolarHBondContact O-CD2 3.45Å; R4717-Y4721 PolarHBondContact O-N 3.21Å |
| 4718 | R | 47.9 | Very low | 44.9 | Very low | 160 Ų | 160 | 96.7 Ų | 96.7 | 60% | 0.604 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -55.2 | -45.6 | 177.7 | -72.1 | 179.7 | -174 | -172.4 | 3.5 | 111.3 | S4714 I4715 N4720 Y4721 T4722 | S4714-R4718 WeakPolarHBondContact O-CG 3.5Å; S4714-R4718 PolarHBondContact O-N 3.3Å; I4715-R4718 PolarHBondContact O-N 3.14Å; I4715-R4718 VanDerWaalsContact O-N 3.15Å; R4718-N4720 PolarHBondContact O-N 2.97Å; R4718-Y4721 PolarHBondContact O-N 2.87Å; R4718-T4722 WeakPolarHBondContact O-CG2 3.48Å; R4718-T4722 PolarHBondContact O-N 3.27Å; R4718-T4722 PolarHBondContact O-OG1 2.99Å |
| 4719 | R | 47.5 | Very low | 45.1 | Very low | 175 Ų | 175 | 99.1 Ų | 99.1 | 66% | 0.66 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.5 | -37.9 | -179.7 | -143.4 | 174.9 | -164.9 | 174.9 | 4.9 | 113.1 | I4715 R4717 T4722 T4723 | I4715-R4719 WeakPolarHBondContact O-CB 3.26Å; I4715-R4719 PolarHBondContact O-N 3.45Å; R4717-R4719 VanDerWaalsContact C-N 3.3Å; R4717-R4719 PolarHBondContact O-N 2.79Å; R4719-T4722 PolarHBondContact O-OG1 2.85Å; R4719-T4722 VanDerWaalsContact O-OG1 3.1Å; R4719-T4723 WeakPolarHBondContact O-CG2 3.35Å; R4719-T4723 PolarHBondContact O-N 3.49Å; R4719-T4723 VanDerWaalsContact O-N 3.16Å; R4719-T4723 PolarHBondContact O-OG1 2.99Å |
| 4720 | N | 42.9 | Very low | 45.5 | Very low | 93 Ų | 93 | 97 Ų | 97 | 50% | 0.497 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.7 | -33 | 173.5 | -74.2 | -44.3 | 0 | 0 | 0 | 112.7 | D4716 R4717 R4718 T4723 H4724 | D4716-N4720 WeakPolarHBondContact O-CB 3.44Å; D4716-N4720 VanDerWaalsContact O-CG 3.28Å; D4716-N4720 PolarHBondContact O-N 3.45Å; D4716-N4720 PolarHBondContact O-ND2 3.4Å; R4717-N4720 PolarHBondContact O-N 2.83Å; R4718-N4720 PolarHBondContact O-N 2.97Å; N4720-T4723 WeakPolarHBondContact CA-OG1 3.33Å; N4720-T4723 PolarHBondContact O-OG1 3.14Å; N4720-T4723 VanDerWaalsContact O-OG1 3.1Å; N4720-H4724 WeakPolarHBondContact O-CB 3.36Å; N4720-H4724 PolarHBondContact O-N 3.43Å; N4720-H4724 VanDerWaalsContact O-N 3.15Å |
| 4721 | Y | 44.7 | Very low | 45.9 | Very low | 137 Ų | 137 | 101.1 Ų | 101.1 | 54% | 0.537 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -74.6 | -38.8 | 174.2 | -76.9 | -64.2 | 0 | 0 | 0 | 113.3 | R4717 R4718 H4724 L4725 | R4717-Y4721 HydrophobicContact CB-CD2 4.48Å; R4717-Y4721 HydrophobicContact CB-CE2 4.46Å; R4717-Y4721 WeakPolarHBondContact O-CD2 3.45Å; R4717-Y4721 PolarHBondContact O-N 3.21Å; R4718-Y4721 PolarHBondContact O-N 2.87Å; Y4721-H4724 PolarHBondContact O-N 3.09Å; Y4721-L4725 PolarHBondContact O-N 3.11Å |
| 4722 | T | 44.9 | Very low | 46.1 | Very low | 76 Ų | 76 | 101.9 Ų | 101.9 | 47% | 0.466 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 175 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | R4718 R4719 H4724 L4725 C4726 | R4718-T4722 WeakPolarHBondContact O-CG2 3.48Å; R4718-T4722 PolarHBondContact O-N 3.27Å; R4718-T4722 PolarHBondContact O-OG1 2.99Å; R4719-T4722 PolarHBondContact O-OG1 2.85Å; R4719-T4722 VanDerWaalsContact O-OG1 3.1Å; T4722-H4724 VanDerWaalsContact C-N 3.3Å; T4722-H4724 PolarHBondContact O-N 2.96Å; T4722-L4725 PolarHBondContact O-N 3.19Å; T4722-C4726 PolarHBondContact O-N 3.47Å; T4722-C4726 PolarHBondContact O-SG 3.39Å; T4722-C4726 VanDerWaalsContact O-SG 3.35Å |
