| 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 | 45.6 | Very low | 85.7 | Confident | 236 Ų | 236 | 57.1 Ų | 57.1 | 100% | 1.163 | 29% | 0.294 | S | S | * | . | 0 | 137.9 | 0 | -95.9 | 177.8 | -103 | 0 | 0 | 107.1 | E3 | M1-E3 PolarHBondContact O-N 3.05Š| |||
| 2 | V | 61.1 | Low | 86.2 | Confident | 91 Ų | 91 | 57 Ų | 57 | 55% | 0.552 | 30% | 0.302 | S | S | * | . | trans | -68.4 | 118.2 | 173.5 | -178.1 | 0 | 0 | 0 | 0 | 106.9 | V4 F287 | V2-V4 VanDerWaalsContact C-N 3.33Å; V2-V4 HydrophobicContact CB-CG2 4.28Å; V2-V4 HydrophobicContact CG1-CG2 3.84Å; V2-V4 PolarHBondContact O-N 3.04Å; V2-F287 HydrophobicContact CG1-CE2 4.03Å; V2-F287 HydrophobicContact CG1-CZ 3.52Å | ||
| 3 | E | 81.2 | Confident | 86.2 | Confident | 110 Ų | 110 | 54.5 Ų | 54.5 | 51% | 0.514 | 30% | 0.298 | S | S | . | . | trans | -74.5 | 86.5 | 179.1 | -74.4 | 177.3 | 179.2 | 0 | 0 | 109.8 | M1 K257 C322 | M1-E3 PolarHBondContact O-N 3.05Å; E3-K257 IonicContact OE2-NZ 2.75Å; E3-K257 PolarHBondContact OE2-NZ 3.39Å; E3-C322 HydrophobicContact CB-CB 3.97Å | ||
| 4 | V | 90.4 | Very high | 86.7 | Confident | 24 Ų | 24 | 51.6 Ų | 51.6 | 15% | 0.145 | 28% | 0.281 | C | S | . | . | trans | -90.5 | 129.2 | 179.8 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | V2 Q288 C322 Q327 Q394 | V2-V4 VanDerWaalsContact C-N 3.33Å; V2-V4 HydrophobicContact CB-CG2 4.28Å; V2-V4 HydrophobicContact CG1-CG2 3.84Å; V2-V4 PolarHBondContact O-N 3.04Å; V4-Q288 VanDerWaalsContact CG1-NE2 3.27Å; V4-C322 WeakPolarHBondContact O-CA 3.39Å; V4-Q327 PolarHBondContact O-NE2 3.03Å; V4-Q394 HydrophobicContact CG2-CB 3.78Å; V4-Q394 HydrophobicContact CG2-CG 4.12Å | ||
| 5 | Y | 95 | Very high | 86.9 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | trans | -73 | 129.6 | 176.2 | -76 | -88.9 | 0 | 0 | 0 | 110.9 | K257 V269 Q288 G306 I308 F320 S321 C322 | Y5-K257 HydrophobicContact CE2-CD 4.34Å; Y5-V269 HydrophobicContact CD2-CG1 4.37Å; Y5-V269 HydrophobicContact CD2-CG2 3.99Å; Y5-V269 HydrophobicContact CE2-CG1 4.13Å; Y5-V269 HydrophobicContact CE2-CG2 4.4Å; Y5-Q288 PolarHBondContact O-NE2 3.25Å; Y5-G306 WeakPolarHBondContact CE1-O 3.33Å; Y5-G306 PolarHBondContact OH-O 3.18Å; Y5-I308 HydrophobicContact CD1-CD1 3.46Å; Y5-I308 VanDerWaalsContact CD1-CD1 3.46Å; Y5-I308 HydrophobicContact CD1-CG1 3.88Å; Y5-I308 HydrophobicContact CD2-CD1 3.87Å; Y5-I308 HydrophobicContact CE1-CD1 3.55Å; Y5-I308 HydrophobicContact CE1-CG1 3.59Å; Y5-I308 HydrophobicContact CE2-CD1 3.93Å; Y5-I308 HydrophobicContact CG-CD1 3.63Å; Y5-F320 HydrophobicContact CD1-CB 4.23Å; Y5-S321 WeakPolarHBondContact CA-O 3.19Å; Y5-C322 HydrophobicContact CD1-CB 4.04Å; Y5-C322 HydrophobicContact CD2-CB 4.16Å; Y5-C322 HydrophobicContact CE1-CB 4.01Å; Y5-C322 HydrophobicContact CE2-CB 4.15Å; Y5-C322 HydrophobicContact CG-CB 4.11Å | ||
| 6 | K | 94.9 | Very high | 87.3 | Confident | 83 Ų | 83 | 53.7 Ų | 53.7 | 36% | 0.361 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 161.9 | 170.7 | -60.5 | -172.4 | -180 | 179.7 | 0 | 110 | R8 F320 S321 Q327 L333 | K6-R8 PolarHBondContact O-N 2.63Å; K6-F320 CarbonylContact O-C 3.46Å; K6-F320 WeakPolarHBondContact O-CA 3.39Å; K6-S321 PolarHBondContact N-O 3.19Å; K6-S321 PolarHBondContact O-N 3.13Å; K6-Q327 HydrophobicContact CB-CG 3.97Å; K6-L333 HydrophobicContact CB-CD2 4.15Å; K6-L333 HydrophobicContact CD-CD1 4.21Å |
| 7 | L | 96 | Very high | 87.8 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 128.1 | 178.5 | -175.3 | 71.4 | 0 | 0 | 0 | 109.2 | R318 F320 A328 V332 L333 Y336 | L7-R318 HydrophobicContact CD1-CB 4.2Å; L7-R318 HydrophobicContact CD1-CG 4.46Å; L7-F320 HydrophobicContact CB-CD1 4.35Å; L7-F320 HydrophobicContact CB-CE1 4.13Å; L7-F320 HydrophobicContact CD1-CE1 4.03Å; L7-F320 HydrophobicContact CD1-CZ 4.06Å; L7-A328 VanDerWaalsContact O-CB 3.28Å; L7-A328 WeakPolarHBondContact O-CB 3.38Å; L7-A328 PolarHBondContact O-N 3.32Å; L7-V332 HydrophobicContact CD2-CG1 4.18Å; L7-L333 HydrophobicContact CB-CD2 3.9Å; L7-Y336 HydrophobicContact CD2-CD2 3.8Å; L7-Y336 HydrophobicContact CD2-CE2 4.48Å; L7-Y336 HydrophobicContact CD2-CG 3.9Å |
| 8 | R | 95.3 | Very high | 88.4 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 1% | 0.011 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -56.1 | 170.4 | 163.4 | 165.7 | -160.4 | -155.6 | -3.2 | 109.4 | K6 S44 G47 C48 D307 I319 R326 | K6-R8 PolarHBondContact O-N 2.63Å; R8-S44 PolarHBondContact NH2-O 3.16Å; R8-G47 PolarHBondContact NE-O 2.9Å; R8-G47 PolarHBondContact NH2-O 2.88Å; R8-C48 WeakPolarHBondContact O-CB 3.41Å; R8-D307 VanDerWaalsContact CD-OD2 3.32Å; R8-D307 WeakPolarHBondContact CD-OD2 3.44Å; R8-D307 IonicContact CZ-OD2 3.57Å; R8-D307 IonicContact NE-OD2 3.81Å; R8-D307 IonicContact NH1-OD2 2.6Å; R8-D307 PolarHBondContact NH1-OD2 2.85Å; R8-I319 WeakPolarHBondContact CA-O 3.47Å; R8-I319 HydrophobicContact CB-CB 4.33Å; R8-I319 HydrophobicContact CB-CG2 4.21Å; R8-I319 WeakPolarHBondContact CB-O 3.47Å; R8-I319 HydrophobicContact CG-CB 4.47Å; R8-I319 HydrophobicContact CG-CG2 4.26Å; R8-I319 PolarHBondContact N-O 2.8Å; R8-R326 WeakPolarHBondContact CG-O 3.43Å |
| 9 | C | 93.9 | Very high | 88.9 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 164.8 | 177.9 | 67.8 | 0 | 0 | 0 | 0 | 111.8 | C48 I319 | C9-C48 WeakPolarHBondContact CB-O 3.47Å; C9-I319 PolarHBondContact N-O 2.87Å; C9-I319 PolarHBondContact O-N 3.2Å |
| 10 | T | 94.8 | Very high | 89.3 | Confident | 57 Ų | 57 | 46.5 Ų | 46.5 | 35% | 0.35 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 128.3 | 170.4 | -57.5 | 0 | 0 | 0 | 0 | 108.2 | M316 I317 R318 | T10-M316 HydrophobicContact CG2-CB 4.06Å; T10-M316 HydrophobicContact CG2-CG 4.28Å; T10-M316 HydrophobicContact CG2-SD 4.12Å; T10-I317 CarbonylContact C-O 3.59Å; T10-I317 WeakPolarHBondContact CA-O 3.39Å; T10-R318 HydrophobicContact CG2-CG 4.04Å |
| 11 | L | 94.2 | Very high | 89.7 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 123.6 | 176.5 | -43.1 | 173.1 | 0 | 0 | 0 | 109 | I29 W41 I43 I317 I319 | L11-I29 HydrophobicContact CD1-CD1 3.88Å; L11-W41 HydrophobicContact CB-CD2 4.39Å; L11-W41 HydrophobicContact CB-CE3 3.81Å; L11-W41 HydrophobicContact CB-CH2 4.31Å; L11-W41 HydrophobicContact CB-CZ3 3.77Å; L11-W41 HydrophobicContact CD1-CB 4.01Å; L11-W41 HydrophobicContact CD1-CD2 3.84Å; L11-W41 HydrophobicContact CD1-CE3 3.86Å; L11-W41 HydrophobicContact CD1-CG 3.91Å; L11-W41 HydrophobicContact CG-CE3 4.32Å; L11-I43 HydrophobicContact CD1-CD1 3.63Å; L11-I43 HydrophobicContact CD2-CD1 4.06Å; L11-I43 HydrophobicContact CG-CD1 4.43Å; L11-I317 HydrophobicContact CB-CB 4.14Å; L11-I317 HydrophobicContact CD1-CB 4.33Å; L11-I317 HydrophobicContact CD1-CG2 4.2Å; L11-I317 HydrophobicContact CG-CB 4.47Å; L11-I317 PolarHBondContact N-O 3.42Å; L11-I317 PolarHBondContact O-N 3.45Å; L11-I319 HydrophobicContact CD1-CD1 4.23Å |
| 12 | S | 92.2 | Very high | 92.2 | Very high | 56 Ų | 56 | 34.5 Ų | 34.5 | 39% | 0.392 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 132.2 | 176.5 | 61.4 | 0 | 0 | 0 | 0 | 109.7 | ||
| 13 | G | 86.2 | Confident | 93.7 | Very high | 25 Ų | 25 | 31.8 Ų | 31.8 | 26% | 0.258 | 17% | 0.174 | S | C | . | . | trans | -178.4 | -40.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R39 | G13-R39 PolarHBondContact O-NH1 3.46Å; G13-R39 PolarHBondContact O-NH2 3.22Å | ||
| 14 | H | 92.9 | Very high | 94.1 | Very high | 13 Ų | 13 | 29 Ų | 29 | 6% | 0.06 | 16% | 0.162 | C | C | . | . | trans | -59.7 | 150.4 | 171.9 | -77.7 | -59.4 | 0 | 0 | 0 | 111.6 | V18 S31 S33 D35 T37 R39 S315 | H14-V18 HydrophobicContact CB-CG2 4.23Å; H14-S31 PolarHBondContact CD2-OG 2.93Å; H14-S31 PolarHBondContact NE2-OG 3.26Å; H14-S33 WeakPolarHBondContact CE1-CB 3.47Å; H14-S33 VanDerWaalsContact CG-CB 3.49Å; H14-S33 WeakPolarHBondContact ND1-CB 3.49Å; H14-D35 WeakPolarHBondContact CA-OD2 3.4Å; H14-D35 IonicContact CE1-OD1 2.7Å; H14-D35 IonicContact CE1-OD2 3.67Å; H14-D35 IonicContact CG-OD2 3.75Å; H14-D35 VanDerWaalsContact ND1-CG 3.29Å; H14-D35 IonicContact ND1-OD1 3.55Å; H14-D35 PolarHBondContact ND1-OD1 2.84Å; H14-D35 VanDerWaalsContact ND1-OD1 3.13Å; H14-D35 IonicContact ND1-OD2 2.73Å; H14-D35 PolarHBondContact ND1-OD2 3.19Å; H14-T37 PolarHBondContact CE1-OG1 2.96Å; H14-T37 PolarHBondContact ND1-OG1 3.45Å; H14-R39 PolarHBondContact ND1-NE 3.07Å; H14-S315 VanDerWaalsContact O-CB 3.28Å; H14-S315 WeakPolarHBondContact O-CB 3.36Å | ||
| 15 | K | 90.2 | Very high | 94.1 | Very high | 132 Ų | 132 | 30 Ų | 30 | 57% | 0.574 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -104 | 0.2 | 180 | -60.4 | -179 | -178.7 | 175.8 | 0 | 113.5 | D35 S315 | K15-D35 HydrophobicContact CB-CB 4.04Å; K15-D35 PolarHBondContact N-OD2 3.26Å; K15-S315 VanDerWaalsContact C-OG 3.3Å |
| 16 | S | 93.2 | Very high | 93.7 | Very high | 5 Ų | 5 | 33.3 Ų | 33.3 | 4% | 0.035 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -157.4 | 177.2 | 179.2 | -168.9 | 0 | 0 | 0 | 0 | 110.7 | V18 S33 R34 S315 N484 | S16-V18 PolarHBondContact O-N 3.33Å; S16-S33 PolarHBondContact O-OG 2.8Å; S16-R34 WeakPolarHBondContact OG-CB 3.44Å; S16-S315 WeakPolarHBondContact CA-OG 3.37Å; S16-S315 PolarHBondContact N-OG 3.33Å; S16-S315 VanDerWaalsContact O-CA 3.32Å; S16-S315 WeakPolarHBondContact O-CA 3.43Å; S16-S315 WeakPolarHBondContact O-CB 3.36Å; S16-S315 PolarHBondContact O-OG 2.97Å; S16-N484 WeakPolarHBondContact CB-ND2 3.27Å; S16-N484 PolarHBondContact OG-ND2 2.93Å; S16-N484 PolarHBondContact OG-OD1 2.72Å |
| 17 | D | 96.2 | Very high | 93.5 | Very high | 24 Ų | 24 | 31.4 Ų | 31.4 | 13% | 0.128 | 18% | 0.183 | C | C | . | . | trans | -37.9 | 127.1 | -178.9 | -58.8 | 49.9 | 0 | 0 | 0 | 113.2 | R19 S33 R34 W298 | D17-R19 PolarHBondContact O-N 3.41Å; D17-S33 VanDerWaalsContact O-CA 3.23Å; D17-S33 WeakPolarHBondContact O-CA 3.36Å; D17-S33 WeakPolarHBondContact O-CB 3.43Å; D17-S33 PolarHBondContact O-OG 2.86Å; D17-R34 HydrophobicContact CB-CB 4.49Å; D17-R34 HydrophobicContact CB-CG 4.04Å; D17-R34 PolarHBondContact O-N 2.87Å; D17-R34 IonicContact OD1-NH1 3.94Å; D17-R34 IonicContact OD2-CZ 2.78Å; D17-R34 IonicContact OD2-NH1 3.41Å; D17-W298 PolarHBondContact OD2-NE1 3.13Å | ||
| 18 | V | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 112 | 172.8 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | H14 S16 V21 A32 W298 G312 I317 | H14-V18 HydrophobicContact CB-CG2 4.23Å; S16-V18 PolarHBondContact O-N 3.33Å; V18-V21 HydrophobicContact CG1-CG1 4.1Å; V18-A32 CarbonylContact C-O 3.57Å; V18-W298 VanDerWaalsContact O-CB 3.29Å; V18-W298 WeakPolarHBondContact O-CB 3.37Å; V18-G312 PolarHBondContact N-O 2.95Å; V18-I317 HydrophobicContact CB-CG1 4.5Å; V18-I317 HydrophobicContact CG1-CG1 4.06Å; V18-I317 HydrophobicContact CG2-CG1 3.97Å |
| 19 | R | 97.7 | Very high | 93.4 | Very high | 34 Ų | 34 | 35 Ų | 35 | 13% | 0.128 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -25.4 | -167.7 | -72.1 | -63.3 | -52.8 | -70.6 | 1.7 | 114.7 | D17 A32 R34 C299 | D17-R19 PolarHBondContact O-N 3.41Å; R19-A32 PolarHBondContact N-O 2.92Å; R19-R34 HydrophobicContact CG-CG 3.82Å; R19-C299 WeakPolarHBondContact O-CB 3.3Å |
| 20 | A | 98 | Very high | 93.5 | Very high | 13 Ų | 13 | 34.6 Ų | 34.6 | 11% | 0.107 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 150.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | S31 A32 V66 C299 | A20-S31 CarbonylContact O-C 3.48Å; A20-S31 VanDerWaalsContact O-CA 3.3Å; A20-S31 WeakPolarHBondContact O-CA 3.2Å; A20-A32 HydrophobicContact CB-CB 4.29Å; A20-A32 PolarHBondContact N-O 3.33Å; A20-A32 PolarHBondContact O-N 2.89Å; A20-V66 HydrophobicContact CB-CG1 3.82Å; A20-C299 VanDerWaalsContact C-SG 3.59Å; A20-C299 VanDerWaalsContact CA-SG 3.55Å |
| 21 | V | 97.8 | Very high | 93.7 | Very high | 17 Ų | 17 | 31.9 Ų | 31.9 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 145.6 | 174.4 | -70.2 | 0 | 0 | 0 | 0 | 109.5 | V18 V30 C299 A301 V309 | V18-V21 HydrophobicContact CG1-CG1 4.1Å; V21-V30 CarbonylContact C-O 3.5Å; V21-V30 VanDerWaalsContact CA-O 3.25Å; V21-V30 WeakPolarHBondContact CA-O 3.39Å; V21-C299 HydrophobicContact CG2-CB 4.23Å; V21-A301 HydrophobicContact CG2-CB 3.83Å; V21-V309 HydrophobicContact CB-CG1 4.32Å; V21-V309 HydrophobicContact CG1-CG1 4.22Å; V21-V309 HydrophobicContact CG2-CG1 4.43Å |
| 22 | A | 96 | Very high | 93.9 | Very high | 14 Ų | 14 | 31.6 Ų | 31.6 | 12% | 0.116 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 153.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | I29 V30 V66 | A22-I29 CarbonylContact O-C 3.53Å; A22-I29 WeakPolarHBondContact O-CA 3.27Å; A22-V30 PolarHBondContact N-O 3.49Å; A22-V30 PolarHBondContact O-N 2.97Å; A22-V66 HydrophobicContact CB-CG1 3.98Å |
| 23 | C | 93.4 | Very high | 94.2 | Very high | 34 Ų | 34 | 29 Ų | 29 | 23% | 0.23 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 128.1 | 179.5 | -56.7 | 0 | 0 | 0 | 0 | 109.6 | M302 | C23-M302 PolarHBondContact SG-O 3.25Å |
| 24 | L | 89.6 | Confident | 94.7 | Very high | 51 Ų | 51 | 30.4 Ų | 30.4 | 27% | 0.267 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -40.1 | 170.9 | -72.3 | 163.5 | 0 | 0 | 0 | 110.8 | R28 V30 I40 C68 C75 I77 | L24-R28 HydrophobicContact CB-CB 3.82Å; L24-R28 WeakPolarHBondContact CB-O 3.33Å; L24-R28 HydrophobicContact CD1-CB 4.07Å; L24-R28 PolarHBondContact N-O 2.98Å; L24-V30 HydrophobicContact CD1-CG2 3.44Å; L24-V30 VanDerWaalsContact CD1-CG2 3.44Å; L24-V30 HydrophobicContact CD2-CG2 4.48Å; L24-V30 HydrophobicContact CG-CG2 3.77Å; L24-I40 HydrophobicContact CD1-CG2 4.36Å; L24-C68 HydrophobicContact CD2-CB 3.62Å; L24-C68 WeakPolarHBondContact CD2-SG 3.38Å; L24-C68 HydrophobicContact CG-CB 4.41Å; L24-C75 HydrophobicContact CD2-CB 4.04Å; L24-C75 WeakPolarHBondContact CD2-SG 3.3Å; L24-I77 HydrophobicContact CD1-CD1 4.29Å; L24-I77 HydrophobicContact CD2-CG1 4.32Å |
| 25 | S | 89.8 | Confident | 94.7 | Very high | 44 Ų | 44 | 31 Ų | 31 | 31% | 0.308 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | -174.3 | 179.2 | 72.8 | 0 | 0 | 0 | 0 | 110 | T27 R28 | S25-T27 PolarHBondContact O-N 2.91Å; S25-T27 VanDerWaalsContact O-N 3.15Å; S25-T27 PolarHBondContact OG-N 2.82Å; S25-T27 PolarHBondContact OG-OG1 3.42Å; S25-R28 PolarHBondContact N-O 3.15Å; S25-R28 VanDerWaalsContact N-O 3.12Å; S25-R28 PolarHBondContact O-N 3.26Å; S25-R28 PolarHBondContact OG-N 2.89Å |
| 26 | D | 87.9 | Confident | 95 | Very high | 74 Ų | 74 | 27.7 Ų | 27.7 | 40% | 0.396 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -19.9 | 174.6 | -67.3 | -21.6 | 0 | 0 | 0 | 114.6 | P304 N305 | D26-P304 VanDerWaalsContact OD1-C 3.31Å; D26-P304 WeakPolarHBondContact OD1-CB 3.34Å; D26-P304 WeakPolarHBondContact OD1-CD 3.44Å; D26-N305 HydrophobicContact CB-CB 4.22Å; D26-N305 PolarHBondContact OD1-N 2.9Å |
| 27 | T | 91.2 | Very high | 95.2 | Very high | 44 Ų | 44 | 28.1 Ų | 28.1 | 27% | 0.27 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | 3.7 | -173.1 | 62.3 | 0 | 0 | 0 | 0 | 112.6 | S25 N42 I43 K45 | S25-T27 PolarHBondContact O-N 2.91Å; S25-T27 VanDerWaalsContact O-N 3.15Å; S25-T27 PolarHBondContact OG-N 2.82Å; S25-T27 PolarHBondContact OG-OG1 3.42Å; T27-N42 WeakPolarHBondContact O-CA 3.08Å; T27-I43 VanDerWaalsContact CB-O 3.26Å; T27-I43 WeakPolarHBondContact CB-O 3.49Å; T27-I43 PolarHBondContact O-N 2.9Å; T27-K45 HydrophobicContact CG2-CB 3.89Å; T27-K45 HydrophobicContact CG2-CG 4.18Å |
| 28 | R | 92.5 | Very high | 95.3 | Very high | 82 Ų | 82 | 27.1 Ų | 27.1 | 31% | 0.309 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 125.6 | -180 | -75.7 | -172 | 166.2 | -148.3 | -16.3 | 111.1 | L24 S25 W41 N42 D53 | L24-R28 HydrophobicContact CB-CB 3.82Å; L24-R28 WeakPolarHBondContact CB-O 3.33Å; L24-R28 HydrophobicContact CD1-CB 4.07Å; L24-R28 PolarHBondContact N-O 2.98Å; S25-R28 PolarHBondContact N-O 3.15Å; S25-R28 VanDerWaalsContact N-O 3.12Å; S25-R28 PolarHBondContact O-N 3.26Å; S25-R28 PolarHBondContact OG-N 2.89Å; R28-W41 WeakPolarHBondContact CA-O 3.38Å; R28-N42 WeakPolarHBondContact CG-OD1 3.48Å; R28-N42 PolarHBondContact NE-OD1 3.24Å; R28-N42 PolarHBondContact NH2-OD1 2.97Å; R28-N42 VanDerWaalsContact NH2-OD1 3.1Å; R28-D53 IonicContact CZ-OD2 3.06Å; R28-D53 IonicContact NH1-OD2 3.31Å; R28-D53 IonicContact NH2-OD2 3.09Å; R28-D53 PolarHBondContact NH2-OD2 2.92Å |
| 29 | I | 95.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 161.3 | 175.3 | 65.5 | 166 | 0 | 0 | 0 | 109.7 | L11 A22 W41 I43 V303 V309 I317 I319 | L11-I29 HydrophobicContact CD1-CD1 3.88Å; A22-I29 CarbonylContact O-C 3.53Å; A22-I29 WeakPolarHBondContact O-CA 3.27Å; I29-W41 HydrophobicContact CD1-CB 4.36Å; I29-W41 HydrophobicContact CD1-CG 4.43Å; I29-W41 HydrophobicContact CG1-CB 3.71Å; I29-W41 HydrophobicContact CG1-CG 4.07Å; I29-W41 PolarHBondContact N-O 3.31Å; I29-W41 VanDerWaalsContact N-O 3.15Å; I29-W41 PolarHBondContact O-N 2.82Å; I29-I43 HydrophobicContact CD1-CD1 4.29Å; I29-I43 HydrophobicContact CG1-CD1 4.31Å; I29-I43 HydrophobicContact CG1-CG1 4.29Å; I29-V303 HydrophobicContact CG2-CG2 4.37Å; I29-V309 HydrophobicContact CD1-CG1 3.66Å; I29-V309 HydrophobicContact CD1-CG2 4.26Å; I29-V309 HydrophobicContact CG2-CG2 4.21Å; I29-I317 HydrophobicContact CD1-CG2 4.23Å; I29-I319 HydrophobicContact CD1-CD1 4.1Å |
| 30 | V | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 140.7 | 176 | -168.2 | 0 | 0 | 0 | 0 | 108.7 | V21 A22 L24 R39 V66 I77 | V21-V30 CarbonylContact C-O 3.5Å; V21-V30 VanDerWaalsContact CA-O 3.25Å; V21-V30 WeakPolarHBondContact CA-O 3.39Å; A22-V30 PolarHBondContact N-O 3.49Å; A22-V30 PolarHBondContact O-N 2.97Å; L24-V30 HydrophobicContact CD1-CG2 3.44Å; L24-V30 VanDerWaalsContact CD1-CG2 3.44Å; L24-V30 HydrophobicContact CD2-CG2 4.48Å; L24-V30 HydrophobicContact CG-CG2 3.77Å; V30-R39 CarbonylContact C-O 3.52Å; V30-R39 VanDerWaalsContact CA-O 3.23Å; V30-R39 WeakPolarHBondContact CA-O 3.38Å; V30-R39 WeakPolarHBondContact CG1-O 3.45Å; V30-V66 HydrophobicContact CB-CG2 4.16Å; V30-V66 HydrophobicContact CG1-CG2 3.68Å; V30-I77 HydrophobicContact CG1-CD1 4.32Å; V30-I77 HydrophobicContact CG1-CG2 3.84Å; V30-I77 HydrophobicContact CG2-CD1 3.73Å; V30-I77 HydrophobicContact CG2-CG1 4.08Å |
| 31 | S | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 156.9 | 173.2 | 60.8 | 0 | 0 | 0 | 0 | 111.5 | H14 A20 A38 R39 W41 I317 | H14-S31 PolarHBondContact CD2-OG 2.93Å; H14-S31 PolarHBondContact NE2-OG 3.26Å; A20-S31 CarbonylContact O-C 3.48Å; A20-S31 VanDerWaalsContact O-CA 3.3Å; A20-S31 WeakPolarHBondContact O-CA 3.2Å; S31-A38 CarbonylContact O-C 3.57Å; S31-A38 WeakPolarHBondContact O-CA 3.11Å; S31-A38 WeakPolarHBondContact O-CB 3.24Å; S31-R39 PolarHBondContact N-O 3.09Å; S31-R39 PolarHBondContact O-N 3.31Å; S31-W41 PolarHBondContact OG-NE1 2.86Å; S31-I317 VanDerWaalsContact CB-CD1 3.46Å; S31-I317 WeakPolarHBondContact OG-CD1 3.41Å |
| 32 | A | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 142 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | V18 R19 A20 A38 V63 V66 | V18-A32 CarbonylContact C-O 3.57Å; R19-A32 PolarHBondContact N-O 2.92Å; A20-A32 HydrophobicContact CB-CB 4.29Å; A20-A32 PolarHBondContact N-O 3.33Å; A20-A32 PolarHBondContact O-N 2.89Å; A32-A38 HydrophobicContact CB-CB 4.43Å; A32-V63 HydrophobicContact CB-CB 3.91Å; A32-V63 HydrophobicContact CB-CG1 3.54Å; A32-V66 HydrophobicContact CB-CB 4.16Å; A32-V66 HydrophobicContact CB-CG1 4.35Å |
| 33 | S | 98.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 161.7 | -172.4 | 171.6 | 0 | 0 | 0 | 0 | 113.3 | H14 S16 D17 D35 L36 T37 V63 | H14-S33 WeakPolarHBondContact CE1-CB 3.47Å; H14-S33 VanDerWaalsContact CG-CB 3.49Å; H14-S33 WeakPolarHBondContact ND1-CB 3.49Å; S16-S33 PolarHBondContact O-OG 2.8Å; D17-S33 VanDerWaalsContact O-CA 3.23Å; D17-S33 WeakPolarHBondContact O-CA 3.36Å; D17-S33 WeakPolarHBondContact O-CB 3.43Å; D17-S33 PolarHBondContact O-OG 2.86Å; S33-D35 VanDerWaalsContact CB-OD1 3.31Å; S33-D35 WeakPolarHBondContact CB-OD1 3.39Å; S33-D35 PolarHBondContact O-N 2.81Å; S33-D35 PolarHBondContact OG-N 3.32Å; S33-D35 PolarHBondContact OG-OD1 2.86Å; S33-L36 PolarHBondContact O-N 3.02Å; S33-T37 PolarHBondContact N-O 2.9Å; S33-V63 PolarHBondContact O-N 2.91Å |
| 34 | R | 97.2 | Very high | 94.1 | Very high | 56 Ų | 56 | 27.2 Ų | 27.2 | 21% | 0.211 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -7.4 | 166.7 | -65.3 | -172.1 | -175.8 | 173.3 | 0.8 | 113.6 | S16 D17 R19 L36 Y62 N484 | S16-R34 WeakPolarHBondContact OG-CB 3.44Å; D17-R34 HydrophobicContact CB-CB 4.49Å; D17-R34 HydrophobicContact CB-CG 4.04Å; D17-R34 PolarHBondContact O-N 2.87Å; D17-R34 IonicContact OD1-NH1 3.94Å; D17-R34 IonicContact OD2-CZ 2.78Å; D17-R34 IonicContact OD2-NH1 3.41Å; R19-R34 HydrophobicContact CG-CG 3.82Å; R34-L36 PolarHBondContact O-N 3.38Å; R34-Y62 HydrophobicContact CB-CD1 3.85Å; R34-Y62 HydrophobicContact CB-CD2 4.12Å; R34-Y62 HydrophobicContact CB-CE1 4.21Å; R34-Y62 HydrophobicContact CB-CE2 4.42Å; R34-Y62 HydrophobicContact CB-CG 3.83Å; R34-Y62 HydrophobicContact CG-CD1 4.32Å; R34-Y62 HydrophobicContact CG-CD2 3.69Å; R34-Y62 HydrophobicContact CG-CE2 4.14Å; R34-Y62 HydrophobicContact CG-CG 3.79Å; R34-Y62 WeakPolarHBondContact O-CD1 3.3Å; R34-Y62 WeakPolarHBondContact O-CE1 3.42Å; R34-N484 PolarHBondContact O-ND2 2.8Å; R34-N484 VanDerWaalsContact O-ND2 3.08Å |
| 35 | D | 94.3 | Very high | 93.8 | Very high | 24 Ų | 24 | 32.3 Ų | 32.3 | 13% | 0.128 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 13.8 | 171.8 | 78.2 | -2.9 | 0 | 0 | 0 | 114.3 | H14 K15 S33 T37 R39 | H14-D35 WeakPolarHBondContact CA-OD2 3.4Å; H14-D35 IonicContact CE1-OD1 2.7Å; H14-D35 IonicContact CE1-OD2 3.67Å; H14-D35 IonicContact CG-OD2 3.75Å; H14-D35 VanDerWaalsContact ND1-CG 3.29Å; H14-D35 IonicContact ND1-OD1 3.55Å; H14-D35 PolarHBondContact ND1-OD1 2.84Å; H14-D35 VanDerWaalsContact ND1-OD1 3.13Å; H14-D35 IonicContact ND1-OD2 2.73Å; H14-D35 PolarHBondContact ND1-OD2 3.19Å; K15-D35 HydrophobicContact CB-CB 4.04Å; K15-D35 PolarHBondContact N-OD2 3.26Å; S33-D35 VanDerWaalsContact CB-OD1 3.31Å; S33-D35 WeakPolarHBondContact CB-OD1 3.39Å; S33-D35 PolarHBondContact O-N 2.81Å; S33-D35 PolarHBondContact OG-N 3.32Å; S33-D35 PolarHBondContact OG-OD1 2.86Å; D35-T37 VanDerWaalsContact CG-OG1 3.3Å; D35-T37 PolarHBondContact O-N 2.82Å; D35-T37 WeakPolarHBondContact OD1-CB 3.35Å; D35-T37 PolarHBondContact OD1-N 2.98Å; D35-T37 PolarHBondContact OD1-OG1 2.93Å; D35-T37 PolarHBondContact OD2-OG1 3.42Å; D35-R39 IonicContact OD2-NH2 3.97Å; D35-R39 PolarHBondContact OD2-NH2 2.75Å |
| 36 | L | 96.6 | Very high | 93 | Very high | 63 Ų | 63 | 38 Ų | 38 | 33% | 0.33 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 73 | 2.1 | 179.8 | -41.5 | -177.6 | 0 | 0 | 0 | 114.7 | S33 R34 N61 Y62 V63 | S33-L36 PolarHBondContact O-N 3.02Å; R34-L36 PolarHBondContact O-N 3.38Å; L36-N61 VanDerWaalsContact CD2-CA 3.41Å; L36-Y62 HydrophobicContact CD2-CD1 4.03Å; L36-V63 WeakPolarHBondContact O-CG2 3.44Å |
| 37 | T | 97 | Very high | 92.3 | Very high | 15 Ų | 15 | 35.3 Ų | 35.3 | 9% | 0.092 | 17% | 0.173 | C | C | . | . | trans | -113.4 | 154.3 | -176.3 | 72.9 | 0 | 0 | 0 | 0 | 112.4 | H14 S33 D35 R39 V55 L57 | H14-T37 PolarHBondContact CE1-OG1 2.96Å; H14-T37 PolarHBondContact ND1-OG1 3.45Å; S33-T37 PolarHBondContact N-O 2.9Å; D35-T37 VanDerWaalsContact CG-OG1 3.3Å; D35-T37 PolarHBondContact O-N 2.82Å; D35-T37 WeakPolarHBondContact OD1-CB 3.35Å; D35-T37 PolarHBondContact OD1-N 2.98Å; D35-T37 PolarHBondContact OD1-OG1 2.93Å; D35-T37 PolarHBondContact OD2-OG1 3.42Å; T37-R39 PolarHBondContact OG1-NE 3.41Å; T37-V55 HydrophobicContact CG2-CG1 3.67Å; T37-L57 HydrophobicContact CG2-CD2 3.98Å | ||
| 38 | A | 97.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 2% | 0.017 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 154.7 | 153.4 | 0 | 0 | 0 | 0 | 0 | 109 | S31 A32 L56 T79 | S31-A38 CarbonylContact O-C 3.57Å; S31-A38 WeakPolarHBondContact O-CA 3.11Å; S31-A38 WeakPolarHBondContact O-CB 3.24Å; A32-A38 HydrophobicContact CB-CB 4.43Å; A38-L56 HydrophobicContact CB-CB 4.1Å; A38-L56 HydrophobicContact CB-CD1 4.07Å; A38-L56 HydrophobicContact CB-CG 4.49Å; A38-L56 PolarHBondContact N-O 3.01Å; A38-L56 WeakPolarHBondContact O-CA 3.33Å; A38-L56 WeakPolarHBondContact O-CB 3.35Å; A38-L56 PolarHBondContact O-N 3.5Å; A38-T79 HydrophobicContact CB-CG2 3.63Å |
| 39 | R | 96.4 | Very high | 91 | Very high | 22 Ų | 22 | 35 Ų | 35 | 8% | 0.083 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 139.4 | -177.1 | -65.4 | -177.3 | -172.2 | -151.3 | 15.2 | 111.1 | G13 H14 V30 S31 D35 T37 W41 E52 M54 V55 | G13-R39 PolarHBondContact O-NH1 3.46Å; G13-R39 PolarHBondContact O-NH2 3.22Å; H14-R39 PolarHBondContact ND1-NE 3.07Å; V30-R39 CarbonylContact C-O 3.52Å; V30-R39 VanDerWaalsContact CA-O 3.23Å; V30-R39 WeakPolarHBondContact CA-O 3.38Å; V30-R39 WeakPolarHBondContact CG1-O 3.45Å; S31-R39 PolarHBondContact N-O 3.09Å; S31-R39 PolarHBondContact O-N 3.31Å; D35-R39 IonicContact OD2-NH2 3.97Å; D35-R39 PolarHBondContact OD2-NH2 2.75Å; T37-R39 PolarHBondContact OG1-NE 3.41Å; R39-W41 HydrophobicContact CB-CZ2 3.77Å; R39-W41 HydrophobicContact CG-CZ2 4.37Å; R39-W41 PolarHBondContact O-NE1 3.13Å; R39-E52 WeakPolarHBondContact CD-OE2 3.21Å; R39-E52 IonicContact CZ-OE2 2.68Å; R39-E52 IonicContact NE-OE2 3.83Å; R39-E52 IonicContact NH1-OE2 3.95Å; R39-E52 PolarHBondContact NH1-OE2 2.87Å; R39-M54 CarbonylContact C-O 3.57Å; R39-M54 WeakPolarHBondContact CA-O 3.32Å; R39-V55 HydrophobicContact CG-CB 4.46Å; R39-V55 HydrophobicContact CG-CG1 4.22Å; R39-V55 HydrophobicContact CG-CG2 4.21Å |
| 40 | I | 95.2 | Very high | 90.5 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 134.2 | 171.3 | -54.1 | 177.6 | 0 | 0 | 0 | 107.7 | L24 D53 M54 L56 I77 | L24-I40 HydrophobicContact CD1-CG2 4.36Å; I40-D53 HydrophobicContact CB-CB 4.23Å; I40-D53 HydrophobicContact CG2-CB 4.1Å; I40-D53 WeakPolarHBondContact O-CB 3.43Å; I40-D53 PolarHBondContact O-N 3.04Å; I40-M54 HydrophobicContact CB-CB 4.4Å; I40-M54 HydrophobicContact CD1-CB 4.29Å; I40-M54 HydrophobicContact CD1-CE 4.08Å; I40-M54 HydrophobicContact CD1-SD 4.43Å; I40-M54 PolarHBondContact N-O 2.99Å; I40-M54 PolarHBondContact O-N 2.69Å; I40-L56 HydrophobicContact CD1-CD2 4.21Å; I40-L56 HydrophobicContact CG1-CD1 4.34Å; I40-L56 HydrophobicContact CG1-CD2 4.49Å; I40-L56 HydrophobicContact CG1-CG 4.43Å; I40-I77 HydrophobicContact CD1-CD1 3.37Å; I40-I77 HydrophobicContact CG1-CD1 3.55Å |
| 41 | W | 94.8 | Very high | 90.1 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 134.6 | 179.9 | -47.8 | 81.3 | 0 | 0 | 0 | 110.2 | L11 R28 I29 S31 R39 I43 C51 E52 I317 | L11-W41 HydrophobicContact CB-CD2 4.39Å; L11-W41 HydrophobicContact CB-CE3 3.81Å; L11-W41 HydrophobicContact CB-CH2 4.31Å; L11-W41 HydrophobicContact CB-CZ3 3.77Å; L11-W41 HydrophobicContact CD1-CB 4.01Å; L11-W41 HydrophobicContact CD1-CD2 3.84Å; L11-W41 HydrophobicContact CD1-CE3 3.86Å; L11-W41 HydrophobicContact CD1-CG 3.91Å; L11-W41 HydrophobicContact CG-CE3 4.32Å; R28-W41 WeakPolarHBondContact CA-O 3.38Å; I29-W41 HydrophobicContact CD1-CB 4.36Å; I29-W41 HydrophobicContact CD1-CG 4.43Å; I29-W41 HydrophobicContact CG1-CB 3.71Å; I29-W41 HydrophobicContact CG1-CG 4.07Å; I29-W41 PolarHBondContact N-O 3.31Å; I29-W41 VanDerWaalsContact N-O 3.15Å; I29-W41 PolarHBondContact O-N 2.82Å; S31-W41 PolarHBondContact OG-NE1 2.86Å; R39-W41 HydrophobicContact CB-CZ2 3.77Å; R39-W41 HydrophobicContact CG-CZ2 4.37Å; R39-W41 PolarHBondContact O-NE1 3.13Å; W41-I43 HydrophobicContact CB-CD1 4.21Å; W41-C51 WeakPolarHBondContact CA-O 3.4Å; W41-E52 HydrophobicContact CE3-CB 4.03Å; W41-E52 HydrophobicContact CZ3-CB 3.88Å; W41-I317 HydrophobicContact CD2-CD1 4.29Å; W41-I317 VanDerWaalsContact CE2-CD1 3.47Å; W41-I317 HydrophobicContact CH2-CD1 4.42Å; W41-I317 HydrophobicContact CZ2-CD1 3.55Å |
| 42 | N | 92.9 | Very high | 89.8 | Confident | 41 Ų | 41 | 39.3 Ų | 39.3 | 22% | 0.219 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 124.2 | 167.2 | -70.4 | -47 | 0 | 0 | 0 | 108.4 | T27 R28 G50 C51 D53 | T27-N42 WeakPolarHBondContact O-CA 3.08Å; R28-N42 WeakPolarHBondContact CG-OD1 3.48Å; R28-N42 PolarHBondContact NE-OD1 3.24Å; R28-N42 PolarHBondContact NH2-OD1 2.97Å; R28-N42 VanDerWaalsContact NH2-OD1 3.1Å; N42-G50 CarbonylContact O-C 3.59Å; N42-G50 WeakPolarHBondContact O-CA 3.5Å; N42-C51 PolarHBondContact N-O 3.36Å; N42-C51 PolarHBondContact O-N 3.44Å; N42-D53 WeakPolarHBondContact ND2-CB 3.27Å; N42-D53 PolarHBondContact ND2-OD1 3.02Å; N42-D53 PolarHBondContact ND2-OD2 3.15Å |
| 43 | I | 91.3 | Very high | 89.4 | Confident | 9 Ų | 9 | 41.6 Ų | 41.6 | 5% | 0.046 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 135.8 | 174.7 | -47.4 | -54.4 | 0 | 0 | 0 | 107.3 | L11 T27 I29 W41 I319 | L11-I43 HydrophobicContact CD1-CD1 3.63Å; L11-I43 HydrophobicContact CD2-CD1 4.06Å; L11-I43 HydrophobicContact CG-CD1 4.43Å; T27-I43 VanDerWaalsContact CB-O 3.26Å; T27-I43 WeakPolarHBondContact CB-O 3.49Å; T27-I43 PolarHBondContact O-N 2.9Å; I29-I43 HydrophobicContact CD1-CD1 4.29Å; I29-I43 HydrophobicContact CG1-CD1 4.31Å; I29-I43 HydrophobicContact CG1-CG1 4.29Å; W41-I43 HydrophobicContact CB-CD1 4.21Å; I43-I319 HydrophobicContact CD1-CD1 3.51Å; I43-I319 HydrophobicContact CG1-CD1 3.78Å; I43-I319 HydrophobicContact CG2-CD1 4.14Å |
| 44 | S | 86.4 | Confident | 89.1 | Confident | 38 Ų | 38 | 43 Ų | 43 | 27% | 0.266 | 23% | 0.226 | S | C | . | . | trans | -55.7 | 148.2 | 176.7 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | R8 E46 D49 | R8-S44 PolarHBondContact NH2-O 3.16Å; S44-E46 PolarHBondContact OG-N 3.46Å; S44-E46 PolarHBondContact OG-O 3Å; S44-D49 WeakPolarHBondContact CB-OD1 3.4Å; S44-D49 PolarHBondContact N-O 3.15Å | ||
| 45 | K | 83.2 | Confident | 89 | Confident | 158 Ų | 158 | 41.8 Ų | 41.8 | 69% | 0.687 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -73 | -43.4 | 174.8 | -170.2 | 178.4 | 178 | -177.4 | 0 | 111 | T27 | T27-K45 HydrophobicContact CG2-CB 3.89Å; T27-K45 HydrophobicContact CG2-CG 4.18Å |
| 46 | E | 73.4 | Confident | 89.1 | Confident | 163 Ų | 163 | 40.7 Ų | 40.7 | 76% | 0.762 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -128 | 98.4 | -179.6 | -66.7 | 179.1 | -167.7 | 0 | 0 | 106.7 | S44 | S44-E46 PolarHBondContact OG-N 3.46Å; S44-E46 PolarHBondContact OG-O 3Å |
| 47 | G | 71.9 | Confident | 89 | Confident | 18 Ų | 18 | 41.8 Ų | 41.8 | 19% | 0.186 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 154.3 | 177.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R8 | R8-G47 PolarHBondContact NE-O 2.9Å; R8-G47 PolarHBondContact NH2-O 2.88Å |
| 48 | C | 77.8 | Confident | 88.7 | Confident | 61 Ų | 61 | 42.8 Ų | 42.8 | 41% | 0.412 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -116 | 29.5 | -175.1 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | R8 C9 | R8-C48 WeakPolarHBondContact O-CB 3.41Å; C9-C48 WeakPolarHBondContact CB-O 3.47Å |
| 49 | D | 79.4 | Confident | 88.6 | Confident | 59 Ų | 59 | 43.2 Ų | 43.2 | 32% | 0.316 | 24% | 0.239 | S | C | . | . | trans | -129.5 | 157.1 | -177.3 | 61.7 | -25.3 | 0 | 0 | 0 | 112.6 | S44 P855 | S44-D49 WeakPolarHBondContact CB-OD1 3.4Å; S44-D49 PolarHBondContact N-O 3.15Å; D49-P855 HydrophobicContact CB-CB 3.81Å; D49-P855 HydrophobicContact CB-CG 4.4Å; D49-P855 WeakPolarHBondContact OD2-CB 3.45Å | ||
| 50 | G | 84.6 | Confident | 88.6 | Confident | 16 Ų | 16 | 47.4 Ų | 47.4 | 17% | 0.165 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 156.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | N42 | N42-G50 CarbonylContact O-C 3.59Å; N42-G50 WeakPolarHBondContact O-CA 3.5Å |
| 51 | C | 87.5 | Confident | 88.6 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 17% | 0.169 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 154.4 | 179.4 | 69 | 0 | 0 | 0 | 0 | 110.7 | W41 N42 D53 | W41-C51 WeakPolarHBondContact CA-O 3.4Å; N42-C51 PolarHBondContact N-O 3.36Å; N42-C51 PolarHBondContact O-N 3.44Å; C51-D53 PolarHBondContact O-N 2.69Å |
| 52 | E | 92.5 | Very high | 88.7 | Confident | 50 Ų | 50 | 52 Ų | 52 | 23% | 0.234 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 131.6 | 167 | -179.7 | -179.4 | 111.6 | 0 | 0 | 109.9 | R39 W41 V55 | R39-E52 WeakPolarHBondContact CD-OE2 3.21Å; R39-E52 IonicContact CZ-OE2 2.68Å; R39-E52 IonicContact NE-OE2 3.83Å; R39-E52 IonicContact NH1-OE2 3.95Å; R39-E52 PolarHBondContact NH1-OE2 2.87Å; W41-E52 HydrophobicContact CE3-CB 4.03Å; W41-E52 HydrophobicContact CZ3-CB 3.88Å; E52-V55 HydrophobicContact CG-CG2 4.43Å; E52-V55 WeakPolarHBondContact OE1-CG2 3.43Å |
| 53 | D | 89.9 | Confident | 88.9 | Confident | 48 Ų | 48 | 50.1 Ų | 50.1 | 26% | 0.257 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -50.3 | 173 | -164.4 | 23.8 | 0 | 0 | 0 | 110.4 | R28 I40 N42 C51 | R28-D53 IonicContact CZ-OD2 3.06Å; R28-D53 IonicContact NH1-OD2 3.31Å; R28-D53 IonicContact NH2-OD2 3.09Å; R28-D53 PolarHBondContact NH2-OD2 2.92Å; I40-D53 HydrophobicContact CB-CB 4.23Å; I40-D53 HydrophobicContact CG2-CB 4.1Å; I40-D53 WeakPolarHBondContact O-CB 3.43Å; I40-D53 PolarHBondContact O-N 3.04Å; N42-D53 WeakPolarHBondContact ND2-CB 3.27Å; N42-D53 PolarHBondContact ND2-OD1 3.02Å; N42-D53 PolarHBondContact ND2-OD2 3.15Å; C51-D53 PolarHBondContact O-N 2.69Å |
| 54 | M | 92.4 | Very high | 89.2 | Confident | 29 Ų | 29 | 50 Ų | 50 | 14% | 0.143 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 144.3 | -173 | -164.6 | -167.7 | -45.4 | 0 | 0 | 111.8 | R39 I40 L56 S91 S93 P94 | R39-M54 CarbonylContact C-O 3.57Å; R39-M54 WeakPolarHBondContact CA-O 3.32Å; I40-M54 HydrophobicContact CB-CB 4.4Å; I40-M54 HydrophobicContact CD1-CB 4.29Å; I40-M54 HydrophobicContact CD1-CE 4.08Å; I40-M54 HydrophobicContact CD1-SD 4.43Å; I40-M54 PolarHBondContact N-O 2.99Å; I40-M54 PolarHBondContact O-N 2.69Å; M54-L56 HydrophobicContact CG-CD2 4.45Å; M54-L56 HydrophobicContact SD-CD2 3.72Å; M54-S91 WeakPolarHBondContact CE-O 3.4Å; M54-S93 VanDerWaalsContact SD-C 3.5Å; M54-P94 HydrophobicContact CG-CB 4.42Å; M54-P94 HydrophobicContact SD-CB 4.43Å |
| 55 | V | 94.3 | Very high | 89.7 | Confident | 32 Ų | 32 | 48.4 Ų | 48.4 | 19% | 0.194 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 117.4 | 170 | -171.9 | 0 | 0 | 0 | 0 | 108.9 | T37 R39 E52 L57 P94 | T37-V55 HydrophobicContact CG2-CG1 3.67Å; R39-V55 HydrophobicContact CG-CB 4.46Å; R39-V55 HydrophobicContact CG-CG1 4.22Å; R39-V55 HydrophobicContact CG-CG2 4.21Å; E52-V55 HydrophobicContact CG-CG2 4.43Å; E52-V55 WeakPolarHBondContact OE1-CG2 3.43Å; V55-L57 HydrophobicContact CG1-CD2 3.72Å; V55-L57 HydrophobicContact CG1-CG 4.38Å; V55-P94 WeakPolarHBondContact O-CB 3.39Å |
| 56 | L | 95.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 124.9 | 175.2 | -53.8 | 180 | 0 | 0 | 0 | 109.1 | A38 I40 M54 I77 Y89 | A38-L56 HydrophobicContact CB-CB 4.1Å; A38-L56 HydrophobicContact CB-CD1 4.07Å; A38-L56 HydrophobicContact CB-CG 4.49Å; A38-L56 PolarHBondContact N-O 3.01Å; A38-L56 WeakPolarHBondContact O-CA 3.33Å; A38-L56 WeakPolarHBondContact O-CB 3.35Å; A38-L56 PolarHBondContact O-N 3.5Å; I40-L56 HydrophobicContact CD1-CD2 4.21Å; I40-L56 HydrophobicContact CG1-CD1 4.34Å; I40-L56 HydrophobicContact CG1-CD2 4.49Å; I40-L56 HydrophobicContact CG1-CG 4.43Å; M54-L56 HydrophobicContact CG-CD2 4.45Å; M54-L56 HydrophobicContact SD-CD2 3.72Å; L56-I77 HydrophobicContact CD1-CB 4.24Å; L56-I77 HydrophobicContact CD1-CD1 4.01Å; L56-I77 HydrophobicContact CD1-CG2 3.76Å; L56-Y89 HydrophobicContact CB-CD1 3.96Å; L56-Y89 HydrophobicContact CB-CE1 3.86Å; L56-Y89 HydrophobicContact CB-CG 4.32Å; L56-Y89 HydrophobicContact CD1-CD1 4.4Å; L56-Y89 HydrophobicContact CD1-CD2 4.02Å; L56-Y89 HydrophobicContact CD1-CG 3.95Å; L56-Y89 HydrophobicContact CD2-CD1 3.92Å; L56-Y89 HydrophobicContact CD2-CG 4.07Å; L56-Y89 HydrophobicContact CG-CD1 4.31Å; L56-Y89 HydrophobicContact CG-CG 4.34Å |
| 57 | L | 94.1 | Very high | 91.5 | Very high | 86 Ų | 86 | 34.3 Ų | 34.3 | 45% | 0.45 | 21% | 0.208 | S | C | . | . | B | Isolated β-bridge | trans | -117.9 | 157.9 | -168 | -62.9 | 176.4 | 0 | 0 | 0 | 112.7 | T37 V55 Y89 P94 | T37-L57 HydrophobicContact CG2-CD2 3.98Å; V55-L57 HydrophobicContact CG1-CD2 3.72Å; V55-L57 HydrophobicContact CG1-CG 4.38Å; L57-Y89 PolarHBondContact O-OH 2.75Å; L57-P94 PolarHBondContact N-O 2.57Å |
| 58 | G | 91.4 | Very high | 92.5 | Very high | 35 Ų | 35 | 34.8 Ų | 34.8 | 36% | 0.361 | 21% | 0.208 | S | C | . | . | trans | 120 | -10.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | R87 | G58-R87 VanDerWaalsContact C-NH1 3.26Å; G58-R87 VanDerWaalsContact CA-NH1 3.29Å; G58-R87 PolarHBondContact O-NH1 3.35Å; G58-R87 PolarHBondContact O-NH2 2.84Å | ||
| 59 | H | 96.4 | Very high | 93.2 | Very high | 11 Ų | 11 | 32.3 Ų | 32.3 | 5% | 0.051 | 19% | 0.19 | C | C | . | . | trans | -61.4 | 143 | 163.7 | -81.6 | -61.2 | 0 | 0 | 0 | 110.4 | V63 T79 S81 D83 | H59-V63 HydrophobicContact CB-CG2 3.98Å; H59-T79 PolarHBondContact CD2-OG1 3.31Å; H59-T79 VanDerWaalsContact CD2-OG1 3.31Å; H59-T79 PolarHBondContact NE2-OG1 2.85Å; H59-S81 WeakPolarHBondContact CE1-CB 3.22Å; H59-S81 WeakPolarHBondContact ND1-CB 3.4Å; H59-D83 VanDerWaalsContact CA-OD2 3.3Å; H59-D83 WeakPolarHBondContact CA-OD2 3.47Å; H59-D83 WeakPolarHBondContact CB-OD2 3.34Å; H59-D83 IonicContact CE1-OD1 2.68Å; H59-D83 IonicContact CE1-OD2 3.97Å; H59-D83 IonicContact CG-OD2 3.44Å; H59-D83 VanDerWaalsContact ND1-CG 3.28Å; H59-D83 IonicContact ND1-OD1 3.38Å; H59-D83 PolarHBondContact ND1-OD1 2.81Å; H59-D83 VanDerWaalsContact ND1-OD1 3.14Å; H59-D83 IonicContact ND1-OD2 3.88Å; H59-D83 PolarHBondContact ND1-OD2 3.45Å | ||
| 60 | T | 94.8 | Very high | 93.5 | Very high | 111 Ų | 111 | 37.2 Ų | 37.2 | 68% | 0.681 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -98.5 | -2.5 | -179.3 | 57.5 | 0 | 0 | 0 | 0 | 113 | D83 | T60-D83 PolarHBondContact N-OD2 2.86Å; T60-D83 VanDerWaalsContact N-OD2 3.12Å; T60-D83 WeakPolarHBondContact OG1-CB 3.43Å |
| 61 | N | 95.3 | Very high | 93.5 | Very high | 66 Ų | 66 | 37.8 Ų | 37.8 | 35% | 0.353 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -148 | 177 | 178 | -150 | -30.7 | 0 | 0 | 0 | 110.7 | L36 V63 S81 H82 D83 | L36-N61 VanDerWaalsContact CD2-CA 3.41Å; N61-V63 PolarHBondContact O-N 3.29Å; N61-S81 PolarHBondContact O-OG 3.31Å; N61-H82 HydrophobicContact CB-CB 3.88Å; N61-D83 HydrophobicContact CB-CB 4.14Å |
| 62 | Y | 96.3 | Very high | 93.1 | Very high | 36 Ų | 36 | 44 Ų | 44 | 14% | 0.141 | 24% | 0.237 | C | C | . | . | trans | -52.3 | 129.8 | -171 | -59.3 | -11.7 | 0 | 0 | 0 | 112.7 | R34 L36 S64 S81 H82 N484 | R34-Y62 HydrophobicContact CB-CD1 3.85Å; R34-Y62 HydrophobicContact CB-CD2 4.12Å; R34-Y62 HydrophobicContact CB-CE1 4.21Å; R34-Y62 HydrophobicContact CB-CE2 4.42Å; R34-Y62 HydrophobicContact CB-CG 3.83Å; R34-Y62 HydrophobicContact CG-CD1 4.32Å; R34-Y62 HydrophobicContact CG-CD2 3.69Å; R34-Y62 HydrophobicContact CG-CE2 4.14Å; R34-Y62 HydrophobicContact CG-CG 3.79Å; R34-Y62 WeakPolarHBondContact O-CD1 3.3Å; R34-Y62 WeakPolarHBondContact O-CE1 3.42Å; L36-Y62 HydrophobicContact CD2-CD1 4.03Å; Y62-S64 PolarHBondContact O-N 3Å; Y62-S81 VanDerWaalsContact O-CA 3.27Å; Y62-S81 WeakPolarHBondContact O-CA 3.21Å; Y62-S81 WeakPolarHBondContact O-CB 3.47Å; Y62-S81 PolarHBondContact O-OG 3.17Å; Y62-H82 PolarHBondContact O-N 3.45Å; Y62-H82 PolarHBondContact O-ND1 2.93Å; Y62-N484 HydrophobicContact CE1-CB 3.81Å; Y62-N484 WeakPolarHBondContact OH-CB 3.45Å; Y62-N484 PolarHBondContact OH-O 2.76Å | ||
| 63 | V | 97.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 113.5 | 175.1 | -164.6 | 0 | 0 | 0 | 0 | 108.4 | A32 S33 L36 H59 N61 T79 | A32-V63 HydrophobicContact CB-CB 3.91Å; A32-V63 HydrophobicContact CB-CG1 3.54Å; S33-V63 PolarHBondContact O-N 2.91Å; L36-V63 WeakPolarHBondContact O-CG2 3.44Å; H59-V63 HydrophobicContact CB-CG2 3.98Å; N61-V63 PolarHBondContact O-N 3.29Å; V63-T79 HydrophobicContact CG1-CG2 4.16Å |
| 64 | S | 96.9 | Very high | 92 | Very high | 6 Ų | 6 | 51 Ų | 51 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -24.8 | -170.6 | 22.9 | 0 | 0 | 0 | 0 | 114.6 | Y62 G80 H82 V107 | Y62-S64 PolarHBondContact O-N 3Å; S64-G80 PolarHBondContact N-O 3.49Å; S64-G80 PolarHBondContact OG-O 2.8Å; S64-H82 PolarHBondContact OG-ND1 3.38Å; S64-V107 PolarHBondContact OG-O 3.42Å |
| 65 | A | 97.7 | Very high | 91.6 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 147.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | T79 G80 L110 | A65-T79 CarbonylContact O-C 3.52Å; A65-T79 VanDerWaalsContact O-CA 3.29Å; A65-T79 WeakPolarHBondContact O-CA 3.45Å; A65-G80 PolarHBondContact N-O 3.14Å; A65-G80 VanDerWaalsContact N-O 3.1Å; A65-G80 PolarHBondContact O-N 3.03Å; A65-L110 HydrophobicContact CB-CB 4.43Å; A65-L110 HydrophobicContact CB-CD1 4.03Å; A65-L110 HydrophobicContact CB-CG 3.97Å |
| 66 | V | 97.6 | Very high | 91.4 | Very high | 13 Ų | 13 | 52.9 Ų | 52.9 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 140.5 | 171.4 | 66.8 | 0 | 0 | 0 | 0 | 110.3 | A20 A22 V30 A32 I77 L78 T79 | A20-V66 HydrophobicContact CB-CG1 3.82Å; A22-V66 HydrophobicContact CB-CG1 3.98Å; V30-V66 HydrophobicContact CB-CG2 4.16Å; V30-V66 HydrophobicContact CG1-CG2 3.68Å; A32-V66 HydrophobicContact CB-CB 4.16Å; A32-V66 HydrophobicContact CB-CG1 4.35Å; V66-I77 HydrophobicContact CG2-CG2 3.84Å; V66-L78 CarbonylContact C-O 3.59Å; V66-L78 VanDerWaalsContact CA-O 3.24Å; V66-L78 WeakPolarHBondContact CA-O 3.42Å; V66-T79 HydrophobicContact CG2-CG2 4.19Å |
| 67 | C | 96 | Very high | 91.4 | Very high | 13 Ų | 13 | 53 Ų | 53 | 9% | 0.088 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 162.8 | 167.7 | 71.8 | 0 | 0 | 0 | 0 | 110.9 | L78 L110 V112 | C67-L78 PolarHBondContact N-O 2.86Å; C67-L78 PolarHBondContact O-N 3.27Å; C67-L110 HydrophobicContact CB-CB 4.16Å; C67-V112 HydrophobicContact CB-CG2 4.36Å |
| 68 | C | 93.8 | Very high | 91.6 | Very high | 28 Ų | 28 | 49 Ų | 49 | 19% | 0.189 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 125 | -178.5 | -59.3 | 0 | 0 | 0 | 0 | 109.3 | L24 R76 V112 | L24-C68 HydrophobicContact CD2-CB 3.62Å; L24-C68 WeakPolarHBondContact CD2-SG 3.38Å; L24-C68 HydrophobicContact CG-CB 4.41Å; C68-R76 WeakPolarHBondContact CA-O 3.5Å; C68-V112 WeakPolarHBondContact O-CG2 3.46Å |
| 69 | Q | 92.2 | Very high | 91.9 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 113.1 | 179 | -178.3 | 177.9 | 42 | 0 | 0 | 109.1 | L71 C75 R76 L78 V112 S114 Q115 | Q69-L71 HydrophobicContact CG-CD2 4.28Å; Q69-C75 PolarHBondContact O-SG 2.91Å; Q69-C75 VanDerWaalsContact O-SG 3.38Å; Q69-R76 HydrophobicContact CB-CB 4.38Å; Q69-R76 PolarHBondContact N-O 2.99Å; Q69-R76 PolarHBondContact O-N 3.41Å; Q69-L78 HydrophobicContact CB-CD1 4.2Å; Q69-V112 HydrophobicContact CB-CG1 4.2Å; Q69-V112 HydrophobicContact CB-CG2 3.9Å; Q69-V112 HydrophobicContact CG-CG1 3.89Å; Q69-V112 HydrophobicContact CG-CG2 4.44Å; Q69-S114 PolarHBondContact NE2-O 3.27Å; Q69-Q115 VanDerWaalsContact NE2-C 3.27Å; Q69-Q115 PolarHBondContact NE2-O 2.61Å; Q69-Q115 VanDerWaalsContact NE2-O 3.09Å |
| 70 | E | 86.7 | Confident | 92 | Very high | 162 Ų | 162 | 46.8 Ų | 46.8 | 76% | 0.757 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 128.1 | 175.3 | -168.9 | 173.5 | -171.7 | 0 | 0 | 110 | Q115 | E70-Q115 WeakPolarHBondContact O-CG 3.23Å |
| 71 | L | 85.1 | Confident | 92.1 | Very high | 27 Ų | 27 | 41.5 Ų | 41.5 | 14% | 0.141 | 21% | 0.208 | C | C | . | . | trans | -115.8 | 169.5 | 172.7 | -56.1 | 177.8 | 0 | 0 | 0 | 109.2 | Q69 N73 E74 R76 Q115 | Q69-L71 HydrophobicContact CG-CD2 4.28Å; L71-N73 PolarHBondContact O-N 2.76Å; L71-N73 VanDerWaalsContact O-N 3.11Å; L71-E74 CarbonylContact C-O 3.52Å; L71-E74 WeakPolarHBondContact CA-O 3.46Å; L71-E74 HydrophobicContact CB-CG 4.11Å; L71-E74 VanDerWaalsContact CB-O 3.25Å; L71-E74 WeakPolarHBondContact CB-O 3.48Å; L71-E74 HydrophobicContact CD1-CG 3.74Å; L71-E74 WeakPolarHBondContact CD1-OE1 3.28Å; L71-E74 HydrophobicContact CG-CG 4.41Å; L71-E74 PolarHBondContact N-O 3.22Å; L71-R76 VanDerWaalsContact CD1-CD 3.46Å; L71-R76 HydrophobicContact CD1-CG 3.67Å; L71-R76 HydrophobicContact CG-CG 4.48Å; L71-Q115 HydrophobicContact CD2-CB 3.79Å; L71-Q115 HydrophobicContact CD2-CG 4.34Å; L71-Q115 WeakPolarHBondContact CD2-O 3.5Å | ||
| 72 | E | 78 | Confident | 92.3 | Very high | 156 Ų | 156 | 39.9 Ų | 39.9 | 73% | 0.729 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -54.5 | -34.9 | -175.6 | -64.2 | -176 | 163.6 | 0 | 0 | 114.3 | ||
| 73 | N | 76.7 | Confident | 92.3 | Very high | 162 Ų | 162 | 39.2 Ų | 39.2 | 87% | 0.866 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -128.5 | -4.3 | -174.7 | -63.6 | -45 | 0 | 0 | 0 | 114.5 | L71 | L71-N73 PolarHBondContact O-N 2.76Å; L71-N73 VanDerWaalsContact O-N 3.11Å |
| 74 | E | 82.1 | Confident | 92.3 | Very high | 82 Ų | 82 | 44 Ų | 44 | 38% | 0.383 | 22% | 0.218 | S | C | . | . | trans | -150.4 | 163.7 | -176.5 | 67.5 | 176.4 | -171 | 0 | 0 | 110.7 | L71 R76 | L71-E74 CarbonylContact C-O 3.52Å; L71-E74 WeakPolarHBondContact CA-O 3.46Å; L71-E74 HydrophobicContact CB-CG 4.11Å; L71-E74 VanDerWaalsContact CB-O 3.25Å; L71-E74 WeakPolarHBondContact CB-O 3.48Å; L71-E74 HydrophobicContact CD1-CG 3.74Å; L71-E74 WeakPolarHBondContact CD1-OE1 3.28Å; L71-E74 HydrophobicContact CG-CG 4.41Å; L71-E74 PolarHBondContact N-O 3.22Å; E74-R76 IonicContact OE1-CZ 3.55Å; E74-R76 IonicContact OE1-NE 2.85Å; E74-R76 PolarHBondContact OE1-NE 3.42Å; E74-R76 IonicContact OE1-NH2 3.83Å | ||
| 75 | C | 85.2 | Confident | 92.4 | Very high | 40 Ų | 40 | 45.4 Ų | 45.4 | 27% | 0.27 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 132.4 | 166.4 | -171.5 | 0 | 0 | 0 | 0 | 109.3 | L24 Q69 | L24-C75 HydrophobicContact CD2-CB 4.04Å; L24-C75 WeakPolarHBondContact CD2-SG 3.3Å; Q69-C75 PolarHBondContact O-SG 2.91Å; Q69-C75 VanDerWaalsContact O-SG 3.38Å |
| 76 | R | 90.3 | Very high | 92.4 | Very high | 62 Ų | 62 | 45.3 Ų | 45.3 | 23% | 0.234 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 136.5 | 173 | -72.2 | -178.5 | -175.3 | -177.7 | 6.7 | 110.2 | C68 Q69 L71 E74 Y89 E133 | C68-R76 WeakPolarHBondContact CA-O 3.5Å; Q69-R76 HydrophobicContact CB-CB 4.38Å; Q69-R76 PolarHBondContact N-O 2.99Å; Q69-R76 PolarHBondContact O-N 3.41Å; L71-R76 VanDerWaalsContact CD1-CD 3.46Å; L71-R76 HydrophobicContact CD1-CG 3.67Å; L71-R76 HydrophobicContact CG-CG 4.48Å; E74-R76 IonicContact OE1-CZ 3.55Å; E74-R76 IonicContact OE1-NE 2.85Å; E74-R76 PolarHBondContact OE1-NE 3.42Å; E74-R76 IonicContact OE1-NH2 3.83Å; R76-Y89 WeakPolarHBondContact CA-O 3.48Å; R76-E133 IonicContact NH1-OE1 3.17Å; R76-E133 PolarHBondContact NH1-OE1 3.04Å |
| 77 | I | 95.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.015 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 131.2 | 172.7 | -61.6 | 166.9 | 0 | 0 | 0 | 107.5 | L24 V30 I40 L56 V66 T79 G88 Y89 | L24-I77 HydrophobicContact CD1-CD1 4.29Å; L24-I77 HydrophobicContact CD2-CG1 4.32Å; V30-I77 HydrophobicContact CG1-CD1 4.32Å; V30-I77 HydrophobicContact CG1-CG2 3.84Å; V30-I77 HydrophobicContact CG2-CD1 3.73Å; V30-I77 HydrophobicContact CG2-CG1 4.08Å; I40-I77 HydrophobicContact CD1-CD1 3.37Å; I40-I77 HydrophobicContact CG1-CD1 3.55Å; L56-I77 HydrophobicContact CD1-CB 4.24Å; L56-I77 HydrophobicContact CD1-CD1 4.01Å; L56-I77 HydrophobicContact CD1-CG2 3.76Å; V66-I77 HydrophobicContact CG2-CG2 3.84Å; I77-T79 HydrophobicContact CG2-CG2 4.38Å; I77-G88 CarbonylContact O-C 3.51Å; I77-G88 WeakPolarHBondContact O-CA 3.22Å; I77-Y89 PolarHBondContact N-O 2.9Å; I77-Y89 PolarHBondContact O-N 3.07Å |
| 78 | L | 97 | Very high | 92.4 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 132.5 | 178.7 | -65.6 | 161.7 | 0 | 0 | 0 | 109.4 | V66 C67 Q69 I86 R87 F98 L110 I118 | V66-L78 CarbonylContact C-O 3.59Å; V66-L78 VanDerWaalsContact CA-O 3.24Å; V66-L78 WeakPolarHBondContact CA-O 3.42Å; C67-L78 PolarHBondContact N-O 2.86Å; C67-L78 PolarHBondContact O-N 3.27Å; Q69-L78 HydrophobicContact CB-CD1 4.2Å; L78-I86 HydrophobicContact CD2-CG2 4.42Å; L78-R87 CarbonylContact C-O 3.53Å; L78-R87 VanDerWaalsContact CA-O 3.3Å; L78-R87 WeakPolarHBondContact CA-O 3.46Å; L78-F98 HydrophobicContact CD2-CE2 4.02Å; L78-F98 HydrophobicContact CD2-CZ 3.74Å; L78-L110 HydrophobicContact CB-CD1 4.28Å; L78-I118 HydrophobicContact CD1-CB 4.44Å; L78-I118 HydrophobicContact CD1-CD1 3.84Å; L78-I118 HydrophobicContact CD1-CG2 3.64Å; L78-I118 HydrophobicContact CD2-CD1 4.34Å |
| 79 | T | 98.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 139.8 | 178.7 | 62.1 | 0 | 0 | 0 | 0 | 111.2 | A38 H59 V63 A65 V66 I77 I86 R87 Y89 | A38-T79 HydrophobicContact CB-CG2 3.63Å; H59-T79 PolarHBondContact CD2-OG1 3.31Å; H59-T79 VanDerWaalsContact CD2-OG1 3.31Å; H59-T79 PolarHBondContact NE2-OG1 2.85Å; V63-T79 HydrophobicContact CG1-CG2 4.16Å; A65-T79 CarbonylContact O-C 3.52Å; A65-T79 VanDerWaalsContact O-CA 3.29Å; A65-T79 WeakPolarHBondContact O-CA 3.45Å; V66-T79 HydrophobicContact CG2-CG2 4.19Å; I77-T79 HydrophobicContact CG2-CG2 4.38Å; T79-I86 CarbonylContact O-C 3.53Å; T79-I86 WeakPolarHBondContact O-CA 3.48Å; T79-R87 PolarHBondContact N-O 2.83Å; T79-R87 PolarHBondContact O-N 2.88Å; T79-Y89 HydrophobicContact CG2-CD2 4.39Å; T79-Y89 HydrophobicContact CG2-CE2 3.92Å; T79-Y89 WeakPolarHBondContact OG1-CE2 3.15Å |
| 80 | G | 98.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 140.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | S64 A65 V107 | S64-G80 PolarHBondContact N-O 3.49Å; S64-G80 PolarHBondContact OG-O 2.8Å; A65-G80 PolarHBondContact N-O 3.14Å; A65-G80 VanDerWaalsContact N-O 3.1Å; A65-G80 PolarHBondContact O-N 3.03Å; G80-V107 CarbonylContact C-O 3.5Å; G80-V107 VanDerWaalsContact C-O 3.29Å |
| 81 | S | 98.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 168 | -172 | 171.1 | 0 | 0 | 0 | 0 | 113.5 | H59 N61 Y62 D83 K84 L85 V107 | H59-S81 WeakPolarHBondContact CE1-CB 3.22Å; H59-S81 WeakPolarHBondContact ND1-CB 3.4Å; N61-S81 PolarHBondContact O-OG 3.31Å; Y62-S81 VanDerWaalsContact O-CA 3.27Å; Y62-S81 WeakPolarHBondContact O-CA 3.21Å; Y62-S81 WeakPolarHBondContact O-CB 3.47Å; Y62-S81 PolarHBondContact O-OG 3.17Å; S81-D83 VanDerWaalsContact CB-OD1 3.22Å; S81-D83 WeakPolarHBondContact CB-OD1 3.19Å; S81-D83 PolarHBondContact O-N 2.94Å; S81-D83 PolarHBondContact OG-N 2.8Å; S81-D83 PolarHBondContact OG-OD1 3.29Å; S81-K84 PolarHBondContact O-N 3.49Å; S81-K84 VanDerWaalsContact O-N 3.16Å; S81-L85 PolarHBondContact N-O 3.41Å; S81-V107 PolarHBondContact N-O 2.85Å; S81-V107 PolarHBondContact O-N 2.95Å |
| 82 | H | 97.7 | Very high | 91.6 | Very high | 33 Ų | 33 | 47.5 Ų | 47.5 | 15% | 0.153 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -14.1 | 171.2 | -64.8 | 52.9 | 0 | 0 | 0 | 112.6 | N61 Y62 S64 K84 T106 | N61-H82 HydrophobicContact CB-CB 3.88Å; Y62-H82 PolarHBondContact O-N 3.45Å; Y62-H82 PolarHBondContact O-ND1 2.93Å; S64-H82 PolarHBondContact OG-ND1 3.38Å; H82-K84 PolarHBondContact O-N 3Å; H82-T106 HydrophobicContact CB-CG2 4.21Å; H82-T106 WeakPolarHBondContact ND1-CG2 3.18Å |
| 83 | D | 97.3 | Very high | 91.9 | Very high | 22 Ų | 22 | 41.8 Ų | 41.8 | 12% | 0.118 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 3.2 | 169 | 69.7 | 9 | 0 | 0 | 0 | 113.5 | H59 T60 N61 S81 L85 | H59-D83 VanDerWaalsContact CA-OD2 3.3Å; H59-D83 WeakPolarHBondContact CA-OD2 3.47Å; H59-D83 WeakPolarHBondContact CB-OD2 3.34Å; H59-D83 IonicContact CE1-OD1 2.68Å; H59-D83 IonicContact CE1-OD2 3.97Å; H59-D83 IonicContact CG-OD2 3.44Å; H59-D83 VanDerWaalsContact ND1-CG 3.28Å; H59-D83 IonicContact ND1-OD1 3.38Å; H59-D83 PolarHBondContact ND1-OD1 2.81Å; H59-D83 VanDerWaalsContact ND1-OD1 3.14Å; H59-D83 IonicContact ND1-OD2 3.88Å; H59-D83 PolarHBondContact ND1-OD2 3.45Å; T60-D83 PolarHBondContact N-OD2 2.86Å; T60-D83 VanDerWaalsContact N-OD2 3.12Å; T60-D83 WeakPolarHBondContact OG1-CB 3.43Å; N61-D83 HydrophobicContact CB-CB 4.14Å; S81-D83 VanDerWaalsContact CB-OD1 3.22Å; S81-D83 WeakPolarHBondContact CB-OD1 3.19Å; S81-D83 PolarHBondContact O-N 2.94Å; S81-D83 PolarHBondContact OG-N 2.8Å; S81-D83 PolarHBondContact OG-OD1 3.29Å; D83-L85 PolarHBondContact O-N 2.88Å; D83-L85 VanDerWaalsContact OD1-CB 3.3Å; D83-L85 WeakPolarHBondContact OD1-CB 3.33Å; D83-L85 PolarHBondContact OD1-N 3.23Å |
| 84 | K | 98 | Very high | 92.5 | Very high | 99 Ų | 99 | 36.6 Ų | 36.6 | 43% | 0.43 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 75.2 | 4.4 | 175.2 | -43 | 166.7 | -178.8 | -166.2 | 0 | 113.9 | S81 H82 K104 | S81-K84 PolarHBondContact O-N 3.49Å; S81-K84 VanDerWaalsContact O-N 3.16Å; H82-K84 PolarHBondContact O-N 3Å; K84-K104 WeakPolarHBondContact CD-O 3.21Å; K84-K104 VanDerWaalsContact CE-O 3.28Å; K84-K104 WeakPolarHBondContact CE-O 3.46Å; K84-K104 PolarHBondContact NZ-O 3.43Å; K84-K104 VanDerWaalsContact NZ-O 3.08Å |
| 85 | L | 98.1 | Very high | 93 | Very high | 37 Ų | 37 | 39.5 Ų | 39.5 | 19% | 0.194 | 20% | 0.201 | C | C | . | . | trans | -99.4 | 154.9 | -176.4 | -55.5 | 175.7 | 0 | 0 | 0 | 111.2 | S81 D83 T99 E101 | S81-L85 PolarHBondContact N-O 3.41Å; D83-L85 PolarHBondContact O-N 2.88Å; D83-L85 VanDerWaalsContact OD1-CB 3.3Å; D83-L85 WeakPolarHBondContact OD1-CB 3.33Å; D83-L85 PolarHBondContact OD1-N 3.23Å; L85-T99 HydrophobicContact CB-CG2 4.02Å; L85-T99 HydrophobicContact CD1-CG2 4.01Å; L85-T99 HydrophobicContact CD2-CG2 3.98Å; L85-T99 HydrophobicContact CG-CG2 4.22Å; L85-E101 HydrophobicContact CD2-CG 3.75Å | ||
| 86 | I | 98.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 128.5 | 162 | -56.4 | 164.6 | 0 | 0 | 0 | 107.5 | L78 T79 T99 L100 V107 L110 I118 W130 | L78-I86 HydrophobicContact CD2-CG2 4.42Å; T79-I86 CarbonylContact O-C 3.53Å; T79-I86 WeakPolarHBondContact O-CA 3.48Å; I86-T99 CarbonylContact O-C 3.32Å; I86-T99 WeakPolarHBondContact O-CA 3.33Å; I86-L100 HydrophobicContact CB-CB 4.08Å; I86-L100 HydrophobicContact CB-CD1 4.2Å; I86-L100 HydrophobicContact CB-CG 4.31Å; I86-L100 HydrophobicContact CD1-CD1 4.42Å; I86-L100 HydrophobicContact CG2-CD1 4.13Å; I86-L100 PolarHBondContact N-O 2.99Å; I86-L100 PolarHBondContact O-N 2.85Å; I86-V107 HydrophobicContact CD1-CG1 4.2Å; I86-V107 HydrophobicContact CG1-CB 4.42Å; I86-V107 HydrophobicContact CG1-CG1 3.9Å; I86-V107 HydrophobicContact CG1-CG2 4.2Å; I86-L110 HydrophobicContact CD1-CD2 3.92Å; I86-L110 HydrophobicContact CG1-CD2 4.2Å; I86-L110 HydrophobicContact CG2-CD2 4.24Å; I86-I118 HydrophobicContact CG2-CD1 4.44Å; I86-W130 HydrophobicContact CD1-CZ2 4.01Å |
| 87 | R | 97.5 | Very high | 93.5 | Very high | 46 Ų | 46 | 39.9 Ų | 39.9 | 17% | 0.174 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 138.5 | 178.1 | -72.1 | -179.9 | 172.6 | -126.8 | -3.3 | 110.8 | G58 L78 T79 Y89 A96 T99 | G58-R87 VanDerWaalsContact C-NH1 3.26Å; G58-R87 VanDerWaalsContact CA-NH1 3.29Å; G58-R87 PolarHBondContact O-NH1 3.35Å; G58-R87 PolarHBondContact O-NH2 2.84Å; L78-R87 CarbonylContact C-O 3.53Å; L78-R87 VanDerWaalsContact CA-O 3.3Å; L78-R87 WeakPolarHBondContact CA-O 3.46Å; T79-R87 PolarHBondContact N-O 2.83Å; T79-R87 PolarHBondContact O-N 2.88Å; R87-Y89 HydrophobicContact CB-CD2 4.49Å; R87-Y89 HydrophobicContact CB-CE2 3.54Å; R87-Y89 WeakPolarHBondContact CB-OH 3.4Å; R87-Y89 VanDerWaalsContact CD-OH 3.24Å; R87-Y89 WeakPolarHBondContact CD-OH 3.4Å; R87-A96 HydrophobicContact CB-CB 3.96Å; R87-A96 HydrophobicContact CG-CB 4.12Å; R87-T99 HydrophobicContact CG-CG2 4.39Å |
| 88 | G | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 133.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I77 A96 V97 F98 | I77-G88 CarbonylContact O-C 3.51Å; I77-G88 WeakPolarHBondContact O-CA 3.22Å; G88-A96 CarbonylContact O-C 3.59Å; G88-A96 WeakPolarHBondContact O-CA 3.38Å; G88-V97 PolarHBondContact O-N 3.22Å; G88-F98 PolarHBondContact N-O 2.58Å; G88-F98 PolarHBondContact O-N 2.94Å |
| 89 | Y | 94.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 150.7 | -179.2 | -54 | -98.8 | 0 | 0 | 0 | 110.2 | L56 L57 R76 I77 T79 R87 A96 | L56-Y89 HydrophobicContact CB-CD1 3.96Å; L56-Y89 HydrophobicContact CB-CE1 3.86Å; L56-Y89 HydrophobicContact CB-CG 4.32Å; L56-Y89 HydrophobicContact CD1-CD1 4.4Å; L56-Y89 HydrophobicContact CD1-CD2 4.02Å; L56-Y89 HydrophobicContact CD1-CG 3.95Å; L56-Y89 HydrophobicContact CD2-CD1 3.92Å; L56-Y89 HydrophobicContact CD2-CG 4.07Å; L56-Y89 HydrophobicContact CG-CD1 4.31Å; L56-Y89 HydrophobicContact CG-CG 4.34Å; L57-Y89 PolarHBondContact O-OH 2.75Å; R76-Y89 WeakPolarHBondContact CA-O 3.48Å; I77-Y89 PolarHBondContact N-O 2.9Å; I77-Y89 PolarHBondContact O-N 3.07Å; T79-Y89 HydrophobicContact CG2-CD2 4.39Å; T79-Y89 HydrophobicContact CG2-CE2 3.92Å; T79-Y89 WeakPolarHBondContact OG1-CE2 3.15Å; R87-Y89 HydrophobicContact CB-CD2 4.49Å; R87-Y89 HydrophobicContact CB-CE2 3.54Å; R87-Y89 WeakPolarHBondContact CB-OH 3.4Å; R87-Y89 VanDerWaalsContact CD-OH 3.24Å; R87-Y89 WeakPolarHBondContact CD-OH 3.4Å; Y89-A96 HydrophobicContact CD1-CB 4.21Å; Y89-A96 HydrophobicContact CE1-CB 3.77Å |
| 90 | N | 87.2 | Confident | 93.4 | Very high | 38 Ų | 38 | 44 Ų | 44 | 20% | 0.203 | 24% | 0.235 | C | C | . | . | trans | -100.5 | 171.4 | 163.2 | 65.8 | 29.7 | 0 | 0 | 0 | 109.6 | M92 S93 V97 | N90-M92 PolarHBondContact O-N 2.99Å; N90-M92 PolarHBondContact OD1-N 3.2Å; N90-S93 PolarHBondContact OD1-N 3.24Å; N90-S93 VanDerWaalsContact OD1-N 3.1Å; N90-V97 HydrophobicContact CB-CG2 4.1Å | ||
| 91 | S | 77.9 | Confident | 93.3 | Very high | 50 Ų | 50 | 51.1 Ų | 51.1 | 35% | 0.35 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 9.9 | -179.8 | 54.9 | 0 | 0 | 0 | 0 | 114.2 | M54 | M54-S91 WeakPolarHBondContact CE-O 3.4Š|
| 92 | M | 81.3 | Confident | 93.1 | Very high | 162 Ų | 162 | 52.9 Ų | 52.9 | 80% | 0.798 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | -17.1 | -172.8 | -59.8 | -58.9 | -65.7 | 0 | 0 | 113.6 | N90 | N90-M92 PolarHBondContact O-N 2.99Å; N90-M92 PolarHBondContact OD1-N 3.2Å |
| 93 | S | 84.9 | Confident | 93.2 | Very high | 36 Ų | 36 | 51.9 Ų | 51.9 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | trans | -138.1 | 140.3 | -177 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | M54 N90 E95 | M54-S93 VanDerWaalsContact SD-C 3.5Å; N90-S93 PolarHBondContact OD1-N 3.24Å; N90-S93 VanDerWaalsContact OD1-N 3.1Å; S93-E95 PolarHBondContact O-N 3.45Å; S93-E95 PolarHBondContact OG-N 3.35Å | ||
| 94 | P | 90 | Very high | 93.2 | Very high | 53 Ų | 53 | 58.9 Ų | 58.9 | 34% | 0.344 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -69.7 | -16.7 | 172.1 | 30.4 | -36 | 0 | 0 | 0 | 113 | M54 V55 L57 | M54-P94 HydrophobicContact CG-CB 4.42Å; M54-P94 HydrophobicContact SD-CB 4.43Å; V55-P94 WeakPolarHBondContact O-CB 3.39Å; L57-P94 PolarHBondContact N-O 2.57Å |
| 95 | E | 91.5 | Very high | 93.1 | Very high | 142 Ų | 142 | 57.2 Ų | 57.2 | 66% | 0.664 | 31% | 0.307 | S | S | * | . | B | Isolated β-bridge | trans | -87.9 | 149.2 | -178.7 | -61.9 | -175.4 | 170.6 | 0 | 0 | 112 | S93 | S93-E95 PolarHBondContact O-N 3.45Å; S93-E95 PolarHBondContact OG-N 3.35Å |
| 96 | A | 93.1 | Very high | 93.1 | Very high | 28 Ų | 28 | 55.8 Ų | 55.8 | 23% | 0.231 | 30% | 0.299 | C | S | . | . | trans | -67.4 | 133.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | R87 G88 Y89 | R87-A96 HydrophobicContact CB-CB 3.96Å; R87-A96 HydrophobicContact CG-CB 4.12Å; G88-A96 CarbonylContact O-C 3.59Å; G88-A96 WeakPolarHBondContact O-CA 3.38Å; Y89-A96 HydrophobicContact CD1-CB 4.21Å; Y89-A96 HydrophobicContact CE1-CB 3.77Å | ||
| 97 | V | 92.9 | Very high | 93.1 | Very high | 83 Ų | 83 | 55.7 Ų | 55.7 | 50% | 0.503 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -74.4 | -36.6 | 175 | -178.8 | 0 | 0 | 0 | 0 | 111 | G88 N90 | G88-V97 PolarHBondContact O-N 3.22Å; N90-V97 HydrophobicContact CB-CG2 4.1Å |
| 98 | F | 94 | Very high | 93.1 | Very high | 28 Ų | 28 | 54.1 Ų | 54.1 | 12% | 0.123 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 163.5 | 175.9 | 62.9 | -92.2 | 0 | 0 | 0 | 111 | L78 G88 L100 E133 | L78-F98 HydrophobicContact CD2-CE2 4.02Å; L78-F98 HydrophobicContact CD2-CZ 3.74Å; G88-F98 PolarHBondContact N-O 2.58Å; G88-F98 PolarHBondContact O-N 2.94Å; F98-L100 HydrophobicContact CD2-CD2 3.72Å; F98-L100 HydrophobicContact CD2-CG 4.11Å; F98-L100 HydrophobicContact CE2-CD1 4.33Å; F98-L100 HydrophobicContact CE2-CD2 3.87Å; F98-L100 HydrophobicContact CE2-CG 4.01Å; F98-E133 HydrophobicContact CD2-CG 4.09Å; F98-E133 HydrophobicContact CE2-CG 4.07Å; F98-E133 HydrophobicContact CG-CG 4.39Å; F98-E133 HydrophobicContact CZ-CG 4.34Å |
| 99 | T | 96.8 | Very high | 93.2 | Very high | 55 Ų | 55 | 54.5 Ų | 54.5 | 34% | 0.337 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 133.2 | 176.5 | -61.7 | 0 | 0 | 0 | 0 | 109.2 | L85 I86 R87 E101 | L85-T99 HydrophobicContact CB-CG2 4.02Å; L85-T99 HydrophobicContact CD1-CG2 4.01Å; L85-T99 HydrophobicContact CD2-CG2 3.98Å; L85-T99 HydrophobicContact CG-CG2 4.22Å; I86-T99 CarbonylContact O-C 3.32Å; I86-T99 WeakPolarHBondContact O-CA 3.33Å; R87-T99 HydrophobicContact CG-CG2 4.39Å; T99-E101 HydrophobicContact CG2-CG 4.41Å |
| 100 | L | 97.5 | Very high | 93.3 | Very high | 7 Ų | 7 | 55.5 Ų | 55.5 | 4% | 0.037 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 126.4 | 174.7 | -44.7 | 178.3 | 0 | 0 | 0 | 109.5 | I86 F98 I118 W130 E133 | I86-L100 HydrophobicContact CB-CB 4.08Å; I86-L100 HydrophobicContact CB-CD1 4.2Å; I86-L100 HydrophobicContact CB-CG 4.31Å; I86-L100 HydrophobicContact CD1-CD1 4.42Å; I86-L100 HydrophobicContact CG2-CD1 4.13Å; I86-L100 PolarHBondContact N-O 2.99Å; I86-L100 PolarHBondContact O-N 2.85Å; F98-L100 HydrophobicContact CD2-CD2 3.72Å; F98-L100 HydrophobicContact CD2-CG 4.11Å; F98-L100 HydrophobicContact CE2-CD1 4.33Å; F98-L100 HydrophobicContact CE2-CD2 3.87Å; F98-L100 HydrophobicContact CE2-CG 4.01Å; L100-I118 HydrophobicContact CD1-CD1 3.84Å; L100-W130 HydrophobicContact CB-CD2 4.49Å; L100-W130 HydrophobicContact CB-CE3 3.94Å; L100-W130 HydrophobicContact CB-CH2 4.13Å; L100-W130 HydrophobicContact CB-CZ3 3.74Å; L100-W130 HydrophobicContact CD1-CB 4.35Å; L100-W130 HydrophobicContact CD1-CD2 3.95Å; L100-W130 HydrophobicContact CD1-CE3 3.97Å; L100-W130 HydrophobicContact CD1-CG 4.12Å; L100-W130 HydrophobicContact CG-CE3 4.4Å; L100-E133 HydrophobicContact CD2-CB 3.71Å; L100-E133 HydrophobicContact CD2-CG 4.19Å; L100-E133 WeakPolarHBondContact CD2-O 3.48Å |
| 101 | E | 96.9 | Very high | 93.8 | Very high | 149 Ų | 149 | 54.5 Ų | 54.5 | 70% | 0.696 | 30% | 0.301 | S | S | * | . | trans | -112.8 | 138.6 | 179.7 | -63.1 | -176.8 | -174.4 | 0 | 0 | 110.2 | L85 T99 W130 | L85-E101 HydrophobicContact CD2-CG 3.75Å; T99-E101 HydrophobicContact CG2-CG 4.41Å; E101-W130 WeakPolarHBondContact O-CH2 3.38Å | ||
| 102 | G | 95 | Very high | 94.5 | Very high | 37 Ų | 37 | 54.5 Ų | 54.5 | 38% | 0.381 | 30% | 0.298 | S | S | . | . | trans | 160 | -23.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | K128 | G102-K128 VanDerWaalsContact O-CE 3.24Å; G102-K128 WeakPolarHBondContact O-CE 3.41Å | ||
| 103 | H | 98 | Very high | 94.9 | Very high | 13 Ų | 13 | 49 Ų | 49 | 6% | 0.06 | 27% | 0.274 | C | S | . | . | trans | -72.1 | 148.3 | 170.4 | -84 | -61.5 | 0 | 0 | 0 | 111 | V107 S120 S122 D124 S126 | H103-V107 HydrophobicContact CB-CG2 3.91Å; H103-S120 PolarHBondContact CD2-OG 2.86Å; H103-S120 PolarHBondContact NE2-OG 2.75Å; H103-S122 WeakPolarHBondContact CE1-CB 3.24Å; H103-S122 WeakPolarHBondContact ND1-CB 3.46Å; H103-D124 WeakPolarHBondContact CA-OD2 3.42Å; H103-D124 IonicContact CE1-OD1 3.15Å; H103-D124 IonicContact CE1-OD2 3.07Å; H103-D124 IonicContact CG-OD2 2.65Å; H103-D124 IonicContact ND1-OD1 3.95Å; H103-D124 PolarHBondContact ND1-OD1 3.37Å; H103-D124 IonicContact ND1-OD2 3.69Å; H103-D124 PolarHBondContact ND1-OD2 2.63Å; H103-S126 PolarHBondContact CE1-OG 2.73Å | ||