| 4723 | T | 46.2 | Very low | 46.7 | Very low | 67 Ų | 67 | 98.8 Ų | 98.8 | 41% | 0.411 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.6 | -31.5 | 174 | 46.5 | 0 | 0 | 0 | 0 | 113.3 | R4719 N4720 R4727 | R4719-T4723 WeakPolarHBondContact O-CG2 3.35Å; R4719-T4723 PolarHBondContact O-N 3.49Å; R4719-T4723 VanDerWaalsContact O-N 3.16Å; R4719-T4723 PolarHBondContact O-OG1 2.99Å; N4720-T4723 WeakPolarHBondContact CA-OG1 3.33Å; N4720-T4723 PolarHBondContact O-OG1 3.14Å; N4720-T4723 VanDerWaalsContact O-OG1 3.1Å; T4723-R4727 WeakPolarHBondContact O-CB 3.28Å; T4723-R4727 WeakPolarHBondContact O-CG 3.49Å; T4723-R4727 PolarHBondContact O-N 3.05Å; T4723-R4727 VanDerWaalsContact O-N 3.13Å |
| 4724 | H | 42.9 | Very low | 47.2 | Very low | 112 Ų | 112 | 100.6 Ų | 100.6 | 52% | 0.519 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.4 | -44.4 | 170.1 | -171.4 | -71.7 | 0 | 0 | 0 | 112.2 | N4720 Y4721 T4722 R4727 S4728 | N4720-H4724 WeakPolarHBondContact O-CB 3.36Å; N4720-H4724 PolarHBondContact O-N 3.43Å; N4720-H4724 VanDerWaalsContact O-N 3.15Å; Y4721-H4724 PolarHBondContact O-N 3.09Å; T4722-H4724 VanDerWaalsContact C-N 3.3Å; T4722-H4724 PolarHBondContact O-N 2.96Å; H4724-R4727 PolarHBondContact O-N 3.08Å; H4724-S4728 PolarHBondContact O-N 2.89Å |
| 4725 | L | 42.8 | Very low | 47.6 | Very low | 84 Ų | 84 | 100.3 Ų | 100.3 | 44% | 0.44 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66 | -37 | 178.6 | -80 | 161.7 | 0 | 0 | 0 | 113.3 | E4467 Y4721 T4722 S4728 K4729 | E4467-L4725 HydrophobicContact CG-CD2 3.94Å; Y4721-L4725 PolarHBondContact O-N 3.11Å; T4722-L4725 PolarHBondContact O-N 3.19Å; L4725-S4728 PolarHBondContact O-OG 3.11Å; L4725-S4728 VanDerWaalsContact O-OG 3.14Å; L4725-K4729 PolarHBondContact O-N 3.49Å |
| 4726 | C | 44.6 | Very low | 48.3 | Very low | 76 Ų | 76 | 97 Ų | 97 | 51% | 0.514 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.7 | -46.7 | 172 | -67.2 | 0 | 0 | 0 | 0 | 110.6 | T4722 S4728 K4729 D4730 | T4722-C4726 PolarHBondContact O-N 3.47Å; T4722-C4726 PolarHBondContact O-SG 3.39Å; T4722-C4726 VanDerWaalsContact O-SG 3.35Å; C4726-S4728 PolarHBondContact O-N 3.42Å; C4726-K4729 PolarHBondContact O-N 3.13Å; C4726-D4730 WeakPolarHBondContact O-CB 3.46Å; C4726-D4730 PolarHBondContact O-N 2.94Å |
| 4727 | R | 46.7 | Very low | 49.1 | Very low | 111 Ų | 111 | 99.5 Ų | 99.5 | 42% | 0.419 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65 | -34.3 | 178.3 | -77.3 | -176.2 | 177.2 | 153.3 | -0.4 | 113.6 | E4666 T4723 H4724 D4730 E4731 | E4666-R4727 IonicContact OE1-CZ 2.74Å; E4666-R4727 VanDerWaalsContact OE1-CZ 3.27Å; E4666-R4727 IonicContact OE1-NE 2.8Å; E4666-R4727 PolarHBondContact OE1-NE 2.92Å; E4666-R4727 IonicContact OE1-NH2 2.97Å; E4666-R4727 PolarHBondContact OE1-NH2 2.72Å; T4723-R4727 WeakPolarHBondContact O-CB 3.28Å; T4723-R4727 WeakPolarHBondContact O-CG 3.49Å; T4723-R4727 PolarHBondContact O-N 3.05Å; T4723-R4727 VanDerWaalsContact O-N 3.13Å; H4724-R4727 PolarHBondContact O-N 3.08Å; R4727-D4730 WeakPolarHBondContact O-CB 3.4Å; R4727-D4730 PolarHBondContact O-N 3.07Å; R4727-E4731 WeakPolarHBondContact O-CG 3.29Å; R4727-E4731 PolarHBondContact O-N 2.8Å |
| 4728 | S | 46.1 | Very low | 49.8 | Very low | 20 Ų | 20 | 93.6 Ų | 93.6 | 14% | 0.14 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -66.9 | -41.8 | 176 | 66.6 | 0 | 0 | 0 | 0 | 112 | H4724 L4725 C4726 D4730 Y4732 | H4724-S4728 PolarHBondContact O-N 2.89Å; L4725-S4728 PolarHBondContact O-OG 3.11Å; L4725-S4728 VanDerWaalsContact O-OG 3.14Å; C4726-S4728 PolarHBondContact O-N 3.42Å; S4728-D4730 VanDerWaalsContact C-N 3.27Å; S4728-D4730 PolarHBondContact O-N 3.39Å; S4728-Y4732 WeakPolarHBondContact O-CB 3.42Å; S4728-Y4732 PolarHBondContact O-N 3Å |
| 4729 | K | 46.2 | Very low | 50.6 | Low | 160 Ų | 160 | 86.4 Ų | 86.4 | 70% | 0.696 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.4 | -33.8 | 170 | -78.4 | -174.2 | 174.6 | -177.3 | 0 | 113.1 | L4725 C4726 S4733 | L4725-K4729 PolarHBondContact O-N 3.49Å; C4726-K4729 PolarHBondContact O-N 3.13Å; K4729-S4733 WeakPolarHBondContact O-CB 3.37Å; K4729-S4733 PolarHBondContact O-N 3.5Å; K4729-S4733 PolarHBondContact O-OG 3.44Å |
| 4730 | D | 48.5 | Very low | 51.6 | Low | 30 Ų | 30 | 82.5 Ų | 82.5 | 16% | 0.16 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -75.4 | -41.1 | -179.1 | -70.7 | -31.9 | 0 | 0 | 0 | 113.4 | R4670 C4726 R4727 S4728 S4733 R4734 | R4670-D4730 IonicContact CZ-OD1 3.93Å; R4670-D4730 IonicContact CZ-OD2 2.7Å; R4670-D4730 IonicContact NH1-OD1 3.82Å; R4670-D4730 PolarHBondContact NH1-OD1 2.84Å; R4670-D4730 IonicContact NH1-OD2 2.82Å; R4670-D4730 VanDerWaalsContact NH2-CB 3.33Å; R4670-D4730 IonicContact NH2-OD1 2.78Å; R4670-D4730 PolarHBondContact NH2-OD1 3.24Å; R4670-D4730 IonicContact NH2-OD2 3.16Å; R4670-D4730 PolarHBondContact NH2-OD2 2.82Å; C4726-D4730 WeakPolarHBondContact O-CB 3.46Å; C4726-D4730 PolarHBondContact O-N 2.94Å; R4727-D4730 WeakPolarHBondContact O-CB 3.4Å; R4727-D4730 PolarHBondContact O-N 3.07Å; S4728-D4730 VanDerWaalsContact C-N 3.27Å; S4728-D4730 PolarHBondContact O-N 3.39Å; D4730-S4733 WeakPolarHBondContact CA-OG 3.33Å; D4730-S4733 PolarHBondContact O-OG 3.28Å; D4730-S4733 VanDerWaalsContact O-OG 3.07Å; D4730-R4734 WeakPolarHBondContact O-CB 3.48Å; D4730-R4734 WeakPolarHBondContact O-CG 3.39Å; D4730-R4734 PolarHBondContact O-N 3.13Å |
| 4731 | E | 50.9 | Low | 52.8 | Low | 141 Ų | 141 | 82.2 Ų | 82.2 | 66% | 0.659 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -67.9 | -38.7 | 172.3 | -70.7 | -179.3 | 179.1 | 0 | 0 | 110.6 | R4727 S4735 | R4727-E4731 WeakPolarHBondContact O-CG 3.29Å; R4727-E4731 PolarHBondContact O-N 2.8Å; E4731-S4735 VanDerWaalsContact O-CB 3.29Å; E4731-S4735 WeakPolarHBondContact O-CB 3.48Å; E4731-S4735 PolarHBondContact O-N 2.97Å; E4731-S4735 PolarHBondContact O-OG 3.46Å |
| 4732 | Y | 52.2 | Low | 53.8 | Low | 96 Ų | 96 | 76.8 Ų | 76.8 | 38% | 0.376 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60 | -47.4 | 174.1 | 179.5 | -85.6 | 0 | 0 | 0 | 113.1 | W4474 S4728 S4735 N4736 | W4474-Y4732 HydrophobicContact CB-CE2 4.36Å; W4474-Y4732 AromaticContact CD1-CD2 3.73Å; W4474-Y4732 AromaticContact CD1-CE2 3.17Å; W4474-Y4732 AromaticContact CD2-CD2 3.91Å; W4474-Y4732 HydrophobicContact CD2-CD2 3.91Å; W4474-Y4732 HydrophobicContact CD2-CE2 4.14Å; W4474-Y4732 AromaticContact CE2-CD2 3.7Å; W4474-Y4732 AromaticContact CE2-CE2 3.97Å; W4474-Y4732 AromaticContact CG-CD2 3.87Å; W4474-Y4732 HydrophobicContact CG-CD2 3.87Å; W4474-Y4732 AromaticContact CG-CE2 3.62Å; W4474-Y4732 HydrophobicContact CG-CE2 3.62Å; W4474-Y4732 HydrophobicContact CZ2-CD2 4.36Å; W4474-Y4732 AromaticContact NE1-CD2 3.55Å; W4474-Y4732 AromaticContact NE1-CE2 3.34Å; W4474-Y4732 VanDerWaalsContact NE1-CE2 3.34Å; S4728-Y4732 WeakPolarHBondContact O-CB 3.42Å; S4728-Y4732 PolarHBondContact O-N 3Å; Y4732-S4735 PolarHBondContact O-OG 2.86Å; Y4732-S4735 VanDerWaalsContact O-OG 3.09Å; Y4732-N4736 WeakPolarHBondContact CE1-ND2 3.46Å; Y4732-N4736 WeakPolarHBondContact O-CB 3.28Å; Y4732-N4736 PolarHBondContact O-N 3.42Å |