| 104 | K | 97.4 | Very high | 95.1 | Very high | 169 Ų | 169 | 49.8 Ų | 49.8 | 74% | 0.735 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -95.7 | -11.4 | -178.4 | -63.6 | -179.1 | -178.9 | 177.5 | 0 | 113.3 | K84 D124 | K84-K104 WeakPolarHBondContact CD-O 3.21Å; K84-K104 VanDerWaalsContact CE-O 3.28Å; K84-K104 WeakPolarHBondContact CE-O 3.46Å; K84-K104 PolarHBondContact NZ-O 3.43Å; K84-K104 VanDerWaalsContact NZ-O 3.08Å; K104-D124 HydrophobicContact CB-CB 3.98Å; K104-D124 PolarHBondContact N-OD2 2.8Å |
| 105 | D | 97.4 | Very high | 95 | Very high | 64 Ų | 64 | 51.6 Ų | 51.6 | 34% | 0.342 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -148.7 | 178.7 | -176.9 | -147.6 | -41.6 | 0 | 0 | 0 | 109.9 | V107 S122 W123 D124 | D105-V107 PolarHBondContact O-N 2.61Å; D105-S122 PolarHBondContact O-OG 2.77Å; D105-W123 HydrophobicContact CB-CB 3.85Å; D105-D124 HydrophobicContact CB-CB 4Å |
| 106 | T | 97.9 | Very high | 94.9 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | trans | -42.8 | 128.5 | -176.2 | -60.8 | 0 | 0 | 0 | 0 | 113.2 | H82 C108 S122 W123 | H82-T106 HydrophobicContact CB-CG2 4.21Å; H82-T106 WeakPolarHBondContact ND1-CG2 3.18Å; T106-C108 HydrophobicContact CG2-CB 4.32Å; T106-S122 CarbonylContact O-C 3.55Å; T106-S122 WeakPolarHBondContact O-CA 3.06Å; T106-S122 VanDerWaalsContact O-CB 3.32Å; T106-S122 WeakPolarHBondContact O-CB 3.25Å; T106-S122 PolarHBondContact O-OG 2.56Å; T106-W123 HydrophobicContact CG2-CD2 4.29Å; T106-W123 HydrophobicContact CG2-CG 4.46Å; T106-W123 HydrophobicContact CG2-CZ2 4.35Å; T106-W123 PolarHBondContact O-N 2.83Å | ||
| 107 | V | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 111.3 | 172.1 | -174.2 | 0 | 0 | 0 | 0 | 109 | S64 G80 S81 I86 H103 D105 L110 | S64-V107 PolarHBondContact OG-O 3.42Å; G80-V107 CarbonylContact C-O 3.5Å; G80-V107 VanDerWaalsContact C-O 3.29Å; S81-V107 PolarHBondContact N-O 2.85Å; S81-V107 PolarHBondContact O-N 2.95Å; I86-V107 HydrophobicContact CD1-CG1 4.2Å; I86-V107 HydrophobicContact CG1-CB 4.42Å; I86-V107 HydrophobicContact CG1-CG1 3.9Å; I86-V107 HydrophobicContact CG1-CG2 4.2Å; H103-V107 HydrophobicContact CB-CG2 3.91Å; D105-V107 PolarHBondContact O-N 2.61Å; V107-L110 HydrophobicContact CG1-CD2 4.24Å |
| 108 | C | 96.4 | Very high | 95 | Very high | 14 Ų | 14 | 45.8 Ų | 45.8 | 10% | 0.095 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | -3.3 | -170.1 | 64.8 | 0 | 0 | 0 | 0 | 114.7 | T106 G121 V146 W147 | T106-C108 HydrophobicContact CG2-CB 4.32Å; C108-G121 PolarHBondContact N-O 3.03Å; C108-V146 PolarHBondContact SG-O 2.9Å; C108-W147 HydrophobicContact CB-CE3 3.97Å; C108-W147 HydrophobicContact CB-CZ3 4.09Å; C108-W147 VanDerWaalsContact SG-CE3 3.54Å |
| 109 | A | 97.7 | Very high | 95.1 | Very high | 8 Ų | 8 | 44.4 Ų | 44.4 | 7% | 0.066 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 140.9 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | S120 G121 W147 V149 | A109-S120 CarbonylContact O-C 3.48Å; A109-S120 VanDerWaalsContact O-CA 3.24Å; A109-S120 WeakPolarHBondContact O-CA 3.49Å; A109-G121 PolarHBondContact N-O 3.26Å; A109-G121 PolarHBondContact O-N 3.17Å; A109-W147 WeakPolarHBondContact CB-O 3.5Å; A109-V149 HydrophobicContact CB-CB 4.47Å; A109-V149 HydrophobicContact CB-CG1 4.19Å; A109-V149 HydrophobicContact CB-CG2 3.88Å |
| 110 | L | 97.8 | Very high | 95.2 | Very high | 23 Ų | 23 | 41.8 Ų | 41.8 | 12% | 0.12 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 139.8 | 175.2 | -70 | 173.8 | 0 | 0 | 0 | 109.7 | A65 C67 L78 I86 V107 I119 | A65-L110 HydrophobicContact CB-CB 4.43Å; A65-L110 HydrophobicContact CB-CD1 4.03Å; A65-L110 HydrophobicContact CB-CG 3.97Å; C67-L110 HydrophobicContact CB-CB 4.16Å; L78-L110 HydrophobicContact CB-CD1 4.28Å; I86-L110 HydrophobicContact CD1-CD2 3.92Å; I86-L110 HydrophobicContact CG1-CD2 4.2Å; I86-L110 HydrophobicContact CG2-CD2 4.24Å; V107-L110 HydrophobicContact CG1-CD2 4.24Å; L110-I119 WeakPolarHBondContact CA-O 3.18Å |
| 111 | A | 96 | Very high | 95.2 | Very high | 18 Ų | 18 | 41.5 Ų | 41.5 | 15% | 0.149 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 148.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | I118 I119 V149 V151 | A111-I118 WeakPolarHBondContact O-CA 3.33Å; A111-I119 HydrophobicContact CB-CD1 4.03Å; A111-I119 HydrophobicContact CB-CG1 3.68Å; A111-I119 PolarHBondContact N-O 3.28Å; A111-I119 PolarHBondContact O-N 3.3Å; A111-V149 HydrophobicContact CB-CG2 4Å; A111-V151 HydrophobicContact CB-CG2 4.38Å |
| 112 | V | 93.7 | Very high | 95.3 | Very high | 49 Ų | 49 | 34.4 Ų | 34.4 | 30% | 0.297 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 132.4 | 178.9 | 178.8 | 0 | 0 | 0 | 0 | 109.1 | C67 C68 Q69 I118 | C67-V112 HydrophobicContact CB-CG2 4.36Å; C68-V112 WeakPolarHBondContact O-CG2 3.46Å; Q69-V112 HydrophobicContact CB-CG1 4.2Å; Q69-V112 HydrophobicContact CB-CG2 3.9Å; Q69-V112 HydrophobicContact CG-CG1 3.89Å; Q69-V112 HydrophobicContact CG-CG2 4.44Å; V112-I118 HydrophobicContact CG2-CG2 4.37Å |
| 113 | V | 90.7 | Very high | 95.5 | Very high | 47 Ų | 47 | 36.9 Ų | 36.9 | 29% | 0.285 | 19% | 0.186 | S | C | . | . | trans | -97.1 | -47.1 | 173.8 | 176 | 0 | 0 | 0 | 0 | 109.8 | T117 I119 V151 M164 | V113-T117 HydrophobicContact CB-CG2 3.83Å; V113-T117 WeakPolarHBondContact CB-O 3.26Å; V113-T117 HydrophobicContact CG1-CG2 4.12Å; V113-T117 HydrophobicContact CG2-CG2 3.95Å; V113-T117 PolarHBondContact N-O 2.87Å; V113-I119 HydrophobicContact CG2-CG2 3.76Å; V113-V151 HydrophobicContact CG1-CG1 4.48Å; V113-V151 HydrophobicContact CG2-CG1 4.17Å; V113-V151 HydrophobicContact CG2-CG2 3.72Å; V113-M164 HydrophobicContact CB-SD 4.28Å; V113-M164 HydrophobicContact CG1-SD 3.48Å; V113-M164 WeakPolarHBondContact CG1-SD 3.28Å; V113-M164 HydrophobicContact CG2-CE 4.37Å; V113-M164 HydrophobicContact CG2-SD 3.75Å | ||
| 114 | S | 88.9 | Confident | 95.5 | Very high | 53 Ų | 53 | 38 Ų | 38 | 37% | 0.371 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -157.4 | -177.6 | -177.3 | 73.1 | 0 | 0 | 0 | 0 | 110.5 | Q69 K116 T117 | Q69-S114 PolarHBondContact NE2-O 3.27Å; S114-K116 PolarHBondContact O-N 2.97Å; S114-K116 PolarHBondContact OG-N 3.44Å; S114-T117 PolarHBondContact N-O 3.46Å; S114-T117 VanDerWaalsContact N-O 3.13Å; S114-T117 PolarHBondContact O-N 3.23Å; S114-T117 WeakPolarHBondContact OG-CB 3.3Å; S114-T117 PolarHBondContact OG-N 3.2Å; S114-T117 PolarHBondContact OG-OG1 2.76Å |
| 115 | Q | 87.8 | Confident | 95.5 | Very high | 91 Ų | 91 | 34.9 Ų | 34.9 | 43% | 0.425 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -55.7 | -22.5 | 174.2 | -64 | -173.6 | -4.3 | 0 | 0 | 114.1 | Q69 E70 L71 | Q69-Q115 VanDerWaalsContact NE2-C 3.27Å; Q69-Q115 PolarHBondContact NE2-O 2.61Å; Q69-Q115 VanDerWaalsContact NE2-O 3.09Å; E70-Q115 WeakPolarHBondContact O-CG 3.23Å; L71-Q115 HydrophobicContact CD2-CB 3.79Å; L71-Q115 HydrophobicContact CD2-CG 4.34Å; L71-Q115 WeakPolarHBondContact CD2-O 3.5Å |
| 116 | K | 88.3 | Confident | 95.6 | Very high | 119 Ų | 119 | 32.2 Ų | 32.2 | 52% | 0.517 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -119.3 | -7.9 | -175.9 | -67.6 | -176.4 | 169.8 | -162.2 | 0 | 114.1 | S114 K131 E132 | S114-K116 PolarHBondContact O-N 2.97Å; S114-K116 PolarHBondContact OG-N 3.44Å; K116-K131 WeakPolarHBondContact O-CA 3.29Å; K116-E132 HydrophobicContact CB-CG 4.23Å; K116-E132 HydrophobicContact CD-CG 4.03Å; K116-E132 WeakPolarHBondContact CD-OE1 3.41Å; K116-E132 WeakPolarHBondContact CE-OE1 3.42Å; K116-E132 HydrophobicContact CG-CG 4.4Å; K116-E132 IonicContact NZ-OE1 3.03Å; K116-E132 PolarHBondContact NZ-OE1 2.92Å; K116-E132 PolarHBondContact O-N 3.27Å |
| 117 | T | 92.1 | Very high | 95.6 | Very high | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.025 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 131.3 | -169.5 | -54.2 | 0 | 0 | 0 | 0 | 111.4 | V113 S114 I129 W130 L183 | V113-T117 HydrophobicContact CB-CG2 3.83Å; V113-T117 WeakPolarHBondContact CB-O 3.26Å; V113-T117 HydrophobicContact CG1-CG2 4.12Å; V113-T117 HydrophobicContact CG2-CG2 3.95Å; V113-T117 PolarHBondContact N-O 2.87Å; S114-T117 PolarHBondContact N-O 3.46Å; S114-T117 VanDerWaalsContact N-O 3.13Å; S114-T117 PolarHBondContact O-N 3.23Å; S114-T117 WeakPolarHBondContact OG-CB 3.3Å; S114-T117 PolarHBondContact OG-N 3.2Å; S114-T117 PolarHBondContact OG-OG1 2.76Å; T117-I129 HydrophobicContact CG2-CG2 4.03Å; T117-W130 CarbonylContact C-O 3.51Å; T117-W130 WeakPolarHBondContact CA-O 3.46Å; T117-W130 WeakPolarHBondContact CG2-O 3.5Å; T117-L183 HydrophobicContact CG2-CD2 4.1Å |
| 118 | I | 95.6 | Very high | 95.6 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 4% | 0.036 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 161.3 | 174.2 | 68.5 | 166.1 | 0 | 0 | 0 | 110.5 | L78 I86 L100 A111 V112 W130 | L78-I118 HydrophobicContact CD1-CB 4.44Å; L78-I118 HydrophobicContact CD1-CD1 3.84Å; L78-I118 HydrophobicContact CD1-CG2 3.64Å; L78-I118 HydrophobicContact CD2-CD1 4.34Å; I86-I118 HydrophobicContact CG2-CD1 4.44Å; L100-I118 HydrophobicContact CD1-CD1 3.84Å; A111-I118 WeakPolarHBondContact O-CA 3.33Å; V112-I118 HydrophobicContact CG2-CG2 4.37Å; I118-W130 HydrophobicContact CD1-CB 4.43Å; I118-W130 HydrophobicContact CD1-CG 4.45Å; I118-W130 HydrophobicContact CG1-CB 3.7Å; I118-W130 HydrophobicContact CG1-CG 4.03Å; I118-W130 PolarHBondContact N-O 2.89Å; I118-W130 PolarHBondContact O-N 3.49Å |
| 119 | I | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 148.6 | 173.7 | 65.6 | 166.8 | 0 | 0 | 0 | 110.7 | L110 A111 V113 K128 I129 V149 V151 M164 V166 | L110-I119 WeakPolarHBondContact CA-O 3.18Å; A111-I119 HydrophobicContact CB-CD1 4.03Å; A111-I119 HydrophobicContact CB-CG1 3.68Å; A111-I119 PolarHBondContact N-O 3.28Å; A111-I119 PolarHBondContact O-N 3.3Å; V113-I119 HydrophobicContact CG2-CG2 3.76Å; I119-K128 CarbonylContact C-O 3.54Å; I119-K128 VanDerWaalsContact CA-O 3.28Å; I119-K128 WeakPolarHBondContact CA-O 3.35Å; I119-I129 HydrophobicContact CB-CD1 4.14Å; I119-I129 HydrophobicContact CG2-CD1 3.33Å; I119-I129 HydrophobicContact CG2-CG2 4.44Å; I119-V149 HydrophobicContact CD1-CB 3.67Å; I119-V149 HydrophobicContact CD1-CG2 3.7Å; I119-V149 HydrophobicContact CG1-CB 4.32Å; I119-V149 HydrophobicContact CG1-CG2 3.82Å; I119-V151 HydrophobicContact CD1-CG2 3.42Å; I119-V151 VanDerWaalsContact CD1-CG2 3.42Å; I119-V151 HydrophobicContact CG1-CG2 3.97Å; I119-M164 HydrophobicContact CG2-CE 4.39Å; I119-V166 HydrophobicContact CD1-CG1 3.92Å |
| 120 | S | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 142.5 | 178.1 | 60.9 | 0 | 0 | 0 | 0 | 112.2 | H103 A109 V127 K128 W130 | H103-S120 PolarHBondContact CD2-OG 2.86Å; H103-S120 PolarHBondContact NE2-OG 2.75Å; A109-S120 CarbonylContact O-C 3.48Å; A109-S120 VanDerWaalsContact O-CA 3.24Å; A109-S120 WeakPolarHBondContact O-CA 3.49Å; S120-V127 CarbonylContact O-C 3.59Å; S120-V127 WeakPolarHBondContact O-CA 3.47Å; S120-V127 WeakPolarHBondContact O-CG1 3.19Å; S120-K128 PolarHBondContact N-O 3.46Å; S120-K128 PolarHBondContact O-N 3.29Å; S120-W130 PolarHBondContact OG-NE1 2.68Å |
| 121 | G | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 141.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | C108 A109 V146 | C108-G121 PolarHBondContact N-O 3.03Å; A109-G121 PolarHBondContact N-O 3.26Å; A109-G121 PolarHBondContact O-N 3.17Å; G121-V146 CarbonylContact C-O 3.54Å |
| 122 | S | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 162 | -173.5 | 172 | 0 | 0 | 0 | 0 | 113.2 | H103 D105 T106 D124 K125 S126 V146 | H103-S122 WeakPolarHBondContact CE1-CB 3.24Å; H103-S122 WeakPolarHBondContact ND1-CB 3.46Å; D105-S122 PolarHBondContact O-OG 2.77Å; T106-S122 CarbonylContact O-C 3.55Å; T106-S122 WeakPolarHBondContact O-CA 3.06Å; T106-S122 VanDerWaalsContact O-CB 3.32Å; T106-S122 WeakPolarHBondContact O-CB 3.25Å; T106-S122 PolarHBondContact O-OG 2.56Å; S122-D124 WeakPolarHBondContact CB-OD1 3.26Å; S122-D124 PolarHBondContact O-N 3.1Å; S122-D124 VanDerWaalsContact OG-CG 3.28Å; S122-D124 PolarHBondContact OG-N 2.96Å; S122-D124 VanDerWaalsContact OG-N 3.12Å; S122-D124 PolarHBondContact OG-OD1 2.97Å; S122-K125 PolarHBondContact O-N 3.26Å; S122-S126 PolarHBondContact N-O 3.25Å; S122-V146 PolarHBondContact O-N 3.17Å |
| 123 | W | 98.4 | Very high | 94.7 | Very high | 89 Ų | 89 | 39.9 Ų | 39.9 | 34% | 0.337 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -14.2 | 170.4 | -67.8 | 17.3 | 0 | 0 | 0 | 113.1 | D105 T106 K125 A145 W147 | D105-W123 HydrophobicContact CB-CB 3.85Å; T106-W123 HydrophobicContact CG2-CD2 4.29Å; T106-W123 HydrophobicContact CG2-CG 4.46Å; T106-W123 HydrophobicContact CG2-CZ2 4.35Å; T106-W123 PolarHBondContact O-N 2.83Å; W123-K125 PolarHBondContact O-N 2.56Å; W123-A145 HydrophobicContact CB-CB 4.1Å; W123-A145 HydrophobicContact CG-CB 3.88Å; W123-W147 HydrophobicContact CD2-CH2 4.45Å; W123-W147 AromaticContact CE2-CH2 3.27Å; W123-W147 AromaticContact CE2-CZ3 3.61Å; W123-W147 HydrophobicContact CH2-CH2 4.29Å; W123-W147 AromaticContact CZ2-CH2 3.2Å; W123-W147 HydrophobicContact CZ2-CH2 3.2Å; W123-W147 HydrophobicContact CZ2-CZ2 4.16Å; W123-W147 AromaticContact CZ2-CZ3 3.72Å; W123-W147 HydrophobicContact CZ2-CZ3 3.72Å; W123-W147 AromaticContact NE1-CE3 3.66Å; W123-W147 AromaticContact NE1-CH2 3.09Å; W123-W147 AromaticContact NE1-CZ2 3.75Å; W123-W147 AromaticContact NE1-CZ3 3Å |
| 124 | D | 98.1 | Very high | 94.8 | Very high | 36 Ų | 36 | 45 Ų | 45 | 19% | 0.193 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 9 | 171.2 | 74.2 | 11 | 0 | 0 | 0 | 114.1 | H103 K104 D105 S122 S126 | H103-D124 WeakPolarHBondContact CA-OD2 3.42Å; H103-D124 IonicContact CE1-OD1 3.15Å; H103-D124 IonicContact CE1-OD2 3.07Å; H103-D124 IonicContact CG-OD2 2.65Å; H103-D124 IonicContact ND1-OD1 3.95Å; H103-D124 PolarHBondContact ND1-OD1 3.37Å; H103-D124 IonicContact ND1-OD2 3.69Å; H103-D124 PolarHBondContact ND1-OD2 2.63Å; K104-D124 HydrophobicContact CB-CB 3.98Å; K104-D124 PolarHBondContact N-OD2 2.8Å; D105-D124 HydrophobicContact CB-CB 4Å; S122-D124 WeakPolarHBondContact CB-OD1 3.26Å; S122-D124 PolarHBondContact O-N 3.1Å; S122-D124 VanDerWaalsContact OG-CG 3.28Å; S122-D124 PolarHBondContact OG-N 2.96Å; S122-D124 VanDerWaalsContact OG-N 3.12Å; S122-D124 PolarHBondContact OG-OD1 2.97Å; D124-S126 PolarHBondContact O-N 3.35Å; D124-S126 VanDerWaalsContact OD1-CB 3.31Å; D124-S126 WeakPolarHBondContact OD1-CB 3.46Å; D124-S126 PolarHBondContact OD1-N 3.06Å; D124-S126 PolarHBondContact OD1-OG 3.15Å; D124-S126 PolarHBondContact OD2-OG 3.29Å |
| 125 | K | 98.5 | Very high | 95 | Very high | 104 Ų | 104 | 45 Ų | 45 | 45% | 0.452 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 70.7 | 11.6 | 176.1 | -40.2 | 176.3 | -179.7 | -161.6 | 0 | 114.2 | S122 W123 E143 A144 | S122-K125 PolarHBondContact O-N 3.26Å; W123-K125 PolarHBondContact O-N 2.56Å; K125-E143 WeakPolarHBondContact CD-O 3.26Å; K125-E143 VanDerWaalsContact CE-O 3.25Å; K125-E143 WeakPolarHBondContact CE-O 3.11Å; K125-E143 PolarHBondContact NZ-O 2.95Å; K125-A144 WeakPolarHBondContact CA-O 3.23Å; K125-A144 WeakPolarHBondContact CB-O 3.32Å |
| 126 | S | 98.3 | Very high | 95.2 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | trans | -114.7 | 155.5 | -177.6 | 77.9 | 0 | 0 | 0 | 0 | 113.1 | H103 S122 D124 L139 | H103-S126 PolarHBondContact CE1-OG 2.73Å; S122-S126 PolarHBondContact N-O 3.25Å; D124-S126 PolarHBondContact O-N 3.35Å; D124-S126 VanDerWaalsContact OD1-CB 3.31Å; D124-S126 WeakPolarHBondContact OD1-CB 3.46Å; D124-S126 PolarHBondContact OD1-N 3.06Å; D124-S126 PolarHBondContact OD1-OG 3.15Å; D124-S126 PolarHBondContact OD2-OG 3.29Å; S126-L139 WeakPolarHBondContact CA-O 3.43Å | ||
| 127 | V | 98.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.4 | 162.7 | 178.4 | 0 | 0 | 0 | 0 | 108 | S120 I129 T138 L139 V146 V149 V166 | S120-V127 CarbonylContact O-C 3.59Å; S120-V127 WeakPolarHBondContact O-CA 3.47Å; S120-V127 WeakPolarHBondContact O-CG1 3.19Å; V127-I129 HydrophobicContact CG1-CD1 4.44Å; V127-T138 CarbonylContact O-C 3.51Å; V127-T138 WeakPolarHBondContact O-CA 3.42Å; V127-L139 HydrophobicContact CB-CB 4.07Å; V127-L139 HydrophobicContact CB-CD1 4.05Å; V127-L139 HydrophobicContact CB-CG 4.12Å; V127-L139 HydrophobicContact CG1-CD1 4.04Å; V127-L139 HydrophobicContact CG1-CG 4.38Å; V127-L139 PolarHBondContact N-O 2.88Å; V127-L139 VanDerWaalsContact N-O 3.12Å; V127-L139 PolarHBondContact O-N 3.29Å; V127-V146 HydrophobicContact CG2-CG1 3.83Å; V127-V146 HydrophobicContact CG2-CG2 4.38Å; V127-V149 HydrophobicContact CG1-CG1 4.28Å; V127-V149 HydrophobicContact CG2-CG1 4.06Å; V127-V166 HydrophobicContact CG1-CG1 4.27Å |
| 128 | K | 97.7 | Very high | 95.7 | Very high | 24 Ų | 24 | 39.6 Ų | 39.6 | 10% | 0.104 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 143.3 | 176 | -72.5 | -178.8 | 178.7 | -72.5 | 0 | 111.3 | G102 I119 S120 W130 T138 | G102-K128 VanDerWaalsContact O-CE 3.24Å; G102-K128 WeakPolarHBondContact O-CE 3.41Å; I119-K128 CarbonylContact C-O 3.54Å; I119-K128 VanDerWaalsContact CA-O 3.28Å; I119-K128 WeakPolarHBondContact CA-O 3.35Å; S120-K128 PolarHBondContact N-O 3.46Å; S120-K128 PolarHBondContact O-N 3.29Å; K128-W130 HydrophobicContact CB-CZ2 3.91Å; K128-W130 HydrophobicContact CD-CH2 4.15Å; K128-W130 HydrophobicContact CD-CZ2 3.63Å; K128-W130 HydrophobicContact CG-CZ2 4.42Å; K128-T138 HydrophobicContact CG-CG2 4.21Å; K128-T138 PolarHBondContact NZ-OG1 3.22Å |
| 129 | I | 95.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 125.9 | 173.9 | -45 | -60.8 | 0 | 0 | 0 | 107.6 | T117 I119 V127 C135 V136 S137 M164 V166 L180 L183 | T117-I129 HydrophobicContact CG2-CG2 4.03Å; I119-I129 HydrophobicContact CB-CD1 4.14Å; I119-I129 HydrophobicContact CG2-CD1 3.33Å; I119-I129 HydrophobicContact CG2-CG2 4.44Å; V127-I129 HydrophobicContact CG1-CD1 4.44Å; I129-C135 CarbonylContact O-C 3.5Å; I129-C135 WeakPolarHBondContact O-CA 3.26Å; I129-V136 HydrophobicContact CB-CG2 4.14Å; I129-V136 HydrophobicContact CG2-CG2 3.97Å; I129-V136 WeakPolarHBondContact O-CG2 3.45Å; I129-V136 PolarHBondContact O-N 2.82Å; I129-S137 PolarHBondContact N-O 2.84Å; I129-S137 PolarHBondContact O-N 2.83Å; I129-M164 HydrophobicContact CD1-CE 4.07Å; I129-M164 HydrophobicContact CG2-CE 4.49Å; I129-V166 HydrophobicContact CD1-CG2 4.3Å; I129-L180 HydrophobicContact CD1-CD2 4.08Å; I129-L180 HydrophobicContact CG1-CD2 3.73Å; I129-L183 HydrophobicContact CG2-CD1 4.19Å; I129-L183 HydrophobicContact CG2-CD2 4.3Å |
| 130 | W | 94.9 | Very high | 95.7 | Very high | 7 Ų | 7 | 44.2 Ų | 44.2 | 3% | 0.027 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 125 | -179 | -48.3 | 81.5 | 0 | 0 | 0 | 108.6 | I86 L100 E101 T117 I118 S120 K128 K134 C135 | I86-W130 HydrophobicContact CD1-CZ2 4.01Å; L100-W130 HydrophobicContact CB-CD2 4.49Å; L100-W130 HydrophobicContact CB-CE3 3.94Å; L100-W130 HydrophobicContact CB-CH2 4.13Å; L100-W130 HydrophobicContact CB-CZ3 3.74Å; L100-W130 HydrophobicContact CD1-CB 4.35Å; L100-W130 HydrophobicContact CD1-CD2 3.95Å; L100-W130 HydrophobicContact CD1-CE3 3.97Å; L100-W130 HydrophobicContact CD1-CG 4.12Å; L100-W130 HydrophobicContact CG-CE3 4.4Å; E101-W130 WeakPolarHBondContact O-CH2 3.38Å; T117-W130 CarbonylContact C-O 3.51Å; T117-W130 WeakPolarHBondContact CA-O 3.46Å; T117-W130 WeakPolarHBondContact CG2-O 3.5Å; I118-W130 HydrophobicContact CD1-CB 4.43Å; I118-W130 HydrophobicContact CD1-CG 4.45Å; I118-W130 HydrophobicContact CG1-CB 3.7Å; I118-W130 HydrophobicContact CG1-CG 4.03Å; I118-W130 PolarHBondContact N-O 2.89Å; I118-W130 PolarHBondContact O-N 3.49Å; S120-W130 PolarHBondContact OG-NE1 2.68Å; K128-W130 HydrophobicContact CB-CZ2 3.91Å; K128-W130 HydrophobicContact CD-CH2 4.15Å; K128-W130 HydrophobicContact CD-CZ2 3.63Å; K128-W130 HydrophobicContact CG-CZ2 4.42Å; W130-K134 CarbonylContact C-O 3.5Å; W130-K134 VanDerWaalsContact CA-O 3.23Å; W130-K134 WeakPolarHBondContact CA-O 3.35Å; W130-C135 HydrophobicContact CD2-CB 4.33Å; W130-C135 HydrophobicContact CE3-CB 3.75Å; W130-C135 HydrophobicContact CH2-CB 4.11Å; W130-C135 HydrophobicContact CZ3-CB 3.63Å |
| 131 | K | 91.8 | Very high | 95.5 | Very high | 39 Ų | 39 | 45.9 Ų | 45.9 | 17% | 0.17 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 126.4 | 174.6 | -176.3 | -178.3 | -179.4 | -172.8 | 0 | 107.3 | K116 E133 K134 V136 L183 | K116-K131 WeakPolarHBondContact O-CA 3.29Å; K131-E133 VanDerWaalsContact C-N 3.29Å; K131-E133 PolarHBondContact O-N 2.83Å; K131-K134 PolarHBondContact N-O 3.22Å; K131-K134 PolarHBondContact O-N 2.93Å; K131-K134 VanDerWaalsContact O-N 3.11Å; K131-V136 HydrophobicContact CB-CG1 3.8Å; K131-V136 HydrophobicContact CB-CG2 3.89Å; K131-L183 PolarHBondContact NZ-O 2.8Å |
| 132 | E | 89.1 | Confident | 95.5 | Very high | 110 Ų | 110 | 46.4 Ų | 46.4 | 51% | 0.514 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 51.5 | -177.5 | -59.8 | -175.1 | 159.4 | 0 | 0 | 112 | K116 K134 | K116-E132 HydrophobicContact CB-CG 4.23Å; K116-E132 HydrophobicContact CD-CG 4.03Å; K116-E132 WeakPolarHBondContact CD-OE1 3.41Å; K116-E132 WeakPolarHBondContact CE-OE1 3.42Å; K116-E132 HydrophobicContact CG-CG 4.4Å; K116-E132 IonicContact NZ-OE1 3.03Å; K116-E132 PolarHBondContact NZ-OE1 2.92Å; K116-E132 PolarHBondContact O-N 3.27Å; E132-K134 PolarHBondContact O-N 2.82Å |
| 133 | E | 91.1 | Very high | 95.5 | Very high | 98 Ų | 98 | 53.7 Ų | 53.7 | 46% | 0.458 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 15.3 | 175.3 | -57.5 | 166.3 | -162.5 | 0 | 0 | 114.4 | R76 F98 L100 K131 | R76-E133 IonicContact NH1-OE1 3.17Å; R76-E133 PolarHBondContact NH1-OE1 3.04Å; F98-E133 HydrophobicContact CD2-CG 4.09Å; F98-E133 HydrophobicContact CE2-CG 4.07Å; F98-E133 HydrophobicContact CG-CG 4.39Å; F98-E133 HydrophobicContact CZ-CG 4.34Å; L100-E133 HydrophobicContact CD2-CB 3.71Å; L100-E133 HydrophobicContact CD2-CG 4.19Å; L100-E133 WeakPolarHBondContact CD2-O 3.48Å; K131-E133 VanDerWaalsContact C-N 3.29Å; K131-E133 PolarHBondContact O-N 2.83Å |
| 134 | K | 92.7 | Very high | 95.4 | Very high | 154 Ų | 154 | 50.8 Ų | 50.8 | 67% | 0.67 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 138.5 | 175.4 | -65.9 | 177.7 | -175.9 | 172.7 | 0 | 111.4 | W130 K131 E132 V136 | W130-K134 CarbonylContact C-O 3.5Å; W130-K134 VanDerWaalsContact CA-O 3.23Å; W130-K134 WeakPolarHBondContact CA-O 3.35Å; K131-K134 PolarHBondContact N-O 3.22Å; K131-K134 PolarHBondContact O-N 2.93Å; K131-K134 VanDerWaalsContact O-N 3.11Å; E132-K134 PolarHBondContact O-N 2.82Å; K134-V136 PolarHBondContact O-N 2.83Å; K134-V136 VanDerWaalsContact O-N 3.17Å |
| 135 | C | 94.1 | Very high | 95.4 | Very high | 52 Ų | 52 | 49.7 Ų | 49.7 | 35% | 0.351 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 110.3 | 171.1 | 179.3 | 0 | 0 | 0 | 0 | 109.3 | I129 W130 S137 | I129-C135 CarbonylContact O-C 3.5Å; I129-C135 WeakPolarHBondContact O-CA 3.26Å; W130-C135 HydrophobicContact CD2-CB 4.33Å; W130-C135 HydrophobicContact CE3-CB 3.75Å; W130-C135 HydrophobicContact CH2-CB 4.11Å; W130-C135 HydrophobicContact CZ3-CB 3.63Å; C135-S137 PolarHBondContact SG-O 2.98Å |
| 136 | V | 92.8 | Very high | 95.4 | Very high | 42 Ų | 42 | 44.7 Ų | 44.7 | 26% | 0.255 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -18.3 | -179.1 | -66.9 | 0 | 0 | 0 | 0 | 113.3 | I129 K131 K134 L183 L189 | I129-V136 HydrophobicContact CB-CG2 4.14Å; I129-V136 HydrophobicContact CG2-CG2 3.97Å; I129-V136 WeakPolarHBondContact O-CG2 3.45Å; I129-V136 PolarHBondContact O-N 2.82Å; K131-V136 HydrophobicContact CB-CG1 3.8Å; K131-V136 HydrophobicContact CB-CG2 3.89Å; K134-V136 PolarHBondContact O-N 2.83Å; K134-V136 VanDerWaalsContact O-N 3.17Å; V136-L183 HydrophobicContact CG2-CD1 3.91Å; V136-L189 WeakPolarHBondContact O-CD2 3.38Å |
| 137 | S | 93.1 | Very high | 95.4 | Very high | 13 Ų | 13 | 46.8 Ų | 46.8 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 156.1 | 178.3 | -174.8 | 0 | 0 | 0 | 0 | 111.8 | I129 C135 I192 | I129-S137 PolarHBondContact N-O 2.84Å; I129-S137 PolarHBondContact O-N 2.83Å; C135-S137 PolarHBondContact SG-O 2.98Å; S137-I192 WeakPolarHBondContact OG-CD1 3.49Å |
| 138 | T | 96 | Very high | 95.4 | Very high | 47 Ų | 47 | 47.3 Ų | 47.3 | 29% | 0.288 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 116.2 | 174.6 | -60.8 | 0 | 0 | 0 | 0 | 108.9 | V127 K128 T140 | V127-T138 CarbonylContact O-C 3.51Å; V127-T138 WeakPolarHBondContact O-CA 3.42Å; K128-T138 HydrophobicContact CG-CG2 4.21Å; K128-T138 PolarHBondContact NZ-OG1 3.22Å; T138-T140 HydrophobicContact CG2-CG2 3.95Å |
| 139 | L | 96.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 126.6 | 174.5 | -38.5 | -177.8 | 0 | 0 | 0 | 108.1 | S126 V127 V166 W178 L180 I192 | S126-L139 WeakPolarHBondContact CA-O 3.43Å; V127-L139 HydrophobicContact CB-CB 4.07Å; V127-L139 HydrophobicContact CB-CD1 4.05Å; V127-L139 HydrophobicContact CB-CG 4.12Å; V127-L139 HydrophobicContact CG1-CD1 4.04Å; V127-L139 HydrophobicContact CG1-CG 4.38Å; V127-L139 PolarHBondContact N-O 2.88Å; V127-L139 VanDerWaalsContact N-O 3.12Å; V127-L139 PolarHBondContact O-N 3.29Å; L139-V166 HydrophobicContact CD1-CB 4.23Å; L139-V166 HydrophobicContact CD1-CG1 3.99Å; L139-W178 HydrophobicContact CB-CD2 4.3Å; L139-W178 HydrophobicContact CB-CE3 4.39Å; L139-W178 HydrophobicContact CB-CH2 4.48Å; L139-W178 HydrophobicContact CB-CZ2 4.38Å; L139-W178 HydrophobicContact CB-CZ3 4.48Å; L139-W178 HydrophobicContact CD1-CB 4.02Å; L139-W178 HydrophobicContact CD1-CD2 4Å; L139-W178 HydrophobicContact CD1-CG 3.7Å; L139-L180 HydrophobicContact CD1-CD1 4.23Å; L139-L180 HydrophobicContact CD2-CD1 4.11Å; L139-L180 HydrophobicContact CD2-CD2 4.3Å; L139-L180 HydrophobicContact CD2-CG 4.43Å; L139-I192 HydrophobicContact CD2-CD1 3.82Å; L139-I192 HydrophobicContact CD2-CG1 3.98Å; L139-I192 HydrophobicContact CD2-CG2 3.71Å |
| 140 | T | 96.3 | Very high | 95.5 | Very high | 101 Ų | 101 | 48 Ų | 48 | 62% | 0.62 | 26% | 0.258 | S | S | * | . | trans | -126.4 | 150.6 | -177.5 | 59.7 | 0 | 0 | 0 | 0 | 110.7 | T138 W178 | T138-T140 HydrophobicContact CG2-CG2 3.95Å; T140-W178 VanDerWaalsContact O-CH2 3.27Å; T140-W178 WeakPolarHBondContact O-CH2 3.15Å | ||
| 141 | G | 95.3 | Very high | 95.4 | Very high | 35 Ų | 35 | 48.9 Ų | 48.9 | 36% | 0.361 | 26% | 0.264 | S | S | . | . | trans | 138.3 | -15.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R176 | G141-R176 VanDerWaalsContact C-NH1 3.25Å; G141-R176 PolarHBondContact O-NH1 2.81Å; G141-R176 PolarHBondContact O-NH2 2.98Å | ||
| 142 | H | 98.1 | Very high | 95.4 | Very high | 11 Ų | 11 | 47.2 Ų | 47.2 | 5% | 0.051 | 26% | 0.257 | C | S | . | . | trans | -61.5 | 147.2 | 164.6 | -82.4 | -63.6 | 0 | 0 | 0 | 110.5 | V146 S168 S170 D172 T174 | H142-V146 HydrophobicContact CB-CG2 4.08Å; H142-S168 PolarHBondContact CD2-OG 2.76Å; H142-S168 PolarHBondContact NE2-OG 3.31Å; H142-S170 VanDerWaalsContact CE1-CB 3.43Å; H142-S170 WeakPolarHBondContact CE1-CB 3.04Å; H142-S170 WeakPolarHBondContact ND1-CB 3.32Å; H142-D172 VanDerWaalsContact CA-OD2 3.29Å; H142-D172 WeakPolarHBondContact CA-OD2 3.05Å; H142-D172 WeakPolarHBondContact CB-OD2 3.41Å; H142-D172 IonicContact CE1-OD2 2.75Å; H142-D172 IonicContact CG-OD2 3.22Å; H142-D172 IonicContact ND1-OD1 2.74Å; H142-D172 PolarHBondContact ND1-OD1 2.85Å; H142-D172 IonicContact ND1-OD2 3.67Å; H142-D172 PolarHBondContact ND1-OD2 3.4Å; H142-T174 PolarHBondContact CE1-OG1 3.44Å; H142-T174 PolarHBondContact ND1-OG1 2.9Å | ||
| 143 | E | 97.6 | Very high | 95.1 | Very high | 152 Ų | 152 | 44.2 Ų | 44.2 | 71% | 0.71 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -99.3 | -10.3 | -174.3 | -63.7 | -173.9 | 173.8 | 0 | 0 | 112.8 | K125 D172 | K125-E143 WeakPolarHBondContact CD-O 3.26Å; K125-E143 VanDerWaalsContact CE-O 3.25Å; K125-E143 WeakPolarHBondContact CE-O 3.11Å; K125-E143 PolarHBondContact NZ-O 2.95Å; E143-D172 HydrophobicContact CB-CB 4.11Å; E143-D172 PolarHBondContact N-OD2 2.56Å |
| 144 | A | 97.9 | Very high | 94.8 | Very high | 28 Ų | 28 | 39.6 Ų | 39.6 | 23% | 0.231 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -145.1 | -172.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | K125 S170 A171 D172 | K125-A144 WeakPolarHBondContact CA-O 3.23Å; K125-A144 WeakPolarHBondContact CB-O 3.32Å; A144-S170 PolarHBondContact O-OG 2.91Å; A144-A171 HydrophobicContact CB-CB 3.7Å; A144-D172 HydrophobicContact CB-CB 4.12Å |
| 145 | A | 97.8 | Very high | 94.2 | Very high | 13 Ų | 13 | 35.3 Ų | 35.3 | 11% | 0.107 | 21% | 0.213 | C | C | . | . | trans | -58.2 | 135.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | W123 W147 S170 A171 | W123-A145 HydrophobicContact CB-CB 4.1Å; W123-A145 HydrophobicContact CG-CB 3.88Å; A145-W147 HydrophobicContact CB-CZ2 4.35Å; A145-S170 CarbonylContact O-C 3.29Å; A145-S170 VanDerWaalsContact O-CA 3.24Å; A145-S170 WeakPolarHBondContact O-CA 3.33Å; A145-S170 PolarHBondContact O-OG 3.15Å; A145-A171 HydrophobicContact CB-CB 4.34Å; A145-A171 PolarHBondContact O-N 3.15Å | ||
| 146 | V | 98.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 103.9 | 175.4 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | C108 G121 S122 V127 H142 V149 | C108-V146 PolarHBondContact SG-O 2.9Å; G121-V146 CarbonylContact C-O 3.54Å; S122-V146 PolarHBondContact O-N 3.17Å; V127-V146 HydrophobicContact CG2-CG1 3.83Å; V127-V146 HydrophobicContact CG2-CG2 4.38Å; H142-V146 HydrophobicContact CB-CG2 4.08Å; V146-V149 HydrophobicContact CG1-CG1 4.07Å |
| 147 | W | 98.1 | Very high | 93.1 | Very high | 53 Ų | 53 | 35.9 Ų | 35.9 | 20% | 0.201 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -25.3 | -171.6 | -71.9 | 117.6 | 0 | 0 | 0 | 115.1 | C108 A109 W123 A145 G169 V205 | C108-W147 HydrophobicContact CB-CE3 3.97Å; C108-W147 HydrophobicContact CB-CZ3 4.09Å; C108-W147 VanDerWaalsContact SG-CE3 3.54Å; A109-W147 WeakPolarHBondContact CB-O 3.5Å; W123-W147 HydrophobicContact CD2-CH2 4.45Å; W123-W147 AromaticContact CE2-CH2 3.27Å; W123-W147 AromaticContact CE2-CZ3 3.61Å; W123-W147 HydrophobicContact CH2-CH2 4.29Å; W123-W147 AromaticContact CZ2-CH2 3.2Å; W123-W147 HydrophobicContact CZ2-CH2 3.2Å; W123-W147 HydrophobicContact CZ2-CZ2 4.16Å; W123-W147 AromaticContact CZ2-CZ3 3.72Å; W123-W147 HydrophobicContact CZ2-CZ3 3.72Å; W123-W147 AromaticContact NE1-CE3 3.66Å; W123-W147 AromaticContact NE1-CH2 3.09Å; W123-W147 AromaticContact NE1-CZ2 3.75Å; W123-W147 AromaticContact NE1-CZ3 3Å; A145-W147 HydrophobicContact CB-CZ2 4.35Å; W147-G169 PolarHBondContact N-O 3.17Å; W147-V205 WeakPolarHBondContact CB-O 3.37Å |
| 148 | C | 98.2 | Very high | 92.7 | Very high | 11 Ų | 11 | 36.8 Ų | 36.8 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 145.9 | -176.5 | 55.4 | 0 | 0 | 0 | 0 | 111.1 | S168 G169 L208 | C148-S168 WeakPolarHBondContact O-CA 3.36Å; C148-G169 PolarHBondContact N-O 3.35Å; C148-G169 PolarHBondContact O-N 3.15Å; C148-G169 VanDerWaalsContact SG-CA 3.57Å; C148-L208 HydrophobicContact CB-CD1 4.38Å; C148-L208 HydrophobicContact CB-CG 4.35Å |
| 149 | V | 98.2 | Very high | 92 | Very high | 15 Ų | 15 | 37.2 Ų | 37.2 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 146.2 | 177.2 | -62.7 | 0 | 0 | 0 | 0 | 110.2 | A109 A111 I119 V127 V146 I167 | A109-V149 HydrophobicContact CB-CB 4.47Å; A109-V149 HydrophobicContact CB-CG1 4.19Å; A109-V149 HydrophobicContact CB-CG2 3.88Å; A111-V149 HydrophobicContact CB-CG2 4Å; I119-V149 HydrophobicContact CD1-CB 3.67Å; I119-V149 HydrophobicContact CD1-CG2 3.7Å; I119-V149 HydrophobicContact CG1-CB 4.32Å; I119-V149 HydrophobicContact CG1-CG2 3.82Å; V127-V149 HydrophobicContact CG1-CG1 4.28Å; V127-V149 HydrophobicContact CG2-CG1 4.06Å; V146-V149 HydrophobicContact CG1-CG1 4.07Å; V149-I167 CarbonylContact C-O 3.49Å; V149-I167 VanDerWaalsContact CA-O 3.28Å; V149-I167 WeakPolarHBondContact CA-O 3.16Å |
| 150 | L | 96.6 | Very high | 91.4 | Very high | 24 Ų | 24 | 41.8 Ų | 41.8 | 13% | 0.126 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 146.4 | 178.3 | -179.8 | 67 | 0 | 0 | 0 | 109.9 | M152 V166 I167 L208 R210 F216 | L150-M152 HydrophobicContact CD2-CG 4.31Å; L150-M152 HydrophobicContact CD2-SD 4.28Å; L150-M152 HydrophobicContact CG-CG 4.37Å; L150-V166 WeakPolarHBondContact O-CA 3.2Å; L150-I167 HydrophobicContact CB-CB 4.32Å; L150-I167 PolarHBondContact N-O 2.91Å; L150-I167 PolarHBondContact O-N 3.29Å; L150-L208 HydrophobicContact CB-CB 4.04Å; L150-L208 HydrophobicContact CB-CD1 4.18Å; L150-L208 HydrophobicContact CD2-CB 4.39Å; L150-R210 HydrophobicContact CD1-CB 4.1Å; L150-R210 HydrophobicContact CD2-CB 4.14Å; L150-F216 HydrophobicContact CD2-CB 3.84Å; L150-F216 HydrophobicContact CD2-CG 4.49Å |
| 151 | V | 93.6 | Very high | 90.5 | Very high | 25 Ų | 25 | 42.5 Ų | 42.5 | 15% | 0.152 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 138.4 | 175.5 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | A111 V113 I119 M164 I165 | A111-V151 HydrophobicContact CB-CG2 4.38Å; V113-V151 HydrophobicContact CG1-CG1 4.48Å; V113-V151 HydrophobicContact CG2-CG1 4.17Å; V113-V151 HydrophobicContact CG2-CG2 3.72Å; I119-V151 HydrophobicContact CD1-CG2 3.42Å; I119-V151 VanDerWaalsContact CD1-CG2 3.42Å; I119-V151 HydrophobicContact CG1-CG2 3.97Å; V151-M164 HydrophobicContact CG1-CG 4.11Å; V151-M164 HydrophobicContact CG1-SD 4.42Å; V151-I165 WeakPolarHBondContact CA-O 3.48Å |
| 152 | M | 90.7 | Very high | 89.7 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 156.3 | 177 | -63.8 | -176.9 | 64.6 | 0 | 0 | 111.3 | L150 I157 I165 I167 R210 D212 D213 F216 A230 | L150-M152 HydrophobicContact CD2-CG 4.31Å; L150-M152 HydrophobicContact CD2-SD 4.28Å; L150-M152 HydrophobicContact CG-CG 4.37Å; M152-I157 HydrophobicContact CB-CD1 4.27Å; M152-I157 HydrophobicContact CE-CD1 4.23Å; M152-I165 HydrophobicContact CB-CB 4.2Å; M152-I165 HydrophobicContact CB-CG2 4.41Å; M152-I165 PolarHBondContact N-O 2.85Å; M152-I165 PolarHBondContact O-N 2.92Å; M152-I167 HydrophobicContact CG-CD1 4.36Å; M152-I167 HydrophobicContact SD-CD1 3.48Å; M152-I167 WeakPolarHBondContact SD-CD1 3.34Å; M152-R210 HydrophobicContact CE-CG 4.49Å; M152-D212 WeakPolarHBondContact CE-O 3.36Å; M152-D213 VanDerWaalsContact CE-C 3.46Å; M152-D213 WeakPolarHBondContact CE-O 3.47Å; M152-F216 HydrophobicContact SD-CB 4.24Å; M152-F216 HydrophobicContact SD-CD1 4.22Å; M152-A230 HydrophobicContact CE-CB 4.33Å; M152-A230 HydrophobicContact SD-CB 4.34Å |
| 153 | S | 84.4 | Confident | 89.3 | Confident | 47 Ų | 47 | 46.8 Ų | 46.8 | 33% | 0.329 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 136.1 | 171.5 | 178.2 | 0 | 0 | 0 | 0 | 109.7 | V155 | S153-V155 PolarHBondContact OG-N 2.7Å |
| 154 | A | 83.2 | Confident | 88.9 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -82.3 | -14.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | N156 I157 T158 G159 D163 I165 | A154-N156 PolarHBondContact O-N 2.83Å; A154-N156 VanDerWaalsContact O-N 3.15Å; A154-I157 PolarHBondContact O-N 3.28Å; A154-T158 PolarHBondContact O-N 3.42Å; A154-T158 PolarHBondContact O-OG1 2.73Å; A154-G159 PolarHBondContact O-N 3.49Å; A154-D163 VanDerWaalsContact CB-C 3.45Å; A154-D163 HydrophobicContact CB-CB 3.29Å; A154-D163 WeakPolarHBondContact CB-O 3.3Å; A154-I165 HydrophobicContact CB-CD1 4.19Å; A154-I165 HydrophobicContact CB-CG1 3.86Å |
| 155 | V | 80.9 | Confident | 88.7 | Confident | 63 Ų | 63 | 39 Ų | 39 | 38% | 0.382 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -42.1 | -173.2 | 178.4 | 0 | 0 | 0 | 0 | 111.9 | S153 G159 V161 | S153-V155 PolarHBondContact OG-N 2.7Å; V155-G159 VanDerWaalsContact O-CA 3.3Å; V155-G159 WeakPolarHBondContact O-CA 3.44Å; V155-G159 PolarHBondContact O-N 2.89Å; V155-V161 HydrophobicContact CG2-CB 4.43Å; V155-V161 HydrophobicContact CG2-CG1 4.48Å; V155-V161 HydrophobicContact CG2-CG2 4.15Å |
| 156 | N | 81.2 | Confident | 88.6 | Confident | 86 Ų | 86 | 38.4 Ų | 38.4 | 46% | 0.46 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -1.5 | -178.5 | -65.5 | -28.1 | 0 | 0 | 0 | 114 | A154 D213 T231 | A154-N156 PolarHBondContact O-N 2.83Å; A154-N156 VanDerWaalsContact O-N 3.15Å; N156-D213 HydrophobicContact CB-CB 4.46Å; N156-D213 WeakPolarHBondContact ND2-CB 3.25Å; N156-T231 PolarHBondContact O-OG1 3.38Å; N156-T231 VanDerWaalsContact O-OG1 3.05Å |
| 157 | I | 82 | Confident | 88.6 | Confident | 21 Ų | 21 | 38.4 Ų | 38.4 | 11% | 0.108 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | -53.7 | -175.2 | -62.1 | 172.7 | 0 | 0 | 0 | 110.6 | M152 A154 I165 L195 A230 | M152-I157 HydrophobicContact CB-CD1 4.27Å; M152-I157 HydrophobicContact CE-CD1 4.23Å; A154-I157 PolarHBondContact O-N 3.28Å; I157-I165 HydrophobicContact CB-CG1 4.2Å; I157-I165 HydrophobicContact CD1-CB 4.21Å; I157-I165 HydrophobicContact CD1-CG1 3.83Å; I157-I165 HydrophobicContact CD1-CG2 4.09Å; I157-I165 HydrophobicContact CG2-CD1 4.18Å; I157-I165 HydrophobicContact CG2-CG1 4.16Å; I157-L195 HydrophobicContact CG2-CD1 4.13Å; I157-A230 HydrophobicContact CD1-CB 3.66Å; I157-A230 HydrophobicContact CG1-CB 4.2Å |
| 158 | T | 84.3 | Confident | 88.6 | Confident | 32 Ų | 32 | 35.9 Ų | 35.9 | 20% | 0.196 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -14.1 | -179.7 | 68.7 | 0 | 0 | 0 | 0 | 113.3 | A154 H160 D163 I165 C179 L195 | A154-T158 PolarHBondContact O-N 3.42Å; A154-T158 PolarHBondContact O-OG1 2.73Å; T158-H160 PolarHBondContact O-CD2 3.02Å; T158-H160 PolarHBondContact O-N 2.71Å; T158-H160 PolarHBondContact OG1-N 2.62Å; T158-D163 PolarHBondContact OG1-OD2 3Å; T158-I165 HydrophobicContact CG2-CD1 3.94Å; T158-C179 HydrophobicContact CG2-CB 4.47Å; T158-L195 HydrophobicContact CG2-CD1 4.02Å |
| 159 | G | 82.1 | Confident | 88.6 | Confident | 56 Ų | 56 | 35.4 Ų | 35.4 | 58% | 0.577 | 21% | 0.211 | S | C | * | . | S | Bend | trans | 79.1 | 1.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A154 V155 | A154-G159 PolarHBondContact O-N 3.49Å; V155-G159 VanDerWaalsContact O-CA 3.3Å; V155-G159 WeakPolarHBondContact O-CA 3.44Å; V155-G159 PolarHBondContact O-N 2.89Å |
| 160 | H | 83.4 | Confident | 88.7 | Confident | 99 Ų | 99 | 34.7 Ų | 34.7 | 46% | 0.458 | 21% | 0.206 | S | C | . | . | trans | -107.2 | 127.6 | -179.6 | -62.3 | -73.6 | 0 | 0 | 0 | 110.9 | T158 D162 D163 | T158-H160 PolarHBondContact O-CD2 3.02Å; T158-H160 PolarHBondContact O-N 2.71Å; T158-H160 PolarHBondContact OG1-N 2.62Å; H160-D162 PolarHBondContact O-N 2.83Å; H160-D163 HydrophobicContact CB-CB 4.11Å; H160-D163 VanDerWaalsContact CB-CG 3.49Å; H160-D163 IonicContact CD2-OD2 3.56Å; H160-D163 IonicContact CG-OD2 3.72Å | ||
| 161 | V | 78.3 | Confident | 88.7 | Confident | 116 Ų | 116 | 34.7 Ų | 34.7 | 70% | 0.703 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -29.7 | -174.8 | -177.1 | 0 | 0 | 0 | 0 | 112.7 | V155 | V155-V161 HydrophobicContact CG2-CB 4.43Å; V155-V161 HydrophobicContact CG2-CG1 4.48Å; V155-V161 HydrophobicContact CG2-CG2 4.15Å |
| 162 | D | 79.6 | Confident | 88.9 | Confident | 119 Ų | 119 | 34.9 Ų | 34.9 | 64% | 0.636 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -6.7 | -177.5 | -61.9 | -43 | 0 | 0 | 0 | 113.8 | H160 | H160-D162 PolarHBondContact O-N 2.83Š|
| 163 | D | 88.2 | Confident | 89.3 | Confident | 17 Ų | 17 | 41.4 Ų | 41.4 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | trans | -75.2 | 147.1 | 176.8 | -75.5 | 10 | 0 | 0 | 0 | 109.6 | A154 T158 H160 C179 R181 | A154-D163 VanDerWaalsContact CB-C 3.45Å; A154-D163 HydrophobicContact CB-CB 3.29Å; A154-D163 WeakPolarHBondContact CB-O 3.3Å; T158-D163 PolarHBondContact OG1-OD2 3Å; H160-D163 HydrophobicContact CB-CB 4.11Å; H160-D163 VanDerWaalsContact CB-CG 3.49Å; H160-D163 IonicContact CD2-OD2 3.56Å; H160-D163 IonicContact CG-OD2 3.72Å; D163-C179 VanDerWaalsContact CG-SG 3.56Å; D163-C179 PolarHBondContact OD2-SG 3.15Å; D163-R181 VanDerWaalsContact OD1-CD 3.29Å; D163-R181 WeakPolarHBondContact OD1-CD 3.15Å; D163-R181 WeakPolarHBondContact OD1-CG 2.92Å; D163-R181 IonicContact OD1-NE 3.8Å; D163-R181 PolarHBondContact OD1-NE 3.1Å; D163-R181 IonicContact OD2-CZ 3.18Å; D163-R181 IonicContact OD2-NE 3.84Å; D163-R181 PolarHBondContact OD2-NE 2.87Å; D163-R181 IonicContact OD2-NH2 3.17Å; D163-R181 PolarHBondContact OD2-NH2 3.49Å | ||
| 164 | M | 89.8 | Confident | 90 | Very high | 17 Ų | 17 | 40.2 Ų | 40.2 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.8 | 171.3 | -179 | 179.3 | 89.9 | 0 | 0 | 109.8 | V113 I119 I129 V151 V166 C179 L180 L183 | V113-M164 HydrophobicContact CB-SD 4.28Å; V113-M164 HydrophobicContact CG1-SD 3.48Å; V113-M164 WeakPolarHBondContact CG1-SD 3.28Å; V113-M164 HydrophobicContact CG2-CE 4.37Å; V113-M164 HydrophobicContact CG2-SD 3.75Å; I119-M164 HydrophobicContact CG2-CE 4.39Å; I129-M164 HydrophobicContact CD1-CE 4.07Å; I129-M164 HydrophobicContact CG2-CE 4.49Å; V151-M164 HydrophobicContact CG1-CG 4.11Å; V151-M164 HydrophobicContact CG1-SD 4.42Å; M164-V166 HydrophobicContact CE-CG2 3.29Å; M164-V166 HydrophobicContact CG-CG2 4.43Å; M164-C179 WeakPolarHBondContact O-CA 3.45Å; M164-L180 HydrophobicContact CB-CB 4.38Å; M164-L180 HydrophobicContact CE-CB 4.46Å; M164-L180 HydrophobicContact CE-CD1 4.4Å; M164-L180 HydrophobicContact CE-CD2 3.87Å; M164-L180 HydrophobicContact CE-CG 4.48Å; M164-L180 PolarHBondContact N-O 3.18Å; M164-L180 PolarHBondContact O-N 3.29Å; M164-L183 HydrophobicContact CE-CD2 4.23Å; M164-L183 HydrophobicContact SD-CD2 4.03Å |
| 165 | I | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 123.1 | 173.8 | -57.4 | -53.6 | 0 | 0 | 0 | 110 | V151 M152 A154 I157 T158 I167 I177 W178 C179 L195 | V151-I165 WeakPolarHBondContact CA-O 3.48Å; M152-I165 HydrophobicContact CB-CB 4.2Å; M152-I165 HydrophobicContact CB-CG2 4.41Å; M152-I165 PolarHBondContact N-O 2.85Å; M152-I165 PolarHBondContact O-N 2.92Å; A154-I165 HydrophobicContact CB-CD1 4.19Å; A154-I165 HydrophobicContact CB-CG1 3.86Å; I157-I165 HydrophobicContact CB-CG1 4.2Å; I157-I165 HydrophobicContact CD1-CB 4.21Å; I157-I165 HydrophobicContact CD1-CG1 3.83Å; I157-I165 HydrophobicContact CD1-CG2 4.09Å; I157-I165 HydrophobicContact CG2-CD1 4.18Å; I157-I165 HydrophobicContact CG2-CG1 4.16Å; T158-I165 HydrophobicContact CG2-CD1 3.94Å; I165-I167 HydrophobicContact CG2-CG1 4.08Å; I165-I177 HydrophobicContact CG2-CG2 3.74Å; I165-W178 WeakPolarHBondContact CA-O 3.5Å; I165-C179 HydrophobicContact CD1-CB 3.78Å; I165-L195 HydrophobicContact CD1-CD1 3.88Å |
| 166 | V | 95.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 133.6 | 171.4 | 178.4 | 0 | 0 | 0 | 0 | 108.1 | I119 V127 I129 L139 L150 M164 W178 L180 | I119-V166 HydrophobicContact CD1-CG1 3.92Å; V127-V166 HydrophobicContact CG1-CG1 4.27Å; I129-V166 HydrophobicContact CD1-CG2 4.3Å; L139-V166 HydrophobicContact CD1-CB 4.23Å; L139-V166 HydrophobicContact CD1-CG1 3.99Å; L150-V166 WeakPolarHBondContact O-CA 3.2Å; M164-V166 HydrophobicContact CE-CG2 3.29Å; M164-V166 HydrophobicContact CG-CG2 4.43Å; V166-W178 HydrophobicContact CB-CB 4.31Å; V166-W178 PolarHBondContact N-O 2.82Å; V166-W178 VanDerWaalsContact O-CD1 3.26Å; V166-W178 PolarHBondContact O-N 2.89Å; V166-L180 HydrophobicContact CB-CD1 4.33Å; V166-L180 HydrophobicContact CG2-CD1 3.9Å |
| 167 | I | 97.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 131.6 | 175 | -52.6 | -175.5 | 0 | 0 | 0 | 108 | V149 L150 M152 I165 I175 R176 I177 L208 F216 | V149-I167 CarbonylContact C-O 3.49Å; V149-I167 VanDerWaalsContact CA-O 3.28Å; V149-I167 WeakPolarHBondContact CA-O 3.16Å; L150-I167 HydrophobicContact CB-CB 4.32Å; L150-I167 PolarHBondContact N-O 2.91Å; L150-I167 PolarHBondContact O-N 3.29Å; M152-I167 HydrophobicContact CG-CD1 4.36Å; M152-I167 HydrophobicContact SD-CD1 3.48Å; M152-I167 WeakPolarHBondContact SD-CD1 3.34Å; I165-I167 HydrophobicContact CG2-CG1 4.08Å; I167-I175 HydrophobicContact CG2-CG2 3.43Å; I167-I175 VanDerWaalsContact CG2-CG2 3.43Å; I167-R176 CarbonylContact C-O 3.59Å; I167-R176 VanDerWaalsContact CA-O 3.28Å; I167-R176 WeakPolarHBondContact CA-O 3.4Å; I167-I177 HydrophobicContact CD1-CG1 4.46Å; I167-I177 HydrophobicContact CG1-CG1 4.32Å; I167-I177 HydrophobicContact CG1-CG2 4.38Å; I167-I177 HydrophobicContact CG2-CG1 4.46Å; I167-L208 HydrophobicContact CB-CD1 4.35Å; I167-L208 HydrophobicContact CG2-CD1 3.87Å; I167-L208 HydrophobicContact CG2-CD2 4.32Å; I167-F216 HydrophobicContact CD1-CD1 3.57Å; I167-F216 HydrophobicContact CD1-CD2 4.44Å; I167-F216 HydrophobicContact CD1-CE1 3.6Å; I167-F216 HydrophobicContact CD1-CE2 4.47Å; I167-F216 HydrophobicContact CD1-CG 4.01Å; I167-F216 HydrophobicContact CD1-CZ 4.07Å; I167-F216 HydrophobicContact CG2-CE2 4.12Å; I167-F216 HydrophobicContact CG2-CZ 4.16Å |
| 168 | S | 98.5 | Very high | 93 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135.1 | 179.7 | 56.4 | 0 | 0 | 0 | 0 | 111.4 | H142 C148 I175 R176 W178 | H142-S168 PolarHBondContact CD2-OG 2.76Å; H142-S168 PolarHBondContact NE2-OG 3.31Å; C148-S168 WeakPolarHBondContact O-CA 3.36Å; S168-I175 CarbonylContact O-C 3.49Å; S168-I175 VanDerWaalsContact O-CA 3.23Å; S168-I175 WeakPolarHBondContact O-CA 3.35Å; S168-R176 PolarHBondContact N-O 3.37Å; S168-R176 PolarHBondContact O-N 3.25Å; S168-W178 PolarHBondContact OG-NE1 2.89Å |
| 169 | G | 98.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 140.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | W147 C148 | W147-G169 PolarHBondContact N-O 3.17Å; C148-G169 PolarHBondContact N-O 3.35Å; C148-G169 PolarHBondContact O-N 3.15Å; C148-G169 VanDerWaalsContact SG-CA 3.57Å |
| 170 | S | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 160 | -166.7 | 170.4 | 0 | 0 | 0 | 0 | 113.6 | H142 A144 A145 D172 R173 T174 V205 | H142-S170 VanDerWaalsContact CE1-CB 3.43Å; H142-S170 WeakPolarHBondContact CE1-CB 3.04Å; H142-S170 WeakPolarHBondContact ND1-CB 3.32Å; A144-S170 PolarHBondContact O-OG 2.91Å; A145-S170 CarbonylContact O-C 3.29Å; A145-S170 VanDerWaalsContact O-CA 3.24Å; A145-S170 WeakPolarHBondContact O-CA 3.33Å; A145-S170 PolarHBondContact O-OG 3.15Å; S170-D172 VanDerWaalsContact CB-OD1 3.23Å; S170-D172 WeakPolarHBondContact CB-OD1 3.2Å; S170-D172 PolarHBondContact O-N 2.94Å; S170-D172 PolarHBondContact OG-N 3.16Å; S170-D172 VanDerWaalsContact OG-N 3.11Å; S170-D172 PolarHBondContact OG-OD1 2.87Å; S170-D172 PolarHBondContact OG-OD2 3.38Å; S170-R173 PolarHBondContact O-N 3.43Å; S170-T174 PolarHBondContact N-O 3.28Å; S170-T174 VanDerWaalsContact N-O 3.15Å; S170-V205 PolarHBondContact O-N 3.17Å |
| 171 | A | 98 | Very high | 94.2 | Very high | 24 Ų | 24 | 29.6 Ų | 29.6 | 20% | 0.198 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -16 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A144 A145 R173 C204 | A144-A171 HydrophobicContact CB-CB 3.7Å; A145-A171 HydrophobicContact CB-CB 4.34Å; A145-A171 PolarHBondContact O-N 3.15Å; A171-R173 PolarHBondContact O-N 3.31Å; A171-C204 HydrophobicContact CB-CB 4.49Å |
| 172 | D | 97.9 | Very high | 94.5 | Very high | 30 Ų | 30 | 24.7 Ų | 24.7 | 16% | 0.16 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 8.4 | 173 | 65.3 | 26.7 | 0 | 0 | 0 | 113.4 | H142 E143 A144 S170 T174 | H142-D172 VanDerWaalsContact CA-OD2 3.29Å; H142-D172 WeakPolarHBondContact CA-OD2 3.05Å; H142-D172 WeakPolarHBondContact CB-OD2 3.41Å; H142-D172 IonicContact CE1-OD2 2.75Å; H142-D172 IonicContact CG-OD2 3.22Å; H142-D172 IonicContact ND1-OD1 2.74Å; H142-D172 PolarHBondContact ND1-OD1 2.85Å; H142-D172 IonicContact ND1-OD2 3.67Å; H142-D172 PolarHBondContact ND1-OD2 3.4Å; E143-D172 HydrophobicContact CB-CB 4.11Å; E143-D172 PolarHBondContact N-OD2 2.56Å; A144-D172 HydrophobicContact CB-CB 4.12Å; S170-D172 VanDerWaalsContact CB-OD1 3.23Å; S170-D172 WeakPolarHBondContact CB-OD1 3.2Å; S170-D172 PolarHBondContact O-N 2.94Å; S170-D172 PolarHBondContact OG-N 3.16Å; S170-D172 VanDerWaalsContact OG-N 3.11Å; S170-D172 PolarHBondContact OG-OD1 2.87Å; S170-D172 PolarHBondContact OG-OD2 3.38Å; D172-T174 PolarHBondContact O-N 3.42Å; D172-T174 WeakPolarHBondContact OD1-CA 3.3Å; D172-T174 VanDerWaalsContact OD1-CB 3.29Å; D172-T174 WeakPolarHBondContact OD1-CB 2.99Å; D172-T174 PolarHBondContact OD1-N 3.07Å; D172-T174 PolarHBondContact OD1-OG1 3.15Å |
| 173 | R | 98.2 | Very high | 94.6 | Very high | 141 Ų | 141 | 19.8 Ų | 19.8 | 53% | 0.532 | 9% | 0.092 | S | C | . | . | S | Bend | trans | 71.7 | 4.9 | 178.1 | -41.6 | 171.2 | -178.5 | 162.4 | 0.1 | 113.7 | S170 A171 K202 | S170-R173 PolarHBondContact O-N 3.43Å; A171-R173 PolarHBondContact O-N 3.31Å; R173-K202 WeakPolarHBondContact CD-O 3.36Å |
| 174 | T | 98.5 | Very high | 94 | Very high | 23 Ų | 23 | 24.4 Ų | 24.4 | 14% | 0.141 | 12% | 0.117 | C | C | . | . | trans | -104 | 153.7 | -179 | 74.6 | 0 | 0 | 0 | 0 | 112.9 | H142 S170 D172 L198 | H142-T174 PolarHBondContact CE1-OG1 3.44Å; H142-T174 PolarHBondContact ND1-OG1 2.9Å; S170-T174 PolarHBondContact N-O 3.28Å; S170-T174 VanDerWaalsContact N-O 3.15Å; D172-T174 PolarHBondContact O-N 3.42Å; D172-T174 WeakPolarHBondContact OD1-CA 3.3Å; D172-T174 VanDerWaalsContact OD1-CB 3.29Å; D172-T174 WeakPolarHBondContact OD1-CB 2.99Å; D172-T174 PolarHBondContact OD1-N 3.07Å; D172-T174 PolarHBondContact OD1-OG1 3.15Å; T174-L198 CarbonylContact C-O 3.56Å; T174-L198 VanDerWaalsContact CA-O 3.24Å; T174-L198 WeakPolarHBondContact CA-O 3.21Å | ||
| 175 | I | 98.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 135.7 | 164 | -56.3 | 167 | 0 | 0 | 0 | 107.3 | I167 S168 S197 L198 V205 L208 F216 S218 W228 | I167-I175 HydrophobicContact CG2-CG2 3.43Å; I167-I175 VanDerWaalsContact CG2-CG2 3.43Å; S168-I175 CarbonylContact O-C 3.49Å; S168-I175 VanDerWaalsContact O-CA 3.23Å; S168-I175 WeakPolarHBondContact O-CA 3.35Å; I175-S197 CarbonylContact O-C 3.55Å; I175-S197 WeakPolarHBondContact O-CA 3.45Å; I175-L198 HydrophobicContact CB-CB 4.08Å; I175-L198 HydrophobicContact CB-CD1 4.04Å; I175-L198 HydrophobicContact CB-CG 4.17Å; I175-L198 HydrophobicContact CD1-CD1 4.47Å; I175-L198 HydrophobicContact CG2-CD1 4.06Å; I175-L198 PolarHBondContact N-O 3.35Å; I175-L198 PolarHBondContact O-N 2.79Å; I175-V205 HydrophobicContact CD1-CG1 4.34Å; I175-V205 HydrophobicContact CG1-CB 4.49Å; I175-V205 HydrophobicContact CG1-CG1 4.04Å; I175-V205 HydrophobicContact CG1-CG2 3.96Å; I175-L208 HydrophobicContact CD1-CD2 4.44Å; I175-L208 HydrophobicContact CG2-CD2 4.46Å; I175-F216 HydrophobicContact CD1-CE2 4.37Å; I175-F216 HydrophobicContact CG2-CE2 4.18Å; I175-F216 HydrophobicContact CG2-CZ 4.24Å; I175-S218 VanDerWaalsContact CD1-CB 3.43Å; I175-S218 WeakPolarHBondContact CD1-OG 3.35Å; I175-W228 HydrophobicContact CD1-CZ2 4.03Å |
| 176 | R | 98.4 | Very high | 91.8 | Very high | 39 Ų | 39 | 36.7 Ų | 36.7 | 15% | 0.147 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 134.4 | 176.4 | -70.1 | -176.1 | 176.2 | -145.2 | 1.5 | 110.8 | G141 I167 S168 W178 L194 | G141-R176 VanDerWaalsContact C-NH1 3.25Å; G141-R176 PolarHBondContact O-NH1 2.81Å; G141-R176 PolarHBondContact O-NH2 2.98Å; I167-R176 CarbonylContact C-O 3.59Å; I167-R176 VanDerWaalsContact CA-O 3.28Å; I167-R176 WeakPolarHBondContact CA-O 3.4Å; S168-R176 PolarHBondContact N-O 3.37Å; S168-R176 PolarHBondContact O-N 3.25Å; R176-W178 HydrophobicContact CB-CD2 4.48Å; R176-W178 HydrophobicContact CB-CZ2 3.7Å; R176-W178 HydrophobicContact CG-CZ2 4.14Å; R176-L194 HydrophobicContact CB-CD1 3.84Å; R176-L194 HydrophobicContact CG-CD1 4.1Å |
| 177 | I | 97.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 115.8 | 176.6 | -53.4 | -176.6 | 0 | 0 | 0 | 107.9 | I165 I167 L195 N196 L198 F216 A230 | I165-I177 HydrophobicContact CG2-CG2 3.74Å; I167-I177 HydrophobicContact CD1-CG1 4.46Å; I167-I177 HydrophobicContact CG1-CG1 4.32Å; I167-I177 HydrophobicContact CG1-CG2 4.38Å; I167-I177 HydrophobicContact CG2-CG1 4.46Å; I177-L195 HydrophobicContact CB-CB 4.49Å; I177-L195 HydrophobicContact CG2-CB 4.31Å; I177-L195 HydrophobicContact CG2-CD1 4.18Å; I177-L195 PolarHBondContact O-N 3.17Å; I177-N196 HydrophobicContact CB-CB 4.36Å; I177-N196 HydrophobicContact CD1-CB 4.27Å; I177-N196 HydrophobicContact CG1-CB 4.41Å; I177-N196 PolarHBondContact N-O 2.98Å; I177-N196 PolarHBondContact O-N 3.38Å; I177-L198 HydrophobicContact CD1-CD1 4.31Å; I177-F216 HydrophobicContact CD1-CE1 4.14Å; I177-F216 HydrophobicContact CD1-CZ 4.41Å; I177-A230 HydrophobicContact CD1-CB 4.39Å |
| 178 | W | 96.3 | Very high | 88.9 | Confident | 11 Ų | 11 | 48.1 Ų | 48.1 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 136.6 | -176.9 | -44.1 | 86.5 | 0 | 0 | 0 | 109.4 | L139 T140 I165 V166 S168 R176 L180 I192 I193 L194 | L139-W178 HydrophobicContact CB-CD2 4.3Å; L139-W178 HydrophobicContact CB-CE3 4.39Å; L139-W178 HydrophobicContact CB-CH2 4.48Å; L139-W178 HydrophobicContact CB-CZ2 4.38Å; L139-W178 HydrophobicContact CB-CZ3 4.48Å; L139-W178 HydrophobicContact CD1-CB 4.02Å; L139-W178 HydrophobicContact CD1-CD2 4Å; L139-W178 HydrophobicContact CD1-CG 3.7Å; T140-W178 VanDerWaalsContact O-CH2 3.27Å; T140-W178 WeakPolarHBondContact O-CH2 3.15Å; I165-W178 WeakPolarHBondContact CA-O 3.5Å; V166-W178 HydrophobicContact CB-CB 4.31Å; V166-W178 PolarHBondContact N-O 2.82Å; V166-W178 VanDerWaalsContact O-CD1 3.26Å; V166-W178 PolarHBondContact O-N 2.89Å; S168-W178 PolarHBondContact OG-NE1 2.89Å; R176-W178 HydrophobicContact CB-CD2 4.48Å; R176-W178 HydrophobicContact CB-CZ2 3.7Å; R176-W178 HydrophobicContact CG-CZ2 4.14Å; W178-L180 HydrophobicContact CB-CD1 4.1Å; W178-I192 HydrophobicContact CE3-CG2 4.08Å; W178-I193 CarbonylContact C-O 3.53Å; W178-I193 WeakPolarHBondContact CA-O 3.27Å; W178-L194 HydrophobicContact CD2-CD1 3.97Å; W178-L194 HydrophobicContact CE3-CB 4.14Å; W178-L194 HydrophobicContact CE3-CD1 3.82Å; W178-L194 HydrophobicContact CH2-CD1 4.19Å; W178-L194 HydrophobicContact CZ2-CD1 4.34Å; W178-L194 HydrophobicContact CZ3-CB 4.19Å; W178-L194 HydrophobicContact CZ3-CD1 3.93Å |
| 179 | C | 94.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 128 | 165.6 | 175 | 0 | 0 | 0 | 0 | 109.2 | T158 D163 M164 I165 I193 L195 | T158-C179 HydrophobicContact CG2-CB 4.47Å; D163-C179 VanDerWaalsContact CG-SG 3.56Å; D163-C179 PolarHBondContact OD2-SG 3.15Å; M164-C179 WeakPolarHBondContact O-CA 3.45Å; I165-C179 HydrophobicContact CD1-CB 3.78Å; C179-I193 HydrophobicContact CB-CB 4.3Å; C179-I193 PolarHBondContact N-O 3.16Å; C179-I193 PolarHBondContact O-N 3.35Å; C179-L195 HydrophobicContact CB-CD1 3.92Å; C179-L195 HydrophobicContact CB-CD2 4.06Å; C179-L195 HydrophobicContact CB-CG 3.93Å |
| 180 | L | 91.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 122.3 | 172.5 | -77 | 77.7 | 0 | 0 | 0 | 109.1 | I129 L139 M164 V166 W178 D191 | I129-L180 HydrophobicContact CD1-CD2 4.08Å; I129-L180 HydrophobicContact CG1-CD2 3.73Å; L139-L180 HydrophobicContact CD1-CD1 4.23Å; L139-L180 HydrophobicContact CD2-CD1 4.11Å; L139-L180 HydrophobicContact CD2-CD2 4.3Å; L139-L180 HydrophobicContact CD2-CG 4.43Å; M164-L180 HydrophobicContact CB-CB 4.38Å; M164-L180 HydrophobicContact CE-CB 4.46Å; M164-L180 HydrophobicContact CE-CD1 4.4Å; M164-L180 HydrophobicContact CE-CD2 3.87Å; M164-L180 HydrophobicContact CE-CG 4.48Å; M164-L180 PolarHBondContact N-O 3.18Å; M164-L180 PolarHBondContact O-N 3.29Å; V166-L180 HydrophobicContact CB-CD1 4.33Å; V166-L180 HydrophobicContact CG2-CD1 3.9Å; W178-L180 HydrophobicContact CB-CD1 4.1Å; L180-D191 WeakPolarHBondContact CA-O 3.33Å |
| 181 | R | 89.2 | Confident | 86.8 | Confident | 83 Ų | 83 | 60.8 Ų | 60.8 | 31% | 0.313 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 143.2 | 177.5 | -50.6 | -161 | 162.7 | 142 | -4.1 | 111.3 | D163 L183 P190 D191 I193 | D163-R181 VanDerWaalsContact OD1-CD 3.29Å; D163-R181 WeakPolarHBondContact OD1-CD 3.15Å; D163-R181 WeakPolarHBondContact OD1-CG 2.92Å; D163-R181 IonicContact OD1-NE 3.8Å; D163-R181 PolarHBondContact OD1-NE 3.1Å; D163-R181 IonicContact OD2-CZ 3.18Å; D163-R181 IonicContact OD2-NE 3.84Å; D163-R181 PolarHBondContact OD2-NE 2.87Å; D163-R181 IonicContact OD2-NH2 3.17Å; D163-R181 PolarHBondContact OD2-NH2 3.49Å; R181-L183 PolarHBondContact O-N 3.33Å; R181-P190 CarbonylContact O-C 3.54Å; R181-P190 WeakPolarHBondContact O-CA 3.21Å; R181-P190 VanDerWaalsContact O-CB 3.31Å; R181-P190 WeakPolarHBondContact O-CB 3.39Å; R181-D191 HydrophobicContact CB-CB 4.28Å; R181-D191 PolarHBondContact N-O 2.74Å; R181-D191 PolarHBondContact O-N 3.26Å; R181-I193 HydrophobicContact CG-CD1 4.42Å |
| 182 | G | 84.2 | Confident | 86.5 | Confident | 13 Ų | 13 | 63 Ų | 63 | 13% | 0.134 | 32% | 0.32 | C | S | . | . | trans | 77.3 | 15.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | N184 Q185 | G182-N184 PolarHBondContact O-N 2.74Å; G182-N184 VanDerWaalsContact O-N 3.12Å; G182-Q185 WeakPolarHBondContact O-CB 3.31Å; G182-Q185 PolarHBondContact O-N 3.48Å | ||
| 183 | L | 81 | Confident | 86.4 | Confident | 17 Ų | 17 | 64.4 Ų | 64.4 | 9% | 0.089 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -26.3 | 178.9 | -170.2 | 68.6 | 0 | 0 | 0 | 113.5 | T117 I129 K131 V136 M164 R181 P190 | T117-L183 HydrophobicContact CG2-CD2 4.1Å; I129-L183 HydrophobicContact CG2-CD1 4.19Å; I129-L183 HydrophobicContact CG2-CD2 4.3Å; K131-L183 PolarHBondContact NZ-O 2.8Å; V136-L183 HydrophobicContact CG2-CD1 3.91Å; M164-L183 HydrophobicContact CE-CD2 4.23Å; M164-L183 HydrophobicContact SD-CD2 4.03Å; R181-L183 PolarHBondContact O-N 3.33Å; L183-P190 HydrophobicContact CD1-CB 4.28Å; L183-P190 HydrophobicContact CD1-CG 4.03Å |
| 184 | N | 75.9 | Confident | 86.2 | Confident | 114 Ų | 114 | 61.4 Ų | 61.4 | 61% | 0.61 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 0.8 | 178.2 | -66.3 | -28.5 | 0 | 0 | 0 | 113.5 | G182 | G182-N184 PolarHBondContact O-N 2.74Å; G182-N184 VanDerWaalsContact O-N 3.12Å |
| 185 | Q | 74.4 | Confident | 86.1 | Confident | 121 Ų | 121 | 63.2 Ų | 63.2 | 57% | 0.565 | 33% | 0.329 | S | S | * | . | trans | -92.2 | 123.8 | 176.1 | -59.7 | 178 | 12.2 | 0 | 0 | 108.9 | G182 I187 | G182-Q185 WeakPolarHBondContact O-CB 3.31Å; G182-Q185 PolarHBondContact O-N 3.48Å; Q185-I187 PolarHBondContact O-N 2.68Å | ||
| 186 | D | 64.8 | Low | 85.9 | Confident | 153 Ų | 153 | 65.4 Ų | 65.4 | 82% | 0.818 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -5.6 | -173.7 | -66.7 | -33.9 | 0 | 0 | 0 | 114.2 | ||
| 187 | I | 62.1 | Low | 85.9 | Confident | 168 Ų | 168 | 66.3 Ų | 66.3 | 86% | 0.862 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -19.9 | -163.3 | -54.8 | 172.1 | 0 | 0 | 0 | 112.5 | Q185 | Q185-I187 PolarHBondContact O-N 2.68Š|
| 188 | S | 69.2 | Low | 85.9 | Confident | 73 Ų | 73 | 66.8 Ų | 66.8 | 51% | 0.51 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -146.5 | 156.4 | -175 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 189 | L | 77.5 | Confident | 85.9 | Confident | 139 Ų | 139 | 72 Ų | 72 | 73% | 0.728 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -58 | 145.4 | 166.6 | -72.6 | 166.1 | 0 | 0 | 0 | 109.6 | V136 | V136-L189 WeakPolarHBondContact O-CD2 3.38Š|
| 190 | P | 85.2 | Confident | 85.9 | Confident | 15 Ų | 15 | 75 Ų | 75 | 10% | 0.097 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 142.1 | 178.1 | 28.4 | -34.5 | 0 | 0 | 0 | 110.9 | R181 L183 | R181-P190 CarbonylContact O-C 3.54Å; R181-P190 WeakPolarHBondContact O-CA 3.21Å; R181-P190 VanDerWaalsContact O-CB 3.31Å; R181-P190 WeakPolarHBondContact O-CB 3.39Å; L183-P190 HydrophobicContact CD1-CB 4.28Å; L183-P190 HydrophobicContact CD1-CG 4.03Å |
| 191 | D | 89.4 | Confident | 86.1 | Confident | 112 Ų | 112 | 75.3 Ų | 75.3 | 60% | 0.599 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 129.1 | 170.8 | -70.4 | -32.2 | 0 | 0 | 0 | 109.2 | L180 R181 | L180-D191 WeakPolarHBondContact CA-O 3.33Å; R181-D191 HydrophobicContact CB-CB 4.28Å; R181-D191 PolarHBondContact N-O 2.74Å; R181-D191 PolarHBondContact O-N 3.26Å |
| 192 | I | 93 | Very high | 86.3 | Confident | 71 Ų | 71 | 78.4 Ų | 78.4 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 120.5 | -178.8 | -55.9 | 162 | 0 | 0 | 0 | 108.6 | S137 L139 W178 | S137-I192 WeakPolarHBondContact OG-CD1 3.49Å; L139-I192 HydrophobicContact CD2-CD1 3.82Å; L139-I192 HydrophobicContact CD2-CG1 3.98Å; L139-I192 HydrophobicContact CD2-CG2 3.71Å; W178-I192 HydrophobicContact CE3-CG2 4.08Å |
| 193 | I | 93.9 | Very high | 86.8 | Confident | 59 Ų | 59 | 80.1 Ų | 80.1 | 30% | 0.303 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 119.1 | -179.6 | -53.3 | 169.4 | 0 | 0 | 0 | 108.1 | W178 C179 R181 L195 | W178-I193 CarbonylContact C-O 3.53Å; W178-I193 WeakPolarHBondContact CA-O 3.27Å; C179-I193 HydrophobicContact CB-CB 4.3Å; C179-I193 PolarHBondContact N-O 3.16Å; C179-I193 PolarHBondContact O-N 3.35Å; R181-I193 HydrophobicContact CG-CD1 4.42Å; I193-L195 HydrophobicContact CG2-CD2 3.99Å; I193-L195 PolarHBondContact O-N 3.11Å |
| 194 | L | 95.8 | Very high | 87.5 | Confident | 77 Ų | 77 | 80.3 Ų | 80.3 | 40% | 0.403 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 109.2 | 168.2 | -179.5 | 67.9 | 0 | 0 | 0 | 108.2 | R176 W178 N196 | R176-L194 HydrophobicContact CB-CD1 3.84Å; R176-L194 HydrophobicContact CG-CD1 4.1Å; W178-L194 HydrophobicContact CD2-CD1 3.97Å; W178-L194 HydrophobicContact CE3-CB 4.14Å; W178-L194 HydrophobicContact CE3-CD1 3.82Å; W178-L194 HydrophobicContact CH2-CD1 4.19Å; W178-L194 HydrophobicContact CZ2-CD1 4.34Å; W178-L194 HydrophobicContact CZ3-CB 4.19Å; W178-L194 HydrophobicContact CZ3-CD1 3.93Å; L194-N196 WeakPolarHBondContact CD1-O 3.3Å |
| 195 | L | 94.9 | Very high | 88.6 | Confident | 61 Ų | 61 | 74.9 Ų | 74.9 | 32% | 0.319 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | -53.2 | 178.6 | -61.5 | -178.2 | 0 | 0 | 0 | 110.3 | I157 T158 I165 I177 C179 I193 | I157-L195 HydrophobicContact CG2-CD1 4.13Å; T158-L195 HydrophobicContact CG2-CD1 4.02Å; I165-L195 HydrophobicContact CD1-CD1 3.88Å; I177-L195 HydrophobicContact CB-CB 4.49Å; I177-L195 HydrophobicContact CG2-CB 4.31Å; I177-L195 HydrophobicContact CG2-CD1 4.18Å; I177-L195 PolarHBondContact O-N 3.17Å; C179-L195 HydrophobicContact CB-CD1 3.92Å; C179-L195 HydrophobicContact CB-CD2 4.06Å; C179-L195 HydrophobicContact CB-CG 3.93Å; I193-L195 HydrophobicContact CG2-CD2 3.99Å; I193-L195 PolarHBondContact O-N 3.11Å |
| 196 | N | 95.9 | Very high | 89.8 | Confident | 48 Ų | 48 | 71 Ų | 71 | 26% | 0.257 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 152.3 | -176.1 | -72.8 | 59 | 0 | 0 | 0 | 111.7 | I177 L194 L198 T232 G233 | I177-N196 HydrophobicContact CB-CB 4.36Å; I177-N196 HydrophobicContact CD1-CB 4.27Å; I177-N196 HydrophobicContact CG1-CB 4.41Å; I177-N196 PolarHBondContact N-O 2.98Å; I177-N196 PolarHBondContact O-N 3.38Å; L194-N196 WeakPolarHBondContact CD1-O 3.3Å; N196-L198 HydrophobicContact CB-CD2 3.89Å; N196-T232 PolarHBondContact ND2-O 2.67Å; N196-G233 WeakPolarHBondContact ND2-CA 3.3Å |
| 197 | S | 97.1 | Very high | 91.3 | Very high | 58 Ų | 58 | 64.1 Ų | 64.1 | 41% | 0.406 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 116.1 | 164.7 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | I175 | I175-S197 CarbonylContact O-C 3.55Å; I175-S197 WeakPolarHBondContact O-CA 3.45Å |