| 4733 | S | 55.6 | Low | 55 | Low | 56 Ų | 56 | 75.5 Ų | 75.5 | 39% | 0.392 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.3 | -45.9 | 179.8 | 48.3 | 0 | 0 | 0 | 0 | 112.3 | K4729 D4730 S4735 N4736 Q4737 | K4729-S4733 WeakPolarHBondContact O-CB 3.37Å; K4729-S4733 PolarHBondContact O-N 3.5Å; K4729-S4733 PolarHBondContact O-OG 3.44Å; D4730-S4733 WeakPolarHBondContact CA-OG 3.33Å; D4730-S4733 PolarHBondContact O-OG 3.28Å; D4730-S4733 VanDerWaalsContact O-OG 3.07Å; S4733-S4735 PolarHBondContact O-N 3.36Å; S4733-N4736 PolarHBondContact O-N 3.5Å; S4733-Q4737 WeakPolarHBondContact O-CB 3.44Å; S4733-Q4737 PolarHBondContact O-N 2.91Å |
| 4734 | R | 54 | Low | 56.3 | Low | 148 Ų | 148 | 76 Ų | 76 | 56% | 0.558 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -65 | -38.2 | 178.9 | -70.7 | 174.6 | 178.9 | 175.3 | 1 | 113.3 | D4730 A4738 | D4730-R4734 WeakPolarHBondContact O-CB 3.48Å; D4730-R4734 WeakPolarHBondContact O-CG 3.39Å; D4730-R4734 PolarHBondContact O-N 3.13Å; R4734-A4738 PolarHBondContact O-N 2.97Å; R4734-A4738 VanDerWaalsContact O-N 3.12Å |
| 4735 | S | 54.8 | Low | 57.6 | Low | 34 Ų | 34 | 76.1 Ų | 76.1 | 24% | 0.238 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -72.4 | -41.1 | 177.6 | 51.6 | 0 | 0 | 0 | 0 | 112.2 | W4474 E4731 Y4732 S4733 Q4737 A4738 I4739 | W4474-S4735 VanDerWaalsContact CH2-OG 3.26Å; W4474-S4735 WeakPolarHBondContact CH2-OG 3.37Å; W4474-S4735 WeakPolarHBondContact CZ2-OG 3.47Å; E4731-S4735 VanDerWaalsContact O-CB 3.29Å; E4731-S4735 WeakPolarHBondContact O-CB 3.48Å; E4731-S4735 PolarHBondContact O-N 2.97Å; E4731-S4735 PolarHBondContact O-OG 3.46Å; Y4732-S4735 PolarHBondContact O-OG 2.86Å; Y4732-S4735 VanDerWaalsContact O-OG 3.09Å; S4733-S4735 PolarHBondContact O-N 3.36Å; S4735-Q4737 PolarHBondContact O-N 2.9Å; S4735-A4738 PolarHBondContact O-N 2.95Å; S4735-I4739 WeakPolarHBondContact O-CG1 3.24Å; S4735-I4739 PolarHBondContact O-N 3.4Å |
| 4736 | N | 62.5 | Low | 58.8 | Low | 22 Ų | 22 | 72.1 Ų | 72.1 | 12% | 0.118 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 171.6 | -80.3 | -15.4 | 0 | 0 | 0 | 111.8 | W4474 Y4732 S4733 A4738 I4739 E4740 | W4474-N4736 PolarHBondContact NE1-OD1 3.47Å; Y4732-N4736 WeakPolarHBondContact CE1-ND2 3.46Å; Y4732-N4736 WeakPolarHBondContact O-CB 3.28Å; Y4732-N4736 PolarHBondContact O-N 3.42Å; S4733-N4736 PolarHBondContact O-N 3.5Å; N4736-A4738 PolarHBondContact O-N 2.94Å; N4736-I4739 PolarHBondContact O-N 2.9Å; N4736-I4739 VanDerWaalsContact O-N 3.13Å; N4736-E4740 WeakPolarHBondContact O-CG 3.29Å; N4736-E4740 PolarHBondContact O-N 3.3Å |
| 4737 | Q | 63.3 | Low | 60.2 | Low | 123 Ų | 123 | 75.3 Ų | 75.3 | 58% | 0.575 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.3 | -39.1 | 179.7 | -166.5 | 167.9 | 11 | 0 | 0 | 112.3 | S4733 S4735 I4739 E4740 D4741 | S4733-Q4737 WeakPolarHBondContact O-CB 3.44Å; S4733-Q4737 PolarHBondContact O-N 2.91Å; S4735-Q4737 PolarHBondContact O-N 2.9Å; Q4737-I4739 VanDerWaalsContact C-N 3.32Å; Q4737-I4739 PolarHBondContact O-N 3.26Å; Q4737-E4740 PolarHBondContact O-N 3.07Å; Q4737-D4741 PolarHBondContact O-N 2.8Å |
| 4738 | A | 60.5 | Low | 61.3 | Low | 45 Ų | 45 | 75.2 Ų | 75.2 | 37% | 0.372 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.4 | -34.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R4734 S4735 N4736 L4742 | R4734-A4738 PolarHBondContact O-N 2.97Å; R4734-A4738 VanDerWaalsContact O-N 3.12Å; S4735-A4738 PolarHBondContact O-N 2.95Å; N4736-A4738 PolarHBondContact O-N 2.94Å; A4738-L4742 WeakPolarHBondContact O-CG 3.27Å; A4738-L4742 PolarHBondContact O-N 3.46Å |
| 4739 | I | 64.3 | Low | 62.2 | Low | 8 Ų | 8 | 74.8 Ų | 74.8 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71 | -40.7 | 174.2 | -67.8 | 166.9 | 0 | 0 | 0 | 110.7 | T4478 L4482 S4735 N4736 Q4737 L4742 E4743 | T4478-I4739 HydrophobicContact CG2-CD1 3.78Å; L4482-I4739 HydrophobicContact CD2-CG1 4.31Å; S4735-I4739 WeakPolarHBondContact O-CG1 3.24Å; S4735-I4739 PolarHBondContact O-N 3.4Å; N4736-I4739 PolarHBondContact O-N 2.9Å; N4736-I4739 VanDerWaalsContact O-N 3.13Å; Q4737-I4739 VanDerWaalsContact C-N 3.32Å; Q4737-I4739 PolarHBondContact O-N 3.26Å; I4739-L4742 PolarHBondContact O-N 3.48Å; I4739-E4743 HydrophobicContact CG2-CG 4.45Å; I4739-E4743 WeakPolarHBondContact O-CG 3.49Å; I4739-E4743 PolarHBondContact O-N 3.23Å |
| 4740 | E | 69.2 | Low | 63.3 | Low | 93 Ų | 93 | 69.3 Ų | 69.3 | 44% | 0.435 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 176.6 | -75.2 | 175.5 | -172.5 | 0 | 0 | 112.2 | N4736 Q4737 L4742 E4743 N4744 | N4736-E4740 WeakPolarHBondContact O-CG 3.29Å; N4736-E4740 PolarHBondContact O-N 3.3Å; Q4737-E4740 PolarHBondContact O-N 3.07Å; E4740-L4742 VanDerWaalsContact C-N 3.3Å; E4740-L4742 PolarHBondContact O-N 3.08Å; E4740-E4743 PolarHBondContact O-N 3.23Å; E4740-N4744 VanDerWaalsContact O-CB 3.28Å; E4740-N4744 WeakPolarHBondContact O-CB 3.49Å; E4740-N4744 VanDerWaalsContact O-CG 3.23Å; E4740-N4744 PolarHBondContact O-N 3.07Å; E4740-N4744 PolarHBondContact O-ND2 3.26Å; E4740-N4744 VanDerWaalsContact O-ND2 3.15Å |
| 4741 | D | 68.9 | Low | 64.3 | Low | 88 Ų | 88 | 74.1 Ų | 74.1 | 47% | 0.471 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 172.7 | -80.9 | -16.3 | 0 | 0 | 0 | 112.3 | Q4737 K4745 | Q4737-D4741 PolarHBondContact O-N 2.8Å; D4741-K4745 WeakPolarHBondContact O-CB 3.36Å; D4741-K4745 VanDerWaalsContact O-CG 3.31Å; D4741-K4745 WeakPolarHBondContact O-CG 3.5Å; D4741-K4745 PolarHBondContact O-N 3.25Å |
| 4742 | L | 65.6 | Low | 64.9 | Low | 23 Ų | 23 | 72.9 Ų | 72.9 | 12% | 0.12 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.6 | -41.5 | 174.3 | -75 | 168.2 | 0 | 0 | 0 | 112.1 | L4520 L4524 M4527 A4738 I4739 E4740 L4746 | L4520-L4742 HydrophobicContact CD2-CD2 3.62Å; L4524-L4742 HydrophobicContact CD2-CD1 4.12Å; M4527-L4742 HydrophobicContact SD-CD1 4.2Å; A4738-L4742 WeakPolarHBondContact O-CG 3.27Å; A4738-L4742 PolarHBondContact O-N 3.46Å; I4739-L4742 PolarHBondContact O-N 3.48Å; E4740-L4742 VanDerWaalsContact C-N 3.3Å; E4740-L4742 PolarHBondContact O-N 3.08Å; L4742-L4746 WeakPolarHBondContact O-CB 3.4Å; L4742-L4746 PolarHBondContact O-N 2.65Å |
| 4743 | E | 69.1 | Low | 65.3 | Low | 49 Ų | 49 | 70.1 Ų | 70.1 | 23% | 0.229 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.7 | -36.3 | 175.8 | -76.5 | -179.8 | -176.2 | 0 | 0 | 112.2 | R4481 I4739 E4740 L4746 R4747 | R4481-E4743 IonicContact CZ-OE1 3.29Å; R4481-E4743 IonicContact CZ-OE2 3.48Å; R4481-E4743 IonicContact NE-OE1 3.58Å; R4481-E4743 PolarHBondContact NE-OE1 3Å; R4481-E4743 IonicContact NE-OE2 3.62Å; R4481-E4743 IonicContact NH2-OE1 2.69Å; R4481-E4743 PolarHBondContact NH2-OE1 2.84Å; R4481-E4743 IonicContact NH2-OE2 3.81Å; R4481-E4743 PolarHBondContact NH2-OE2 3.25Å; I4739-E4743 HydrophobicContact CG2-CG 4.45Å; I4739-E4743 WeakPolarHBondContact O-CG 3.49Å; I4739-E4743 PolarHBondContact O-N 3.23Å; E4740-E4743 PolarHBondContact O-N 3.23Å; E4743-L4746 WeakPolarHBondContact O-CB 3.49Å; E4743-L4746 PolarHBondContact O-N 2.73Å; E4743-R4747 PolarHBondContact O-N 2.9Å |