| 198 | L | 97.7 | Very high | 93.1 | Very high | 10 Ų | 10 | 57 Ų | 57 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 128.4 | -175.1 | -35.9 | 178.3 | 0 | 0 | 0 | 108.4 | T174 I175 I177 N196 F216 W228 G233 | T174-L198 CarbonylContact C-O 3.56Å; T174-L198 VanDerWaalsContact CA-O 3.24Å; T174-L198 WeakPolarHBondContact CA-O 3.21Å; I175-L198 HydrophobicContact CB-CB 4.08Å; I175-L198 HydrophobicContact CB-CD1 4.04Å; I175-L198 HydrophobicContact CB-CG 4.17Å; I175-L198 HydrophobicContact CD1-CD1 4.47Å; I175-L198 HydrophobicContact CG2-CD1 4.06Å; I175-L198 PolarHBondContact N-O 3.35Å; I175-L198 PolarHBondContact O-N 2.79Å; I177-L198 HydrophobicContact CD1-CD1 4.31Å; N196-L198 HydrophobicContact CB-CD2 3.89Å; L198-F216 HydrophobicContact CD1-CZ 3.82Å; L198-W228 HydrophobicContact CB-CE3 4.48Å; L198-W228 HydrophobicContact CB-CH2 3.94Å; L198-W228 HydrophobicContact CB-CZ2 4.5Å; L198-W228 HydrophobicContact CB-CZ3 3.94Å; L198-W228 HydrophobicContact CD1-CD2 3.74Å; L198-W228 HydrophobicContact CD1-CE3 3.6Å; L198-W228 HydrophobicContact CD1-CG 4.22Å; L198-W228 HydrophobicContact CD1-CH2 4.36Å; L198-W228 HydrophobicContact CD1-CZ3 3.93Å; L198-W228 HydrophobicContact CG-CE3 4.45Å; L198-W228 HydrophobicContact CG-CZ3 4.36Å; L198-G233 VanDerWaalsContact CD2-O 3.3Å; L198-G233 WeakPolarHBondContact CD2-O 3.45Å |
| 199 | N | 96.4 | Very high | 94.4 | Very high | 119 Ų | 119 | 53.9 Ų | 53.9 | 64% | 0.636 | 28% | 0.282 | S | S | * | . | trans | -132 | 26.2 | -169.3 | 63.2 | -14 | 0 | 0 | 0 | 112.8 | ||||
| 200 | E | 94.9 | Very high | 95.2 | Very high | 64 Ų | 64 | 52.8 Ų | 52.8 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | trans | -79.4 | -35.4 | -177.3 | -56.5 | -175.3 | -178 | 0 | 0 | 113 | K202 R226 W228 C235 | E200-K202 WeakPolarHBondContact O-CE 3.37Å; E200-K202 PolarHBondContact O-NZ 3.33Å; E200-R226 IonicContact OE2-CZ 3.17Å; E200-R226 IonicContact OE2-NH1 3.28Å; E200-R226 PolarHBondContact OE2-NH1 3.13Å; E200-W228 HydrophobicContact CB-CH2 3.78Å; E200-W228 HydrophobicContact CG-CH2 3.69Å; E200-W228 HydrophobicContact CG-CZ3 4.12Å; E200-C235 WeakPolarHBondContact OE2-CB 3.49Å | ||
| 201 | H | 95.7 | Very high | 95.6 | Very high | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.028 | 27% | 0.271 | C | S | . | . | trans | -57.1 | 142.3 | 175.1 | -85.8 | -58.5 | 0 | 0 | 0 | 111.6 | V205 S218 S220 D222 S224 | H201-V205 HydrophobicContact CB-CG2 4.21Å; H201-S218 PolarHBondContact CD2-OG 3.32Å; H201-S218 PolarHBondContact NE2-OG 3.2Å; H201-S220 VanDerWaalsContact CE1-CB 3.45Å; H201-S220 WeakPolarHBondContact CE1-CB 3.44Å; H201-S220 WeakPolarHBondContact ND1-CB 3.47Å; H201-D222 WeakPolarHBondContact CA-OD2 3.21Å; H201-D222 IonicContact CE1-OD1 3.88Å; H201-D222 IonicContact CE1-OD2 3.27Å; H201-D222 IonicContact CG-OD2 3.62Å; H201-D222 IonicContact ND1-OD1 3.18Å; H201-D222 PolarHBondContact ND1-OD1 3Å; H201-D222 IonicContact ND1-OD2 2.87Å; H201-D222 PolarHBondContact ND1-OD2 3Å; H201-S224 PolarHBondContact CE1-OG 3.47Å; H201-S224 VanDerWaalsContact CE1-OG 3.29Å; H201-S224 PolarHBondContact ND1-OG 2.81Å | ||
| 202 | K | 92.9 | Very high | 95.7 | Very high | 148 Ų | 148 | 50.2 Ų | 50.2 | 64% | 0.643 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -96.4 | -8.6 | -176.1 | -56.5 | -52.1 | 177.8 | -144.4 | 0 | 113.7 | R173 E200 D222 | R173-K202 WeakPolarHBondContact CD-O 3.36Å; E200-K202 WeakPolarHBondContact O-CE 3.37Å; E200-K202 PolarHBondContact O-NZ 3.33Å; K202-D222 HydrophobicContact CB-CB 4.13Å; K202-D222 PolarHBondContact N-OD2 2.61Å |
| 203 | D | 95.2 | Very high | 95.4 | Very high | 49 Ų | 49 | 50.4 Ų | 50.4 | 26% | 0.262 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -147.2 | 179.6 | 176.8 | -152.6 | -19.8 | 0 | 0 | 0 | 110.9 | V205 S220 N221 D222 | D203-V205 PolarHBondContact O-N 3.25Å; D203-S220 VanDerWaalsContact C-OG 3.27Å; D203-S220 PolarHBondContact O-OG 2.9Å; D203-N221 HydrophobicContact CB-CB 3.75Å; D203-D222 HydrophobicContact CB-CB 4.12Å |
| 204 | C | 96.7 | Very high | 95.3 | Very high | 22 Ų | 22 | 49 Ų | 49 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | trans | -45.3 | 129.8 | -176.1 | -59.1 | 0 | 0 | 0 | 0 | 112.5 | A171 S220 N221 | A171-C204 HydrophobicContact CB-CB 4.49Å; C204-S220 CarbonylContact O-C 3.58Å; C204-S220 WeakPolarHBondContact O-CA 3.43Å; C204-S220 WeakPolarHBondContact O-CB 3.3Å; C204-S220 PolarHBondContact O-OG 3.03Å; C204-N221 HydrophobicContact CB-CB 4.31Å; C204-N221 PolarHBondContact O-N 2.77Å | ||
| 205 | V | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 127.8 | 172.9 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | W147 S170 I175 H201 D203 | W147-V205 WeakPolarHBondContact CB-O 3.37Å; S170-V205 PolarHBondContact O-N 3.17Å; I175-V205 HydrophobicContact CD1-CG1 4.34Å; I175-V205 HydrophobicContact CG1-CB 4.49Å; I175-V205 HydrophobicContact CG1-CG1 4.04Å; I175-V205 HydrophobicContact CG1-CG2 3.96Å; H201-V205 HydrophobicContact CB-CG2 4.21Å; D203-V205 PolarHBondContact O-N 3.25Å |
| 206 | R | 98.1 | Very high | 95.3 | Very high | 39 Ų | 39 | 44.8 Ų | 44.8 | 15% | 0.147 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | -32.3 | -167.3 | -67.5 | -62.2 | -61.9 | -82.5 | -9.3 | 114.6 | A219 N221 V246 | R206-A219 PolarHBondContact N-O 2.94Å; R206-N221 VanDerWaalsContact CG-OD1 3.26Å; R206-N221 WeakPolarHBondContact CG-OD1 3.33Å; R206-N221 PolarHBondContact NH1-OD1 2.82Å; R206-N221 VanDerWaalsContact NH1-OD1 3.14Å; R206-V246 VanDerWaalsContact CB-O 3.23Å; R206-V246 WeakPolarHBondContact CB-O 3.45Å |
| 207 | A | 98.2 | Very high | 95.4 | Very high | 9 Ų | 9 | 42.5 Ų | 42.5 | 7% | 0.074 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 154.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S218 A219 L249 | A207-S218 WeakPolarHBondContact O-CA 3.27Å; A207-A219 HydrophobicContact CB-CB 4.23Å; A207-A219 PolarHBondContact N-O 3.01Å; A207-A219 PolarHBondContact O-N 2.89Å; A207-L249 HydrophobicContact CB-CB 4Å; A207-L249 HydrophobicContact CB-CD1 4.28Å; A207-L249 HydrophobicContact CB-CG 4.11Å |
| 208 | L | 98.2 | Very high | 95.5 | Very high | 18 Ų | 18 | 39.7 Ų | 39.7 | 9% | 0.094 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 144.5 | 173.1 | -68.6 | 165 | 0 | 0 | 0 | 108.7 | C148 L150 I167 I175 F216 L217 | C148-L208 HydrophobicContact CB-CD1 4.38Å; C148-L208 HydrophobicContact CB-CG 4.35Å; L150-L208 HydrophobicContact CB-CB 4.04Å; L150-L208 HydrophobicContact CB-CD1 4.18Å; L150-L208 HydrophobicContact CD2-CB 4.39Å; I167-L208 HydrophobicContact CB-CD1 4.35Å; I167-L208 HydrophobicContact CG2-CD1 3.87Å; I167-L208 HydrophobicContact CG2-CD2 4.32Å; I175-L208 HydrophobicContact CD1-CD2 4.44Å; I175-L208 HydrophobicContact CG2-CD2 4.46Å; L208-F216 HydrophobicContact CD2-CD2 3.79Å; L208-F216 HydrophobicContact CD2-CE2 3.79Å; L208-L217 VanDerWaalsContact CA-O 3.25Å; L208-L217 WeakPolarHBondContact CA-O 3.3Å |
| 209 | A | 96.8 | Very high | 95.5 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 6% | 0.058 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 138.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F216 L217 L249 C251 | A209-F216 CarbonylContact O-C 3.52Å; A209-F216 VanDerWaalsContact O-CA 3.3Å; A209-F216 WeakPolarHBondContact O-CA 3.46Å; A209-F216 WeakPolarHBondContact O-CB 3.47Å; A209-L217 HydrophobicContact CB-CB 4.48Å; A209-L217 PolarHBondContact N-O 2.77Å; A209-L217 PolarHBondContact O-N 3.17Å; A209-L249 HydrophobicContact CB-CB 3.83Å; A209-C251 HydrophobicContact CB-CB 4.39Å |
| 210 | R | 94.5 | Very high | 95.5 | Very high | 116 Ų | 116 | 33.6 Ų | 33.6 | 44% | 0.438 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 130 | 178.1 | -172.1 | 173.9 | 66.2 | 176.6 | 0.9 | 110.4 | L150 M152 D212 C251 | L150-R210 HydrophobicContact CD1-CB 4.1Å; L150-R210 HydrophobicContact CD2-CB 4.14Å; M152-R210 HydrophobicContact CE-CG 4.49Å; R210-D212 WeakPolarHBondContact CD-O 3.26Å; R210-D212 WeakPolarHBondContact CG-O 3.44Å; R210-C251 WeakPolarHBondContact O-CB 3.32Å |
| 211 | I | 93.7 | Very high | 95.6 | Very high | 30 Ų | 30 | 31.6 Ų | 31.6 | 15% | 0.154 | 15% | 0.152 | C | C | . | . | trans | -86.1 | -50.5 | 169.8 | -59.4 | 175.6 | 0 | 0 | 0 | 108.7 | R215 L217 A227 L272 W278 | I211-R215 HydrophobicContact CB-CB 4.06Å; I211-R215 WeakPolarHBondContact CB-O 3.27Å; I211-R215 HydrophobicContact CD1-CB 4.19Å; I211-R215 PolarHBondContact N-O 3.33Å; I211-L217 HydrophobicContact CD1-CD2 3.84Å; I211-L217 HydrophobicContact CD1-CG 3.81Å; I211-L217 HydrophobicContact CG1-CD1 4.3Å; I211-L217 HydrophobicContact CG1-CD2 4.42Å; I211-L217 HydrophobicContact CG1-CG 3.84Å; I211-A227 HydrophobicContact CD1-CB 4.38Å; I211-L272 HydrophobicContact CD1-CD2 4.3Å; I211-L272 HydrophobicContact CG1-CD2 4.22Å; I211-L272 HydrophobicContact CG2-CD1 4.4Å; I211-L272 HydrophobicContact CG2-CD2 4.09Å; I211-W278 HydrophobicContact CD1-CH2 3.8Å; I211-W278 HydrophobicContact CD1-CZ2 4.06Å | ||
| 212 | D | 91 | Very high | 95.3 | Very high | 43 Ų | 43 | 33.3 Ų | 33.3 | 23% | 0.23 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -158.1 | -160.2 | 178.4 | 56.5 | 46.9 | 0 | 0 | 0 | 110.4 | M152 R210 S214 R215 | M152-D212 WeakPolarHBondContact CE-O 3.36Å; R210-D212 WeakPolarHBondContact CD-O 3.26Å; R210-D212 WeakPolarHBondContact CG-O 3.44Å; D212-S214 VanDerWaalsContact C-N 3.28Å; D212-S214 PolarHBondContact O-N 2.7Å; D212-S214 PolarHBondContact OD1-N 3.26Å; D212-R215 PolarHBondContact N-O 3.14Å; D212-R215 WeakPolarHBondContact OD1-CB 3.44Å; D212-R215 PolarHBondContact OD1-N 2.82Å; D212-R215 IonicContact OD1-NE 2.85Å; D212-R215 IonicContact OD2-CZ 3.56Å; D212-R215 IonicContact OD2-NE 3.13Å; D212-R215 PolarHBondContact OD2-NE 3Å; D212-R215 IonicContact OD2-NH2 2.69Å; D212-R215 PolarHBondContact OD2-NH2 3.18Å |
| 213 | D | 87.7 | Confident | 95 | Very high | 75 Ų | 75 | 27.3 Ų | 27.3 | 40% | 0.401 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -70.3 | -14.5 | -175.7 | -67.5 | -26.6 | 0 | 0 | 0 | 115.2 | M152 N156 | M152-D213 VanDerWaalsContact CE-C 3.46Å; M152-D213 WeakPolarHBondContact CE-O 3.47Å; N156-D213 HydrophobicContact CB-CB 4.46Å; N156-D213 WeakPolarHBondContact ND2-CB 3.25Å |
| 214 | S | 91.7 | Very high | 94.7 | Very high | 30 Ų | 30 | 25.2 Ų | 25.2 | 21% | 0.21 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -129.3 | -9.1 | 179 | 66.6 | 0 | 0 | 0 | 0 | 114.3 | D212 A230 | D212-S214 VanDerWaalsContact C-N 3.28Å; D212-S214 PolarHBondContact O-N 2.7Å; D212-S214 PolarHBondContact OD1-N 3.26Å; S214-A230 VanDerWaalsContact O-CB 3.27Å; S214-A230 WeakPolarHBondContact O-CB 3.18Å; S214-A230 PolarHBondContact O-N 2.97Å |
| 215 | R | 94 | Very high | 94.8 | Very high | 49 Ų | 49 | 24.2 Ų | 24.2 | 19% | 0.185 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 144 | -177.6 | -61.7 | 176.5 | -69.3 | -171.7 | -0.3 | 113.1 | I211 D212 W228 I236 | I211-R215 HydrophobicContact CB-CB 4.06Å; I211-R215 WeakPolarHBondContact CB-O 3.27Å; I211-R215 HydrophobicContact CD1-CB 4.19Å; I211-R215 PolarHBondContact N-O 3.33Å; D212-R215 PolarHBondContact N-O 3.14Å; D212-R215 WeakPolarHBondContact OD1-CB 3.44Å; D212-R215 PolarHBondContact OD1-N 2.82Å; D212-R215 IonicContact OD1-NE 2.85Å; D212-R215 IonicContact OD2-CZ 3.56Å; D212-R215 IonicContact OD2-NE 3.13Å; D212-R215 PolarHBondContact OD2-NE 3Å; D212-R215 IonicContact OD2-NH2 2.69Å; D212-R215 PolarHBondContact OD2-NH2 3.18Å; R215-W228 VanDerWaalsContact CA-O 3.26Å; R215-W228 WeakPolarHBondContact CA-O 3.21Å; R215-I236 HydrophobicContact CG-CD1 3.88Å |
| 216 | F | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 162.6 | 177.1 | 70.9 | -85.1 | 0 | 0 | 0 | 112.2 | L150 M152 I167 I175 I177 L198 L208 A209 A227 W228 A230 | L150-F216 HydrophobicContact CD2-CB 3.84Å; L150-F216 HydrophobicContact CD2-CG 4.49Å; M152-F216 HydrophobicContact SD-CB 4.24Å; M152-F216 HydrophobicContact SD-CD1 4.22Å; I167-F216 HydrophobicContact CD1-CD1 3.57Å; I167-F216 HydrophobicContact CD1-CD2 4.44Å; I167-F216 HydrophobicContact CD1-CE1 3.6Å; I167-F216 HydrophobicContact CD1-CE2 4.47Å; I167-F216 HydrophobicContact CD1-CG 4.01Å; I167-F216 HydrophobicContact CD1-CZ 4.07Å; I167-F216 HydrophobicContact CG2-CE2 4.12Å; I167-F216 HydrophobicContact CG2-CZ 4.16Å; I175-F216 HydrophobicContact CD1-CE2 4.37Å; I175-F216 HydrophobicContact CG2-CE2 4.18Å; I175-F216 HydrophobicContact CG2-CZ 4.24Å; I177-F216 HydrophobicContact CD1-CE1 4.14Å; I177-F216 HydrophobicContact CD1-CZ 4.41Å; L198-F216 HydrophobicContact CD1-CZ 3.82Å; L208-F216 HydrophobicContact CD2-CD2 3.79Å; L208-F216 HydrophobicContact CD2-CE2 3.79Å; A209-F216 CarbonylContact O-C 3.52Å; A209-F216 VanDerWaalsContact O-CA 3.3Å; A209-F216 WeakPolarHBondContact O-CA 3.46Å; A209-F216 WeakPolarHBondContact O-CB 3.47Å; F216-A227 CarbonylContact O-C 3.59Å; F216-A227 WeakPolarHBondContact O-CA 3.46Å; F216-W228 HydrophobicContact CD1-CB 3.87Å; F216-W228 HydrophobicContact CD2-CB 4.3Å; F216-W228 AromaticContact CD2-CD1 3.85Å; F216-W228 HydrophobicContact CD2-CG 4.38Å; F216-W228 HydrophobicContact CE1-CB 3.39Å; F216-W228 HydrophobicContact CE1-CG 4.1Å; F216-W228 HydrophobicContact CE2-CB 3.87Å; F216-W228 AromaticContact CE2-CD1 3.35Å; F216-W228 AromaticContact CE2-CG 3.71Å; F216-W228 HydrophobicContact CE2-CG 3.71Å; F216-W228 HydrophobicContact CG-CB 4.31Å; F216-W228 HydrophobicContact CZ-CB 3.39Å; F216-W228 AromaticContact CZ-CD1 3.72Å; F216-W228 HydrophobicContact CZ-CD2 4.43Å; F216-W228 AromaticContact CZ-CG 3.56Å; F216-W228 HydrophobicContact CZ-CG 3.56Å; F216-W228 PolarHBondContact N-O 3.22Å; F216-W228 VanDerWaalsContact N-O 3.15Å; F216-W228 PolarHBondContact O-N 3.05Å; F216-A230 HydrophobicContact CD1-CB 4.04Å; F216-A230 HydrophobicContact CE1-CB 4.02Å |
| 217 | L | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 150.1 | 174.3 | -64.3 | 169.9 | 0 | 0 | 0 | 110.5 | L208 A209 I211 I225 R226 A227 F239 L249 F258 | L208-L217 VanDerWaalsContact CA-O 3.25Å; L208-L217 WeakPolarHBondContact CA-O 3.3Å; A209-L217 HydrophobicContact CB-CB 4.48Å; A209-L217 PolarHBondContact N-O 2.77Å; A209-L217 PolarHBondContact O-N 3.17Å; I211-L217 HydrophobicContact CD1-CD2 3.84Å; I211-L217 HydrophobicContact CD1-CG 3.81Å; I211-L217 HydrophobicContact CG1-CD1 4.3Å; I211-L217 HydrophobicContact CG1-CD2 4.42Å; I211-L217 HydrophobicContact CG1-CG 3.84Å; L217-I225 HydrophobicContact CD2-CG2 4.26Å; L217-R226 CarbonylContact C-O 3.57Å; L217-R226 VanDerWaalsContact CA-O 3.26Å; L217-R226 WeakPolarHBondContact CA-O 3.41Å; L217-A227 HydrophobicContact CD2-CB 3.79Å; L217-F239 HydrophobicContact CD2-CD2 4.37Å; L217-F239 HydrophobicContact CD2-CE2 3.76Å; L217-F239 HydrophobicContact CD2-CZ 4.47Å; L217-L249 HydrophobicContact CB-CD1 3.92Å; L217-F258 HydrophobicContact CD1-CB 4.11Å; L217-F258 HydrophobicContact CD1-CD1 3.81Å; L217-F258 HydrophobicContact CD1-CD2 3.53Å; L217-F258 HydrophobicContact CD1-CE1 4.02Å; L217-F258 HydrophobicContact CD1-CE2 3.77Å; L217-F258 HydrophobicContact CD1-CG 3.54Å; L217-F258 HydrophobicContact CD1-CZ 4Å |
| 218 | S | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 149 | 166.4 | 63.9 | 0 | 0 | 0 | 0 | 111.5 | I175 H201 A207 I225 R226 W228 | I175-S218 VanDerWaalsContact CD1-CB 3.43Å; I175-S218 WeakPolarHBondContact CD1-OG 3.35Å; H201-S218 PolarHBondContact CD2-OG 3.32Å; H201-S218 PolarHBondContact NE2-OG 3.2Å; A207-S218 WeakPolarHBondContact O-CA 3.27Å; S218-I225 CarbonylContact O-C 3.58Å; S218-I225 WeakPolarHBondContact O-CA 3.4Å; S218-I225 WeakPolarHBondContact O-CG2 3.34Å; S218-R226 PolarHBondContact N-O 2.91Å; S218-R226 PolarHBondContact O-N 2.78Å; S218-W228 PolarHBondContact OG-NE1 3.04Å |
| 219 | A | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 146.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | R206 A207 I225 V246 L249 | R206-A219 PolarHBondContact N-O 2.94Å; A207-A219 HydrophobicContact CB-CB 4.23Å; A207-A219 PolarHBondContact N-O 3.01Å; A207-A219 PolarHBondContact O-N 2.89Å; A219-I225 HydrophobicContact CB-CG1 4.21Å; A219-V246 HydrophobicContact CB-CB 3.86Å; A219-V246 HydrophobicContact CB-CG1 3.55Å; A219-L249 HydrophobicContact CB-CD1 3.51Å; A219-L249 HydrophobicContact CB-CD2 4.34Å; A219-L249 HydrophobicContact CB-CG 3.68Å |
| 220 | S | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 163.3 | -173.9 | 171.3 | 0 | 0 | 0 | 0 | 113.5 | H201 D203 C204 D222 A223 S224 V246 | H201-S220 VanDerWaalsContact CE1-CB 3.45Å; H201-S220 WeakPolarHBondContact CE1-CB 3.44Å; H201-S220 WeakPolarHBondContact ND1-CB 3.47Å; D203-S220 VanDerWaalsContact C-OG 3.27Å; D203-S220 PolarHBondContact O-OG 2.9Å; C204-S220 CarbonylContact O-C 3.58Å; C204-S220 WeakPolarHBondContact O-CA 3.43Å; C204-S220 WeakPolarHBondContact O-CB 3.3Å; C204-S220 PolarHBondContact O-OG 3.03Å; S220-D222 VanDerWaalsContact CB-OD1 3.27Å; S220-D222 WeakPolarHBondContact CB-OD1 3.36Å; S220-D222 PolarHBondContact O-N 2.79Å; S220-D222 VanDerWaalsContact OG-CG 3.29Å; S220-D222 PolarHBondContact OG-N 3.41Å; S220-D222 PolarHBondContact OG-OD1 2.79Å; S220-A223 PolarHBondContact O-N 3.13Å; S220-S224 PolarHBondContact N-O 3.39Å; S220-V246 PolarHBondContact O-N 3.43Å; S220-V246 VanDerWaalsContact O-N 3.15Å |
| 221 | N | 96 | Very high | 94.3 | Very high | 22 Ų | 22 | 21.5 Ų | 21.5 | 12% | 0.118 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -11.4 | 165.5 | -76.8 | 9.6 | 0 | 0 | 0 | 112.7 | D203 C204 R206 A223 F245 | D203-N221 HydrophobicContact CB-CB 3.75Å; C204-N221 HydrophobicContact CB-CB 4.31Å; C204-N221 PolarHBondContact O-N 2.77Å; R206-N221 VanDerWaalsContact CG-OD1 3.26Å; R206-N221 WeakPolarHBondContact CG-OD1 3.33Å; R206-N221 PolarHBondContact NH1-OD1 2.82Å; R206-N221 VanDerWaalsContact NH1-OD1 3.14Å; N221-A223 PolarHBondContact O-N 3.32Å; N221-A223 VanDerWaalsContact O-N 3.15Å; N221-F245 HydrophobicContact CB-CB 4.4Å; N221-F245 HydrophobicContact CB-CD1 3.62Å; N221-F245 HydrophobicContact CB-CD2 4.35Å; N221-F245 HydrophobicContact CB-CE1 3.83Å; N221-F245 HydrophobicContact CB-CG 3.87Å; N221-F245 HydrophobicContact CB-CZ 4.3Å; N221-F245 WeakPolarHBondContact O-CD1 3.41Å; N221-F245 VanDerWaalsContact O-CE1 3.3Å; N221-F245 WeakPolarHBondContact O-CE1 3Å |
| 222 | D | 89.6 | Confident | 94.3 | Very high | 42 Ų | 42 | 23.3 Ų | 23.3 | 23% | 0.225 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 11.3 | 171.7 | 68.7 | 16.2 | 0 | 0 | 0 | 114.1 | H201 K202 D203 S220 S224 | H201-D222 WeakPolarHBondContact CA-OD2 3.21Å; H201-D222 IonicContact CE1-OD1 3.88Å; H201-D222 IonicContact CE1-OD2 3.27Å; H201-D222 IonicContact CG-OD2 3.62Å; H201-D222 IonicContact ND1-OD1 3.18Å; H201-D222 PolarHBondContact ND1-OD1 3Å; H201-D222 IonicContact ND1-OD2 2.87Å; H201-D222 PolarHBondContact ND1-OD2 3Å; K202-D222 HydrophobicContact CB-CB 4.13Å; K202-D222 PolarHBondContact N-OD2 2.61Å; D203-D222 HydrophobicContact CB-CB 4.12Å; S220-D222 VanDerWaalsContact CB-OD1 3.27Å; S220-D222 WeakPolarHBondContact CB-OD1 3.36Å; S220-D222 PolarHBondContact O-N 2.79Å; S220-D222 VanDerWaalsContact OG-CG 3.29Å; S220-D222 PolarHBondContact OG-N 3.41Å; S220-D222 PolarHBondContact OG-OD1 2.79Å; D222-S224 VanDerWaalsContact CG-OG 3.28Å; D222-S224 PolarHBondContact O-N 3.05Å; D222-S224 VanDerWaalsContact O-N 3.16Å; D222-S224 WeakPolarHBondContact OD1-CA 3.34Å; D222-S224 VanDerWaalsContact OD1-CB 3.26Å; D222-S224 WeakPolarHBondContact OD1-CB 3.44Å; D222-S224 PolarHBondContact OD1-N 3.29Å; D222-S224 PolarHBondContact OD1-OG 2.96Å; D222-S224 PolarHBondContact OD2-OG 3.17Å |
| 223 | A | 86 | Confident | 94.4 | Very high | 23 Ų | 23 | 21.8 Ų | 21.8 | 19% | 0.19 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 62.4 | 10.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S220 N221 N244 | S220-A223 PolarHBondContact O-N 3.13Å; N221-A223 PolarHBondContact O-N 3.32Å; N221-A223 VanDerWaalsContact O-N 3.15Å; A223-N244 WeakPolarHBondContact CB-O 3.37Å |
| 224 | S | 89.8 | Confident | 94.8 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 3% | 0.028 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 152.7 | 177.9 | 78.2 | 0 | 0 | 0 | 0 | 113 | H201 S220 D222 | H201-S224 PolarHBondContact CE1-OG 3.47Å; H201-S224 VanDerWaalsContact CE1-OG 3.29Å; H201-S224 PolarHBondContact ND1-OG 2.81Å; S220-S224 PolarHBondContact N-O 3.39Å; D222-S224 VanDerWaalsContact CG-OG 3.28Å; D222-S224 PolarHBondContact O-N 3.05Å; D222-S224 VanDerWaalsContact O-N 3.16Å; D222-S224 WeakPolarHBondContact OD1-CA 3.34Å; D222-S224 VanDerWaalsContact OD1-CB 3.26Å; D222-S224 WeakPolarHBondContact OD1-CB 3.44Å; D222-S224 PolarHBondContact OD1-N 3.29Å; D222-S224 PolarHBondContact OD1-OG 2.96Å; D222-S224 PolarHBondContact OD2-OG 3.17Å |
| 225 | I | 97.7 | Very high | 95 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 131.1 | 165.5 | -60.5 | 160.4 | 0 | 0 | 0 | 107.4 | L217 S218 A219 E238 F239 V246 L249 F258 S260 W270 | L217-I225 HydrophobicContact CD2-CG2 4.26Å; S218-I225 CarbonylContact O-C 3.58Å; S218-I225 WeakPolarHBondContact O-CA 3.4Å; S218-I225 WeakPolarHBondContact O-CG2 3.34Å; A219-I225 HydrophobicContact CB-CG1 4.21Å; I225-E238 WeakPolarHBondContact O-CA 3.36Å; I225-F239 HydrophobicContact CB-CB 4.09Å; I225-F239 HydrophobicContact CB-CD2 4.43Å; I225-F239 HydrophobicContact CG2-CB 4.46Å; I225-F239 HydrophobicContact CG2-CD2 4.01Å; I225-F239 PolarHBondContact N-O 2.99Å; I225-F239 PolarHBondContact O-N 3.26Å; I225-V246 HydrophobicContact CD1-CG1 4.24Å; I225-V246 HydrophobicContact CG1-CG1 4.16Å; I225-V246 HydrophobicContact CG1-CG2 4.49Å; I225-L249 HydrophobicContact CD1-CD2 4.04Å; I225-L249 HydrophobicContact CG1-CD2 4.28Å; I225-L249 HydrophobicContact CG2-CD1 4.45Å; I225-L249 HydrophobicContact CG2-CD2 4.13Å; I225-F258 HydrophobicContact CD1-CE2 4.35Å; I225-F258 HydrophobicContact CG2-CE2 4.24Å; I225-F258 HydrophobicContact CG2-CZ 4.44Å; I225-S260 VanDerWaalsContact CD1-CB 3.49Å; I225-S260 WeakPolarHBondContact CD1-OG 3.23Å; I225-W270 HydrophobicContact CD1-CZ2 4.14Å |
| 226 | R | 97.7 | Very high | 95.1 | Very high | 26 Ų | 26 | 22.4 Ų | 22.4 | 10% | 0.098 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 143 | -179.3 | -66.8 | 179.8 | 179 | -97.5 | -24.4 | 110.5 | E200 L217 S218 W228 E238 | E200-R226 IonicContact OE2-CZ 3.17Å; E200-R226 IonicContact OE2-NH1 3.28Å; E200-R226 PolarHBondContact OE2-NH1 3.13Å; L217-R226 CarbonylContact C-O 3.57Å; L217-R226 VanDerWaalsContact CA-O 3.26Å; L217-R226 WeakPolarHBondContact CA-O 3.41Å; S218-R226 PolarHBondContact N-O 2.91Å; S218-R226 PolarHBondContact O-N 2.78Å; R226-W228 HydrophobicContact CB-CZ2 3.99Å; R226-W228 HydrophobicContact CG-CZ2 4.5Å; R226-E238 HydrophobicContact CG-CG 4.4Å; R226-E238 IonicContact CZ-OE1 3.69Å; R226-E238 IonicContact NH1-OE1 3.99Å; R226-E238 PolarHBondContact NH1-OE1 3.04Å; R226-E238 IonicContact NH2-OE1 3.51Å; R226-E238 PolarHBondContact NH2-OE1 3.21Å |
| 227 | A | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 140.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | I211 F216 L217 C235 I236 G237 F239 W278 | I211-A227 HydrophobicContact CD1-CB 4.38Å; F216-A227 CarbonylContact O-C 3.59Å; F216-A227 WeakPolarHBondContact O-CA 3.46Å; L217-A227 HydrophobicContact CD2-CB 3.79Å; A227-C235 CarbonylContact O-C 3.52Å; A227-C235 WeakPolarHBondContact O-CA 3.39Å; A227-I236 HydrophobicContact CB-CG1 3.94Å; A227-I236 WeakPolarHBondContact O-CG1 3.41Å; A227-I236 PolarHBondContact O-N 3.18Å; A227-G237 PolarHBondContact N-O 3.46Å; A227-F239 HydrophobicContact CB-CE2 4.22Å; A227-W278 HydrophobicContact CB-CE3 4.04Å; A227-W278 HydrophobicContact CB-CH2 3.95Å; A227-W278 HydrophobicContact CB-CZ3 3.34Å |
| 228 | W | 97.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 0% | 0.004 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 143.4 | -173.1 | -56.8 | 92.2 | 0 | 0 | 0 | 111.5 | I175 L198 E200 R215 F216 S218 R226 K234 C235 | I175-W228 HydrophobicContact CD1-CZ2 4.03Å; L198-W228 HydrophobicContact CB-CE3 4.48Å; L198-W228 HydrophobicContact CB-CH2 3.94Å; L198-W228 HydrophobicContact CB-CZ2 4.5Å; L198-W228 HydrophobicContact CB-CZ3 3.94Å; L198-W228 HydrophobicContact CD1-CD2 3.74Å; L198-W228 HydrophobicContact CD1-CE3 3.6Å; L198-W228 HydrophobicContact CD1-CG 4.22Å; L198-W228 HydrophobicContact CD1-CH2 4.36Å; L198-W228 HydrophobicContact CD1-CZ3 3.93Å; L198-W228 HydrophobicContact CG-CE3 4.45Å; L198-W228 HydrophobicContact CG-CZ3 4.36Å; E200-W228 HydrophobicContact CB-CH2 3.78Å; E200-W228 HydrophobicContact CG-CH2 3.69Å; E200-W228 HydrophobicContact CG-CZ3 4.12Å; R215-W228 VanDerWaalsContact CA-O 3.26Å; R215-W228 WeakPolarHBondContact CA-O 3.21Å; F216-W228 HydrophobicContact CD1-CB 3.87Å; F216-W228 HydrophobicContact CD2-CB 4.3Å; F216-W228 AromaticContact CD2-CD1 3.85Å; F216-W228 HydrophobicContact CD2-CG 4.38Å; F216-W228 HydrophobicContact CE1-CB 3.39Å; F216-W228 HydrophobicContact CE1-CG 4.1Å; F216-W228 HydrophobicContact CE2-CB 3.87Å; F216-W228 AromaticContact CE2-CD1 3.35Å; F216-W228 AromaticContact CE2-CG 3.71Å; F216-W228 HydrophobicContact CE2-CG 3.71Å; F216-W228 HydrophobicContact CG-CB 4.31Å; F216-W228 HydrophobicContact CZ-CB 3.39Å; F216-W228 AromaticContact CZ-CD1 3.72Å; F216-W228 HydrophobicContact CZ-CD2 4.43Å; F216-W228 AromaticContact CZ-CG 3.56Å; F216-W228 HydrophobicContact CZ-CG 3.56Å; F216-W228 PolarHBondContact N-O 3.22Å; F216-W228 VanDerWaalsContact N-O 3.15Å; F216-W228 PolarHBondContact O-N 3.05Å; S218-W228 PolarHBondContact OG-NE1 3.04Å; R226-W228 HydrophobicContact CB-CZ2 3.99Å; R226-W228 HydrophobicContact CG-CZ2 4.5Å; W228-K234 WeakPolarHBondContact CA-O 3.44Å; W228-C235 HydrophobicContact CE3-CB 3.94Å; W228-C235 HydrophobicContact CH2-CB 4.28Å; W228-C235 HydrophobicContact CZ3-CB 3.8Å |
| 229 | D | 95 | Very high | 94.5 | Very high | 40 Ų | 40 | 23.3 Ų | 23.3 | 21% | 0.214 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 114.5 | 162 | 177.9 | -58.9 | 0 | 0 | 0 | 108.2 | T231 T232 G233 K234 I236 | D229-T231 VanDerWaalsContact C-N 3.28Å; D229-T231 PolarHBondContact O-N 3.03Å; D229-T231 WeakPolarHBondContact OD1-CA 3.11Å; D229-T231 WeakPolarHBondContact OD1-CB 3.43Å; D229-T231 PolarHBondContact OD1-N 3.24Å; D229-T232 WeakPolarHBondContact CB-OG1 3.37Å; D229-T232 VanDerWaalsContact CG-OG1 3.27Å; D229-T232 PolarHBondContact OD1-N 2.67Å; D229-T232 PolarHBondContact OD1-OG1 3.45Å; D229-G233 WeakPolarHBondContact O-CA 3.36Å; D229-G233 PolarHBondContact O-N 3.44Å; D229-K234 PolarHBondContact N-O 3.15Å; D229-I236 HydrophobicContact CB-CD1 4.44Å; D229-I236 HydrophobicContact CB-CG2 3.97Å |
| 230 | A | 94.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -22.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | M152 I157 I177 S214 F216 | M152-A230 HydrophobicContact CE-CB 4.33Å; M152-A230 HydrophobicContact SD-CB 4.34Å; I157-A230 HydrophobicContact CD1-CB 3.66Å; I157-A230 HydrophobicContact CG1-CB 4.2Å; I177-A230 HydrophobicContact CD1-CB 4.39Å; S214-A230 VanDerWaalsContact O-CB 3.27Å; S214-A230 WeakPolarHBondContact O-CB 3.18Å; S214-A230 PolarHBondContact O-N 2.97Å; F216-A230 HydrophobicContact CD1-CB 4.04Å; F216-A230 HydrophobicContact CE1-CB 4.02Å |
| 231 | T | 92.6 | Very high | 92.7 | Very high | 65 Ų | 65 | 29.4 Ų | 29.4 | 40% | 0.399 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -38.9 | -180 | -52.7 | 0 | 0 | 0 | 0 | 111.3 | N156 D229 | N156-T231 PolarHBondContact O-OG1 3.38Å; N156-T231 VanDerWaalsContact O-OG1 3.05Å; D229-T231 VanDerWaalsContact C-N 3.28Å; D229-T231 PolarHBondContact O-N 3.03Å; D229-T231 WeakPolarHBondContact OD1-CA 3.11Å; D229-T231 WeakPolarHBondContact OD1-CB 3.43Å; D229-T231 PolarHBondContact OD1-N 3.24Å |
| 232 | T | 93.2 | Very high | 92 | Very high | 68 Ų | 68 | 29 Ų | 29 | 42% | 0.417 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -20.9 | -178.4 | 63 | 0 | 0 | 0 | 0 | 113.4 | N196 D229 K234 | N196-T232 PolarHBondContact ND2-O 2.67Å; D229-T232 WeakPolarHBondContact CB-OG1 3.37Å; D229-T232 VanDerWaalsContact CG-OG1 3.27Å; D229-T232 PolarHBondContact OD1-N 2.67Å; D229-T232 PolarHBondContact OD1-OG1 3.45Å; T232-K234 VanDerWaalsContact C-N 3.27Å; T232-K234 PolarHBondContact OG1-N 3.29Å |
| 233 | G | 93.9 | Very high | 91.4 | Very high | 11 Ų | 11 | 31.3 Ų | 31.3 | 11% | 0.113 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 25.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N196 L198 D229 | N196-G233 WeakPolarHBondContact ND2-CA 3.3Å; L198-G233 VanDerWaalsContact CD2-O 3.3Å; L198-G233 WeakPolarHBondContact CD2-O 3.45Å; D229-G233 WeakPolarHBondContact O-CA 3.36Å; D229-G233 PolarHBondContact O-N 3.44Å |
| 234 | K | 95.6 | Very high | 91.4 | Very high | 135 Ų | 135 | 33 Ų | 33 | 59% | 0.587 | 18% | 0.178 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 143.7 | 178.1 | -67 | -176.8 | 177.8 | -178.5 | 0 | 111.2 | W228 D229 T232 | W228-K234 WeakPolarHBondContact CA-O 3.44Å; D229-K234 PolarHBondContact N-O 3.15Å; T232-K234 VanDerWaalsContact C-N 3.27Å; T232-K234 PolarHBondContact OG1-N 3.29Å |
| 235 | C | 96.5 | Very high | 91.4 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 131.9 | 166.1 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | E200 A227 W228 | E200-C235 WeakPolarHBondContact OE2-CB 3.49Å; A227-C235 CarbonylContact O-C 3.52Å; A227-C235 WeakPolarHBondContact O-CA 3.39Å; W228-C235 HydrophobicContact CE3-CB 3.94Å; W228-C235 HydrophobicContact CH2-CB 4.28Å; W228-C235 HydrophobicContact CZ3-CB 3.8Å |
| 236 | I | 96.2 | Very high | 91.3 | Very high | 23 Ų | 23 | 36 Ų | 36 | 12% | 0.118 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 4.8 | -173.9 | 58.5 | 169 | 0 | 0 | 0 | 113.2 | R215 A227 D229 W278 A279 | R215-I236 HydrophobicContact CG-CD1 3.88Å; A227-I236 HydrophobicContact CB-CG1 3.94Å; A227-I236 WeakPolarHBondContact O-CG1 3.41Å; A227-I236 PolarHBondContact O-N 3.18Å; D229-I236 HydrophobicContact CB-CD1 4.44Å; D229-I236 HydrophobicContact CB-CG2 3.97Å; I236-W278 HydrophobicContact CB-CB 4.4Å; I236-W278 HydrophobicContact CD1-CB 4.44Å; I236-W278 HydrophobicContact CD1-CD2 4.23Å; I236-W278 HydrophobicContact CD1-CE3 4.22Å; I236-W278 HydrophobicContact CD1-CG 4.36Å; I236-W278 HydrophobicContact CG1-CE3 4.15Å; I236-A279 CarbonylContact C-O 3.53Å; I236-A279 VanDerWaalsContact C-O 3.24Å; I236-A279 CarbonylContact O-C 3.49Å; I236-A279 PolarHBondContact O-N 2.92Å |
| 237 | G | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.6 | 153.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A227 K282 | A227-G237 PolarHBondContact N-O 3.46Å; G237-K282 WeakPolarHBondContact CA-O 3.49Å |
| 238 | E | 93.1 | Very high | 91.3 | Very high | 17 Ų | 17 | 36 Ų | 36 | 8% | 0.079 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 143 | -178.8 | -55.9 | -173.1 | 159.4 | 0 | 0 | 110.3 | I225 R226 Y240 K282 H283 F284 | I225-E238 WeakPolarHBondContact O-CA 3.36Å; R226-E238 HydrophobicContact CG-CG 4.4Å; R226-E238 IonicContact CZ-OE1 3.69Å; R226-E238 IonicContact NH1-OE1 3.99Å; R226-E238 PolarHBondContact NH1-OE1 3.04Å; R226-E238 IonicContact NH2-OE1 3.51Å; R226-E238 PolarHBondContact NH2-OE1 3.21Å; E238-Y240 HydrophobicContact CB-CD2 4.37Å; E238-Y240 HydrophobicContact CB-CE2 3.71Å; E238-Y240 WeakPolarHBondContact OE2-CE2 3.28Å; E238-Y240 VanDerWaalsContact OE2-CZ 3.26Å; E238-Y240 PolarHBondContact OE2-OH 3.25Å; E238-K282 PolarHBondContact N-O 2.96Å; E238-H283 WeakPolarHBondContact O-CA 3.46Å; E238-H283 IonicContact OE2-CD2 4Å; E238-H283 IonicContact OE2-NE2 3.44Å; E238-F284 PolarHBondContact O-N 3.27Å |
| 239 | F | 92.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 115.5 | 178.3 | -51.5 | -104.8 | 0 | 0 | 0 | 108.7 | L217 I225 A227 F258 W270 P273 W278 F284 | L217-F239 HydrophobicContact CD2-CD2 4.37Å; L217-F239 HydrophobicContact CD2-CE2 3.76Å; L217-F239 HydrophobicContact CD2-CZ 4.47Å; I225-F239 HydrophobicContact CB-CB 4.09Å; I225-F239 HydrophobicContact CB-CD2 4.43Å; I225-F239 HydrophobicContact CG2-CB 4.46Å; I225-F239 HydrophobicContact CG2-CD2 4.01Å; I225-F239 PolarHBondContact N-O 2.99Å; I225-F239 PolarHBondContact O-N 3.26Å; A227-F239 HydrophobicContact CB-CE2 4.22Å; F239-F258 HydrophobicContact CB-CZ 4.49Å; F239-F258 AromaticContact CD1-CE1 3.84Å; F239-F258 HydrophobicContact CD1-CE1 3.84Å; F239-F258 AromaticContact CD1-CZ 3.59Å; F239-F258 HydrophobicContact CD1-CZ 3.59Å; F239-F258 AromaticContact CD2-CZ 3.98Å; F239-F258 HydrophobicContact CD2-CZ 3.98Å; F239-F258 AromaticContact CE1-CE1 3.46Å; F239-F258 HydrophobicContact CE1-CE1 3.46Å; F239-F258 VanDerWaalsContact CE1-CE1 3.46Å; F239-F258 AromaticContact CE1-CZ 3.7Å; F239-F258 HydrophobicContact CE1-CZ 3.7Å; F239-F258 HydrophobicContact CE2-CE1 4.19Å; F239-F258 HydrophobicContact CE2-CZ 4.08Å; F239-F258 HydrophobicContact CG-CE1 4.39Å; F239-F258 AromaticContact CG-CZ 3.77Å; F239-F258 HydrophobicContact CG-CZ 3.77Å; F239-F258 AromaticContact CZ-CE1 3.66Å; F239-F258 HydrophobicContact CZ-CE1 3.66Å; F239-F258 AromaticContact CZ-CZ 3.95Å; F239-F258 HydrophobicContact CZ-CZ 3.95Å; F239-W270 HydrophobicContact CB-CD2 4.37Å; F239-W270 HydrophobicContact CB-CE3 3.97Å; F239-W270 HydrophobicContact CB-CH2 4.03Å; F239-W270 HydrophobicContact CB-CZ2 4.42Å; F239-W270 HydrophobicContact CB-CZ3 3.78Å; F239-W270 HydrophobicContact CD1-CD2 4.16Å; F239-W270 AromaticContact CD1-CE3 3.71Å; F239-W270 HydrophobicContact CD1-CE3 3.71Å; F239-W270 HydrophobicContact CD1-CZ3 4.28Å; F239-W270 HydrophobicContact CG-CE3 4.3Å; F239-P273 HydrophobicContact CZ-CG 4.42Å; F239-W278 HydrophobicContact CE2-CH2 4.44Å; F239-W278 HydrophobicContact CE2-CZ3 4.18Å; F239-W278 AromaticContact CZ-CH2 3.98Å; F239-W278 HydrophobicContact CZ-CH2 3.98Å; F239-W278 AromaticContact CZ-CZ3 3.95Å; F239-W278 HydrophobicContact CZ-CZ3 3.95Å; F239-F284 HydrophobicContact CD1-CB 3.42Å; F239-F284 VanDerWaalsContact CD1-CB 3.42Å; F239-F284 HydrophobicContact CD1-CD2 4.28Å; F239-F284 HydrophobicContact CD1-CG 4.21Å; F239-F284 HydrophobicContact CE1-CB 3.39Å; F239-F284 AromaticContact CE1-CD2 3.74Å; F239-F284 HydrophobicContact CE1-CD2 3.74Å; F239-F284 AromaticContact CE1-CG 3.73Å; F239-F284 HydrophobicContact CE1-CG 3.73Å; F239-F284 HydrophobicContact CE2-CD2 4.24Å; F239-F284 HydrophobicContact CG-CB 4.27Å; F239-F284 HydrophobicContact CZ-CB 4.25Å; F239-F284 AromaticContact CZ-CD2 3.71Å; F239-F284 HydrophobicContact CZ-CD2 3.71Å; F239-F284 HydrophobicContact CZ-CE2 4.41Å; F239-F284 HydrophobicContact CZ-CG 4.17Å |
| 240 | Y | 84.2 | Confident | 91.4 | Very high | 101 Ų | 101 | 35.3 Ų | 35.3 | 40% | 0.396 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 141.1 | 179.1 | -66.4 | -75.4 | 0 | 0 | 0 | 110.2 | E238 W270 H283 | E238-Y240 HydrophobicContact CB-CD2 4.37Å; E238-Y240 HydrophobicContact CB-CE2 3.71Å; E238-Y240 WeakPolarHBondContact OE2-CE2 3.28Å; E238-Y240 VanDerWaalsContact OE2-CZ 3.26Å; E238-Y240 PolarHBondContact OE2-OH 3.25Å; Y240-W270 WeakPolarHBondContact O-CH2 3.39Å; Y240-H283 AromaticContact CE2-CD2 3.74Å; Y240-H283 AromaticContact CE2-CE1 3.85Å; Y240-H283 AromaticContact CE2-NE2 3.57Å |
| 241 | G | 73.7 | Confident | 91.4 | Very high | 27 Ų | 27 | 36.8 Ų | 36.8 | 28% | 0.278 | 20% | 0.2 | S | C | . | . | trans | 168.7 | -38 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T243 R268 | G241-T243 PolarHBondContact O-N 2.99Å; G241-R268 VanDerWaalsContact C-NE 3.31Å; G241-R268 PolarHBondContact O-NE 3.27Å; G241-R268 PolarHBondContact O-NH2 2.89Å | ||
| 242 | H | 80.7 | Confident | 91 | Very high | 13 Ų | 13 | 34.2 Ų | 34.2 | 6% | 0.06 | 19% | 0.185 | C | C | . | . | trans | -60.5 | 138.9 | 173.5 | -79.5 | -69.9 | 0 | 0 | 0 | 110.6 | V246 S260 D264 S266 | H242-V246 HydrophobicContact CB-CG2 3.64Å; H242-S260 PolarHBondContact CD2-OG 2.82Å; H242-S260 WeakPolarHBondContact NE2-CB 3.4Å; H242-S260 PolarHBondContact NE2-OG 3.47Å; H242-D264 WeakPolarHBondContact CA-OD2 3.29Å; H242-D264 WeakPolarHBondContact CB-OD2 3.23Å; H242-D264 IonicContact CE1-OD1 3.45Å; H242-D264 IonicContact CE1-OD2 3.9Å; H242-D264 IonicContact CG-OD2 3.52Å; H242-D264 VanDerWaalsContact ND1-CG 3.25Å; H242-D264 IonicContact ND1-OD1 3.56Å; H242-D264 PolarHBondContact ND1-OD1 2.97Å; H242-D264 IonicContact ND1-OD2 3.64Å; H242-D264 PolarHBondContact ND1-OD2 3.27Å; H242-S266 PolarHBondContact CE1-OG 3.28Å; H242-S266 VanDerWaalsContact CE1-OG 3.29Å; H242-S266 PolarHBondContact ND1-OG 3.46Å | ||
| 243 | T | 76.9 | Confident | 90.3 | Very high | 90 Ų | 90 | 36.6 Ų | 36.6 | 55% | 0.552 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -100.5 | 0.4 | -179.1 | 59 | 0 | 0 | 0 | 0 | 112.7 | G241 D264 | G241-T243 PolarHBondContact O-N 2.99Å; T243-D264 PolarHBondContact N-OD2 2.89Å; T243-D264 VanDerWaalsContact N-OD2 3.1Å; T243-D264 WeakPolarHBondContact OG1-CB 3.45Å |
| 244 | N | 84.7 | Confident | 89.6 | Confident | 58 Ų | 58 | 41.6 Ų | 41.6 | 31% | 0.31 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -154.7 | -172.4 | -179.6 | -153.9 | -19.2 | 0 | 0 | 0 | 109.1 | A223 V246 E263 D264 | A223-N244 WeakPolarHBondContact CB-O 3.37Å; N244-V246 PolarHBondContact O-N 3.15Å; N244-E263 HydrophobicContact CB-CB 3.97Å; N244-E263 HydrophobicContact CB-CG 4.36Å; N244-E263 VanDerWaalsContact ND2-CG 3.34Å; N244-E263 WeakPolarHBondContact ND2-CG 3.39Å; N244-D264 HydrophobicContact CB-CB 4.08Å |
| 245 | F | 90.8 | Very high | 89 | Confident | 70 Ų | 70 | 37.6 Ų | 37.6 | 31% | 0.307 | 21% | 0.208 | S | C | . | . | trans | -54.4 | 133.6 | -173.1 | -57.4 | -14.2 | 0 | 0 | 0 | 113.1 | N221 Y247 G262 E263 | N221-F245 HydrophobicContact CB-CB 4.4Å; N221-F245 HydrophobicContact CB-CD1 3.62Å; N221-F245 HydrophobicContact CB-CD2 4.35Å; N221-F245 HydrophobicContact CB-CE1 3.83Å; N221-F245 HydrophobicContact CB-CG 3.87Å; N221-F245 HydrophobicContact CB-CZ 4.3Å; N221-F245 WeakPolarHBondContact O-CD1 3.41Å; N221-F245 VanDerWaalsContact O-CE1 3.3Å; N221-F245 WeakPolarHBondContact O-CE1 3Å; F245-Y247 HydrophobicContact CB-CD1 3.94Å; F245-Y247 HydrophobicContact CB-CE1 3.26Å; F245-Y247 AromaticContact CD2-CE1 3.91Å; F245-Y247 HydrophobicContact CD2-CE1 3.91Å; F245-Y247 HydrophobicContact CG-CE1 4.09Å; F245-G262 CarbonylContact O-C 3.56Å; F245-G262 WeakPolarHBondContact O-CA 3.19Å; F245-E263 HydrophobicContact CB-CB 4.13Å; F245-E263 PolarHBondContact O-N 3.46Å | ||
| 246 | V | 95.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 118.7 | 176.1 | -169.7 | 0 | 0 | 0 | 0 | 108.8 | R206 A219 S220 I225 H242 N244 | R206-V246 VanDerWaalsContact CB-O 3.23Å; R206-V246 WeakPolarHBondContact CB-O 3.45Å; A219-V246 HydrophobicContact CB-CB 3.86Å; A219-V246 HydrophobicContact CB-CG1 3.55Å; S220-V246 PolarHBondContact O-N 3.43Å; S220-V246 VanDerWaalsContact O-N 3.15Å; I225-V246 HydrophobicContact CD1-CG1 4.24Å; I225-V246 HydrophobicContact CG1-CG1 4.16Å; I225-V246 HydrophobicContact CG1-CG2 4.49Å; H242-V246 HydrophobicContact CB-CG2 3.64Å; N244-V246 PolarHBondContact O-N 3.15Å |
| 247 | Y | 97.9 | Very high | 88.5 | Confident | 21 Ų | 21 | 41 Ų | 41 | 8% | 0.082 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -28.9 | -170.7 | -63.1 | -26.9 | 0 | 0 | 0 | 114.4 | F245 C261 E263 A297 W298 | F245-Y247 HydrophobicContact CB-CD1 3.94Å; F245-Y247 HydrophobicContact CB-CE1 3.26Å; F245-Y247 AromaticContact CD2-CE1 3.91Å; F245-Y247 HydrophobicContact CD2-CE1 3.91Å; F245-Y247 HydrophobicContact CG-CE1 4.09Å; Y247-C261 PolarHBondContact N-O 2.93Å; Y247-E263 HydrophobicContact CE2-CB 3.82Å; Y247-E263 WeakPolarHBondContact CE2-OE2 3.24Å; Y247-E263 PolarHBondContact OH-OE2 2.95Å; Y247-A297 WeakPolarHBondContact CD2-O 3.34Å; Y247-W298 WeakPolarHBondContact CB-O 3.26Å; Y247-W298 HydrophobicContact CD2-CD2 4.31Å; Y247-W298 AromaticContact CD2-CE3 3.44Å; Y247-W298 HydrophobicContact CD2-CE3 3.44Å; Y247-W298 VanDerWaalsContact CD2-CE3 3.44Å; Y247-W298 AromaticContact CD2-CZ3 3.68Å; Y247-W298 HydrophobicContact CD2-CZ3 3.68Å; Y247-W298 HydrophobicContact CE1-CZ3 4.31Å; Y247-W298 HydrophobicContact CE2-CD2 4.38Å; Y247-W298 AromaticContact CE2-CE3 3.48Å; Y247-W298 HydrophobicContact CE2-CE3 3.48Å; Y247-W298 VanDerWaalsContact CE2-CE3 3.48Å; Y247-W298 AromaticContact CE2-CH2 3.91Å; Y247-W298 HydrophobicContact CE2-CH2 3.91Å; Y247-W298 AromaticContact CE2-CZ3 3.2Å; Y247-W298 HydrophobicContact CE2-CZ3 3.2Å; Y247-W298 HydrophobicContact CG-CE3 4.15Å; Y247-W298 HydrophobicContact CG-CZ3 4.38Å; Y247-W298 AromaticContact CZ-CZ3 3.54Å |
| 248 | G | 97.5 | Very high | 88.6 | Confident | 5 Ų | 5 | 41 Ų | 41 | 5% | 0.052 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 148.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S260 C261 | G248-S260 VanDerWaalsContact O-CA 3.26Å; G248-S260 WeakPolarHBondContact O-CA 3.49Å; G248-C261 PolarHBondContact N-O 3.34Å; G248-C261 VanDerWaalsContact N-O 3.16Å; G248-C261 PolarHBondContact O-N 3.42Å; G248-C261 VanDerWaalsContact O-N 3.11Å |
| 249 | L | 98.2 | Very high | 88.8 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 140.3 | 171.2 | -76.1 | 172.3 | 0 | 0 | 0 | 109.2 | A207 A209 L217 A219 I225 F258 V259 | A207-L249 HydrophobicContact CB-CB 4Å; A207-L249 HydrophobicContact CB-CD1 4.28Å; A207-L249 HydrophobicContact CB-CG 4.11Å; A209-L249 HydrophobicContact CB-CB 3.83Å; L217-L249 HydrophobicContact CB-CD1 3.92Å; A219-L249 HydrophobicContact CB-CD1 3.51Å; A219-L249 HydrophobicContact CB-CD2 4.34Å; A219-L249 HydrophobicContact CB-CG 3.68Å; I225-L249 HydrophobicContact CD1-CD2 4.04Å; I225-L249 HydrophobicContact CG1-CD2 4.28Å; I225-L249 HydrophobicContact CG2-CD1 4.45Å; I225-L249 HydrophobicContact CG2-CD2 4.13Å; L249-F258 HydrophobicContact CD2-CD2 4.14Å; L249-F258 HydrophobicContact CD2-CE2 4.11Å; L249-V259 WeakPolarHBondContact CA-O 3.41Å |
| 250 | A | 97 | Very high | 89.1 | Confident | 10 Ų | 10 | 40 Ų | 40 | 8% | 0.083 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 136.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F258 V259 V300 M302 | A250-F258 WeakPolarHBondContact O-CA 3.39Å; A250-F258 WeakPolarHBondContact O-CB 3.1Å; A250-V259 HydrophobicContact CB-CG2 3.82Å; A250-V259 PolarHBondContact N-O 3.05Å; A250-V259 PolarHBondContact O-N 3.07Å; A250-V300 HydrophobicContact CB-CG1 4.26Å; A250-M302 HydrophobicContact CB-CG 4.01Å |
| 251 | C | 93.3 | Very high | 89.7 | Confident | 31 Ų | 31 | 35.2 Ų | 35.2 | 21% | 0.209 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 156.1 | 170.9 | -68.4 | 0 | 0 | 0 | 0 | 108.9 | A209 R210 F258 | A209-C251 HydrophobicContact CB-CB 4.39Å; R210-C251 WeakPolarHBondContact O-CB 3.32Å; C251-F258 HydrophobicContact CB-CB 4.49Å; C251-F258 WeakPolarHBondContact SG-CB 3.26Å |
| 252 | S | 85.6 | Confident | 90.6 | Very high | 12 Ų | 12 | 34 Ų | 34 | 8% | 0.084 | 19% | 0.194 | C | C | . | . | trans | -129.4 | 133.6 | 166.4 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | N254 F255 | S252-N254 PolarHBondContact O-N 3.15Å; S252-N254 PolarHBondContact OG-N 3.34Å; S252-F255 PolarHBondContact O-N 3.43Å | ||
| 253 | P | 77.5 | Confident | 91.1 | Very high | 118 Ų | 118 | 34.9 Ų | 34.9 | 77% | 0.766 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -20 | 179 | 28 | -35.3 | 0 | 0 | 0 | 112.7 | ||
| 254 | N | 78.3 | Confident | 91.2 | Very high | 115 Ų | 115 | 31.5 Ų | 31.5 | 62% | 0.615 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -12 | -177.1 | -63.2 | -20.7 | 0 | 0 | 0 | 113.2 | S252 | S252-N254 PolarHBondContact O-N 3.15Å; S252-N254 PolarHBondContact OG-N 3.34Å |
| 255 | F | 84 | Confident | 91.5 | Very high | 51 Ų | 51 | 30 Ų | 30 | 22% | 0.224 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -126.9 | 132.5 | -175 | -62.9 | -83.1 | 0 | 0 | 0 | 110.3 | S252 K257 M302 P304 N305 G306 | S252-F255 PolarHBondContact O-N 3.43Å; F255-K257 PolarHBondContact O-N 3.49Å; F255-M302 HydrophobicContact CB-CE 4.1Å; F255-M302 HydrophobicContact CD2-CE 4.32Å; F255-M302 HydrophobicContact CG-CE 4.39Å; F255-P304 WeakPolarHBondContact CE2-O 3.44Å; F255-N305 VanDerWaalsContact CZ-C 3.44Å; F255-N305 WeakPolarHBondContact CZ-O 3.05Å; F255-G306 VanDerWaalsContact CE2-N 3.27Å |
| 256 | P | 89.1 | Confident | 91.5 | Very high | 89 Ų | 89 | 26.8 Ų | 26.8 | 58% | 0.578 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -76.9 | 39.2 | 177.4 | 34.4 | -37 | 0 | 0 | 0 | 111.9 | L272 | P256-L272 PolarHBondContact O-N 3.14Š|
| 257 | K | 92.9 | Very high | 91.6 | Very high | 14 Ų | 14 | 26.8 Ų | 26.8 | 6% | 0.061 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 149.2 | -176.6 | -68.3 | 170.3 | -173.2 | 166 | 0 | 109.5 | E3 Y5 F255 V269 W270 L271 | E3-K257 IonicContact OE2-NZ 2.75Å; E3-K257 PolarHBondContact OE2-NZ 3.39Å; Y5-K257 HydrophobicContact CE2-CD 4.34Å; F255-K257 PolarHBondContact O-N 3.49Å; K257-V269 HydrophobicContact CB-CG1 4.48Å; K257-V269 HydrophobicContact CD-CG1 4.15Å; K257-V269 HydrophobicContact CG-CG1 4.46Å; K257-W270 WeakPolarHBondContact CA-O 3.25Å; K257-W270 WeakPolarHBondContact CB-O 3.23Å; K257-L271 HydrophobicContact CG-CD2 3.98Å |
| 258 | F | 96.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 163.6 | 162.9 | 76.8 | -89.5 | 0 | 0 | 0 | 109.7 | L217 I225 F239 L249 A250 C251 W270 L272 | L217-F258 HydrophobicContact CD1-CB 4.11Å; L217-F258 HydrophobicContact CD1-CD1 3.81Å; L217-F258 HydrophobicContact CD1-CD2 3.53Å; L217-F258 HydrophobicContact CD1-CE1 4.02Å; L217-F258 HydrophobicContact CD1-CE2 3.77Å; L217-F258 HydrophobicContact CD1-CG 3.54Å; L217-F258 HydrophobicContact CD1-CZ 4Å; I225-F258 HydrophobicContact CD1-CE2 4.35Å; I225-F258 HydrophobicContact CG2-CE2 4.24Å; I225-F258 HydrophobicContact CG2-CZ 4.44Å; F239-F258 HydrophobicContact CB-CZ 4.49Å; F239-F258 AromaticContact CD1-CE1 3.84Å; F239-F258 HydrophobicContact CD1-CE1 3.84Å; F239-F258 AromaticContact CD1-CZ 3.59Å; F239-F258 HydrophobicContact CD1-CZ 3.59Å; F239-F258 AromaticContact CD2-CZ 3.98Å; F239-F258 HydrophobicContact CD2-CZ 3.98Å; F239-F258 AromaticContact CE1-CE1 3.46Å; F239-F258 HydrophobicContact CE1-CE1 3.46Å; F239-F258 VanDerWaalsContact CE1-CE1 3.46Å; F239-F258 AromaticContact CE1-CZ 3.7Å; F239-F258 HydrophobicContact CE1-CZ 3.7Å; F239-F258 HydrophobicContact CE2-CE1 4.19Å; F239-F258 HydrophobicContact CE2-CZ 4.08Å; F239-F258 HydrophobicContact CG-CE1 4.39Å; F239-F258 AromaticContact CG-CZ 3.77Å; F239-F258 HydrophobicContact CG-CZ 3.77Å; F239-F258 AromaticContact CZ-CE1 3.66Å; F239-F258 HydrophobicContact CZ-CE1 3.66Å; F239-F258 AromaticContact CZ-CZ 3.95Å; F239-F258 HydrophobicContact CZ-CZ 3.95Å; L249-F258 HydrophobicContact CD2-CD2 4.14Å; L249-F258 HydrophobicContact CD2-CE2 4.11Å; A250-F258 WeakPolarHBondContact O-CA 3.39Å; A250-F258 WeakPolarHBondContact O-CB 3.1Å; C251-F258 HydrophobicContact CB-CB 4.49Å; C251-F258 WeakPolarHBondContact SG-CB 3.26Å; F258-W270 HydrophobicContact CD1-CB 3.61Å; F258-W270 HydrophobicContact CD1-CG 4.33Å; F258-W270 HydrophobicContact CD2-CB 4.24Å; F258-W270 AromaticContact CD2-CD1 3.61Å; F258-W270 HydrophobicContact CD2-CG 4.15Å; F258-W270 HydrophobicContact CE1-CB 3.21Å; F258-W270 AromaticContact CE1-CG 3.75Å; F258-W270 HydrophobicContact CE1-CG 3.75Å; F258-W270 HydrophobicContact CE2-CB 3.89Å; F258-W270 AromaticContact CE2-CD1 3.15Å; F258-W270 HydrophobicContact CE2-CD2 4.29Å; F258-W270 AromaticContact CE2-CG 3.53Å; F258-W270 HydrophobicContact CE2-CG 3.53Å; F258-W270 AromaticContact CE2-NE1 3.72Å; F258-W270 HydrophobicContact CG-CB 4.11Å; F258-W270 HydrophobicContact CZ-CB 3.37Å; F258-W270 AromaticContact CZ-CD1 3.49Å; F258-W270 VanDerWaalsContact CZ-CD1 3.49Å; F258-W270 AromaticContact CZ-CD2 3.95Å; F258-W270 HydrophobicContact CZ-CD2 3.95Å; F258-W270 AromaticContact CZ-CG 3.31Å; F258-W270 HydrophobicContact CZ-CG 3.31Å; F258-W270 PolarHBondContact N-O 2.79Å; F258-W270 PolarHBondContact O-N 2.94Å; F258-L272 HydrophobicContact CD1-CD2 3.65Å; F258-L272 HydrophobicContact CD1-CG 4.02Å; F258-L272 HydrophobicContact CE1-CD2 4.26Å |
| 259 | V | 97.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 147.7 | -178.8 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | L249 A250 I267 R268 V269 V300 M302 I308 | L249-V259 WeakPolarHBondContact CA-O 3.41Å; A250-V259 HydrophobicContact CB-CG2 3.82Å; A250-V259 PolarHBondContact N-O 3.05Å; A250-V259 PolarHBondContact O-N 3.07Å; V259-I267 HydrophobicContact CB-CG2 4.36Å; V259-R268 CarbonylContact C-O 3.37Å; V259-R268 VanDerWaalsContact CA-O 3.25Å; V259-R268 WeakPolarHBondContact CA-O 3.31Å; V259-V269 HydrophobicContact CG1-CG1 4.42Å; V259-V269 HydrophobicContact CG1-CG2 4.19Å; V259-V300 HydrophobicContact CB-CG2 4.41Å; V259-V300 HydrophobicContact CG2-CG1 4.16Å; V259-V300 HydrophobicContact CG2-CG2 3.56Å; V259-M302 HydrophobicContact CG1-SD 4.47Å; V259-M302 HydrophobicContact CG2-CG 3.81Å; V259-M302 HydrophobicContact CG2-SD 4.29Å; V259-I308 HydrophobicContact CG1-CD1 3.65Å; V259-I308 HydrophobicContact CG1-CG1 3.95Å; V259-I308 HydrophobicContact CG2-CG2 4.36Å |
| 260 | S | 98.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 155.3 | 174.1 | 61.6 | 0 | 0 | 0 | 0 | 111.1 | I225 H242 G248 I267 R268 W270 | I225-S260 VanDerWaalsContact CD1-CB 3.49Å; I225-S260 WeakPolarHBondContact CD1-OG 3.23Å; H242-S260 PolarHBondContact CD2-OG 2.82Å; H242-S260 WeakPolarHBondContact NE2-CB 3.4Å; H242-S260 PolarHBondContact NE2-OG 3.47Å; G248-S260 VanDerWaalsContact O-CA 3.26Å; G248-S260 WeakPolarHBondContact O-CA 3.49Å; S260-I267 CarbonylContact O-C 3.55Å; S260-I267 VanDerWaalsContact O-CA 3.24Å; S260-I267 WeakPolarHBondContact O-CA 3.43Å; S260-I267 WeakPolarHBondContact O-CG2 3.47Å; S260-R268 PolarHBondContact N-O 2.58Å; S260-R268 PolarHBondContact O-N 2.75Å; S260-W270 PolarHBondContact OG-NE1 2.96Å |
| 261 | C | 98.2 | Very high | 91 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 155.5 | 176.2 | 71.1 | 0 | 0 | 0 | 0 | 111.3 | Y247 G248 S266 A297 C299 V300 V310 | Y247-C261 PolarHBondContact N-O 2.93Å; G248-C261 PolarHBondContact N-O 3.34Å; G248-C261 VanDerWaalsContact N-O 3.16Å; G248-C261 PolarHBondContact O-N 3.42Å; G248-C261 VanDerWaalsContact O-N 3.11Å; C261-S266 VanDerWaalsContact CA-O 3.29Å; C261-S266 WeakPolarHBondContact CA-O 3.41Å; C261-A297 HydrophobicContact CB-CB 3.73Å; C261-C299 VanDerWaalsContact SG-C 3.53Å; C261-V300 HydrophobicContact CB-CB 4.17Å; C261-V300 HydrophobicContact CB-CG1 4.33Å; C261-V310 HydrophobicContact CB-CG2 4.43Å |
| 262 | G | 92.6 | Very high | 91 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | -167.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | F245 D264 R265 S266 A297 | F245-G262 CarbonylContact O-C 3.56Å; F245-G262 WeakPolarHBondContact O-CA 3.19Å; G262-D264 PolarHBondContact O-N 2.85Å; G262-R265 PolarHBondContact O-N 3.24Å; G262-S266 PolarHBondContact N-O 3.26Å; G262-A297 PolarHBondContact O-N 2.66Å |
| 263 | E | 89.7 | Confident | 91.3 | Very high | 33 Ų | 33 | 29.6 Ų | 29.6 | 15% | 0.154 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -17.5 | 179.8 | -170.1 | 62 | -141.2 | 0 | 0 | 112.8 | N244 F245 Y247 R265 S296 | N244-E263 HydrophobicContact CB-CB 3.97Å; N244-E263 HydrophobicContact CB-CG 4.36Å; N244-E263 VanDerWaalsContact ND2-CG 3.34Å; N244-E263 WeakPolarHBondContact ND2-CG 3.39Å; F245-E263 HydrophobicContact CB-CB 4.13Å; F245-E263 PolarHBondContact O-N 3.46Å; Y247-E263 HydrophobicContact CE2-CB 3.82Å; Y247-E263 WeakPolarHBondContact CE2-OE2 3.24Å; Y247-E263 PolarHBondContact OH-OE2 2.95Å; E263-R265 PolarHBondContact O-N 2.9Å; E263-S296 PolarHBondContact OE1-OG 2.78Å; E263-S296 WeakPolarHBondContact OE2-CB 3.32Å; E263-S296 PolarHBondContact OE2-OG 3.28Å |
| 264 | D | 80.1 | Confident | 91.8 | Very high | 19 Ų | 19 | 27.6 Ų | 27.6 | 10% | 0.102 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 12.6 | 175.7 | 69.9 | -0.8 | 0 | 0 | 0 | 113.8 | H242 T243 N244 G262 S266 | H242-D264 WeakPolarHBondContact CA-OD2 3.29Å; H242-D264 WeakPolarHBondContact CB-OD2 3.23Å; H242-D264 IonicContact CE1-OD1 3.45Å; H242-D264 IonicContact CE1-OD2 3.9Å; H242-D264 IonicContact CG-OD2 3.52Å; H242-D264 VanDerWaalsContact ND1-CG 3.25Å; H242-D264 IonicContact ND1-OD1 3.56Å; H242-D264 PolarHBondContact ND1-OD1 2.97Å; H242-D264 IonicContact ND1-OD2 3.64Å; H242-D264 PolarHBondContact ND1-OD2 3.27Å; T243-D264 PolarHBondContact N-OD2 2.89Å; T243-D264 VanDerWaalsContact N-OD2 3.1Å; T243-D264 WeakPolarHBondContact OG1-CB 3.45Å; N244-D264 HydrophobicContact CB-CB 4.08Å; G262-D264 PolarHBondContact O-N 2.85Å; D264-S266 PolarHBondContact O-N 3.3Å; D264-S266 WeakPolarHBondContact OD1-CB 3.48Å; D264-S266 PolarHBondContact OD1-N 3.08Å; D264-S266 VanDerWaalsContact OD1-N 3.15Å; D264-S266 PolarHBondContact OD1-OG 2.67Å; D264-S266 PolarHBondContact OD2-OG 2.87Å |
| 265 | R | 90.2 | Very high | 92.1 | Very high | 27 Ų | 27 | 25.9 Ų | 25.9 | 10% | 0.102 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 63.7 | 21.5 | 177.9 | -46.3 | 179 | -65.9 | 145.6 | 8.1 | 113.8 | G262 E263 L291 L292 C294 Q295 V345 | G262-R265 PolarHBondContact O-N 3.24Å; E263-R265 PolarHBondContact O-N 2.9Å; R265-L291 CarbonylContact O-C 3.52Å; R265-L292 PolarHBondContact O-N 2.69Å; R265-C294 WeakPolarHBondContact CB-O 3.39Å; R265-C294 WeakPolarHBondContact CD-O 3.41Å; R265-C294 WeakPolarHBondContact CG-O 3.27Å; R265-Q295 WeakPolarHBondContact CG-O 3.34Å; R265-V345 VanDerWaalsContact NH2-CG1 3.29Å |
| 266 | S | 91.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.014 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 148.9 | -177.2 | 77.3 | 0 | 0 | 0 | 0 | 113 | H242 C261 G262 D264 I290 | H242-S266 PolarHBondContact CE1-OG 3.28Å; H242-S266 VanDerWaalsContact CE1-OG 3.29Å; H242-S266 PolarHBondContact ND1-OG 3.46Å; C261-S266 VanDerWaalsContact CA-O 3.29Å; C261-S266 WeakPolarHBondContact CA-O 3.41Å; G262-S266 PolarHBondContact N-O 3.26Å; D264-S266 PolarHBondContact O-N 3.3Å; D264-S266 WeakPolarHBondContact OD1-CB 3.48Å; D264-S266 PolarHBondContact OD1-N 3.08Å; D264-S266 VanDerWaalsContact OD1-N 3.15Å; D264-S266 PolarHBondContact OD1-OG 2.67Å; D264-S266 PolarHBondContact OD2-OG 2.87Å; S266-I290 CarbonylContact C-O 3.51Å; S266-I290 VanDerWaalsContact CA-O 3.3Å; S266-I290 WeakPolarHBondContact CA-O 3.41Å |
| 267 | I | 97.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 132.9 | 152.8 | -48 | 172.8 | 0 | 0 | 0 | 106.7 | V259 S260 I290 L292 I308 V310 F320 | V259-I267 HydrophobicContact CB-CG2 4.36Å; S260-I267 CarbonylContact O-C 3.55Å; S260-I267 VanDerWaalsContact O-CA 3.24Å; S260-I267 WeakPolarHBondContact O-CA 3.43Å; S260-I267 WeakPolarHBondContact O-CG2 3.47Å; I267-I290 HydrophobicContact CB-CB 4.23Å; I267-I290 PolarHBondContact N-O 3.36Å; I267-I290 PolarHBondContact O-N 3Å; I267-L292 HydrophobicContact CD1-CD1 4.33Å; I267-L292 HydrophobicContact CD1-CD2 4.23Å; I267-L292 HydrophobicContact CG1-CD1 3.84Å; I267-L292 HydrophobicContact CG1-CD2 4.48Å; I267-L292 HydrophobicContact CG1-CG 4.34Å; I267-I308 HydrophobicContact CD1-CG2 4.26Å; I267-I308 HydrophobicContact CG2-CG2 4.26Å; I267-V310 HydrophobicContact CD1-CB 3.8Å; I267-V310 HydrophobicContact CD1-CG1 3.72Å; I267-V310 HydrophobicContact CD1-CG2 4.17Å; I267-V310 HydrophobicContact CG1-CB 4.37Å; I267-V310 HydrophobicContact CG1-CG2 4.2Å; I267-F320 HydrophobicContact CD1-CD2 3.77Å; I267-F320 HydrophobicContact CD1-CE2 3.58Å; I267-F320 HydrophobicContact CD1-CZ 4.4Å |
| 268 | R | 95.3 | Very high | 92.4 | Very high | 15 Ų | 15 | 28.8 Ų | 28.8 | 6% | 0.057 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.6 | 171.9 | -68.3 | -178.1 | 177.4 | -89.6 | -3.9 | 109.7 | G241 V259 S260 W270 Q288 T289 | G241-R268 VanDerWaalsContact C-NE 3.31Å; G241-R268 PolarHBondContact O-NE 3.27Å; G241-R268 PolarHBondContact O-NH2 2.89Å; V259-R268 CarbonylContact C-O 3.37Å; V259-R268 VanDerWaalsContact CA-O 3.25Å; V259-R268 WeakPolarHBondContact CA-O 3.31Å; S260-R268 PolarHBondContact N-O 2.58Å; S260-R268 PolarHBondContact O-N 2.75Å; R268-W270 HydrophobicContact CB-CZ2 3.73Å; R268-W270 HydrophobicContact CG-CZ2 4.29Å; R268-W270 PolarHBondContact O-NE1 2.56Å; R268-Q288 WeakPolarHBondContact CA-O 3.38Å; R268-T289 HydrophobicContact CG-CG2 4.33Å; R268-T289 PolarHBondContact NH1-OG1 3.43Å |
| 269 | V | 96.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 134.4 | 173 | -173 | 0 | 0 | 0 | 0 | 107.9 | Y5 K257 V259 C286 F287 Q288 I290 I308 | Y5-V269 HydrophobicContact CD2-CG1 4.37Å; Y5-V269 HydrophobicContact CD2-CG2 3.99Å; Y5-V269 HydrophobicContact CE2-CG1 4.13Å; Y5-V269 HydrophobicContact CE2-CG2 4.4Å; K257-V269 HydrophobicContact CB-CG1 4.48Å; K257-V269 HydrophobicContact CD-CG1 4.15Å; K257-V269 HydrophobicContact CG-CG1 4.46Å; V259-V269 HydrophobicContact CG1-CG1 4.42Å; V259-V269 HydrophobicContact CG1-CG2 4.19Å; V269-C286 PolarHBondContact O-SG 2.96Å; V269-F287 HydrophobicContact CB-CD1 4.33Å; V269-F287 HydrophobicContact CG1-CD1 4.05Å; V269-F287 WeakPolarHBondContact O-CB 3.39Å; V269-F287 PolarHBondContact O-N 3Å; V269-Q288 HydrophobicContact CB-CB 4.1Å; V269-Q288 HydrophobicContact CG2-CB 4.23Å; V269-Q288 PolarHBondContact N-O 2.77Å; V269-Q288 PolarHBondContact O-N 2.94Å; V269-I290 HydrophobicContact CG2-CD1 4.4Å; V269-I308 HydrophobicContact CG2-CD1 3.92Å |
| 270 | W | 95 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 146.4 | -176.4 | -51.5 | 89.7 | 0 | 0 | 0 | 109.8 | I225 F239 Y240 K257 F258 S260 R268 C286 | I225-W270 HydrophobicContact CD1-CZ2 4.14Å; F239-W270 HydrophobicContact CB-CD2 4.37Å; F239-W270 HydrophobicContact CB-CE3 3.97Å; F239-W270 HydrophobicContact CB-CH2 4.03Å; F239-W270 HydrophobicContact CB-CZ2 4.42Å; F239-W270 HydrophobicContact CB-CZ3 3.78Å; F239-W270 HydrophobicContact CD1-CD2 4.16Å; F239-W270 AromaticContact CD1-CE3 3.71Å; F239-W270 HydrophobicContact CD1-CE3 3.71Å; F239-W270 HydrophobicContact CD1-CZ3 4.28Å; F239-W270 HydrophobicContact CG-CE3 4.3Å; Y240-W270 WeakPolarHBondContact O-CH2 3.39Å; K257-W270 WeakPolarHBondContact CA-O 3.25Å; K257-W270 WeakPolarHBondContact CB-O 3.23Å; F258-W270 HydrophobicContact CD1-CB 3.61Å; F258-W270 HydrophobicContact CD1-CG 4.33Å; F258-W270 HydrophobicContact CD2-CB 4.24Å; F258-W270 AromaticContact CD2-CD1 3.61Å; F258-W270 HydrophobicContact CD2-CG 4.15Å; F258-W270 HydrophobicContact CE1-CB 3.21Å; F258-W270 AromaticContact CE1-CG 3.75Å; F258-W270 HydrophobicContact CE1-CG 3.75Å; F258-W270 HydrophobicContact CE2-CB 3.89Å; F258-W270 AromaticContact CE2-CD1 3.15Å; F258-W270 HydrophobicContact CE2-CD2 4.29Å; F258-W270 AromaticContact CE2-CG 3.53Å; F258-W270 HydrophobicContact CE2-CG 3.53Å; F258-W270 AromaticContact CE2-NE1 3.72Å; F258-W270 HydrophobicContact CG-CB 4.11Å; F258-W270 HydrophobicContact CZ-CB 3.37Å; F258-W270 AromaticContact CZ-CD1 3.49Å; F258-W270 VanDerWaalsContact CZ-CD1 3.49Å; F258-W270 AromaticContact CZ-CD2 3.95Å; F258-W270 HydrophobicContact CZ-CD2 3.95Å; F258-W270 AromaticContact CZ-CG 3.31Å; F258-W270 HydrophobicContact CZ-CG 3.31Å; F258-W270 PolarHBondContact N-O 2.79Å; F258-W270 PolarHBondContact O-N 2.94Å; S260-W270 PolarHBondContact OG-NE1 2.96Å; R268-W270 HydrophobicContact CB-CZ2 3.73Å; R268-W270 HydrophobicContact CG-CZ2 4.29Å; R268-W270 PolarHBondContact O-NE1 2.56Å; W270-C286 HydrophobicContact CD2-CB 4.48Å; W270-C286 VanDerWaalsContact CE3-CA 3.44Å; W270-C286 HydrophobicContact CE3-CB 3.95Å; W270-C286 HydrophobicContact CH2-CB 3.83Å; W270-C286 HydrophobicContact CZ2-CB 4.36Å; W270-C286 VanDerWaalsContact CZ3-CA 3.47Å; W270-C286 HydrophobicContact CZ3-CB 3.6Å; W270-C286 VanDerWaalsContact CZ3-N 3.29Å |
| 271 | L | 92.5 | Very high | 90.9 | Very high | 87 Ų | 87 | 43.1 Ų | 43.1 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 133.7 | 170 | -64.4 | 172.7 | 0 | 0 | 0 | 108.9 | K257 P273 F287 | K257-L271 HydrophobicContact CG-CD2 3.98Å; L271-P273 WeakPolarHBondContact O-CD 3.46Å; L271-F287 HydrophobicContact CD1-CD2 3.95Å; L271-F287 HydrophobicContact CD2-CD2 4.33Å; L271-F287 HydrophobicContact CD2-CG 4.48Å; L271-F287 HydrophobicContact CG-CB 4.14Å; L271-F287 HydrophobicContact CG-CD2 4.1Å; L271-F287 HydrophobicContact CG-CG 4.26Å |
| 272 | L | 92.2 | Very high | 90.5 | Very high | 37 Ų | 37 | 48 Ų | 48 | 19% | 0.194 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 126.2 | 172.3 | -80 | 170.4 | 0 | 0 | 0 | 109.8 | I211 P256 F258 W278 | I211-L272 HydrophobicContact CD1-CD2 4.3Å; I211-L272 HydrophobicContact CG1-CD2 4.22Å; I211-L272 HydrophobicContact CG2-CD1 4.4Å; I211-L272 HydrophobicContact CG2-CD2 4.09Å; P256-L272 PolarHBondContact O-N 3.14Å; F258-L272 HydrophobicContact CD1-CD2 3.65Å; F258-L272 HydrophobicContact CD1-CG 4.02Å; F258-L272 HydrophobicContact CE1-CD2 4.26Å; L272-W278 HydrophobicContact CD2-CH2 4.45Å; L272-W278 HydrophobicContact CD2-CZ2 4.44Å |
| 273 | P | 92.1 | Very high | 90.2 | Very high | 14 Ų | 14 | 53.4 Ų | 53.4 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 146.7 | 176.1 | -20.8 | 29.2 | 0 | 0 | 0 | 113 | F239 L271 E277 W278 F284 | F239-P273 HydrophobicContact CZ-CG 4.42Å; L271-P273 WeakPolarHBondContact O-CD 3.46Å; P273-E277 WeakPolarHBondContact CA-OE2 3.37Å; P273-E277 HydrophobicContact CB-CB 3.89Å; P273-W278 HydrophobicContact CB-CD2 4.13Å; P273-W278 HydrophobicContact CB-CH2 4.41Å; P273-W278 HydrophobicContact CB-CZ2 3.96Å; P273-W278 VanDerWaalsContact CD-CH2 3.46Å; P273-W278 VanDerWaalsContact CD-CZ2 3.4Å; P273-W278 HydrophobicContact CG-CD2 4.24Å; P273-W278 HydrophobicContact CG-CE3 4.17Å; P273-W278 HydrophobicContact CG-CH2 3.69Å; P273-W278 HydrophobicContact CG-CZ2 3.72Å; P273-W278 HydrophobicContact CG-CZ3 3.88Å; P273-W278 PolarHBondContact O-NE1 3.33Å; P273-F284 HydrophobicContact CB-CD1 4.41Å; P273-F284 HydrophobicContact CB-CE1 3.64Å; P273-F284 HydrophobicContact CB-CZ 3.7Å; P273-F284 HydrophobicContact CG-CD1 3.62Å; P273-F284 HydrophobicContact CG-CD2 4.02Å; P273-F284 HydrophobicContact CG-CE1 3.23Å; P273-F284 HydrophobicContact CG-CE2 3.67Å; P273-F284 HydrophobicContact CG-CG 4Å; P273-F284 HydrophobicContact CG-CZ 3.25Å |
| 274 | S | 89 | Confident | 90.2 | Very high | 76 Ų | 76 | 53.4 Ų | 53.4 | 53% | 0.531 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 156.8 | 171.7 | -62.9 | 0 | 0 | 0 | 0 | 110.7 | G276 E277 W278 | S274-G276 PolarHBondContact O-N 2.96Å; S274-E277 PolarHBondContact N-OE2 3.42Å; S274-E277 WeakPolarHBondContact O-CB 3.15Å; S274-E277 PolarHBondContact O-N 2.85Å; S274-W278 VanDerWaalsContact O-CD1 3.27Å; S274-W278 PolarHBondContact O-NE1 3Å |
| 275 | A | 83.9 | Confident | 90.3 | Very high | 80 Ų | 80 | 57.5 Ų | 57.5 | 66% | 0.661 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -30.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 276 | G | 87.8 | Confident | 90.2 | Very high | 79 Ų | 79 | 57 Ų | 57 | 81% | 0.814 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -1.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | S274 | S274-G276 PolarHBondContact O-N 2.96Š|
| 277 | E | 92.3 | Very high | 90.3 | Very high | 103 Ų | 103 | 58.6 Ų | 58.6 | 48% | 0.481 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -12.9 | -175.7 | -66.1 | 177.3 | 163.6 | 0 | 0 | 113.3 | P273 S274 | P273-E277 WeakPolarHBondContact CA-OE2 3.37Å; P273-E277 HydrophobicContact CB-CB 3.89Å; S274-E277 PolarHBondContact N-OE2 3.42Å; S274-E277 WeakPolarHBondContact O-CB 3.15Å; S274-E277 PolarHBondContact O-N 2.85Å |
| 278 | W | 92.7 | Very high | 90.1 | Very high | 33 Ų | 33 | 59.2 Ų | 59.2 | 13% | 0.125 | 35% | 0.348 | C | S | . | . | trans | -70.6 | 132.6 | 177.4 | -61.1 | 96 | 0 | 0 | 0 | 111 | I211 A227 I236 F239 L272 P273 S274 F284 | I211-W278 HydrophobicContact CD1-CH2 3.8Å; I211-W278 HydrophobicContact CD1-CZ2 4.06Å; A227-W278 HydrophobicContact CB-CE3 4.04Å; A227-W278 HydrophobicContact CB-CH2 3.95Å; A227-W278 HydrophobicContact CB-CZ3 3.34Å; I236-W278 HydrophobicContact CB-CB 4.4Å; I236-W278 HydrophobicContact CD1-CB 4.44Å; I236-W278 HydrophobicContact CD1-CD2 4.23Å; I236-W278 HydrophobicContact CD1-CE3 4.22Å; I236-W278 HydrophobicContact CD1-CG 4.36Å; I236-W278 HydrophobicContact CG1-CE3 4.15Å; F239-W278 HydrophobicContact CE2-CH2 4.44Å; F239-W278 HydrophobicContact CE2-CZ3 4.18Å; F239-W278 AromaticContact CZ-CH2 3.98Å; F239-W278 HydrophobicContact CZ-CH2 3.98Å; F239-W278 AromaticContact CZ-CZ3 3.95Å; F239-W278 HydrophobicContact CZ-CZ3 3.95Å; L272-W278 HydrophobicContact CD2-CH2 4.45Å; L272-W278 HydrophobicContact CD2-CZ2 4.44Å; P273-W278 HydrophobicContact CB-CD2 4.13Å; P273-W278 HydrophobicContact CB-CH2 4.41Å; P273-W278 HydrophobicContact CB-CZ2 3.96Å; P273-W278 VanDerWaalsContact CD-CH2 3.46Å; P273-W278 VanDerWaalsContact CD-CZ2 3.4Å; P273-W278 HydrophobicContact CG-CD2 4.24Å; P273-W278 HydrophobicContact CG-CE3 4.17Å; P273-W278 HydrophobicContact CG-CH2 3.69Å; P273-W278 HydrophobicContact CG-CZ2 3.72Å; P273-W278 HydrophobicContact CG-CZ3 3.88Å; P273-W278 PolarHBondContact O-NE1 3.33Å; S274-W278 VanDerWaalsContact O-CD1 3.27Å; S274-W278 PolarHBondContact O-NE1 3Å; W278-F284 HydrophobicContact CE3-CE2 4.04Å; W278-F284 HydrophobicContact CE3-CZ 4.36Å; W278-F284 HydrophobicContact CZ3-CE2 4.06Å | ||
| 279 | A | 90.3 | Very high | 89.9 | Confident | 41 Ų | 41 | 59 Ų | 59 | 34% | 0.339 | 35% | 0.348 | S | S | . | . | trans | -157.7 | 149.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110 | I236 E281 K282 | I236-A279 CarbonylContact C-O 3.53Å; I236-A279 VanDerWaalsContact C-O 3.24Å; I236-A279 CarbonylContact O-C 3.49Å; I236-A279 PolarHBondContact O-N 2.92Å; A279-E281 PolarHBondContact O-N 2.74Å; A279-K282 HydrophobicContact CB-CB 4.16Å; A279-K282 WeakPolarHBondContact O-CB 3.44Å; A279-K282 PolarHBondContact O-N 2.8Å; A279-K282 VanDerWaalsContact O-N 3.14Å | ||
| 280 | P | 87.5 | Confident | 89.8 | Confident | 95 Ų | 95 | 59.5 Ų | 59.5 | 62% | 0.617 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 142 | 171 | -24.4 | 34.3 | 0 | 0 | 0 | 111.2 | K282 | P280-K282 PolarHBondContact O-N 3.48Š|
| 281 | E | 83.1 | Confident | 89.7 | Confident | 165 Ų | 165 | 60.3 Ų | 60.3 | 77% | 0.771 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 12.4 | -179.9 | -54 | 176.3 | -176.9 | 0 | 0 | 114.5 | A279 H283 | A279-E281 PolarHBondContact O-N 2.74Å; E281-H283 PolarHBondContact O-CD2 3.24Å; E281-H283 VanDerWaalsContact O-CD2 3.31Å; E281-H283 PolarHBondContact O-N 2.92Å |
| 282 | K | 88.4 | Confident | 89.8 | Confident | 101 Ų | 101 | 56.3 Ų | 56.3 | 44% | 0.439 | 33% | 0.334 | S | S | . | . | trans | -75.9 | 120.3 | 174.7 | -174.8 | 68.7 | 175.9 | -175 | 0 | 110.1 | G237 E238 A279 P280 F284 | G237-K282 WeakPolarHBondContact CA-O 3.49Å; E238-K282 PolarHBondContact N-O 2.96Å; A279-K282 HydrophobicContact CB-CB 4.16Å; A279-K282 WeakPolarHBondContact O-CB 3.44Å; A279-K282 PolarHBondContact O-N 2.8Å; A279-K282 VanDerWaalsContact O-N 3.14Å; P280-K282 PolarHBondContact O-N 3.48Å; K282-F284 HydrophobicContact CB-CE2 4.2Å; K282-F284 HydrophobicContact CB-CZ 4.31Å; K282-F284 HydrophobicContact CG-CD2 4.5Å; K282-F284 HydrophobicContact CG-CE1 4.01Å; K282-F284 HydrophobicContact CG-CE2 3.76Å; K282-F284 HydrophobicContact CG-CZ 3.47Å; K282-F284 VanDerWaalsContact CG-CZ 3.47Å | ||
| 283 | H | 87 | Confident | 89.7 | Confident | 115 Ų | 115 | 54.8 Ų | 54.8 | 53% | 0.532 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 132.6 | 176.3 | -59.2 | 172.8 | 0 | 0 | 0 | 111.6 | E238 Y240 E281 | E238-H283 WeakPolarHBondContact O-CA 3.46Å; E238-H283 IonicContact OE2-CD2 4Å; E238-H283 IonicContact OE2-NE2 3.44Å; Y240-H283 AromaticContact CE2-CD2 3.74Å; Y240-H283 AromaticContact CE2-CE1 3.85Å; Y240-H283 AromaticContact CE2-NE2 3.57Å; E281-H283 PolarHBondContact O-CD2 3.24Å; E281-H283 VanDerWaalsContact O-CD2 3.31Å; E281-H283 PolarHBondContact O-N 2.92Å |
| 284 | F | 89 | Confident | 89.6 | Confident | 33 Ų | 33 | 54.2 Ų | 54.2 | 15% | 0.145 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 147.8 | 174.2 | -61.9 | -78.2 | 0 | 0 | 0 | 110.8 | E238 F239 P273 W278 K282 | E238-F284 PolarHBondContact O-N 3.27Å; F239-F284 HydrophobicContact CD1-CB 3.42Å; F239-F284 VanDerWaalsContact CD1-CB 3.42Å; F239-F284 HydrophobicContact CD1-CD2 4.28Å; F239-F284 HydrophobicContact CD1-CG 4.21Å; F239-F284 HydrophobicContact CE1-CB 3.39Å; F239-F284 AromaticContact CE1-CD2 3.74Å; F239-F284 HydrophobicContact CE1-CD2 3.74Å; F239-F284 AromaticContact CE1-CG 3.73Å; F239-F284 HydrophobicContact CE1-CG 3.73Å; F239-F284 HydrophobicContact CE2-CD2 4.24Å; F239-F284 HydrophobicContact CG-CB 4.27Å; F239-F284 HydrophobicContact CZ-CB 4.25Å; F239-F284 AromaticContact CZ-CD2 3.71Å; F239-F284 HydrophobicContact CZ-CD2 3.71Å; F239-F284 HydrophobicContact CZ-CE2 4.41Å; F239-F284 HydrophobicContact CZ-CG 4.17Å; P273-F284 HydrophobicContact CB-CD1 4.41Å; P273-F284 HydrophobicContact CB-CE1 3.64Å; P273-F284 HydrophobicContact CB-CZ 3.7Å; P273-F284 HydrophobicContact CG-CD1 3.62Å; P273-F284 HydrophobicContact CG-CD2 4.02Å; P273-F284 HydrophobicContact CG-CE1 3.23Å; P273-F284 HydrophobicContact CG-CE2 3.67Å; P273-F284 HydrophobicContact CG-CG 4Å; P273-F284 HydrophobicContact CG-CZ 3.25Å; W278-F284 HydrophobicContact CE3-CE2 4.04Å; W278-F284 HydrophobicContact CE3-CZ 4.36Å; W278-F284 HydrophobicContact CZ3-CE2 4.06Å; K282-F284 HydrophobicContact CB-CE2 4.2Å; K282-F284 HydrophobicContact CB-CZ 4.31Å; K282-F284 HydrophobicContact CG-CD2 4.5Å; K282-F284 HydrophobicContact CG-CE1 4.01Å; K282-F284 HydrophobicContact CG-CE2 3.76Å; K282-F284 HydrophobicContact CG-CZ 3.47Å; K282-F284 VanDerWaalsContact CG-CZ 3.47Å |
| 285 | S | 83.3 | Confident | 89.4 | Confident | 105 Ų | 105 | 55.3 Ų | 55.3 | 73% | 0.734 | 32% | 0.32 | S | S | * | . | trans | -99.8 | 152.9 | -176.5 | 57.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 286 | C | 88.9 | Confident | 89.8 | Confident | 16 Ų | 16 | 51.7 Ų | 51.7 | 11% | 0.108 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 135.2 | 177.4 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | V269 W270 Q288 | V269-C286 PolarHBondContact O-SG 2.96Å; W270-C286 HydrophobicContact CD2-CB 4.48Å; W270-C286 VanDerWaalsContact CE3-CA 3.44Å; W270-C286 HydrophobicContact CE3-CB 3.95Å; W270-C286 HydrophobicContact CH2-CB 3.83Å; W270-C286 HydrophobicContact CZ2-CB 4.36Å; W270-C286 VanDerWaalsContact CZ3-CA 3.47Å; W270-C286 HydrophobicContact CZ3-CB 3.6Å; W270-C286 VanDerWaalsContact CZ3-N 3.29Å; C286-Q288 VanDerWaalsContact SG-C 3.58Å; C286-Q288 PolarHBondContact SG-O 3.08Å |
| 287 | F | 91.6 | Very high | 90.2 | Very high | 36 Ų | 36 | 48 Ų | 48 | 16% | 0.158 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -38.4 | 178.2 | 170.5 | -97.3 | 0 | 0 | 0 | 112.5 | V2 V269 L271 Q394 | V2-F287 HydrophobicContact CG1-CE2 4.03Å; V2-F287 HydrophobicContact CG1-CZ 3.52Å; V269-F287 HydrophobicContact CB-CD1 4.33Å; V269-F287 HydrophobicContact CG1-CD1 4.05Å; V269-F287 WeakPolarHBondContact O-CB 3.39Å; V269-F287 PolarHBondContact O-N 3Å; L271-F287 HydrophobicContact CD1-CD2 3.95Å; L271-F287 HydrophobicContact CD2-CD2 4.33Å; L271-F287 HydrophobicContact CD2-CG 4.48Å; L271-F287 HydrophobicContact CG-CB 4.14Å; L271-F287 HydrophobicContact CG-CD2 4.1Å; L271-F287 HydrophobicContact CG-CG 4.26Å; F287-Q394 PolarHBondContact O-NE2 3.42Å |
| 288 | Q | 93.5 | Very high | 90.5 | Very high | 13 Ų | 13 | 44.8 Ų | 44.8 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 134.8 | 178.6 | -175.6 | -175.7 | -4.9 | 0 | 0 | 110.3 | V4 Y5 R268 V269 C286 I290 | V4-Q288 VanDerWaalsContact CG1-NE2 3.27Å; Y5-Q288 PolarHBondContact O-NE2 3.25Å; R268-Q288 WeakPolarHBondContact CA-O 3.38Å; V269-Q288 HydrophobicContact CB-CB 4.1Å; V269-Q288 HydrophobicContact CG2-CB 4.23Å; V269-Q288 PolarHBondContact N-O 2.77Å; V269-Q288 PolarHBondContact O-N 2.94Å; C286-Q288 VanDerWaalsContact SG-C 3.58Å; C286-Q288 PolarHBondContact SG-O 3.08Å; Q288-I290 HydrophobicContact CG-CG1 4.16Å |
| 289 | T | 91.9 | Very high | 90.7 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 6% | 0.055 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 121.4 | 170.8 | -55.5 | 0 | 0 | 0 | 0 | 110 | R268 E374 Q390 | R268-T289 HydrophobicContact CG-CG2 4.33Å; R268-T289 PolarHBondContact NH1-OG1 3.43Å; T289-E374 PolarHBondContact N-OE1 2.89Å; T289-Q390 PolarHBondContact O-NE2 3.04Å |
| 290 | I | 94.7 | Very high | 91.1 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 6% | 0.062 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 116.5 | 178.3 | -52.4 | 171.4 | 0 | 0 | 0 | 107.8 | S266 I267 V269 Q288 F320 | S266-I290 CarbonylContact C-O 3.51Å; S266-I290 VanDerWaalsContact CA-O 3.3Å; S266-I290 WeakPolarHBondContact CA-O 3.41Å; I267-I290 HydrophobicContact CB-CB 4.23Å; I267-I290 PolarHBondContact N-O 3.36Å; I267-I290 PolarHBondContact O-N 3Å; V269-I290 HydrophobicContact CG2-CD1 4.4Å; Q288-I290 HydrophobicContact CG-CG1 4.16Å; I290-F320 HydrophobicContact CD1-CD1 4.19Å; I290-F320 HydrophobicContact CD1-CG 4.29Å; I290-F320 HydrophobicContact CG2-CD1 3.9Å; I290-F320 HydrophobicContact CG2-CE1 3.44Å; I290-F320 VanDerWaalsContact CG2-CE1 3.44Å; I290-F320 HydrophobicContact CG2-CZ 3.8Å |
| 291 | L | 92.3 | Very high | 91.5 | Very high | 17 Ų | 17 | 38.4 Ų | 38.4 | 9% | 0.089 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 150 | 176.5 | -69.4 | 166.4 | 0 | 0 | 0 | 110.9 | R265 Y336 L340 Q390 V401 | R265-L291 CarbonylContact O-C 3.52Å; L291-Y336 PolarHBondContact O-OH 3.22Å; L291-L340 HydrophobicContact CB-CD1 4.36Å; L291-L340 HydrophobicContact CB-CD2 3.95Å; L291-Q390 HydrophobicContact CD1-CB 4Å; L291-Q390 HydrophobicContact CD1-CG 4.44Å; L291-V401 HydrophobicContact CD1-CB 4.12Å; L291-V401 HydrophobicContact CD1-CG1 3.68Å; L291-V401 HydrophobicContact CD1-CG2 3.43Å; L291-V401 VanDerWaalsContact CD1-CG2 3.43Å |
| 292 | L | 93.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | trans | -121.6 | 141.9 | -179.5 | -61.4 | 163.7 | 0 | 0 | 0 | 110.4 | R265 I267 C294 A297 V310 F320 L340 | R265-L292 PolarHBondContact O-N 2.69Å; I267-L292 HydrophobicContact CD1-CD1 4.33Å; I267-L292 HydrophobicContact CD1-CD2 4.23Å; I267-L292 HydrophobicContact CG1-CD1 3.84Å; I267-L292 HydrophobicContact CG1-CD2 4.48Å; I267-L292 HydrophobicContact CG1-CG 4.34Å; L292-C294 PolarHBondContact O-N 3.47Å; L292-A297 HydrophobicContact CD1-CB 3.56Å; L292-V310 HydrophobicContact CD1-CG1 4.21Å; L292-V310 HydrophobicContact CD1-CG2 3.98Å; L292-V310 HydrophobicContact CD2-CG1 3.95Å; L292-F320 HydrophobicContact CD2-CE2 3.85Å; L292-F320 HydrophobicContact CD2-CZ 3.68Å; L292-L340 VanDerWaalsContact C-CD2 3.45Å | ||
| 293 | P | 90.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 4% | 0.039 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -82.6 | 49.8 | 176.3 | 33 | -32.3 | 0 | 0 | 0 | 111.6 | Y336 E339 L340 F343 | P293-Y336 HydrophobicContact CG-CE2 4.05Å; P293-E339 HydrophobicContact CB-CB 4.3Å; P293-E339 HydrophobicContact CB-CG 3.64Å; P293-E339 HydrophobicContact CG-CB 4.41Å; P293-E339 HydrophobicContact CG-CG 3.85Å; P293-E339 VanDerWaalsContact CG-OE1 3.23Å; P293-E339 WeakPolarHBondContact CG-OE1 3.47Å; P293-L340 HydrophobicContact CB-CD2 4.12Å; P293-L340 HydrophobicContact CG-CD2 4.37Å; P293-F343 VanDerWaalsContact C-CE2 3.47Å; P293-F343 HydrophobicContact CB-CD2 4.19Å; P293-F343 VanDerWaalsContact O-CE2 3.32Å; P293-F343 WeakPolarHBondContact O-CE2 3.14Å |
| 294 | C | 90 | Very high | 92.5 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -136.9 | 165.9 | 174.1 | 64.3 | 0 | 0 | 0 | 0 | 109.7 | R265 L292 S296 D314 | R265-C294 WeakPolarHBondContact CB-O 3.39Å; R265-C294 WeakPolarHBondContact CD-O 3.41Å; R265-C294 WeakPolarHBondContact CG-O 3.27Å; L292-C294 PolarHBondContact O-N 3.47Å; C294-S296 PolarHBondContact SG-O 3.06Å; C294-D314 HydrophobicContact CB-CB 3.84Å |
| 295 | Q | 86.3 | Confident | 92.5 | Very high | 98 Ų | 98 | 24.2 Ų | 24.2 | 46% | 0.458 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -73.5 | -36.5 | 178.9 | -178.5 | 59.6 | 37.1 | 0 | 0 | 112.1 | R265 S313 | R265-Q295 WeakPolarHBondContact CG-O 3.34Å; Q295-S313 PolarHBondContact N-OG 2.96Å; Q295-S313 VanDerWaalsContact N-OG 3.15Å |
| 296 | S | 91.4 | Very high | 93 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 4% | 0.035 | 10% | 0.103 | C | C | . | . | trans | -144 | 143.3 | -178.7 | -36.5 | 0 | 0 | 0 | 0 | 110.8 | E263 C294 S313 | E263-S296 PolarHBondContact OE1-OG 2.78Å; E263-S296 WeakPolarHBondContact OE2-CB 3.32Å; E263-S296 PolarHBondContact OE2-OG 3.28Å; C294-S296 PolarHBondContact SG-O 3.06Å; S296-S313 PolarHBondContact N-OG 3.21Å; S296-S313 VanDerWaalsContact N-OG 3.17Å; S296-S313 PolarHBondContact O-N 3.15Å | ||
| 297 | A | 96.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 106.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y247 C261 G262 L292 V310 | Y247-A297 WeakPolarHBondContact CD2-O 3.34Å; C261-A297 HydrophobicContact CB-CB 3.73Å; G262-A297 PolarHBondContact O-N 2.66Å; L292-A297 HydrophobicContact CD1-CB 3.56Å; A297-V310 HydrophobicContact CB-CG2 3.86Å |
| 298 | W | 97.6 | Very high | 93.5 | Very high | 36 Ų | 36 | 16.7 Ų | 16.7 | 14% | 0.136 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -32.6 | -168.9 | -72 | 120.9 | 0 | 0 | 0 | 113.8 | D17 V18 Y247 G311 | D17-W298 PolarHBondContact OD2-NE1 3.13Å; V18-W298 VanDerWaalsContact O-CB 3.29Å; V18-W298 WeakPolarHBondContact O-CB 3.37Å; Y247-W298 WeakPolarHBondContact CB-O 3.26Å; Y247-W298 HydrophobicContact CD2-CD2 4.31Å; Y247-W298 AromaticContact CD2-CE3 3.44Å; Y247-W298 HydrophobicContact CD2-CE3 3.44Å; Y247-W298 VanDerWaalsContact CD2-CE3 3.44Å; Y247-W298 AromaticContact CD2-CZ3 3.68Å; Y247-W298 HydrophobicContact CD2-CZ3 3.68Å; Y247-W298 HydrophobicContact CE1-CZ3 4.31Å; Y247-W298 HydrophobicContact CE2-CD2 4.38Å; Y247-W298 AromaticContact CE2-CE3 3.48Å; Y247-W298 HydrophobicContact CE2-CE3 3.48Å; Y247-W298 VanDerWaalsContact CE2-CE3 3.48Å; Y247-W298 AromaticContact CE2-CH2 3.91Å; Y247-W298 HydrophobicContact CE2-CH2 3.91Å; Y247-W298 AromaticContact CE2-CZ3 3.2Å; Y247-W298 HydrophobicContact CE2-CZ3 3.2Å; Y247-W298 HydrophobicContact CG-CE3 4.15Å; Y247-W298 HydrophobicContact CG-CZ3 4.38Å; Y247-W298 AromaticContact CZ-CZ3 3.54Å; W298-G311 PolarHBondContact N-O 3.28Å |
| 299 | C | 98.1 | Very high | 93.7 | Very high | 12 Ų | 12 | 16.1 Ų | 16.1 | 8% | 0.081 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 152 | -173.2 | 59.4 | 0 | 0 | 0 | 0 | 111.4 | R19 A20 V21 C261 V310 G311 | R19-C299 WeakPolarHBondContact O-CB 3.3Å; A20-C299 VanDerWaalsContact C-SG 3.59Å; A20-C299 VanDerWaalsContact CA-SG 3.55Å; V21-C299 HydrophobicContact CG2-CB 4.23Å; C261-C299 VanDerWaalsContact SG-C 3.53Å; C299-V310 WeakPolarHBondContact O-CA 3.48Å; C299-V310 VanDerWaalsContact O-CG2 3.31Å; C299-V310 WeakPolarHBondContact O-CG2 3.49Å; C299-G311 PolarHBondContact O-N 3.47Å |
| 300 | V | 98.3 | Very high | 94 | Very high | 13 Ų | 13 | 15.8 Ų | 15.8 | 8% | 0.079 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 144.9 | 178.1 | 66.9 | 0 | 0 | 0 | 0 | 110.1 | A250 V259 C261 I308 V309 | A250-V300 HydrophobicContact CB-CG1 4.26Å; V259-V300 HydrophobicContact CB-CG2 4.41Å; V259-V300 HydrophobicContact CG2-CG1 4.16Å; V259-V300 HydrophobicContact CG2-CG2 3.56Å; C261-V300 HydrophobicContact CB-CB 4.17Å; C261-V300 HydrophobicContact CB-CG1 4.33Å; V300-I308 HydrophobicContact CG2-CG2 3.6Å; V300-V309 CarbonylContact C-O 3.53Å; V300-V309 VanDerWaalsContact CA-O 3.26Å; V300-V309 WeakPolarHBondContact CA-O 3.43Å; V300-V309 WeakPolarHBondContact CG2-O 3.37Å |
| 301 | A | 96.8 | Very high | 94.2 | Very high | 11 Ų | 11 | 15.2 Ų | 15.2 | 9% | 0.091 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 152.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V21 V309 | V21-A301 HydrophobicContact CG2-CB 3.83Å; A301-V309 PolarHBondContact N-O 2.98Å; A301-V309 PolarHBondContact O-N 2.93Å |
| 302 | M | 94.9 | Very high | 94.3 | Very high | 18 Ų | 18 | 14.5 Ų | 14.5 | 9% | 0.089 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 127.2 | 168.6 | -69 | -175.9 | 71.7 | 0 | 0 | 109.1 | C23 A250 F255 V259 D307 | C23-M302 PolarHBondContact SG-O 3.25Å; A250-M302 HydrophobicContact CB-CG 4.01Å; F255-M302 HydrophobicContact CB-CE 4.1Å; F255-M302 HydrophobicContact CD2-CE 4.32Å; F255-M302 HydrophobicContact CG-CE 4.39Å; V259-M302 HydrophobicContact CG1-SD 4.47Å; V259-M302 HydrophobicContact CG2-CG 3.81Å; V259-M302 HydrophobicContact CG2-SD 4.29Å; M302-D307 WeakPolarHBondContact CA-O 3.43Å |
| 303 | V | 93.2 | Very high | 94.4 | Very high | 5 Ų | 5 | 15.6 Ų | 15.6 | 3% | 0.03 | 9% | 0.087 | C | C | . | . | trans | -74.3 | 148.6 | 172.9 | -177 | 0 | 0 | 0 | 0 | 108.3 | I29 N305 G306 D307 V309 | I29-V303 HydrophobicContact CG2-CG2 4.37Å; V303-N305 VanDerWaalsContact CB-OD1 3.28Å; V303-N305 WeakPolarHBondContact CB-OD1 3.28Å; V303-N305 WeakPolarHBondContact CG1-OD1 3.47Å; V303-N305 PolarHBondContact O-N 3.29Å; V303-N305 VanDerWaalsContact O-N 3.1Å; V303-G306 WeakPolarHBondContact O-CA 3.38Å; V303-G306 PolarHBondContact O-N 3.44Å; V303-D307 HydrophobicContact CB-CB 4.19Å; V303-D307 HydrophobicContact CG2-CB 4.25Å; V303-D307 PolarHBondContact N-O 2.77Å; V303-V309 HydrophobicContact CG2-CG2 3.47Å; V303-V309 VanDerWaalsContact CG2-CG2 3.47Å | ||
| 304 | P | 90.1 | Very high | 94.5 | Very high | 58 Ų | 58 | 17.3 Ų | 17.3 | 38% | 0.377 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.5 | -177.5 | -18.9 | 29.4 | 0 | 0 | 0 | 114.4 | D26 F255 G306 | D26-P304 VanDerWaalsContact OD1-C 3.31Å; D26-P304 WeakPolarHBondContact OD1-CB 3.34Å; D26-P304 WeakPolarHBondContact OD1-CD 3.44Å; F255-P304 WeakPolarHBondContact CE2-O 3.44Å; P304-G306 VanDerWaalsContact C-N 3.28Å; P304-G306 PolarHBondContact O-N 3.39Å |
| 305 | N | 90.3 | Very high | 94.7 | Very high | 34 Ų | 34 | 18.3 Ų | 18.3 | 18% | 0.182 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -2 | 170.1 | 72.4 | 2.3 | 0 | 0 | 0 | 115.2 | D26 F255 V303 D307 | D26-N305 HydrophobicContact CB-CB 4.22Å; D26-N305 PolarHBondContact OD1-N 2.9Å; F255-N305 VanDerWaalsContact CZ-C 3.44Å; F255-N305 WeakPolarHBondContact CZ-O 3.05Å; V303-N305 VanDerWaalsContact CB-OD1 3.28Å; V303-N305 WeakPolarHBondContact CB-OD1 3.28Å; V303-N305 WeakPolarHBondContact CG1-OD1 3.47Å; V303-N305 PolarHBondContact O-N 3.29Å; V303-N305 VanDerWaalsContact O-N 3.1Å; N305-D307 WeakPolarHBondContact OD1-CB 3.28Å; N305-D307 PolarHBondContact OD1-N 3.32Å |
| 306 | G | 92.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | S | Bend | trans | 94.6 | -3.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y5 F255 V303 P304 | Y5-G306 WeakPolarHBondContact CE1-O 3.33Å; Y5-G306 PolarHBondContact OH-O 3.18Å; F255-G306 VanDerWaalsContact CE2-N 3.27Å; V303-G306 WeakPolarHBondContact O-CA 3.38Å; V303-G306 PolarHBondContact O-N 3.44Å; P304-G306 VanDerWaalsContact C-N 3.28Å; P304-G306 PolarHBondContact O-N 3.39Å |
| 307 | D | 94.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -68.7 | 152.1 | 174.8 | -68.6 | -2.3 | 0 | 0 | 0 | 111 | R8 M302 V303 N305 I319 F320 S321 R326 | R8-D307 VanDerWaalsContact CD-OD2 3.32Å; R8-D307 WeakPolarHBondContact CD-OD2 3.44Å; R8-D307 IonicContact CZ-OD2 3.57Å; R8-D307 IonicContact NE-OD2 3.81Å; R8-D307 IonicContact NH1-OD2 2.6Å; R8-D307 PolarHBondContact NH1-OD2 2.85Å; M302-D307 WeakPolarHBondContact CA-O 3.43Å; V303-D307 HydrophobicContact CB-CB 4.19Å; V303-D307 HydrophobicContact CG2-CB 4.25Å; V303-D307 PolarHBondContact N-O 2.77Å; N305-D307 WeakPolarHBondContact OD1-CB 3.28Å; N305-D307 PolarHBondContact OD1-N 3.32Å; D307-I319 HydrophobicContact CB-CG2 4.12Å; D307-F320 CarbonylContact C-O 3.24Å; D307-F320 WeakPolarHBondContact CA-O 3.24Å; D307-F320 WeakPolarHBondContact CB-O 3.29Å; D307-S321 WeakPolarHBondContact OD1-CB 3.46Å; D307-S321 PolarHBondContact OD1-OG 3.48Å; D307-R326 IonicContact OD1-CZ 3.96Å; D307-R326 IonicContact OD1-NE 3.03Å; D307-R326 PolarHBondContact OD1-NE 3.44Å; D307-R326 IonicContact OD1-NH2 2.61Å; D307-R326 PolarHBondContact OD1-NH2 3.45Å; D307-R326 IonicContact OD2-NE 3.52Å; D307-R326 PolarHBondContact OD2-NE 3.29Å | ||
| 308 | I | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 130 | 179.5 | -57.2 | 164.8 | 0 | 0 | 0 | 108.6 | Y5 V259 I267 V269 V300 I319 F320 | Y5-I308 HydrophobicContact CD1-CD1 3.46Å; Y5-I308 VanDerWaalsContact CD1-CD1 3.46Å; Y5-I308 HydrophobicContact CD1-CG1 3.88Å; Y5-I308 HydrophobicContact CD2-CD1 3.87Å; Y5-I308 HydrophobicContact CE1-CD1 3.55Å; Y5-I308 HydrophobicContact CE1-CG1 3.59Å; Y5-I308 HydrophobicContact CE2-CD1 3.93Å; Y5-I308 HydrophobicContact CG-CD1 3.63Å; V259-I308 HydrophobicContact CG1-CD1 3.65Å; V259-I308 HydrophobicContact CG1-CG1 3.95Å; V259-I308 HydrophobicContact CG2-CG2 4.36Å; I267-I308 HydrophobicContact CD1-CG2 4.26Å; I267-I308 HydrophobicContact CG2-CG2 4.26Å; V269-I308 HydrophobicContact CG2-CD1 3.92Å; V300-I308 HydrophobicContact CG2-CG2 3.6Å; I308-I319 CarbonylContact O-C 3.38Å; I308-I319 VanDerWaalsContact O-CA 3.23Å; I308-I319 WeakPolarHBondContact O-CA 3.33Å; I308-F320 HydrophobicContact CB-CB 4.34Å; I308-F320 PolarHBondContact N-O 3.3Å; I308-F320 PolarHBondContact O-N 3.12Å |
| 309 | V | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.9 | 175.3 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | V21 I29 V300 A301 V303 I317 I319 | V21-V309 HydrophobicContact CB-CG1 4.32Å; V21-V309 HydrophobicContact CG1-CG1 4.22Å; V21-V309 HydrophobicContact CG2-CG1 4.43Å; I29-V309 HydrophobicContact CD1-CG1 3.66Å; I29-V309 HydrophobicContact CD1-CG2 4.26Å; I29-V309 HydrophobicContact CG2-CG2 4.21Å; V300-V309 CarbonylContact C-O 3.53Å; V300-V309 VanDerWaalsContact CA-O 3.26Å; V300-V309 WeakPolarHBondContact CA-O 3.43Å; V300-V309 WeakPolarHBondContact CG2-O 3.37Å; A301-V309 PolarHBondContact N-O 2.98Å; A301-V309 PolarHBondContact O-N 2.93Å; V303-V309 HydrophobicContact CG2-CG2 3.47Å; V303-V309 VanDerWaalsContact CG2-CG2 3.47Å; V309-I317 HydrophobicContact CG1-CG2 3.63Å; V309-I319 HydrophobicContact CG2-CD1 4.18Å; V309-I319 HydrophobicContact CG2-CG1 4.09Å; V309-I319 HydrophobicContact CG2-CG2 4.29Å |
| 310 | V | 98.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.012 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 139.6 | 178.9 | 68.1 | 0 | 0 | 0 | 0 | 111.1 | C261 I267 L292 A297 C299 I317 R318 F320 | C261-V310 HydrophobicContact CB-CG2 4.43Å; I267-V310 HydrophobicContact CD1-CB 3.8Å; I267-V310 HydrophobicContact CD1-CG1 3.72Å; I267-V310 HydrophobicContact CD1-CG2 4.17Å; I267-V310 HydrophobicContact CG1-CB 4.37Å; I267-V310 HydrophobicContact CG1-CG2 4.2Å; L292-V310 HydrophobicContact CD1-CG1 4.21Å; L292-V310 HydrophobicContact CD1-CG2 3.98Å; L292-V310 HydrophobicContact CD2-CG1 3.95Å; A297-V310 HydrophobicContact CB-CG2 3.86Å; C299-V310 WeakPolarHBondContact O-CA 3.48Å; C299-V310 VanDerWaalsContact O-CG2 3.31Å; C299-V310 WeakPolarHBondContact O-CG2 3.49Å; V310-I317 CarbonylContact O-C 3.58Å; V310-I317 VanDerWaalsContact O-CA 3.27Å; V310-I317 WeakPolarHBondContact O-CA 3.46Å; V310-I317 WeakPolarHBondContact O-CG2 3.48Å; V310-R318 HydrophobicContact CG1-CB 3.77Å; V310-R318 WeakPolarHBondContact CG1-O 3.15Å; V310-R318 PolarHBondContact N-O 3.47Å; V310-R318 PolarHBondContact O-N 2.91Å; V310-F320 HydrophobicContact CG1-CE2 3.95Å |
| 311 | G | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 128.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | W298 C299 | W298-G311 PolarHBondContact N-O 3.28Å; C299-G311 PolarHBondContact O-N 3.47Å |
| 312 | G | 96 | Very high | 95 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 164 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V18 D314 M316 | V18-G312 PolarHBondContact N-O 2.95Å; G312-D314 WeakPolarHBondContact CA-OD1 3.48Å; G312-D314 PolarHBondContact O-N 3.38Å; G312-M316 PolarHBondContact N-O 2.91Å |
| 313 | S | 94.7 | Very high | 94.9 | Very high | 25 Ų | 25 | 16 Ų | 16 | 18% | 0.175 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -9.2 | 169.6 | 69.9 | 0 | 0 | 0 | 0 | 113.6 | Q295 S296 S315 | Q295-S313 PolarHBondContact N-OG 2.96Å; Q295-S313 VanDerWaalsContact N-OG 3.15Å; S296-S313 PolarHBondContact N-OG 3.21Å; S296-S313 VanDerWaalsContact N-OG 3.17Å; S296-S313 PolarHBondContact O-N 3.15Å; S313-S315 VanDerWaalsContact C-N 3.34Å |
| 314 | D | 92.3 | Very high | 94.7 | Very high | 42 Ų | 42 | 20.3 Ų | 20.3 | 23% | 0.225 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 15 | -178.2 | 64.1 | -21.2 | 0 | 0 | 0 | 112.9 | C294 G312 M316 R318 | C294-D314 HydrophobicContact CB-CB 3.84Å; G312-D314 WeakPolarHBondContact CA-OD1 3.48Å; G312-D314 PolarHBondContact O-N 3.38Å; D314-M316 PolarHBondContact O-N 3.42Å; D314-M316 PolarHBondContact OD1-N 3.43Å; D314-R318 IonicContact OD1-NH1 2.77Å; D314-R318 PolarHBondContact OD1-NH1 3.15Å; D314-R318 IonicContact OD2-CZ 2.87Å; D314-R318 IonicContact OD2-NH1 3.82Å; D314-R318 PolarHBondContact OD2-NH1 3.23Å; D314-R318 IonicContact OD2-NH2 3.88Å; D314-R318 PolarHBondContact OD2-NH2 2.87Å |
| 315 | S | 94.5 | Very high | 94.7 | Very high | 23 Ų | 23 | 22.2 Ų | 22.2 | 16% | 0.161 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 67.7 | 6.9 | -176.2 | -33.1 | 0 | 0 | 0 | 0 | 115.4 | H14 K15 S16 S313 | H14-S315 VanDerWaalsContact O-CB 3.28Å; H14-S315 WeakPolarHBondContact O-CB 3.36Å; K15-S315 VanDerWaalsContact C-OG 3.3Å; S16-S315 WeakPolarHBondContact CA-OG 3.37Å; S16-S315 PolarHBondContact N-OG 3.33Å; S16-S315 VanDerWaalsContact O-CA 3.32Å; S16-S315 WeakPolarHBondContact O-CA 3.43Å; S16-S315 WeakPolarHBondContact O-CB 3.36Å; S16-S315 PolarHBondContact O-OG 2.97Å; S313-S315 VanDerWaalsContact C-N 3.34Å |
| 316 | M | 95.4 | Very high | 94.8 | Very high | 61 Ų | 61 | 22 Ų | 22 | 30% | 0.3 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 148.7 | -178.2 | -60.8 | -63.1 | -179.9 | 0 | 0 | 111.4 | T10 G312 D314 | T10-M316 HydrophobicContact CG2-CB 4.06Å; T10-M316 HydrophobicContact CG2-CG 4.28Å; T10-M316 HydrophobicContact CG2-SD 4.12Å; G312-M316 PolarHBondContact N-O 2.91Å; D314-M316 PolarHBondContact O-N 3.42Å; D314-M316 PolarHBondContact OD1-N 3.43Å |
| 317 | I | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 130.6 | 165.8 | -56.3 | 164.4 | 0 | 0 | 0 | 107 | T10 L11 V18 I29 S31 W41 V309 V310 | T10-I317 CarbonylContact C-O 3.59Å; T10-I317 WeakPolarHBondContact CA-O 3.39Å; L11-I317 HydrophobicContact CB-CB 4.14Å; L11-I317 HydrophobicContact CD1-CB 4.33Å; L11-I317 HydrophobicContact CD1-CG2 4.2Å; L11-I317 HydrophobicContact CG-CB 4.47Å; L11-I317 PolarHBondContact N-O 3.42Å; L11-I317 PolarHBondContact O-N 3.45Å; V18-I317 HydrophobicContact CB-CG1 4.5Å; V18-I317 HydrophobicContact CG1-CG1 4.06Å; V18-I317 HydrophobicContact CG2-CG1 3.97Å; I29-I317 HydrophobicContact CD1-CG2 4.23Å; S31-I317 VanDerWaalsContact CB-CD1 3.46Å; S31-I317 WeakPolarHBondContact OG-CD1 3.41Å; W41-I317 HydrophobicContact CD2-CD1 4.29Å; W41-I317 VanDerWaalsContact CE2-CD1 3.47Å; W41-I317 HydrophobicContact CH2-CD1 4.42Å; W41-I317 HydrophobicContact CZ2-CD1 3.55Å; V309-I317 HydrophobicContact CG1-CG2 3.63Å; V310-I317 CarbonylContact O-C 3.58Å; V310-I317 VanDerWaalsContact O-CA 3.27Å; V310-I317 WeakPolarHBondContact O-CA 3.46Å; V310-I317 WeakPolarHBondContact O-CG2 3.48Å |
| 318 | R | 97.2 | Very high | 94.8 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.015 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 138.2 | 176.5 | -65.7 | 177.2 | 179.2 | 78.1 | 1.8 | 109.6 | L7 T10 V310 D314 F320 E339 | L7-R318 HydrophobicContact CD1-CB 4.2Å; L7-R318 HydrophobicContact CD1-CG 4.46Å; T10-R318 HydrophobicContact CG2-CG 4.04Å; V310-R318 HydrophobicContact CG1-CB 3.77Å; V310-R318 WeakPolarHBondContact CG1-O 3.15Å; V310-R318 PolarHBondContact N-O 3.47Å; V310-R318 PolarHBondContact O-N 2.91Å; D314-R318 IonicContact OD1-NH1 2.77Å; D314-R318 PolarHBondContact OD1-NH1 3.15Å; D314-R318 IonicContact OD2-CZ 2.87Å; D314-R318 IonicContact OD2-NH1 3.82Å; D314-R318 PolarHBondContact OD2-NH1 3.23Å; D314-R318 IonicContact OD2-NH2 3.88Å; D314-R318 PolarHBondContact OD2-NH2 2.87Å; R318-F320 HydrophobicContact CB-CE2 3.7Å; R318-F320 HydrophobicContact CB-CZ 4.12Å; R318-E339 IonicContact NH2-OE1 3.85Å; R318-E339 PolarHBondContact NH2-OE1 2.98Å |
| 319 | I | 97.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 135.4 | 176.3 | -51.2 | -170.1 | 0 | 0 | 0 | 108.4 | R8 C9 L11 I29 I43 D307 I308 V309 | R8-I319 WeakPolarHBondContact CA-O 3.47Å; R8-I319 HydrophobicContact CB-CB 4.33Å; R8-I319 HydrophobicContact CB-CG2 4.21Å; R8-I319 WeakPolarHBondContact CB-O 3.47Å; R8-I319 HydrophobicContact CG-CB 4.47Å; R8-I319 HydrophobicContact CG-CG2 4.26Å; R8-I319 PolarHBondContact N-O 2.8Å; C9-I319 PolarHBondContact N-O 2.87Å; C9-I319 PolarHBondContact O-N 3.2Å; L11-I319 HydrophobicContact CD1-CD1 4.23Å; I29-I319 HydrophobicContact CD1-CD1 4.1Å; I43-I319 HydrophobicContact CD1-CD1 3.51Å; I43-I319 HydrophobicContact CG1-CD1 3.78Å; I43-I319 HydrophobicContact CG2-CD1 4.14Å; D307-I319 HydrophobicContact CB-CG2 4.12Å; I308-I319 CarbonylContact O-C 3.38Å; I308-I319 VanDerWaalsContact O-CA 3.23Å; I308-I319 WeakPolarHBondContact O-CA 3.33Å; V309-I319 HydrophobicContact CG2-CD1 4.18Å; V309-I319 HydrophobicContact CG2-CG1 4.09Å; V309-I319 HydrophobicContact CG2-CG2 4.29Å |
| 320 | F | 96.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.009 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 139.3 | 176.9 | -60.6 | -96.4 | 0 | 0 | 0 | 110.2 | Y5 K6 L7 I267 I290 L292 D307 I308 V310 R318 Y336 | Y5-F320 HydrophobicContact CD1-CB 4.23Å; K6-F320 CarbonylContact O-C 3.46Å; K6-F320 WeakPolarHBondContact O-CA 3.39Å; L7-F320 HydrophobicContact CB-CD1 4.35Å; L7-F320 HydrophobicContact CB-CE1 4.13Å; L7-F320 HydrophobicContact CD1-CE1 4.03Å; L7-F320 HydrophobicContact CD1-CZ 4.06Å; I267-F320 HydrophobicContact CD1-CD2 3.77Å; I267-F320 HydrophobicContact CD1-CE2 3.58Å; I267-F320 HydrophobicContact CD1-CZ 4.4Å; I290-F320 HydrophobicContact CD1-CD1 4.19Å; I290-F320 HydrophobicContact CD1-CG 4.29Å; I290-F320 HydrophobicContact CG2-CD1 3.9Å; I290-F320 HydrophobicContact CG2-CE1 3.44Å; I290-F320 VanDerWaalsContact CG2-CE1 3.44Å; I290-F320 HydrophobicContact CG2-CZ 3.8Å; L292-F320 HydrophobicContact CD2-CE2 3.85Å; L292-F320 HydrophobicContact CD2-CZ 3.68Å; D307-F320 CarbonylContact C-O 3.24Å; D307-F320 WeakPolarHBondContact CA-O 3.24Å; D307-F320 WeakPolarHBondContact CB-O 3.29Å; I308-F320 HydrophobicContact CB-CB 4.34Å; I308-F320 PolarHBondContact N-O 3.3Å; I308-F320 PolarHBondContact O-N 3.12Å; V310-F320 HydrophobicContact CG1-CE2 3.95Å; R318-F320 HydrophobicContact CB-CE2 3.7Å; R318-F320 HydrophobicContact CB-CZ 4.12Å; F320-Y336 HydrophobicContact CE1-CE1 4.42Å |
| 321 | S | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 141.8 | 177.3 | -166.9 | 0 | 0 | 0 | 0 | 111.1 | Y5 K6 D307 D323 R326 Q327 | Y5-S321 WeakPolarHBondContact CA-O 3.19Å; K6-S321 PolarHBondContact N-O 3.19Å; K6-S321 PolarHBondContact O-N 3.13Å; D307-S321 WeakPolarHBondContact OD1-CB 3.46Å; D307-S321 PolarHBondContact OD1-OG 3.48Å; S321-D323 PolarHBondContact OG-N 2.88Å; S321-D323 VanDerWaalsContact OG-N 3.15Å; S321-R326 PolarHBondContact OG-NE 3.37Å; S321-R326 PolarHBondContact OG-NH2 3.44Å; S321-Q327 WeakPolarHBondContact O-CG 3.38Å; S321-Q327 PolarHBondContact O-NE2 2.94Å |
| 322 | C | 93 | Very high | 93.5 | Very high | 23 Ų | 23 | 38.7 Ų | 38.7 | 16% | 0.155 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -89 | -8.7 | 168.1 | 60.6 | 0 | 0 | 0 | 0 | 112.5 | E3 V4 Y5 | E3-C322 HydrophobicContact CB-CB 3.97Å; V4-C322 WeakPolarHBondContact O-CA 3.39Å; Y5-C322 HydrophobicContact CD1-CB 4.04Å; Y5-C322 HydrophobicContact CD2-CB 4.16Å; Y5-C322 HydrophobicContact CE1-CB 4.01Å; Y5-C322 HydrophobicContact CE2-CB 4.15Å; Y5-C322 HydrophobicContact CG-CB 4.11Å |
| 323 | D | 91.5 | Very high | 93.3 | Very high | 53 Ų | 53 | 40.3 Ų | 40.3 | 28% | 0.283 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -83.7 | 115.2 | 173.5 | -172.7 | -26.7 | 0 | 0 | 0 | 110.3 | S321 T325 R326 Q327 | S321-D323 PolarHBondContact OG-N 2.88Å; S321-D323 VanDerWaalsContact OG-N 3.15Å; D323-T325 PolarHBondContact O-N 3.34Å; D323-T325 WeakPolarHBondContact OD1-CB 3.23Å; D323-T325 WeakPolarHBondContact OD1-CG2 3.19Å; D323-T325 PolarHBondContact OD1-N 3.45Å; D323-T325 PolarHBondContact OD1-OG1 2.88Å; D323-T325 PolarHBondContact OD2-OG1 2.82Å; D323-R326 VanDerWaalsContact CB-CZ 3.46Å; D323-R326 PolarHBondContact O-N 3.39Å; D323-R326 IonicContact OD2-CZ 3.64Å; D323-R326 IonicContact OD2-NH1 3.91Å; D323-R326 PolarHBondContact OD2-NH1 2.81Å; D323-R326 IonicContact OD2-NH2 3.23Å; D323-Q327 WeakPolarHBondContact O-CG 3.24Å; D323-Q327 PolarHBondContact O-N 3.22Å |
| 324 | S | 90 | Very high | 93.1 | Very high | 95 Ų | 95 | 44.7 Ų | 44.7 | 66% | 0.664 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -25.8 | 179.5 | 57.9 | 0 | 0 | 0 | 0 | 114.6 | R326 | S324-R326 VanDerWaalsContact C-N 3.33Š|
| 325 | T | 90.7 | Very high | 93 | Very high | 99 Ų | 99 | 48.4 Ų | 48.4 | 61% | 0.607 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -20.6 | 179.8 | 66 | 0 | 0 | 0 | 0 | 113.2 | D323 | D323-T325 PolarHBondContact O-N 3.34Å; D323-T325 WeakPolarHBondContact OD1-CB 3.23Å; D323-T325 WeakPolarHBondContact OD1-CG2 3.19Å; D323-T325 PolarHBondContact OD1-N 3.45Å; D323-T325 PolarHBondContact OD1-OG1 2.88Å; D323-T325 PolarHBondContact OD2-OG1 2.82Å |
| 326 | R | 92.4 | Very high | 92.8 | Very high | 29 Ų | 29 | 48.2 Ų | 48.2 | 11% | 0.109 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -12.5 | 179.5 | -64 | -164.4 | -60.7 | -80.3 | 0.5 | 113 | R8 D307 S321 D323 S324 | R8-R326 WeakPolarHBondContact CG-O 3.43Å; D307-R326 IonicContact OD1-CZ 3.96Å; D307-R326 IonicContact OD1-NE 3.03Å; D307-R326 PolarHBondContact OD1-NE 3.44Å; D307-R326 IonicContact OD1-NH2 2.61Å; D307-R326 PolarHBondContact OD1-NH2 3.45Å; D307-R326 IonicContact OD2-NE 3.52Å; D307-R326 PolarHBondContact OD2-NE 3.29Å; S321-R326 PolarHBondContact OG-NE 3.37Å; S321-R326 PolarHBondContact OG-NH2 3.44Å; D323-R326 VanDerWaalsContact CB-CZ 3.46Å; D323-R326 PolarHBondContact O-N 3.39Å; D323-R326 IonicContact OD2-CZ 3.64Å; D323-R326 IonicContact OD2-NH1 3.91Å; D323-R326 PolarHBondContact OD2-NH1 2.81Å; D323-R326 IonicContact OD2-NH2 3.23Å; S324-R326 VanDerWaalsContact C-N 3.33Å |
| 327 | Q | 93.6 | Very high | 92.5 | Very high | 37 Ų | 37 | 48.8 Ų | 48.8 | 17% | 0.173 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -64 | 148.7 | 177 | -71.8 | 174.9 | 2.5 | 0 | 0 | 111.2 | V4 K6 S321 D323 | V4-Q327 PolarHBondContact O-NE2 3.03Å; K6-Q327 HydrophobicContact CB-CG 3.97Å; S321-Q327 WeakPolarHBondContact O-CG 3.38Å; S321-Q327 PolarHBondContact O-NE2 2.94Å; D323-Q327 WeakPolarHBondContact O-CG 3.24Å; D323-Q327 PolarHBondContact O-N 3.22Å |
| 328 | A | 92.5 | Very high | 92.1 | Very high | 10 Ų | 10 | 52.2 Ų | 52.2 | 8% | 0.083 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 158.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L7 V332 L333 | L7-A328 VanDerWaalsContact O-CB 3.28Å; L7-A328 WeakPolarHBondContact O-CB 3.38Å; L7-A328 PolarHBondContact O-N 3.32Å; A328-V332 HydrophobicContact CB-CB 3.85Å; A328-V332 HydrophobicContact CB-CG1 3.68Å; A328-L333 HydrophobicContact CB-CD2 4.38Å; A328-L333 HydrophobicContact CB-CG 4.39Å |
| 329 | S | 92.4 | Very high | 91.7 | Very high | 63 Ų | 63 | 56.2 Ų | 56.2 | 44% | 0.441 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 160.4 | 175.9 | 72.2 | 0 | 0 | 0 | 0 | 111.8 | D331 V332 L333 | S329-D331 PolarHBondContact O-N 3.49Å; S329-D331 VanDerWaalsContact O-N 3.13Å; S329-V332 PolarHBondContact O-N 3.04Å; S329-V332 VanDerWaalsContact O-N 3.15Å; S329-L333 WeakPolarHBondContact O-CG 3.12Å; S329-L333 PolarHBondContact O-N 2.88Å |
| 330 | S | 90.5 | Very high | 91.2 | Very high | 73 Ų | 73 | 56.7 Ų | 56.7 | 51% | 0.51 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -56.8 | -31.2 | 178.8 | -177.2 | 0 | 0 | 0 | 0 | 113.1 | K334 | S330-K334 WeakPolarHBondContact O-CG 3.28Å; S330-K334 PolarHBondContact O-N 3.4Å; S330-K334 VanDerWaalsContact O-N 3.09Å |
| 331 | D | 89.5 | Confident | 90.4 | Very high | 108 Ų | 108 | 57.4 Ų | 57.4 | 58% | 0.578 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -73.1 | -41.1 | -179.5 | -63.1 | -30.8 | 0 | 0 | 0 | 111.3 | S329 K334 L335 | S329-D331 PolarHBondContact O-N 3.49Å; S329-D331 VanDerWaalsContact O-N 3.13Å; D331-K334 PolarHBondContact O-N 2.69Å; D331-L335 WeakPolarHBondContact O-CG 3.4Å; D331-L335 PolarHBondContact O-N 3.33Å |
| 332 | V | 90.6 | Very high | 89.6 | Confident | 61 Ų | 61 | 63.1 Ų | 63.1 | 37% | 0.37 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66 | -39.5 | 175.5 | 176.2 | 0 | 0 | 0 | 0 | 111 | L7 A328 S329 K334 L335 Y336 | L7-V332 HydrophobicContact CD2-CG1 4.18Å; A328-V332 HydrophobicContact CB-CB 3.85Å; A328-V332 HydrophobicContact CB-CG1 3.68Å; S329-V332 PolarHBondContact O-N 3.04Å; S329-V332 VanDerWaalsContact O-N 3.15Å; V332-K334 PolarHBondContact O-N 3.1Å; V332-L335 PolarHBondContact O-N 3.25Å; V332-Y336 PolarHBondContact O-N 2.84Å |
| 333 | L | 92.2 | Very high | 88.6 | Confident | 36 Ų | 36 | 64.5 Ų | 64.5 | 19% | 0.188 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 175 | -68.3 | 174.6 | 0 | 0 | 0 | 112.1 | K6 L7 A328 S329 Y336 E337 | K6-L333 HydrophobicContact CB-CD2 4.15Å; K6-L333 HydrophobicContact CD-CD1 4.21Å; L7-L333 HydrophobicContact CB-CD2 3.9Å; A328-L333 HydrophobicContact CB-CD2 4.38Å; A328-L333 HydrophobicContact CB-CG 4.39Å; S329-L333 WeakPolarHBondContact O-CG 3.12Å; S329-L333 PolarHBondContact O-N 2.88Å; L333-Y336 WeakPolarHBondContact O-CB 3.39Å; L333-Y336 PolarHBondContact O-N 3.49Å; L333-E337 WeakPolarHBondContact O-CG 3.23Å; L333-E337 PolarHBondContact O-N 3.36Å |
| 334 | K | 90 | Very high | 87.4 | Confident | 117 Ų | 117 | 69 Ų | 69 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 174.5 | -75.7 | 172 | -176.5 | 171.4 | 0 | 112.4 | S330 D331 V332 Y336 E337 T338 | S330-K334 WeakPolarHBondContact O-CG 3.28Å; S330-K334 PolarHBondContact O-N 3.4Å; S330-K334 VanDerWaalsContact O-N 3.09Å; D331-K334 PolarHBondContact O-N 2.69Å; V332-K334 PolarHBondContact O-N 3.1Å; K334-Y336 VanDerWaalsContact C-N 3.33Å; K334-E337 PolarHBondContact O-N 2.84Å; K334-T338 WeakPolarHBondContact O-CB 3.47Å; K334-T338 PolarHBondContact O-N 3.49Å; K334-T338 PolarHBondContact O-OG1 3.04Å |
| 335 | L | 90 | Very high | 86 | Confident | 121 Ų | 121 | 64.8 Ų | 64.8 | 63% | 0.634 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.3 | -42.7 | 174.9 | -72.1 | 172.2 | 0 | 0 | 0 | 111 | D331 V332 T338 E339 | D331-L335 WeakPolarHBondContact O-CG 3.4Å; D331-L335 PolarHBondContact O-N 3.33Å; V332-L335 PolarHBondContact O-N 3.25Å; L335-T338 WeakPolarHBondContact O-CB 3.49Å; L335-T338 PolarHBondContact O-N 3.44Å; L335-E339 WeakPolarHBondContact O-CB 3.39Å; L335-E339 PolarHBondContact O-N 3.43Å |
| 336 | Y | 92 | Very high | 84.2 | Confident | 19 Ų | 19 | 64.1 Ų | 64.1 | 8% | 0.075 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 174.9 | -176.9 | -105.3 | 0 | 0 | 0 | 112.7 | L7 L291 P293 F320 V332 L333 K334 T338 E339 L340 | L7-Y336 HydrophobicContact CD2-CD2 3.8Å; L7-Y336 HydrophobicContact CD2-CE2 4.48Å; L7-Y336 HydrophobicContact CD2-CG 3.9Å; L291-Y336 PolarHBondContact O-OH 3.22Å; P293-Y336 HydrophobicContact CG-CE2 4.05Å; F320-Y336 HydrophobicContact CE1-CE1 4.42Å; V332-Y336 PolarHBondContact O-N 2.84Å; L333-Y336 WeakPolarHBondContact O-CB 3.39Å; L333-Y336 PolarHBondContact O-N 3.49Å; K334-Y336 VanDerWaalsContact C-N 3.33Å; Y336-T338 VanDerWaalsContact C-N 3.28Å; Y336-T338 PolarHBondContact O-N 3.44Å; Y336-E339 PolarHBondContact O-N 3.34Å; Y336-L340 HydrophobicContact CD1-CD1 3.96Å; Y336-L340 HydrophobicContact CE1-CD1 3.54Å; Y336-L340 HydrophobicContact CE1-CG 4.2Å; Y336-L340 WeakPolarHBondContact O-CG 3.44Å; Y336-L340 PolarHBondContact O-N 3.01Å |
| 337 | E | 89.1 | Confident | 82.1 | Confident | 73 Ų | 73 | 64.1 Ų | 64.1 | 34% | 0.341 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.4 | -35.6 | 174.4 | -72.1 | -176 | 164.7 | 0 | 0 | 112.2 | L333 K334 A341 R397 | L333-E337 WeakPolarHBondContact O-CG 3.23Å; L333-E337 PolarHBondContact O-N 3.36Å; K334-E337 PolarHBondContact O-N 2.84Å; E337-A341 WeakPolarHBondContact O-CB 3.35Å; E337-A341 PolarHBondContact O-N 3.23Å; E337-R397 IonicContact OE1-CZ 3.6Å; E337-R397 IonicContact OE1-NH1 3.56Å; E337-R397 IonicContact OE1-NH2 3.79Å; E337-R397 PolarHBondContact OE1-NH2 2.85Å |
| 338 | T | 88 | Confident | 79.7 | Confident | 71 Ų | 71 | 65.9 Ų | 65.9 | 44% | 0.436 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.4 | -40.6 | 175.8 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | K334 L335 Y336 L340 A341 N342 | K334-T338 WeakPolarHBondContact O-CB 3.47Å; K334-T338 PolarHBondContact O-N 3.49Å; K334-T338 PolarHBondContact O-OG1 3.04Å; L335-T338 WeakPolarHBondContact O-CB 3.49Å; L335-T338 PolarHBondContact O-N 3.44Å; Y336-T338 VanDerWaalsContact C-N 3.28Å; Y336-T338 PolarHBondContact O-N 3.44Å; T338-L340 VanDerWaalsContact C-N 3.35Å; T338-A341 PolarHBondContact O-N 2.93Å; T338-N342 WeakPolarHBondContact O-CB 3.2Å; T338-N342 VanDerWaalsContact O-CG 3.25Å; T338-N342 PolarHBondContact O-N 3.35Å; T338-N342 PolarHBondContact O-ND2 2.97Å |
| 339 | E | 88.7 | Confident | 77.1 | Confident | 88 Ų | 88 | 71.2 Ų | 71.2 | 41% | 0.411 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 175.4 | -164.4 | -171.8 | 166.9 | 0 | 0 | 111 | P293 R318 L335 Y336 N342 F343 | P293-E339 HydrophobicContact CB-CB 4.3Å; P293-E339 HydrophobicContact CB-CG 3.64Å; P293-E339 HydrophobicContact CG-CB 4.41Å; P293-E339 HydrophobicContact CG-CG 3.85Å; P293-E339 VanDerWaalsContact CG-OE1 3.23Å; P293-E339 WeakPolarHBondContact CG-OE1 3.47Å; R318-E339 IonicContact NH2-OE1 3.85Å; R318-E339 PolarHBondContact NH2-OE1 2.98Å; L335-E339 WeakPolarHBondContact O-CB 3.39Å; L335-E339 PolarHBondContact O-N 3.43Å; Y336-E339 PolarHBondContact O-N 3.34Å; E339-N342 PolarHBondContact O-N 3.43Å; E339-F343 PolarHBondContact O-N 3.41Å |
| 340 | L | 86.3 | Confident | 74.4 | Confident | 12 Ų | 12 | 72.9 Ų | 72.9 | 6% | 0.063 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.6 | -51.7 | 171.8 | -72.1 | 174.3 | 0 | 0 | 0 | 111.2 | L291 L292 P293 Y336 T338 N342 F343 V401 | L291-L340 HydrophobicContact CB-CD1 4.36Å; L291-L340 HydrophobicContact CB-CD2 3.95Å; L292-L340 VanDerWaalsContact C-CD2 3.45Å; P293-L340 HydrophobicContact CB-CD2 4.12Å; P293-L340 HydrophobicContact CG-CD2 4.37Å; Y336-L340 HydrophobicContact CD1-CD1 3.96Å; Y336-L340 HydrophobicContact CE1-CD1 3.54Å; Y336-L340 HydrophobicContact CE1-CG 4.2Å; Y336-L340 WeakPolarHBondContact O-CG 3.44Å; Y336-L340 PolarHBondContact O-N 3.01Å; T338-L340 VanDerWaalsContact C-N 3.35Å; L340-N342 PolarHBondContact O-N 2.81Å; L340-N342 VanDerWaalsContact O-N 3.17Å; L340-F343 WeakPolarHBondContact O-CB 3.35Å; L340-F343 PolarHBondContact O-N 2.82Å; L340-V401 CarbonylContact O-C 3.54Å |
| 341 | A | 80.2 | Confident | 71.4 | Confident | 17 Ų | 17 | 75 Ų | 75 | 14% | 0.14 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.8 | -22.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | E337 T338 K400 G402 | E337-A341 WeakPolarHBondContact O-CB 3.35Å; E337-A341 PolarHBondContact O-N 3.23Å; T338-A341 PolarHBondContact O-N 2.93Å; A341-K400 HydrophobicContact CB-CB 4.21Å; A341-K400 HydrophobicContact CB-CD 4.1Å; A341-K400 HydrophobicContact CB-CG 3.93Å; A341-G402 VanDerWaalsContact O-CA 3.27Å; A341-G402 WeakPolarHBondContact O-CA 3.46Å |
| 342 | N | 77.7 | Confident | 68.5 | Low | 120 Ų | 120 | 73 Ų | 73 | 64% | 0.642 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -6.7 | 177.6 | -69.7 | -21.5 | 0 | 0 | 0 | 113.1 | T338 E339 L340 K344 | T338-N342 WeakPolarHBondContact O-CB 3.2Å; T338-N342 VanDerWaalsContact O-CG 3.25Å; T338-N342 PolarHBondContact O-N 3.35Å; T338-N342 PolarHBondContact O-ND2 2.97Å; E339-N342 PolarHBondContact O-N 3.43Å; L340-N342 PolarHBondContact O-N 2.81Å; L340-N342 VanDerWaalsContact O-N 3.17Å; N342-K344 PolarHBondContact O-N 2.74Å |
| 343 | F | 72.7 | Confident | 65.4 | Low | 53 Ų | 53 | 77.5 Ų | 77.5 | 23% | 0.232 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -75.6 | 126.6 | -179.7 | -161.3 | -81.1 | 0 | 0 | 0 | 110.1 | P293 E339 L340 V345 G402 | P293-F343 VanDerWaalsContact C-CE2 3.47Å; P293-F343 HydrophobicContact CB-CD2 4.19Å; P293-F343 VanDerWaalsContact O-CE2 3.32Å; P293-F343 WeakPolarHBondContact O-CE2 3.14Å; E339-F343 PolarHBondContact O-N 3.41Å; L340-F343 WeakPolarHBondContact O-CB 3.35Å; L340-F343 PolarHBondContact O-N 2.82Å; F343-V345 PolarHBondContact O-N 3.15Å; F343-G402 WeakPolarHBondContact O-CA 3.45Å |
| 344 | K | 67 | Low | 62.5 | Low | 147 Ų | 147 | 79.1 Ų | 79.1 | 64% | 0.639 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 122 | 178.2 | -68.3 | -174.8 | 178.2 | -177.8 | 0 | 110.1 | N342 V405 | N342-K344 PolarHBondContact O-N 2.74Å; K344-V405 HydrophobicContact CB-CG2 4.27Å; K344-V405 HydrophobicContact CD-CG1 4.42Å |
| 345 | V | 59.9 | Low | 60.1 | Low | 6 Ų | 6 | 80.4 Ų | 80.4 | 4% | 0.036 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 122.9 | -177.6 | -173.7 | 0 | 0 | 0 | 0 | 109.2 | R265 F343 V347 V401 D403 V404 V405 | R265-V345 VanDerWaalsContact NH2-CG1 3.29Å; F343-V345 PolarHBondContact O-N 3.15Å; V345-V347 HydrophobicContact CG1-CG2 4.22Å; V345-V401 HydrophobicContact CG2-CG1 3.95Å; V345-V401 WeakPolarHBondContact CG2-O 3.31Å; V345-D403 PolarHBondContact N-O 2.84Å; V345-V404 WeakPolarHBondContact O-CA 3.41Å; V345-V405 PolarHBondContact O-N 2.8Å |
| 346 | T | 53.7 | Low | 58.2 | Low | 86 Ų | 86 | 78 Ų | 78 | 53% | 0.528 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 116.4 | 160.7 | -43.6 | 0 | 0 | 0 | 0 | 107.4 | ||
| 347 | V | 48.5 | Very low | 56.3 | Low | 28 Ų | 28 | 80 Ų | 80 | 17% | 0.17 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -82 | 130.5 | 176.9 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | V345 D349 V379 V404 | V345-V347 HydrophobicContact CG1-CG2 4.22Å; V347-D349 PolarHBondContact O-N 3.12Å; V347-V379 HydrophobicContact CG2-CG2 4.16Å; V347-V404 HydrophobicContact CB-CG1 4.2Å; V347-V404 HydrophobicContact CG2-CB 4.17Å; V347-V404 HydrophobicContact CG2-CG1 3.54Å; V347-V404 HydrophobicContact CG2-CG2 3.57Å |
| 348 | P | 42.8 | Very low | 54.7 | Low | 75 Ų | 75 | 79.1 Ų | 79.1 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 132.5 | 174.3 | -19 | 30.1 | 0 | 0 | 0 | 111.2 | S350 | P348-S350 VanDerWaalsContact C-N 3.26Å; P348-S350 PolarHBondContact O-N 2.92Å; P348-S350 PolarHBondContact O-OG 2.97Å |
| 349 | D | 36.6 | Very low | 53.2 | Low | 122 Ų | 122 | 82.5 Ų | 82.5 | 65% | 0.652 | 50% | 0.496 | S | S | * | . | trans | -61.8 | 85 | 173.1 | -72.5 | -18.6 | 0 | 0 | 0 | 110.2 | V347 S351 S407 | V347-D349 PolarHBondContact O-N 3.12Å; D349-S351 PolarHBondContact O-N 2.85Å; D349-S407 WeakPolarHBondContact OD1-CB 3.3Å; D349-S407 PolarHBondContact OD1-OG 2.72Å | ||
| 350 | S | 35.5 | Very low | 52.3 | Low | 98 Ų | 98 | 84.8 Ų | 84.8 | 69% | 0.685 | 51% | 0.512 | S | S | * | . | trans | -90.3 | 103.2 | 172.7 | 34.8 | 0 | 0 | 0 | 0 | 107.8 | P348 | P348-S350 VanDerWaalsContact C-N 3.26Å; P348-S350 PolarHBondContact O-N 2.92Å; P348-S350 PolarHBondContact O-OG 2.97Å | ||
| 351 | S | 29.5 | Very low | 51.6 | Low | 117 Ų | 117 | 85.7 Ų | 85.7 | 82% | 0.818 | 52% | 0.516 | S | S | * | . | S | Bend | trans | 68.5 | 93.1 | 166.8 | 60 | 0 | 0 | 0 | 0 | 118 | D349 | D349-S351 PolarHBondContact O-N 2.85Š|
| 352 | G | 28.4 | Very low | 51.7 | Low | 67 Ų | 67 | 87.4 Ų | 87.4 | 69% | 0.691 | 53% | 0.526 | S | S | * | . | S | Bend | trans | 76.6 | 103.9 | 137.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 353 | T | 24.7 | Very low | 51.9 | Low | 154 Ų | 154 | 82.5 Ų | 82.5 | 95% | 0.945 | 50% | 0.504 | S | S | * | . | S | Bend | trans | 52.1 | 105.5 | 151.8 | 40.7 | 0 | 0 | 0 | 0 | 117.5 | ||
| 354 | G | 30.4 | Very low | 52.4 | Low | 71 Ų | 71 | 83.2 Ų | 83.2 | 73% | 0.732 | 51% | 0.512 | S | S | * | . | trans | 136.3 | 108.7 | 163 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 355 | D | 40.1 | Very low | 53.4 | Low | 144 Ų | 144 | 82.2 Ų | 82.2 | 77% | 0.77 | 51% | 0.51 | S | S | * | . | trans | -33.7 | 148.4 | 166.7 | -68.9 | -47.9 | 0 | 0 | 0 | 110.2 | V357 | D355-V357 HydrophobicContact CB-CG2 4.05Å; D355-V357 WeakPolarHBondContact O-CG2 3.28Å; D355-V357 PolarHBondContact O-N 3.04Å | ||
| 356 | L | 51 | Low | 54.5 | Low | 69 Ų | 69 | 82.8 Ų | 82.8 | 36% | 0.361 | 52% | 0.516 | S | S | . | . | trans | -59.7 | 72.5 | 162.9 | -74 | 156.1 | 0 | 0 | 0 | 108.4 | L358 L361 V379 V404 | L356-L358 PolarHBondContact O-N 3.47Å; L356-L361 HydrophobicContact CD2-CD2 4.04Å; L356-V379 HydrophobicContact CD2-CG1 4.46Å; L356-V404 HydrophobicContact CD1-CG1 3.58Å | ||
| 357 | V | 50.8 | Low | 56 | Low | 63 Ų | 63 | 80.4 Ų | 80.4 | 38% | 0.382 | 50% | 0.499 | S | S | . | . | trans | -69.5 | 106.1 | 177.4 | 176 | 0 | 0 | 0 | 0 | 102.8 | D355 N359 N360 | D355-V357 HydrophobicContact CB-CG2 4.05Å; D355-V357 WeakPolarHBondContact O-CG2 3.28Å; D355-V357 PolarHBondContact O-N 3.04Å; V357-N359 HydrophobicContact CG1-CB 4.09Å; V357-N359 PolarHBondContact O-N 2.88Å; V357-N360 PolarHBondContact O-N 2.84Å | ||
| 358 | L | 55.6 | Low | 57.8 | Low | 54 Ų | 54 | 84.5 Ų | 84.5 | 28% | 0.283 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -47.6 | -30.2 | -175.2 | -137.7 | 104.6 | 0 | 0 | 0 | 112.9 | L356 N360 L361 N381 G384 S386 | L356-L358 PolarHBondContact O-N 3.47Å; L358-N360 VanDerWaalsContact C-N 3.3Å; L358-N360 PolarHBondContact O-N 3.23Å; L358-L361 PolarHBondContact O-N 2.82Å; L358-N381 WeakPolarHBondContact CD2-ND2 3.38Å; L358-N381 PolarHBondContact O-ND2 3.26Å; L358-G384 VanDerWaalsContact CD2-CA 3.48Å; L358-G384 WeakPolarHBondContact CD2-O 3.43Å; L358-S386 WeakPolarHBondContact CD1-OG 3.2Å |
| 359 | N | 56.9 | Low | 59.8 | Low | 141 Ų | 141 | 88.3 Ų | 88.3 | 75% | 0.754 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -72.7 | -15.8 | -179.8 | -57.9 | -13.1 | 0 | 0 | 0 | 114.5 | V357 | V357-N359 HydrophobicContact CG1-CB 4.09Å; V357-N359 PolarHBondContact O-N 2.88Å |
| 360 | N | 69.2 | Low | 62.3 | Low | 137 Ų | 137 | 87.1 Ų | 87.1 | 73% | 0.733 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -101.8 | -8.9 | 179.2 | -70.1 | -12.5 | 0 | 0 | 0 | 112.9 | V357 L358 | V357-N360 PolarHBondContact O-N 2.84Å; L358-N360 VanDerWaalsContact C-N 3.3Å; L358-N360 PolarHBondContact O-N 3.23Å |
| 361 | L | 73.6 | Confident | 64.5 | Low | 30 Ų | 30 | 83.2 Ų | 83.2 | 16% | 0.157 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -73.9 | 138.7 | 175.5 | -67.4 | 174.1 | 0 | 0 | 0 | 109.4 | L356 L358 V379 N381 S386 | L356-L361 HydrophobicContact CD2-CD2 4.04Å; L358-L361 PolarHBondContact O-N 2.82Å; L361-V379 HydrophobicContact CD1-CG1 3.85Å; L361-V379 HydrophobicContact CD2-CB 4.08Å; L361-V379 HydrophobicContact CD2-CG1 3.88Å; L361-N381 HydrophobicContact CB-CB 4.03Å; L361-S386 VanDerWaalsContact CD1-OG 3.24Å; L361-S386 WeakPolarHBondContact CD1-OG 3.28Å |
| 362 | P | 80.6 | Confident | 67.1 | Low | 54 Ų | 54 | 87.1 Ų | 87.1 | 35% | 0.351 | 51% | 0.51 | S | S | . | . | trans | -58.8 | 147.4 | 172.7 | 22.6 | -30 | 0 | 0 | 0 | 110.8 | A366 I380 N381 | P362-A366 HydrophobicContact CB-CB 3.58Å; P362-A366 HydrophobicContact CG-CB 4.16Å; P362-I380 HydrophobicContact CG-CG2 4.27Å; P362-I380 CarbonylContact O-C 3.5Å; P362-I380 WeakPolarHBondContact O-CA 3.4Å; P362-I380 VanDerWaalsContact O-CB 3.3Å; P362-I380 WeakPolarHBondContact O-CB 3.4Å; P362-N381 PolarHBondContact O-N 3.17Å | ||
| 363 | G | 82.1 | Confident | 69.7 | Low | 17 Ų | 17 | 87.2 Ų | 87.2 | 18% | 0.175 | 50% | 0.499 | C | S | . | . | B | Isolated β-bridge | trans | -75.7 | -178 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E365 A366 | G363-E365 WeakPolarHBondContact CA-OE1 3.4Å; G363-E365 WeakPolarHBondContact CA-OE2 3.42Å; G363-E365 PolarHBondContact N-OE1 2.82Å; G363-E365 PolarHBondContact O-N 3.01Å; G363-A366 PolarHBondContact O-N 3.01Å |
| 364 | V | 84.3 | Confident | 72.7 | Confident | 68 Ų | 68 | 80.8 Ų | 80.8 | 41% | 0.412 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -55.3 | -24.8 | 179.1 | -176.6 | 0 | 0 | 0 | 0 | 112.4 | A366 L367 I380 D382 | V364-A366 PolarHBondContact O-N 3.25Å; V364-L367 HydrophobicContact CG1-CD1 4.44Å; V364-L367 WeakPolarHBondContact O-CB 3.42Å; V364-L367 PolarHBondContact O-N 3.26Å; V364-L367 VanDerWaalsContact O-N 3.16Å; V364-I380 HydrophobicContact CB-CD1 4.29Å; V364-I380 HydrophobicContact CG2-CD1 3.92Å; V364-D382 HydrophobicContact CG2-CB 4.4Å; V364-D382 WeakPolarHBondContact CG2-OD1 3.32Å |
| 365 | E | 86.5 | Confident | 74.8 | Confident | 125 Ų | 125 | 77.9 Ų | 77.9 | 58% | 0.584 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -60.1 | -24.9 | 176.1 | 71.6 | -72.9 | 167.8 | 0 | 0 | 114 | G363 L367 T368 | G363-E365 WeakPolarHBondContact CA-OE1 3.4Å; G363-E365 WeakPolarHBondContact CA-OE2 3.42Å; G363-E365 PolarHBondContact N-OE1 2.82Å; G363-E365 PolarHBondContact O-N 3.01Å; E365-L367 PolarHBondContact O-N 2.97Å; E365-T368 WeakPolarHBondContact O-CB 3.35Å; E365-T368 WeakPolarHBondContact O-CG2 3.2Å; E365-T368 PolarHBondContact O-N 3.34Å; E365-T368 VanDerWaalsContact O-N 3.13Å; E365-T368 PolarHBondContact O-OG1 2.99Å |
| 366 | A | 83.9 | Confident | 76.7 | Confident | 19 Ų | 19 | 73.6 Ų | 73.6 | 16% | 0.157 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -66.8 | -25 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | P362 G363 V364 T368 K369 M378 I380 | P362-A366 HydrophobicContact CB-CB 3.58Å; P362-A366 HydrophobicContact CG-CB 4.16Å; G363-A366 PolarHBondContact O-N 3.01Å; V364-A366 PolarHBondContact O-N 3.25Å; A366-T368 PolarHBondContact O-N 2.57Å; A366-K369 PolarHBondContact O-N 3.11Å; A366-M378 HydrophobicContact CB-SD 3.71Å; A366-I380 HydrophobicContact CB-CG2 4.5Å |
| 367 | L | 85.1 | Confident | 78.1 | Confident | 35 Ų | 35 | 74 Ų | 74 | 18% | 0.183 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -69.2 | -10.2 | 175.4 | -56.3 | -178.3 | 0 | 0 | 0 | 112.9 | V364 E365 K369 M378 I380 Y389 W398 | V364-L367 HydrophobicContact CG1-CD1 4.44Å; V364-L367 WeakPolarHBondContact O-CB 3.42Å; V364-L367 PolarHBondContact O-N 3.26Å; V364-L367 VanDerWaalsContact O-N 3.16Å; E365-L367 PolarHBondContact O-N 2.97Å; L367-K369 VanDerWaalsContact C-N 3.26Å; L367-K369 PolarHBondContact O-N 2.86Å; L367-M378 HydrophobicContact CD2-SD 4.12Å; L367-I380 HydrophobicContact CD1-CD1 3.68Å; L367-I380 HydrophobicContact CD2-CG2 3.99Å; L367-I380 HydrophobicContact CG-CD1 4.06Å; L367-I380 HydrophobicContact CG-CG2 4.28Å; L367-Y389 HydrophobicContact CD1-CD1 3.82Å; L367-Y389 HydrophobicContact CD1-CD2 4.11Å; L367-Y389 HydrophobicContact CD1-CE1 3.57Å; L367-Y389 HydrophobicContact CD1-CE2 3.91Å; L367-Y389 HydrophobicContact CD1-CG 4.08Å; L367-Y389 HydrophobicContact CD2-CD1 4.14Å; L367-Y389 HydrophobicContact CD2-CD2 4.09Å; L367-Y389 HydrophobicContact CD2-CG 3.8Å; L367-W398 HydrophobicContact CB-CG 4.33Å; L367-W398 HydrophobicContact CD2-CB 3.97Å; L367-W398 HydrophobicContact CD2-CD2 3.97Å; L367-W398 HydrophobicContact CD2-CE3 4.49Å; L367-W398 HydrophobicContact CD2-CG 3.71Å; L367-W398 PolarHBondContact O-NE1 3.18Å |
| 368 | T | 85.4 | Confident | 79.6 | Confident | 115 Ų | 115 | 72.9 Ų | 72.9 | 71% | 0.706 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -72.9 | -19.1 | 173.8 | 64.3 | 0 | 0 | 0 | 0 | 113 | E365 A366 | E365-T368 WeakPolarHBondContact O-CB 3.35Å; E365-T368 WeakPolarHBondContact O-CG2 3.2Å; E365-T368 PolarHBondContact O-N 3.34Å; E365-T368 VanDerWaalsContact O-N 3.13Å; E365-T368 PolarHBondContact O-OG1 2.99Å; A366-T368 PolarHBondContact O-N 2.57Å |
| 369 | K | 86.5 | Confident | 80.9 | Confident | 155 Ų | 155 | 71.4 Ų | 71.4 | 67% | 0.674 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -88.4 | 124.1 | 176.5 | -68.2 | 179.3 | -176.9 | 171.6 | 0 | 109.6 | A366 L367 W398 | A366-K369 PolarHBondContact O-N 3.11Å; L367-K369 VanDerWaalsContact C-N 3.26Å; L367-K369 PolarHBondContact O-N 2.86Å; K369-W398 PolarHBondContact O-NE1 3.34Å |
| 370 | P | 87.4 | Confident | 82.1 | Confident | 97 Ų | 97 | 64.7 Ų | 64.7 | 63% | 0.63 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 143.8 | 173.2 | -26.4 | 35.7 | 0 | 0 | 0 | 112.3 | W391 | P370-W391 VanDerWaalsContact CA-CH2 3.45Å; P370-W391 HydrophobicContact CB-CH2 3.55Å; P370-W391 HydrophobicContact CB-CZ2 3.7Å; P370-W391 HydrophobicContact CB-CZ3 4.28Å; P370-W391 HydrophobicContact CG-CH2 4.32Å |
| 371 | G | 83.2 | Confident | 82.8 | Confident | 15 Ų | 15 | 59.8 Ų | 59.8 | 16% | 0.155 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 158.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q376 W391 | G371-Q376 VanDerWaalsContact CA-OE1 3.25Å; G371-W391 VanDerWaalsContact N-CE2 3.29Å; G371-W391 VanDerWaalsContact N-CE3 3.33Å |
| 372 | K | 83.5 | Confident | 83 | Confident | 200 Ų | 200 | 60.4 Ų | 60.4 | 87% | 0.87 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -86.1 | -25.8 | -178.3 | -63.7 | -179.5 | -179.7 | 176.6 | 0 | 113.1 | ||
| 373 | S | 83.9 | Confident | 82.6 | Confident | 68 Ų | 68 | 65.6 Ų | 65.6 | 48% | 0.476 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -154.1 | 154.2 | -175.9 | 58.5 | 0 | 0 | 0 | 0 | 111.3 | G375 Q376 | S373-G375 PolarHBondContact O-N 3.36Å; S373-Q376 WeakPolarHBondContact O-CB 3.38Å; S373-Q376 PolarHBondContact O-N 3.15Å |
| 374 | E | 87.2 | Confident | 81.9 | Confident | 20 Ų | 20 | 66.9 Ų | 66.9 | 9% | 0.093 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 132.7 | 175.7 | -179.1 | 60.5 | -166.1 | 0 | 0 | 111.9 | T289 Q376 S393 | T289-E374 PolarHBondContact N-OE1 2.89Å; E374-Q376 VanDerWaalsContact C-N 3.27Å; E374-Q376 PolarHBondContact O-N 3.19Å; E374-S393 WeakPolarHBondContact CA-OG 3.35Å; E374-S393 PolarHBondContact N-OG 2.82Å; E374-S393 VanDerWaalsContact OE2-CB 3.27Å; E374-S393 WeakPolarHBondContact OE2-CB 3.34Å; E374-S393 PolarHBondContact OE2-N 2.97Å; E374-S393 PolarHBondContact OE2-OG 3.06Å |
| 375 | G | 74.4 | Confident | 81.1 | Confident | 10 Ų | 10 | 66.8 Ų | 66.8 | 10% | 0.103 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 8.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S373 I377 W391 | S373-G375 PolarHBondContact O-N 3.36Å; G375-I377 PolarHBondContact O-N 3.45Å; G375-W391 PolarHBondContact N-O 3.49Å |
| 376 | Q | 79.6 | Confident | 80.5 | Confident | 54 Ų | 54 | 61.4 Ų | 61.4 | 25% | 0.252 | 35% | 0.347 | S | S | . | . | trans | -56.6 | 130.9 | 172.9 | -179.6 | -174.6 | -13 | 0 | 0 | 109.8 | G371 S373 E374 Q390 W391 W398 | G371-Q376 VanDerWaalsContact CA-OE1 3.25Å; S373-Q376 WeakPolarHBondContact O-CB 3.38Å; S373-Q376 PolarHBondContact O-N 3.15Å; E374-Q376 VanDerWaalsContact C-N 3.27Å; E374-Q376 PolarHBondContact O-N 3.19Å; Q376-Q390 CarbonylContact O-C 3.54Å; Q376-Q390 WeakPolarHBondContact O-CA 3.33Å; Q376-W391 HydrophobicContact CB-CB 4.08Å; Q376-W391 PolarHBondContact O-N 3.04Å; Q376-W398 HydrophobicContact CB-CH2 4.43Å; Q376-W398 HydrophobicContact CG-CH2 4.07Å; Q376-W398 VanDerWaalsContact O-CZ3 3.3Å; Q376-W398 WeakPolarHBondContact O-CZ3 3.35Å | ||
| 377 | I | 81.4 | Confident | 80.2 | Confident | 78 Ų | 78 | 60.6 Ų | 60.6 | 40% | 0.4 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 142.7 | 176.1 | -58.6 | -61.8 | 0 | 0 | 0 | 110.6 | G375 C388 Y389 Q390 | G375-I377 PolarHBondContact O-N 3.45Å; I377-C388 WeakPolarHBondContact CG2-SG 3.39Å; I377-Y389 CarbonylContact C-O 3.55Å; I377-Y389 WeakPolarHBondContact CA-O 3.47Å; I377-Q390 HydrophobicContact CD1-CB 3.79Å; I377-Q390 HydrophobicContact CD1-CG 3.9Å |
| 378 | M | 80.7 | Confident | 80.1 | Confident | 39 Ų | 39 | 59 Ų | 59 | 19% | 0.192 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 130.8 | 170.1 | -174.5 | 178.9 | -66.4 | 0 | 0 | 109.2 | A366 L367 I380 Y389 W398 | A366-M378 HydrophobicContact CB-SD 3.71Å; L367-M378 HydrophobicContact CD2-SD 4.12Å; M378-I380 HydrophobicContact CG-CG2 3.97Å; M378-I380 HydrophobicContact SD-CG2 3.96Å; M378-Y389 PolarHBondContact N-O 3.02Å; M378-Y389 PolarHBondContact O-N 3.35Å; M378-W398 HydrophobicContact CB-CE3 4.24Å; M378-W398 HydrophobicContact CB-CH2 3.79Å; M378-W398 HydrophobicContact CB-CZ3 3.6Å; M378-W398 HydrophobicContact CE-CH2 3.75Å; M378-W398 HydrophobicContact CE-CZ2 3.58Å; M378-W398 HydrophobicContact SD-CZ2 4.45Å |
| 379 | V | 82.7 | Confident | 80.1 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 13% | 0.133 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 125.5 | 170.4 | -175.2 | 0 | 0 | 0 | 0 | 107.7 | V347 L356 L361 V387 V404 | V347-V379 HydrophobicContact CG2-CG2 4.16Å; L356-V379 HydrophobicContact CD2-CG1 4.46Å; L361-V379 HydrophobicContact CD1-CG1 3.85Å; L361-V379 HydrophobicContact CD2-CB 4.08Å; L361-V379 HydrophobicContact CD2-CG1 3.88Å; V379-V387 WeakPolarHBondContact CA-O 3.49Å; V379-V404 HydrophobicContact CG1-CB 4.35Å; V379-V404 HydrophobicContact CG1-CG2 3.75Å; V379-V404 HydrophobicContact CG2-CG2 3.99Å |
| 380 | I | 83.6 | Confident | 80 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 161 | 176.7 | 65 | 157.8 | 0 | 0 | 0 | 110.4 | P362 V364 A366 L367 M378 D382 S386 V387 Y389 | P362-I380 HydrophobicContact CG-CG2 4.27Å; P362-I380 CarbonylContact O-C 3.5Å; P362-I380 WeakPolarHBondContact O-CA 3.4Å; P362-I380 VanDerWaalsContact O-CB 3.3Å; P362-I380 WeakPolarHBondContact O-CB 3.4Å; V364-I380 HydrophobicContact CB-CD1 4.29Å; V364-I380 HydrophobicContact CG2-CD1 3.92Å; A366-I380 HydrophobicContact CB-CG2 4.5Å; L367-I380 HydrophobicContact CD1-CD1 3.68Å; L367-I380 HydrophobicContact CD2-CG2 3.99Å; L367-I380 HydrophobicContact CG-CD1 4.06Å; L367-I380 HydrophobicContact CG-CG2 4.28Å; M378-I380 HydrophobicContact CG-CG2 3.97Å; M378-I380 HydrophobicContact SD-CG2 3.96Å; I380-D382 HydrophobicContact CD1-CB 4.19Å; I380-D382 HydrophobicContact CG1-CB 4.49Å; I380-S386 WeakPolarHBondContact O-CA 3.15Å; I380-V387 PolarHBondContact N-O 2.89Å; I380-V387 PolarHBondContact O-N 3.44Å; I380-Y389 HydrophobicContact CD1-CD2 4.07Å; I380-Y389 HydrophobicContact CD1-CE2 3.52Å; I380-Y389 HydrophobicContact CG1-CD2 3.8Å; I380-Y389 HydrophobicContact CG1-CE2 3.59Å |
| 381 | N | 82 | Confident | 80.1 | Confident | 35 Ų | 35 | 44.2 Ų | 44.2 | 19% | 0.187 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 109.7 | 162.9 | -175.2 | -15.4 | 0 | 0 | 0 | 108.4 | L358 L361 P362 G384 | L358-N381 WeakPolarHBondContact CD2-ND2 3.38Å; L358-N381 PolarHBondContact O-ND2 3.26Å; L361-N381 HydrophobicContact CB-CB 4.03Å; P362-N381 PolarHBondContact O-N 3.17Å; N381-G384 WeakPolarHBondContact OD1-CA 3.03Å; N381-G384 PolarHBondContact OD1-N 3.34Å |
| 382 | D | 78.5 | Confident | 80.3 | Confident | 42 Ų | 42 | 44 Ų | 44 | 23% | 0.225 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 98.4 | 175.6 | -171.3 | 24.8 | 0 | 0 | 0 | 107.5 | V364 I380 G384 C385 V387 K400 | V364-D382 HydrophobicContact CG2-CB 4.4Å; V364-D382 WeakPolarHBondContact CG2-OD1 3.32Å; I380-D382 HydrophobicContact CD1-CB 4.19Å; I380-D382 HydrophobicContact CG1-CB 4.49Å; D382-G384 VanDerWaalsContact C-N 3.3Å; D382-G384 PolarHBondContact O-N 2.88Å; D382-G384 VanDerWaalsContact O-N 3.15Å; D382-C385 PolarHBondContact N-O 3.04Å; D382-C385 WeakPolarHBondContact O-CB 3.36Å; D382-C385 PolarHBondContact O-N 3.33Å; D382-V387 HydrophobicContact CB-CB 4.18Å; D382-V387 HydrophobicContact CB-CG2 3.7Å; D382-K400 IonicContact OD2-NZ 2.92Å |