| 4744 | N | 74.4 | Confident | 65.4 | Low | 77 Ų | 77 | 72.2 Ų | 72.2 | 41% | 0.412 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.2 | -45.9 | 175 | -76.5 | -33.1 | 0 | 0 | 0 | 111.7 | E4740 L4746 R4747 Q4748 | E4740-N4744 VanDerWaalsContact O-CB 3.28Å; E4740-N4744 WeakPolarHBondContact O-CB 3.49Å; E4740-N4744 VanDerWaalsContact O-CG 3.23Å; E4740-N4744 PolarHBondContact O-N 3.07Å; E4740-N4744 PolarHBondContact O-ND2 3.26Å; E4740-N4744 VanDerWaalsContact O-ND2 3.15Å; N4744-L4746 VanDerWaalsContact C-N 3.27Å; N4744-L4746 PolarHBondContact O-N 3.34Å; N4744-R4747 PolarHBondContact O-N 2.98Å; N4744-Q4748 WeakPolarHBondContact O-CG 3.37Å; N4744-Q4748 PolarHBondContact O-N 2.8Å |
| 4745 | K | 69.7 | Low | 65.2 | Low | 114 Ų | 114 | 69.2 Ų | 69.2 | 50% | 0.496 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.9 | -38.6 | 171.6 | -75.7 | 174.9 | -176.4 | 173.9 | 0 | 111.8 | D4741 Q4748 L4749 | D4741-K4745 WeakPolarHBondContact O-CB 3.36Å; D4741-K4745 VanDerWaalsContact O-CG 3.31Å; D4741-K4745 WeakPolarHBondContact O-CG 3.5Å; D4741-K4745 PolarHBondContact O-N 3.25Å; K4745-Q4748 PolarHBondContact O-N 2.89Å; K4745-L4749 WeakPolarHBondContact O-CB 3.43Å; K4745-L4749 WeakPolarHBondContact O-CG 3.27Å; K4745-L4749 PolarHBondContact O-N 3.05Å |
| 4746 | L | 68.7 | Low | 64.8 | Low | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 174.3 | -94.5 | 165.2 | 0 | 0 | 0 | 112.7 | A4485 V4489 L4492 L4524 L4742 E4743 N4744 Q4748 L4749 E4750 | A4485-L4746 HydrophobicContact CB-CD1 3.82Å; V4489-L4746 HydrophobicContact CG2-CD1 3.94Å; V4489-L4746 HydrophobicContact CG2-CD2 3.44Å; V4489-L4746 VanDerWaalsContact CG2-CD2 3.44Å; V4489-L4746 HydrophobicContact CG2-CG 4.18Å; L4492-L4746 HydrophobicContact CD1-CD2 4.05Å; L4524-L4746 HydrophobicContact CD1-CD1 4.48Å; L4742-L4746 WeakPolarHBondContact O-CB 3.4Å; L4742-L4746 PolarHBondContact O-N 2.65Å; E4743-L4746 WeakPolarHBondContact O-CB 3.49Å; E4743-L4746 PolarHBondContact O-N 2.73Å; N4744-L4746 VanDerWaalsContact C-N 3.27Å; N4744-L4746 PolarHBondContact O-N 3.34Å; L4746-Q4748 VanDerWaalsContact C-N 3.35Å; L4746-Q4748 PolarHBondContact O-N 3.43Å; L4746-L4749 PolarHBondContact O-N 2.93Å; L4746-E4750 WeakPolarHBondContact O-CG 3.5Å; L4746-E4750 PolarHBondContact O-N 3.02Å |
| 4747 | R | 72.6 | Confident | 63.7 | Low | 142 Ų | 142 | 82.5 Ų | 82.5 | 54% | 0.536 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 175 | -176.4 | -179.4 | -78.3 | 160.6 | -4.9 | 111.6 | E4743 N4744 E4750 E4751 | E4743-R4747 PolarHBondContact O-N 2.9Å; N4744-R4747 PolarHBondContact O-N 2.98Å; R4747-E4750 WeakPolarHBondContact O-CB 3.45Å; R4747-E4750 PolarHBondContact O-N 2.93Å; R4747-E4751 WeakPolarHBondContact CG-OE1 3.41Å; R4747-E4751 WeakPolarHBondContact O-CG 3.24Å; R4747-E4751 PolarHBondContact O-N 2.95Å |
| 4748 | Q | 70.4 | Confident | 62.5 | Low | 109 Ų | 109 | 85.9 Ų | 85.9 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 175.8 | -71.5 | 174 | -3.9 | 0 | 0 | 112.5 | N4744 K4745 L4746 E4751 Q4752 | N4744-Q4748 WeakPolarHBondContact O-CG 3.37Å; N4744-Q4748 PolarHBondContact O-N 2.8Å; K4745-Q4748 PolarHBondContact O-N 2.89Å; L4746-Q4748 VanDerWaalsContact C-N 3.35Å; L4746-Q4748 PolarHBondContact O-N 3.43Å; Q4748-E4751 PolarHBondContact O-N 2.95Å; Q4748-Q4752 VanDerWaalsContact O-CG 3.29Å; Q4748-Q4752 WeakPolarHBondContact O-CG 3.32Å; Q4748-Q4752 PolarHBondContact O-N 3.44Å |