| 383 | D | 72.4 | Confident | 80.4 | Confident | 164 Ų | 164 | 36.4 Ų | 36.4 | 88% | 0.877 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 40.9 | 179.2 | -73.7 | -18.2 | 0 | 0 | 0 | 115.7 | ||
| 384 | G | 67.3 | Low | 80.3 | Confident | 43 Ų | 43 | 36.2 Ų | 36.2 | 44% | 0.443 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | 1.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L358 N381 D382 | L358-G384 VanDerWaalsContact CD2-CA 3.48Å; L358-G384 WeakPolarHBondContact CD2-O 3.43Å; N381-G384 WeakPolarHBondContact OD1-CA 3.03Å; N381-G384 PolarHBondContact OD1-N 3.34Å; D382-G384 VanDerWaalsContact C-N 3.3Å; D382-G384 PolarHBondContact O-N 2.88Å; D382-G384 VanDerWaalsContact O-N 3.15Å |
| 385 | C | 68.1 | Low | 80.1 | Confident | 67 Ų | 67 | 37.8 Ų | 37.8 | 45% | 0.453 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 134 | 173.1 | -67.8 | 0 | 0 | 0 | 0 | 110.5 | D382 V387 | D382-C385 PolarHBondContact N-O 3.04Å; D382-C385 WeakPolarHBondContact O-CB 3.36Å; D382-C385 PolarHBondContact O-N 3.33Å; C385-V387 HydrophobicContact CB-CG2 4.13Å; C385-V387 PolarHBondContact O-N 3.24Å |
| 386 | S | 72.7 | Confident | 80.7 | Confident | 12 Ų | 12 | 42.5 Ų | 42.5 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 115.7 | 168.6 | -61.5 | 0 | 0 | 0 | 0 | 108.4 | L358 L361 I380 V404 | L358-S386 WeakPolarHBondContact CD1-OG 3.2Å; L361-S386 VanDerWaalsContact CD1-OG 3.24Å; L361-S386 WeakPolarHBondContact CD1-OG 3.28Å; I380-S386 WeakPolarHBondContact O-CA 3.15Å; S386-V404 PolarHBondContact O-N 2.71Å |
| 387 | V | 78.7 | Confident | 81.2 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.5 | -177.6 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | V379 I380 D382 C385 Y389 K400 | V379-V387 WeakPolarHBondContact CA-O 3.49Å; I380-V387 PolarHBondContact N-O 2.89Å; I380-V387 PolarHBondContact O-N 3.44Å; D382-V387 HydrophobicContact CB-CB 4.18Å; D382-V387 HydrophobicContact CB-CG2 3.7Å; C385-V387 HydrophobicContact CB-CG2 4.13Å; C385-V387 PolarHBondContact O-N 3.24Å; V387-Y389 HydrophobicContact CB-CE2 3.97Å; V387-Y389 HydrophobicContact CG1-CD2 4.07Å; V387-Y389 HydrophobicContact CG1-CE2 3.45Å; V387-Y389 VanDerWaalsContact CG1-CE2 3.45Å; V387-K400 HydrophobicContact CG1-CD 3.86Å; V387-K400 VanDerWaalsContact CG1-CE 3.42Å; V387-K400 HydrophobicContact CG1-CG 3.8Å |
| 388 | C | 82.3 | Confident | 81.5 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.02 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 133.3 | 178.9 | -177.2 | 0 | 0 | 0 | 0 | 111 | I377 V401 G402 V404 | I377-C388 WeakPolarHBondContact CG2-SG 3.39Å; C388-V401 HydrophobicContact CB-CB 4.3Å; C388-V401 WeakPolarHBondContact O-CB 3.24Å; C388-V401 PolarHBondContact O-N 2.66Å; C388-G402 PolarHBondContact N-O 3.34Å; C388-G402 PolarHBondContact O-N 3.31Å; C388-V404 HydrophobicContact CB-CG2 3.58Å |
| 389 | Y | 85.3 | Confident | 81.6 | Confident | 28 Ų | 28 | 41.1 Ų | 41.1 | 11% | 0.11 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 146.2 | 174.2 | -73.6 | -101.6 | 0 | 0 | 0 | 110.7 | L367 I377 M378 I380 V387 W398 I399 K400 | L367-Y389 HydrophobicContact CD1-CD1 3.82Å; L367-Y389 HydrophobicContact CD1-CD2 4.11Å; L367-Y389 HydrophobicContact CD1-CE1 3.57Å; L367-Y389 HydrophobicContact CD1-CE2 3.91Å; L367-Y389 HydrophobicContact CD1-CG 4.08Å; L367-Y389 HydrophobicContact CD2-CD1 4.14Å; L367-Y389 HydrophobicContact CD2-CD2 4.09Å; L367-Y389 HydrophobicContact CD2-CG 3.8Å; I377-Y389 CarbonylContact C-O 3.55Å; I377-Y389 WeakPolarHBondContact CA-O 3.47Å; M378-Y389 PolarHBondContact N-O 3.02Å; M378-Y389 PolarHBondContact O-N 3.35Å; I380-Y389 HydrophobicContact CD1-CD2 4.07Å; I380-Y389 HydrophobicContact CD1-CE2 3.52Å; I380-Y389 HydrophobicContact CG1-CD2 3.8Å; I380-Y389 HydrophobicContact CG1-CE2 3.59Å; V387-Y389 HydrophobicContact CB-CE2 3.97Å; V387-Y389 HydrophobicContact CG1-CD2 4.07Å; V387-Y389 HydrophobicContact CG1-CE2 3.45Å; V387-Y389 VanDerWaalsContact CG1-CE2 3.45Å; Y389-W398 HydrophobicContact CD1-CB 3.91Å; Y389-W398 HydrophobicContact CG-CB 4.44Å; Y389-I399 CarbonylContact C-O 3.56Å; Y389-I399 VanDerWaalsContact CA-O 3.3Å; Y389-I399 WeakPolarHBondContact CA-O 3.5Å; Y389-K400 HydrophobicContact CD1-CB 4.07Å; Y389-K400 HydrophobicContact CE1-CB 3.64Å; Y389-K400 HydrophobicContact CE1-CG 4.25Å |
| 390 | Q | 85.1 | Confident | 81.7 | Confident | 8 Ų | 8 | 43.1 Ų | 43.1 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 134.3 | 173.6 | -175.2 | -179.2 | -77.6 | 0 | 0 | 110.6 | T289 L291 Q376 I377 I399 V401 | T289-Q390 PolarHBondContact O-NE2 3.04Å; L291-Q390 HydrophobicContact CD1-CB 4Å; L291-Q390 HydrophobicContact CD1-CG 4.44Å; Q376-Q390 CarbonylContact O-C 3.54Å; Q376-Q390 WeakPolarHBondContact O-CA 3.33Å; I377-Q390 HydrophobicContact CD1-CB 3.79Å; I377-Q390 HydrophobicContact CD1-CG 3.9Å; Q390-I399 PolarHBondContact N-O 2.95Å; Q390-I399 PolarHBondContact O-N 2.76Å; Q390-V401 HydrophobicContact CB-CG2 3.6Å |
| 391 | W | 89.2 | Confident | 81.5 | Confident | 20 Ų | 20 | 43.2 Ų | 43.2 | 8% | 0.076 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 126.3 | 173.8 | -177.5 | -110.3 | 0 | 0 | 0 | 111.4 | P370 G371 G375 Q376 T396 R397 W398 | P370-W391 VanDerWaalsContact CA-CH2 3.45Å; P370-W391 HydrophobicContact CB-CH2 3.55Å; P370-W391 HydrophobicContact CB-CZ2 3.7Å; P370-W391 HydrophobicContact CB-CZ3 4.28Å; P370-W391 HydrophobicContact CG-CH2 4.32Å; G371-W391 VanDerWaalsContact N-CE2 3.29Å; G371-W391 VanDerWaalsContact N-CE3 3.33Å; G375-W391 PolarHBondContact N-O 3.49Å; Q376-W391 HydrophobicContact CB-CB 4.08Å; Q376-W391 PolarHBondContact O-N 3.04Å; W391-T396 WeakPolarHBondContact CH2-O 3.44Å; W391-R397 VanDerWaalsContact CE3-C 3.5Å; W391-R397 VanDerWaalsContact CZ3-C 3.49Å; W391-W398 HydrophobicContact CB-CD2 4.38Å; W391-W398 HydrophobicContact CB-CE3 4.01Å; W391-W398 HydrophobicContact CB-CH2 3.96Å; W391-W398 HydrophobicContact CB-CZ2 4.33Å; W391-W398 HydrophobicContact CB-CZ3 3.81Å; W391-W398 AromaticContact CE3-CD1 3.7Å; W391-W398 AromaticContact CE3-CD2 3.83Å; W391-W398 HydrophobicContact CE3-CD2 3.83Å; W391-W398 AromaticContact CE3-CE2 3.63Å; W391-W398 AromaticContact CE3-CG 3.87Å; W391-W398 HydrophobicContact CE3-CG 3.87Å; W391-W398 HydrophobicContact CE3-CZ2 4.2Å; W391-W398 AromaticContact CE3-NE1 3.55Å; W391-W398 AromaticContact CZ3-CD1 3.75Å; W391-W398 HydrophobicContact CZ3-CG 4.3Å; W391-W398 AromaticContact CZ3-NE1 3.74Å |
| 392 | S | 86.6 | Confident | 81 | Confident | 11 Ų | 11 | 41.6 Ų | 41.6 | 8% | 0.077 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 112.9 | 163.1 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | Q394 D395 T396 R397 | S392-Q394 PolarHBondContact O-N 3.02Å; S392-D395 PolarHBondContact OG-N 3.38Å; S392-T396 WeakPolarHBondContact O-CA 3.43Å; S392-T396 PolarHBondContact O-N 3.48Å; S392-R397 PolarHBondContact N-O 2.96Å; S392-R397 PolarHBondContact O-N 2.76Å |
| 393 | S | 86 | Confident | 80.5 | Confident | 39 Ų | 39 | 42.6 Ų | 42.6 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -30.8 | 175.9 | -45 | 0 | 0 | 0 | 0 | 111.1 | E374 T396 | E374-S393 WeakPolarHBondContact CA-OG 3.35Å; E374-S393 PolarHBondContact N-OG 2.82Å; E374-S393 VanDerWaalsContact OE2-CB 3.27Å; E374-S393 WeakPolarHBondContact OE2-CB 3.34Å; E374-S393 PolarHBondContact OE2-N 2.97Å; E374-S393 PolarHBondContact OE2-OG 3.06Å; S393-T396 WeakPolarHBondContact O-CG2 3.32Å |
| 394 | Q | 81.8 | Confident | 80 | Confident | 65 Ų | 65 | 35.4 Ų | 35.4 | 30% | 0.304 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -37.7 | -175.5 | -43 | -46.9 | 18.4 | 0 | 0 | 112.2 | V4 F287 S392 T396 | V4-Q394 HydrophobicContact CG2-CB 3.78Å; V4-Q394 HydrophobicContact CG2-CG 4.12Å; F287-Q394 PolarHBondContact O-NE2 3.42Å; S392-Q394 PolarHBondContact O-N 3.02Å; Q394-T396 VanDerWaalsContact C-N 3.33Å |
| 395 | D | 83 | Confident | 79.4 | Confident | 52 Ų | 52 | 36.3 Ų | 36.3 | 28% | 0.278 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -7.9 | 172.8 | -71.5 | -9.3 | 0 | 0 | 0 | 112.4 | S392 R397 | S392-D395 PolarHBondContact OG-N 3.38Å; D395-R397 HydrophobicContact CB-CG 3.71Å; D395-R397 PolarHBondContact O-N 3.38Å; D395-R397 IonicContact OD2-CZ 3.45Å; D395-R397 IonicContact OD2-NE 3.07Å; D395-R397 PolarHBondContact OD2-NE 2.94Å; D395-R397 VanDerWaalsContact OD2-NE 3.07Å; D395-R397 IonicContact OD2-NH2 3.74Å; D395-R397 PolarHBondContact OD2-NH2 3.02Å |
| 396 | T | 86.6 | Confident | 78.2 | Confident | 109 Ų | 109 | 35.5 Ų | 35.5 | 67% | 0.669 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 39.2 | -174.7 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | W391 S392 S393 Q394 | W391-T396 WeakPolarHBondContact CH2-O 3.44Å; S392-T396 WeakPolarHBondContact O-CA 3.43Å; S392-T396 PolarHBondContact O-N 3.48Å; S393-T396 WeakPolarHBondContact O-CG2 3.32Å; Q394-T396 VanDerWaalsContact C-N 3.33Å |
| 397 | R | 90.7 | Very high | 76.4 | Confident | 87 Ų | 87 | 36.3 Ų | 36.3 | 33% | 0.328 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 160.4 | -177.4 | 73.7 | -174.5 | 173.5 | 117.5 | -2.8 | 112.3 | E337 W391 S392 D395 I399 | E337-R397 IonicContact OE1-CZ 3.6Å; E337-R397 IonicContact OE1-NH1 3.56Å; E337-R397 IonicContact OE1-NH2 3.79Å; E337-R397 PolarHBondContact OE1-NH2 2.85Å; W391-R397 VanDerWaalsContact CE3-C 3.5Å; W391-R397 VanDerWaalsContact CZ3-C 3.49Å; S392-R397 PolarHBondContact N-O 2.96Å; S392-R397 PolarHBondContact O-N 2.76Å; D395-R397 HydrophobicContact CB-CG 3.71Å; D395-R397 PolarHBondContact O-N 3.38Å; D395-R397 IonicContact OD2-CZ 3.45Å; D395-R397 IonicContact OD2-NE 3.07Å; D395-R397 PolarHBondContact OD2-NE 2.94Å; D395-R397 VanDerWaalsContact OD2-NE 3.07Å; D395-R397 IonicContact OD2-NH2 3.74Å; D395-R397 PolarHBondContact OD2-NH2 3.02Å; R397-I399 HydrophobicContact CG-CG1 4.29Å |
| 398 | W | 87.4 | Confident | 74 | Confident | 24 Ų | 24 | 42.6 Ų | 42.6 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 129.7 | 165.8 | -67.5 | 96.4 | 0 | 0 | 0 | 110.2 | L367 K369 Q376 M378 Y389 W391 | L367-W398 HydrophobicContact CB-CG 4.33Å; L367-W398 HydrophobicContact CD2-CB 3.97Å; L367-W398 HydrophobicContact CD2-CD2 3.97Å; L367-W398 HydrophobicContact CD2-CE3 4.49Å; L367-W398 HydrophobicContact CD2-CG 3.71Å; L367-W398 PolarHBondContact O-NE1 3.18Å; K369-W398 PolarHBondContact O-NE1 3.34Å; Q376-W398 HydrophobicContact CB-CH2 4.43Å; Q376-W398 HydrophobicContact CG-CH2 4.07Å; Q376-W398 VanDerWaalsContact O-CZ3 3.3Å; Q376-W398 WeakPolarHBondContact O-CZ3 3.35Å; M378-W398 HydrophobicContact CB-CE3 4.24Å; M378-W398 HydrophobicContact CB-CH2 3.79Å; M378-W398 HydrophobicContact CB-CZ3 3.6Å; M378-W398 HydrophobicContact CE-CH2 3.75Å; M378-W398 HydrophobicContact CE-CZ2 3.58Å; M378-W398 HydrophobicContact SD-CZ2 4.45Å; Y389-W398 HydrophobicContact CD1-CB 3.91Å; Y389-W398 HydrophobicContact CG-CB 4.44Å; W391-W398 HydrophobicContact CB-CD2 4.38Å; W391-W398 HydrophobicContact CB-CE3 4.01Å; W391-W398 HydrophobicContact CB-CH2 3.96Å; W391-W398 HydrophobicContact CB-CZ2 4.33Å; W391-W398 HydrophobicContact CB-CZ3 3.81Å; W391-W398 AromaticContact CE3-CD1 3.7Å; W391-W398 AromaticContact CE3-CD2 3.83Å; W391-W398 HydrophobicContact CE3-CD2 3.83Å; W391-W398 AromaticContact CE3-CE2 3.63Å; W391-W398 AromaticContact CE3-CG 3.87Å; W391-W398 HydrophobicContact CE3-CG 3.87Å; W391-W398 HydrophobicContact CE3-CZ2 4.2Å; W391-W398 AromaticContact CE3-NE1 3.55Å; W391-W398 AromaticContact CZ3-CD1 3.75Å; W391-W398 HydrophobicContact CZ3-CG 4.3Å; W391-W398 AromaticContact CZ3-NE1 3.74Å |
| 399 | I | 84.1 | Confident | 71.5 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 16% | 0.159 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 126.4 | 176.6 | -57 | 177.4 | 0 | 0 | 0 | 107.7 | Y389 Q390 R397 V401 | Y389-I399 CarbonylContact C-O 3.56Å; Y389-I399 VanDerWaalsContact CA-O 3.3Å; Y389-I399 WeakPolarHBondContact CA-O 3.5Å; Q390-I399 PolarHBondContact N-O 2.95Å; Q390-I399 PolarHBondContact O-N 2.76Å; R397-I399 HydrophobicContact CG-CG1 4.29Å; I399-V401 PolarHBondContact O-N 2.72Å |
| 400 | K | 84.9 | Confident | 69.2 | Low | 64 Ų | 64 | 49.7 Ų | 49.7 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 124.1 | 176.1 | -176.8 | 167.4 | 172.3 | 157.6 | 0 | 109.3 | A341 D382 V387 Y389 | A341-K400 HydrophobicContact CB-CB 4.21Å; A341-K400 HydrophobicContact CB-CD 4.1Å; A341-K400 HydrophobicContact CB-CG 3.93Å; D382-K400 IonicContact OD2-NZ 2.92Å; V387-K400 HydrophobicContact CG1-CD 3.86Å; V387-K400 VanDerWaalsContact CG1-CE 3.42Å; V387-K400 HydrophobicContact CG1-CG 3.8Å; Y389-K400 HydrophobicContact CD1-CB 4.07Å; Y389-K400 HydrophobicContact CE1-CB 3.64Å; Y389-K400 HydrophobicContact CE1-CG 4.25Å |
| 401 | V | 78 | Confident | 67.4 | Low | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -23.4 | -176.7 | -173.7 | 0 | 0 | 0 | 0 | 112 | L291 L340 V345 C388 Q390 I399 | L291-V401 HydrophobicContact CD1-CB 4.12Å; L291-V401 HydrophobicContact CD1-CG1 3.68Å; L291-V401 HydrophobicContact CD1-CG2 3.43Å; L291-V401 VanDerWaalsContact CD1-CG2 3.43Å; L340-V401 CarbonylContact O-C 3.54Å; V345-V401 HydrophobicContact CG2-CG1 3.95Å; V345-V401 WeakPolarHBondContact CG2-O 3.31Å; C388-V401 HydrophobicContact CB-CB 4.3Å; C388-V401 WeakPolarHBondContact O-CB 3.24Å; C388-V401 PolarHBondContact O-N 2.66Å; Q390-V401 HydrophobicContact CB-CG2 3.6Å; I399-V401 PolarHBondContact O-N 2.72Å |
| 402 | G | 71.7 | Confident | 65.9 | Low | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 134.8 | 178.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A341 F343 C388 | A341-G402 VanDerWaalsContact O-CA 3.27Å; A341-G402 WeakPolarHBondContact O-CA 3.46Å; F343-G402 WeakPolarHBondContact O-CA 3.45Å; C388-G402 PolarHBondContact N-O 3.34Å; C388-G402 PolarHBondContact O-N 3.31Å |
| 403 | D | 68.5 | Low | 65.1 | Low | 63 Ų | 63 | 62 Ų | 62 | 34% | 0.337 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 130.8 | -176.9 | -58.7 | -24.8 | 0 | 0 | 0 | 110 | V345 V405 | V345-D403 PolarHBondContact N-O 2.84Å; D403-V405 PolarHBondContact O-N 2.85Å |
| 404 | V | 61.5 | Low | 64.5 | Low | 13 Ų | 13 | 65.1 Ų | 65.1 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 103.9 | 174.2 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | V345 V347 L356 V379 S386 C388 | V345-V404 WeakPolarHBondContact O-CA 3.41Å; V347-V404 HydrophobicContact CB-CG1 4.2Å; V347-V404 HydrophobicContact CG2-CB 4.17Å; V347-V404 HydrophobicContact CG2-CG1 3.54Å; V347-V404 HydrophobicContact CG2-CG2 3.57Å; L356-V404 HydrophobicContact CD1-CG1 3.58Å; V379-V404 HydrophobicContact CG1-CB 4.35Å; V379-V404 HydrophobicContact CG1-CG2 3.75Å; V379-V404 HydrophobicContact CG2-CG2 3.99Å; S386-V404 PolarHBondContact O-N 2.71Å; C388-V404 HydrophobicContact CB-CG2 3.58Å |
| 405 | V | 55.1 | Low | 64.3 | Low | 62 Ų | 62 | 63.9 Ų | 63.9 | 38% | 0.376 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 125.7 | 160.5 | -81.4 | 0 | 0 | 0 | 0 | 106.7 | K344 V345 D403 S407 | K344-V405 HydrophobicContact CB-CG2 4.27Å; K344-V405 HydrophobicContact CD-CG1 4.42Å; V345-V405 PolarHBondContact O-N 2.8Å; D403-V405 PolarHBondContact O-N 2.85Å; V405-S407 PolarHBondContact O-N 3.02Å |
| 406 | G | 42.3 | Very low | 64 | Low | 50 Ų | 50 | 69.6 Ų | 69.6 | 52% | 0.515 | 37% | 0.373 | S | S | . | . | trans | -47.6 | 131.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q408 | G406-Q408 VanDerWaalsContact C-N 3.33Å; G406-Q408 PolarHBondContact O-N 3.33Å | ||
| 407 | S | 35.2 | Very low | 63 | Low | 30 Ų | 30 | 67.9 Ų | 67.9 | 21% | 0.21 | 38% | 0.377 | C | S | . | . | trans | -50.5 | 106.9 | 161.3 | 34.3 | 0 | 0 | 0 | 0 | 105.5 | D349 V405 | D349-S407 WeakPolarHBondContact OD1-CB 3.3Å; D349-S407 PolarHBondContact OD1-OG 2.72Å; V405-S407 PolarHBondContact O-N 3.02Å | ||
| 408 | Q | 28.7 | Very low | 62 | Low | 132 Ų | 132 | 70.2 Ų | 70.2 | 62% | 0.617 | 39% | 0.389 | S | S | * | . | trans | -56.3 | 129.5 | 147.9 | -77.4 | -171.1 | -3.2 | 0 | 0 | 103.6 | G406 S410 | G406-Q408 VanDerWaalsContact C-N 3.33Å; G406-Q408 PolarHBondContact O-N 3.33Å; Q408-S410 PolarHBondContact O-N 3.34Å; Q408-S410 VanDerWaalsContact O-N 3.15Å | ||
| 409 | P | 29.4 | Very low | 61.3 | Low | 72 Ų | 72 | 74.8 Ų | 74.8 | 47% | 0.468 | 41% | 0.411 | S | S | . | . | trans | -45.7 | 136.4 | 170.8 | 20.8 | -30.9 | 0 | 0 | 0 | 104.9 | N411 | P409-N411 WeakPolarHBondContact CG-OD1 3.36Å; P409-N411 PolarHBondContact O-N 2.85Å | ||
| 410 | S | 36.9 | Very low | 61.2 | Low | 108 Ų | 108 | 74.8 Ų | 74.8 | 76% | 0.755 | 41% | 0.41 | S | S | * | . | trans | -59.9 | 85.5 | 161.8 | 57.8 | 0 | 0 | 0 | 0 | 104.5 | Q408 R412 | Q408-S410 PolarHBondContact O-N 3.34Å; Q408-S410 VanDerWaalsContact O-N 3.15Å; S410-R412 PolarHBondContact O-N 3.13Å | ||
| 411 | N | 46.8 | Very low | 61 | Low | 73 Ų | 73 | 73.1 Ų | 73.1 | 39% | 0.39 | 40% | 0.404 | S | S | . | . | trans | -71.3 | 10 | 179.4 | -103.2 | -2.6 | 0 | 0 | 0 | 109.6 | P409 Q413 D421 | P409-N411 WeakPolarHBondContact CG-OD1 3.36Å; P409-N411 PolarHBondContact O-N 2.85Å; N411-Q413 VanDerWaalsContact C-N 3.33Å; N411-Q413 WeakPolarHBondContact O-CG 3.48Å; N411-Q413 PolarHBondContact O-N 3.41Å; N411-D421 CarbonylContact C-O 3.56Å; N411-D421 VanDerWaalsContact C-O 3.32Å; N411-D421 VanDerWaalsContact CB-O 3.32Å; N411-D421 WeakPolarHBondContact CB-O 3.46Å; N411-D421 CarbonylContact O-C 3.5Å | ||
| 412 | R | 58.2 | Low | 61.4 | Low | 144 Ų | 144 | 73.8 Ų | 73.8 | 54% | 0.543 | 41% | 0.407 | S | S | . | . | trans | -53.8 | 99 | 167 | -70 | -160.6 | 174.7 | -177.5 | 3.6 | 109.3 | S410 E419 Y420 D421 | S410-R412 PolarHBondContact O-N 3.13Å; R412-E419 HydrophobicContact CB-CB 4.45Å; R412-E419 IonicContact NH1-OE2 3.81Å; R412-Y420 CarbonylContact C-O 3.58Å; R412-Y420 WeakPolarHBondContact CA-O 3.42Å; R412-D421 IonicContact NE-OD1 2.74Å; R412-D421 PolarHBondContact NE-OD1 2.82Å; R412-D421 IonicContact NH2-OD1 3.46Å | ||
| 413 | Q | 70.3 | Confident | 62.2 | Low | 82 Ų | 82 | 74.4 Ų | 74.4 | 38% | 0.383 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 135.8 | 175.2 | -75.9 | 172.3 | 51.6 | 0 | 0 | 107.3 | N411 Y420 V423 | N411-Q413 VanDerWaalsContact C-N 3.33Å; N411-Q413 WeakPolarHBondContact O-CG 3.48Å; N411-Q413 PolarHBondContact O-N 3.41Å; Q413-Y420 PolarHBondContact N-O 2.94Å; Q413-Y420 PolarHBondContact O-N 2.9Å; Q413-V423 HydrophobicContact CB-CB 3.97Å; Q413-V423 HydrophobicContact CB-CG2 3.55Å; Q413-V423 PolarHBondContact OE1-O 3.31Å |
| 414 | V | 73.2 | Confident | 63.2 | Low | 103 Ų | 103 | 72.6 Ų | 72.6 | 62% | 0.624 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 121.9 | 176 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | K418 E419 | V414-K418 WeakPolarHBondContact CA-O 3.41Å; V414-E419 HydrophobicContact CG2-CG 4.07Å |
| 415 | H | 77.3 | Confident | 64.5 | Low | 40 Ų | 40 | 74.8 Ų | 74.8 | 19% | 0.185 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 126.4 | 171.8 | -176.1 | 69.4 | 0 | 0 | 0 | 108.9 | G417 K418 Y420 V423 K436 P438 | H415-G417 PolarHBondContact O-N 3.41Å; H415-G417 VanDerWaalsContact O-N 3.13Å; H415-K418 PolarHBondContact N-O 2.84Å; H415-K418 PolarHBondContact O-N 3.32Å; H415-Y420 HydrophobicContact CB-CD2 3.94Å; H415-Y420 HydrophobicContact CB-CE2 3.99Å; H415-Y420 WeakPolarHBondContact O-CE2 3.29Å; H415-V423 HydrophobicContact CB-CG1 4.17Å; H415-V423 HydrophobicContact CB-CG2 3.73Å; H415-K436 VanDerWaalsContact CE1-CB 3.4Å; H415-K436 WeakPolarHBondContact CE1-CB 3.25Å; H415-P438 HydrophobicContact CB-CB 4.41Å |
| 416 | E | 76.3 | Confident | 65.9 | Low | 171 Ų | 171 | 72.5 Ų | 72.5 | 80% | 0.799 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 36.8 | -177.3 | -58.4 | -168.8 | 150.6 | 0 | 0 | 114.7 | K418 | E416-K418 VanDerWaalsContact C-N 3.3Å; E416-K418 PolarHBondContact O-N 2.86Å |
| 417 | G | 67.2 | Low | 67.8 | Low | 73 Ų | 73 | 75.5 Ų | 75.5 | 75% | 0.753 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 6.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | H415 | H415-G417 PolarHBondContact O-N 3.41Å; H415-G417 VanDerWaalsContact O-N 3.13Å |
| 418 | K | 69.8 | Low | 69.8 | Low | 137 Ų | 137 | 76 Ų | 76 | 60% | 0.596 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 144.3 | 172.9 | -65.1 | 177.2 | -177.9 | 174.9 | 0 | 110.5 | V414 H415 E416 Y420 | V414-K418 WeakPolarHBondContact CA-O 3.41Å; H415-K418 PolarHBondContact N-O 2.84Å; H415-K418 PolarHBondContact O-N 3.32Å; E416-K418 VanDerWaalsContact C-N 3.3Å; E416-K418 PolarHBondContact O-N 2.86Å; K418-Y420 HydrophobicContact CB-CD2 4.39Å; K418-Y420 HydrophobicContact CB-CE2 3.65Å; K418-Y420 WeakPolarHBondContact O-CD2 3.48Å |
| 419 | E | 72.4 | Confident | 71.7 | Confident | 119 Ų | 119 | 73 Ų | 73 | 56% | 0.556 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 131.3 | 174.2 | -68.9 | -180 | 179.6 | 0 | 0 | 110.3 | R412 V414 | R412-E419 HydrophobicContact CB-CB 4.45Å; R412-E419 IonicContact NH1-OE2 3.81Å; V414-E419 HydrophobicContact CG2-CG 4.07Å |
| 420 | Y | 81.6 | Confident | 73.4 | Confident | 31 Ų | 31 | 78.2 Ų | 78.2 | 12% | 0.122 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 137.3 | 177.1 | -63.7 | -88.5 | 0 | 0 | 0 | 111.6 | R412 Q413 H415 K418 F422 V423 P438 N440 | R412-Y420 CarbonylContact C-O 3.58Å; R412-Y420 WeakPolarHBondContact CA-O 3.42Å; Q413-Y420 PolarHBondContact N-O 2.94Å; Q413-Y420 PolarHBondContact O-N 2.9Å; H415-Y420 HydrophobicContact CB-CD2 3.94Å; H415-Y420 HydrophobicContact CB-CE2 3.99Å; H415-Y420 WeakPolarHBondContact O-CE2 3.29Å; K418-Y420 HydrophobicContact CB-CD2 4.39Å; K418-Y420 HydrophobicContact CB-CE2 3.65Å; K418-Y420 WeakPolarHBondContact O-CD2 3.48Å; Y420-F422 WeakPolarHBondContact CB-O 3.18Å; Y420-F422 PolarHBondContact O-N 3.45Å; Y420-V423 HydrophobicContact CD2-CG2 4.35Å; Y420-P438 HydrophobicContact CD1-CB 3.63Å; Y420-P438 HydrophobicContact CD2-CB 3.53Å; Y420-P438 HydrophobicContact CE1-CB 3.67Å; Y420-P438 HydrophobicContact CE1-CG 4.31Å; Y420-P438 HydrophobicContact CE2-CB 3.54Å; Y420-P438 HydrophobicContact CE2-CG 4.31Å; Y420-P438 HydrophobicContact CG-CB 3.55Å; Y420-N440 VanDerWaalsContact CA-OD1 3.23Å; Y420-N440 WeakPolarHBondContact CA-OD1 3.06Å; Y420-N440 VanDerWaalsContact CD1-ND2 3.33Å; Y420-N440 WeakPolarHBondContact CD1-ND2 3.38Å |
| 421 | D | 80.4 | Confident | 74.8 | Confident | 29 Ų | 29 | 78 Ų | 78 | 16% | 0.155 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -54.3 | -28.5 | 178.3 | -62 | -34.1 | 0 | 0 | 0 | 113.6 | N411 R412 N440 R441 | N411-D421 CarbonylContact C-O 3.56Å; N411-D421 VanDerWaalsContact C-O 3.32Å; N411-D421 VanDerWaalsContact CB-O 3.32Å; N411-D421 WeakPolarHBondContact CB-O 3.46Å; N411-D421 CarbonylContact O-C 3.5Å; R412-D421 IonicContact NE-OD1 2.74Å; R412-D421 PolarHBondContact NE-OD1 2.82Å; R412-D421 IonicContact NH2-OD1 3.46Å; D421-N440 PolarHBondContact N-OD1 2.95Å; D421-R441 HydrophobicContact CB-CG 4.3Å; D421-R441 PolarHBondContact OD2-N 2.79Å |
| 422 | F | 85.9 | Confident | 75.8 | Confident | 17 Ų | 17 | 80 Ų | 80 | 8% | 0.075 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 145.8 | 170.9 | -58 | -78.8 | 0 | 0 | 0 | 111.3 | Y420 F424 Y439 R441 A474 | Y420-F422 WeakPolarHBondContact CB-O 3.18Å; Y420-F422 PolarHBondContact O-N 3.45Å; F422-F424 HydrophobicContact CB-CD2 4.23Å; F422-F424 HydrophobicContact CB-CE1 3.98Å; F422-F424 HydrophobicContact CB-CE2 3.65Å; F422-F424 HydrophobicContact CB-CZ 3.5Å; F422-F424 VanDerWaalsContact CB-CZ 3.5Å; F422-F424 HydrophobicContact CD1-CE1 4.05Å; F422-F424 AromaticContact CD1-CZ 3.91Å; F422-F424 HydrophobicContact CD1-CZ 3.91Å; F422-F424 HydrophobicContact CD2-CZ 4.08Å; F422-F424 HydrophobicContact CG-CE1 4.12Å; F422-F424 HydrophobicContact CG-CE2 4.13Å; F422-F424 AromaticContact CG-CZ 3.57Å; F422-F424 HydrophobicContact CG-CZ 3.57Å; F422-Y439 AromaticContact CD2-CD1 3.9Å; F422-Y439 HydrophobicContact CD2-CD1 3.9Å; F422-Y439 HydrophobicContact CD2-CE1 4.5Å; F422-Y439 PolarHBondContact N-O 2.83Å; F422-Y439 PolarHBondContact O-N 2.93Å; F422-R441 HydrophobicContact CD2-CG 4.1Å; F422-R441 HydrophobicContact CE2-CG 3.37Å; F422-R441 VanDerWaalsContact CE2-NE 3.33Å; F422-R441 HydrophobicContact CZ-CG 4.3Å; F422-A474 HydrophobicContact CD2-CB 3.82Å; F422-A474 HydrophobicContact CE2-CB 3.57Å; F422-A474 WeakPolarHBondContact CE2-O 3.27Å; F422-A474 HydrophobicContact CZ-CB 4.24Å; F422-A474 WeakPolarHBondContact CZ-O 3.43Å |
| 423 | V | 89.3 | Confident | 76.6 | Confident | 14 Ų | 14 | 78.1 Ų | 78.1 | 9% | 0.085 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 98.2 | 162.4 | -179 | 0 | 0 | 0 | 0 | 107.3 | Q413 H415 Y420 K436 L437 P438 | Q413-V423 HydrophobicContact CB-CB 3.97Å; Q413-V423 HydrophobicContact CB-CG2 3.55Å; Q413-V423 PolarHBondContact OE1-O 3.31Å; H415-V423 HydrophobicContact CB-CG1 4.17Å; H415-V423 HydrophobicContact CB-CG2 3.73Å; Y420-V423 HydrophobicContact CD2-CG2 4.35Å; V423-K436 HydrophobicContact CG1-CB 4.08Å; V423-K436 HydrophobicContact CG1-CD 4.07Å; V423-K436 HydrophobicContact CG1-CG 4.48Å; V423-L437 CarbonylContact C-O 3.56Å; V423-L437 WeakPolarHBondContact CA-O 3.47Å; V423-P438 HydrophobicContact CG2-CB 4.39Å |
| 424 | F | 88.8 | Confident | 77.1 | Confident | 24 Ų | 24 | 75.4 Ų | 75.4 | 11% | 0.105 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 157.1 | 180 | -55.9 | -68.6 | 0 | 0 | 0 | 111.5 | F422 K436 L437 Y439 F469 I470 N473 A474 | F422-F424 HydrophobicContact CB-CD2 4.23Å; F422-F424 HydrophobicContact CB-CE1 3.98Å; F422-F424 HydrophobicContact CB-CE2 3.65Å; F422-F424 HydrophobicContact CB-CZ 3.5Å; F422-F424 VanDerWaalsContact CB-CZ 3.5Å; F422-F424 HydrophobicContact CD1-CE1 4.05Å; F422-F424 AromaticContact CD1-CZ 3.91Å; F422-F424 HydrophobicContact CD1-CZ 3.91Å; F422-F424 HydrophobicContact CD2-CZ 4.08Å; F422-F424 HydrophobicContact CG-CE1 4.12Å; F422-F424 HydrophobicContact CG-CE2 4.13Å; F422-F424 AromaticContact CG-CZ 3.57Å; F422-F424 HydrophobicContact CG-CZ 3.57Å; F424-K436 CarbonylContact O-C 3.56Å; F424-K436 WeakPolarHBondContact O-CA 3.27Å; F424-L437 HydrophobicContact CB-CB 4.38Å; F424-L437 HydrophobicContact CD2-CD2 4.15Å; F424-L437 PolarHBondContact N-O 2.78Å; F424-L437 PolarHBondContact O-N 2.96Å; F424-Y439 HydrophobicContact CE2-CD1 4.13Å; F424-Y439 HydrophobicContact CE2-CG 4.45Å; F424-F469 HydrophobicContact CB-CE1 3.5Å; F424-F469 HydrophobicContact CB-CZ 4.04Å; F424-F469 HydrophobicContact CD1-CE1 4.28Å; F424-F469 HydrophobicContact CD2-CE1 4.32Å; F424-F469 AromaticContact CG-CE1 3.79Å; F424-F469 HydrophobicContact CG-CE1 3.79Å; F424-F469 HydrophobicContact CG-CZ 4.42Å; F424-I470 HydrophobicContact CE2-CG2 4.4Å; F424-N473 HydrophobicContact CD1-CB 4Å; F424-N473 HydrophobicContact CE1-CB 3.4Å; F424-N473 VanDerWaalsContact CE1-CB 3.4Å; F424-N473 HydrophobicContact CZ-CB 3.82Å; F424-A474 HydrophobicContact CE2-CB 4.23Å; F424-A474 HydrophobicContact CZ-CB 3.83Å |
| 425 | T | 88.8 | Confident | 77.9 | Confident | 60 Ų | 60 | 72.7 Ų | 72.7 | 37% | 0.368 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 118.4 | 168 | -51.5 | 0 | 0 | 0 | 0 | 107.1 | L435 K436 | T425-L435 CarbonylContact C-O 3.55Å; T425-L435 WeakPolarHBondContact CA-O 3.38Å; T425-K436 PolarHBondContact OG1-NZ 3.45Å |
| 426 | V | 84.9 | Confident | 78.5 | Confident | 13 Ų | 13 | 75 Ų | 75 | 8% | 0.079 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 109.6 | -176.9 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | I428 L435 L437 F452 F469 | V426-I428 HydrophobicContact CG1-CG1 4.18Å; V426-L435 PolarHBondContact N-O 3.44Å; V426-L435 PolarHBondContact O-N 2.98Å; V426-L437 HydrophobicContact CG2-CB 3.79Å; V426-L437 HydrophobicContact CG2-CD1 3.89Å; V426-F452 HydrophobicContact CB-CE1 4.21Å; V426-F452 HydrophobicContact CB-CE2 4.45Å; V426-F452 HydrophobicContact CB-CZ 3.72Å; V426-F452 HydrophobicContact CG1-CE1 4.03Å; V426-F452 HydrophobicContact CG1-CZ 4.01Å; V426-F452 HydrophobicContact CG2-CE1 4.43Å; V426-F452 HydrophobicContact CG2-CE2 4.47Å; V426-F452 HydrophobicContact CG2-CZ 4.07Å; V426-F469 HydrophobicContact CG2-CD1 4.13Å; V426-F469 HydrophobicContact CG2-CE1 3.78Å; V426-F469 HydrophobicContact CG2-CZ 4.43Å |
| 427 | D | 83.1 | Confident | 79.2 | Confident | 114 Ų | 114 | 67 Ų | 67 | 61% | 0.61 | 38% | 0.377 | S | S | * | . | trans | -87.4 | 116.4 | 174.1 | -57.2 | -42.4 | 0 | 0 | 0 | 108.6 | G434 | D427-G434 WeakPolarHBondContact OD1-CA 3.28Š| ||
| 428 | I | 76.1 | Confident | 80.3 | Confident | 41 Ų | 41 | 65 Ų | 65 | 21% | 0.21 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -94.9 | -36.6 | -176.6 | -61 | -176 | 0 | 0 | 0 | 111 | V426 L435 F452 L458 Y462 | V426-I428 HydrophobicContact CG1-CG1 4.18Å; I428-L435 HydrophobicContact CD1-CD1 3.66Å; I428-F452 HydrophobicContact CD1-CE1 4.34Å; I428-F452 HydrophobicContact CD1-CZ 4.48Å; I428-L458 HydrophobicContact CD1-CD1 3.13Å; I428-L458 HydrophobicContact CD1-CD2 3.29Å; I428-L458 HydrophobicContact CD1-CG 3.79Å; I428-Y462 HydrophobicContact CG2-CE1 3.94Å; I428-Y462 HydrophobicContact CG2-CE2 3.98Å |
| 429 | D | 70.1 | Confident | 81.3 | Confident | 67 Ų | 67 | 58.6 Ų | 58.6 | 36% | 0.358 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -142.7 | 156.1 | 170.4 | 74 | 52.4 | 0 | 0 | 0 | 109.4 | S431 M432 | D429-S431 VanDerWaalsContact CG-OG 3.29Å; D429-S431 PolarHBondContact O-N 3.43Å; D429-S431 VanDerWaalsContact O-N 3.1Å; D429-S431 VanDerWaalsContact OD1-C 3.23Å; D429-S431 WeakPolarHBondContact OD1-CA 3.27Å; D429-S431 VanDerWaalsContact OD1-CB 3.3Å; D429-S431 WeakPolarHBondContact OD1-CB 3.3Å; D429-S431 PolarHBondContact OD1-N 3.06Å; D429-S431 PolarHBondContact OD1-OG 3.48Å; D429-M432 PolarHBondContact O-N 3.35Å; D429-M432 WeakPolarHBondContact OD1-CB 3.22Å; D429-M432 WeakPolarHBondContact OD1-CG 3.44Å; D429-M432 PolarHBondContact OD1-N 2.88Å; D429-M432 WeakPolarHBondContact OD2-CG 3.27Å |
| 430 | D | 64.9 | Low | 81.8 | Confident | 182 Ų | 182 | 54.1 Ų | 54.1 | 97% | 0.973 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -5.7 | -179.3 | -70.2 | -29.2 | 0 | 0 | 0 | 113.8 | ||
| 431 | S | 66.6 | Low | 82 | Confident | 105 Ų | 105 | 54.5 Ų | 54.5 | 73% | 0.734 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -13.4 | -176.3 | 70.4 | 0 | 0 | 0 | 0 | 114.7 | D429 | D429-S431 VanDerWaalsContact CG-OG 3.29Å; D429-S431 PolarHBondContact O-N 3.43Å; D429-S431 VanDerWaalsContact O-N 3.1Å; D429-S431 VanDerWaalsContact OD1-C 3.23Å; D429-S431 WeakPolarHBondContact OD1-CA 3.27Å; D429-S431 VanDerWaalsContact OD1-CB 3.3Å; D429-S431 WeakPolarHBondContact OD1-CB 3.3Å; D429-S431 PolarHBondContact OD1-N 3.06Å; D429-S431 PolarHBondContact OD1-OG 3.48Å |
| 432 | M | 66.1 | Low | 81.8 | Confident | 113 Ų | 113 | 56 Ų | 56 | 56% | 0.557 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -107.4 | 144.3 | -177.5 | -70.1 | -66.6 | -72.4 | 0 | 0 | 110.8 | D429 G434 | D429-M432 PolarHBondContact O-N 3.35Å; D429-M432 WeakPolarHBondContact OD1-CB 3.22Å; D429-M432 WeakPolarHBondContact OD1-CG 3.44Å; D429-M432 PolarHBondContact OD1-N 2.88Å; D429-M432 WeakPolarHBondContact OD2-CG 3.27Å; M432-G434 PolarHBondContact O-N 2.96Å |
| 433 | P | 75.2 | Confident | 81.4 | Confident | 105 Ų | 105 | 58.2 Ų | 58.2 | 68% | 0.682 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 134.8 | 172.8 | -14.7 | 27.4 | 0 | 0 | 0 | 109.9 | L435 | P433-L435 PolarHBondContact O-N 3.06Š|
| 434 | G | 80.8 | Confident | 81.1 | Confident | 25 Ų | 25 | 62.1 Ų | 62.1 | 26% | 0.258 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 125.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D427 M432 | D427-G434 WeakPolarHBondContact OD1-CA 3.28Å; M432-G434 PolarHBondContact O-N 2.96Å |
| 435 | L | 89.7 | Confident | 81 | Confident | 46 Ų | 46 | 61.4 Ų | 61.4 | 24% | 0.241 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 144.5 | -176.8 | -62.6 | 176.5 | 0 | 0 | 0 | 110.1 | T425 V426 I428 P433 F452 H456 L458 | T425-L435 CarbonylContact C-O 3.55Å; T425-L435 WeakPolarHBondContact CA-O 3.38Å; V426-L435 PolarHBondContact N-O 3.44Å; V426-L435 PolarHBondContact O-N 2.98Å; I428-L435 HydrophobicContact CD1-CD1 3.66Å; P433-L435 PolarHBondContact O-N 3.06Å; L435-F452 HydrophobicContact CB-CE2 3.76Å; L435-F452 HydrophobicContact CB-CZ 3.68Å; L435-F452 HydrophobicContact CD1-CZ 4.11Å; L435-H456 HydrophobicContact CD1-CB 3.87Å; L435-L458 HydrophobicContact CD1-CD1 4.3Å; L435-L458 HydrophobicContact CD1-CD2 4.41Å |
| 436 | K | 91.4 | Very high | 81.1 | Confident | 90 Ų | 90 | 63.4 Ų | 63.4 | 39% | 0.391 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 125.8 | -177.6 | -65.1 | -63.4 | -177.6 | -179.4 | 0 | 110.4 | H415 V423 F424 T425 P438 | H415-K436 VanDerWaalsContact CE1-CB 3.4Å; H415-K436 WeakPolarHBondContact CE1-CB 3.25Å; V423-K436 HydrophobicContact CG1-CB 4.08Å; V423-K436 HydrophobicContact CG1-CD 4.07Å; V423-K436 HydrophobicContact CG1-CG 4.48Å; F424-K436 CarbonylContact O-C 3.56Å; F424-K436 WeakPolarHBondContact O-CA 3.27Å; T425-K436 PolarHBondContact OG1-NZ 3.45Å; K436-P438 WeakPolarHBondContact O-CD 3.38Å |
| 437 | L | 91.1 | Very high | 81.2 | Confident | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 98 | 176.4 | -168 | 158.9 | 0 | 0 | 0 | 108.9 | V423 F424 V426 F452 V466 I470 | V423-L437 CarbonylContact C-O 3.56Å; V423-L437 WeakPolarHBondContact CA-O 3.47Å; F424-L437 HydrophobicContact CB-CB 4.38Å; F424-L437 HydrophobicContact CD2-CD2 4.15Å; F424-L437 PolarHBondContact N-O 2.78Å; F424-L437 PolarHBondContact O-N 2.96Å; V426-L437 HydrophobicContact CG2-CB 3.79Å; V426-L437 HydrophobicContact CG2-CD1 3.89Å; L437-F452 HydrophobicContact CB-CD2 3.7Å; L437-F452 HydrophobicContact CB-CE2 3.9Å; L437-F452 HydrophobicContact CB-CG 4.33Å; L437-F452 HydrophobicContact CD1-CB 3.85Å; L437-F452 HydrophobicContact CD1-CD1 3.87Å; L437-F452 HydrophobicContact CD1-CD2 3.84Å; L437-F452 HydrophobicContact CD1-CE1 4.38Å; L437-F452 HydrophobicContact CD1-CE2 4.35Å; L437-F452 HydrophobicContact CD1-CG 3.56Å; L437-F452 HydrophobicContact CG-CB 4.04Å; L437-F452 HydrophobicContact CG-CD2 3.73Å; L437-F452 HydrophobicContact CG-CE2 4.37Å; L437-F452 HydrophobicContact CG-CG 3.89Å; L437-V466 HydrophobicContact CD1-CG1 3.29Å; L437-I470 HydrophobicContact CD1-CD1 3.95Å; L437-I470 HydrophobicContact CD1-CG1 4.1Å; L437-I470 HydrophobicContact CD2-CD1 3.73Å; L437-I470 HydrophobicContact CD2-CG1 3.82Å |
| 438 | P | 90.6 | Very high | 81.5 | Confident | 33 Ų | 33 | 64.5 Ų | 64.5 | 21% | 0.214 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 137.8 | 171.5 | 32.1 | -35.9 | 0 | 0 | 0 | 110.6 | H415 Y420 V423 K436 | H415-P438 HydrophobicContact CB-CB 4.41Å; Y420-P438 HydrophobicContact CD1-CB 3.63Å; Y420-P438 HydrophobicContact CD2-CB 3.53Å; Y420-P438 HydrophobicContact CE1-CB 3.67Å; Y420-P438 HydrophobicContact CE1-CG 4.31Å; Y420-P438 HydrophobicContact CE2-CB 3.54Å; Y420-P438 HydrophobicContact CE2-CG 4.31Å; Y420-P438 HydrophobicContact CG-CB 3.55Å; V423-P438 HydrophobicContact CG2-CB 4.39Å; K436-P438 WeakPolarHBondContact O-CD 3.38Å |
| 439 | Y | 89.8 | Confident | 82.2 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 0% | 0.004 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 125.3 | -179.5 | 177.5 | -110.2 | 0 | 0 | 0 | 110.8 | F422 F424 E443 P445 A448 I470 A474 | F422-Y439 AromaticContact CD2-CD1 3.9Å; F422-Y439 HydrophobicContact CD2-CD1 3.9Å; F422-Y439 HydrophobicContact CD2-CE1 4.5Å; F422-Y439 PolarHBondContact N-O 2.83Å; F422-Y439 PolarHBondContact O-N 2.93Å; F424-Y439 HydrophobicContact CE2-CD1 4.13Å; F424-Y439 HydrophobicContact CE2-CG 4.45Å; Y439-E443 HydrophobicContact CD2-CB 4.08Å; Y439-E443 HydrophobicContact CE2-CB 3.8Å; Y439-E443 VanDerWaalsContact CE2-O 3.23Å; Y439-E443 WeakPolarHBondContact CE2-O 3.4Å; Y439-E443 PolarHBondContact OH-O 3.16Å; Y439-P445 HydrophobicContact CE2-CG 4.22Å; Y439-P445 WeakPolarHBondContact OH-CD 3.42Å; Y439-P445 WeakPolarHBondContact OH-CG 3.31Å; Y439-A448 HydrophobicContact CD2-CB 3.64Å; Y439-A448 HydrophobicContact CE2-CB 4.2Å; Y439-I470 HydrophobicContact CD1-CG2 3.63Å; Y439-I470 HydrophobicContact CD2-CG2 3.81Å; Y439-I470 HydrophobicContact CE1-CG2 3.64Å; Y439-I470 HydrophobicContact CE2-CG2 3.8Å; Y439-I470 HydrophobicContact CG-CG2 3.74Å; Y439-A474 HydrophobicContact CD1-CB 3.65Å; Y439-A474 HydrophobicContact CE1-CB 3.41Å; Y439-A474 VanDerWaalsContact CE1-CB 3.41Å |
| 440 | N | 83.8 | Confident | 83.2 | Confident | 25 Ų | 25 | 64 Ų | 64 | 13% | 0.134 | 34% | 0.339 | C | S | . | . | trans | -90.4 | 144.2 | 165.7 | -69.5 | -59.8 | 0 | 0 | 0 | 109.9 | Y420 D421 T442 E443 | Y420-N440 VanDerWaalsContact CA-OD1 3.23Å; Y420-N440 WeakPolarHBondContact CA-OD1 3.06Å; Y420-N440 VanDerWaalsContact CD1-ND2 3.33Å; Y420-N440 WeakPolarHBondContact CD1-ND2 3.38Å; D421-N440 PolarHBondContact N-OD1 2.95Å; N440-T442 WeakPolarHBondContact CB-OG1 3.27Å; N440-T442 PolarHBondContact O-N 2.99Å; N440-E443 HydrophobicContact CB-CG 3.95Å; N440-E443 PolarHBondContact N-OE2 2.6Å; N440-E443 PolarHBondContact ND2-OE1 2.83Å; N440-E443 WeakPolarHBondContact O-CB 3.42Å; N440-E443 PolarHBondContact O-N 2.91Å | ||
| 441 | R | 84.3 | Confident | 84.3 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 15% | 0.151 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -17.8 | 174.5 | -77.3 | -172.8 | 157.5 | 154.9 | -6 | 113.2 | D421 F422 E443 A474 P477 I478 | D421-R441 HydrophobicContact CB-CG 4.3Å; D421-R441 PolarHBondContact OD2-N 2.79Å; F422-R441 HydrophobicContact CD2-CG 4.1Å; F422-R441 HydrophobicContact CE2-CG 3.37Å; F422-R441 VanDerWaalsContact CE2-NE 3.33Å; F422-R441 HydrophobicContact CZ-CG 4.3Å; R441-E443 VanDerWaalsContact C-N 3.33Å; R441-A474 PolarHBondContact NE-O 2.94Å; R441-A474 PolarHBondContact NH2-O 3.14Å; R441-P477 CarbonylContact O-C 3.51Å; R441-P477 VanDerWaalsContact O-CA 3.29Å; R441-P477 WeakPolarHBondContact O-CA 3.27Å; R441-I478 CarbonylContact C-O 3.58Å; R441-I478 HydrophobicContact CB-CB 3.89Å; R441-I478 HydrophobicContact CB-CD1 4.22Å; R441-I478 HydrophobicContact CB-CG1 4.06Å; R441-I478 HydrophobicContact CG-CD1 4.4Å; R441-I478 PolarHBondContact O-N 3.25Å; R441-I478 VanDerWaalsContact O-O 3.11Å |
| 442 | T | 76 | Confident | 85.6 | Confident | 60 Ų | 60 | 53.1 Ų | 53.1 | 37% | 0.368 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -11.4 | 176.2 | 66.2 | 0 | 0 | 0 | 0 | 113.8 | N440 I478 P480 | N440-T442 WeakPolarHBondContact CB-OG1 3.27Å; N440-T442 PolarHBondContact O-N 2.99Å; T442-I478 VanDerWaalsContact CA-O 3.3Å; T442-I478 WeakPolarHBondContact CA-O 3.43Å; T442-P480 HydrophobicContact CG2-CB 3.71Å; T442-P480 HydrophobicContact CG2-CG 4.47Å |
| 443 | E | 78.5 | Confident | 86.6 | Confident | 64 Ų | 64 | 48.4 Ų | 48.4 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -91.4 | 153.2 | 179.3 | -71 | 162.9 | -171.9 | 0 | 0 | 111.1 | Y439 N440 R441 P445 | Y439-E443 HydrophobicContact CD2-CB 4.08Å; Y439-E443 HydrophobicContact CE2-CB 3.8Å; Y439-E443 VanDerWaalsContact CE2-O 3.23Å; Y439-E443 WeakPolarHBondContact CE2-O 3.4Å; Y439-E443 PolarHBondContact OH-O 3.16Å; N440-E443 HydrophobicContact CB-CG 3.95Å; N440-E443 PolarHBondContact N-OE2 2.6Å; N440-E443 PolarHBondContact ND2-OE1 2.83Å; N440-E443 WeakPolarHBondContact O-CB 3.42Å; N440-E443 PolarHBondContact O-N 2.91Å; R441-E443 VanDerWaalsContact C-N 3.33Å; E443-P445 WeakPolarHBondContact O-CD 3.25Å |
| 444 | D | 82.3 | Confident | 87.2 | Confident | 95 Ų | 95 | 49.9 Ų | 49.9 | 51% | 0.508 | 25% | 0.25 | S | S | . | . | trans | -72.7 | 122 | 170.7 | -177.2 | -9.6 | 0 | 0 | 0 | 109.6 | W446 F447 A448 | D444-W446 PolarHBondContact O-N 2.8Å; D444-W446 WeakPolarHBondContact OD1-CA 3.33Å; D444-W446 PolarHBondContact OD1-N 3.45Å; D444-F447 HydrophobicContact CB-CB 4.05Å; D444-F447 PolarHBondContact O-N 2.9Å; D444-A448 PolarHBondContact O-N 3.24Å | ||
| 445 | P | 87.2 | Confident | 87.4 | Confident | 9 Ų | 9 | 51.7 Ų | 51.7 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -51.8 | -36 | 172.6 | -25.7 | 34 | 0 | 0 | 0 | 113 | Y439 E443 A449 I470 I471 | Y439-P445 HydrophobicContact CE2-CG 4.22Å; Y439-P445 WeakPolarHBondContact OH-CD 3.42Å; Y439-P445 WeakPolarHBondContact OH-CG 3.31Å; E443-P445 WeakPolarHBondContact O-CD 3.25Å; P445-A449 VanDerWaalsContact O-CB 3.23Å; P445-A449 WeakPolarHBondContact O-CB 3.16Å; P445-A449 PolarHBondContact O-N 3.02Å; P445-I470 HydrophobicContact CB-CB 4.1Å; P445-I470 HydrophobicContact CB-CG2 3.76Å; P445-I470 HydrophobicContact CG-CG2 4.14Å; P445-I471 HydrophobicContact CB-CD1 4.28Å; P445-I471 HydrophobicContact CB-CG1 3.74Å; P445-I471 HydrophobicContact CG-CG1 3.84Å |
| 446 | W | 89.9 | Confident | 87.3 | Confident | 103 Ų | 103 | 53 Ų | 53 | 39% | 0.39 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -34.2 | -69.4 | 160.8 | 44.2 | 12.8 | 0 | 0 | 0 | 114.1 | D444 H450 L463 D464 A467 | D444-W446 PolarHBondContact O-N 2.8Å; D444-W446 WeakPolarHBondContact OD1-CA 3.33Å; D444-W446 PolarHBondContact OD1-N 3.45Å; W446-H450 PolarHBondContact O-N 3.05Å; W446-H450 VanDerWaalsContact O-N 3.07Å; W446-L463 HydrophobicContact CE3-CD1 4.44Å; W446-L463 HydrophobicContact CE3-CD2 4.33Å; W446-L463 HydrophobicContact CE3-CG 3.97Å; W446-L463 HydrophobicContact CZ3-CG 4.24Å; W446-D464 WeakPolarHBondContact CH2-OD1 3.3Å; W446-D464 HydrophobicContact CZ3-CB 4.47Å; W446-D464 WeakPolarHBondContact CZ3-OD1 3.45Å; W446-A467 HydrophobicContact CB-CB 4.16Å; W446-A467 HydrophobicContact CD2-CB 3.55Å; W446-A467 HydrophobicContact CE3-CB 3.54Å; W446-A467 HydrophobicContact CG-CB 3.91Å; W446-A467 HydrophobicContact CH2-CB 4.34Å; W446-A467 HydrophobicContact CZ2-CB 4.37Å; W446-A467 HydrophobicContact CZ3-CB 3.96Å |
| 447 | F | 87.5 | Confident | 87 | Confident | 140 Ų | 140 | 56.1 Ų | 56.1 | 61% | 0.614 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -73.7 | -37.3 | -170.7 | -170 | -96.5 | 0 | 0 | 0 | 111.7 | D444 H450 S451 | D444-F447 HydrophobicContact CB-CB 4.05Å; D444-F447 PolarHBondContact O-N 2.9Å; F447-H450 PolarHBondContact O-N 3.05Å; F447-S451 WeakPolarHBondContact CE1-OG 3.42Å; F447-S451 WeakPolarHBondContact O-CB 3.42Å; F447-S451 PolarHBondContact O-N 3.41Å; F447-S451 PolarHBondContact O-OG 2.89Å |
| 448 | A | 88.9 | Confident | 86.7 | Confident | 9 Ų | 9 | 57.7 Ų | 57.7 | 7% | 0.074 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y439 D444 S451 F452 I470 | Y439-A448 HydrophobicContact CD2-CB 3.64Å; Y439-A448 HydrophobicContact CE2-CB 4.2Å; D444-A448 PolarHBondContact O-N 3.24Å; A448-S451 PolarHBondContact O-N 2.82Å; A448-F452 WeakPolarHBondContact O-CB 3.43Å; A448-F452 PolarHBondContact O-N 3.28Å; A448-I470 HydrophobicContact CB-CD1 3.89Å |
| 449 | A | 92.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P445 F452 I453 L463 V466 A467 I470 | P445-A449 VanDerWaalsContact O-CB 3.23Å; P445-A449 WeakPolarHBondContact O-CB 3.16Å; P445-A449 PolarHBondContact O-N 3.02Å; A449-F452 PolarHBondContact O-N 3.2Å; A449-I453 WeakPolarHBondContact O-CB 3.22Å; A449-I453 WeakPolarHBondContact O-CD1 3.23Å; A449-I453 VanDerWaalsContact O-CG1 3.26Å; A449-I453 WeakPolarHBondContact O-CG1 3.38Å; A449-I453 PolarHBondContact O-N 2.98Å; A449-L463 HydrophobicContact CB-CD1 4Å; A449-V466 HydrophobicContact CB-CB 3.96Å; A449-V466 HydrophobicContact CB-CG1 3.67Å; A449-A467 HydrophobicContact CB-CB 3.87Å; A449-I470 HydrophobicContact CB-CD1 4.08Å |
| 450 | H | 90.9 | Very high | 85.9 | Confident | 98 Ų | 98 | 65 Ų | 65 | 45% | 0.454 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 177 | -170.7 | 76.3 | 0 | 0 | 0 | 112.1 | W446 F447 F452 I453 Q454 L463 | W446-H450 PolarHBondContact O-N 3.05Å; W446-H450 VanDerWaalsContact O-N 3.07Å; F447-H450 PolarHBondContact O-N 3.05Å; H450-F452 VanDerWaalsContact C-N 3.33Å; H450-F452 PolarHBondContact O-N 3.24Å; H450-I453 PolarHBondContact O-N 2.87Å; H450-Q454 WeakPolarHBondContact O-CB 3.38Å; H450-Q454 PolarHBondContact O-N 2.89Å; H450-L463 HydrophobicContact CB-CD1 4.1Å |
| 451 | S | 88.3 | Confident | 85.8 | Confident | 49 Ų | 49 | 66.8 Ų | 66.8 | 34% | 0.343 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.6 | -38.6 | 178.1 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | F447 A448 G455 | F447-S451 WeakPolarHBondContact CE1-OG 3.42Å; F447-S451 WeakPolarHBondContact O-CB 3.42Å; F447-S451 PolarHBondContact O-N 3.41Å; F447-S451 PolarHBondContact O-OG 2.89Å; A448-S451 PolarHBondContact O-N 2.82Å; S451-G455 PolarHBondContact O-N 3.02Å |
| 452 | F | 92.3 | Very high | 85.9 | Confident | 10 Ų | 10 | 68.7 Ų | 68.7 | 4% | 0.044 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 174.7 | 172.3 | -96.6 | 0 | 0 | 0 | 112.2 | V426 I428 L435 L437 A448 A449 H450 G455 H456 L458 V466 | V426-F452 HydrophobicContact CB-CE1 4.21Å; V426-F452 HydrophobicContact CB-CE2 4.45Å; V426-F452 HydrophobicContact CB-CZ 3.72Å; V426-F452 HydrophobicContact CG1-CE1 4.03Å; V426-F452 HydrophobicContact CG1-CZ 4.01Å; V426-F452 HydrophobicContact CG2-CE1 4.43Å; V426-F452 HydrophobicContact CG2-CE2 4.47Å; V426-F452 HydrophobicContact CG2-CZ 4.07Å; I428-F452 HydrophobicContact CD1-CE1 4.34Å; I428-F452 HydrophobicContact CD1-CZ 4.48Å; L435-F452 HydrophobicContact CB-CE2 3.76Å; L435-F452 HydrophobicContact CB-CZ 3.68Å; L435-F452 HydrophobicContact CD1-CZ 4.11Å; L437-F452 HydrophobicContact CB-CD2 3.7Å; L437-F452 HydrophobicContact CB-CE2 3.9Å; L437-F452 HydrophobicContact CB-CG 4.33Å; L437-F452 HydrophobicContact CD1-CB 3.85Å; L437-F452 HydrophobicContact CD1-CD1 3.87Å; L437-F452 HydrophobicContact CD1-CD2 3.84Å; L437-F452 HydrophobicContact CD1-CE1 4.38Å; L437-F452 HydrophobicContact CD1-CE2 4.35Å; L437-F452 HydrophobicContact CD1-CG 3.56Å; L437-F452 HydrophobicContact CG-CB 4.04Å; L437-F452 HydrophobicContact CG-CD2 3.73Å; L437-F452 HydrophobicContact CG-CE2 4.37Å; L437-F452 HydrophobicContact CG-CG 3.89Å; A448-F452 WeakPolarHBondContact O-CB 3.43Å; A448-F452 PolarHBondContact O-N 3.28Å; A449-F452 PolarHBondContact O-N 3.2Å; H450-F452 VanDerWaalsContact C-N 3.33Å; H450-F452 PolarHBondContact O-N 3.24Å; F452-G455 PolarHBondContact O-N 2.92Å; F452-H456 AromaticContact CD2-CE1 3.52Å; F452-H456 AromaticContact CD2-ND1 3.45Å; F452-H456 WeakPolarHBondContact CD2-ND1 3.29Å; F452-H456 AromaticContact CE2-CE1 3.5Å; F452-H456 VanDerWaalsContact CE2-CE1 3.5Å; F452-H456 WeakPolarHBondContact CE2-CE1 3.38Å; F452-H456 AromaticContact CE2-ND1 3.53Å; F452-H456 PolarHBondContact O-N 2.91Å; F452-H456 PolarHBondContact O-ND1 3.27Å; F452-L458 HydrophobicContact CD1-CD1 4.02Å; F452-L458 HydrophobicContact CE1-CD1 3.51Å; F452-L458 HydrophobicContact CZ-CD1 4.15Å; F452-V466 HydrophobicContact CD1-CG1 3.86Å; F452-V466 HydrophobicContact CD1-CG2 4.19Å; F452-V466 HydrophobicContact CE1-CG1 4.38Å; F452-V466 HydrophobicContact CE1-CG2 4.18Å |
| 453 | I | 89 | Confident | 86.6 | Confident | 13 Ų | 13 | 68.1 Ų | 68.1 | 7% | 0.067 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 177.3 | -74 | 167.7 | 0 | 0 | 0 | 111 | A449 H450 D457 L458 L463 | A449-I453 WeakPolarHBondContact O-CB 3.22Å; A449-I453 WeakPolarHBondContact O-CD1 3.23Å; A449-I453 VanDerWaalsContact O-CG1 3.26Å; A449-I453 WeakPolarHBondContact O-CG1 3.38Å; A449-I453 PolarHBondContact O-N 2.98Å; H450-I453 PolarHBondContact O-N 2.87Å; I453-D457 PolarHBondContact O-N 3.18Å; I453-L458 HydrophobicContact CB-CB 4.39Å; I453-L458 HydrophobicContact CG1-CB 4.37Å; I453-L458 HydrophobicContact CG1-CD1 4.47Å; I453-L458 HydrophobicContact CG2-CB 4.07Å; I453-L458 VanDerWaalsContact CG2-O 3.24Å; I453-L458 WeakPolarHBondContact CG2-O 3.33Å; I453-L458 PolarHBondContact O-N 2.86Å; I453-L463 HydrophobicContact CD1-CB 3.9Å; I453-L463 HydrophobicContact CD1-CD1 4.13Å; I453-L463 VanDerWaalsContact CD1-N 3.3Å |
| 454 | Q | 86.4 | Confident | 87 | Confident | 137 Ų | 137 | 69.4 Ų | 69.4 | 64% | 0.64 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -67.8 | -40.3 | 178.1 | -171 | 179.3 | 7.4 | 0 | 0 | 112.1 | H450 H456 D457 | H450-Q454 WeakPolarHBondContact O-CB 3.38Å; H450-Q454 PolarHBondContact O-N 2.89Å; Q454-H456 VanDerWaalsContact C-N 3.28Å; Q454-H456 PolarHBondContact O-N 3.03Å; Q454-D457 PolarHBondContact O-N 3.29Å |
| 455 | G | 86.2 | Confident | 87.2 | Confident | 62 Ų | 62 | 69.3 Ų | 69.3 | 64% | 0.639 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -69.8 | -21.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S451 F452 | S451-G455 PolarHBondContact O-N 3.02Å; F452-G455 PolarHBondContact O-N 2.92Å |
| 456 | H | 87 | Confident | 87.4 | Confident | 75 Ų | 75 | 69.1 Ų | 69.1 | 35% | 0.347 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 13.7 | 179.5 | -63 | 93.6 | 0 | 0 | 0 | 113.5 | L435 F452 Q454 L458 | L435-H456 HydrophobicContact CD1-CB 3.87Å; F452-H456 AromaticContact CD2-CE1 3.52Å; F452-H456 AromaticContact CD2-ND1 3.45Å; F452-H456 WeakPolarHBondContact CD2-ND1 3.29Å; F452-H456 AromaticContact CE2-CE1 3.5Å; F452-H456 VanDerWaalsContact CE2-CE1 3.5Å; F452-H456 WeakPolarHBondContact CE2-CE1 3.38Å; F452-H456 AromaticContact CE2-ND1 3.53Å; F452-H456 PolarHBondContact O-N 2.91Å; F452-H456 PolarHBondContact O-ND1 3.27Å; Q454-H456 VanDerWaalsContact C-N 3.28Å; Q454-H456 PolarHBondContact O-N 3.03Å; H456-L458 VanDerWaalsContact C-N 3.3Å; H456-L458 HydrophobicContact CB-CD1 3.9Å; H456-L458 HydrophobicContact CB-CD2 4.44Å; H456-L458 HydrophobicContact CB-CG 3.86Å; H456-L458 PolarHBondContact O-N 3.34Å |
| 457 | D | 84.5 | Confident | 87.4 | Confident | 155 Ų | 155 | 64.2 Ų | 64.2 | 83% | 0.829 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 41.7 | -180 | -70.4 | -42.8 | 0 | 0 | 0 | 114.3 | I453 Q454 | I453-D457 PolarHBondContact O-N 3.18Å; Q454-D457 PolarHBondContact O-N 3.29Å |
| 458 | L | 85.5 | Confident | 87.4 | Confident | 33 Ų | 33 | 61.7 Ų | 61.7 | 17% | 0.173 | 36% | 0.364 | C | S | . | . | trans | -89.2 | 151 | -176.7 | -57.8 | 169.3 | 0 | 0 | 0 | 112.2 | I428 L435 F452 I453 H456 S460 Y462 | I428-L458 HydrophobicContact CD1-CD1 3.13Å; I428-L458 HydrophobicContact CD1-CD2 3.29Å; I428-L458 HydrophobicContact CD1-CG 3.79Å; L435-L458 HydrophobicContact CD1-CD1 4.3Å; L435-L458 HydrophobicContact CD1-CD2 4.41Å; F452-L458 HydrophobicContact CD1-CD1 4.02Å; F452-L458 HydrophobicContact CE1-CD1 3.51Å; F452-L458 HydrophobicContact CZ-CD1 4.15Å; I453-L458 HydrophobicContact CB-CB 4.39Å; I453-L458 HydrophobicContact CG1-CB 4.37Å; I453-L458 HydrophobicContact CG1-CD1 4.47Å; I453-L458 HydrophobicContact CG2-CB 4.07Å; I453-L458 VanDerWaalsContact CG2-O 3.24Å; I453-L458 WeakPolarHBondContact CG2-O 3.33Å; I453-L458 PolarHBondContact O-N 2.86Å; H456-L458 VanDerWaalsContact C-N 3.3Å; H456-L458 HydrophobicContact CB-CD1 3.9Å; H456-L458 HydrophobicContact CB-CD2 4.44Å; H456-L458 HydrophobicContact CB-CG 3.86Å; H456-L458 PolarHBondContact O-N 3.34Å; L458-S460 PolarHBondContact O-N 2.98Å; L458-Y462 HydrophobicContact CB-CD2 4.47Å | ||
| 459 | P | 81.8 | Confident | 87.5 | Confident | 84 Ų | 84 | 64.3 Ų | 64.3 | 55% | 0.545 | 37% | 0.373 | S | S | . | . | trans | -57.6 | 137.7 | 173 | -25.5 | 33.2 | 0 | 0 | 0 | 113 | G461 Y462 | P459-G461 PolarHBondContact O-N 3.28Å; P459-Y462 HydrophobicContact CB-CD2 4.06Å; P459-Y462 HydrophobicContact CB-CE2 4.21Å; P459-Y462 HydrophobicContact CG-CD2 4.2Å; P459-Y462 HydrophobicContact CG-CE2 3.95Å; P459-Y462 WeakPolarHBondContact O-CD2 3.35Å; P459-Y462 PolarHBondContact O-N 2.91Å | ||
| 460 | S | 80.6 | Confident | 87.4 | Confident | 105 Ų | 105 | 64.3 Ų | 64.3 | 73% | 0.734 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -58.8 | -20.4 | -179.5 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | L458 Y462 L463 | L458-S460 PolarHBondContact O-N 2.98Å; S460-Y462 PolarHBondContact O-N 3.42Å; S460-L463 WeakPolarHBondContact O-CB 3.41Å; S460-L463 PolarHBondContact O-N 3.39Å |
| 461 | G | 83.3 | Confident | 87.2 | Confident | 61 Ų | 61 | 63.1 Ų | 63.1 | 63% | 0.629 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -64.4 | -14.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | P459 L463 | P459-G461 PolarHBondContact O-N 3.28Å; G461-L463 VanDerWaalsContact C-N 3.28Å; G461-L463 PolarHBondContact O-N 2.89Å |
| 462 | Y | 86.6 | Confident | 87.1 | Confident | 80 Ų | 80 | 69.2 Ų | 69.2 | 31% | 0.314 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -78.3 | -8.3 | 174.4 | -74 | -71.7 | 0 | 0 | 0 | 113.7 | I428 L458 P459 S460 D464 T465 V466 | I428-Y462 HydrophobicContact CG2-CE1 3.94Å; I428-Y462 HydrophobicContact CG2-CE2 3.98Å; L458-Y462 HydrophobicContact CB-CD2 4.47Å; P459-Y462 HydrophobicContact CB-CD2 4.06Å; P459-Y462 HydrophobicContact CB-CE2 4.21Å; P459-Y462 HydrophobicContact CG-CD2 4.2Å; P459-Y462 HydrophobicContact CG-CE2 3.95Å; P459-Y462 WeakPolarHBondContact O-CD2 3.35Å; P459-Y462 PolarHBondContact O-N 2.91Å; S460-Y462 PolarHBondContact O-N 3.42Å; Y462-D464 PolarHBondContact O-N 3.47Å; Y462-T465 PolarHBondContact O-N 2.88Å; Y462-V466 WeakPolarHBondContact O-CG2 3.41Å; Y462-V466 PolarHBondContact O-N 3.36Å |
| 463 | L | 89.5 | Confident | 86.8 | Confident | 49 Ų | 49 | 72.3 Ų | 72.3 | 26% | 0.257 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -55.2 | -53.6 | -173.1 | -177.3 | 65.3 | 0 | 0 | 0 | 112.7 | W446 A449 H450 I453 S460 G461 T465 V466 A467 | W446-L463 HydrophobicContact CE3-CD1 4.44Å; W446-L463 HydrophobicContact CE3-CD2 4.33Å; W446-L463 HydrophobicContact CE3-CG 3.97Å; W446-L463 HydrophobicContact CZ3-CG 4.24Å; A449-L463 HydrophobicContact CB-CD1 4Å; H450-L463 HydrophobicContact CB-CD1 4.1Å; I453-L463 HydrophobicContact CD1-CB 3.9Å; I453-L463 HydrophobicContact CD1-CD1 4.13Å; I453-L463 VanDerWaalsContact CD1-N 3.3Å; S460-L463 WeakPolarHBondContact O-CB 3.41Å; S460-L463 PolarHBondContact O-N 3.39Å; G461-L463 VanDerWaalsContact C-N 3.28Å; G461-L463 PolarHBondContact O-N 2.89Å; L463-T465 VanDerWaalsContact C-N 3.29Å; L463-T465 PolarHBondContact O-N 3.38Å; L463-V466 PolarHBondContact O-N 3.05Å; L463-A467 VanDerWaalsContact O-CB 3.24Å; L463-A467 WeakPolarHBondContact O-CB 3.2Å; L463-A467 PolarHBondContact O-N 2.83Å |
| 464 | D | 86.2 | Confident | 86.4 | Confident | 91 Ų | 91 | 71.8 Ų | 71.8 | 49% | 0.487 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.1 | -38.8 | 177.3 | -66.3 | -79.5 | 0 | 0 | 0 | 112 | W446 Y462 N468 | W446-D464 WeakPolarHBondContact CH2-OD1 3.3Å; W446-D464 HydrophobicContact CZ3-CB 4.47Å; W446-D464 WeakPolarHBondContact CZ3-OD1 3.45Å; Y462-D464 PolarHBondContact O-N 3.47Å; D464-N468 WeakPolarHBondContact O-CB 3.04Å; D464-N468 VanDerWaalsContact O-CG 3.26Å; D464-N468 PolarHBondContact O-N 2.81Å; D464-N468 PolarHBondContact O-ND2 2.94Å |
| 465 | T | 87.8 | Confident | 85.7 | Confident | 92 Ų | 92 | 66.5 Ų | 66.5 | 56% | 0.564 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -66.9 | -46.8 | -177.8 | -56.9 | 0 | 0 | 0 | 0 | 110.8 | Y462 L463 F469 | Y462-T465 PolarHBondContact O-N 2.88Å; L463-T465 VanDerWaalsContact C-N 3.29Å; L463-T465 PolarHBondContact O-N 3.38Å; T465-F469 VanDerWaalsContact O-CB 3.25Å; T465-F469 WeakPolarHBondContact O-CB 3.43Å; T465-F469 PolarHBondContact O-N 3.2Å |
| 466 | V | 90.7 | Very high | 84.8 | Confident | 5 Ų | 5 | 68.6 Ų | 68.6 | 3% | 0.03 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -70.7 | -43.8 | -179.7 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | L437 A449 F452 Y462 L463 F469 I470 | L437-V466 HydrophobicContact CD1-CG1 3.29Å; A449-V466 HydrophobicContact CB-CB 3.96Å; A449-V466 HydrophobicContact CB-CG1 3.67Å; F452-V466 HydrophobicContact CD1-CG1 3.86Å; F452-V466 HydrophobicContact CD1-CG2 4.19Å; F452-V466 HydrophobicContact CE1-CG1 4.38Å; F452-V466 HydrophobicContact CE1-CG2 4.18Å; Y462-V466 WeakPolarHBondContact O-CG2 3.41Å; Y462-V466 PolarHBondContact O-N 3.36Å; L463-V466 PolarHBondContact O-N 3.05Å; V466-F469 WeakPolarHBondContact O-CB 3.47Å; V466-F469 PolarHBondContact O-N 2.92Å; V466-I470 HydrophobicContact CG1-CD1 4.34Å; V466-I470 WeakPolarHBondContact O-CG1 3.32Å; V466-I470 PolarHBondContact O-N 3.23Å |
| 467 | A | 89.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.2 | -46 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | W446 A449 L463 F469 I470 I471 | W446-A467 HydrophobicContact CB-CB 4.16Å; W446-A467 HydrophobicContact CD2-CB 3.55Å; W446-A467 HydrophobicContact CE3-CB 3.54Å; W446-A467 HydrophobicContact CG-CB 3.91Å; W446-A467 HydrophobicContact CH2-CB 4.34Å; W446-A467 HydrophobicContact CZ2-CB 4.37Å; W446-A467 HydrophobicContact CZ3-CB 3.96Å; A449-A467 HydrophobicContact CB-CB 3.87Å; L463-A467 VanDerWaalsContact O-CB 3.24Å; L463-A467 WeakPolarHBondContact O-CB 3.2Å; L463-A467 PolarHBondContact O-N 2.83Å; A467-F469 VanDerWaalsContact C-N 3.3Å; A467-F469 PolarHBondContact O-N 3.21Å; A467-I470 PolarHBondContact O-N 2.92Å; A467-I471 VanDerWaalsContact O-CG1 3.31Å; A467-I471 WeakPolarHBondContact O-CG1 3.12Å; A467-I471 PolarHBondContact O-N 3.11Å |
| 468 | N | 88.1 | Confident | 82.3 | Confident | 87 Ų | 87 | 65.8 Ų | 65.8 | 47% | 0.465 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.1 | -33 | 175.8 | -74.3 | -51.4 | 0 | 0 | 0 | 112.4 | D464 K472 | D464-N468 WeakPolarHBondContact O-CB 3.04Å; D464-N468 VanDerWaalsContact O-CG 3.26Å; D464-N468 PolarHBondContact O-N 2.81Å; D464-N468 PolarHBondContact O-ND2 2.94Å; N468-K472 WeakPolarHBondContact O-CB 3.32Å; N468-K472 PolarHBondContact O-N 2.92Å |
| 469 | F | 91.3 | Very high | 80.3 | Confident | 64 Ų | 64 | 70.5 Ų | 70.5 | 28% | 0.281 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 172.1 | 173.3 | -89.1 | 0 | 0 | 0 | 111.8 | F424 V426 T465 V466 A467 K472 N473 | F424-F469 HydrophobicContact CB-CE1 3.5Å; F424-F469 HydrophobicContact CB-CZ 4.04Å; F424-F469 HydrophobicContact CD1-CE1 4.28Å; F424-F469 HydrophobicContact CD2-CE1 4.32Å; F424-F469 AromaticContact CG-CE1 3.79Å; F424-F469 HydrophobicContact CG-CE1 3.79Å; F424-F469 HydrophobicContact CG-CZ 4.42Å; V426-F469 HydrophobicContact CG2-CD1 4.13Å; V426-F469 HydrophobicContact CG2-CE1 3.78Å; V426-F469 HydrophobicContact CG2-CZ 4.43Å; T465-F469 VanDerWaalsContact O-CB 3.25Å; T465-F469 WeakPolarHBondContact O-CB 3.43Å; T465-F469 PolarHBondContact O-N 3.2Å; V466-F469 WeakPolarHBondContact O-CB 3.47Å; V466-F469 PolarHBondContact O-N 2.92Å; A467-F469 VanDerWaalsContact C-N 3.3Å; A467-F469 PolarHBondContact O-N 3.21Å; F469-K472 PolarHBondContact O-N 3.36Å; F469-N473 VanDerWaalsContact CD2-ND2 3.31Å; F469-N473 WeakPolarHBondContact CD2-ND2 3.09Å; F469-N473 VanDerWaalsContact CE2-ND2 3.33Å; F469-N473 WeakPolarHBondContact CE2-ND2 3.42Å; F469-N473 WeakPolarHBondContact O-CB 3.49Å; F469-N473 PolarHBondContact O-N 2.87Å; F469-N473 VanDerWaalsContact O-N 3.12Å; F469-N473 PolarHBondContact O-ND2 3.28Å |
| 470 | I | 89.3 | Confident | 78.2 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.9 | -52.4 | 173.9 | -64.2 | 165.8 | 0 | 0 | 0 | 110.1 | F424 L437 Y439 P445 A448 A449 V466 A467 K472 N473 A474 | F424-I470 HydrophobicContact CE2-CG2 4.4Å; L437-I470 HydrophobicContact CD1-CD1 3.95Å; L437-I470 HydrophobicContact CD1-CG1 4.1Å; L437-I470 HydrophobicContact CD2-CD1 3.73Å; L437-I470 HydrophobicContact CD2-CG1 3.82Å; Y439-I470 HydrophobicContact CD1-CG2 3.63Å; Y439-I470 HydrophobicContact CD2-CG2 3.81Å; Y439-I470 HydrophobicContact CE1-CG2 3.64Å; Y439-I470 HydrophobicContact CE2-CG2 3.8Å; Y439-I470 HydrophobicContact CG-CG2 3.74Å; P445-I470 HydrophobicContact CB-CB 4.1Å; P445-I470 HydrophobicContact CB-CG2 3.76Å; P445-I470 HydrophobicContact CG-CG2 4.14Å; A448-I470 HydrophobicContact CB-CD1 3.89Å; A449-I470 HydrophobicContact CB-CD1 4.08Å; V466-I470 HydrophobicContact CG1-CD1 4.34Å; V466-I470 WeakPolarHBondContact O-CG1 3.32Å; V466-I470 PolarHBondContact O-N 3.23Å; A467-I470 PolarHBondContact O-N 2.92Å; I470-K472 VanDerWaalsContact C-N 3.28Å; I470-K472 PolarHBondContact O-N 3.27Å; I470-N473 PolarHBondContact O-N 3.46Å; I470-N473 VanDerWaalsContact O-N 3.15Å; I470-A474 HydrophobicContact CG2-CB 4.3Å; I470-A474 WeakPolarHBondContact O-CB 3.29Å; I470-A474 PolarHBondContact O-N 2.88Å |
| 471 | I | 86.4 | Confident | 75.9 | Confident | 73 Ų | 73 | 71.5 Ų | 71.5 | 37% | 0.374 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.6 | -42.8 | -178.3 | -67.8 | 163.4 | 0 | 0 | 0 | 111.2 | P445 A467 | P445-I471 HydrophobicContact CB-CD1 4.28Å; P445-I471 HydrophobicContact CB-CG1 3.74Å; P445-I471 HydrophobicContact CG-CG1 3.84Å; A467-I471 VanDerWaalsContact O-CG1 3.31Å; A467-I471 WeakPolarHBondContact O-CG1 3.12Å; A467-I471 PolarHBondContact O-N 3.11Å |
| 472 | K | 87.1 | Confident | 73.4 | Confident | 177 Ų | 177 | 72.7 Ų | 72.7 | 77% | 0.77 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -66 | -37.4 | 179.9 | -176.3 | -179.3 | 176.9 | -174.2 | 0 | 112.7 | N468 F469 I470 | N468-K472 WeakPolarHBondContact O-CB 3.32Å; N468-K472 PolarHBondContact O-N 2.92Å; F469-K472 PolarHBondContact O-N 3.36Å; I470-K472 VanDerWaalsContact C-N 3.28Å; I470-K472 PolarHBondContact O-N 3.27Å |
| 473 | N | 86.8 | Confident | 70.8 | Confident | 76 Ų | 76 | 72.8 Ų | 72.8 | 41% | 0.406 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -98.2 | -28.8 | -172.2 | -68.2 | -74.9 | 0 | 0 | 0 | 114.1 | F424 F469 I470 | F424-N473 HydrophobicContact CD1-CB 4Å; F424-N473 HydrophobicContact CE1-CB 3.4Å; F424-N473 VanDerWaalsContact CE1-CB 3.4Å; F424-N473 HydrophobicContact CZ-CB 3.82Å; F469-N473 VanDerWaalsContact CD2-ND2 3.31Å; F469-N473 WeakPolarHBondContact CD2-ND2 3.09Å; F469-N473 VanDerWaalsContact CE2-ND2 3.33Å; F469-N473 WeakPolarHBondContact CE2-ND2 3.42Å; F469-N473 WeakPolarHBondContact O-CB 3.49Å; F469-N473 PolarHBondContact O-N 2.87Å; F469-N473 VanDerWaalsContact O-N 3.12Å; F469-N473 PolarHBondContact O-ND2 3.28Å; I470-N473 PolarHBondContact O-N 3.46Å; I470-N473 VanDerWaalsContact O-N 3.15Å |
| 474 | A | 79.4 | Confident | 67.9 | Low | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.008 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -84.9 | -21.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | F422 F424 Y439 R441 I470 | F422-A474 HydrophobicContact CD2-CB 3.82Å; F422-A474 HydrophobicContact CE2-CB 3.57Å; F422-A474 WeakPolarHBondContact CE2-O 3.27Å; F422-A474 HydrophobicContact CZ-CB 4.24Å; F422-A474 WeakPolarHBondContact CZ-O 3.43Å; F424-A474 HydrophobicContact CE2-CB 4.23Å; F424-A474 HydrophobicContact CZ-CB 3.83Å; Y439-A474 HydrophobicContact CD1-CB 3.65Å; Y439-A474 HydrophobicContact CE1-CB 3.41Å; Y439-A474 VanDerWaalsContact CE1-CB 3.41Å; R441-A474 PolarHBondContact NE-O 2.94Å; R441-A474 PolarHBondContact NH2-O 3.14Å; I470-A474 HydrophobicContact CG2-CB 4.3Å; I470-A474 WeakPolarHBondContact O-CB 3.29Å; I470-A474 PolarHBondContact O-N 2.88Å |
| 475 | G | 72.7 | Confident | 65.2 | Low | 26 Ų | 26 | 75.5 Ų | 75.5 | 27% | 0.268 | 43% | 0.428 | S | S | . | . | trans | 79.4 | -172.2 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 476 | P | 66.4 | Low | 62.4 | Low | 106 Ų | 106 | 77.6 Ų | 77.6 | 69% | 0.688 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -61 | 143.4 | 176.6 | 24.4 | -31.5 | 0 | 0 | 0 | 110.7 | I478 | P476-I478 PolarHBondContact O-N 3.46Š|
| 477 | P | 60 | Low | 59.6 | Low | 83 Ų | 83 | 80.4 Ų | 80.4 | 54% | 0.539 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 138.7 | 173.1 | -21.1 | 30.5 | 0 | 0 | 0 | 110.6 | R441 | R441-P477 CarbonylContact O-C 3.51Å; R441-P477 VanDerWaalsContact O-CA 3.29Å; R441-P477 WeakPolarHBondContact O-CA 3.27Å |