| 4749 | L | 65.4 | Low | 61.1 | Low | 11 Ų | 11 | 91.9 Ų | 91.9 | 6% | 0.058 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -69.3 | -35.2 | 175.1 | -74 | 167.1 | 0 | 0 | 0 | 112.2 | L4513 V4517 L4520 K4745 L4746 Q4752 I4753 | L4513-L4749 HydrophobicContact CD2-CD2 3.69Å; V4517-L4749 HydrophobicContact CG2-CD1 4.11Å; V4517-L4749 HydrophobicContact CG2-CD2 4.48Å; L4520-L4749 HydrophobicContact CD1-CD1 3.25Å; K4745-L4749 WeakPolarHBondContact O-CB 3.43Å; K4745-L4749 WeakPolarHBondContact O-CG 3.27Å; K4745-L4749 PolarHBondContact O-N 3.05Å; L4746-L4749 PolarHBondContact O-N 2.93Å; L4749-Q4752 PolarHBondContact O-N 2.77Å; L4749-I4753 HydrophobicContact CB-CD1 4.41Å; L4749-I4753 VanDerWaalsContact O-CB 3.27Å; L4749-I4753 WeakPolarHBondContact O-CB 3.47Å; L4749-I4753 WeakPolarHBondContact O-CD1 3.42Å; L4749-I4753 WeakPolarHBondContact O-CG1 3.39Å; L4749-I4753 PolarHBondContact O-N 3.22Å |
| 4750 | E | 69.1 | Low | 59.6 | Low | 45 Ų | 45 | 93.7 Ų | 93.7 | 21% | 0.21 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -59.8 | -51.2 | 169.4 | -75.9 | 175.7 | 177.5 | 0 | 0 | 110.8 | R4488 L4492 L4746 R4747 Q4752 I4753 L4754 | R4488-E4750 IonicContact CZ-OE1 3.96Å; R4488-E4750 IonicContact CZ-OE2 2.7Å; R4488-E4750 IonicContact NE-OE1 3.28Å; R4488-E4750 PolarHBondContact NE-OE1 3.39Å; R4488-E4750 IonicContact NE-OE2 3.5Å; R4488-E4750 IonicContact NH2-OE1 3.9Å; R4488-E4750 PolarHBondContact NH2-OE1 3.45Å; R4488-E4750 VanDerWaalsContact NH2-OE1 3.16Å; R4488-E4750 IonicContact NH2-OE2 2.65Å; R4488-E4750 PolarHBondContact NH2-OE2 3.41Å; L4492-E4750 HydrophobicContact CD1-CG 3.87Å; L4492-E4750 HydrophobicContact CD2-CG 4Å; L4492-E4750 HydrophobicContact CG-CG 4.2Å; L4746-E4750 WeakPolarHBondContact O-CG 3.5Å; L4746-E4750 PolarHBondContact O-N 3.02Å; R4747-E4750 WeakPolarHBondContact O-CB 3.45Å; R4747-E4750 PolarHBondContact O-N 2.93Å; E4750-Q4752 PolarHBondContact O-N 2.87Å; E4750-I4753 PolarHBondContact O-N 3.19Å; E4750-I4753 VanDerWaalsContact O-N 3.17Å; E4750-L4754 HydrophobicContact CB-CD1 3.76Å; E4750-L4754 HydrophobicContact CG-CD1 4.15Å; E4750-L4754 VanDerWaalsContact O-CB 3.3Å; E4750-L4754 WeakPolarHBondContact O-CB 3.42Å; E4750-L4754 WeakPolarHBondContact O-CD1 3.46Å; E4750-L4754 PolarHBondContact O-N 3.13Å |
| 4751 | E | 68.7 | Low | 58 | Low | 132 Ų | 132 | 94.6 Ų | 94.6 | 62% | 0.617 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.1 | -32.9 | 177.9 | -73.2 | 169 | -166.8 | 0 | 0 | 113 | R4747 Q4748 | R4747-E4751 WeakPolarHBondContact CG-OE1 3.41Å; R4747-E4751 WeakPolarHBondContact O-CG 3.24Å; R4747-E4751 PolarHBondContact O-N 2.95Å; Q4748-E4751 PolarHBondContact O-N 2.95Å |
| 4752 | Q | 63.3 | Low | 56.4 | Low | 115 Ų | 115 | 96.4 Ų | 96.4 | 54% | 0.537 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -80.8 | -28.6 | 176.4 | -71 | 176.6 | 19.8 | 0 | 0 | 114.5 | Q4748 L4749 E4750 P4755 | Q4748-Q4752 VanDerWaalsContact O-CG 3.29Å; Q4748-Q4752 WeakPolarHBondContact O-CG 3.32Å; Q4748-Q4752 PolarHBondContact O-N 3.44Å; L4749-Q4752 PolarHBondContact O-N 2.77Å; E4750-Q4752 PolarHBondContact O-N 2.87Å; Q4752-P4755 VanDerWaalsContact C-CD 3.47Å; Q4752-P4755 WeakPolarHBondContact O-CD 3.35Å |
| 4753 | I | 60.7 | Low | 54.8 | Low | 37 Ų | 37 | 101.6 Ų | 101.6 | 19% | 0.19 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -96.6 | -26.3 | -175.7 | -65.2 | 165.8 | 0 | 0 | 0 | 112.3 | L4492 I4496 V4517 L4749 E4750 | L4492-I4753 HydrophobicContact CD2-CB 4.06Å; L4492-I4753 HydrophobicContact CD2-CD1 4.2Å; L4492-I4753 HydrophobicContact CD2-CG2 3.96Å; I4496-I4753 HydrophobicContact CD1-CD1 4.39Å; I4496-I4753 HydrophobicContact CG1-CG2 4.4Å; V4517-I4753 HydrophobicContact CG2-CD1 4.02Å; L4749-I4753 HydrophobicContact CB-CD1 4.41Å; L4749-I4753 VanDerWaalsContact O-CB 3.27Å; L4749-I4753 WeakPolarHBondContact O-CB 3.47Å; L4749-I4753 WeakPolarHBondContact O-CD1 3.42Å; L4749-I4753 WeakPolarHBondContact O-CG1 3.39Å; L4749-I4753 PolarHBondContact O-N 3.22Å; E4750-I4753 PolarHBondContact O-N 3.19Å; E4750-I4753 VanDerWaalsContact O-N 3.17Å |
| 4754 | L | 58.9 | Low | 52.8 | Low | 100 Ų | 100 | 111.1 Ų | 111.1 | 52% | 0.524 | 57% | 0.567 | S | S | . | * | trans | -79.2 | -5.7 | 177.7 | -83.9 | 114.4 | 0 | 0 | 0 | 118.6 | L4492 E4750 H4756 | L4492-L4754 HydrophobicContact CD2-CD1 4.3Å; E4750-L4754 HydrophobicContact CB-CD1 3.76Å; E4750-L4754 HydrophobicContact CG-CD1 4.15Å; E4750-L4754 VanDerWaalsContact O-CB 3.3Å; E4750-L4754 WeakPolarHBondContact O-CB 3.42Å; E4750-L4754 WeakPolarHBondContact O-CD1 3.46Å; E4750-L4754 PolarHBondContact O-N 3.13Å; L4754-H4756 PolarHBondContact O-N 2.72Å | ||
| 4755 | P | 48.9 | Very low | 51.8 | Low | 86 Ų | 86 | 112.8 Ų | 112.8 | 56% | 0.558 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 36.2 | -176.2 | 34.4 | -34.5 | 0 | 0 | 0 | 113.9 | Q4752 | Q4752-P4755 VanDerWaalsContact C-CD 3.47Å; Q4752-P4755 WeakPolarHBondContact O-CD 3.35Å |
| 4756 | H | 46.5 | Very low | 50.8 | Low | 171 Ų | 171 | 112.7 Ų | 112.7 | 79% | 0.792 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.9 | 22.1 | 173.7 | -80.9 | -31.6 | 0 | 0 | 0 | 115.1 | L4754 | L4754-H4756 PolarHBondContact O-N 2.72Š|
| 4757 | K | 40 | Very low | 49.8 | Very low | 164 Ų | 164 | 118.9 Ų | 118.9 | 71% | 0.713 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -97.2 | 125.4 | 156.4 | -76.8 | -173.8 | 176.7 | 177 | 0 | 109.7 | ||
| 4758 | F | 37 | Very low | 48.5 | Very low | 194 Ų | 194 | 117.6 Ų | 117.6 | 85% | 0.851 | 62% | 0.615 | S | S | * | * | trans | 76.1 | 57.8 | -178.9 | -55.3 | -77.3 | 0 | 0 | 0 | 117.7 | G4760 | F4758-G4760 VanDerWaalsContact C-N 3.29Å; F4758-G4760 PolarHBondContact O-N 3.14Å | ||
| 4759 | N | 32.2 | Very low | 47.1 | Very low | 170 Ų | 170 | 118.1 Ų | 118.1 | 91% | 0.909 | 62% | 0.621 | S | S | * | * | trans | -79 | 88.3 | 134.2 | -106.1 | -4.9 | 0 | 0 | 0 | 107.8 | ||||
| 4760 | G | 31.7 | Very low | 45.9 | Very low | 46 Ų | 46 | 125.3 Ų | 125.3 | 47% | 0.474 | 66% | 0.659 | S | S | . | * | trans | -153.2 | 113.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | F4758 | F4758-G4760 VanDerWaalsContact C-N 3.29Å; F4758-G4760 PolarHBondContact O-N 3.14Å | ||
| 4761 | S | 35.8 | Very low | 44.2 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 69% | 0.691 | S | S | * | * | trans | 57.8 | 123.5 | -170.4 | 54.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 4762 | V | 34.9 | Very low | 42.4 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 77% | 0.77 | 70% | 0.697 | S | S | * | * | cis | 44.8 | 79 | 24.2 | -172.6 | 0 | 0 | 0 | 0 | 111.4 | Q4764 | V4762-Q4764 VanDerWaalsContact CG1-O 3.29Å; V4762-Q4764 WeakPolarHBondContact CG1-O 3.5Å | ||
| 4763 | V | 33.2 | Very low | 40.6 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | trans | -61 | 127.4 | 150.4 | 170.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 4764 | Q | 27.6 | Very low | 38.8 | Very low | 249 Ų | 249 | 140.9 Ų | 140.9 | 100% | 1.164 | 76% | 0.757 | S | S | * | * | trans | 78.8 | 0 | -178.9 | -64.5 | 176.1 | -3.2 | 0 | 0 | 116.9 | V4762 | V4762-Q4764 VanDerWaalsContact CG1-O 3.29Å; V4762-Q4764 WeakPolarHBondContact CG1-O 3.5Å |
Retrieved 4,764 of 4,764 residues in 1089.3 ms
(Link to these results)