| 478 | I | 59.8 | Low | 57.1 | Low | 89 Ų | 89 | 87.7 Ų | 87.7 | 46% | 0.456 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -98.1 | 125.4 | 170.5 | -65 | 175 | 0 | 0 | 0 | 106 | R441 T442 P476 | R441-I478 CarbonylContact C-O 3.58Å; R441-I478 HydrophobicContact CB-CB 3.89Å; R441-I478 HydrophobicContact CB-CD1 4.22Å; R441-I478 HydrophobicContact CB-CG1 4.06Å; R441-I478 HydrophobicContact CG-CD1 4.4Å; R441-I478 PolarHBondContact O-N 3.25Å; R441-I478 VanDerWaalsContact O-O 3.11Å; T442-I478 VanDerWaalsContact CA-O 3.3Å; T442-I478 WeakPolarHBondContact CA-O 3.43Å; P476-I478 PolarHBondContact O-N 3.46Å |
| 479 | D | 44 | Very low | 54.4 | Low | 132 Ų | 132 | 86.7 Ų | 86.7 | 71% | 0.706 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -53 | 129.1 | 173.6 | -70.3 | -42.3 | 0 | 0 | 0 | 109.4 | V481 | D479-V481 PolarHBondContact O-N 3.03Š|
| 480 | P | 36.6 | Very low | 51.8 | Low | 61 Ų | 61 | 85.6 Ų | 85.6 | 40% | 0.396 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -51.4 | 137.8 | 178.8 | 7.8 | -16.5 | 0 | 0 | 0 | 111.3 | T442 V482 | T442-P480 HydrophobicContact CG2-CB 3.71Å; T442-P480 HydrophobicContact CG2-CG 4.47Å; P480-V482 HydrophobicContact CB-CG2 3.65Å; P480-V482 HydrophobicContact CG-CG2 3.74Å; P480-V482 PolarHBondContact O-N 3.24Å |
| 481 | V | 32.8 | Very low | 49.1 | Very low | 149 Ų | 149 | 91.6 Ų | 91.6 | 90% | 0.903 | 53% | 0.525 | S | S | * | . | trans | -66.5 | 79.5 | 157.6 | -178 | 0 | 0 | 0 | 0 | 105.8 | D479 S483 | D479-V481 PolarHBondContact O-N 3.03Å; V481-S483 PolarHBondContact O-N 2.97Å | ||
| 482 | V | 31.4 | Very low | 46.7 | Very low | 85 Ų | 85 | 97 Ų | 97 | 52% | 0.515 | 55% | 0.546 | S | S | . | . | trans | -73.1 | 111 | 175.9 | -177.1 | 0 | 0 | 0 | 0 | 106.1 | P480 N484 | P480-V482 HydrophobicContact CB-CG2 3.65Å; P480-V482 HydrophobicContact CG-CG2 3.74Å; P480-V482 PolarHBondContact O-N 3.24Å; V482-N484 PolarHBondContact O-N 3.42Å; V482-N484 VanDerWaalsContact O-N 3.11Å | ||
| 483 | S | 31.2 | Very low | 44.6 | Very low | 82 Ų | 82 | 92.2 Ų | 92.2 | 57% | 0.573 | 53% | 0.532 | S | S | * | . | trans | -36.6 | 113.5 | 156.1 | 45 | 0 | 0 | 0 | 0 | 110.5 | V481 D485 | V481-S483 PolarHBondContact O-N 2.97Å; S483-D485 PolarHBondContact O-N 3.2Å | ||
| 484 | N | 27.8 | Very low | 42.2 | Very low | 61 Ų | 61 | 90.6 Ų | 90.6 | 33% | 0.326 | 53% | 0.534 | S | S | . | . | S | Bend | trans | 4.9 | 81.5 | 159.8 | -120.2 | 37.9 | 0 | 0 | 0 | 114.9 | S16 R34 Y62 V482 | S16-N484 WeakPolarHBondContact CB-ND2 3.27Å; S16-N484 PolarHBondContact OG-ND2 2.93Å; S16-N484 PolarHBondContact OG-OD1 2.72Å; R34-N484 PolarHBondContact O-ND2 2.8Å; R34-N484 VanDerWaalsContact O-ND2 3.08Å; Y62-N484 HydrophobicContact CE1-CB 3.81Å; Y62-N484 WeakPolarHBondContact OH-CB 3.45Å; Y62-N484 PolarHBondContact OH-O 2.76Å; V482-N484 PolarHBondContact O-N 3.42Å; V482-N484 VanDerWaalsContact O-N 3.11Å |
| 485 | D | 30.1 | Very low | 40 | Very low | 136 Ų | 136 | 94 Ų | 94 | 73% | 0.727 | 56% | 0.561 | S | S | * | * | trans | -136.2 | 128.3 | 147.1 | -103.6 | -24.3 | 0 | 0 | 0 | 106.2 | S483 S487 | S483-D485 PolarHBondContact O-N 3.2Å; D485-S487 PolarHBondContact O-N 2.81Å | ||
| 486 | L | 28.9 | Very low | 38.4 | Very low | 136 Ų | 136 | 99.2 Ų | 99.2 | 71% | 0.712 | 58% | 0.579 | S | S | * | * | trans | -52.6 | 97.4 | -171.8 | -72.7 | 124 | 0 | 0 | 0 | 112.2 | F503 | L486-F503 HydrophobicContact CD1-CE2 4.13Å; L486-F503 HydrophobicContact CD1-CZ 4.21Å | ||
| 487 | S | 31.4 | Very low | 37.3 | Very low | 65 Ų | 65 | 98 Ų | 98 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | trans | -149 | 98.1 | 161.6 | 55.8 | 0 | 0 | 0 | 0 | 110.8 | D485 S489 | D485-S487 PolarHBondContact O-N 2.81Å; S487-S489 PolarHBondContact O-N 3.29Å | ||
| 488 | H | 37.1 | Very low | 36.3 | Very low | 152 Ų | 152 | 94.8 Ų | 94.8 | 70% | 0.704 | 54% | 0.537 | S | S | * | . | trans | -65.9 | 100.6 | 166.7 | -82.7 | -79.8 | 0 | 0 | 0 | 109.2 | I499 | H488-I499 HydrophobicContact CB-CD1 3.91Š| ||
| 489 | S | 32.9 | Very low | 35.7 | Very low | 66 Ų | 66 | 93.2 Ų | 93.2 | 46% | 0.462 | 53% | 0.529 | S | S | . | . | trans | -72.7 | 122.6 | 164 | -77 | 0 | 0 | 0 | 0 | 109.8 | S487 | S487-S489 PolarHBondContact O-N 3.29Š| ||
| 490 | D | 36.7 | Very low | 35.4 | Very low | 42 Ų | 42 | 87.1 Ų | 87.1 | 23% | 0.225 | 50% | 0.497 | C | S | . | . | trans | -99.2 | 132.5 | 171.2 | 170.9 | -11.8 | 0 | 0 | 0 | 107.4 | F492 T493 R497 | D490-F492 PolarHBondContact O-N 2.95Å; D490-F492 WeakPolarHBondContact OD1-CD2 3.5Å; D490-F492 PolarHBondContact OD1-N 2.8Å; D490-T493 PolarHBondContact O-N 2.91Å; D490-R497 IonicContact OD2-CZ 2.72Å; D490-R497 IonicContact OD2-NH1 3.47Å; D490-R497 PolarHBondContact OD2-NH1 3.5Å; D490-R497 IonicContact OD2-NH2 3.14Å | ||
| 491 | P | 32.1 | Very low | 35.8 | Very low | 125 Ų | 125 | 86.7 Ų | 86.7 | 81% | 0.812 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -3.5 | -174.6 | 22.8 | -33.5 | 0 | 0 | 0 | 114.9 | ||
| 492 | F | 34.5 | Very low | 35.8 | Very low | 186 Ų | 186 | 81.9 Ų | 81.9 | 82% | 0.816 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -7.2 | 174.3 | -61.5 | -78.9 | 0 | 0 | 0 | 115.2 | D490 | D490-F492 PolarHBondContact O-N 2.95Å; D490-F492 WeakPolarHBondContact OD1-CD2 3.5Å; D490-F492 PolarHBondContact OD1-N 2.8Å |
| 493 | T | 44.4 | Very low | 35.9 | Very low | 77 Ų | 77 | 83.8 Ų | 83.8 | 47% | 0.472 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.5 | -0.8 | -170.6 | 64.6 | 0 | 0 | 0 | 0 | 118.9 | D490 | D490-T493 PolarHBondContact O-N 2.91Š|
| 494 | G | 36.4 | Very low | 35.9 | Very low | 43 Ų | 43 | 84.6 Ų | 84.6 | 44% | 0.443 | 47% | 0.472 | S | S | . | . | trans | 68.2 | 171.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | H496 | G494-H496 PolarHBondContact O-N 2.92Š| ||
| 495 | A | 32.6 | Very low | 36.1 | Very low | 71 Ų | 71 | 82.7 Ų | 82.7 | 59% | 0.587 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -63.2 | -7.9 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | R497 | A495-R497 PolarHBondContact O-N 2.85Š|
| 496 | H | 39.5 | Very low | 36 | Very low | 137 Ų | 137 | 81.5 Ų | 81.5 | 63% | 0.634 | 46% | 0.461 | S | S | * | . | trans | -97.9 | 36.3 | -180 | -61.4 | -65.4 | 0 | 0 | 0 | 112.8 | G494 Y498 K541 | G494-H496 PolarHBondContact O-N 2.92Å; H496-Y498 PolarHBondContact O-N 3.21Å; H496-K541 WeakPolarHBondContact O-CD 3.22Å; H496-K541 VanDerWaalsContact O-CE 3.24Å; H496-K541 WeakPolarHBondContact O-CE 3.28Å; H496-K541 PolarHBondContact O-NZ 2.9Å | ||
| 497 | R | 42.4 | Very low | 36.1 | Very low | 79 Ų | 79 | 78.2 Ų | 78.2 | 30% | 0.298 | 45% | 0.447 | S | S | . | . | trans | -80.8 | 104.5 | -179.4 | -167.3 | -176.8 | -169.3 | 165.3 | 19.1 | 110.5 | D490 A495 I499 | D490-R497 IonicContact OD2-CZ 2.72Å; D490-R497 IonicContact OD2-NH1 3.47Å; D490-R497 PolarHBondContact OD2-NH1 3.5Å; D490-R497 IonicContact OD2-NH2 3.14Å; A495-R497 PolarHBondContact O-N 2.85Å; R497-I499 HydrophobicContact CG-CG1 4.1Å; R497-I499 PolarHBondContact O-N 2.83Å | ||
| 498 | Y | 40 | Very low | 35.7 | Very low | 16 Ų | 16 | 81.1 Ų | 81.1 | 6% | 0.063 | 46% | 0.461 | C | S | . | . | trans | -61.3 | 118.4 | 160 | 162.2 | -88.4 | 0 | 0 | 0 | 109.2 | H496 P500 L538 F594 D598 L639 | H496-Y498 PolarHBondContact O-N 3.21Å; Y498-P500 HydrophobicContact CE1-CB 4.47Å; Y498-P500 HydrophobicContact CE1-CG 3.68Å; Y498-P500 VanDerWaalsContact OH-CA 3.32Å; Y498-P500 WeakPolarHBondContact OH-CA 3.33Å; Y498-P500 WeakPolarHBondContact OH-CB 3.31Å; Y498-P500 WeakPolarHBondContact OH-CG 3.4Å; Y498-L538 HydrophobicContact CD2-CB 3.85Å; Y498-L538 HydrophobicContact CD2-CG 4.3Å; Y498-L538 HydrophobicContact CE2-CB 3.77Å; Y498-L538 HydrophobicContact CE2-CD1 3.97Å; Y498-L538 HydrophobicContact CE2-CG 3.98Å; Y498-F594 AromaticContact CD1-CD2 3.19Å; Y498-F594 HydrophobicContact CD1-CD2 3.19Å; Y498-F594 AromaticContact CD1-CE2 3.34Å; Y498-F594 HydrophobicContact CD1-CE2 3.34Å; Y498-F594 HydrophobicContact CD1-CG 4.4Å; Y498-F594 AromaticContact CE1-CD2 3.71Å; Y498-F594 HydrophobicContact CE1-CD2 3.71Å; Y498-F594 HydrophobicContact CE1-CE2 4.29Å; Y498-F594 HydrophobicContact CG-CD2 4.15Å; Y498-F594 AromaticContact CG-CE2 3.89Å; Y498-F594 HydrophobicContact CG-CE2 3.89Å; Y498-D598 HydrophobicContact CE1-CB 4.19Å; Y498-D598 WeakPolarHBondContact OH-CB 3.14Å; Y498-D598 PolarHBondContact OH-OD1 3.34Å; Y498-D598 PolarHBondContact OH-OD2 2.82Å; Y498-L639 HydrophobicContact CE1-CD1 4.47Å | ||
| 499 | I | 46.1 | Very low | 35.2 | Very low | 56 Ų | 56 | 81.5 Ų | 81.5 | 29% | 0.287 | 46% | 0.461 | S | S | . | . | trans | -112.3 | 118.6 | 172.5 | -59.1 | 173 | 0 | 0 | 0 | 106.3 | H488 R497 N501 | H488-I499 HydrophobicContact CB-CD1 3.91Å; R497-I499 HydrophobicContact CG-CG1 4.1Å; R497-I499 PolarHBondContact O-N 2.83Å; I499-N501 PolarHBondContact O-N 2.89Å | ||
| 500 | P | 39.1 | Very low | 34.8 | Very low | 5 Ų | 5 | 83.9 Ų | 83.9 | 3% | 0.032 | 48% | 0.478 | C | S | . | . | trans | -55.5 | 117.4 | 175.3 | -20.5 | 28.6 | 0 | 0 | 0 | 110.5 | Y498 L638 L639 R642 | Y498-P500 HydrophobicContact CE1-CB 4.47Å; Y498-P500 HydrophobicContact CE1-CG 3.68Å; Y498-P500 VanDerWaalsContact OH-CA 3.32Å; Y498-P500 WeakPolarHBondContact OH-CA 3.33Å; Y498-P500 WeakPolarHBondContact OH-CB 3.31Å; Y498-P500 WeakPolarHBondContact OH-CG 3.4Å; P500-L638 HydrophobicContact CB-CD2 4.2Å; P500-L638 HydrophobicContact CG-CD2 3.95Å; P500-L639 HydrophobicContact CB-CD2 3.65Å; P500-L639 HydrophobicContact CG-CD1 4.27Å; P500-L639 HydrophobicContact CG-CD2 3.46Å; P500-L639 VanDerWaalsContact CG-CD2 3.46Å; P500-L639 HydrophobicContact CG-CG 3.85Å; P500-R642 PolarHBondContact O-NH1 3.16Å; P500-R642 PolarHBondContact O-NH2 3.45Å | ||
| 501 | N | 44.2 | Very low | 34.3 | Very low | 51 Ų | 51 | 88.3 Ų | 88.3 | 27% | 0.273 | 51% | 0.506 | S | S | . | . | trans | -38 | 135.7 | -171.9 | -91.8 | -11 | 0 | 0 | 0 | 115.5 | I499 S534 R642 | I499-N501 PolarHBondContact O-N 2.89Å; N501-S534 PolarHBondContact ND2-OG 2.7Å; N501-R642 VanDerWaalsContact O-CZ 3.23Å; N501-R642 PolarHBondContact O-NH1 2.95Å; N501-R642 PolarHBondContact O-NH2 3.45Å | ||
| 502 | S | 33.4 | Very low | 34 | Very low | 48 Ų | 48 | 88.6 Ų | 88.6 | 34% | 0.336 | 51% | 0.506 | S | S | . | . | trans | -114.6 | 67 | 176.1 | 46.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 503 | F | 32.3 | Very low | 33.6 | Very low | 125 Ų | 125 | 87.2 Ų | 87.2 | 55% | 0.548 | 51% | 0.507 | S | S | . | . | trans | -135.5 | 124.5 | 174.3 | -79.2 | -81 | 0 | 0 | 0 | 112.1 | L486 | L486-F503 HydrophobicContact CD1-CE2 4.13Å; L486-F503 HydrophobicContact CD1-CZ 4.21Å | ||
| 504 | S | 31.9 | Very low | 32.6 | Very low | 99 Ų | 99 | 87.6 Ų | 87.6 | 69% | 0.692 | 53% | 0.526 | S | S | * | . | trans | 30.8 | 116.2 | 160.5 | -160.4 | 0 | 0 | 0 | 0 | 119.6 | T506 | S504-T506 PolarHBondContact O-N 3Š| ||
| 505 | S | 32.5 | Very low | 32.2 | Very low | 21 Ų | 21 | 91.1 Ų | 91.1 | 15% | 0.147 | 54% | 0.539 | C | S | . | . | trans | -66.7 | 120.6 | 163.9 | -44.8 | 0 | 0 | 0 | 0 | 110.4 | V507 E776 | S505-V507 PolarHBondContact O-N 2.88Å; S505-E776 VanDerWaalsContact CB-OE1 3.23Å; S505-E776 WeakPolarHBondContact CB-OE1 3.41Å; S505-E776 PolarHBondContact OG-OE1 3.22Å | ||
| 506 | T | 26.9 | Very low | 31.9 | Very low | 112 Ų | 112 | 93.4 Ų | 93.4 | 69% | 0.687 | 55% | 0.551 | S | S | * | * | trans | -76 | 103.6 | 170.1 | 15.8 | 0 | 0 | 0 | 0 | 110.2 | S504 | S504-T506 PolarHBondContact O-N 3Š| ||
| 507 | V | 30.9 | Very low | 31.4 | Very low | 67 Ų | 67 | 92.4 Ų | 92.4 | 41% | 0.406 | 55% | 0.554 | S | S | . | * | trans | -97.9 | 97.3 | 160.7 | -179.1 | 0 | 0 | 0 | 0 | 107.7 | S505 K509 | S505-V507 PolarHBondContact O-N 2.88Å; V507-K509 HydrophobicContact CG1-CG 4.35Å; V507-K509 PolarHBondContact O-N 3.01Å | ||
| 508 | T | 23.9 | Very low | 31.5 | Very low | 125 Ų | 125 | 93.8 Ų | 93.8 | 77% | 0.767 | 58% | 0.576 | S | S | * | * | trans | -74.9 | 99.9 | 170.1 | 40.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 509 | K | 26.7 | Very low | 32.4 | Very low | 160 Ų | 160 | 98 Ų | 98 | 70% | 0.696 | 60% | 0.603 | S | S | * | * | trans | -93 | 112 | 160.7 | -81.5 | -175.6 | 176.3 | -178.4 | 0 | 108.6 | V507 T511 | V507-K509 HydrophobicContact CG1-CG 4.35Å; V507-K509 PolarHBondContact O-N 3.01Å; K509-T511 PolarHBondContact O-N 3Å | ||
| 510 | S | 25.3 | Very low | 34.1 | Very low | 116 Ų | 116 | 98.3 Ų | 98.3 | 81% | 0.811 | 61% | 0.611 | S | S | * | * | trans | -71.3 | 108.2 | 166.8 | 53.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 511 | T | 25.4 | Very low | 36.3 | Very low | 135 Ų | 135 | 101.3 Ų | 101.3 | 83% | 0.828 | 62% | 0.622 | S | S | * | * | trans | -85.9 | 108.2 | 172 | 37.2 | 0 | 0 | 0 | 0 | 110.7 | K509 | K509-T511 PolarHBondContact O-N 3Š| ||
| 512 | T | 25.6 | Very low | 38.4 | Very low | 131 Ų | 131 | 99 Ų | 99 | 80% | 0.804 | 61% | 0.609 | S | S | * | * | trans | -93.4 | 118.3 | 158.8 | 33.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 513 | N | 25.4 | Very low | 41.1 | Very low | 158 Ų | 158 | 99.5 Ų | 99.5 | 85% | 0.845 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 40.1 | 101.1 | 155.2 | -63.2 | -11.6 | 0 | 0 | 0 | 120.2 | ||
| 514 | G | 23.9 | Very low | 44 | Very low | 84 Ų | 84 | 94 Ų | 94 | 87% | 0.866 | 59% | 0.589 | S | S | * | * | 47.8 | 74.5 | 126.3 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 515 | V | 28.9 | Very low | 46.8 | Very low | 118 Ų | 118 | 94.2 Ų | 94.2 | 72% | 0.715 | 58% | 0.582 | S | S | * | * | trans | -148.7 | 143.5 | 145.9 | -178.4 | 0 | 0 | 0 | 0 | 106 | V517 | V515-V517 WeakPolarHBondContact O-CG2 3.41Å; V515-V517 PolarHBondContact O-N 2.85Å | ||
| 516 | S | 25.7 | Very low | 49.7 | Very low | 119 Ų | 119 | 96.1 Ų | 96.1 | 83% | 0.832 | 59% | 0.593 | S | S | * | * | trans | -60.1 | 91.5 | 175.3 | 53.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 517 | V | 29.7 | Very low | 52.9 | Low | 115 Ų | 115 | 92.1 Ų | 92.1 | 70% | 0.697 | 57% | 0.566 | S | S | * | * | trans | -92.2 | 119.2 | 178.2 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | V515 T519 | V515-V517 WeakPolarHBondContact O-CG2 3.41Å; V515-V517 PolarHBondContact O-N 2.85Å; V517-T519 PolarHBondContact O-N 2.91Å | ||
| 518 | S | 43.8 | Very low | 55.8 | Low | 108 Ų | 108 | 89.1 Ų | 89.1 | 76% | 0.755 | 55% | 0.547 | S | S | * | . | trans | -52 | 113.3 | 163.2 | 55.1 | 0 | 0 | 0 | 0 | 108.9 | S520 | S518-S520 PolarHBondContact O-N 2.91Š| ||
| 519 | T | 58.4 | Low | 59.1 | Low | 104 Ų | 104 | 84.4 Ų | 84.4 | 64% | 0.638 | 52% | 0.52 | S | S | * | . | trans | -66.3 | 97 | -179.2 | 23.5 | 0 | 0 | 0 | 0 | 109.9 | V517 | V517-T519 PolarHBondContact O-N 2.91Š| ||
| 520 | S | 81.9 | Confident | 62.1 | Low | 64 Ų | 64 | 77.8 Ų | 77.8 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | trans | -74.2 | 126.6 | 169.3 | -158.8 | 0 | 0 | 0 | 0 | 109.6 | S518 F522 Q867 | S518-S520 PolarHBondContact O-N 2.91Å; S520-F522 PolarHBondContact OG-O 3.35Å; S520-Q867 PolarHBondContact OG-NE2 2.77Å | ||
| 521 | Y | 86.2 | Confident | 65.1 | Low | 67 Ų | 67 | 76.5 Ų | 76.5 | 26% | 0.263 | 47% | 0.471 | S | S | . | . | trans | -83.5 | -27.9 | 177.8 | -69.3 | -89 | 0 | 0 | 0 | 112.5 | V783 A863 C864 Q867 | Y521-V783 WeakPolarHBondContact O-CG1 3.27Å; Y521-A863 HydrophobicContact CE2-CB 3.88Å; Y521-A863 VanDerWaalsContact OH-CB 3.3Å; Y521-A863 WeakPolarHBondContact OH-CB 3.39Å; Y521-C864 HydrophobicContact CD1-CB 3.88Å; Y521-C864 HydrophobicContact CD2-CB 4.21Å; Y521-C864 HydrophobicContact CE1-CB 4.16Å; Y521-C864 HydrophobicContact CE2-CB 4.48Å; Y521-C864 HydrophobicContact CG-CB 3.91Å; Y521-Q867 HydrophobicContact CD2-CB 4.45Å; Y521-Q867 VanDerWaalsContact CD2-OE1 3.29Å | ||
| 522 | F | 88.6 | Confident | 67.8 | Low | 2 Ų | 2 | 72.8 Ų | 72.8 | 1% | 0.009 | 45% | 0.451 | C | S | . | . | trans | -137.8 | 157.3 | 177.1 | 35 | -107.1 | 0 | 0 | 0 | 111.4 | S520 L790 Q867 L868 I871 | S520-F522 PolarHBondContact OG-O 3.35Å; F522-L790 HydrophobicContact CB-CD1 4.4Å; F522-L790 HydrophobicContact CD2-CD1 3.75Å; F522-L790 HydrophobicContact CG-CD1 4.49Å; F522-Q867 HydrophobicContact CE2-CB 4.42Å; F522-Q867 HydrophobicContact CE2-CG 3.86Å; F522-Q867 HydrophobicContact CZ-CB 3.83Å; F522-Q867 HydrophobicContact CZ-CG 3.78Å; F522-L868 HydrophobicContact CE1-CB 4.1Å; F522-L868 HydrophobicContact CZ-CB 3.99Å; F522-L868 HydrophobicContact CZ-CD1 4.48Å; F522-I871 HydrophobicContact CD2-CD1 3.98Å; F522-I871 HydrophobicContact CE2-CD1 3.37Å; F522-I871 HydrophobicContact CE2-CG1 4.32Å; F522-I871 HydrophobicContact CZ-CD1 4.39Å | ||
| 523 | P | 90.1 | Very high | 70.6 | Confident | 59 Ų | 59 | 68.1 Ų | 68.1 | 38% | 0.383 | 42% | 0.421 | S | S | . | . | S | Bend | cis | -70.8 | 146.1 | -4 | 32.9 | -34 | 0 | 0 | 0 | 111.4 | H729 T787 | P523-H729 WeakPolarHBondContact CB-CE1 3.24Å; P523-H729 WeakPolarHBondContact CB-NE2 3.47Å; P523-H729 WeakPolarHBondContact CG-CE1 3.2Å; P523-H729 WeakPolarHBondContact CG-NE2 3.43Å; P523-T787 HydrophobicContact CB-CG2 4.17Å |
| 524 | S | 91.9 | Very high | 73.4 | Confident | 11 Ų | 11 | 62.9 Ų | 62.9 | 8% | 0.077 | 40% | 0.396 | C | S | . | . | trans | -87.6 | 142.9 | 169 | -176.5 | 0 | 0 | 0 | 0 | 110.8 | T526 Y722 H729 T787 | S524-T526 PolarHBondContact OG-N 2.87Å; S524-Y722 WeakPolarHBondContact CB-OH 3.28Å; S524-Y722 PolarHBondContact OG-OH 2.65Å; S524-H729 PolarHBondContact O-CD2 3.2Å; S524-T787 PolarHBondContact N-OG1 3.4Å; S524-T787 VanDerWaalsContact N-OG1 3.12Å | ||
| 525 | D | 91.9 | Very high | 76.5 | Confident | 102 Ų | 102 | 60.7 Ų | 60.7 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | trans | -119.2 | 0.5 | 179.8 | 63.1 | 0.6 | 0 | 0 | 0 | 113.3 | L730 | D525-L730 HydrophobicContact CB-CD2 3.99Š| ||
| 526 | T | 92.3 | Very high | 79.2 | Confident | 62 Ų | 62 | 60.7 Ų | 60.7 | 38% | 0.38 | 36% | 0.36 | S | S | . | . | trans | -115.4 | 125.6 | -171.5 | -60.4 | 0 | 0 | 0 | 0 | 109.9 | S524 Y722 | S524-T526 PolarHBondContact OG-N 2.87Å; T526-Y722 VanDerWaalsContact O-CE1 3.24Å; T526-Y722 WeakPolarHBondContact O-CE1 3.37Å | ||
| 527 | F | 94 | Very high | 82.1 | Confident | 28 Ų | 28 | 58.5 Ų | 58.5 | 12% | 0.123 | 34% | 0.343 | C | S | . | . | trans | -77.9 | 143.7 | 176.7 | -67.2 | -94.9 | 0 | 0 | 0 | 111.8 | L648 A649 P653 N723 V726 L727 L730 | F527-L648 HydrophobicContact CD1-CB 4.34Å; F527-L648 HydrophobicContact CE1-CB 4.43Å; F527-A649 HydrophobicContact CB-CB 4.09Å; F527-P653 HydrophobicContact CD2-CG 3.61Å; F527-P653 HydrophobicContact CE2-CG 4Å; F527-P653 HydrophobicContact CG-CG 4.32Å; F527-N723 HydrophobicContact CD1-CB 3.98Å; F527-N723 WeakPolarHBondContact CE1-O 3.24Å; F527-V726 HydrophobicContact CD1-CB 4.47Å; F527-V726 HydrophobicContact CD1-CG1 4.3Å; F527-V726 HydrophobicContact CD2-CG1 3.97Å; F527-V726 HydrophobicContact CE1-CB 4.33Å; F527-V726 HydrophobicContact CE1-CG1 4.16Å; F527-V726 HydrophobicContact CE2-CG1 3.84Å; F527-V726 HydrophobicContact CG-CG1 4.21Å; F527-V726 HydrophobicContact CZ-CG1 3.94Å; F527-L727 HydrophobicContact CE1-CB 3.99Å; F527-L727 HydrophobicContact CZ-CB 4.05Å; F527-L727 HydrophobicContact CZ-CD1 4.25Å; F527-L730 HydrophobicContact CE2-CD1 3.68Å; F527-L730 HydrophobicContact CZ-CD1 4.24Å | ||
| 528 | I | 92.3 | Very high | 85 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 31% | 0.31 | C | S | . | . | trans | -92.7 | 131.9 | 174.7 | -64.4 | 170.2 | 0 | 0 | 0 | 109.6 | V645 A649 N719 Y722 N723 H780 | I528-V645 WeakPolarHBondContact O-CG1 3.45Å; I528-A649 WeakPolarHBondContact O-CB 3.42Å; I528-N719 HydrophobicContact CG2-CB 4.47Å; I528-Y722 HydrophobicContact CD1-CD1 3.48Å; I528-Y722 VanDerWaalsContact CD1-CD1 3.48Å; I528-Y722 HydrophobicContact CD1-CD2 4.16Å; I528-Y722 HydrophobicContact CD1-CE1 3.48Å; I528-Y722 VanDerWaalsContact CD1-CE1 3.48Å; I528-Y722 HydrophobicContact CD1-CE2 4.11Å; I528-Y722 HydrophobicContact CD1-CG 3.83Å; I528-Y722 HydrophobicContact CG1-CD1 3.86Å; I528-Y722 HydrophobicContact CG1-CE1 3.59Å; I528-N723 PolarHBondContact N-OD1 3.45Å; I528-N723 PolarHBondContact O-ND2 3.48Å; I528-H780 VanDerWaalsContact CD1-CE1 3.46Å; I528-H780 WeakPolarHBondContact CD1-CE1 3.26Å | ||
| 529 | S | 92.4 | Very high | 87.4 | Confident | 26 Ų | 26 | 47.9 Ų | 47.9 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | trans | -113 | 147.1 | 174 | 72.5 | 0 | 0 | 0 | 0 | 111.9 | K531 | S529-K531 WeakPolarHBondContact OG-CE 3.4Š| ||
| 530 | M | 91 | Very high | 88.9 | Confident | 22 Ų | 22 | 46.7 Ų | 46.7 | 11% | 0.108 | 27% | 0.267 | C | S | . | . | trans | -115.4 | 75 | 174.8 | -62 | -176.9 | 76.1 | 0 | 0 | 108.1 | R601 R642 V645 N646 A716 | M530-R601 PolarHBondContact O-NH1 2.91Å; M530-R642 HydrophobicContact CE-CG 3.81Å; M530-R642 HydrophobicContact SD-CB 4.48Å; M530-R642 HydrophobicContact SD-CG 3.86Å; M530-V645 HydrophobicContact CG-CG1 3.94Å; M530-V645 HydrophobicContact SD-CB 4.34Å; M530-V645 HydrophobicContact SD-CG1 4.09Å; M530-V645 HydrophobicContact SD-CG2 4.33Å; M530-N646 WeakPolarHBondContact CA-OD1 3.31Å; M530-N646 PolarHBondContact N-OD1 2.89Å; M530-N646 PolarHBondContact O-ND2 3.11Å; M530-N646 PolarHBondContact O-OD1 2.68Å; M530-A716 HydrophobicContact SD-CB 4.39Å | ||
| 531 | K | 87.7 | Confident | 89.3 | Confident | 88 Ų | 88 | 45 Ų | 45 | 38% | 0.383 | 25% | 0.252 | S | S | . | . | trans | -93.4 | -19 | -173.7 | -70 | 175.9 | -179.6 | 179.6 | 0 | 114.6 | S529 I533 I566 F605 | S529-K531 WeakPolarHBondContact OG-CE 3.4Å; K531-I533 PolarHBondContact O-N 2.75Å; K531-I566 HydrophobicContact CB-CD1 3.77Å; K531-I566 HydrophobicContact CD-CD1 3.99Å; K531-I566 HydrophobicContact CG-CD1 3.67Å; K531-F605 HydrophobicContact CD-CE2 4.16Å; K531-F605 HydrophobicContact CD-CZ 4.13Å; K531-F605 HydrophobicContact CG-CD2 4.27Å; K531-F605 HydrophobicContact CG-CE2 3.57Å; K531-F605 HydrophobicContact CG-CZ 3.85Å | ||
| 532 | S | 82.3 | Confident | 89.6 | Confident | 57 Ų | 57 | 41.9 Ų | 41.9 | 40% | 0.399 | 24% | 0.239 | S | C | . | . | trans | -63.4 | 133.5 | -175.2 | 57.8 | 0 | 0 | 0 | 0 | 111.1 | R601 | S532-R601 VanDerWaalsContact O-CZ 3.27Å; S532-R601 PolarHBondContact O-NH1 2.99Å; S532-R601 PolarHBondContact O-NH2 3.31Å | ||
| 533 | I | 84.8 | Confident | 89.9 | Confident | 34 Ų | 34 | 44.8 Ų | 44.8 | 17% | 0.174 | 25% | 0.253 | C | S | . | . | trans | -141 | 136.5 | 180 | -173.4 | 160.9 | 0 | 0 | 0 | 108.7 | K531 L535 L538 F564 D598 I599 | K531-I533 PolarHBondContact O-N 2.75Å; I533-L535 HydrophobicContact CD1-CD2 4.2Å; I533-L535 HydrophobicContact CG1-CD2 4.21Å; I533-L535 HydrophobicContact CG2-CD2 4.48Å; I533-L538 HydrophobicContact CD1-CD1 3.77Å; I533-L538 HydrophobicContact CG1-CD1 4Å; I533-F564 HydrophobicContact CD1-CD1 4.47Å; I533-F564 HydrophobicContact CD1-CE1 4.4Å; I533-D598 WeakPolarHBondContact CD1-OD2 3.16Å; I533-D598 WeakPolarHBondContact CG1-OD2 3.33Å; I533-I599 HydrophobicContact CD1-CG1 4.08Å | ||
| 534 | S | 84.2 | Confident | 90 | Very high | 47 Ų | 47 | 44.1 Ų | 44.1 | 33% | 0.329 | 25% | 0.25 | S | C | . | . | trans | -105.3 | 101.4 | 174.3 | -78.1 | 0 | 0 | 0 | 0 | 108.5 | N501 L538 | N501-S534 PolarHBondContact ND2-OG 2.7Å; S534-L538 VanDerWaalsContact O-CB 3.31Å; S534-L538 WeakPolarHBondContact O-CB 3.44Å | ||
| 535 | L | 87.6 | Confident | 90 | Very high | 39 Ų | 39 | 44.6 Ų | 44.6 | 20% | 0.204 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.1 | -39.6 | -172.1 | -66.5 | 171.2 | 0 | 0 | 0 | 113.1 | I533 L538 M539 F564 | I533-L535 HydrophobicContact CD1-CD2 4.2Å; I533-L535 HydrophobicContact CG1-CD2 4.21Å; I533-L535 HydrophobicContact CG2-CD2 4.48Å; L535-L538 WeakPolarHBondContact O-CB 3.5Å; L535-L538 PolarHBondContact O-N 3.2Å; L535-M539 WeakPolarHBondContact O-CB 3.32Å; L535-M539 VanDerWaalsContact O-CG 3.26Å; L535-M539 WeakPolarHBondContact O-CG 3.29Å; L535-M539 PolarHBondContact O-N 3.05Å; L535-F564 WeakPolarHBondContact CD1-O 3.5Å; L535-F564 HydrophobicContact CD2-CD1 4.37Å |
| 536 | D | 86.3 | Confident | 90.1 | Very high | 117 Ų | 117 | 40.4 Ų | 40.4 | 63% | 0.626 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.6 | -52.7 | -173.3 | -61.8 | -39.5 | 0 | 0 | 0 | 113.1 | L538 M539 T540 | D536-L538 VanDerWaalsContact C-N 3.28Å; D536-L538 PolarHBondContact O-N 3.46Å; D536-M539 PolarHBondContact O-N 3.11Å; D536-T540 PolarHBondContact O-N 2.74Å; D536-T540 PolarHBondContact O-OG1 3.21Å; D536-T540 VanDerWaalsContact O-OG1 3.06Å |
| 537 | P | 87.7 | Confident | 90.1 | Very high | 73 Ų | 73 | 43.6 Ų | 43.6 | 47% | 0.474 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.3 | -33.5 | 177.5 | -18.7 | 32.7 | 0 | 0 | 0 | 112.6 | K541 | P537-K541 PolarHBondContact O-N 2.78Å; P537-K541 VanDerWaalsContact O-N 3.16Å |
| 538 | L | 89.9 | Confident | 89.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.5 | -49.4 | 176.3 | -176 | 161.6 | 0 | 0 | 0 | 110.5 | Y498 I533 S534 L535 D536 K541 L542 P595 D598 I599 | Y498-L538 HydrophobicContact CD2-CB 3.85Å; Y498-L538 HydrophobicContact CD2-CG 4.3Å; Y498-L538 HydrophobicContact CE2-CB 3.77Å; Y498-L538 HydrophobicContact CE2-CD1 3.97Å; Y498-L538 HydrophobicContact CE2-CG 3.98Å; I533-L538 HydrophobicContact CD1-CD1 3.77Å; I533-L538 HydrophobicContact CG1-CD1 4Å; S534-L538 VanDerWaalsContact O-CB 3.31Å; S534-L538 WeakPolarHBondContact O-CB 3.44Å; L535-L538 WeakPolarHBondContact O-CB 3.5Å; L535-L538 PolarHBondContact O-N 3.2Å; D536-L538 VanDerWaalsContact C-N 3.28Å; D536-L538 PolarHBondContact O-N 3.46Å; L538-K541 PolarHBondContact O-N 3.08Å; L538-L542 WeakPolarHBondContact O-CB 3.35Å; L538-L542 PolarHBondContact O-N 2.78Å; L538-P595 HydrophobicContact CD2-CB 4.11Å; L538-P595 HydrophobicContact CG-CB 4.11Å; L538-D598 HydrophobicContact CD1-CB 3.85Å; L538-I599 HydrophobicContact CD1-CG1 3.93Å; L538-I599 HydrophobicContact CD2-CD1 3.81Å; L538-I599 HydrophobicContact CD2-CG1 3.99Å |
| 539 | M | 93.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.7 | -43.1 | -179.9 | -72.9 | -53.2 | -57.2 | 0 | 0 | 111.2 | L535 D536 K541 L542 E543 L558 C561 R562 | L535-M539 WeakPolarHBondContact O-CB 3.32Å; L535-M539 VanDerWaalsContact O-CG 3.26Å; L535-M539 WeakPolarHBondContact O-CG 3.29Å; L535-M539 PolarHBondContact O-N 3.05Å; D536-M539 PolarHBondContact O-N 3.11Å; M539-K541 PolarHBondContact O-N 3.15Å; M539-L542 HydrophobicContact CE-CD2 4.28Å; M539-L542 PolarHBondContact O-N 2.73Å; M539-L542 HydrophobicContact SD-CD2 4.11Å; M539-E543 HydrophobicContact CE-CG 4.47Å; M539-E543 WeakPolarHBondContact O-CB 3.47Å; M539-E543 VanDerWaalsContact O-CG 3.29Å; M539-E543 WeakPolarHBondContact O-CG 3.46Å; M539-E543 PolarHBondContact O-N 3.33Å; M539-L558 HydrophobicContact CE-CB 4.43Å; M539-L558 HydrophobicContact CE-CD2 4.35Å; M539-L558 VanDerWaalsContact CE-O 3.26Å; M539-L558 WeakPolarHBondContact CE-O 3.19Å; M539-C561 HydrophobicContact CE-CB 4.13Å; M539-C561 HydrophobicContact SD-CB 3.66Å; M539-R562 HydrophobicContact CE-CB 4.13Å; M539-R562 HydrophobicContact CG-CB 4.36Å; M539-R562 HydrophobicContact SD-CB 4.42Å |
| 540 | T | 90.4 | Very high | 89.1 | Confident | 80 Ų | 80 | 54 Ų | 54 | 49% | 0.491 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -55.4 | -42.6 | 173.9 | -58 | 0 | 0 | 0 | 0 | 111.5 | D536 S544 | D536-T540 PolarHBondContact O-N 2.74Å; D536-T540 PolarHBondContact O-OG1 3.21Å; D536-T540 VanDerWaalsContact O-OG1 3.06Å; T540-S544 VanDerWaalsContact O-CB 3.31Å; T540-S544 WeakPolarHBondContact O-CB 3.21Å; T540-S544 PolarHBondContact O-N 3.43Å |
| 541 | K | 90.7 | Very high | 89.1 | Confident | 29 Ų | 29 | 57 Ų | 57 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -74.6 | -40 | 179.9 | -163.3 | 55.2 | 164.3 | -176.6 | 0 | 112.7 | H496 P537 L538 M539 S544 F545 F594 P595 | H496-K541 WeakPolarHBondContact O-CD 3.22Å; H496-K541 VanDerWaalsContact O-CE 3.24Å; H496-K541 WeakPolarHBondContact O-CE 3.28Å; H496-K541 PolarHBondContact O-NZ 2.9Å; P537-K541 PolarHBondContact O-N 2.78Å; P537-K541 VanDerWaalsContact O-N 3.16Å; L538-K541 PolarHBondContact O-N 3.08Å; M539-K541 PolarHBondContact O-N 3.15Å; K541-S544 PolarHBondContact O-N 3.36Å; K541-F545 HydrophobicContact CD-CE1 4.21Å; K541-F545 HydrophobicContact CD-CE2 4.2Å; K541-F545 HydrophobicContact CD-CZ 4.01Å; K541-F545 HydrophobicContact CG-CD2 4.18Å; K541-F545 HydrophobicContact CG-CE2 3.79Å; K541-F545 HydrophobicContact CG-CZ 4.09Å; K541-F545 WeakPolarHBondContact O-CD2 3.44Å; K541-F545 WeakPolarHBondContact O-CG 3.24Å; K541-F545 PolarHBondContact O-N 2.93Å; K541-F594 HydrophobicContact CG-CE2 3.78Å; K541-F594 HydrophobicContact CG-CZ 3.76Å; K541-P595 HydrophobicContact CB-CG 4.38Å; K541-P595 HydrophobicContact CG-CG 4.27Å |
| 542 | L | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 175.4 | -179.8 | 58.3 | 0 | 0 | 0 | 111 | L538 M539 F545 N546 L553 L558 C561 W588 P595 L596 | L538-L542 WeakPolarHBondContact O-CB 3.35Å; L538-L542 PolarHBondContact O-N 2.78Å; M539-L542 HydrophobicContact CE-CD2 4.28Å; M539-L542 PolarHBondContact O-N 2.73Å; M539-L542 HydrophobicContact SD-CD2 4.11Å; L542-F545 PolarHBondContact O-N 3.26Å; L542-N546 VanDerWaalsContact O-CB 3.26Å; L542-N546 WeakPolarHBondContact O-CB 3.33Å; L542-N546 PolarHBondContact O-N 3.05Å; L542-L553 HydrophobicContact CD1-CD1 3.85Å; L542-L553 HydrophobicContact CG-CD1 4.43Å; L542-L558 HydrophobicContact CD2-CD2 4.01Å; L542-L558 HydrophobicContact CG-CD2 4.05Å; L542-C561 HydrophobicContact CD2-CB 4.45Å; L542-W588 HydrophobicContact CD1-CH2 4Å; L542-W588 HydrophobicContact CD1-CZ3 4.01Å; L542-P595 HydrophobicContact CB-CB 3.92Å; L542-P595 HydrophobicContact CB-CG 4.48Å; L542-P595 HydrophobicContact CD1-CB 4.28Å; L542-L596 HydrophobicContact CD1-CD2 3.67Å; L542-L596 HydrophobicContact CD1-CG 3.92Å; L542-L596 HydrophobicContact CD2-CD2 4.26Å |
| 543 | E | 93.7 | Very high | 89.8 | Confident | 64 Ų | 64 | 55.1 Ų | 55.1 | 30% | 0.299 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 177.4 | -72 | 172.5 | 162.1 | 0 | 0 | 111.7 | M539 F545 N546 V547 R562 | M539-E543 HydrophobicContact CE-CG 4.47Å; M539-E543 WeakPolarHBondContact O-CB 3.47Å; M539-E543 VanDerWaalsContact O-CG 3.29Å; M539-E543 WeakPolarHBondContact O-CG 3.46Å; M539-E543 PolarHBondContact O-N 3.33Å; E543-F545 PolarHBondContact O-N 2.95Å; E543-N546 WeakPolarHBondContact O-CB 3.46Å; E543-N546 PolarHBondContact O-N 3.41Å; E543-V547 WeakPolarHBondContact O-CG2 3.38Å; E543-V547 PolarHBondContact O-N 3.46Å; E543-V547 VanDerWaalsContact O-N 3.09Å; E543-R562 IonicContact OE1-CZ 2.89Å; E543-R562 IonicContact OE1-NE 3.05Å; E543-R562 IonicContact OE1-NH2 3.97Å; E543-R562 PolarHBondContact OE1-NH2 2.74Å; E543-R562 IonicContact OE2-NH2 2.9Å; E543-R562 PolarHBondContact OE2-NH2 3.42Å |
| 544 | S | 92.7 | Very high | 90.2 | Very high | 45 Ų | 45 | 56.9 Ų | 56.9 | 32% | 0.315 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.9 | -46.2 | 173.9 | 173.6 | 0 | 0 | 0 | 0 | 112.1 | T540 K541 N546 Q548 | T540-S544 VanDerWaalsContact O-CB 3.31Å; T540-S544 WeakPolarHBondContact O-CB 3.21Å; T540-S544 PolarHBondContact O-N 3.43Å; K541-S544 PolarHBondContact O-N 3.36Å; S544-N546 VanDerWaalsContact C-N 3.35Å; S544-Q548 WeakPolarHBondContact O-CG 3.13Å |
| 545 | F | 93.1 | Very high | 90.6 | Very high | 20 Ų | 20 | 61 Ų | 61 | 9% | 0.088 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.8 | -31.8 | 175.6 | -68 | -28 | 0 | 0 | 0 | 113 | K541 L542 E543 V547 Q548 S549 W588 T592 F594 P595 | K541-F545 HydrophobicContact CD-CE1 4.21Å; K541-F545 HydrophobicContact CD-CE2 4.2Å; K541-F545 HydrophobicContact CD-CZ 4.01Å; K541-F545 HydrophobicContact CG-CD2 4.18Å; K541-F545 HydrophobicContact CG-CE2 3.79Å; K541-F545 HydrophobicContact CG-CZ 4.09Å; K541-F545 WeakPolarHBondContact O-CD2 3.44Å; K541-F545 WeakPolarHBondContact O-CG 3.24Å; K541-F545 PolarHBondContact O-N 2.93Å; L542-F545 PolarHBondContact O-N 3.26Å; E543-F545 PolarHBondContact O-N 2.95Å; F545-V547 VanDerWaalsContact C-N 3.29Å; F545-V547 PolarHBondContact O-N 3.18Å; F545-Q548 CarbonylContact O-C 3.6Å; F545-Q548 PolarHBondContact O-N 3.26Å; F545-Q548 VanDerWaalsContact O-N 3.1Å; F545-S549 PolarHBondContact O-N 3.2Å; F545-W588 HydrophobicContact CB-CE3 4.48Å; F545-W588 HydrophobicContact CB-CH2 4.11Å; F545-W588 HydrophobicContact CB-CZ3 3.63Å; F545-T592 HydrophobicContact CD1-CG2 3.99Å; F545-T592 HydrophobicContact CD2-CG2 4.36Å; F545-T592 WeakPolarHBondContact CD2-O 3.38Å; F545-T592 HydrophobicContact CE1-CG2 4.08Å; F545-T592 HydrophobicContact CE2-CG2 4.43Å; F545-T592 HydrophobicContact CG-CG2 4.11Å; F545-T592 HydrophobicContact CZ-CG2 4.27Å; F545-F594 HydrophobicContact CD2-CZ 4.48Å; F545-F594 HydrophobicContact CE2-CD1 4.24Å; F545-F594 AromaticContact CE2-CE1 3.41Å; F545-F594 HydrophobicContact CE2-CE1 3.41Å; F545-F594 VanDerWaalsContact CE2-CE1 3.41Å; F545-F594 AromaticContact CE2-CE2 3.98Å; F545-F594 HydrophobicContact CE2-CE2 3.98Å; F545-F594 AromaticContact CE2-CZ 3.26Å; F545-F594 HydrophobicContact CE2-CZ 3.26Å; F545-F594 AromaticContact CZ-CE1 3.58Å; F545-F594 HydrophobicContact CZ-CE1 3.58Å; F545-F594 AromaticContact CZ-CZ 3.53Å; F545-F594 HydrophobicContact CZ-CZ 3.53Å; F545-P595 HydrophobicContact CD2-CG 3.97Å; F545-P595 HydrophobicContact CE2-CG 4.08Å |
| 546 | N | 93.6 | Very high | 90.9 | Very high | 15 Ų | 15 | 65.8 Ų | 65.8 | 8% | 0.08 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61 | -41.5 | 177.7 | -164 | 50 | 0 | 0 | 0 | 111.8 | L542 E543 S544 Q548 S549 P552 L553 W588 | L542-N546 VanDerWaalsContact O-CB 3.26Å; L542-N546 WeakPolarHBondContact O-CB 3.33Å; L542-N546 PolarHBondContact O-N 3.05Å; E543-N546 WeakPolarHBondContact O-CB 3.46Å; E543-N546 PolarHBondContact O-N 3.41Å; S544-N546 VanDerWaalsContact C-N 3.35Å; N546-Q548 VanDerWaalsContact C-N 3.25Å; N546-Q548 PolarHBondContact O-N 3.24Å; N546-S549 PolarHBondContact O-N 2.96Å; N546-P552 WeakPolarHBondContact OD1-CA 3.3Å; N546-L553 PolarHBondContact ND2-O 3.34Å; N546-L553 WeakPolarHBondContact OD1-CA 3.39Å; N546-L553 VanDerWaalsContact OD1-CB 3.24Å; N546-L553 WeakPolarHBondContact OD1-CB 3.44Å; N546-L553 WeakPolarHBondContact OD1-CG 3.31Å; N546-L553 PolarHBondContact OD1-N 2.71Å; N546-W588 VanDerWaalsContact CA-CH2 3.5Å; N546-W588 HydrophobicContact CB-CH2 3.96Å; N546-W588 HydrophobicContact CB-CZ2 4.26Å; N546-W588 WeakPolarHBondContact OD1-CZ2 3.25Å |
| 547 | V | 92.1 | Very high | 91.3 | Very high | 129 Ų | 129 | 60.3 Ų | 60.3 | 78% | 0.782 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.8 | -31.1 | 176.4 | 174.1 | 0 | 0 | 0 | 0 | 112 | E543 F545 | E543-V547 WeakPolarHBondContact O-CG2 3.38Å; E543-V547 PolarHBondContact O-N 3.46Å; E543-V547 VanDerWaalsContact O-N 3.09Å; F545-V547 VanDerWaalsContact C-N 3.29Å; F545-V547 PolarHBondContact O-N 3.18Å |
| 548 | Q | 87.6 | Confident | 91.6 | Very high | 136 Ų | 136 | 57.4 Ų | 57.4 | 64% | 0.636 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -87.5 | -15.2 | -178.8 | -64.6 | 171.9 | 10 | 0 | 0 | 113.1 | S544 F545 N546 | S544-Q548 WeakPolarHBondContact O-CG 3.13Å; F545-Q548 CarbonylContact O-C 3.6Å; F545-Q548 PolarHBondContact O-N 3.26Å; F545-Q548 VanDerWaalsContact O-N 3.1Å; N546-Q548 VanDerWaalsContact C-N 3.25Å; N546-Q548 PolarHBondContact O-N 3.24Å |
| 549 | S | 86.1 | Confident | 91.8 | Very high | 19 Ų | 19 | 61.4 Ų | 61.4 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | trans | -75.8 | 136.8 | -175.4 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | F545 N546 I551 W588 | F545-S549 PolarHBondContact O-N 3.2Å; N546-S549 PolarHBondContact O-N 2.96Å; S549-I551 PolarHBondContact O-N 3.41Å; S549-I551 PolarHBondContact OG-N 3Å; S549-I551 PolarHBondContact OG-O 2.94Å; S549-W588 PolarHBondContact OG-NE1 3.39Å | ||
| 550 | P | 84.5 | Confident | 91.8 | Very high | 121 Ų | 121 | 62.8 Ų | 62.8 | 79% | 0.786 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -64.3 | -17.8 | 171.1 | 27.6 | -34.5 | 0 | 0 | 0 | 112.6 | ||
| 551 | I | 90.4 | Very high | 92 | Very high | 84 Ų | 84 | 59 Ų | 59 | 43% | 0.431 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -128.6 | 83 | 178 | -51.4 | 168 | 0 | 0 | 0 | 108 | S549 K587 W588 | S549-I551 PolarHBondContact O-N 3.41Å; S549-I551 PolarHBondContact OG-N 3Å; S549-I551 PolarHBondContact OG-O 2.94Å; I551-K587 HydrophobicContact CD1-CB 4.05Å; I551-K587 HydrophobicContact CD1-CD 4.4Å; I551-K587 HydrophobicContact CD1-CG 4.19Å; I551-K587 HydrophobicContact CG2-CD 4.16Å; I551-W588 PolarHBondContact O-NE1 3.13Å |
| 552 | P | 91 | Very high | 92.2 | Very high | 82 Ų | 82 | 61.9 Ų | 61.9 | 53% | 0.532 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 143.2 | -178.9 | 27.5 | -34.1 | 0 | 0 | 0 | 111.4 | N546 | N546-P552 WeakPolarHBondContact OD1-CA 3.3Š|
| 553 | L | 93.1 | Very high | 92.2 | Very high | 24 Ų | 24 | 68.6 Ų | 68.6 | 13% | 0.126 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 144.1 | 168.1 | -54.4 | 168.2 | 0 | 0 | 0 | 110 | L542 N546 F557 L558 A584 W588 L596 | L542-L553 HydrophobicContact CD1-CD1 3.85Å; L542-L553 HydrophobicContact CG-CD1 4.43Å; N546-L553 PolarHBondContact ND2-O 3.34Å; N546-L553 WeakPolarHBondContact OD1-CA 3.39Å; N546-L553 VanDerWaalsContact OD1-CB 3.24Å; N546-L553 WeakPolarHBondContact OD1-CB 3.44Å; N546-L553 WeakPolarHBondContact OD1-CG 3.31Å; N546-L553 PolarHBondContact OD1-N 2.71Å; L553-F557 HydrophobicContact CB-CD1 4.06Å; L553-F557 HydrophobicContact CD1-CD1 4.09Å; L553-F557 HydrophobicContact CD1-CE1 3.87Å; L553-F557 HydrophobicContact CD2-CD1 4.17Å; L553-F557 HydrophobicContact CD2-CE1 4.14Å; L553-F557 HydrophobicContact CG-CD1 4.31Å; L553-F557 HydrophobicContact CG-CE1 4.42Å; L553-L558 HydrophobicContact CB-CD2 4.37Å; L553-L558 HydrophobicContact CB-CG 4.4Å; L553-L558 HydrophobicContact CD1-CD2 4.18Å; L553-A584 HydrophobicContact CD2-CB 3.52Å; L553-W588 HydrophobicContact CD1-CH2 3.75Å; L553-W588 HydrophobicContact CD1-CZ2 3.68Å; L553-W588 HydrophobicContact CD2-CZ2 4.38Å; L553-W588 HydrophobicContact CG-CH2 4.24Å; L553-W588 HydrophobicContact CG-CZ2 3.64Å; L553-L596 HydrophobicContact CD1-CD2 4.3Å |
| 554 | N | 92.7 | Very high | 92.1 | Very high | 70 Ų | 70 | 65.8 Ų | 65.8 | 37% | 0.374 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 157.2 | 178.5 | 69 | 39.5 | 0 | 0 | 0 | 111.7 | E556 F557 L558 | N554-E556 VanDerWaalsContact C-N 3.28Å; N554-E556 PolarHBondContact O-N 3.29Å; N554-E556 PolarHBondContact OD1-N 3.26Å; N554-F557 PolarHBondContact O-N 3.07Å; N554-F557 WeakPolarHBondContact OD1-CB 3.29Å; N554-F557 PolarHBondContact OD1-N 3.27Å; N554-L558 PolarHBondContact O-N 2.96Å; N554-L558 VanDerWaalsContact O-N 3.16Å |
| 555 | N | 92.6 | Very high | 92 | Very high | 133 Ų | 133 | 66.7 Ų | 66.7 | 71% | 0.711 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66 | -29.7 | -176.9 | -70.1 | -16.2 | 0 | 0 | 0 | 113.1 | L558 E559 | N555-L558 PolarHBondContact O-N 3.01Å; N555-E559 WeakPolarHBondContact O-CB 3.11Å; N555-E559 PolarHBondContact O-N 3.16Å |
| 556 | E | 93.8 | Very high | 91.8 | Very high | 140 Ų | 140 | 67.6 Ų | 67.6 | 65% | 0.654 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.5 | -44.1 | 177.5 | -174.7 | 179.8 | -176.5 | 0 | 0 | 111.2 | N554 E559 A560 | N554-E556 VanDerWaalsContact C-N 3.28Å; N554-E556 PolarHBondContact O-N 3.29Å; N554-E556 PolarHBondContact OD1-N 3.26Å; E556-E559 PolarHBondContact O-N 3.33Å; E556-A560 WeakPolarHBondContact O-CB 3.17Å; E556-A560 PolarHBondContact O-N 3.3Å |
| 557 | F | 94.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 72 Ų | 72 | 1% | 0.009 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.8 | -43 | 176.7 | 175.6 | -102.8 | 0 | 0 | 0 | 112 | L553 N554 E559 A560 C561 Y576 L577 Y580 I581 L596 | L553-F557 HydrophobicContact CB-CD1 4.06Å; L553-F557 HydrophobicContact CD1-CD1 4.09Å; L553-F557 HydrophobicContact CD1-CE1 3.87Å; L553-F557 HydrophobicContact CD2-CD1 4.17Å; L553-F557 HydrophobicContact CD2-CE1 4.14Å; L553-F557 HydrophobicContact CG-CD1 4.31Å; L553-F557 HydrophobicContact CG-CE1 4.42Å; N554-F557 PolarHBondContact O-N 3.07Å; N554-F557 WeakPolarHBondContact OD1-CB 3.29Å; N554-F557 PolarHBondContact OD1-N 3.27Å; F557-E559 VanDerWaalsContact C-N 3.29Å; F557-E559 PolarHBondContact O-N 3.47Å; F557-A560 WeakPolarHBondContact O-CB 3.37Å; F557-A560 PolarHBondContact O-N 3.38Å; F557-A560 VanDerWaalsContact O-N 3.16Å; F557-C561 WeakPolarHBondContact CZ-SG 3.5Å; F557-C561 PolarHBondContact O-N 3Å; F557-C561 PolarHBondContact O-SG 3.32Å; F557-C561 VanDerWaalsContact O-SG 3.42Å; F557-Y576 HydrophobicContact CD2-CE1 4.17Å; F557-L577 HydrophobicContact CD2-CD2 4.2Å; F557-L577 HydrophobicContact CE2-CD2 3.86Å; F557-Y580 VanDerWaalsContact CD2-CB 3.48Å; F557-Y580 HydrophobicContact CD2-CD1 4.18Å; F557-Y580 AromaticContact CD2-CG 3.99Å; F557-Y580 HydrophobicContact CD2-CG 3.99Å; F557-Y580 HydrophobicContact CE2-CG 4.35Å; F557-Y580 HydrophobicContact CG-CD1 4.45Å; F557-I581 HydrophobicContact CE2-CG1 4.07Å; F557-I581 HydrophobicContact CZ-CG1 3.57Å; F557-L596 HydrophobicContact CE1-CD2 4.15Å; F557-L596 HydrophobicContact CZ-CD2 4.33Å |
| 558 | L | 94.7 | Very high | 91.4 | Very high | 13 Ų | 13 | 71.5 Ų | 71.5 | 7% | 0.068 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.9 | -41.1 | 175.6 | -70.2 | 175.3 | 0 | 0 | 0 | 111.9 | M539 L542 L553 N554 N555 C561 R562 | M539-L558 HydrophobicContact CE-CB 4.43Å; M539-L558 HydrophobicContact CE-CD2 4.35Å; M539-L558 VanDerWaalsContact CE-O 3.26Å; M539-L558 WeakPolarHBondContact CE-O 3.19Å; L542-L558 HydrophobicContact CD2-CD2 4.01Å; L542-L558 HydrophobicContact CG-CD2 4.05Å; L553-L558 HydrophobicContact CB-CD2 4.37Å; L553-L558 HydrophobicContact CB-CG 4.4Å; L553-L558 HydrophobicContact CD1-CD2 4.18Å; N554-L558 PolarHBondContact O-N 2.96Å; N554-L558 VanDerWaalsContact O-N 3.16Å; N555-L558 PolarHBondContact O-N 3.01Å; L558-C561 PolarHBondContact O-N 3.11Å; L558-R562 WeakPolarHBondContact O-CB 3.3Å; L558-R562 PolarHBondContact O-N 3.49Å |
| 559 | E | 93.8 | Very high | 91.5 | Very high | 84 Ų | 84 | 65.9 Ų | 65.9 | 39% | 0.393 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.9 | -36.2 | 176.2 | -173.2 | 64.5 | -172.8 | 0 | 0 | 111.8 | N555 E556 F557 R562 K563 | N555-E559 WeakPolarHBondContact O-CB 3.11Å; N555-E559 PolarHBondContact O-N 3.16Å; E556-E559 PolarHBondContact O-N 3.33Å; F557-E559 VanDerWaalsContact C-N 3.29Å; F557-E559 PolarHBondContact O-N 3.47Å; E559-R562 PolarHBondContact O-N 3.34Å; E559-K563 HydrophobicContact CG-CD 4.37Å; E559-K563 WeakPolarHBondContact O-CG 3.35Å; E559-K563 PolarHBondContact O-N 3.01Å; E559-K563 WeakPolarHBondContact OE1-CE 3.11Å; E559-K563 IonicContact OE1-NZ 2.67Å; E559-K563 PolarHBondContact OE1-NZ 3.18Å |
| 560 | A | 94.7 | Very high | 92 | Very high | 29 Ų | 29 | 68.4 Ų | 68.4 | 24% | 0.24 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E556 F557 K563 F564 Y576 L577 | E556-A560 WeakPolarHBondContact O-CB 3.17Å; E556-A560 PolarHBondContact O-N 3.3Å; F557-A560 WeakPolarHBondContact O-CB 3.37Å; F557-A560 PolarHBondContact O-N 3.38Å; F557-A560 VanDerWaalsContact O-N 3.16Å; A560-K563 PolarHBondContact O-N 3.41Å; A560-F564 PolarHBondContact O-N 3.35Å; A560-F564 VanDerWaalsContact O-N 3.16Å; A560-Y576 HydrophobicContact CB-CE1 4.05Å; A560-L577 HydrophobicContact CB-CD2 3.79Å |
| 561 | C | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 172.6 | -70 | 0 | 0 | 0 | 0 | 112 | M539 L542 F557 L558 K563 F564 I599 | M539-C561 HydrophobicContact CE-CB 4.13Å; M539-C561 HydrophobicContact SD-CB 3.66Å; L542-C561 HydrophobicContact CD2-CB 4.45Å; F557-C561 WeakPolarHBondContact CZ-SG 3.5Å; F557-C561 PolarHBondContact O-N 3Å; F557-C561 PolarHBondContact O-SG 3.32Å; F557-C561 VanDerWaalsContact O-SG 3.42Å; L558-C561 PolarHBondContact O-N 3.11Å; C561-K563 VanDerWaalsContact C-N 3.26Å; C561-K563 PolarHBondContact O-N 3.32Å; C561-F564 VanDerWaalsContact O-CB 3.29Å; C561-F564 WeakPolarHBondContact O-CB 3.49Å; C561-F564 PolarHBondContact O-N 2.6Å; C561-F564 VanDerWaalsContact O-N 3.16Å; C561-I599 HydrophobicContact CB-CD1 3.75Å |
| 562 | R | 94 | Very high | 92.6 | Very high | 90 Ų | 90 | 68.4 Ų | 68.4 | 34% | 0.34 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.4 | -31.7 | 178.6 | -171.5 | 175.1 | -72.5 | -82 | 4.6 | 112.7 | M539 E543 L558 E559 | M539-R562 HydrophobicContact CE-CB 4.13Å; M539-R562 HydrophobicContact CG-CB 4.36Å; M539-R562 HydrophobicContact SD-CB 4.42Å; E543-R562 IonicContact OE1-CZ 2.89Å; E543-R562 IonicContact OE1-NE 3.05Å; E543-R562 IonicContact OE1-NH2 3.97Å; E543-R562 PolarHBondContact OE1-NH2 2.74Å; E543-R562 IonicContact OE2-NH2 2.9Å; E543-R562 PolarHBondContact OE2-NH2 3.42Å; L558-R562 WeakPolarHBondContact O-CB 3.3Å; L558-R562 PolarHBondContact O-N 3.49Å; E559-R562 PolarHBondContact O-N 3.34Å |
| 563 | K | 92.8 | Very high | 92.8 | Very high | 141 Ų | 141 | 69.1 Ų | 69.1 | 61% | 0.613 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -5.4 | 177.4 | -72.3 | 173.1 | 179.9 | 152.2 | 0 | 114.1 | E559 A560 C561 N565 | E559-K563 HydrophobicContact CG-CD 4.37Å; E559-K563 WeakPolarHBondContact O-CG 3.35Å; E559-K563 PolarHBondContact O-N 3.01Å; E559-K563 WeakPolarHBondContact OE1-CE 3.11Å; E559-K563 IonicContact OE1-NZ 2.67Å; E559-K563 PolarHBondContact OE1-NZ 3.18Å; A560-K563 PolarHBondContact O-N 3.41Å; C561-K563 VanDerWaalsContact C-N 3.26Å; C561-K563 PolarHBondContact O-N 3.32Å; K563-N565 PolarHBondContact O-N 3.05Å |
| 564 | F | 92.6 | Very high | 93 | Very high | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.018 | 35% | 0.352 | C | S | . | . | trans | -62.2 | 110.5 | -175.5 | 173.3 | -110 | 0 | 0 | 0 | 111.2 | I533 L535 A560 C561 I566 C569 L577 I599 C602 L603 W606 | I533-F564 HydrophobicContact CD1-CD1 4.47Å; I533-F564 HydrophobicContact CD1-CE1 4.4Å; L535-F564 WeakPolarHBondContact CD1-O 3.5Å; L535-F564 HydrophobicContact CD2-CD1 4.37Å; A560-F564 PolarHBondContact O-N 3.35Å; A560-F564 VanDerWaalsContact O-N 3.16Å; C561-F564 VanDerWaalsContact O-CB 3.29Å; C561-F564 WeakPolarHBondContact O-CB 3.49Å; C561-F564 PolarHBondContact O-N 2.6Å; C561-F564 VanDerWaalsContact O-N 3.16Å; F564-I566 HydrophobicContact CZ-CB 4.29Å; F564-I566 HydrophobicContact CZ-CG1 4.49Å; F564-C569 HydrophobicContact CD2-CB 4.31Å; F564-C569 HydrophobicContact CE2-CB 4.2Å; F564-L577 HydrophobicContact CB-CD1 4.25Å; F564-L577 HydrophobicContact CD2-CD1 3.75Å; F564-L577 HydrophobicContact CG-CD1 4.29Å; F564-I599 HydrophobicContact CD1-CG2 4.02Å; F564-I599 HydrophobicContact CE1-CG2 4.25Å; F564-I599 HydrophobicContact CG-CG2 4.28Å; F564-C602 HydrophobicContact CE1-CB 3.75Å; F564-C602 HydrophobicContact CZ-CB 3.69Å; F564-L603 HydrophobicContact CD2-CD2 4.16Å; F564-L603 HydrophobicContact CE2-CD2 3.51Å; F564-L603 HydrophobicContact CE2-CG 4.35Å; F564-L603 HydrophobicContact CZ-CD2 4.06Å; F564-L603 HydrophobicContact CZ-CG 4.47Å; F564-W606 HydrophobicContact CE2-CH2 4.35Å; F564-W606 HydrophobicContact CE2-CZ3 4.4Å | ||
| 565 | N | 90.6 | Very high | 93.2 | Very high | 65 Ų | 65 | 66.2 Ų | 66.2 | 35% | 0.348 | 34% | 0.344 | S | S | . | . | trans | -120.1 | 123.6 | 169.1 | -178.2 | -0.6 | 0 | 0 | 0 | 109 | K563 T567 D568 C569 | K563-N565 PolarHBondContact O-N 3.05Å; N565-T567 VanDerWaalsContact CG-OG1 3.31Å; N565-T567 PolarHBondContact ND2-OG1 3.18Å; N565-T567 PolarHBondContact O-N 3.47Å; N565-T567 VanDerWaalsContact O-N 3.12Å; N565-T567 PolarHBondContact OD1-N 3.1Å; N565-T567 VanDerWaalsContact OD1-N 3.13Å; N565-T567 PolarHBondContact OD1-OG1 2.98Å; N565-T567 VanDerWaalsContact OD1-OG1 3.09Å; N565-D568 HydrophobicContact CB-CB 4.29Å; N565-D568 PolarHBondContact ND2-OD2 3.37Å; N565-D568 PolarHBondContact O-N 2.93Å; N565-D568 VanDerWaalsContact O-N 3.1Å; N565-C569 VanDerWaalsContact O-CB 3.23Å; N565-C569 WeakPolarHBondContact O-CB 3.36Å; N565-C569 PolarHBondContact O-N 2.82Å | ||
| 566 | I | 87.9 | Confident | 93.4 | Very high | 38 Ų | 38 | 62.8 Ų | 62.8 | 20% | 0.195 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -25 | -178.1 | -159.2 | 175.3 | 0 | 0 | 0 | 113 | K531 F564 C602 F605 W606 | K531-I566 HydrophobicContact CB-CD1 3.77Å; K531-I566 HydrophobicContact CD-CD1 3.99Å; K531-I566 HydrophobicContact CG-CD1 3.67Å; F564-I566 HydrophobicContact CZ-CB 4.29Å; F564-I566 HydrophobicContact CZ-CG1 4.49Å; I566-C602 HydrophobicContact CD1-CB 4.11Å; I566-F605 HydrophobicContact CD1-CD2 3.96Å; I566-F605 HydrophobicContact CD1-CE2 4.45Å; I566-W606 HydrophobicContact CG1-CH2 3.86Å; I566-W606 HydrophobicContact CG1-CZ3 4.14Å |
| 567 | T | 87.2 | Confident | 93.6 | Very high | 107 Ų | 107 | 56.3 Ų | 56.3 | 66% | 0.656 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -26.6 | 178.6 | 62.3 | 0 | 0 | 0 | 0 | 113.5 | N565 | N565-T567 VanDerWaalsContact CG-OG1 3.31Å; N565-T567 PolarHBondContact ND2-OG1 3.18Å; N565-T567 PolarHBondContact O-N 3.47Å; N565-T567 VanDerWaalsContact O-N 3.12Å; N565-T567 PolarHBondContact OD1-N 3.1Å; N565-T567 VanDerWaalsContact OD1-N 3.13Å; N565-T567 PolarHBondContact OD1-OG1 2.98Å; N565-T567 VanDerWaalsContact OD1-OG1 3.09Å |
| 568 | D | 89.3 | Confident | 93.7 | Very high | 119 Ų | 119 | 56.2 Ų | 56.2 | 64% | 0.636 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.9 | -1.6 | -167.2 | -54 | -17.2 | 0 | 0 | 0 | 113 | N565 | N565-D568 HydrophobicContact CB-CB 4.29Å; N565-D568 PolarHBondContact ND2-OD2 3.37Å; N565-D568 PolarHBondContact O-N 2.93Å; N565-D568 VanDerWaalsContact O-N 3.1Å |
| 569 | C | 91.7 | Very high | 93.8 | Very high | 18 Ų | 18 | 58.9 Ų | 58.9 | 12% | 0.122 | 31% | 0.308 | C | S | . | . | trans | -76.3 | 128.8 | -179 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | F564 N565 W606 | F564-C569 HydrophobicContact CD2-CB 4.31Å; F564-C569 HydrophobicContact CE2-CB 4.2Å; N565-C569 VanDerWaalsContact O-CB 3.23Å; N565-C569 WeakPolarHBondContact O-CB 3.36Å; N565-C569 PolarHBondContact O-N 2.82Å; C569-W606 HydrophobicContact CB-CH2 3.93Å; C569-W606 HydrophobicContact CB-CZ2 3.67Å; C569-W606 VanDerWaalsContact O-CZ2 3.29Å; C569-W606 WeakPolarHBondContact O-CZ2 3.37Å; C569-W606 PolarHBondContact O-NE1 3.01Å | ||
| 570 | T | 94.7 | Very high | 93.9 | Very high | 72 Ų | 72 | 59.3 Ų | 59.3 | 44% | 0.442 | 31% | 0.307 | S | S | . | . | trans | -77 | 159.9 | 175.5 | 65.7 | 0 | 0 | 0 | 0 | 111.9 | T572 E573 A574 | T570-T572 VanDerWaalsContact C-N 3.3Å; T570-T572 PolarHBondContact O-N 2.88Å; T570-E573 WeakPolarHBondContact CB-OE2 3.44Å; T570-E573 WeakPolarHBondContact CG2-OE2 3.4Å; T570-E573 PolarHBondContact N-OE2 3.41Å; T570-E573 PolarHBondContact O-N 2.94Å; T570-E573 WeakPolarHBondContact OG1-CB 3.47Å; T570-E573 WeakPolarHBondContact OG1-CG 3.4Å; T570-E573 PolarHBondContact OG1-N 3.19Å; T570-E573 PolarHBondContact OG1-OE2 2.99Å; T570-A574 WeakPolarHBondContact O-CB 3Å; T570-A574 PolarHBondContact O-N 3.33Å | ||
| 571 | E | 93.7 | Very high | 94 | Very high | 89 Ų | 89 | 58 Ų | 58 | 42% | 0.416 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.2 | -39.1 | 177.2 | -174.5 | 169.5 | -133.3 | 0 | 0 | 112.3 | A574 V575 I608 | E571-A574 PolarHBondContact O-N 3.35Å; E571-V575 HydrophobicContact CG-CG2 4.48Å; E571-V575 WeakPolarHBondContact O-CB 3.3Å; E571-V575 VanDerWaalsContact O-CG2 3.27Å; E571-V575 WeakPolarHBondContact O-CG2 3.14Å; E571-V575 PolarHBondContact O-N 3.43Å; E571-I608 HydrophobicContact CG-CD1 4.22Å; E571-I608 WeakPolarHBondContact OE1-CD1 3.18Å |
| 572 | T | 95.3 | Very high | 94.1 | Very high | 116 Ų | 116 | 58.3 Ų | 58.3 | 71% | 0.712 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63 | -44.1 | 176.7 | -50.7 | 0 | 0 | 0 | 0 | 112 | T570 V575 Y576 | T570-T572 VanDerWaalsContact C-N 3.3Å; T570-T572 PolarHBondContact O-N 2.88Å; T572-V575 PolarHBondContact O-N 2.95Å; T572-Y576 WeakPolarHBondContact O-CB 3.35Å; T572-Y576 PolarHBondContact O-N 2.99Å |
| 573 | E | 95.5 | Very high | 94 | Very high | 97 Ų | 97 | 57.4 Ų | 57.4 | 45% | 0.453 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 176.2 | -72 | 162.7 | 156 | 0 | 0 | 111.4 | T570 V575 Y576 L577 | T570-E573 WeakPolarHBondContact CB-OE2 3.44Å; T570-E573 WeakPolarHBondContact CG2-OE2 3.4Å; T570-E573 PolarHBondContact N-OE2 3.41Å; T570-E573 PolarHBondContact O-N 2.94Å; T570-E573 WeakPolarHBondContact OG1-CB 3.47Å; T570-E573 WeakPolarHBondContact OG1-CG 3.4Å; T570-E573 PolarHBondContact OG1-N 3.19Å; T570-E573 PolarHBondContact OG1-OE2 2.99Å; E573-V575 PolarHBondContact O-N 3.49Å; E573-Y576 WeakPolarHBondContact O-CB 3.45Å; E573-Y576 PolarHBondContact O-N 3.39Å; E573-L577 WeakPolarHBondContact O-CB 3.21Å; E573-L577 WeakPolarHBondContact O-CG 3.31Å; E573-L577 PolarHBondContact O-N 3.29Å |
| 574 | A | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T570 E571 T578 L603 W606 S609 | T570-A574 WeakPolarHBondContact O-CB 3Å; T570-A574 PolarHBondContact O-N 3.33Å; E571-A574 PolarHBondContact O-N 3.35Å; A574-T578 VanDerWaalsContact O-CB 3.28Å; A574-T578 WeakPolarHBondContact O-CB 3.24Å; A574-T578 PolarHBondContact O-N 3.31Å; A574-T578 PolarHBondContact O-OG1 2.91Å; A574-L603 HydrophobicContact CB-CD2 4Å; A574-W606 HydrophobicContact CB-CB 3.99Å; A574-W606 HydrophobicContact CB-CD2 3.48Å; A574-W606 VanDerWaalsContact CB-CD2 3.48Å; A574-W606 HydrophobicContact CB-CE3 3.89Å; A574-W606 HydrophobicContact CB-CG 3.51Å; A574-S609 VanDerWaalsContact C-OG 3.32Å; A574-S609 PolarHBondContact O-OG 3.23Å |
| 575 | V | 97.1 | Very high | 94.1 | Very high | 34 Ų | 34 | 50.7 Ų | 50.7 | 21% | 0.206 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 176.2 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | E571 T572 E573 T578 T579 I608 S609 I612 | E571-V575 HydrophobicContact CG-CG2 4.48Å; E571-V575 WeakPolarHBondContact O-CB 3.3Å; E571-V575 VanDerWaalsContact O-CG2 3.27Å; E571-V575 WeakPolarHBondContact O-CG2 3.14Å; E571-V575 PolarHBondContact O-N 3.43Å; T572-V575 PolarHBondContact O-N 2.95Å; E573-V575 PolarHBondContact O-N 3.49Å; V575-T578 PolarHBondContact O-N 2.93Å; V575-T579 WeakPolarHBondContact O-CB 3.5Å; V575-T579 PolarHBondContact O-N 2.86Å; V575-T579 PolarHBondContact O-OG1 2.85Å; V575-I608 HydrophobicContact CG2-CB 3.78Å; V575-I608 HydrophobicContact CG2-CG2 3.58Å; V575-S609 PolarHBondContact N-OG 3.49Å; V575-I612 HydrophobicContact CG1-CD1 3.95Å |
| 576 | Y | 96.9 | Very high | 94.1 | Very high | 60 Ų | 60 | 51.4 Ų | 51.4 | 24% | 0.235 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.4 | -55.1 | 173.8 | 170.7 | -94.5 | 0 | 0 | 0 | 111.1 | F557 A560 T572 E573 T578 T579 Y580 | F557-Y576 HydrophobicContact CD2-CE1 4.17Å; A560-Y576 HydrophobicContact CB-CE1 4.05Å; T572-Y576 WeakPolarHBondContact O-CB 3.35Å; T572-Y576 PolarHBondContact O-N 2.99Å; E573-Y576 WeakPolarHBondContact O-CB 3.45Å; E573-Y576 PolarHBondContact O-N 3.39Å; Y576-T578 VanDerWaalsContact C-N 3.33Å; Y576-T578 PolarHBondContact O-N 2.96Å; Y576-T579 PolarHBondContact O-N 2.86Å; Y576-Y580 AromaticContact CD2-CD2 3.81Å; Y576-Y580 HydrophobicContact CD2-CD2 3.81Å; Y576-Y580 AromaticContact CD2-CE2 3.63Å; Y576-Y580 HydrophobicContact CD2-CE2 3.63Å; Y576-Y580 AromaticContact CE2-CD2 3.63Å; Y576-Y580 HydrophobicContact CE2-CD2 3.63Å; Y576-Y580 AromaticContact CE2-CE2 3.22Å; Y576-Y580 HydrophobicContact CE2-CE2 3.22Å; Y576-Y580 HydrophobicContact CE2-CG 4.47Å; Y576-Y580 AromaticContact CE2-CZ 3.79Å; Y576-Y580 HydrophobicContact CG-CD2 4.35Å; Y576-Y580 AromaticContact CZ-CD2 3.99Å; Y576-Y580 AromaticContact CZ-CE2 3.89Å; Y576-Y580 WeakPolarHBondContact O-CD2 3.45Å; Y576-Y580 PolarHBondContact O-N 2.92Å; Y576-Y580 VanDerWaalsContact O-N 3.08Å |
| 577 | L | 97.1 | Very high | 94.1 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.7 | -45.3 | 179.1 | -73.4 | 173.5 | 0 | 0 | 0 | 111.3 | F557 A560 F564 E573 T579 Y580 I581 L603 | F557-L577 HydrophobicContact CD2-CD2 4.2Å; F557-L577 HydrophobicContact CE2-CD2 3.86Å; A560-L577 HydrophobicContact CB-CD2 3.79Å; F564-L577 HydrophobicContact CB-CD1 4.25Å; F564-L577 HydrophobicContact CD2-CD1 3.75Å; F564-L577 HydrophobicContact CG-CD1 4.29Å; E573-L577 WeakPolarHBondContact O-CB 3.21Å; E573-L577 WeakPolarHBondContact O-CG 3.31Å; E573-L577 PolarHBondContact O-N 3.29Å; L577-T579 PolarHBondContact O-N 2.75Å; L577-Y580 PolarHBondContact O-N 2.72Å; L577-I581 HydrophobicContact CB-CD1 4.45Å; L577-I581 VanDerWaalsContact O-CB 3.27Å; L577-I581 WeakPolarHBondContact O-CB 3.45Å; L577-I581 WeakPolarHBondContact O-CD1 3.37Å; L577-I581 WeakPolarHBondContact O-CG1 3.4Å; L577-I581 PolarHBondContact O-N 2.96Å; L577-L603 HydrophobicContact CB-CD1 3.72Å; L577-L603 HydrophobicContact CB-CD2 4.26Å; L577-L603 HydrophobicContact CD1-CD2 4.26Å |
| 578 | T | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.2 | -48.4 | -179.6 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | A574 V575 Y576 I581 L582 L600 S609 I612 I613 | A574-T578 VanDerWaalsContact O-CB 3.28Å; A574-T578 WeakPolarHBondContact O-CB 3.24Å; A574-T578 PolarHBondContact O-N 3.31Å; A574-T578 PolarHBondContact O-OG1 2.91Å; V575-T578 PolarHBondContact O-N 2.93Å; Y576-T578 VanDerWaalsContact C-N 3.33Å; Y576-T578 PolarHBondContact O-N 2.96Å; T578-I581 PolarHBondContact O-N 3.02Å; T578-L582 HydrophobicContact CG2-CD1 3.96Å; T578-L582 WeakPolarHBondContact O-CG 3.4Å; T578-L582 PolarHBondContact O-N 3.41Å; T578-L600 HydrophobicContact CG2-CD1 4.18Å; T578-S609 VanDerWaalsContact OG1-CB 3.31Å; T578-S609 WeakPolarHBondContact OG1-CB 3.38Å; T578-S609 PolarHBondContact OG1-OG 2.95Å; T578-I612 HydrophobicContact CG2-CB 4.25Å; T578-I612 HydrophobicContact CG2-CG2 4.05Å; T578-I613 HydrophobicContact CG2-CD1 4.05Å; T578-I613 HydrophobicContact CG2-CG1 3.57Å |
| 579 | T | 96.7 | Very high | 94.2 | Very high | 70 Ų | 70 | 48.2 Ų | 48.2 | 43% | 0.429 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | -177.3 | -53 | 0 | 0 | 0 | 0 | 111 | V575 Y576 L577 D583 | V575-T579 WeakPolarHBondContact O-CB 3.5Å; V575-T579 PolarHBondContact O-N 2.86Å; V575-T579 PolarHBondContact O-OG1 2.85Å; Y576-T579 PolarHBondContact O-N 2.86Å; L577-T579 PolarHBondContact O-N 2.75Å; T579-D583 PolarHBondContact O-N 2.9Å; T579-D583 VanDerWaalsContact O-N 3.11Å |
| 580 | Y | 95.8 | Very high | 93.9 | Very high | 93 Ų | 93 | 49.5 Ų | 49.5 | 37% | 0.365 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69.1 | -38.6 | 178.1 | -88.4 | -100.4 | 0 | 0 | 0 | 112.8 | F557 Y576 L577 D583 A584 | F557-Y580 VanDerWaalsContact CD2-CB 3.48Å; F557-Y580 HydrophobicContact CD2-CD1 4.18Å; F557-Y580 AromaticContact CD2-CG 3.99Å; F557-Y580 HydrophobicContact CD2-CG 3.99Å; F557-Y580 HydrophobicContact CE2-CG 4.35Å; F557-Y580 HydrophobicContact CG-CD1 4.45Å; Y576-Y580 AromaticContact CD2-CD2 3.81Å; Y576-Y580 HydrophobicContact CD2-CD2 3.81Å; Y576-Y580 AromaticContact CD2-CE2 3.63Å; Y576-Y580 HydrophobicContact CD2-CE2 3.63Å; Y576-Y580 AromaticContact CE2-CD2 3.63Å; Y576-Y580 HydrophobicContact CE2-CD2 3.63Å; Y576-Y580 AromaticContact CE2-CE2 3.22Å; Y576-Y580 HydrophobicContact CE2-CE2 3.22Å; Y576-Y580 HydrophobicContact CE2-CG 4.47Å; Y576-Y580 AromaticContact CE2-CZ 3.79Å; Y576-Y580 HydrophobicContact CG-CD2 4.35Å; Y576-Y580 AromaticContact CZ-CD2 3.99Å; Y576-Y580 AromaticContact CZ-CE2 3.89Å; Y576-Y580 WeakPolarHBondContact O-CD2 3.45Å; Y576-Y580 PolarHBondContact O-N 2.92Å; Y576-Y580 VanDerWaalsContact O-N 3.08Å; L577-Y580 PolarHBondContact O-N 2.72Å; Y580-D583 PolarHBondContact O-N 3.46Å; Y580-A584 WeakPolarHBondContact O-CB 3.47Å; Y580-A584 PolarHBondContact O-N 3.37Å |
| 581 | I | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61 | -47.2 | 175.4 | -74.4 | 167.4 | 0 | 0 | 0 | 110.6 | F557 L577 T578 D583 A584 I585 L596 I599 L600 L603 | F557-I581 HydrophobicContact CE2-CG1 4.07Å; F557-I581 HydrophobicContact CZ-CG1 3.57Å; L577-I581 HydrophobicContact CB-CD1 4.45Å; L577-I581 VanDerWaalsContact O-CB 3.27Å; L577-I581 WeakPolarHBondContact O-CB 3.45Å; L577-I581 WeakPolarHBondContact O-CD1 3.37Å; L577-I581 WeakPolarHBondContact O-CG1 3.4Å; L577-I581 PolarHBondContact O-N 2.96Å; T578-I581 PolarHBondContact O-N 3.02Å; I581-D583 VanDerWaalsContact C-N 3.34Å; I581-D583 PolarHBondContact O-N 3.12Å; I581-A584 WeakPolarHBondContact O-CB 3.43Å; I581-A584 PolarHBondContact O-N 3.31Å; I581-I585 HydrophobicContact CG2-CD1 3.62Å; I581-I585 HydrophobicContact CG2-CG1 4.25Å; I581-I585 VanDerWaalsContact O-CG1 3.27Å; I581-I585 WeakPolarHBondContact O-CG1 3.21Å; I581-I585 PolarHBondContact O-N 2.7Å; I581-L596 HydrophobicContact CG1-CD2 4.31Å; I581-L596 HydrophobicContact CG2-CB 4Å; I581-I599 HydrophobicContact CD1-CB 3.91Å; I581-I599 HydrophobicContact CD1-CG2 3.69Å; I581-L600 HydrophobicContact CB-CD1 4.31Å; I581-L600 HydrophobicContact CG2-CB 4.06Å; I581-L600 HydrophobicContact CG2-CD1 3.82Å; I581-L600 HydrophobicContact CG2-CD2 4.29Å; I581-L600 HydrophobicContact CG2-CG 4.28Å; I581-L603 HydrophobicContact CD1-CD1 3.59Å |
| 582 | L | 96.2 | Very high | 93.2 | Very high | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.5 | -39.9 | -179.8 | -70.6 | 168.5 | 0 | 0 | 0 | 111.7 | T578 I585 N586 L600 I612 I613 N618 L622 | T578-L582 HydrophobicContact CG2-CD1 3.96Å; T578-L582 WeakPolarHBondContact O-CG 3.4Å; T578-L582 PolarHBondContact O-N 3.41Å; L582-I585 PolarHBondContact O-N 3.28Å; L582-N586 VanDerWaalsContact O-CG 3.26Å; L582-N586 PolarHBondContact O-N 2.87Å; L582-N586 VanDerWaalsContact O-N 3.08Å; L582-N586 PolarHBondContact O-ND2 2.98Å; L582-N586 VanDerWaalsContact O-ND2 3.16Å; L582-L600 HydrophobicContact CD2-CD1 4.48Å; L582-L600 HydrophobicContact CD2-CD2 3.94Å; L582-L600 HydrophobicContact CG-CD1 4.39Å; L582-I612 HydrophobicContact CD1-CG2 3.67Å; L582-I613 HydrophobicContact CD1-CG1 4.47Å; L582-N618 HydrophobicContact CD1-CB 4.28Å; L582-N618 HydrophobicContact CD2-CB 4.33Å; L582-L622 HydrophobicContact CD2-CD1 4.19Å; L582-L622 HydrophobicContact CD2-CD2 4.39Å; L582-L622 HydrophobicContact CD2-CG 4.44Å |
| 583 | D | 93.9 | Very high | 93 | Very high | 70 Ų | 70 | 42.9 Ų | 42.9 | 37% | 0.374 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.6 | -40.3 | 172.9 | 179.2 | 60.1 | 0 | 0 | 0 | 112.3 | T579 Y580 I581 N586 K587 | T579-D583 PolarHBondContact O-N 2.9Å; T579-D583 VanDerWaalsContact O-N 3.11Å; Y580-D583 PolarHBondContact O-N 3.46Å; I581-D583 VanDerWaalsContact C-N 3.34Å; I581-D583 PolarHBondContact O-N 3.12Å; D583-N586 PolarHBondContact O-N 3.45Å; D583-K587 WeakPolarHBondContact O-CD 3.48Å; D583-K587 WeakPolarHBondContact O-CG 3.23Å; D583-K587 PolarHBondContact O-N 3.45Å; D583-K587 WeakPolarHBondContact OD1-CE 3.4Å; D583-K587 IonicContact OD1-NZ 3.51Å; D583-K587 PolarHBondContact OD1-NZ 2.81Å; D583-K587 WeakPolarHBondContact OD2-CE 3.38Å; D583-K587 IonicContact OD2-NZ 2.75Å; D583-K587 PolarHBondContact OD2-NZ 2.86Å |
| 584 | A | 93.1 | Very high | 92.8 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 3% | 0.025 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.8 | -44.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L553 Y580 I581 N586 K587 W588 L596 | L553-A584 HydrophobicContact CD2-CB 3.52Å; Y580-A584 WeakPolarHBondContact O-CB 3.47Å; Y580-A584 PolarHBondContact O-N 3.37Å; I581-A584 WeakPolarHBondContact O-CB 3.43Å; I581-A584 PolarHBondContact O-N 3.31Å; A584-N586 VanDerWaalsContact C-N 3.26Å; A584-N586 PolarHBondContact O-N 3.27Å; A584-K587 PolarHBondContact O-N 3.47Å; A584-W588 PolarHBondContact O-N 2.94Å; A584-L596 HydrophobicContact CB-CD1 3.68Å |
| 585 | I | 92.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.1 | -39.1 | 176.8 | -71.5 | 169.2 | 0 | 0 | 0 | 110.8 | I581 L582 K587 I593 L596 L597 L600 L622 I625 | I581-I585 HydrophobicContact CG2-CD1 3.62Å; I581-I585 HydrophobicContact CG2-CG1 4.25Å; I581-I585 VanDerWaalsContact O-CG1 3.27Å; I581-I585 WeakPolarHBondContact O-CG1 3.21Å; I581-I585 PolarHBondContact O-N 2.7Å; L582-I585 PolarHBondContact O-N 3.28Å; I585-K587 PolarHBondContact O-N 2.96Å; I585-I593 HydrophobicContact CG1-CB 4.31Å; I585-I593 HydrophobicContact CG1-CG2 4.35Å; I585-I593 HydrophobicContact CG2-CD1 4.23Å; I585-I593 HydrophobicContact CG2-CG2 4.48Å; I585-L596 HydrophobicContact CD1-CB 4.41Å; I585-L596 HydrophobicContact CG1-CB 4.18Å; I585-L596 HydrophobicContact CG1-CD1 4.17Å; I585-L597 HydrophobicContact CD1-CD2 3.74Å; I585-L597 HydrophobicContact CD1-CG 4.33Å; I585-L600 HydrophobicContact CD1-CD2 4.01Å; I585-L622 HydrophobicContact CD1-CD2 4.09Å; I585-L622 HydrophobicContact CG2-CD2 4.28Å; I585-I625 HydrophobicContact CG2-CD1 3.32Å |
| 586 | N | 90.7 | Very high | 92.6 | Very high | 80 Ų | 80 | 37.7 Ų | 37.7 | 43% | 0.428 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -19.1 | 176.8 | -71.2 | -32.8 | 0 | 0 | 0 | 113.9 | L582 D583 A584 H621 | L582-N586 VanDerWaalsContact O-CG 3.26Å; L582-N586 PolarHBondContact O-N 2.87Å; L582-N586 VanDerWaalsContact O-N 3.08Å; L582-N586 PolarHBondContact O-ND2 2.98Å; L582-N586 VanDerWaalsContact O-ND2 3.16Å; D583-N586 PolarHBondContact O-N 3.45Å; A584-N586 VanDerWaalsContact C-N 3.26Å; A584-N586 PolarHBondContact O-N 3.27Å; N586-H621 PolarHBondContact OD1-CD2 3.31Å; N586-H621 PolarHBondContact OD1-NE2 3.25Å |
| 587 | K | 89 | Confident | 92.4 | Very high | 94 Ų | 94 | 35 Ų | 35 | 41% | 0.409 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -25.6 | -173.5 | -70.5 | 168.3 | -178.5 | 172.6 | 0 | 113.4 | I551 D583 A584 I585 | I551-K587 HydrophobicContact CD1-CB 4.05Å; I551-K587 HydrophobicContact CD1-CD 4.4Å; I551-K587 HydrophobicContact CD1-CG 4.19Å; I551-K587 HydrophobicContact CG2-CD 4.16Å; D583-K587 WeakPolarHBondContact O-CD 3.48Å; D583-K587 WeakPolarHBondContact O-CG 3.23Å; D583-K587 PolarHBondContact O-N 3.45Å; D583-K587 WeakPolarHBondContact OD1-CE 3.4Å; D583-K587 IonicContact OD1-NZ 3.51Å; D583-K587 PolarHBondContact OD1-NZ 2.81Å; D583-K587 WeakPolarHBondContact OD2-CE 3.38Å; D583-K587 IonicContact OD2-NZ 2.75Å; D583-K587 PolarHBondContact OD2-NZ 2.86Å; A584-K587 PolarHBondContact O-N 3.47Å; I585-K587 PolarHBondContact O-N 2.96Å |
| 588 | W | 90.3 | Very high | 92.3 | Very high | 18 Ų | 18 | 34.9 Ų | 34.9 | 7% | 0.068 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -94.5 | 161.2 | -175.9 | -75.4 | 27.2 | 0 | 0 | 0 | 111.6 | L542 F545 N546 S549 I551 L553 A584 I593 L596 | L542-W588 HydrophobicContact CD1-CH2 4Å; L542-W588 HydrophobicContact CD1-CZ3 4.01Å; F545-W588 HydrophobicContact CB-CE3 4.48Å; F545-W588 HydrophobicContact CB-CH2 4.11Å; F545-W588 HydrophobicContact CB-CZ3 3.63Å; N546-W588 VanDerWaalsContact CA-CH2 3.5Å; N546-W588 HydrophobicContact CB-CH2 3.96Å; N546-W588 HydrophobicContact CB-CZ2 4.26Å; N546-W588 WeakPolarHBondContact OD1-CZ2 3.25Å; S549-W588 PolarHBondContact OG-NE1 3.39Å; I551-W588 PolarHBondContact O-NE1 3.13Å; L553-W588 HydrophobicContact CD1-CH2 3.75Å; L553-W588 HydrophobicContact CD1-CZ2 3.68Å; L553-W588 HydrophobicContact CD2-CZ2 4.38Å; L553-W588 HydrophobicContact CG-CH2 4.24Å; L553-W588 HydrophobicContact CG-CZ2 3.64Å; A584-W588 PolarHBondContact O-N 2.94Å; W588-I593 HydrophobicContact CB-CG2 3.8Å; W588-L596 HydrophobicContact CE3-CD1 4.28Å |
| 589 | T | 87.5 | Confident | 92.2 | Very high | 85 Ų | 85 | 34.9 Ų | 34.9 | 52% | 0.521 | 18% | 0.183 | S | C | . | . | trans | -75.7 | 147.8 | 178.4 | 50.5 | 0 | 0 | 0 | 0 | 111.8 | D591 T592 | T589-D591 PolarHBondContact O-N 2.97Å; T589-T592 PolarHBondContact O-N 3.49Å; T589-T592 PolarHBondContact O-OG1 2.95Å; T589-T592 PolarHBondContact OG1-OG1 3.41Å | ||
| 590 | P | 84.9 | Confident | 92.2 | Very high | 45 Ų | 45 | 31.6 Ų | 31.6 | 29% | 0.292 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -25.5 | -178.6 | -29.4 | 36.1 | 0 | 0 | 0 | 116.1 | T592 I593 I625 N636 | P590-T592 VanDerWaalsContact C-N 3.35Å; P590-I593 WeakPolarHBondContact O-CG1 3.33Å; P590-I625 HydrophobicContact CB-CB 4.44Å; P590-I625 HydrophobicContact CG-CB 4.48Å; P590-I625 HydrophobicContact CG-CG2 4.24Å; P590-N636 PolarHBondContact O-ND2 3.13Å |
| 591 | D | 85.1 | Confident | 92.2 | Very high | 111 Ų | 111 | 27.1 Ų | 27.1 | 59% | 0.594 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -11.6 | -179 | -60.3 | -36.9 | 0 | 0 | 0 | 114.1 | T589 F594 | T589-D591 PolarHBondContact O-N 2.97Å; D591-F594 WeakPolarHBondContact O-CD1 3.48Å; D591-F594 WeakPolarHBondContact O-CE1 3.44Å |
| 592 | T | 89.1 | Confident | 92.1 | Very high | 26 Ų | 26 | 27.1 Ų | 27.1 | 16% | 0.16 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -3.8 | -174.3 | 57.7 | 0 | 0 | 0 | 0 | 114.2 | F545 T589 P590 P595 | F545-T592 HydrophobicContact CD1-CG2 3.99Å; F545-T592 HydrophobicContact CD2-CG2 4.36Å; F545-T592 WeakPolarHBondContact CD2-O 3.38Å; F545-T592 HydrophobicContact CE1-CG2 4.08Å; F545-T592 HydrophobicContact CE2-CG2 4.43Å; F545-T592 HydrophobicContact CG-CG2 4.11Å; F545-T592 HydrophobicContact CZ-CG2 4.27Å; T589-T592 PolarHBondContact O-N 3.49Å; T589-T592 PolarHBondContact O-OG1 2.95Å; T589-T592 PolarHBondContact OG1-OG1 3.41Å; P590-T592 VanDerWaalsContact C-N 3.35Å; T592-P595 WeakPolarHBondContact O-CD 3.37Å |
| 593 | I | 91.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | trans | -86.7 | -12.5 | -174.5 | 60.3 | 172.1 | 0 | 0 | 0 | 114.7 | I585 W588 P590 P595 L596 L597 I625 | I585-I593 HydrophobicContact CG1-CB 4.31Å; I585-I593 HydrophobicContact CG1-CG2 4.35Å; I585-I593 HydrophobicContact CG2-CD1 4.23Å; I585-I593 HydrophobicContact CG2-CG2 4.48Å; W588-I593 HydrophobicContact CB-CG2 3.8Å; P590-I593 WeakPolarHBondContact O-CG1 3.33Å; I593-P595 VanDerWaalsContact C-N 3.32Å; I593-L596 WeakPolarHBondContact O-CA 3.41Å; I593-L596 VanDerWaalsContact O-CB 3.3Å; I593-L596 WeakPolarHBondContact O-CB 3.32Å; I593-L596 PolarHBondContact O-N 3.44Å; I593-L597 HydrophobicContact CD1-CD1 3.98Å; I593-L597 HydrophobicContact CD1-CG 4.43Å; I593-L597 HydrophobicContact CG1-CD1 4.13Å; I593-L597 PolarHBondContact O-N 3.44Å; I593-I625 HydrophobicContact CD1-CB 4.09Å; I593-I625 HydrophobicContact CD1-CD1 3.29Å; I593-I625 HydrophobicContact CD1-CG1 3.75Å | ||
| 594 | F | 90.9 | Very high | 92.2 | Very high | 22 Ų | 22 | 23.4 Ų | 23.4 | 10% | 0.096 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.2 | -31.6 | -173.1 | 64 | -104.8 | 0 | 0 | 0 | 114.7 | Y498 K541 F545 D591 L596 L597 D598 A635 L639 | Y498-F594 AromaticContact CD1-CD2 3.19Å; Y498-F594 HydrophobicContact CD1-CD2 3.19Å; Y498-F594 AromaticContact CD1-CE2 3.34Å; Y498-F594 HydrophobicContact CD1-CE2 3.34Å; Y498-F594 HydrophobicContact CD1-CG 4.4Å; Y498-F594 AromaticContact CE1-CD2 3.71Å; Y498-F594 HydrophobicContact CE1-CD2 3.71Å; Y498-F594 HydrophobicContact CE1-CE2 4.29Å; Y498-F594 HydrophobicContact CG-CD2 4.15Å; Y498-F594 AromaticContact CG-CE2 3.89Å; Y498-F594 HydrophobicContact CG-CE2 3.89Å; K541-F594 HydrophobicContact CG-CE2 3.78Å; K541-F594 HydrophobicContact CG-CZ 3.76Å; F545-F594 HydrophobicContact CD2-CZ 4.48Å; F545-F594 HydrophobicContact CE2-CD1 4.24Å; F545-F594 AromaticContact CE2-CE1 3.41Å; F545-F594 HydrophobicContact CE2-CE1 3.41Å; F545-F594 VanDerWaalsContact CE2-CE1 3.41Å; F545-F594 AromaticContact CE2-CE2 3.98Å; F545-F594 HydrophobicContact CE2-CE2 3.98Å; F545-F594 AromaticContact CE2-CZ 3.26Å; F545-F594 HydrophobicContact CE2-CZ 3.26Å; F545-F594 AromaticContact CZ-CE1 3.58Å; F545-F594 HydrophobicContact CZ-CE1 3.58Å; F545-F594 AromaticContact CZ-CZ 3.53Å; F545-F594 HydrophobicContact CZ-CZ 3.53Å; D591-F594 WeakPolarHBondContact O-CD1 3.48Å; D591-F594 WeakPolarHBondContact O-CE1 3.44Å; F594-L596 VanDerWaalsContact C-N 3.28Å; F594-L596 PolarHBondContact O-N 2.88Å; F594-L597 PolarHBondContact O-N 3.36Å; F594-D598 PolarHBondContact O-N 2.94Å; F594-D598 VanDerWaalsContact O-N 3.1Å; F594-A635 HydrophobicContact CB-CB 3.97Å; F594-A635 HydrophobicContact CD1-CB 4.34Å; F594-A635 HydrophobicContact CG-CB 4.2Å; F594-L639 HydrophobicContact CB-CD1 3.78Å; F594-L639 WeakPolarHBondContact O-CD1 3.44Å |
| 595 | P | 93.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.1 | -36.6 | 175 | -19.2 | 33.7 | 0 | 0 | 0 | 111.5 | L538 K541 L542 F545 T592 I593 D598 I599 | L538-P595 HydrophobicContact CD2-CB 4.11Å; L538-P595 HydrophobicContact CG-CB 4.11Å; K541-P595 HydrophobicContact CB-CG 4.38Å; K541-P595 HydrophobicContact CG-CG 4.27Å; L542-P595 HydrophobicContact CB-CB 3.92Å; L542-P595 HydrophobicContact CB-CG 4.48Å; L542-P595 HydrophobicContact CD1-CB 4.28Å; F545-P595 HydrophobicContact CD2-CG 3.97Å; F545-P595 HydrophobicContact CE2-CG 4.08Å; T592-P595 WeakPolarHBondContact O-CD 3.37Å; I593-P595 VanDerWaalsContact C-N 3.32Å; P595-D598 PolarHBondContact O-N 2.74Å; P595-I599 PolarHBondContact O-N 3.28Å |
| 596 | L | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68 | -43.5 | 177.3 | -63.3 | 172.5 | 0 | 0 | 0 | 111.3 | L542 L553 F557 I581 A584 I585 W588 I593 F594 D598 I599 L600 | L542-L596 HydrophobicContact CD1-CD2 3.67Å; L542-L596 HydrophobicContact CD1-CG 3.92Å; L542-L596 HydrophobicContact CD2-CD2 4.26Å; L553-L596 HydrophobicContact CD1-CD2 4.3Å; F557-L596 HydrophobicContact CE1-CD2 4.15Å; F557-L596 HydrophobicContact CZ-CD2 4.33Å; I581-L596 HydrophobicContact CG1-CD2 4.31Å; I581-L596 HydrophobicContact CG2-CB 4Å; A584-L596 HydrophobicContact CB-CD1 3.68Å; I585-L596 HydrophobicContact CD1-CB 4.41Å; I585-L596 HydrophobicContact CG1-CB 4.18Å; I585-L596 HydrophobicContact CG1-CD1 4.17Å; W588-L596 HydrophobicContact CE3-CD1 4.28Å; I593-L596 WeakPolarHBondContact O-CA 3.41Å; I593-L596 VanDerWaalsContact O-CB 3.3Å; I593-L596 WeakPolarHBondContact O-CB 3.32Å; I593-L596 PolarHBondContact O-N 3.44Å; F594-L596 VanDerWaalsContact C-N 3.28Å; F594-L596 PolarHBondContact O-N 2.88Å; L596-D598 PolarHBondContact O-N 3.1Å; L596-I599 PolarHBondContact O-N 3.49Å; L596-L600 WeakPolarHBondContact O-CB 3.31Å; L596-L600 PolarHBondContact O-N 2.97Å |
| 597 | L | 94.6 | Very high | 92.6 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.5 | -32.2 | 175.3 | -72 | 177 | 0 | 0 | 0 | 112.4 | I585 I593 F594 L600 R601 L622 N636 L639 M640 | I585-L597 HydrophobicContact CD1-CD2 3.74Å; I585-L597 HydrophobicContact CD1-CG 4.33Å; I593-L597 HydrophobicContact CD1-CD1 3.98Å; I593-L597 HydrophobicContact CD1-CG 4.43Å; I593-L597 HydrophobicContact CG1-CD1 4.13Å; I593-L597 PolarHBondContact O-N 3.44Å; F594-L597 PolarHBondContact O-N 3.36Å; L597-L600 HydrophobicContact CD2-CD2 4.18Å; L597-L600 PolarHBondContact O-N 3.31Å; L597-R601 PolarHBondContact O-N 3.5Å; L597-L622 HydrophobicContact CD2-CD2 3.74Å; L597-N636 HydrophobicContact CD1-CB 3.97Å; L597-L639 HydrophobicContact CB-CB 3.97Å; L597-L639 HydrophobicContact CB-CD1 3.7Å; L597-L639 HydrophobicContact CB-CG 4.47Å; L597-M640 HydrophobicContact CD2-SD 4.2Å |
| 598 | D | 94.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -72.3 | -34.5 | 179.5 | -164.8 | 62.8 | 0 | 0 | 0 | 113.6 | Y498 I533 L538 F594 P595 L596 R601 L639 | Y498-D598 HydrophobicContact CE1-CB 4.19Å; Y498-D598 WeakPolarHBondContact OH-CB 3.14Å; Y498-D598 PolarHBondContact OH-OD1 3.34Å; Y498-D598 PolarHBondContact OH-OD2 2.82Å; I533-D598 WeakPolarHBondContact CD1-OD2 3.16Å; I533-D598 WeakPolarHBondContact CG1-OD2 3.33Å; L538-D598 HydrophobicContact CD1-CB 3.85Å; F594-D598 PolarHBondContact O-N 2.94Å; F594-D598 VanDerWaalsContact O-N 3.1Å; P595-D598 PolarHBondContact O-N 2.74Å; L596-D598 PolarHBondContact O-N 3.1Å; D598-R601 VanDerWaalsContact CG-NH2 3.26Å; D598-R601 WeakPolarHBondContact O-CG 3.48Å; D598-R601 IonicContact OD1-CZ 2.68Å; D598-R601 IonicContact OD1-NE 3.35Å; D598-R601 PolarHBondContact OD1-NE 3.27Å; D598-R601 IonicContact OD1-NH2 3.87Å; D598-R601 PolarHBondContact OD1-NH2 3.05Å; D598-R601 IonicContact OD2-CZ 2.74Å; D598-R601 IonicContact OD2-NH2 3.11Å; D598-R601 PolarHBondContact OD2-NH2 3.12Å; D598-L639 HydrophobicContact CB-CD1 4.16Å; D598-L639 HydrophobicContact CB-CD2 3.79Å; D598-L639 WeakPolarHBondContact OD1-CD2 3.44Å |
| 599 | I | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69 | -45.1 | 168.6 | -57.6 | 177.9 | 0 | 0 | 0 | 109.3 | I533 L538 C561 F564 I581 P595 L596 R601 C602 L603 | I533-I599 HydrophobicContact CD1-CG1 4.08Å; L538-I599 HydrophobicContact CD1-CG1 3.93Å; L538-I599 HydrophobicContact CD2-CD1 3.81Å; L538-I599 HydrophobicContact CD2-CG1 3.99Å; C561-I599 HydrophobicContact CB-CD1 3.75Å; F564-I599 HydrophobicContact CD1-CG2 4.02Å; F564-I599 HydrophobicContact CE1-CG2 4.25Å; F564-I599 HydrophobicContact CG-CG2 4.28Å; I581-I599 HydrophobicContact CD1-CB 3.91Å; I581-I599 HydrophobicContact CD1-CG2 3.69Å; P595-I599 PolarHBondContact O-N 3.28Å; L596-I599 PolarHBondContact O-N 3.49Å; I599-R601 VanDerWaalsContact C-N 3.3Å; I599-R601 PolarHBondContact O-N 3.49Å; I599-C602 WeakPolarHBondContact O-CB 3.31Å; I599-C602 PolarHBondContact O-N 3.05Å; I599-L603 HydrophobicContact CG2-CD1 3.99Å; I599-L603 HydrophobicContact CG2-CG 4.3Å; I599-L603 PolarHBondContact O-N 2.98Å |
| 600 | L | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -55.9 | -41.3 | -176.9 | -165.9 | 65.2 | 0 | 0 | 0 | 112.9 | T578 I581 L582 I585 L596 L597 C602 L603 I613 L622 | T578-L600 HydrophobicContact CG2-CD1 4.18Å; I581-L600 HydrophobicContact CB-CD1 4.31Å; I581-L600 HydrophobicContact CG2-CB 4.06Å; I581-L600 HydrophobicContact CG2-CD1 3.82Å; I581-L600 HydrophobicContact CG2-CD2 4.29Å; I581-L600 HydrophobicContact CG2-CG 4.28Å; L582-L600 HydrophobicContact CD2-CD1 4.48Å; L582-L600 HydrophobicContact CD2-CD2 3.94Å; L582-L600 HydrophobicContact CG-CD1 4.39Å; I585-L600 HydrophobicContact CD1-CD2 4.01Å; L596-L600 WeakPolarHBondContact O-CB 3.31Å; L596-L600 PolarHBondContact O-N 2.97Å; L597-L600 HydrophobicContact CD2-CD2 4.18Å; L597-L600 PolarHBondContact O-N 3.31Å; L600-C602 PolarHBondContact O-N 3.17Å; L600-C602 VanDerWaalsContact O-N 3.17Å; L600-L603 PolarHBondContact O-N 3.09Å; L600-L603 VanDerWaalsContact O-N 3.1Å; L600-I613 HydrophobicContact CD1-CD1 3.8Å; L600-I613 HydrophobicContact CD1-CG1 3.8Å; L600-I613 HydrophobicContact CG-CD1 4.1Å; L600-I613 HydrophobicContact CG-CG1 4.27Å; L600-L622 HydrophobicContact CD2-CD1 4.23Å; L600-L622 HydrophobicContact CD2-CD2 4.16Å |
| 601 | R | 95.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.1 | -21.8 | 177.8 | 64.8 | 140.8 | 174.3 | 115.7 | 11.1 | 114.2 | M530 S532 L597 D598 I599 V604 L643 N646 | M530-R601 PolarHBondContact O-NH1 2.91Å; S532-R601 VanDerWaalsContact O-CZ 3.27Å; S532-R601 PolarHBondContact O-NH1 2.99Å; S532-R601 PolarHBondContact O-NH2 3.31Å; L597-R601 PolarHBondContact O-N 3.5Å; D598-R601 VanDerWaalsContact CG-NH2 3.26Å; D598-R601 WeakPolarHBondContact O-CG 3.48Å; D598-R601 IonicContact OD1-CZ 2.68Å; D598-R601 IonicContact OD1-NE 3.35Å; D598-R601 PolarHBondContact OD1-NE 3.27Å; D598-R601 IonicContact OD1-NH2 3.87Å; D598-R601 PolarHBondContact OD1-NH2 3.05Å; D598-R601 IonicContact OD2-CZ 2.74Å; D598-R601 IonicContact OD2-NH2 3.11Å; D598-R601 PolarHBondContact OD2-NH2 3.12Å; I599-R601 VanDerWaalsContact C-N 3.3Å; I599-R601 PolarHBondContact O-N 3.49Å; R601-V604 WeakPolarHBondContact O-CG1 3.43Å; R601-L643 HydrophobicContact CB-CB 3.87Å; R601-L643 HydrophobicContact CB-CD1 4.38Å; R601-N646 WeakPolarHBondContact O-CB 3.44Å; R601-N646 PolarHBondContact O-ND2 3.47Å |
| 602 | C | 95 | Very high | 94.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -88.5 | -28.1 | 177.2 | -66.7 | 0 | 0 | 0 | 0 | 111.3 | F564 I566 I599 L600 V604 F605 W606 | F564-C602 HydrophobicContact CE1-CB 3.75Å; F564-C602 HydrophobicContact CZ-CB 3.69Å; I566-C602 HydrophobicContact CD1-CB 4.11Å; I599-C602 WeakPolarHBondContact O-CB 3.31Å; I599-C602 PolarHBondContact O-N 3.05Å; L600-C602 PolarHBondContact O-N 3.17Å; L600-C602 VanDerWaalsContact O-N 3.17Å; C602-V604 PolarHBondContact O-N 3.37Å; C602-F605 WeakPolarHBondContact O-CD2 3.48Å; C602-F605 PolarHBondContact O-N 3.43Å; C602-W606 WeakPolarHBondContact O-CZ3 3.22Å |
| 603 | L | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -72.1 | -14 | -179.6 | -66.8 | 171.4 | 0 | 0 | 0 | 114 | F564 A574 L577 I581 I599 L600 F605 W606 S609 | F564-L603 HydrophobicContact CD2-CD2 4.16Å; F564-L603 HydrophobicContact CE2-CD2 3.51Å; F564-L603 HydrophobicContact CE2-CG 4.35Å; F564-L603 HydrophobicContact CZ-CD2 4.06Å; F564-L603 HydrophobicContact CZ-CG 4.47Å; A574-L603 HydrophobicContact CB-CD2 4Å; L577-L603 HydrophobicContact CB-CD1 3.72Å; L577-L603 HydrophobicContact CB-CD2 4.26Å; L577-L603 HydrophobicContact CD1-CD2 4.26Å; I581-L603 HydrophobicContact CD1-CD1 3.59Å; I599-L603 HydrophobicContact CG2-CD1 3.99Å; I599-L603 HydrophobicContact CG2-CG 4.3Å; I599-L603 PolarHBondContact O-N 2.98Å; L600-L603 PolarHBondContact O-N 3.09Å; L600-L603 VanDerWaalsContact O-N 3.1Å; L603-F605 PolarHBondContact O-N 3.05Å; L603-F605 VanDerWaalsContact O-N 3.11Å; L603-W606 HydrophobicContact CD2-CE3 4.5Å; L603-W606 HydrophobicContact CD2-CZ3 4.39Å; L603-W606 PolarHBondContact O-N 3.43Å; L603-S609 VanDerWaalsContact O-CB 3.24Å; L603-S609 WeakPolarHBondContact O-CB 3.34Å |
| 604 | V | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -16.7 | 174.8 | 76.7 | 0 | 0 | 0 | 0 | 113.5 | R601 C602 W606 I613 F614 L643 N646 | R601-V604 WeakPolarHBondContact O-CG1 3.43Å; C602-V604 PolarHBondContact O-N 3.37Å; V604-W606 PolarHBondContact O-N 2.7Å; V604-I613 HydrophobicContact CB-CD1 4.41Å; V604-F614 HydrophobicContact CG2-CE2 3.75Å; V604-L643 HydrophobicContact CB-CD1 4.03Å; V604-L643 HydrophobicContact CG1-CD1 4.44Å; V604-L643 HydrophobicContact CG2-CD1 4.32Å; V604-N646 HydrophobicContact CG1-CB 3.53Å |
| 605 | F | 95.3 | Very high | 95.4 | Very high | 27 Ų | 27 | 19.7 Ų | 19.7 | 12% | 0.118 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -4.4 | 176.4 | -75.7 | -79.6 | 0 | 0 | 0 | 114 | K531 I566 C602 L603 N646 A649 A650 R654 | K531-F605 HydrophobicContact CD-CE2 4.16Å; K531-F605 HydrophobicContact CD-CZ 4.13Å; K531-F605 HydrophobicContact CG-CD2 4.27Å; K531-F605 HydrophobicContact CG-CE2 3.57Å; K531-F605 HydrophobicContact CG-CZ 3.85Å; I566-F605 HydrophobicContact CD1-CD2 3.96Å; I566-F605 HydrophobicContact CD1-CE2 4.45Å; C602-F605 WeakPolarHBondContact O-CD2 3.48Å; C602-F605 PolarHBondContact O-N 3.43Å; L603-F605 PolarHBondContact O-N 3.05Å; L603-F605 VanDerWaalsContact O-N 3.11Å; F605-N646 HydrophobicContact CE2-CB 3.75Å; F605-N646 HydrophobicContact CZ-CB 4.07Å; F605-A649 HydrophobicContact CE1-CB 4.42Å; F605-A649 HydrophobicContact CZ-CB 4.29Å; F605-A650 HydrophobicContact CD1-CB 3.55Å; F605-A650 HydrophobicContact CE1-CB 3.72Å; F605-A650 HydrophobicContact CG-CB 4.13Å; F605-A650 HydrophobicContact CZ-CB 4.43Å; F605-R654 PolarHBondContact O-NH2 3.02Å |
| 606 | W | 95.8 | Very high | 95.4 | Very high | 33 Ų | 33 | 24.3 Ų | 24.3 | 13% | 0.125 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -104 | 126.3 | 170.7 | -70.8 | -98.8 | 0 | 0 | 0 | 110.1 | F564 I566 C569 A574 C602 L603 V604 I608 S609 S610 | F564-W606 HydrophobicContact CE2-CH2 4.35Å; F564-W606 HydrophobicContact CE2-CZ3 4.4Å; I566-W606 HydrophobicContact CG1-CH2 3.86Å; I566-W606 HydrophobicContact CG1-CZ3 4.14Å; C569-W606 HydrophobicContact CB-CH2 3.93Å; C569-W606 HydrophobicContact CB-CZ2 3.67Å; C569-W606 VanDerWaalsContact O-CZ2 3.29Å; C569-W606 WeakPolarHBondContact O-CZ2 3.37Å; C569-W606 PolarHBondContact O-NE1 3.01Å; A574-W606 HydrophobicContact CB-CB 3.99Å; A574-W606 HydrophobicContact CB-CD2 3.48Å; A574-W606 VanDerWaalsContact CB-CD2 3.48Å; A574-W606 HydrophobicContact CB-CE3 3.89Å; A574-W606 HydrophobicContact CB-CG 3.51Å; C602-W606 WeakPolarHBondContact O-CZ3 3.22Å; L603-W606 HydrophobicContact CD2-CE3 4.5Å; L603-W606 HydrophobicContact CD2-CZ3 4.39Å; L603-W606 PolarHBondContact O-N 3.43Å; V604-W606 PolarHBondContact O-N 2.7Å; W606-I608 PolarHBondContact O-N 3Å; W606-S609 WeakPolarHBondContact O-CB 3.22Å; W606-S609 PolarHBondContact O-N 3.02Å; W606-S609 VanDerWaalsContact O-N 3.14Å; W606-S610 PolarHBondContact O-N 2.9Å |
| 607 | P | 92.9 | Very high | 95.4 | Very high | 58 Ų | 58 | 28.7 Ų | 28.7 | 38% | 0.377 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -54.1 | -46.4 | -173.3 | -24.1 | 30.1 | 0 | 0 | 0 | 114.1 | S610 D611 | P607-S610 WeakPolarHBondContact O-CB 3.5Å; P607-S610 PolarHBondContact O-N 3.07Å; P607-D611 PolarHBondContact O-N 3.45Å |
| 608 | I | 95.4 | Very high | 95.4 | Very high | 78 Ų | 78 | 29.9 Ų | 29.9 | 40% | 0.4 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65.3 | -43.2 | 179.9 | -58.4 | 177 | 0 | 0 | 0 | 110.6 | E571 V575 W606 S610 D611 I612 | E571-I608 HydrophobicContact CG-CD1 4.22Å; E571-I608 WeakPolarHBondContact OE1-CD1 3.18Å; V575-I608 HydrophobicContact CG2-CB 3.78Å; V575-I608 HydrophobicContact CG2-CG2 3.58Å; W606-I608 PolarHBondContact O-N 3Å; I608-S610 VanDerWaalsContact C-N 3.35Å; I608-S610 PolarHBondContact O-N 2.73Å; I608-D611 PolarHBondContact O-N 2.71Å; I608-I612 HydrophobicContact CG2-CD1 4.07Å; I608-I612 VanDerWaalsContact O-CG1 3.31Å; I608-I612 WeakPolarHBondContact O-CG1 3.3Å; I608-I612 PolarHBondContact O-N 2.57Å |
| 609 | S | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.2 | -42.2 | 174.9 | -60.5 | 0 | 0 | 0 | 0 | 112 | A574 V575 T578 L603 W606 D611 I612 I613 | A574-S609 VanDerWaalsContact C-OG 3.32Å; A574-S609 PolarHBondContact O-OG 3.23Å; V575-S609 PolarHBondContact N-OG 3.49Å; T578-S609 VanDerWaalsContact OG1-CB 3.31Å; T578-S609 WeakPolarHBondContact OG1-CB 3.38Å; T578-S609 PolarHBondContact OG1-OG 2.95Å; L603-S609 VanDerWaalsContact O-CB 3.24Å; L603-S609 WeakPolarHBondContact O-CB 3.34Å; W606-S609 WeakPolarHBondContact O-CB 3.22Å; W606-S609 PolarHBondContact O-N 3.02Å; W606-S609 VanDerWaalsContact O-N 3.14Å; S609-D611 PolarHBondContact O-N 3.1Å; S609-I612 PolarHBondContact O-N 3.39Å; S609-I613 WeakPolarHBondContact O-CD1 3.38Å; S609-I613 WeakPolarHBondContact O-CG1 3.3Å; S609-I613 PolarHBondContact O-N 2.87Å |
| 610 | S | 96.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.1 | -47.5 | 174 | -169.2 | 0 | 0 | 0 | 0 | 111.1 | W606 P607 I608 I612 I613 F614 D651 | W606-S610 PolarHBondContact O-N 2.9Å; P607-S610 WeakPolarHBondContact O-CB 3.5Å; P607-S610 PolarHBondContact O-N 3.07Å; I608-S610 VanDerWaalsContact C-N 3.35Å; I608-S610 PolarHBondContact O-N 2.73Å; S610-I612 VanDerWaalsContact C-N 3.3Å; S610-I612 PolarHBondContact O-N 2.79Å; S610-I613 PolarHBondContact O-N 3.44Å; S610-F614 VanDerWaalsContact O-CD2 3.31Å; S610-F614 WeakPolarHBondContact O-CD2 3.06Å; S610-F614 PolarHBondContact O-N 2.94Å; S610-D651 PolarHBondContact OG-OD2 3.41Å |
| 611 | D | 95.3 | Very high | 95.1 | Very high | 81 Ų | 81 | 37.8 Ų | 37.8 | 43% | 0.433 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.9 | -36.1 | 178.2 | -81.2 | -23.3 | 0 | 0 | 0 | 113.2 | P607 I608 S609 E615 | P607-D611 PolarHBondContact O-N 3.45Å; I608-D611 PolarHBondContact O-N 2.71Å; S609-D611 PolarHBondContact O-N 3.1Å; D611-E615 PolarHBondContact O-N 3.23Å; D611-E615 VanDerWaalsContact O-N 3.14Å |
| 612 | I | 96.9 | Very high | 95 | Very high | 38 Ų | 38 | 37.9 Ų | 37.9 | 20% | 0.195 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.6 | -47.8 | 175.8 | -65.4 | 166.1 | 0 | 0 | 0 | 110.8 | V575 T578 L582 I608 S609 S610 F614 E615 N618 | V575-I612 HydrophobicContact CG1-CD1 3.95Å; T578-I612 HydrophobicContact CG2-CB 4.25Å; T578-I612 HydrophobicContact CG2-CG2 4.05Å; L582-I612 HydrophobicContact CD1-CG2 3.67Å; I608-I612 HydrophobicContact CG2-CD1 4.07Å; I608-I612 VanDerWaalsContact O-CG1 3.31Å; I608-I612 WeakPolarHBondContact O-CG1 3.3Å; I608-I612 PolarHBondContact O-N 2.57Å; S609-I612 PolarHBondContact O-N 3.39Å; S610-I612 VanDerWaalsContact C-N 3.3Å; S610-I612 PolarHBondContact O-N 2.79Å; I612-F614 VanDerWaalsContact C-N 3.29Å; I612-F614 PolarHBondContact O-N 2.99Å; I612-E615 VanDerWaalsContact O-CB 3.31Å; I612-E615 WeakPolarHBondContact O-CB 3.41Å; I612-E615 PolarHBondContact O-N 2.9Å; I612-N618 PolarHBondContact O-ND2 3.42Å |
| 613 | I | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.5 | -44 | -179.9 | -68.7 | 164.5 | 0 | 0 | 0 | 110.8 | T578 L582 L600 V604 S609 S610 E615 L622 L643 | T578-I613 HydrophobicContact CG2-CD1 4.05Å; T578-I613 HydrophobicContact CG2-CG1 3.57Å; L582-I613 HydrophobicContact CD1-CG1 4.47Å; L600-I613 HydrophobicContact CD1-CD1 3.8Å; L600-I613 HydrophobicContact CD1-CG1 3.8Å; L600-I613 HydrophobicContact CG-CD1 4.1Å; L600-I613 HydrophobicContact CG-CG1 4.27Å; V604-I613 HydrophobicContact CB-CD1 4.41Å; S609-I613 WeakPolarHBondContact O-CD1 3.38Å; S609-I613 WeakPolarHBondContact O-CG1 3.3Å; S609-I613 PolarHBondContact O-N 2.87Å; S610-I613 PolarHBondContact O-N 3.44Å; I613-E615 VanDerWaalsContact C-N 3.33Å; I613-L622 HydrophobicContact CG2-CD1 4.14Å; I613-L643 HydrophobicContact CG2-CD1 4.3Å; I613-L643 HydrophobicContact CG2-CD2 4.1Å |
| 614 | F | 96.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 14.7 | -178.2 | -67.5 | -78.2 | 0 | 0 | 0 | 113.4 | V604 S610 I612 W619 L643 L644 K684 S685 T688 | V604-F614 HydrophobicContact CG2-CE2 3.75Å; S610-F614 VanDerWaalsContact O-CD2 3.31Å; S610-F614 WeakPolarHBondContact O-CD2 3.06Å; S610-F614 PolarHBondContact O-N 2.94Å; I612-F614 VanDerWaalsContact C-N 3.29Å; I612-F614 PolarHBondContact O-N 2.99Å; F614-W619 HydrophobicContact CD1-CD2 4.26Å; F614-W619 AromaticContact CD1-CE3 3.93Å; F614-W619 HydrophobicContact CD1-CE3 3.93Å; F614-W619 HydrophobicContact CD1-CZ3 4.34Å; F614-W619 HydrophobicContact CE1-CD2 4.46Å; F614-W619 AromaticContact CE1-CE3 3.84Å; F614-W619 HydrophobicContact CE1-CE3 3.84Å; F614-W619 HydrophobicContact CE1-CH2 4.39Å; F614-W619 AromaticContact CE1-CZ3 3.78Å; F614-W619 HydrophobicContact CE1-CZ3 3.78Å; F614-L643 HydrophobicContact CZ-CG 4.37Å; F614-L644 HydrophobicContact CE1-CD2 4.27Å; F614-K684 HydrophobicContact CB-CB 3.78Å; F614-K684 WeakPolarHBondContact O-CD 3.42Å; F614-S685 VanDerWaalsContact CD2-CB 3.43Å; F614-T688 HydrophobicContact CD1-CG2 3.68Å; F614-T688 HydrophobicContact CE1-CG2 3.67Å |
| 615 | E | 95 | Very high | 94.2 | Very high | 89 Ų | 89 | 41.5 Ų | 41.5 | 42% | 0.416 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -61.9 | 139 | 164.1 | -169.9 | 173.9 | -166.7 | 0 | 0 | 109.8 | D611 I612 I613 T617 N618 W619 | D611-E615 PolarHBondContact O-N 3.23Å; D611-E615 VanDerWaalsContact O-N 3.14Å; I612-E615 VanDerWaalsContact O-CB 3.31Å; I612-E615 WeakPolarHBondContact O-CB 3.41Å; I612-E615 PolarHBondContact O-N 2.9Å; I613-E615 VanDerWaalsContact C-N 3.33Å; E615-T617 PolarHBondContact O-N 3.18Å; E615-T617 VanDerWaalsContact O-N 3.12Å; E615-N618 PolarHBondContact O-N 2.97Å; E615-N618 VanDerWaalsContact O-N 3.09Å; E615-W619 WeakPolarHBondContact O-CB 3.28Å; E615-W619 PolarHBondContact O-N 3.04Å |
| 616 | T | 92.5 | Very high | 93.9 | Very high | 96 Ų | 96 | 40.2 Ų | 40.2 | 59% | 0.589 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -53.9 | -40 | -169.5 | -54.9 | 0 | 0 | 0 | 0 | 113.2 | N620 | T616-N620 VanDerWaalsContact O-CB 3.27Å; T616-N620 WeakPolarHBondContact O-CB 3.38Å; T616-N620 PolarHBondContact O-N 2.77Å; T616-N620 VanDerWaalsContact O-N 3.09Å; T616-N620 PolarHBondContact O-ND2 3.13Å; T616-N620 VanDerWaalsContact O-ND2 3.11Å |
| 617 | T | 94.1 | Very high | 93.5 | Very high | 93 Ų | 93 | 38.7 Ų | 38.7 | 57% | 0.571 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -64.8 | -51.5 | 178 | 45.1 | 0 | 0 | 0 | 0 | 111.7 | E615 H621 | E615-T617 PolarHBondContact O-N 3.18Å; E615-T617 VanDerWaalsContact O-N 3.12Å; T617-H621 PolarHBondContact O-N 2.92Å |
| 618 | N | 95.4 | Very high | 93.2 | Very high | 28 Ų | 28 | 40 Ų | 40 | 15% | 0.15 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -46.6 | -179.1 | -63.5 | -29.2 | 0 | 0 | 0 | 111.2 | L582 I612 E615 N620 H621 L622 | L582-N618 HydrophobicContact CD1-CB 4.28Å; L582-N618 HydrophobicContact CD2-CB 4.33Å; I612-N618 PolarHBondContact O-ND2 3.42Å; E615-N618 PolarHBondContact O-N 2.97Å; E615-N618 VanDerWaalsContact O-N 3.09Å; N618-N620 PolarHBondContact O-N 2.99Å; N618-H621 PolarHBondContact O-N 3.02Å; N618-L622 WeakPolarHBondContact O-CG 3.43Å; N618-L622 PolarHBondContact O-N 3.34Å |
| 619 | W | 94.5 | Very high | 92.5 | Very high | 21 Ų | 21 | 37.5 Ų | 37.5 | 8% | 0.08 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -42.7 | 179.9 | 177.9 | -112.6 | 0 | 0 | 0 | 113 | F614 E615 H621 L622 L623 M640 L643 L644 T688 | F614-W619 HydrophobicContact CD1-CD2 4.26Å; F614-W619 AromaticContact CD1-CE3 3.93Å; F614-W619 HydrophobicContact CD1-CE3 3.93Å; F614-W619 HydrophobicContact CD1-CZ3 4.34Å; F614-W619 HydrophobicContact CE1-CD2 4.46Å; F614-W619 AromaticContact CE1-CE3 3.84Å; F614-W619 HydrophobicContact CE1-CE3 3.84Å; F614-W619 HydrophobicContact CE1-CH2 4.39Å; F614-W619 AromaticContact CE1-CZ3 3.78Å; F614-W619 HydrophobicContact CE1-CZ3 3.78Å; E615-W619 WeakPolarHBondContact O-CB 3.28Å; E615-W619 PolarHBondContact O-N 3.04Å; W619-H621 VanDerWaalsContact C-N 3.26Å; W619-H621 PolarHBondContact O-N 2.93Å; W619-L622 HydrophobicContact CE3-CB 4.35Å; W619-L622 HydrophobicContact CE3-CD1 4.22Å; W619-L622 PolarHBondContact O-N 2.86Å; W619-L623 HydrophobicContact CD2-CG 4.28Å; W619-L623 HydrophobicContact CH2-CD2 4.14Å; W619-L623 HydrophobicContact CH2-CG 4.49Å; W619-L623 HydrophobicContact CZ2-CD1 4.1Å; W619-L623 HydrophobicContact CZ2-CD2 3.5Å; W619-L623 HydrophobicContact CZ2-CG 3.72Å; W619-L623 PolarHBondContact O-N 2.86Å; W619-M640 HydrophobicContact CE3-CE 4.16Å; W619-M640 HydrophobicContact CH2-CE 3.51Å; W619-M640 HydrophobicContact CZ3-CE 3.24Å; W619-L643 HydrophobicContact CZ3-CD2 4.38Å; W619-L644 HydrophobicContact CH2-CD2 3.78Å; W619-L644 HydrophobicContact CH2-CG 4.38Å; W619-L644 HydrophobicContact CZ2-CD2 4.45Å; W619-L644 HydrophobicContact CZ3-CD2 4.4Å; W619-T688 HydrophobicContact CD2-CG2 3.59Å; W619-T688 HydrophobicContact CE3-CG2 4.14Å; W619-T688 HydrophobicContact CG-CG2 4.13Å; W619-T688 HydrophobicContact CH2-CG2 3.82Å; W619-T688 HydrophobicContact CZ2-CG2 3.21Å; W619-T688 HydrophobicContact CZ3-CG2 4.22Å; W619-T688 VanDerWaalsContact NE1-CG2 3.29Å |
| 620 | N | 93 | Very high | 91.4 | Very high | 92 Ų | 92 | 43.3 Ų | 43.3 | 49% | 0.492 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.2 | -37.4 | 176.8 | -75.9 | -19.4 | 0 | 0 | 0 | 111.8 | T616 N618 L623 S624 | T616-N620 VanDerWaalsContact O-CB 3.27Å; T616-N620 WeakPolarHBondContact O-CB 3.38Å; T616-N620 PolarHBondContact O-N 2.77Å; T616-N620 VanDerWaalsContact O-N 3.09Å; T616-N620 PolarHBondContact O-ND2 3.13Å; T616-N620 VanDerWaalsContact O-ND2 3.11Å; N618-N620 PolarHBondContact O-N 2.99Å; N620-L623 PolarHBondContact O-N 2.91Å; N620-S624 PolarHBondContact O-N 3.35Å; N620-S624 VanDerWaalsContact O-N 3.08Å |
| 621 | H | 92.4 | Very high | 90.4 | Very high | 55 Ų | 55 | 50.1 Ų | 50.1 | 26% | 0.255 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.3 | -46.8 | 174.8 | -171.9 | 63.7 | 0 | 0 | 0 | 111.7 | N586 T617 N618 W619 L623 S624 I625 | N586-H621 PolarHBondContact OD1-CD2 3.31Å; N586-H621 PolarHBondContact OD1-NE2 3.25Å; T617-H621 PolarHBondContact O-N 2.92Å; N618-H621 PolarHBondContact O-N 3.02Å; W619-H621 VanDerWaalsContact C-N 3.26Å; W619-H621 PolarHBondContact O-N 2.93Å; H621-L623 PolarHBondContact O-N 2.81Å; H621-S624 WeakPolarHBondContact O-CB 3.23Å; H621-S624 PolarHBondContact O-N 2.91Å; H621-S624 PolarHBondContact O-OG 3.38Å; H621-I625 PolarHBondContact O-N 3.27Å |
| 622 | L | 93.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57 | -36.6 | 175.2 | -68.9 | 174.6 | 0 | 0 | 0 | 112.6 | L582 I585 L597 L600 I613 N618 W619 I625 S626 M640 L643 | L582-L622 HydrophobicContact CD2-CD1 4.19Å; L582-L622 HydrophobicContact CD2-CD2 4.39Å; L582-L622 HydrophobicContact CD2-CG 4.44Å; I585-L622 HydrophobicContact CD1-CD2 4.09Å; I585-L622 HydrophobicContact CG2-CD2 4.28Å; L597-L622 HydrophobicContact CD2-CD2 3.74Å; L600-L622 HydrophobicContact CD2-CD1 4.23Å; L600-L622 HydrophobicContact CD2-CD2 4.16Å; I613-L622 HydrophobicContact CG2-CD1 4.14Å; N618-L622 WeakPolarHBondContact O-CG 3.43Å; N618-L622 PolarHBondContact O-N 3.34Å; W619-L622 HydrophobicContact CE3-CB 4.35Å; W619-L622 HydrophobicContact CE3-CD1 4.22Å; W619-L622 PolarHBondContact O-N 2.86Å; L622-I625 HydrophobicContact CD2-CD1 4.16Å; L622-I625 WeakPolarHBondContact O-CG1 3.24Å; L622-S626 WeakPolarHBondContact O-CB 3.46Å; L622-S626 PolarHBondContact O-N 2.9Å; L622-S626 PolarHBondContact O-OG 3.08Å; L622-M640 HydrophobicContact CB-CE 3.78Å; L622-M640 HydrophobicContact CB-SD 4.23Å; L622-L643 HydrophobicContact CD1-CD2 4.47Å |
| 623 | L | 91.1 | Very high | 88.3 | Confident | 15 Ų | 15 | 46.8 Ų | 46.8 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 172.7 | -77.8 | -180 | 0 | 0 | 0 | 112.6 | W619 N620 H621 I625 S626 F627 N628 I692 | W619-L623 HydrophobicContact CD2-CG 4.28Å; W619-L623 HydrophobicContact CH2-CD2 4.14Å; W619-L623 HydrophobicContact CH2-CG 4.49Å; W619-L623 HydrophobicContact CZ2-CD1 4.1Å; W619-L623 HydrophobicContact CZ2-CD2 3.5Å; W619-L623 HydrophobicContact CZ2-CG 3.72Å; W619-L623 PolarHBondContact O-N 2.86Å; N620-L623 PolarHBondContact O-N 2.91Å; H621-L623 PolarHBondContact O-N 2.81Å; L623-I625 PolarHBondContact O-N 3.03Å; L623-S626 CarbonylContact O-C 3.51Å; L623-S626 PolarHBondContact O-N 3.16Å; L623-S626 VanDerWaalsContact O-N 3.12Å; L623-S626 PolarHBondContact O-OG 3.36Å; L623-F627 HydrophobicContact CD2-CB 4.4Å; L623-F627 HydrophobicContact CD2-CD2 3.9Å; L623-F627 PolarHBondContact O-N 2.89Å; L623-N628 WeakPolarHBondContact O-CB 3.37Å; L623-N628 PolarHBondContact O-N 3.29Å; L623-I692 HydrophobicContact CD1-CD1 4.28Å; L623-I692 HydrophobicContact CD2-CD1 3.59Å; L623-I692 HydrophobicContact CD2-CG1 4.34Å |
| 624 | S | 90 | Very high | 87.5 | Confident | 52 Ų | 52 | 47.8 Ų | 47.8 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.8 | -27.5 | -178 | 75.7 | 0 | 0 | 0 | 0 | 113.9 | N620 H621 N629 | N620-S624 PolarHBondContact O-N 3.35Å; N620-S624 VanDerWaalsContact O-N 3.08Å; H621-S624 WeakPolarHBondContact O-CB 3.23Å; H621-S624 PolarHBondContact O-N 2.91Å; H621-S624 PolarHBondContact O-OG 3.38Å; S624-N629 WeakPolarHBondContact O-CA 3.19Å; S624-N629 VanDerWaalsContact O-CB 3.29Å; S624-N629 WeakPolarHBondContact O-CB 3.33Å; S624-N629 PolarHBondContact O-N 3.37Å; S624-N629 PolarHBondContact O-ND2 2.99Å |
| 625 | I | 88.6 | Confident | 87.1 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.051 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 2.6 | 178.6 | 69.1 | -165.1 | 0 | 0 | 0 | 113.2 | I585 P590 I593 H621 L622 L623 N636 | I585-I625 HydrophobicContact CG2-CD1 3.32Å; P590-I625 HydrophobicContact CB-CB 4.44Å; P590-I625 HydrophobicContact CG-CB 4.48Å; P590-I625 HydrophobicContact CG-CG2 4.24Å; I593-I625 HydrophobicContact CD1-CB 4.09Å; I593-I625 HydrophobicContact CD1-CD1 3.29Å; I593-I625 HydrophobicContact CD1-CG1 3.75Å; H621-I625 PolarHBondContact O-N 3.27Å; L622-I625 HydrophobicContact CD2-CD1 4.16Å; L622-I625 WeakPolarHBondContact O-CG1 3.24Å; L623-I625 PolarHBondContact O-N 3.03Å; I625-N636 PolarHBondContact O-ND2 3.09Å; I625-N636 VanDerWaalsContact O-ND2 3.12Å |
| 626 | S | 89.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.5 | -104.6 | -179.9 | 64.1 | 0 | 0 | 0 | 0 | 112 | L622 L623 N628 N629 | L622-S626 WeakPolarHBondContact O-CB 3.46Å; L622-S626 PolarHBondContact O-N 2.9Å; L622-S626 PolarHBondContact O-OG 3.08Å; L623-S626 CarbonylContact O-C 3.51Å; L623-S626 PolarHBondContact O-N 3.16Å; L623-S626 VanDerWaalsContact O-N 3.12Å; L623-S626 PolarHBondContact O-OG 3.36Å; S626-N628 PolarHBondContact O-N 3.49Å; S626-N629 VanDerWaalsContact O-CB 3.32Å; S626-N629 WeakPolarHBondContact O-CB 3.46Å; S626-N629 PolarHBondContact O-N 3.38Å |
| 627 | F | 87.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -19.4 | -171.8 | -59.4 | -45.7 | 0 | 0 | 0 | 115 | L623 C637 M640 L641 L644 I692 R695 L696 L699 L705 | L623-F627 HydrophobicContact CD2-CB 4.4Å; L623-F627 HydrophobicContact CD2-CD2 3.9Å; L623-F627 PolarHBondContact O-N 2.89Å; F627-C637 HydrophobicContact CD1-CB 4.36Å; F627-C637 HydrophobicContact CE1-CB 4.03Å; F627-M640 HydrophobicContact CE1-CB 4.47Å; F627-M640 HydrophobicContact CE2-CB 3.82Å; F627-M640 HydrophobicContact CZ-CB 3.71Å; F627-L641 HydrophobicContact CE1-CD2 4.36Å; F627-L641 HydrophobicContact CE1-CG 4.19Å; F627-L641 HydrophobicContact CZ-CD2 3.9Å; F627-L641 HydrophobicContact CZ-CG 3.89Å; F627-L644 HydrophobicContact CE2-CD1 4.02Å; F627-I692 HydrophobicContact CD2-CG1 4.21Å; F627-R695 PolarHBondContact O-NE 3.04Å; F627-R695 PolarHBondContact O-NH2 3.33Å; F627-R695 VanDerWaalsContact O-NH2 3.16Å; F627-L696 HydrophobicContact CD1-CD2 4.48Å; F627-L696 HydrophobicContact CE1-CD2 4.15Å; F627-L696 HydrophobicContact CE2-CD2 4.35Å; F627-L696 HydrophobicContact CZ-CD2 4.09Å; F627-L699 HydrophobicContact CB-CD1 3.9Å; F627-L699 HydrophobicContact CD1-CD1 3.67Å; F627-L699 HydrophobicContact CG-CD1 4.05Å; F627-L705 HydrophobicContact CE1-CD2 4.45Å |
| 628 | N | 85.8 | Confident | 86.6 | Confident | 87 Ų | 87 | 36.1 Ų | 36.1 | 47% | 0.465 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -1.5 | 174.7 | -66.4 | -10.4 | 0 | 0 | 0 | 112.8 | L623 S626 | L623-N628 WeakPolarHBondContact O-CB 3.37Å; L623-N628 PolarHBondContact O-N 3.29Å; S626-N628 PolarHBondContact O-N 3.49Å |
| 629 | N | 81.5 | Confident | 86.5 | Confident | 25 Ų | 25 | 34.8 Ų | 34.8 | 13% | 0.134 | 20% | 0.201 | C | C | . | . | trans | -75.2 | 132.2 | 174.3 | -166.4 | -70 | 0 | 0 | 0 | 109.4 | S624 S626 D631 L632 | S624-N629 WeakPolarHBondContact O-CA 3.19Å; S624-N629 VanDerWaalsContact O-CB 3.29Å; S624-N629 WeakPolarHBondContact O-CB 3.33Å; S624-N629 PolarHBondContact O-N 3.37Å; S624-N629 PolarHBondContact O-ND2 2.99Å; S626-N629 VanDerWaalsContact O-CB 3.32Å; S626-N629 WeakPolarHBondContact O-CB 3.46Å; S626-N629 PolarHBondContact O-N 3.38Å; N629-D631 VanDerWaalsContact C-N 3.26Å; N629-D631 PolarHBondContact O-N 2.91Å; N629-D631 PolarHBondContact OD1-N 2.92Å; N629-L632 WeakPolarHBondContact O-CG 3.48Å; N629-L632 PolarHBondContact O-N 3.21Å | ||
| 630 | P | 73.6 | Confident | 86.5 | Confident | 121 Ų | 121 | 33.9 Ų | 33.9 | 79% | 0.786 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -36.8 | 178.2 | -24.6 | 34.1 | 0 | 0 | 0 | 114 | L632 | P630-L632 VanDerWaalsContact C-N 3.33Š|
| 631 | D | 74.8 | Confident | 86.6 | Confident | 144 Ų | 144 | 29.5 Ų | 29.5 | 77% | 0.77 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -11.5 | -175.1 | -59.7 | -36.8 | 0 | 0 | 0 | 112.6 | N629 S633 | N629-D631 VanDerWaalsContact C-N 3.26Å; N629-D631 PolarHBondContact O-N 2.91Å; N629-D631 PolarHBondContact OD1-N 2.92Å; D631-S633 PolarHBondContact O-N 3.12Å |
| 632 | L | 70.5 | Confident | 86.7 | Confident | 25 Ų | 25 | 27 Ų | 27 | 13% | 0.131 | 16% | 0.162 | C | C | . | . | trans | 43 | 61.4 | 177.1 | -73.4 | 164.8 | 0 | 0 | 0 | 112.7 | N629 P630 S634 L699 K704 | N629-L632 WeakPolarHBondContact O-CG 3.48Å; N629-L632 PolarHBondContact O-N 3.21Å; P630-L632 VanDerWaalsContact C-N 3.33Å; L632-S634 PolarHBondContact O-N 3.39Å; L632-L699 HydrophobicContact CD1-CD2 4.16Å; L632-L699 HydrophobicContact CD2-CD2 4.09Å; L632-K704 HydrophobicContact CD1-CB 3.55Å; L632-K704 HydrophobicContact CD1-CD 3.82Å; L632-K704 HydrophobicContact CD1-CG 3.66Å | ||
| 633 | S | 77.7 | Confident | 86.8 | Confident | 24 Ų | 24 | 27.1 Ų | 27.1 | 17% | 0.168 | 16% | 0.163 | C | C | . | . | trans | -46.7 | 113 | 175 | 167.5 | 0 | 0 | 0 | 0 | 109.6 | D631 A635 N636 C637 | D631-S633 PolarHBondContact O-N 3.12Å; S633-A635 PolarHBondContact O-N 2.58Å; S633-N636 PolarHBondContact O-N 3.42Å; S633-N636 VanDerWaalsContact O-N 3.08Å; S633-C637 PolarHBondContact O-N 3.01Å; S633-C637 PolarHBondContact O-SG 3.47Å; S633-C637 VanDerWaalsContact O-SG 3.35Å | ||
| 634 | S | 80.6 | Confident | 87.1 | Confident | 22 Ų | 22 | 26.4 Ų | 26.4 | 15% | 0.154 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.2 | -27.8 | -167.1 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | L632 L638 R710 Q713 | L632-S634 PolarHBondContact O-N 3.39Å; S634-L638 WeakPolarHBondContact O-CB 3.44Å; S634-L638 PolarHBondContact O-N 3.33Å; S634-R710 WeakPolarHBondContact OG-CD 3.39Å; S634-R710 PolarHBondContact OG-NE 2.8Å; S634-R710 PolarHBondContact OG-NH1 2.9Å; S634-Q713 PolarHBondContact O-NE2 3.28Å; S634-Q713 PolarHBondContact OG-NE2 3.15Å |
| 635 | A | 86.8 | Confident | 87.4 | Confident | 27 Ų | 27 | 24 Ų | 24 | 22% | 0.223 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.6 | -47.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | F594 S633 C637 L638 L639 | F594-A635 HydrophobicContact CB-CB 3.97Å; F594-A635 HydrophobicContact CD1-CB 4.34Å; F594-A635 HydrophobicContact CG-CB 4.2Å; S633-A635 PolarHBondContact O-N 2.58Å; A635-C637 PolarHBondContact O-N 2.99Å; A635-L638 PolarHBondContact O-N 3.31Å; A635-L639 VanDerWaalsContact O-CG 3.32Å; A635-L639 WeakPolarHBondContact O-CG 3.46Å; A635-L639 PolarHBondContact O-N 3.4Å |
| 636 | N | 90.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.4 | -46.2 | 177.9 | -62.6 | -4.9 | 0 | 0 | 0 | 110.9 | P590 L597 I625 S633 L638 L639 M640 | P590-N636 PolarHBondContact O-ND2 3.13Å; L597-N636 HydrophobicContact CD1-CB 3.97Å; I625-N636 PolarHBondContact O-ND2 3.09Å; I625-N636 VanDerWaalsContact O-ND2 3.12Å; S633-N636 PolarHBondContact O-N 3.42Å; S633-N636 VanDerWaalsContact O-N 3.08Å; N636-L638 VanDerWaalsContact C-N 3.34Å; N636-L638 PolarHBondContact O-N 3.01Å; N636-L639 PolarHBondContact O-N 3.5Å; N636-M640 WeakPolarHBondContact O-CB 3.46Å; N636-M640 WeakPolarHBondContact O-CG 3.44Å; N636-M640 PolarHBondContact O-N 3.21Å |
| 637 | C | 89.9 | Confident | 88.2 | Confident | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.02 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.9 | -43.2 | 178.1 | -65.7 | 0 | 0 | 0 | 0 | 112 | F627 S633 A635 M640 L641 L705 | F627-C637 HydrophobicContact CD1-CB 4.36Å; F627-C637 HydrophobicContact CE1-CB 4.03Å; S633-C637 PolarHBondContact O-N 3.01Å; S633-C637 PolarHBondContact O-SG 3.47Å; S633-C637 VanDerWaalsContact O-SG 3.35Å; A635-C637 PolarHBondContact O-N 2.99Å; C637-M640 PolarHBondContact O-N 3.25Å; C637-L641 WeakPolarHBondContact O-CG 3.47Å; C637-L641 PolarHBondContact O-N 2.72Å; C637-L705 HydrophobicContact CB-CD2 3.96Å |
| 638 | L | 91 | Very high | 88.6 | Confident | 6 Ų | 6 | 23.5 Ų | 23.5 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.4 | -47.9 | 175.4 | 173.6 | 60.9 | 0 | 0 | 0 | 111.6 | P500 S634 A635 N636 M640 L641 R642 P712 Q713 A716 | P500-L638 HydrophobicContact CB-CD2 4.2Å; P500-L638 HydrophobicContact CG-CD2 3.95Å; S634-L638 WeakPolarHBondContact O-CB 3.44Å; S634-L638 PolarHBondContact O-N 3.33Å; A635-L638 PolarHBondContact O-N 3.31Å; N636-L638 VanDerWaalsContact C-N 3.34Å; N636-L638 PolarHBondContact O-N 3.01Å; L638-M640 VanDerWaalsContact C-N 3.33Å; L638-M640 PolarHBondContact O-N 2.89Å; L638-L641 WeakPolarHBondContact O-CB 3.2Å; L638-L641 PolarHBondContact O-N 3.14Å; L638-R642 WeakPolarHBondContact O-CG 3.23Å; L638-R642 PolarHBondContact O-N 3.06Å; L638-P712 HydrophobicContact CD1-CB 3.92Å; L638-P712 WeakPolarHBondContact CD1-O 3.45Å; L638-P712 HydrophobicContact CD2-CB 3.77Å; L638-Q713 HydrophobicContact CB-CG 4.29Å; L638-Q713 HydrophobicContact CD1-CG 4.29Å; L638-A716 HydrophobicContact CD1-CB 3.91Å |
| 639 | L | 93.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.9 | -35 | -178.3 | -70 | 174.7 | 0 | 0 | 0 | 112.4 | Y498 P500 F594 L597 D598 A635 N636 R642 L643 | Y498-L639 HydrophobicContact CE1-CD1 4.47Å; P500-L639 HydrophobicContact CB-CD2 3.65Å; P500-L639 HydrophobicContact CG-CD1 4.27Å; P500-L639 HydrophobicContact CG-CD2 3.46Å; P500-L639 VanDerWaalsContact CG-CD2 3.46Å; P500-L639 HydrophobicContact CG-CG 3.85Å; F594-L639 HydrophobicContact CB-CD1 3.78Å; F594-L639 WeakPolarHBondContact O-CD1 3.44Å; L597-L639 HydrophobicContact CB-CB 3.97Å; L597-L639 HydrophobicContact CB-CD1 3.7Å; L597-L639 HydrophobicContact CB-CG 4.47Å; D598-L639 HydrophobicContact CB-CD1 4.16Å; D598-L639 HydrophobicContact CB-CD2 3.79Å; D598-L639 WeakPolarHBondContact OD1-CD2 3.44Å; A635-L639 VanDerWaalsContact O-CG 3.32Å; A635-L639 WeakPolarHBondContact O-CG 3.46Å; A635-L639 PolarHBondContact O-N 3.4Å; N636-L639 PolarHBondContact O-N 3.5Å; L639-R642 PolarHBondContact O-N 3.37Å; L639-L643 WeakPolarHBondContact O-CB 3.49Å; L639-L643 PolarHBondContact O-N 3.02Å |
| 640 | M | 94.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.7 | -40.1 | 172.6 | -71 | -60.2 | -64.3 | 0 | 0 | 112.1 | L597 W619 L622 F627 N636 C637 L638 R642 L643 L644 | L597-M640 HydrophobicContact CD2-SD 4.2Å; W619-M640 HydrophobicContact CE3-CE 4.16Å; W619-M640 HydrophobicContact CH2-CE 3.51Å; W619-M640 HydrophobicContact CZ3-CE 3.24Å; L622-M640 HydrophobicContact CB-CE 3.78Å; L622-M640 HydrophobicContact CB-SD 4.23Å; F627-M640 HydrophobicContact CE1-CB 4.47Å; F627-M640 HydrophobicContact CE2-CB 3.82Å; F627-M640 HydrophobicContact CZ-CB 3.71Å; N636-M640 WeakPolarHBondContact O-CB 3.46Å; N636-M640 WeakPolarHBondContact O-CG 3.44Å; N636-M640 PolarHBondContact O-N 3.21Å; C637-M640 PolarHBondContact O-N 3.25Å; L638-M640 VanDerWaalsContact C-N 3.33Å; L638-M640 PolarHBondContact O-N 2.89Å; M640-R642 VanDerWaalsContact C-N 3.31Å; M640-R642 PolarHBondContact O-N 3.33Å; M640-L643 HydrophobicContact CE-CD2 4.12Å; M640-L643 PolarHBondContact O-N 2.88Å; M640-L643 HydrophobicContact SD-CD2 3.95Å; M640-L644 WeakPolarHBondContact O-CG 3.36Å; M640-L644 PolarHBondContact O-N 3.34Å |
| 641 | L | 94 | Very high | 90.7 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.8 | -44.9 | 170.5 | -73.2 | 172.4 | 0 | 0 | 0 | 110.8 | F627 C637 L638 L644 V645 L696 A716 L717 L720 | F627-L641 HydrophobicContact CE1-CD2 4.36Å; F627-L641 HydrophobicContact CE1-CG 4.19Å; F627-L641 HydrophobicContact CZ-CD2 3.9Å; F627-L641 HydrophobicContact CZ-CG 3.89Å; C637-L641 WeakPolarHBondContact O-CG 3.47Å; C637-L641 PolarHBondContact O-N 2.72Å; L638-L641 WeakPolarHBondContact O-CB 3.2Å; L638-L641 PolarHBondContact O-N 3.14Å; L641-L644 PolarHBondContact O-N 3.29Å; L641-V645 WeakPolarHBondContact O-CG2 3.47Å; L641-V645 PolarHBondContact O-N 3.35Å; L641-L696 HydrophobicContact CD2-CD1 4.32Å; L641-L696 HydrophobicContact CD2-CD2 3.9Å; L641-A716 HydrophobicContact CB-CB 3.8Å; L641-A716 HydrophobicContact CD1-CB 4.34Å; L641-L717 HydrophobicContact CD1-CB 4.35Å; L641-L717 HydrophobicContact CD2-CD1 3.87Å; L641-L720 HydrophobicContact CD2-CD2 3.97Å |
| 642 | R | 94.7 | Very high | 91.6 | Very high | 4 Ų | 4 | 6.9 Ų | 6.9 | 2% | 0.015 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -65 | -38.6 | 177.5 | -66.9 | -178.4 | -179 | -158.4 | -2.5 | 113.1 | P500 N501 M530 L638 L639 M640 L644 V645 N646 A716 | P500-R642 PolarHBondContact O-NH1 3.16Å; P500-R642 PolarHBondContact O-NH2 3.45Å; N501-R642 VanDerWaalsContact O-CZ 3.23Å; N501-R642 PolarHBondContact O-NH1 2.95Å; N501-R642 PolarHBondContact O-NH2 3.45Å; M530-R642 HydrophobicContact CE-CG 3.81Å; M530-R642 HydrophobicContact SD-CB 4.48Å; M530-R642 HydrophobicContact SD-CG 3.86Å; L638-R642 WeakPolarHBondContact O-CG 3.23Å; L638-R642 PolarHBondContact O-N 3.06Å; L639-R642 PolarHBondContact O-N 3.37Å; M640-R642 VanDerWaalsContact C-N 3.31Å; M640-R642 PolarHBondContact O-N 3.33Å; R642-L644 VanDerWaalsContact C-N 3.32Å; R642-L644 PolarHBondContact O-N 2.77Å; R642-V645 PolarHBondContact O-N 2.9Å; R642-N646 WeakPolarHBondContact O-CB 3.03Å; R642-N646 PolarHBondContact O-N 3.02Å; R642-A716 HydrophobicContact CG-CB 4.16Å |
| 643 | L | 96.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 8.4 Ų | 8.4 | 2% | 0.016 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -58.6 | -45.1 | 173.3 | 171.7 | 63.6 | 0 | 0 | 0 | 110.6 | R601 V604 I613 F614 W619 L622 L639 M640 N646 S647 | R601-L643 HydrophobicContact CB-CB 3.87Å; R601-L643 HydrophobicContact CB-CD1 4.38Å; V604-L643 HydrophobicContact CB-CD1 4.03Å; V604-L643 HydrophobicContact CG1-CD1 4.44Å; V604-L643 HydrophobicContact CG2-CD1 4.32Å; I613-L643 HydrophobicContact CG2-CD1 4.3Å; I613-L643 HydrophobicContact CG2-CD2 4.1Å; F614-L643 HydrophobicContact CZ-CG 4.37Å; W619-L643 HydrophobicContact CZ3-CD2 4.38Å; L622-L643 HydrophobicContact CD1-CD2 4.47Å; L639-L643 WeakPolarHBondContact O-CB 3.49Å; L639-L643 PolarHBondContact O-N 3.02Å; M640-L643 HydrophobicContact CE-CD2 4.12Å; M640-L643 PolarHBondContact O-N 2.88Å; M640-L643 HydrophobicContact SD-CD2 3.95Å; L643-N646 PolarHBondContact O-N 2.73Å; L643-S647 WeakPolarHBondContact O-CB 3.49Å; L643-S647 PolarHBondContact O-N 3.12Å |
| 644 | L | 97 | Very high | 93.3 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66.7 | -38.7 | 177.1 | -67 | 171.9 | 0 | 0 | 0 | 113 | F614 W619 F627 M640 L641 R642 S647 L648 T688 A689 I692 L720 | F614-L644 HydrophobicContact CE1-CD2 4.27Å; W619-L644 HydrophobicContact CH2-CD2 3.78Å; W619-L644 HydrophobicContact CH2-CG 4.38Å; W619-L644 HydrophobicContact CZ2-CD2 4.45Å; W619-L644 HydrophobicContact CZ3-CD2 4.4Å; F627-L644 HydrophobicContact CE2-CD1 4.02Å; M640-L644 WeakPolarHBondContact O-CG 3.36Å; M640-L644 PolarHBondContact O-N 3.34Å; L641-L644 PolarHBondContact O-N 3.29Å; R642-L644 VanDerWaalsContact C-N 3.32Å; R642-L644 PolarHBondContact O-N 2.77Å; L644-S647 PolarHBondContact O-N 2.73Å; L644-S647 PolarHBondContact O-OG 2.86Å; L644-L648 PolarHBondContact O-N 2.91Å; L644-T688 HydrophobicContact CD2-CG2 4.47Å; L644-A689 HydrophobicContact CD2-CB 4.12Å; L644-I692 HydrophobicContact CD1-CG2 3.72Å; L644-I692 HydrophobicContact CD2-CG2 4.48Å; L644-L720 HydrophobicContact CB-CD1 3.87Å; L644-L720 HydrophobicContact CB-CD2 4.09Å; L644-L720 HydrophobicContact CD1-CD2 4.06Å |
| 645 | V | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.3 | -49.9 | 173 | 172 | 0 | 0 | 0 | 0 | 110.3 | I528 M530 L641 R642 S647 L648 A649 A716 N719 L720 N723 | I528-V645 WeakPolarHBondContact O-CG1 3.45Å; M530-V645 HydrophobicContact CG-CG1 3.94Å; M530-V645 HydrophobicContact SD-CB 4.34Å; M530-V645 HydrophobicContact SD-CG1 4.09Å; M530-V645 HydrophobicContact SD-CG2 4.33Å; L641-V645 WeakPolarHBondContact O-CG2 3.47Å; L641-V645 PolarHBondContact O-N 3.35Å; R642-V645 PolarHBondContact O-N 2.9Å; V645-S647 VanDerWaalsContact C-N 3.33Å; V645-S647 PolarHBondContact O-N 3.35Å; V645-L648 PolarHBondContact O-N 2.78Å; V645-A649 PolarHBondContact O-N 2.81Å; V645-A649 VanDerWaalsContact O-N 3.09Å; V645-A716 VanDerWaalsContact CG2-O 3.22Å; V645-A716 WeakPolarHBondContact CG2-O 3.34Å; V645-N719 HydrophobicContact CG1-CB 3.98Å; V645-N719 HydrophobicContact CG2-CB 3.91Å; V645-L720 HydrophobicContact CG2-CB 3.8Å; V645-N723 PolarHBondContact O-ND2 3.2Å |
| 646 | N | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -66.7 | -33.9 | -179.6 | -75.2 | -10.7 | 0 | 0 | 0 | 112.7 | M530 R601 V604 F605 R642 L643 A649 A650 | M530-N646 WeakPolarHBondContact CA-OD1 3.31Å; M530-N646 PolarHBondContact N-OD1 2.89Å; M530-N646 PolarHBondContact O-ND2 3.11Å; M530-N646 PolarHBondContact O-OD1 2.68Å; R601-N646 WeakPolarHBondContact O-CB 3.44Å; R601-N646 PolarHBondContact O-ND2 3.47Å; V604-N646 HydrophobicContact CG1-CB 3.53Å; F605-N646 HydrophobicContact CE2-CB 3.75Å; F605-N646 HydrophobicContact CZ-CB 4.07Å; R642-N646 WeakPolarHBondContact O-CB 3.03Å; R642-N646 PolarHBondContact O-N 3.02Å; L643-N646 PolarHBondContact O-N 2.73Å; N646-A649 PolarHBondContact O-N 3Å; N646-A650 VanDerWaalsContact O-CB 3.24Å; N646-A650 WeakPolarHBondContact O-CB 3.11Å; N646-A650 PolarHBondContact O-N 3.43Å |
| 647 | S | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.2 | -42.4 | 178.6 | 81.6 | 0 | 0 | 0 | 0 | 111.7 | L643 L644 V645 A650 D651 | L643-S647 WeakPolarHBondContact O-CB 3.49Å; L643-S647 PolarHBondContact O-N 3.12Å; L644-S647 PolarHBondContact O-N 2.73Å; L644-S647 PolarHBondContact O-OG 2.86Å; V645-S647 VanDerWaalsContact C-N 3.33Å; V645-S647 PolarHBondContact O-N 3.35Å; S647-A650 PolarHBondContact O-N 2.55Å; S647-D651 PolarHBondContact O-N 3.41Å |
| 648 | L | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.7 | -41.3 | 171.5 | -75.2 | 158.7 | 0 | 0 | 0 | 112.1 | F527 L644 V645 A650 G652 L686 A689 L720 N723 I724 L727 | F527-L648 HydrophobicContact CD1-CB 4.34Å; F527-L648 HydrophobicContact CE1-CB 4.43Å; L644-L648 PolarHBondContact O-N 2.91Å; V645-L648 PolarHBondContact O-N 2.78Å; L648-A650 VanDerWaalsContact C-N 3.33Å; L648-A650 PolarHBondContact O-N 3.49Å; L648-G652 VanDerWaalsContact O-CA 3.22Å; L648-G652 WeakPolarHBondContact O-CA 3.41Å; L648-G652 PolarHBondContact O-N 3.21Å; L648-L686 HydrophobicContact CD2-CD2 3.87Å; L648-A689 HydrophobicContact CD1-CB 4.06Å; L648-A689 HydrophobicContact CD2-CB 4.25Å; L648-A689 HydrophobicContact CG-CB 3.92Å; L648-L720 HydrophobicContact CD1-CD1 3.4Å; L648-N723 HydrophobicContact CB-CB 3.85Å; L648-N723 HydrophobicContact CD1-CB 3.78Å; L648-N723 HydrophobicContact CG-CB 4.41Å; L648-I724 HydrophobicContact CD1-CD1 4.45Å; L648-I724 HydrophobicContact CD1-CG1 3.58Å; L648-I724 HydrophobicContact CD2-CG1 4.48Å; L648-L727 HydrophobicContact CD2-CB 4.48Å; L648-L727 HydrophobicContact CD2-CD2 3.73Å |
| 649 | A | 95.9 | Very high | 93.9 | Very high | 14 Ų | 14 | 16.3 Ų | 16.3 | 12% | 0.116 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -70.2 | -28.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F527 I528 F605 V645 N646 P653 | F527-A649 HydrophobicContact CB-CB 4.09Å; I528-A649 WeakPolarHBondContact O-CB 3.42Å; F605-A649 HydrophobicContact CE1-CB 4.42Å; F605-A649 HydrophobicContact CZ-CB 4.29Å; V645-A649 PolarHBondContact O-N 2.81Å; V645-A649 VanDerWaalsContact O-N 3.09Å; N646-A649 PolarHBondContact O-N 3Å; A649-P653 WeakPolarHBondContact O-CD 3.45Å; A649-P653 WeakPolarHBondContact O-CG 3.38Å |
| 650 | A | 94.6 | Very high | 93.6 | Very high | 5 Ų | 5 | 20.7 Ų | 20.7 | 4% | 0.041 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -80.6 | -53.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F605 N646 S647 L648 R654 | F605-A650 HydrophobicContact CD1-CB 3.55Å; F605-A650 HydrophobicContact CE1-CB 3.72Å; F605-A650 HydrophobicContact CG-CB 4.13Å; F605-A650 HydrophobicContact CZ-CB 4.43Å; N646-A650 VanDerWaalsContact O-CB 3.24Å; N646-A650 WeakPolarHBondContact O-CB 3.11Å; N646-A650 PolarHBondContact O-N 3.43Å; S647-A650 PolarHBondContact O-N 2.55Å; L648-A650 VanDerWaalsContact C-N 3.33Å; L648-A650 PolarHBondContact O-N 3.49Å; A650-R654 WeakPolarHBondContact O-CD 3.26Å; A650-R654 WeakPolarHBondContact O-CG 3.29Å; A650-R654 PolarHBondContact O-NE 3.49Å |
| 651 | D | 94.7 | Very high | 93.1 | Very high | 9 Ų | 9 | 28 Ų | 28 | 5% | 0.048 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -97.1 | -21.6 | -169 | -68.3 | -30.5 | 0 | 0 | 0 | 113.3 | S610 S647 R654 F655 P683 S685 L686 | S610-D651 PolarHBondContact OG-OD2 3.41Å; S647-D651 PolarHBondContact O-N 3.41Å; D651-R654 PolarHBondContact O-N 3.31Å; D651-R654 IonicContact OD1-CZ 2.63Å; D651-R654 IonicContact OD1-NH1 3.01Å; D651-R654 PolarHBondContact OD1-NH1 3.3Å; D651-F655 WeakPolarHBondContact O-CB 3.33Å; D651-F655 PolarHBondContact O-N 3.44Å; D651-P683 HydrophobicContact CB-CB 4.11Å; D651-P683 HydrophobicContact CB-CG 4.16Å; D651-S685 WeakPolarHBondContact CB-OG 3.32Å; D651-S685 VanDerWaalsContact OD2-CB 3.32Å; D651-S685 WeakPolarHBondContact OD2-CB 3.22Å; D651-S685 PolarHBondContact OD2-OG 2.85Å; D651-L686 HydrophobicContact CB-CD2 4.05Å; D651-L686 HydrophobicContact CB-CG 4.19Å |
| 652 | G | 93.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.8 | -57.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L648 R654 F655 I656 | L648-G652 VanDerWaalsContact O-CA 3.22Å; L648-G652 WeakPolarHBondContact O-CA 3.41Å; L648-G652 PolarHBondContact O-N 3.21Å; G652-R654 VanDerWaalsContact C-N 3.33Å; G652-R654 PolarHBondContact O-N 2.88Å; G652-F655 PolarHBondContact O-N 3.04Å; G652-I656 WeakPolarHBondContact O-CG1 3.47Å; G652-I656 PolarHBondContact O-N 2.62Å |
| 653 | P | 93.2 | Very high | 91.5 | Very high | 58 Ų | 58 | 33.2 Ų | 33.2 | 38% | 0.377 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -56.5 | -43.3 | 176.8 | -26.2 | 34.2 | 0 | 0 | 0 | 113.3 | F527 A649 D657 | F527-P653 HydrophobicContact CD2-CG 3.61Å; F527-P653 HydrophobicContact CE2-CG 4Å; F527-P653 HydrophobicContact CG-CG 4.32Å; A649-P653 WeakPolarHBondContact O-CD 3.45Å; A649-P653 WeakPolarHBondContact O-CG 3.38Å; P653-D657 VanDerWaalsContact O-CB 3.24Å; P653-D657 WeakPolarHBondContact O-CB 3.44Å; P653-D657 PolarHBondContact O-N 3.36Å |
| 654 | R | 91.2 | Very high | 90.3 | Very high | 90 Ų | 90 | 37.3 Ų | 37.3 | 34% | 0.34 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.6 | -44.2 | 179.6 | -63.7 | 176.2 | -169.7 | 157.6 | -3.8 | 112.1 | F605 A650 D651 G652 D657 T658 | F605-R654 PolarHBondContact O-NH2 3.02Å; A650-R654 WeakPolarHBondContact O-CD 3.26Å; A650-R654 WeakPolarHBondContact O-CG 3.29Å; A650-R654 PolarHBondContact O-NE 3.49Å; D651-R654 PolarHBondContact O-N 3.31Å; D651-R654 IonicContact OD1-CZ 2.63Å; D651-R654 IonicContact OD1-NH1 3.01Å; D651-R654 PolarHBondContact OD1-NH1 3.3Å; G652-R654 VanDerWaalsContact C-N 3.33Å; G652-R654 PolarHBondContact O-N 2.88Å; R654-D657 PolarHBondContact O-N 3.48Å; R654-T658 WeakPolarHBondContact O-CB 3.41Å; R654-T658 PolarHBondContact O-N 2.99Å; R654-T658 PolarHBondContact O-OG1 2.9Å |
| 655 | F | 92.5 | Very high | 88.6 | Confident | 11 Ų | 11 | 40.3 Ų | 40.3 | 5% | 0.048 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.4 | -49 | 179.6 | 175.4 | -116.5 | 0 | 0 | 0 | 110.9 | D651 G652 D657 T658 I659 P682 P683 L686 I736 I740 | D651-F655 WeakPolarHBondContact O-CB 3.33Å; D651-F655 PolarHBondContact O-N 3.44Å; G652-F655 PolarHBondContact O-N 3.04Å; F655-D657 PolarHBondContact O-N 2.74Å; F655-T658 PolarHBondContact O-N 3.33Å; F655-I659 HydrophobicContact CD2-CG1 4.35Å; F655-I659 HydrophobicContact CE2-CD1 4.22Å; F655-I659 HydrophobicContact CE2-CG1 3.99Å; F655-I659 HydrophobicContact CZ-CG1 4.22Å; F655-I659 WeakPolarHBondContact O-CG1 3.43Å; F655-I659 PolarHBondContact O-N 2.97Å; F655-I659 VanDerWaalsContact O-N 3.09Å; F655-P682 HydrophobicContact CE2-CB 4.16Å; F655-P682 HydrophobicContact CE2-CG 4.23Å; F655-P682 HydrophobicContact CZ-CB 4.09Å; F655-P682 HydrophobicContact CZ-CG 3.94Å; F655-P683 HydrophobicContact CB-CG 4.34Å; F655-L686 HydrophobicContact CB-CD1 3.75Å; F655-L686 HydrophobicContact CD1-CD1 3.69Å; F655-L686 HydrophobicContact CG-CD1 3.84Å; F655-I736 HydrophobicContact CE1-CD1 3.89Å; F655-I736 HydrophobicContact CE1-CG2 3.9Å; F655-I736 HydrophobicContact CZ-CD1 4.3Å; F655-I736 HydrophobicContact CZ-CG2 4.02Å; F655-I740 HydrophobicContact CE2-CG2 4.27Å; F655-I740 HydrophobicContact CZ-CG2 3.81Å |
| 656 | I | 91.7 | Very high | 86.7 | Confident | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 176.9 | -65.7 | -61.5 | 0 | 0 | 0 | 111.3 | G652 I659 K660 L727 L730 L734 I736 | G652-I656 WeakPolarHBondContact O-CG1 3.47Å; G652-I656 PolarHBondContact O-N 2.62Å; I656-I659 PolarHBondContact O-N 3.22Å; I656-K660 HydrophobicContact CG2-CD 4.04Å; I656-K660 HydrophobicContact CG2-CG 4.49Å; I656-K660 WeakPolarHBondContact O-CB 3.34Å; I656-K660 WeakPolarHBondContact O-CG 3.21Å; I656-K660 PolarHBondContact O-N 2.67Å; I656-L727 HydrophobicContact CD1-CD1 4.27Å; I656-L727 HydrophobicContact CG1-CD1 4.38Å; I656-L730 HydrophobicContact CD1-CB 3.94Å; I656-L730 HydrophobicContact CG1-CB 4.03Å; I656-L730 HydrophobicContact CG1-CD1 4.46Å; I656-L730 HydrophobicContact CG2-CB 4.28Å; I656-L734 HydrophobicContact CD1-CD1 4.37Å; I656-L734 HydrophobicContact CG2-CD1 4.09Å; I656-I736 HydrophobicContact CD1-CD1 3.75Å |
| 657 | D | 89.7 | Confident | 84.5 | Confident | 70 Ų | 70 | 49.8 Ų | 49.8 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66 | -38.3 | 179.5 | 179.4 | 65 | 0 | 0 | 0 | 112.9 | P653 R654 F655 K660 R661 | P653-D657 VanDerWaalsContact O-CB 3.24Å; P653-D657 WeakPolarHBondContact O-CB 3.44Å; P653-D657 PolarHBondContact O-N 3.36Å; R654-D657 PolarHBondContact O-N 3.48Å; F655-D657 PolarHBondContact O-N 2.74Å; D657-K660 PolarHBondContact O-N 3.22Å; D657-R661 WeakPolarHBondContact O-CG 3.5Å; D657-R661 PolarHBondContact O-N 3.31Å; D657-R661 IonicContact OD1-NE 2.67Å; D657-R661 IonicContact OD2-CZ 2.87Å; D657-R661 IonicContact OD2-NE 3.61Å; D657-R661 PolarHBondContact OD2-NE 3.2Å; D657-R661 IonicContact OD2-NH2 2.84Å; D657-R661 PolarHBondContact OD2-NH2 2.72Å |
| 658 | T | 88.4 | Confident | 82.1 | Confident | 58 Ų | 58 | 54 Ų | 54 | 36% | 0.356 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 175.6 | -58 | 0 | 0 | 0 | 0 | 111.1 | R654 F655 R661 Q662 | R654-T658 WeakPolarHBondContact O-CB 3.41Å; R654-T658 PolarHBondContact O-N 2.99Å; R654-T658 PolarHBondContact O-OG1 2.9Å; F655-T658 PolarHBondContact O-N 3.33Å; T658-R661 PolarHBondContact O-N 2.92Å; T658-Q662 WeakPolarHBondContact O-CG 3.16Å; T658-Q662 PolarHBondContact O-N 2.9Å; T658-Q662 VanDerWaalsContact O-N 3.12Å |
| 659 | I | 88.2 | Confident | 79.4 | Confident | 12 Ų | 12 | 58.2 Ų | 58.2 | 6% | 0.062 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 177.8 | -61.6 | -55.1 | 0 | 0 | 0 | 111.4 | F655 I656 R661 Q662 S663 N680 L734 I736 I740 | F655-I659 HydrophobicContact CD2-CG1 4.35Å; F655-I659 HydrophobicContact CE2-CD1 4.22Å; F655-I659 HydrophobicContact CE2-CG1 3.99Å; F655-I659 HydrophobicContact CZ-CG1 4.22Å; F655-I659 WeakPolarHBondContact O-CG1 3.43Å; F655-I659 PolarHBondContact O-N 2.97Å; F655-I659 VanDerWaalsContact O-N 3.09Å; I656-I659 PolarHBondContact O-N 3.22Å; I659-R661 PolarHBondContact O-N 2.87Å; I659-Q662 PolarHBondContact O-N 3.26Å; I659-S663 PolarHBondContact O-N 3.12Å; I659-N680 HydrophobicContact CD1-CB 3.96Å; I659-L734 HydrophobicContact CB-CD1 4.47Å; I659-L734 HydrophobicContact CG2-CB 4.23Å; I659-L734 HydrophobicContact CG2-CD1 4.2Å; I659-I736 HydrophobicContact CB-CD1 4.3Å; I659-I736 HydrophobicContact CG1-CD1 4.17Å; I659-I736 HydrophobicContact CG2-CD1 4.15Å; I659-I736 HydrophobicContact CG2-CG1 4.13Å; I659-I740 HydrophobicContact CD1-CD1 3.76Å; I659-I740 HydrophobicContact CG1-CD1 4.39Å; I659-I740 HydrophobicContact CG2-CD1 4.46Å |
| 660 | K | 87.1 | Confident | 76.4 | Confident | 93 Ų | 93 | 63.4 Ų | 63.4 | 40% | 0.404 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57 | -49.8 | 174.3 | -79.7 | 176.6 | 178.8 | -179.3 | 0 | 111.3 | I656 D657 Q662 S663 V664 L734 | I656-K660 HydrophobicContact CG2-CD 4.04Å; I656-K660 HydrophobicContact CG2-CG 4.49Å; I656-K660 WeakPolarHBondContact O-CB 3.34Å; I656-K660 WeakPolarHBondContact O-CG 3.21Å; I656-K660 PolarHBondContact O-N 2.67Å; D657-K660 PolarHBondContact O-N 3.22Å; K660-Q662 VanDerWaalsContact C-N 3.34Å; K660-Q662 PolarHBondContact O-N 3.29Å; K660-S663 PolarHBondContact O-N 2.75Å; K660-S663 PolarHBondContact O-OG 3.21Å; K660-V664 WeakPolarHBondContact O-CG2 3.46Å; K660-V664 PolarHBondContact O-N 2.85Å; K660-L734 HydrophobicContact CG-CD1 3.81Å; K660-L734 HydrophobicContact CG-CD2 3.81Å; K660-L734 HydrophobicContact CG-CG 4.42Å |
| 661 | R | 85.1 | Confident | 73.4 | Confident | 155 Ų | 155 | 67.8 Ų | 67.8 | 59% | 0.585 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -60.5 | -41.6 | 179.8 | -76.1 | -173.1 | -80.8 | 172.5 | -5.6 | 112.7 | D657 T658 I659 V664 S665 | D657-R661 WeakPolarHBondContact O-CG 3.5Å; D657-R661 PolarHBondContact O-N 3.31Å; D657-R661 IonicContact OD1-NE 2.67Å; D657-R661 IonicContact OD2-CZ 2.87Å; D657-R661 IonicContact OD2-NE 3.61Å; D657-R661 PolarHBondContact OD2-NE 3.2Å; D657-R661 IonicContact OD2-NH2 2.84Å; D657-R661 PolarHBondContact OD2-NH2 2.72Å; T658-R661 PolarHBondContact O-N 2.92Å; I659-R661 PolarHBondContact O-N 2.87Å; R661-V664 PolarHBondContact O-N 3.37Å; R661-S665 PolarHBondContact O-N 3.21Å; R661-S665 VanDerWaalsContact O-N 3.12Å; R661-S665 PolarHBondContact O-OG 2.96Å |
| 662 | Q | 80.1 | Confident | 70.5 | Confident | 58 Ų | 58 | 74.5 Ų | 74.5 | 27% | 0.271 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.9 | -39.4 | 177.8 | -71.9 | 174.8 | -15.8 | 0 | 0 | 113.2 | T658 I659 K660 V664 S665 S666 N680 | T658-Q662 WeakPolarHBondContact O-CG 3.16Å; T658-Q662 PolarHBondContact O-N 2.9Å; T658-Q662 VanDerWaalsContact O-N 3.12Å; I659-Q662 PolarHBondContact O-N 3.26Å; K660-Q662 VanDerWaalsContact C-N 3.34Å; K660-Q662 PolarHBondContact O-N 3.29Å; Q662-V664 VanDerWaalsContact C-N 3.29Å; Q662-V664 PolarHBondContact O-N 3.06Å; Q662-S665 WeakPolarHBondContact CA-OG 3.26Å; Q662-S665 PolarHBondContact O-N 2.68Å; Q662-S665 PolarHBondContact O-OG 3.11Å; Q662-S666 PolarHBondContact O-N 3.08Å; Q662-S666 VanDerWaalsContact O-N 3.14Å; Q662-N680 VanDerWaalsContact CD-OD1 3.23Å; Q662-N680 PolarHBondContact NE2-OD1 2.97Å; Q662-N680 PolarHBondContact OE1-ND2 3.17Å; Q662-N680 PolarHBondContact OE1-OD1 3.07Å |
| 663 | S | 74 | Confident | 67.5 | Low | 55 Ų | 55 | 80 Ų | 80 | 39% | 0.385 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61 | -39.7 | 176.7 | 70.1 | 0 | 0 | 0 | 0 | 111.5 | I659 K660 S666 S667 | I659-S663 PolarHBondContact O-N 3.12Å; K660-S663 PolarHBondContact O-N 2.75Å; K660-S663 PolarHBondContact O-OG 3.21Å; S663-S666 PolarHBondContact O-N 2.75Å; S663-S666 PolarHBondContact O-OG 3.4Å; S663-S667 PolarHBondContact O-OG 3.38Å |
| 664 | V | 72.3 | Confident | 64.4 | Low | 90 Ų | 90 | 84.9 Ų | 84.9 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.7 | -36.4 | 178 | 177.3 | 0 | 0 | 0 | 0 | 112.5 | K660 R661 Q662 S667 S668 | K660-V664 WeakPolarHBondContact O-CG2 3.46Å; K660-V664 PolarHBondContact O-N 2.85Å; R661-V664 PolarHBondContact O-N 3.37Å; Q662-V664 VanDerWaalsContact C-N 3.29Å; Q662-V664 PolarHBondContact O-N 3.06Å; V664-S667 PolarHBondContact O-N 3.49Å; V664-S667 PolarHBondContact O-OG 3.05Å; V664-S668 PolarHBondContact O-OG 3.43Å |
| 665 | S | 60.9 | Low | 61.5 | Low | 63 Ų | 63 | 85.7 Ų | 85.7 | 44% | 0.441 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.6 | -33.5 | 177.1 | 49.6 | 0 | 0 | 0 | 0 | 113 | R661 Q662 S667 S668 | R661-S665 PolarHBondContact O-N 3.21Å; R661-S665 VanDerWaalsContact O-N 3.12Å; R661-S665 PolarHBondContact O-OG 2.96Å; Q662-S665 WeakPolarHBondContact CA-OG 3.26Å; Q662-S665 PolarHBondContact O-N 2.68Å; Q662-S665 PolarHBondContact O-OG 3.11Å; S665-S667 PolarHBondContact O-N 3.19Å; S665-S668 PolarHBondContact O-N 3.22Å |
| 666 | S | 56.8 | Low | 58.7 | Low | 103 Ų | 103 | 90.8 Ų | 90.8 | 72% | 0.72 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.2 | -23.2 | 178.1 | 66.4 | 0 | 0 | 0 | 0 | 113.9 | Q662 S663 | Q662-S666 PolarHBondContact O-N 3.08Å; Q662-S666 VanDerWaalsContact O-N 3.14Å; S663-S666 PolarHBondContact O-N 2.75Å; S663-S666 PolarHBondContact O-OG 3.4Å |
| 667 | S | 51.2 | Low | 56.4 | Low | 96 Ų | 96 | 97.7 Ų | 97.7 | 67% | 0.671 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -9.5 | 176.4 | 30.8 | 0 | 0 | 0 | 0 | 114.8 | S663 V664 S665 | S663-S667 PolarHBondContact O-OG 3.38Å; V664-S667 PolarHBondContact O-N 3.49Å; V664-S667 PolarHBondContact O-OG 3.05Å; S665-S667 PolarHBondContact O-N 3.19Å |
| 668 | S | 46.2 | Very low | 54.5 | Low | 89 Ų | 89 | 103 Ų | 103 | 62% | 0.622 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | -8.8 | -163.3 | -50.1 | 0 | 0 | 0 | 0 | 116.5 | V664 S665 | V664-S668 PolarHBondContact O-OG 3.43Å; S665-S668 PolarHBondContact O-N 3.22Å |
| 669 | S | 39.3 | Very low | 53 | Low | 87 Ų | 87 | 104.7 Ų | 104.7 | 61% | 0.608 | 62% | 0.618 | S | S | * | * | trans | -153.6 | 95.1 | -176.7 | 50.7 | 0 | 0 | 0 | 0 | 113.2 | S671 | S669-S671 PolarHBondContact O-N 2.97Š| ||
| 670 | S | 33.2 | Very low | 52.2 | Low | 123 Ų | 123 | 107.3 Ų | 107.3 | 86% | 0.86 | 63% | 0.632 | S | S | * | * | trans | -79.1 | 84.1 | 156.7 | 56.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 671 | S | 32.5 | Very low | 52.1 | Low | 97 Ų | 97 | 108.3 Ų | 108.3 | 68% | 0.678 | 64% | 0.641 | S | S | * | * | trans | 159.7 | 141.5 | 152.2 | 49.4 | 0 | 0 | 0 | 0 | 112 | S669 | S669-S671 PolarHBondContact O-N 2.97Š| ||
| 672 | L | 32.9 | Very low | 52.3 | Low | 151 Ų | 151 | 101.5 Ų | 101.5 | 79% | 0.791 | 62% | 0.617 | S | S | * | * | trans | 93.1 | 80.2 | 164.1 | -58.2 | 151.4 | 0 | 0 | 0 | 118 | ||||
| 673 | T | 31.5 | Very low | 52.9 | Low | 115 Ų | 115 | 100.3 Ų | 100.3 | 71% | 0.706 | 61% | 0.614 | S | S | * | * | 44.5 | 122.9 | 119 | 59.9 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 674 | N | 27.6 | Very low | 53.8 | Low | 161 Ų | 161 | 101.9 Ų | 101.9 | 86% | 0.861 | 61% | 0.614 | S | S | * | * | trans | 69 | 87.6 | 142.9 | -67.8 | -9.4 | 0 | 0 | 0 | 119.2 | ||||
| 675 | S | 31.4 | Very low | 54.8 | Low | 106 Ų | 106 | 97.6 Ų | 97.6 | 74% | 0.741 | 59% | 0.588 | S | S | * | * | -157.5 | 149.1 | 124 | 60.7 | 0 | 0 | 0 | 0 | 109.6 | D677 | S675-D677 PolarHBondContact O-N 3.26Š| |||
| 676 | S | 33.5 | Very low | 56.4 | Low | 118 Ų | 118 | 94.6 Ų | 94.6 | 83% | 0.825 | 57% | 0.567 | S | S | * | * | trans | -50.9 | 100.5 | -169.6 | 51.3 | 0 | 0 | 0 | 0 | 115.4 | K678 | S676-K678 PolarHBondContact O-N 3.48Š| ||
| 677 | D | 42.6 | Very low | 58.2 | Low | 151 Ų | 151 | 92.6 Ų | 92.6 | 81% | 0.807 | 55% | 0.548 | S | S | * | . | trans | -73.2 | 108.1 | 168.9 | -78.5 | -35.3 | 0 | 0 | 0 | 109.5 | S675 | S675-D677 PolarHBondContact O-N 3.26Š| ||
| 678 | K | 50.4 | Low | 60.1 | Low | 181 Ų | 181 | 89 Ų | 89 | 79% | 0.787 | 52% | 0.522 | S | S | * | . | trans | -57.4 | 135.2 | 168.6 | -81.2 | -178.4 | 177 | 178.8 | 0 | 108.1 | S676 | S676-K678 PolarHBondContact O-N 3.48Š| ||
| 679 | P | 55.7 | Low | 62.4 | Low | 94 Ų | 94 | 84.8 Ų | 84.8 | 61% | 0.61 | 49% | 0.492 | S | S | * | . | trans | -53.6 | 144.3 | 175.2 | 22.7 | -33.6 | 0 | 0 | 0 | 110.4 | I681 | P679-I681 HydrophobicContact CB-CD1 4.14Å; P679-I681 HydrophobicContact CB-CG1 3.94Å; P679-I681 HydrophobicContact CG-CD1 3.54Å; P679-I681 HydrophobicContact CG-CG1 3.89Å; P679-I681 PolarHBondContact O-N 2.85Å | ||
| 680 | N | 72.6 | Confident | 64.9 | Low | 67 Ų | 67 | 80.9 Ų | 80.9 | 36% | 0.358 | 46% | 0.464 | S | S | . | . | trans | -67.7 | 67.7 | 178.7 | -71.9 | -9.5 | 0 | 0 | 0 | 111.2 | I659 Q662 I740 | I659-N680 HydrophobicContact CD1-CB 3.96Å; Q662-N680 VanDerWaalsContact CD-OD1 3.23Å; Q662-N680 PolarHBondContact NE2-OD1 2.97Å; Q662-N680 PolarHBondContact OE1-ND2 3.17Å; Q662-N680 PolarHBondContact OE1-OD1 3.07Å; N680-I740 HydrophobicContact CB-CD1 4.06Å; N680-I740 HydrophobicContact CB-CG1 4.31Å; N680-I740 WeakPolarHBondContact O-CG2 3.24Å | ||
| 681 | I | 84.3 | Confident | 67.6 | Low | 115 Ų | 115 | 77.4 Ų | 77.4 | 59% | 0.59 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -90.9 | 126.2 | -177.9 | -59.8 | 174.8 | 0 | 0 | 0 | 107.7 | P679 | P679-I681 HydrophobicContact CB-CD1 4.14Å; P679-I681 HydrophobicContact CB-CG1 3.94Å; P679-I681 HydrophobicContact CG-CD1 3.54Å; P679-I681 HydrophobicContact CG-CG1 3.89Å; P679-I681 PolarHBondContact O-N 2.85Å |
| 682 | P | 89.2 | Confident | 70.4 | Confident | 11 Ų | 11 | 73.5 Ų | 73.5 | 7% | 0.071 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 140.2 | 171.6 | -22.4 | 32.7 | 0 | 0 | 0 | 111.1 | F655 I687 I740 F741 | F655-P682 HydrophobicContact CE2-CB 4.16Å; F655-P682 HydrophobicContact CE2-CG 4.23Å; F655-P682 HydrophobicContact CZ-CB 4.09Å; F655-P682 HydrophobicContact CZ-CG 3.94Å; P682-I687 HydrophobicContact CB-CD1 4.28Å; P682-I687 HydrophobicContact CB-CG1 3.96Å; P682-I687 WeakPolarHBondContact O-CD1 3.46Å; P682-I740 HydrophobicContact CG-CG2 3.81Å; P682-F741 HydrophobicContact CB-CD1 4.03Å; P682-F741 HydrophobicContact CB-CE1 4.35Å; P682-F741 HydrophobicContact CB-CG 4.31Å; P682-F741 HydrophobicContact CG-CB 3.82Å; P682-F741 HydrophobicContact CG-CD1 3.99Å; P682-F741 HydrophobicContact CG-CD2 4.36Å; P682-F741 HydrophobicContact CG-CG 3.81Å |
| 683 | P | 92.4 | Very high | 73 | Confident | 33 Ų | 33 | 66.7 Ų | 66.7 | 21% | 0.214 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -51.5 | 141.7 | 172.8 | -27.4 | 34.2 | 0 | 0 | 0 | 111.9 | D651 F655 S685 L686 I687 | D651-P683 HydrophobicContact CB-CB 4.11Å; D651-P683 HydrophobicContact CB-CG 4.16Å; F655-P683 HydrophobicContact CB-CG 4.34Å; P683-S685 WeakPolarHBondContact CB-OG 3.23Å; P683-S685 PolarHBondContact O-N 3.45Å; P683-S685 VanDerWaalsContact O-N 3.13Å; P683-L686 HydrophobicContact CB-CG 4.25Å; P683-L686 HydrophobicContact CG-CD1 4.26Å; P683-L686 HydrophobicContact CG-CG 4.37Å; P683-L686 PolarHBondContact O-N 3.37Å; P683-I687 PolarHBondContact O-N 2.88Å |
| 684 | K | 93.5 | Very high | 75.5 | Confident | 89 Ų | 89 | 62.9 Ų | 62.9 | 39% | 0.387 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -56 | -33.1 | -179 | -66.4 | -178.7 | -173.2 | 169.4 | 0 | 112.1 | F614 I687 T688 | F614-K684 HydrophobicContact CB-CB 3.78Å; F614-K684 WeakPolarHBondContact O-CD 3.42Å; K684-I687 PolarHBondContact O-N 2.96Å; K684-T688 VanDerWaalsContact O-CB 3.24Å; K684-T688 WeakPolarHBondContact O-CB 3.24Å; K684-T688 PolarHBondContact O-N 3.28Å; K684-T688 PolarHBondContact O-OG1 3.01Å |
| 685 | S | 94.1 | Very high | 78.4 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.8 | -45.7 | 173.6 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | F614 D651 P683 T688 A689 | F614-S685 VanDerWaalsContact CD2-CB 3.43Å; D651-S685 WeakPolarHBondContact CB-OG 3.32Å; D651-S685 VanDerWaalsContact OD2-CB 3.32Å; D651-S685 WeakPolarHBondContact OD2-CB 3.22Å; D651-S685 PolarHBondContact OD2-OG 2.85Å; P683-S685 WeakPolarHBondContact CB-OG 3.23Å; P683-S685 PolarHBondContact O-N 3.45Å; P683-S685 VanDerWaalsContact O-N 3.13Å; S685-T688 PolarHBondContact O-N 3.45Å; S685-A689 WeakPolarHBondContact O-CB 3.47Å; S685-A689 PolarHBondContact O-N 3.12Å |
| 686 | L | 94.3 | Very high | 81.1 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.8 | -43.6 | 178.7 | -57.4 | -170.4 | 0 | 0 | 0 | 111.4 | L648 D651 F655 P683 T688 A689 V690 L727 F741 | L648-L686 HydrophobicContact CD2-CD2 3.87Å; D651-L686 HydrophobicContact CB-CD2 4.05Å; D651-L686 HydrophobicContact CB-CG 4.19Å; F655-L686 HydrophobicContact CB-CD1 3.75Å; F655-L686 HydrophobicContact CD1-CD1 3.69Å; F655-L686 HydrophobicContact CG-CD1 3.84Å; P683-L686 HydrophobicContact CB-CG 4.25Å; P683-L686 HydrophobicContact CG-CD1 4.26Å; P683-L686 HydrophobicContact CG-CG 4.37Å; P683-L686 PolarHBondContact O-N 3.37Å; L686-T688 PolarHBondContact O-N 3.27Å; L686-A689 PolarHBondContact O-N 2.79Å; L686-V690 WeakPolarHBondContact O-CG2 3.37Å; L686-V690 PolarHBondContact O-N 3.29Å; L686-L727 HydrophobicContact CD1-CD1 4.48Å; L686-F741 HydrophobicContact CB-CE1 4.15Å |
| 687 | I | 93.1 | Very high | 83.5 | Confident | 61 Ų | 61 | 49.4 Ų | 49.4 | 31% | 0.313 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -55.4 | -45.5 | 174.6 | -61 | 175.4 | 0 | 0 | 0 | 109.9 | P682 P683 K684 G691 F741 | P682-I687 HydrophobicContact CB-CD1 4.28Å; P682-I687 HydrophobicContact CB-CG1 3.96Å; P682-I687 WeakPolarHBondContact O-CD1 3.46Å; P683-I687 PolarHBondContact O-N 2.88Å; K684-I687 PolarHBondContact O-N 2.96Å; I687-G691 PolarHBondContact O-N 3.19Å; I687-F741 HydrophobicContact CB-CZ 4.44Å; I687-F741 HydrophobicContact CG1-CE2 4.22Å; I687-F741 HydrophobicContact CG1-CZ 4.2Å |
| 688 | T | 92.8 | Very high | 85.5 | Confident | 21 Ų | 21 | 46.7 Ų | 46.7 | 13% | 0.129 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.5 | -47.5 | -179.5 | -61.7 | 0 | 0 | 0 | 0 | 112.6 | F614 W619 L644 K684 S685 L686 V690 G691 I692 | F614-T688 HydrophobicContact CD1-CG2 3.68Å; F614-T688 HydrophobicContact CE1-CG2 3.67Å; W619-T688 HydrophobicContact CD2-CG2 3.59Å; W619-T688 HydrophobicContact CE3-CG2 4.14Å; W619-T688 HydrophobicContact CG-CG2 4.13Å; W619-T688 HydrophobicContact CH2-CG2 3.82Å; W619-T688 HydrophobicContact CZ2-CG2 3.21Å; W619-T688 HydrophobicContact CZ3-CG2 4.22Å; W619-T688 VanDerWaalsContact NE1-CG2 3.29Å; L644-T688 HydrophobicContact CD2-CG2 4.47Å; K684-T688 VanDerWaalsContact O-CB 3.24Å; K684-T688 WeakPolarHBondContact O-CB 3.24Å; K684-T688 PolarHBondContact O-N 3.28Å; K684-T688 PolarHBondContact O-OG1 3.01Å; S685-T688 PolarHBondContact O-N 3.45Å; L686-T688 PolarHBondContact O-N 3.27Å; T688-V690 VanDerWaalsContact C-N 3.3Å; T688-V690 PolarHBondContact O-N 3.44Å; T688-G691 PolarHBondContact O-N 3.47Å; T688-I692 PolarHBondContact O-N 3.36Å |
| 689 | A | 92.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.2 | -36 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L644 L648 S685 L686 | L644-A689 HydrophobicContact CD2-CB 4.12Å; L648-A689 HydrophobicContact CD1-CB 4.06Å; L648-A689 HydrophobicContact CD2-CB 4.25Å; L648-A689 HydrophobicContact CG-CB 3.92Å; S685-A689 WeakPolarHBondContact O-CB 3.47Å; S685-A689 PolarHBondContact O-N 3.12Å; L686-A689 PolarHBondContact O-N 2.79Å |
| 690 | V | 92.2 | Very high | 88.4 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.024 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -72.9 | -44.1 | 172.7 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | L686 T688 I692 T693 L727 F741 Q743 L744 I747 | L686-V690 WeakPolarHBondContact O-CG2 3.37Å; L686-V690 PolarHBondContact O-N 3.29Å; T688-V690 VanDerWaalsContact C-N 3.3Å; T688-V690 PolarHBondContact O-N 3.44Å; V690-I692 PolarHBondContact O-N 3.5Å; V690-T693 WeakPolarHBondContact O-CG2 3.35Å; V690-T693 PolarHBondContact O-N 3.12Å; V690-T693 PolarHBondContact O-OG1 2.63Å; V690-L727 HydrophobicContact CG2-CD2 4.35Å; V690-F741 HydrophobicContact CB-CZ 3.81Å; V690-F741 HydrophobicContact CG1-CZ 4.18Å; V690-F741 HydrophobicContact CG2-CE1 3.96Å; V690-F741 HydrophobicContact CG2-CZ 3.75Å; V690-Q743 HydrophobicContact CG1-CB 4.03Å; V690-L744 HydrophobicContact CG2-CD2 3.91Å; V690-I747 HydrophobicContact CG1-CB 4.49Å; V690-I747 HydrophobicContact CG1-CD1 3.84Å; V690-I747 HydrophobicContact CG1-CG1 4.07Å |
| 691 | G | 91 | Very high | 88.7 | Confident | 51 Ų | 51 | 34.3 Ų | 34.3 | 53% | 0.526 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.9 | -31.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | I687 T688 T693 | I687-G691 PolarHBondContact O-N 3.19Å; T688-G691 PolarHBondContact O-N 3.47Å; G691-T693 VanDerWaalsContact C-N 3.3Å; G691-T693 PolarHBondContact O-N 2.97Å |
| 692 | I | 90.8 | Very high | 88.4 | Confident | 15 Ų | 15 | 33.1 Ų | 33.1 | 8% | 0.077 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -13 | -177.9 | -160.6 | 62.2 | 0 | 0 | 0 | 113.7 | L623 F627 L644 T688 V690 G694 R695 L696 | L623-I692 HydrophobicContact CD1-CD1 4.28Å; L623-I692 HydrophobicContact CD2-CD1 3.59Å; L623-I692 HydrophobicContact CD2-CG1 4.34Å; F627-I692 HydrophobicContact CD2-CG1 4.21Å; L644-I692 HydrophobicContact CD1-CG2 3.72Å; L644-I692 HydrophobicContact CD2-CG2 4.48Å; T688-I692 PolarHBondContact O-N 3.36Å; V690-I692 PolarHBondContact O-N 3.5Å; I692-G694 VanDerWaalsContact C-N 3.27Å; I692-G694 PolarHBondContact O-N 3.44Å; I692-R695 HydrophobicContact CD1-CB 3.99Å; I692-R695 HydrophobicContact CD1-CG 4.38Å; I692-R695 HydrophobicContact CG1-CB 4.48Å; I692-R695 WeakPolarHBondContact O-CB 3.29Å; I692-R695 PolarHBondContact O-N 2.85Å; I692-L696 HydrophobicContact CG2-CD1 4.16Å; I692-L696 PolarHBondContact O-N 3.06Å; I692-L696 VanDerWaalsContact O-N 3.09Å |
| 693 | T | 86.5 | Confident | 87.7 | Confident | 8 Ų | 8 | 36.7 Ų | 36.7 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.8 | -36.6 | -175.9 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | V690 G691 R695 L696 I697 M721 I724 I747 | V690-T693 WeakPolarHBondContact O-CG2 3.35Å; V690-T693 PolarHBondContact O-N 3.12Å; V690-T693 PolarHBondContact O-OG1 2.63Å; G691-T693 VanDerWaalsContact C-N 3.3Å; G691-T693 PolarHBondContact O-N 2.97Å; T693-R695 VanDerWaalsContact C-N 3.32Å; T693-R695 PolarHBondContact O-N 3.23Å; T693-L696 WeakPolarHBondContact O-CB 3.32Å; T693-L696 PolarHBondContact O-N 3.03Å; T693-L696 VanDerWaalsContact O-N 3.13Å; T693-I697 WeakPolarHBondContact O-CG1 3.42Å; T693-I697 PolarHBondContact O-N 3.33Å; T693-M721 HydrophobicContact CG2-CE 4.41Å; T693-I724 HydrophobicContact CG2-CD1 3.46Å; T693-I724 VanDerWaalsContact CG2-CD1 3.46Å; T693-I747 HydrophobicContact CG2-CD1 3.71Å; T693-I747 HydrophobicContact CG2-CG1 4.47Å; T693-I747 WeakPolarHBondContact OG1-CD1 3.48Å |
| 694 | G | 85.5 | Confident | 87 | Confident | 35 Ų | 35 | 39.6 Ų | 39.6 | 36% | 0.361 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.1 | -43.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I692 L696 I697 E698 | I692-G694 VanDerWaalsContact C-N 3.27Å; I692-G694 PolarHBondContact O-N 3.44Å; G694-L696 VanDerWaalsContact C-N 3.35Å; G694-L696 PolarHBondContact O-N 3.5Å; G694-I697 WeakPolarHBondContact O-CB 3.41Å; G694-I697 PolarHBondContact O-N 3.46Å; G694-E698 PolarHBondContact O-N 3.29Å |
| 695 | R | 88 | Confident | 86.2 | Confident | 74 Ų | 74 | 35.7 Ų | 35.7 | 28% | 0.279 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.4 | -36 | 175.8 | -177.2 | 56.4 | 175.3 | 174.5 | 0.3 | 112.1 | F627 I692 T693 I697 E698 L699 | F627-R695 PolarHBondContact O-NE 3.04Å; F627-R695 PolarHBondContact O-NH2 3.33Å; F627-R695 VanDerWaalsContact O-NH2 3.16Å; I692-R695 HydrophobicContact CD1-CB 3.99Å; I692-R695 HydrophobicContact CD1-CG 4.38Å; I692-R695 HydrophobicContact CG1-CB 4.48Å; I692-R695 WeakPolarHBondContact O-CB 3.29Å; I692-R695 PolarHBondContact O-N 2.85Å; T693-R695 VanDerWaalsContact C-N 3.32Å; T693-R695 PolarHBondContact O-N 3.23Å; R695-I697 VanDerWaalsContact C-N 3.32Å; R695-I697 PolarHBondContact O-N 3.4Å; R695-E698 VanDerWaalsContact CD-OE2 3.32Å; R695-E698 WeakPolarHBondContact CD-OE2 3.21Å; R695-E698 IonicContact CZ-OE2 3.59Å; R695-E698 IonicContact NE-OE2 2.8Å; R695-E698 IonicContact NH1-OE2 3.91Å; R695-E698 PolarHBondContact NH1-OE2 2.96Å; R695-E698 PolarHBondContact O-N 2.98Å; R695-L699 HydrophobicContact CG-CD1 4.38Å; R695-L699 WeakPolarHBondContact O-CG 3.37Å; R695-L699 PolarHBondContact O-N 3.5Å |
| 696 | L | 87.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.9 | -36.3 | 176.2 | -65.7 | 176.5 | 0 | 0 | 0 | 112 | F627 L641 I692 T693 G694 E698 L699 V700 L717 L720 | F627-L696 HydrophobicContact CD1-CD2 4.48Å; F627-L696 HydrophobicContact CE1-CD2 4.15Å; F627-L696 HydrophobicContact CE2-CD2 4.35Å; F627-L696 HydrophobicContact CZ-CD2 4.09Å; L641-L696 HydrophobicContact CD2-CD1 4.32Å; L641-L696 HydrophobicContact CD2-CD2 3.9Å; I692-L696 HydrophobicContact CG2-CD1 4.16Å; I692-L696 PolarHBondContact O-N 3.06Å; I692-L696 VanDerWaalsContact O-N 3.09Å; T693-L696 WeakPolarHBondContact O-CB 3.32Å; T693-L696 PolarHBondContact O-N 3.03Å; T693-L696 VanDerWaalsContact O-N 3.13Å; G694-L696 VanDerWaalsContact C-N 3.35Å; G694-L696 PolarHBondContact O-N 3.5Å; L696-E698 VanDerWaalsContact C-N 3.35Å; L696-L699 HydrophobicContact CD2-CD1 4.5Å; L696-L699 PolarHBondContact O-N 3.47Å; L696-V700 WeakPolarHBondContact O-CB 3.45Å; L696-V700 VanDerWaalsContact O-CG2 3.27Å; L696-V700 WeakPolarHBondContact O-CG2 3.37Å; L696-V700 PolarHBondContact O-N 2.79Å; L696-L717 HydrophobicContact CD1-CD1 3.95Å; L696-L720 HydrophobicContact CD1-CD2 3.51Å |
| 697 | I | 85.2 | Confident | 84.2 | Confident | 27 Ų | 27 | 39.6 Ų | 39.6 | 14% | 0.138 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.2 | -50 | 172.5 | -62 | 167 | 0 | 0 | 0 | 110.1 | T693 G694 R695 L699 V700 N701 V750 I754 | T693-I697 WeakPolarHBondContact O-CG1 3.42Å; T693-I697 PolarHBondContact O-N 3.33Å; G694-I697 WeakPolarHBondContact O-CB 3.41Å; G694-I697 PolarHBondContact O-N 3.46Å; R695-I697 VanDerWaalsContact C-N 3.32Å; R695-I697 PolarHBondContact O-N 3.4Å; I697-L699 VanDerWaalsContact C-N 3.33Å; I697-L699 PolarHBondContact O-N 3.01Å; I697-V700 PolarHBondContact O-N 2.82Å; I697-N701 WeakPolarHBondContact O-CB 3.32Å; I697-N701 PolarHBondContact O-N 3.23Å; I697-N701 PolarHBondContact O-OD1 3.23Å; I697-V750 HydrophobicContact CD1-CB 4.19Å; I697-V750 HydrophobicContact CD1-CG1 3.4Å; I697-V750 HydrophobicContact CD1-CG2 4.04Å; I697-V750 HydrophobicContact CG1-CG1 3.91Å; I697-I754 HydrophobicContact CB-CG1 4.4Å; I697-I754 HydrophobicContact CG1-CD1 3.61Å; I697-I754 HydrophobicContact CG1-CG1 3.49Å; I697-I754 VanDerWaalsContact CG1-CG1 3.49Å |
| 698 | E | 84.6 | Confident | 83.1 | Confident | 94 Ų | 94 | 38.2 Ų | 38.2 | 44% | 0.439 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.4 | -45.4 | 179.3 | -64.7 | 173 | -180 | 0 | 0 | 111.5 | G694 R695 L696 V700 N701 D702 | G694-E698 PolarHBondContact O-N 3.29Å; R695-E698 VanDerWaalsContact CD-OE2 3.32Å; R695-E698 WeakPolarHBondContact CD-OE2 3.21Å; R695-E698 IonicContact CZ-OE2 3.59Å; R695-E698 IonicContact NE-OE2 2.8Å; R695-E698 IonicContact NH1-OE2 3.91Å; R695-E698 PolarHBondContact NH1-OE2 2.96Å; R695-E698 PolarHBondContact O-N 2.98Å; L696-E698 VanDerWaalsContact C-N 3.35Å; E698-V700 VanDerWaalsContact C-N 3.33Å; E698-V700 PolarHBondContact O-N 2.89Å; E698-N701 PolarHBondContact O-N 2.8Å; E698-D702 WeakPolarHBondContact O-CB 3.45Å; E698-D702 VanDerWaalsContact O-CG 3.29Å; E698-D702 PolarHBondContact O-N 2.92Å |
| 699 | L | 84.7 | Confident | 82.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.3 | -32.1 | -179.6 | -68.4 | 177 | 0 | 0 | 0 | 113.6 | F627 L632 R695 L696 I697 K704 L705 | F627-L699 HydrophobicContact CB-CD1 3.9Å; F627-L699 HydrophobicContact CD1-CD1 3.67Å; F627-L699 HydrophobicContact CG-CD1 4.05Å; L632-L699 HydrophobicContact CD1-CD2 4.16Å; L632-L699 HydrophobicContact CD2-CD2 4.09Å; R695-L699 HydrophobicContact CG-CD1 4.38Å; R695-L699 WeakPolarHBondContact O-CG 3.37Å; R695-L699 PolarHBondContact O-N 3.5Å; L696-L699 HydrophobicContact CD2-CD1 4.5Å; L696-L699 PolarHBondContact O-N 3.47Å; I697-L699 VanDerWaalsContact C-N 3.33Å; I697-L699 PolarHBondContact O-N 3.01Å; L699-K704 HydrophobicContact CB-CB 4.49Å; L699-K704 HydrophobicContact CD2-CB 3.87Å; L699-K704 HydrophobicContact CD2-CD 3.8Å; L699-K704 HydrophobicContact CD2-CG 4.47Å; L699-K704 PolarHBondContact O-N 3.33Å; L699-L705 HydrophobicContact CB-CD1 3.97Å; L699-L705 HydrophobicContact CB-CG 4.02Å |
| 700 | V | 82.6 | Confident | 81.5 | Confident | 11 Ų | 11 | 46.5 Ų | 46.5 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.6 | -46.3 | 173.7 | 171.2 | 0 | 0 | 0 | 0 | 110.2 | L696 I697 E698 D702 N703 L705 L717 I754 I758 | L696-V700 WeakPolarHBondContact O-CB 3.45Å; L696-V700 VanDerWaalsContact O-CG2 3.27Å; L696-V700 WeakPolarHBondContact O-CG2 3.37Å; L696-V700 PolarHBondContact O-N 2.79Å; I697-V700 PolarHBondContact O-N 2.82Å; E698-V700 VanDerWaalsContact C-N 3.33Å; E698-V700 PolarHBondContact O-N 2.89Å; V700-D702 VanDerWaalsContact C-N 3.33Å; V700-D702 PolarHBondContact O-N 3.48Å; V700-N703 PolarHBondContact O-N 3.36Å; V700-L705 HydrophobicContact CG2-CD1 4.27Å; V700-L717 HydrophobicContact CG2-CD2 3.5Å; V700-L717 VanDerWaalsContact CG2-CD2 3.5Å; V700-I754 HydrophobicContact CG2-CG2 4.48Å; V700-I758 HydrophobicContact CG1-CG1 3.95Å |
| 701 | N | 77.7 | Confident | 81 | Confident | 72 Ų | 72 | 49.4 Ų | 49.4 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62 | -40.4 | 179.6 | -69.6 | -3.1 | 0 | 0 | 0 | 112 | I697 E698 N703 N757 | I697-N701 WeakPolarHBondContact O-CB 3.32Å; I697-N701 PolarHBondContact O-N 3.23Å; I697-N701 PolarHBondContact O-OD1 3.23Å; E698-N701 PolarHBondContact O-N 2.8Å; N701-N703 PolarHBondContact O-N 3.08Å; N701-N757 PolarHBondContact OD1-ND2 2.91Å |
| 702 | D | 77.4 | Confident | 80.7 | Confident | 89 Ų | 89 | 48.2 Ų | 48.2 | 48% | 0.476 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | 0.7 | 177.2 | -70.3 | -5.8 | 0 | 0 | 0 | 113 | E698 V700 K704 | E698-D702 WeakPolarHBondContact O-CB 3.45Å; E698-D702 VanDerWaalsContact O-CG 3.29Å; E698-D702 PolarHBondContact O-N 2.92Å; V700-D702 VanDerWaalsContact C-N 3.33Å; V700-D702 PolarHBondContact O-N 3.48Å; D702-K704 HydrophobicContact CB-CB 4.26Å; D702-K704 HydrophobicContact CB-CD 3.68Å; D702-K704 HydrophobicContact CB-CG 3.79Å; D702-K704 PolarHBondContact O-N 2.8Å; D702-K704 WeakPolarHBondContact OD2-CE 3.32Å; D702-K704 IonicContact OD2-NZ 3.61Å; D702-K704 PolarHBondContact OD2-NZ 3.42Å |
| 703 | N | 75.4 | Confident | 80.5 | Confident | 86 Ų | 86 | 47.9 Ų | 47.9 | 46% | 0.46 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 24.2 | -171 | -166 | 26.7 | 0 | 0 | 0 | 114 | V700 N701 L705 Q706 F707 | V700-N703 PolarHBondContact O-N 3.36Å; N701-N703 PolarHBondContact O-N 3.08Å; N703-L705 VanDerWaalsContact C-N 3.27Å; N703-L705 PolarHBondContact O-N 3Å; N703-Q706 PolarHBondContact O-N 3.37Å; N703-F707 PolarHBondContact OD1-N 2.95Å |
| 704 | K | 77.1 | Confident | 80.7 | Confident | 95 Ų | 95 | 47.6 Ų | 47.6 | 41% | 0.413 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -28 | -176.9 | -91.8 | 171.7 | -178.2 | 159.8 | 0 | 112.9 | L632 L699 D702 Q706 | L632-K704 HydrophobicContact CD1-CB 3.55Å; L632-K704 HydrophobicContact CD1-CD 3.82Å; L632-K704 HydrophobicContact CD1-CG 3.66Å; L699-K704 HydrophobicContact CB-CB 4.49Å; L699-K704 HydrophobicContact CD2-CB 3.87Å; L699-K704 HydrophobicContact CD2-CD 3.8Å; L699-K704 HydrophobicContact CD2-CG 4.47Å; L699-K704 PolarHBondContact O-N 3.33Å; D702-K704 HydrophobicContact CB-CB 4.26Å; D702-K704 HydrophobicContact CB-CD 3.68Å; D702-K704 HydrophobicContact CB-CG 3.79Å; D702-K704 PolarHBondContact O-N 2.8Å; D702-K704 WeakPolarHBondContact OD2-CE 3.32Å; D702-K704 IonicContact OD2-NZ 3.61Å; D702-K704 PolarHBondContact OD2-NZ 3.42Å; K704-Q706 PolarHBondContact O-N 3.26Å |
| 705 | L | 77.2 | Confident | 80.9 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 0.7 | 173.6 | -69.9 | 170.8 | 0 | 0 | 0 | 113.4 | F627 C637 L699 V700 N703 F707 | F627-L705 HydrophobicContact CE1-CD2 4.45Å; C637-L705 HydrophobicContact CB-CD2 3.96Å; L699-L705 HydrophobicContact CB-CD1 3.97Å; L699-L705 HydrophobicContact CB-CG 4.02Å; V700-L705 HydrophobicContact CG2-CD1 4.27Å; N703-L705 VanDerWaalsContact C-N 3.27Å; N703-L705 PolarHBondContact O-N 3Å; L705-F707 VanDerWaalsContact C-N 3.29Å; L705-F707 HydrophobicContact CB-CD2 3.59Å; L705-F707 HydrophobicContact CB-CE2 3.8Å; L705-F707 HydrophobicContact CD1-CD2 4.39Å; L705-F707 HydrophobicContact CD1-CE2 3.94Å; L705-F707 PolarHBondContact O-N 2.96Å |
| 706 | Q | 74.1 | Confident | 81.1 | Confident | 79 Ų | 79 | 43.2 Ų | 43.2 | 37% | 0.369 | 22% | 0.217 | S | C | . | . | trans | 50.3 | 48.3 | -178.4 | -63.3 | -175.8 | -22.5 | 0 | 0 | 112.2 | N703 K704 A708 I709 R710 | N703-Q706 PolarHBondContact O-N 3.37Å; K704-Q706 PolarHBondContact O-N 3.26Å; Q706-A708 VanDerWaalsContact C-N 3.28Å; Q706-A708 PolarHBondContact O-N 2.96Å; Q706-I709 PolarHBondContact O-N 3.12Å; Q706-R710 HydrophobicContact CB-CG 4.08Å; Q706-R710 PolarHBondContact O-N 3.36Å; Q706-R710 VanDerWaalsContact OE1-CZ 3.24Å | ||
| 707 | F | 72.9 | Confident | 81.4 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -38.5 | -169.5 | -115.2 | -102.7 | 0 | 0 | 0 | 112.5 | N703 L705 I709 Q713 Q714 L717 I758 L761 | N703-F707 PolarHBondContact OD1-N 2.95Å; L705-F707 VanDerWaalsContact C-N 3.29Å; L705-F707 HydrophobicContact CB-CD2 3.59Å; L705-F707 HydrophobicContact CB-CE2 3.8Å; L705-F707 HydrophobicContact CD1-CD2 4.39Å; L705-F707 HydrophobicContact CD1-CE2 3.94Å; L705-F707 PolarHBondContact O-N 2.96Å; F707-I709 VanDerWaalsContact C-N 3.25Å; F707-I709 PolarHBondContact O-N 2.9Å; F707-Q713 HydrophobicContact CE2-CB 4.37Å; F707-Q713 VanDerWaalsContact CZ-O 3.31Å; F707-Q713 WeakPolarHBondContact CZ-O 3.47Å; F707-Q714 HydrophobicContact CD1-CB 4.4Å; F707-Q714 HydrophobicContact CD1-CG 3.86Å; F707-Q714 VanDerWaalsContact CE1-CA 3.42Å; F707-Q714 HydrophobicContact CE1-CB 4.05Å; F707-Q714 HydrophobicContact CE1-CG 4.02Å; F707-Q714 VanDerWaalsContact O-CG 3.24Å; F707-Q714 WeakPolarHBondContact O-CG 3.32Å; F707-Q714 PolarHBondContact O-NE2 3.03Å; F707-L717 HydrophobicContact CD2-CD2 4.47Å; F707-L717 HydrophobicContact CE1-CB 4.18Å; F707-L717 HydrophobicContact CE1-CD2 3.87Å; F707-L717 HydrophobicContact CE2-CB 4.15Å; F707-L717 HydrophobicContact CE2-CD2 3.5Å; F707-L717 HydrophobicContact CE2-CG 4.47Å; F707-L717 HydrophobicContact CZ-CB 3.36Å; F707-L717 HydrophobicContact CZ-CD2 3.2Å; F707-L717 HydrophobicContact CZ-CG 3.89Å; F707-I758 HydrophobicContact CD1-CD1 4.09Å; F707-I758 HydrophobicContact CD1-CG1 4.05Å; F707-I758 HydrophobicContact CD1-CG2 3.94Å; F707-I758 HydrophobicContact CE1-CD1 3.74Å; F707-I758 HydrophobicContact CE1-CG1 4.23Å; F707-I758 HydrophobicContact CE1-CG2 4.27Å; F707-I758 HydrophobicContact CZ-CD1 4.43Å; F707-L761 HydrophobicContact CB-CD1 4.4Å |
| 708 | A | 68.5 | Low | 81.8 | Confident | 33 Ų | 33 | 42 Ų | 42 | 27% | 0.273 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -30.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q706 | Q706-A708 VanDerWaalsContact C-N 3.28Å; Q706-A708 PolarHBondContact O-N 2.96Å |
| 709 | I | 73.1 | Confident | 82.3 | Confident | 132 Ų | 132 | 37.5 Ų | 37.5 | 68% | 0.677 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -35.5 | -169.2 | -55.1 | 172.4 | 0 | 0 | 0 | 111.3 | Q706 F707 | Q706-I709 PolarHBondContact O-N 3.12Å; F707-I709 VanDerWaalsContact C-N 3.25Å; F707-I709 PolarHBondContact O-N 2.9Å |
| 710 | R | 79 | Confident | 82.9 | Confident | 62 Ų | 62 | 37.5 Ų | 37.5 | 23% | 0.234 | 19% | 0.19 | C | C | . | . | trans | -104.3 | 92 | -169.1 | -51.2 | -169 | -179.2 | -128.7 | -2.1 | 113.4 | S634 Q706 P712 Q713 Q714 | S634-R710 WeakPolarHBondContact OG-CD 3.39Å; S634-R710 PolarHBondContact OG-NE 2.8Å; S634-R710 PolarHBondContact OG-NH1 2.9Å; Q706-R710 HydrophobicContact CB-CG 4.08Å; Q706-R710 PolarHBondContact O-N 3.36Å; Q706-R710 VanDerWaalsContact OE1-CZ 3.24Å; R710-P712 VanDerWaalsContact C-CD 3.44Å; R710-Q713 HydrophobicContact CB-CB 4.33Å; R710-Q713 HydrophobicContact CB-CG 4.26Å; R710-Q713 WeakPolarHBondContact O-CB 3.01Å; R710-Q713 PolarHBondContact O-N 3.26Å; R710-Q713 PolarHBondContact O-OE1 3.41Å; R710-Q714 PolarHBondContact O-N 3.06Å | ||
| 711 | K | 81.3 | Confident | 83.5 | Confident | 65 Ų | 65 | 37 Ų | 37 | 28% | 0.283 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -52.6 | -40.2 | 179.3 | -53.5 | -60.9 | -172.5 | 176.9 | 0 | 115.1 | Q713 Q714 I715 T771 Q772 H774 | K711-Q713 VanDerWaalsContact C-N 3.31Å; K711-Q713 PolarHBondContact O-N 3.49Å; K711-Q714 WeakPolarHBondContact O-CB 3.28Å; K711-Q714 PolarHBondContact O-N 3.21Å; K711-Q714 VanDerWaalsContact O-N 3.16Å; K711-I715 PolarHBondContact O-N 3.07Å; K711-I715 VanDerWaalsContact O-N 3.11Å; K711-T771 PolarHBondContact NZ-O 3.08Å; K711-Q772 PolarHBondContact NZ-O 2.93Å; K711-H774 HydrophobicContact CD-CB 4.35Å |
| 712 | P | 85.6 | Confident | 84.4 | Confident | 26 Ų | 26 | 34.3 Ų | 34.3 | 17% | 0.169 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.7 | -36.3 | 179.6 | -24.7 | 36.1 | 0 | 0 | 0 | 113.4 | L638 R710 Q714 I715 A716 | L638-P712 HydrophobicContact CD1-CB 3.92Å; L638-P712 WeakPolarHBondContact CD1-O 3.45Å; L638-P712 HydrophobicContact CD2-CB 3.77Å; R710-P712 VanDerWaalsContact C-CD 3.44Å; P712-Q714 VanDerWaalsContact C-N 3.34Å; P712-I715 PolarHBondContact O-N 2.97Å; P712-A716 WeakPolarHBondContact O-CB 3.34Å; P712-A716 PolarHBondContact O-N 3.41Å |
| 713 | Q | 87.6 | Confident | 85.3 | Confident | 8 Ų | 8 | 30.1 Ų | 30.1 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.8 | -39 | 176.2 | -73.1 | 73.9 | -9.8 | 0 | 0 | 109.8 | S634 L638 F707 R710 K711 A716 L717 | S634-Q713 PolarHBondContact O-NE2 3.28Å; S634-Q713 PolarHBondContact OG-NE2 3.15Å; L638-Q713 HydrophobicContact CB-CG 4.29Å; L638-Q713 HydrophobicContact CD1-CG 4.29Å; F707-Q713 HydrophobicContact CE2-CB 4.37Å; F707-Q713 VanDerWaalsContact CZ-O 3.31Å; F707-Q713 WeakPolarHBondContact CZ-O 3.47Å; R710-Q713 HydrophobicContact CB-CB 4.33Å; R710-Q713 HydrophobicContact CB-CG 4.26Å; R710-Q713 WeakPolarHBondContact O-CB 3.01Å; R710-Q713 PolarHBondContact O-N 3.26Å; R710-Q713 PolarHBondContact O-OE1 3.41Å; K711-Q713 VanDerWaalsContact C-N 3.31Å; K711-Q713 PolarHBondContact O-N 3.49Å; Q713-A716 PolarHBondContact O-N 2.88Å; Q713-L717 PolarHBondContact O-N 3.2Å |
| 714 | Q | 89.1 | Confident | 86.3 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.009 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.2 | -51.8 | 174.1 | -59.4 | 174 | 0.7 | 0 | 0 | 112.1 | F707 R710 K711 P712 A718 Q772 L773 A777 | F707-Q714 HydrophobicContact CD1-CB 4.4Å; F707-Q714 HydrophobicContact CD1-CG 3.86Å; F707-Q714 VanDerWaalsContact CE1-CA 3.42Å; F707-Q714 HydrophobicContact CE1-CB 4.05Å; F707-Q714 HydrophobicContact CE1-CG 4.02Å; F707-Q714 VanDerWaalsContact O-CG 3.24Å; F707-Q714 WeakPolarHBondContact O-CG 3.32Å; F707-Q714 PolarHBondContact O-NE2 3.03Å; R710-Q714 PolarHBondContact O-N 3.06Å; K711-Q714 WeakPolarHBondContact O-CB 3.28Å; K711-Q714 PolarHBondContact O-N 3.21Å; K711-Q714 VanDerWaalsContact O-N 3.16Å; P712-Q714 VanDerWaalsContact C-N 3.34Å; Q714-A718 WeakPolarHBondContact O-CB 3.33Å; Q714-A718 PolarHBondContact O-N 3.2Å; Q714-Q772 PolarHBondContact NE2-O 3.19Å; Q714-L773 HydrophobicContact CG-CD2 4.49Å; Q714-A777 HydrophobicContact CB-CB 4.06Å |
| 715 | I | 89.7 | Confident | 87.2 | Confident | 17 Ų | 17 | 21.5 Ų | 21.5 | 9% | 0.087 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.9 | -47 | 179.5 | -64.4 | 158.9 | 0 | 0 | 0 | 110.5 | K711 P712 L717 A718 N719 H774 A777 | K711-I715 PolarHBondContact O-N 3.07Å; K711-I715 VanDerWaalsContact O-N 3.11Å; P712-I715 PolarHBondContact O-N 2.97Å; I715-L717 PolarHBondContact O-N 3.17Å; I715-A718 PolarHBondContact O-N 3.24Å; I715-N719 WeakPolarHBondContact O-CB 3.33Å; I715-N719 PolarHBondContact O-N 3.43Å; I715-N719 PolarHBondContact O-OD1 2.94Å; I715-H774 HydrophobicContact CD1-CB 4.41Å; I715-H774 HydrophobicContact CG1-CB 4.12Å; I715-A777 HydrophobicContact CG1-CB 4.33Å |
| 716 | A | 92.4 | Very high | 88 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | M530 L638 L641 R642 V645 P712 Q713 L720 | M530-A716 HydrophobicContact SD-CB 4.39Å; L638-A716 HydrophobicContact CD1-CB 3.91Å; L641-A716 HydrophobicContact CB-CB 3.8Å; L641-A716 HydrophobicContact CD1-CB 4.34Å; R642-A716 HydrophobicContact CG-CB 4.16Å; V645-A716 VanDerWaalsContact CG2-O 3.22Å; V645-A716 WeakPolarHBondContact CG2-O 3.34Å; P712-A716 WeakPolarHBondContact O-CB 3.34Å; P712-A716 PolarHBondContact O-N 3.41Å; Q713-A716 PolarHBondContact O-N 2.88Å; A716-L720 PolarHBondContact O-N 2.8Å |
| 717 | L | 93.5 | Very high | 89 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -70.8 | -39.1 | 176.4 | -173 | 62.2 | 0 | 0 | 0 | 112.2 | L641 L696 V700 F707 Q713 I715 N719 L720 M721 I754 I758 | L641-L717 HydrophobicContact CD1-CB 4.35Å; L641-L717 HydrophobicContact CD2-CD1 3.87Å; L696-L717 HydrophobicContact CD1-CD1 3.95Å; V700-L717 HydrophobicContact CG2-CD2 3.5Å; V700-L717 VanDerWaalsContact CG2-CD2 3.5Å; F707-L717 HydrophobicContact CD2-CD2 4.47Å; F707-L717 HydrophobicContact CE1-CB 4.18Å; F707-L717 HydrophobicContact CE1-CD2 3.87Å; F707-L717 HydrophobicContact CE2-CB 4.15Å; F707-L717 HydrophobicContact CE2-CD2 3.5Å; F707-L717 HydrophobicContact CE2-CG 4.47Å; F707-L717 HydrophobicContact CZ-CB 3.36Å; F707-L717 HydrophobicContact CZ-CD2 3.2Å; F707-L717 HydrophobicContact CZ-CG 3.89Å; Q713-L717 PolarHBondContact O-N 3.2Å; I715-L717 PolarHBondContact O-N 3.17Å; L717-N719 VanDerWaalsContact C-N 3.31Å; L717-N719 PolarHBondContact O-N 3.11Å; L717-L720 HydrophobicContact CD1-CD2 4.32Å; L717-L720 WeakPolarHBondContact O-CB 3.24Å; L717-L720 PolarHBondContact O-N 2.83Å; L717-L720 VanDerWaalsContact O-N 3.11Å; L717-M721 HydrophobicContact CD1-CE 4.15Å; L717-M721 WeakPolarHBondContact O-CG 3.45Å; L717-M721 PolarHBondContact O-N 3.22Å; L717-I754 HydrophobicContact CD2-CG2 4.2Å; L717-I758 HydrophobicContact CD2-CD1 3.73Å; L717-I758 HydrophobicContact CG-CD1 4.49Å |
| 718 | A | 94.7 | Very high | 90 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.008 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.8 | -42.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q714 I715 L720 M721 Y722 A777 H780 L781 | Q714-A718 WeakPolarHBondContact O-CB 3.33Å; Q714-A718 PolarHBondContact O-N 3.2Å; I715-A718 PolarHBondContact O-N 3.24Å; A718-L720 VanDerWaalsContact C-N 3.29Å; A718-L720 PolarHBondContact O-N 3.18Å; A718-M721 PolarHBondContact O-N 2.95Å; A718-Y722 VanDerWaalsContact O-CB 3.28Å; A718-Y722 WeakPolarHBondContact O-CB 3.41Å; A718-Y722 PolarHBondContact O-N 3.07Å; A718-A777 HydrophobicContact CB-CB 3.79Å; A718-A777 WeakPolarHBondContact CB-O 3.3Å; A718-H780 HydrophobicContact CB-CB 4.13Å; A718-L781 HydrophobicContact CB-CD2 3.9Å; A718-L781 HydrophobicContact CB-CG 3.92Å |
| 719 | N | 95.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.7 | -35.8 | 173 | -70.2 | 4.7 | 0 | 0 | 0 | 112 | I528 V645 I715 L717 N723 H780 | I528-N719 HydrophobicContact CG2-CB 4.47Å; V645-N719 HydrophobicContact CG1-CB 3.98Å; V645-N719 HydrophobicContact CG2-CB 3.91Å; I715-N719 WeakPolarHBondContact O-CB 3.33Å; I715-N719 PolarHBondContact O-N 3.43Å; I715-N719 PolarHBondContact O-OD1 2.94Å; L717-N719 VanDerWaalsContact C-N 3.31Å; L717-N719 PolarHBondContact O-N 3.11Å; N719-N723 WeakPolarHBondContact O-CB 3.46Å; N719-N723 PolarHBondContact O-N 3.36Å; N719-H780 PolarHBondContact OD1-CE1 3.23Å; N719-H780 PolarHBondContact OD1-ND1 3.35Å |
| 720 | L | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66.1 | -48.6 | 176.1 | -179.3 | 55.7 | 0 | 0 | 0 | 110.9 | L641 L644 V645 L648 L696 A716 L717 A718 Y722 N723 I724 | L641-L720 HydrophobicContact CD2-CD2 3.97Å; L644-L720 HydrophobicContact CB-CD1 3.87Å; L644-L720 HydrophobicContact CB-CD2 4.09Å; L644-L720 HydrophobicContact CD1-CD2 4.06Å; V645-L720 HydrophobicContact CG2-CB 3.8Å; L648-L720 HydrophobicContact CD1-CD1 3.4Å; L696-L720 HydrophobicContact CD1-CD2 3.51Å; A716-L720 PolarHBondContact O-N 2.8Å; L717-L720 HydrophobicContact CD1-CD2 4.32Å; L717-L720 WeakPolarHBondContact O-CB 3.24Å; L717-L720 PolarHBondContact O-N 2.83Å; L717-L720 VanDerWaalsContact O-N 3.11Å; A718-L720 VanDerWaalsContact C-N 3.29Å; A718-L720 PolarHBondContact O-N 3.18Å; L720-Y722 VanDerWaalsContact C-N 3.29Å; L720-Y722 PolarHBondContact O-N 3.18Å; L720-N723 PolarHBondContact O-N 3.15Å; L720-I724 HydrophobicContact CD1-CD1 4.08Å; L720-I724 HydrophobicContact CD1-CG1 4.3Å; L720-I724 HydrophobicContact CG-CD1 4.16Å; L720-I724 VanDerWaalsContact O-CG1 3.3Å; L720-I724 WeakPolarHBondContact O-CG1 3.45Å; L720-I724 PolarHBondContact O-N 3.44Å |
| 721 | M | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61.3 | -39.3 | 176.3 | -65.9 | -56.5 | 97.4 | 0 | 0 | 111.9 | T693 L717 A718 I724 S725 C751 I754 L781 S784 | T693-M721 HydrophobicContact CG2-CE 4.41Å; L717-M721 HydrophobicContact CD1-CE 4.15Å; L717-M721 WeakPolarHBondContact O-CG 3.45Å; L717-M721 PolarHBondContact O-N 3.22Å; A718-M721 PolarHBondContact O-N 2.95Å; M721-I724 HydrophobicContact CE-CD1 3.91Å; M721-S725 WeakPolarHBondContact O-CB 3.39Å; M721-S725 PolarHBondContact O-N 3.5Å; M721-C751 HydrophobicContact SD-CB 4.37Å; M721-I754 HydrophobicContact CE-CD1 4.07Å; M721-I754 HydrophobicContact CG-CG2 4.07Å; M721-I754 HydrophobicContact SD-CB 3.99Å; M721-I754 HydrophobicContact SD-CD1 3.52Å; M721-I754 VanDerWaalsContact SD-CD1 3.52Å; M721-I754 HydrophobicContact SD-CG1 4.34Å; M721-I754 HydrophobicContact SD-CG2 3.98Å; M721-L781 HydrophobicContact CB-CD2 4.37Å; M721-L781 HydrophobicContact CG-CD2 4.42Å; M721-S784 VanDerWaalsContact C-OG 3.3Å; M721-S784 PolarHBondContact O-OG 2.98Å |
| 722 | Y | 96.4 | Very high | 92.9 | Very high | 17 Ų | 17 | 9.4 Ų | 9.4 | 7% | 0.067 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -60 | -54 | 173 | -179.8 | -79 | 0 | 0 | 0 | 111.3 | S524 T526 I528 A718 L720 I724 S725 V726 H780 V783 | S524-Y722 WeakPolarHBondContact CB-OH 3.28Å; S524-Y722 PolarHBondContact OG-OH 2.65Å; T526-Y722 VanDerWaalsContact O-CE1 3.24Å; T526-Y722 WeakPolarHBondContact O-CE1 3.37Å; I528-Y722 HydrophobicContact CD1-CD1 3.48Å; I528-Y722 VanDerWaalsContact CD1-CD1 3.48Å; I528-Y722 HydrophobicContact CD1-CD2 4.16Å; I528-Y722 HydrophobicContact CD1-CE1 3.48Å; I528-Y722 VanDerWaalsContact CD1-CE1 3.48Å; I528-Y722 HydrophobicContact CD1-CE2 4.11Å; I528-Y722 HydrophobicContact CD1-CG 3.83Å; I528-Y722 HydrophobicContact CG1-CD1 3.86Å; I528-Y722 HydrophobicContact CG1-CE1 3.59Å; A718-Y722 VanDerWaalsContact O-CB 3.28Å; A718-Y722 WeakPolarHBondContact O-CB 3.41Å; A718-Y722 PolarHBondContact O-N 3.07Å; L720-Y722 VanDerWaalsContact C-N 3.29Å; L720-Y722 PolarHBondContact O-N 3.18Å; Y722-I724 VanDerWaalsContact C-N 3.31Å; Y722-I724 PolarHBondContact O-N 3.41Å; Y722-S725 WeakPolarHBondContact O-CB 3.37Å; Y722-S725 PolarHBondContact O-N 2.93Å; Y722-S725 PolarHBondContact O-OG 3.4Å; Y722-V726 HydrophobicContact CD1-CG2 3.97Å; Y722-V726 HydrophobicContact CE1-CG2 3.68Å; Y722-V726 WeakPolarHBondContact O-CG2 3.38Å; Y722-V726 PolarHBondContact O-N 3Å; Y722-H780 HydrophobicContact CD2-CB 4.1Å; Y722-V783 HydrophobicContact CD2-CB 3.91Å; Y722-V783 HydrophobicContact CD2-CG1 3.81Å; Y722-V783 HydrophobicContact CE2-CB 3.8Å; Y722-V783 HydrophobicContact CE2-CG1 3.36Å; Y722-V783 HydrophobicContact CE2-CG2 4.45Å |
| 723 | N | 97 | Very high | 93 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.4 | -36.7 | -178.7 | -80.6 | -0.5 | 0 | 0 | 0 | 112.9 | F527 I528 V645 L648 N719 L720 V726 L727 | F527-N723 HydrophobicContact CD1-CB 3.98Å; F527-N723 WeakPolarHBondContact CE1-O 3.24Å; I528-N723 PolarHBondContact N-OD1 3.45Å; I528-N723 PolarHBondContact O-ND2 3.48Å; V645-N723 PolarHBondContact O-ND2 3.2Å; L648-N723 HydrophobicContact CB-CB 3.85Å; L648-N723 HydrophobicContact CD1-CB 3.78Å; L648-N723 HydrophobicContact CG-CB 4.41Å; N719-N723 WeakPolarHBondContact O-CB 3.46Å; N719-N723 PolarHBondContact O-N 3.36Å; L720-N723 PolarHBondContact O-N 3.15Å; N723-V726 PolarHBondContact O-N 2.93Å; N723-L727 PolarHBondContact O-N 3.49Å |
| 724 | I | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.6 | -42.7 | 173.9 | -65.8 | 174.2 | 0 | 0 | 0 | 110.3 | L648 T693 L720 M721 Y722 V726 L727 V728 I747 C751 | L648-I724 HydrophobicContact CD1-CD1 4.45Å; L648-I724 HydrophobicContact CD1-CG1 3.58Å; L648-I724 HydrophobicContact CD2-CG1 4.48Å; T693-I724 HydrophobicContact CG2-CD1 3.46Å; T693-I724 VanDerWaalsContact CG2-CD1 3.46Å; L720-I724 HydrophobicContact CD1-CD1 4.08Å; L720-I724 HydrophobicContact CD1-CG1 4.3Å; L720-I724 HydrophobicContact CG-CD1 4.16Å; L720-I724 VanDerWaalsContact O-CG1 3.3Å; L720-I724 WeakPolarHBondContact O-CG1 3.45Å; L720-I724 PolarHBondContact O-N 3.44Å; M721-I724 HydrophobicContact CE-CD1 3.91Å; Y722-I724 VanDerWaalsContact C-N 3.31Å; Y722-I724 PolarHBondContact O-N 3.41Å; I724-V726 VanDerWaalsContact C-N 3.33Å; I724-V726 PolarHBondContact O-N 3.38Å; I724-L727 PolarHBondContact O-N 3.29Å; I724-V728 WeakPolarHBondContact O-CG2 3.43Å; I724-V728 PolarHBondContact O-N 3.01Å; I724-I747 HydrophobicContact CG2-CG1 3.6Å; I724-I747 HydrophobicContact CG2-CG2 4.05Å; I724-C751 WeakPolarHBondContact CG2-SG 3.3Å |
| 725 | S | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.9 | -39.5 | 176.8 | 76.6 | 0 | 0 | 0 | 0 | 112.6 | M721 Y722 V728 H729 S784 T787 C788 | M721-S725 WeakPolarHBondContact O-CB 3.39Å; M721-S725 PolarHBondContact O-N 3.5Å; Y722-S725 WeakPolarHBondContact O-CB 3.37Å; Y722-S725 PolarHBondContact O-N 2.93Å; Y722-S725 PolarHBondContact O-OG 3.4Å; S725-V728 PolarHBondContact O-N 2.82Å; S725-H729 WeakPolarHBondContact O-CB 3.43Å; S725-H729 PolarHBondContact O-N 3Å; S725-S784 WeakPolarHBondContact OG-CA 3.36Å; S725-T787 WeakPolarHBondContact O-CG2 3.46Å; S725-C788 WeakPolarHBondContact CB-SG 3.5Å |
| 726 | V | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.3 | -44.9 | 174.4 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | F527 Y722 N723 I724 V728 H729 L730 | F527-V726 HydrophobicContact CD1-CB 4.47Å; F527-V726 HydrophobicContact CD1-CG1 4.3Å; F527-V726 HydrophobicContact CD2-CG1 3.97Å; F527-V726 HydrophobicContact CE1-CB 4.33Å; F527-V726 HydrophobicContact CE1-CG1 4.16Å; F527-V726 HydrophobicContact CE2-CG1 3.84Å; F527-V726 HydrophobicContact CG-CG1 4.21Å; F527-V726 HydrophobicContact CZ-CG1 3.94Å; Y722-V726 HydrophobicContact CD1-CG2 3.97Å; Y722-V726 HydrophobicContact CE1-CG2 3.68Å; Y722-V726 WeakPolarHBondContact O-CG2 3.38Å; Y722-V726 PolarHBondContact O-N 3Å; N723-V726 PolarHBondContact O-N 2.93Å; I724-V726 VanDerWaalsContact C-N 3.33Å; I724-V726 PolarHBondContact O-N 3.38Å; V726-V728 VanDerWaalsContact C-N 3.33Å; V726-V728 PolarHBondContact O-N 3.5Å; V726-H729 PolarHBondContact O-N 2.99Å; V726-L730 HydrophobicContact CG1-CD1 3.78Å; V726-L730 HydrophobicContact CG1-CG 4.24Å; V726-L730 WeakPolarHBondContact O-CB 3.49Å; V726-L730 WeakPolarHBondContact O-CG 3.15Å; V726-L730 PolarHBondContact O-N 3.29Å |
| 727 | L | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.5 | -45.5 | 176.5 | 179.7 | 62.8 | 0 | 0 | 0 | 111.5 | F527 L648 I656 L686 V690 N723 I724 S731 L744 | F527-L727 HydrophobicContact CE1-CB 3.99Å; F527-L727 HydrophobicContact CZ-CB 4.05Å; F527-L727 HydrophobicContact CZ-CD1 4.25Å; L648-L727 HydrophobicContact CD2-CB 4.48Å; L648-L727 HydrophobicContact CD2-CD2 3.73Å; I656-L727 HydrophobicContact CD1-CD1 4.27Å; I656-L727 HydrophobicContact CG1-CD1 4.38Å; L686-L727 HydrophobicContact CD1-CD1 4.48Å; V690-L727 HydrophobicContact CG2-CD2 4.35Å; N723-L727 PolarHBondContact O-N 3.49Å; I724-L727 PolarHBondContact O-N 3.29Å; L727-S731 WeakPolarHBondContact O-CB 3.34Å; L727-S731 PolarHBondContact O-N 3.46Å; L727-S731 PolarHBondContact O-OG 2.93Å; L727-L744 HydrophobicContact CD2-CD2 4.18Å; L727-L744 HydrophobicContact CG-CD2 4.43Å |
| 728 | V | 93.4 | Very high | 91 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.018 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.5 | -49.3 | 175.7 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | I724 S725 V726 L730 S731 K732 L744 I747 S748 | I724-V728 WeakPolarHBondContact O-CG2 3.43Å; I724-V728 PolarHBondContact O-N 3.01Å; S725-V728 PolarHBondContact O-N 2.82Å; V726-V728 VanDerWaalsContact C-N 3.33Å; V726-V728 PolarHBondContact O-N 3.5Å; V728-L730 PolarHBondContact O-N 3.39Å; V728-S731 WeakPolarHBondContact O-CB 3.48Å; V728-S731 PolarHBondContact O-N 3.19Å; V728-S731 VanDerWaalsContact O-N 3.15Å; V728-K732 PolarHBondContact O-N 3.02Å; V728-L744 HydrophobicContact CG2-CD2 4.27Å; V728-I747 HydrophobicContact CG2-CG2 3.16Å; V728-S748 WeakPolarHBondContact CG1-OG 3.48Å |
| 729 | H | 93.4 | Very high | 90.1 | Very high | 46 Ų | 46 | 26.9 Ų | 26.9 | 21% | 0.213 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.1 | -49.1 | -177.9 | 179.2 | 59.5 | 0 | 0 | 0 | 112 | P523 S524 S725 V726 S731 K732 P733 T787 S791 | P523-H729 WeakPolarHBondContact CB-CE1 3.24Å; P523-H729 WeakPolarHBondContact CB-NE2 3.47Å; P523-H729 WeakPolarHBondContact CG-CE1 3.2Å; P523-H729 WeakPolarHBondContact CG-NE2 3.43Å; S524-H729 PolarHBondContact O-CD2 3.2Å; S725-H729 WeakPolarHBondContact O-CB 3.43Å; S725-H729 PolarHBondContact O-N 3Å; V726-H729 PolarHBondContact O-N 2.99Å; H729-S731 VanDerWaalsContact C-N 3.27Å; H729-S731 PolarHBondContact O-N 3.38Å; H729-K732 PolarHBondContact O-N 3.04Å; H729-P733 VanDerWaalsContact O-CD 3.24Å; H729-P733 WeakPolarHBondContact O-CD 3.24Å; H729-T787 HydrophobicContact CB-CG2 3.66Å; H729-S791 VanDerWaalsContact CA-OG 3.26Å; H729-S791 WeakPolarHBondContact CA-OG 3.41Å; H729-S791 VanDerWaalsContact CB-OG 3.29Å; H729-S791 WeakPolarHBondContact CB-OG 3.46Å; H729-S791 PolarHBondContact ND1-OG 2.99Å; H729-S791 VanDerWaalsContact ND1-OG 3.11Å |
| 730 | L | 92.8 | Very high | 89.5 | Confident | 28 Ų | 28 | 28.8 Ų | 28.8 | 15% | 0.147 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.5 | -24.8 | 179.3 | -65.7 | 177.6 | 0 | 0 | 0 | 113.3 | D525 F527 I656 V726 V728 | D525-L730 HydrophobicContact CB-CD2 3.99Å; F527-L730 HydrophobicContact CE2-CD1 3.68Å; F527-L730 HydrophobicContact CZ-CD1 4.24Å; I656-L730 HydrophobicContact CD1-CB 3.94Å; I656-L730 HydrophobicContact CG1-CB 4.03Å; I656-L730 HydrophobicContact CG1-CD1 4.46Å; I656-L730 HydrophobicContact CG2-CB 4.28Å; V726-L730 HydrophobicContact CG1-CD1 3.78Å; V726-L730 HydrophobicContact CG1-CG 4.24Å; V726-L730 WeakPolarHBondContact O-CB 3.49Å; V726-L730 WeakPolarHBondContact O-CG 3.15Å; V726-L730 PolarHBondContact O-N 3.29Å; V728-L730 PolarHBondContact O-N 3.39Å |
| 731 | S | 90.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -77.6 | -27.4 | -179.7 | -69.4 | 0 | 0 | 0 | 0 | 113.5 | L727 V728 H729 L734 S735 I736 L744 | L727-S731 WeakPolarHBondContact O-CB 3.34Å; L727-S731 PolarHBondContact O-N 3.46Å; L727-S731 PolarHBondContact O-OG 2.93Å; V728-S731 WeakPolarHBondContact O-CB 3.48Å; V728-S731 PolarHBondContact O-N 3.19Å; V728-S731 VanDerWaalsContact O-N 3.15Å; H729-S731 VanDerWaalsContact C-N 3.27Å; H729-S731 PolarHBondContact O-N 3.38Å; S731-L734 PolarHBondContact O-N 2.97Å; S731-S735 PolarHBondContact O-N 2.67Å; S731-I736 PolarHBondContact O-N 2.97Å; S731-L744 WeakPolarHBondContact OG-CD1 3.45Å |
| 732 | K | 86.5 | Confident | 88.7 | Confident | 48 Ų | 48 | 32.4 Ų | 32.4 | 21% | 0.209 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -47.9 | -171.7 | -172.4 | 131.8 | 176.5 | 179.6 | 0 | 114 | V728 H729 L734 S735 S791 V792 S794 | V728-K732 PolarHBondContact O-N 3.02Å; H729-K732 PolarHBondContact O-N 3.04Å; K732-L734 PolarHBondContact O-N 3.28Å; K732-L734 VanDerWaalsContact O-N 3.08Å; K732-S735 PolarHBondContact O-N 3.03Å; K732-S735 VanDerWaalsContact O-N 3.09Å; K732-S791 WeakPolarHBondContact CD-O 3.36Å; K732-S791 WeakPolarHBondContact CE-O 3.45Å; K732-S791 PolarHBondContact NZ-O 3.21Å; K732-V792 PolarHBondContact NZ-O 3.32Å; K732-S794 WeakPolarHBondContact CE-OG 3.42Å |
| 733 | P | 85.7 | Confident | 88.2 | Confident | 106 Ų | 106 | 36.1 Ų | 36.1 | 69% | 0.688 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -22.7 | 176.5 | -23.1 | 33.9 | 0 | 0 | 0 | 113.8 | H729 | H729-P733 VanDerWaalsContact O-CD 3.24Å; H729-P733 WeakPolarHBondContact O-CD 3.24Å |
| 734 | L | 85.5 | Confident | 87.8 | Confident | 37 Ų | 37 | 36.1 Ų | 36.1 | 19% | 0.194 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 0.9 | -177.2 | -59.8 | 173 | 0 | 0 | 0 | 113 | I656 I659 K660 S731 K732 I736 | I656-L734 HydrophobicContact CD1-CD1 4.37Å; I656-L734 HydrophobicContact CG2-CD1 4.09Å; I659-L734 HydrophobicContact CB-CD1 4.47Å; I659-L734 HydrophobicContact CG2-CB 4.23Å; I659-L734 HydrophobicContact CG2-CD1 4.2Å; K660-L734 HydrophobicContact CG-CD1 3.81Å; K660-L734 HydrophobicContact CG-CD2 3.81Å; K660-L734 HydrophobicContact CG-CG 4.42Å; S731-L734 PolarHBondContact O-N 2.97Å; K732-L734 PolarHBondContact O-N 3.28Å; K732-L734 VanDerWaalsContact O-N 3.08Å; L734-I736 HydrophobicContact CB-CD1 4.02Å; L734-I736 HydrophobicContact CB-CG1 3.8Å; L734-I736 HydrophobicContact CD1-CD1 3.96Å; L734-I736 PolarHBondContact O-N 3.16Å; L734-I736 VanDerWaalsContact O-N 3.13Å |
| 735 | S | 84.6 | Confident | 87.3 | Confident | 60 Ų | 60 | 42.3 Ų | 42.3 | 42% | 0.42 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 32.4 | -176.6 | -61.3 | 0 | 0 | 0 | 0 | 112.9 | S731 K732 E737 S738 N739 | S731-S735 PolarHBondContact O-N 2.67Å; K732-S735 PolarHBondContact O-N 3.03Å; K732-S735 VanDerWaalsContact O-N 3.09Å; S735-E737 VanDerWaalsContact C-N 3.31Å; S735-E737 PolarHBondContact O-N 3.26Å; S735-S738 WeakPolarHBondContact CB-OG 3.36Å; S735-S738 PolarHBondContact O-N 3.06Å; S735-S738 PolarHBondContact O-OG 2.99Å; S735-N739 PolarHBondContact O-N 3.08Å |
| 736 | I | 83.7 | Confident | 86.7 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 179.9 | -71.1 | 176.1 | 0 | 0 | 0 | 110 | F655 I656 I659 S731 L734 S738 N739 I740 F741 L744 | F655-I736 HydrophobicContact CE1-CD1 3.89Å; F655-I736 HydrophobicContact CE1-CG2 3.9Å; F655-I736 HydrophobicContact CZ-CD1 4.3Å; F655-I736 HydrophobicContact CZ-CG2 4.02Å; I656-I736 HydrophobicContact CD1-CD1 3.75Å; I659-I736 HydrophobicContact CB-CD1 4.3Å; I659-I736 HydrophobicContact CG1-CD1 4.17Å; I659-I736 HydrophobicContact CG2-CD1 4.15Å; I659-I736 HydrophobicContact CG2-CG1 4.13Å; S731-I736 PolarHBondContact O-N 2.97Å; L734-I736 HydrophobicContact CB-CD1 4.02Å; L734-I736 HydrophobicContact CB-CG1 3.8Å; L734-I736 HydrophobicContact CD1-CD1 3.96Å; L734-I736 PolarHBondContact O-N 3.16Å; L734-I736 VanDerWaalsContact O-N 3.13Å; I736-S738 PolarHBondContact O-N 3.28Å; I736-N739 PolarHBondContact O-N 3.21Å; I736-I740 HydrophobicContact CG1-CD1 4.42Å; I736-I740 HydrophobicContact CG2-CB 4.15Å; I736-I740 HydrophobicContact CG2-CG2 4.33Å; I736-I740 PolarHBondContact O-N 3.35Å; I736-F741 HydrophobicContact CG2-CB 3.83Å; I736-F741 PolarHBondContact O-N 3.25Å; I736-L744 HydrophobicContact CG2-CD1 4.04Å |
| 737 | E | 79.6 | Confident | 86.4 | Confident | 41 Ų | 41 | 50.2 Ų | 50.2 | 19% | 0.192 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.8 | -20.9 | 179.2 | 69 | -179.6 | 174.9 | 0 | 0 | 113.6 | S735 P742 L744 R745 | S735-E737 VanDerWaalsContact C-N 3.31Å; S735-E737 PolarHBondContact O-N 3.26Å; E737-P742 WeakPolarHBondContact O-CA 3.47Å; E737-L744 HydrophobicContact CB-CB 4.07Å; E737-R745 HydrophobicContact CB-CG 3.89Å; E737-R745 HydrophobicContact CG-CG 4.21Å; E737-R745 PolarHBondContact O-NE 3.1Å; E737-R745 PolarHBondContact O-NH2 3.35Å |
| 738 | S | 77.9 | Confident | 86.2 | Confident | 48 Ų | 48 | 50.4 Ų | 50.4 | 34% | 0.336 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -85.6 | -42.8 | 176.8 | 58.9 | 0 | 0 | 0 | 0 | 111.8 | S735 I736 R745 | S735-S738 WeakPolarHBondContact CB-OG 3.36Å; S735-S738 PolarHBondContact O-N 3.06Å; S735-S738 PolarHBondContact O-OG 2.99Å; I736-S738 PolarHBondContact O-N 3.28Å; S738-R745 PolarHBondContact O-NH2 3.31Å |
| 739 | N | 76.3 | Confident | 85.9 | Confident | 129 Ų | 129 | 51.7 Ų | 51.7 | 69% | 0.69 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -112 | -24.5 | -162.6 | -63.1 | -33.4 | 0 | 0 | 0 | 115 | S735 I736 | S735-N739 PolarHBondContact O-N 3.08Å; I736-N739 PolarHBondContact O-N 3.21Å |
| 740 | I | 83.5 | Confident | 85.7 | Confident | 40 Ų | 40 | 51.1 Ų | 51.1 | 21% | 0.205 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | -46.6 | -165 | -65.9 | 168.9 | 0 | 0 | 0 | 111.8 | F655 I659 N680 P682 I736 | F655-I740 HydrophobicContact CE2-CG2 4.27Å; F655-I740 HydrophobicContact CZ-CG2 3.81Å; I659-I740 HydrophobicContact CD1-CD1 3.76Å; I659-I740 HydrophobicContact CG1-CD1 4.39Å; I659-I740 HydrophobicContact CG2-CD1 4.46Å; N680-I740 HydrophobicContact CB-CD1 4.06Å; N680-I740 HydrophobicContact CB-CG1 4.31Å; N680-I740 WeakPolarHBondContact O-CG2 3.24Å; P682-I740 HydrophobicContact CG-CG2 3.81Å; I736-I740 HydrophobicContact CG1-CD1 4.42Å; I736-I740 HydrophobicContact CG2-CB 4.15Å; I736-I740 HydrophobicContact CG2-CG2 4.33Å; I736-I740 PolarHBondContact O-N 3.35Å |
| 741 | F | 87.1 | Confident | 85.7 | Confident | 8 Ų | 8 | 49.8 Ų | 49.8 | 4% | 0.035 | 27% | 0.268 | C | S | . | . | trans | -135 | 73.1 | -175 | -161.1 | -176.6 | 0 | 0 | 0 | 112 | P682 L686 I687 V690 I736 Q743 L744 | P682-F741 HydrophobicContact CB-CD1 4.03Å; P682-F741 HydrophobicContact CB-CE1 4.35Å; P682-F741 HydrophobicContact CB-CG 4.31Å; P682-F741 HydrophobicContact CG-CB 3.82Å; P682-F741 HydrophobicContact CG-CD1 3.99Å; P682-F741 HydrophobicContact CG-CD2 4.36Å; P682-F741 HydrophobicContact CG-CG 3.81Å; L686-F741 HydrophobicContact CB-CE1 4.15Å; I687-F741 HydrophobicContact CB-CZ 4.44Å; I687-F741 HydrophobicContact CG1-CE2 4.22Å; I687-F741 HydrophobicContact CG1-CZ 4.2Å; V690-F741 HydrophobicContact CB-CZ 3.81Å; V690-F741 HydrophobicContact CG1-CZ 4.18Å; V690-F741 HydrophobicContact CG2-CE1 3.96Å; V690-F741 HydrophobicContact CG2-CZ 3.75Å; I736-F741 HydrophobicContact CG2-CB 3.83Å; I736-F741 PolarHBondContact O-N 3.25Å; F741-Q743 HydrophobicContact CD2-CB 4.16Å; F741-Q743 HydrophobicContact CE2-CB 3.9Å; F741-Q743 HydrophobicContact CE2-CG 4.31Å; F741-Q743 PolarHBondContact O-N 2.91Å; F741-L744 HydrophobicContact CB-CD1 4.09Å; F741-L744 HydrophobicContact CB-CG 4.29Å; F741-L744 HydrophobicContact CD1-CD1 3.81Å; F741-L744 HydrophobicContact CD1-CD2 4.2Å; F741-L744 HydrophobicContact CD1-CG 3.83Å; F741-L744 HydrophobicContact CE1-CD2 4.17Å; F741-L744 HydrophobicContact CE1-CG 4.27Å; F741-L744 HydrophobicContact CG-CD1 4.17Å; F741-L744 HydrophobicContact CG-CG 4.01Å; F741-L744 PolarHBondContact O-N 3.23Å; F741-L744 VanDerWaalsContact O-N 3.15Å | ||
| 742 | P | 87.3 | Confident | 85.7 | Confident | 69 Ų | 69 | 49.7 Ų | 49.7 | 45% | 0.448 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.6 | -171.6 | -25.4 | 35.5 | 0 | 0 | 0 | 116 | E737 L744 R745 | E737-P742 WeakPolarHBondContact O-CA 3.47Å; P742-L744 PolarHBondContact O-N 3.4Å; P742-R745 WeakPolarHBondContact O-CG 3.37Å; P742-R745 PolarHBondContact O-N 3.48Å |
| 743 | Q | 85.7 | Confident | 85.9 | Confident | 95 Ų | 95 | 50.4 Ų | 50.4 | 44% | 0.444 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -24.3 | 178.5 | -65.2 | 177.7 | -2.4 | 0 | 0 | 112.7 | V690 F741 R745 F746 | V690-Q743 HydrophobicContact CG1-CB 4.03Å; F741-Q743 HydrophobicContact CD2-CB 4.16Å; F741-Q743 HydrophobicContact CE2-CB 3.9Å; F741-Q743 HydrophobicContact CE2-CG 4.31Å; F741-Q743 PolarHBondContact O-N 2.91Å; Q743-R745 PolarHBondContact O-N 2.97Å; Q743-F746 PolarHBondContact O-N 2.78Å |
| 744 | L | 88.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.3 | -21.2 | 177.2 | -65.4 | 179.4 | 0 | 0 | 0 | 113.4 | V690 L727 V728 S731 I736 E737 F741 P742 F746 I747 | V690-L744 HydrophobicContact CG2-CD2 3.91Å; L727-L744 HydrophobicContact CD2-CD2 4.18Å; L727-L744 HydrophobicContact CG-CD2 4.43Å; V728-L744 HydrophobicContact CG2-CD2 4.27Å; S731-L744 WeakPolarHBondContact OG-CD1 3.45Å; I736-L744 HydrophobicContact CG2-CD1 4.04Å; E737-L744 HydrophobicContact CB-CB 4.07Å; F741-L744 HydrophobicContact CB-CD1 4.09Å; F741-L744 HydrophobicContact CB-CG 4.29Å; F741-L744 HydrophobicContact CD1-CD1 3.81Å; F741-L744 HydrophobicContact CD1-CD2 4.2Å; F741-L744 HydrophobicContact CD1-CG 3.83Å; F741-L744 HydrophobicContact CE1-CD2 4.17Å; F741-L744 HydrophobicContact CE1-CG 4.27Å; F741-L744 HydrophobicContact CG-CD1 4.17Å; F741-L744 HydrophobicContact CG-CG 4.01Å; F741-L744 PolarHBondContact O-N 3.23Å; F741-L744 VanDerWaalsContact O-N 3.15Å; P742-L744 PolarHBondContact O-N 3.4Å; L744-F746 VanDerWaalsContact C-N 3.28Å; L744-F746 PolarHBondContact O-N 2.99Å; L744-I747 HydrophobicContact CD2-CG2 4.25Å; L744-I747 WeakPolarHBondContact O-CG2 3.21Å |
| 745 | R | 84.2 | Confident | 86.5 | Confident | 130 Ų | 130 | 43.7 Ų | 43.7 | 49% | 0.491 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.7 | -33.4 | -178.9 | -64.7 | -174.1 | -161.2 | 174.7 | 8.1 | 113.4 | E737 S738 P742 Q743 | E737-R745 HydrophobicContact CB-CG 3.89Å; E737-R745 HydrophobicContact CG-CG 4.21Å; E737-R745 PolarHBondContact O-NE 3.1Å; E737-R745 PolarHBondContact O-NH2 3.35Å; S738-R745 PolarHBondContact O-NH2 3.31Å; P742-R745 WeakPolarHBondContact O-CG 3.37Å; P742-R745 PolarHBondContact O-N 3.48Å; Q743-R745 PolarHBondContact O-N 2.97Å |
| 746 | F | 84.1 | Confident | 86.8 | Confident | 158 Ų | 158 | 41 Ų | 41 | 69% | 0.693 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -102 | -15 | -174 | -54 | -73 | 0 | 0 | 0 | 113 | Q743 L744 S748 G749 | Q743-F746 PolarHBondContact O-N 2.78Å; L744-F746 VanDerWaalsContact C-N 3.28Å; L744-F746 PolarHBondContact O-N 2.99Å; F746-S748 VanDerWaalsContact C-N 3.29Å; F746-S748 PolarHBondContact O-N 2.82Å; F746-G749 PolarHBondContact O-N 3.26Å |
| 747 | I | 89.7 | Confident | 87 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.8 | -29.3 | -170.8 | -155.7 | 66 | 0 | 0 | 0 | 112.8 | V690 T693 I724 V728 L744 G749 V750 C751 | V690-I747 HydrophobicContact CG1-CB 4.49Å; V690-I747 HydrophobicContact CG1-CD1 3.84Å; V690-I747 HydrophobicContact CG1-CG1 4.07Å; T693-I747 HydrophobicContact CG2-CD1 3.71Å; T693-I747 HydrophobicContact CG2-CG1 4.47Å; T693-I747 WeakPolarHBondContact OG1-CD1 3.48Å; I724-I747 HydrophobicContact CG2-CG1 3.6Å; I724-I747 HydrophobicContact CG2-CG2 4.05Å; V728-I747 HydrophobicContact CG2-CG2 3.16Å; L744-I747 HydrophobicContact CD2-CG2 4.25Å; L744-I747 WeakPolarHBondContact O-CG2 3.21Å; I747-G749 VanDerWaalsContact C-N 3.33Å; I747-G749 PolarHBondContact O-N 3.01Å; I747-V750 HydrophobicContact CD1-CB 4.4Å; I747-V750 HydrophobicContact CD1-CG1 4.47Å; I747-V750 WeakPolarHBondContact O-CB 3.34Å; I747-V750 PolarHBondContact O-N 3.35Å; I747-V750 VanDerWaalsContact O-N 3.12Å; I747-C751 PolarHBondContact O-N 2.72Å; I747-C751 PolarHBondContact O-SG 2.89Å; I747-C751 VanDerWaalsContact O-SG 3.41Å |
| 748 | S | 89.4 | Confident | 87.4 | Confident | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.3 | -44.5 | 176.8 | -61.7 | 0 | 0 | 0 | 0 | 112.5 | V728 F746 V750 C751 I752 V792 | V728-S748 WeakPolarHBondContact CG1-OG 3.48Å; F746-S748 VanDerWaalsContact C-N 3.29Å; F746-S748 PolarHBondContact O-N 2.82Å; S748-V750 VanDerWaalsContact C-N 3.3Å; S748-V750 PolarHBondContact O-N 2.68Å; S748-C751 PolarHBondContact O-N 3.45Å; S748-I752 WeakPolarHBondContact O-CB 3.48Å; S748-I752 WeakPolarHBondContact O-CD1 3.31Å; S748-I752 WeakPolarHBondContact O-CG1 3.38Å; S748-I752 PolarHBondContact O-N 2.73Å; S748-V792 VanDerWaalsContact CB-CG2 3.42Å; S748-V792 WeakPolarHBondContact OG-CG2 3.43Å |
| 749 | G | 88.3 | Confident | 88.1 | Confident | 31 Ų | 31 | 37.8 Ų | 37.8 | 32% | 0.32 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -65.5 | -35.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | F746 I747 R753 | F746-G749 PolarHBondContact O-N 3.26Å; I747-G749 VanDerWaalsContact C-N 3.33Å; I747-G749 PolarHBondContact O-N 3.01Å; G749-R753 WeakPolarHBondContact O-CB 3.27Å; G749-R753 PolarHBondContact O-N 3.39Å |
| 750 | V | 88.6 | Confident | 88.7 | Confident | 33 Ų | 33 | 33 Ų | 33 | 20% | 0.2 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66 | -48.3 | 175.3 | 169 | 0 | 0 | 0 | 0 | 111.4 | I697 I747 S748 I752 R753 I754 | I697-V750 HydrophobicContact CD1-CB 4.19Å; I697-V750 HydrophobicContact CD1-CG1 3.4Å; I697-V750 HydrophobicContact CD1-CG2 4.04Å; I697-V750 HydrophobicContact CG1-CG1 3.91Å; I747-V750 HydrophobicContact CD1-CB 4.4Å; I747-V750 HydrophobicContact CD1-CG1 4.47Å; I747-V750 WeakPolarHBondContact O-CB 3.34Å; I747-V750 PolarHBondContact O-N 3.35Å; I747-V750 VanDerWaalsContact O-N 3.12Å; S748-V750 VanDerWaalsContact C-N 3.3Å; S748-V750 PolarHBondContact O-N 2.68Å; V750-I752 VanDerWaalsContact C-N 3.32Å; V750-I752 PolarHBondContact O-N 2.78Å; V750-R753 PolarHBondContact O-N 3.03Å; V750-I754 HydrophobicContact CG1-CD1 3.9Å; V750-I754 HydrophobicContact CG1-CG1 4.48Å; V750-I754 WeakPolarHBondContact O-CG1 3.48Å; V750-I754 PolarHBondContact O-N 3.22Å |
| 751 | C | 92 | Very high | 88.7 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.3 | -43.8 | 177.1 | -68.7 | 0 | 0 | 0 | 0 | 111.6 | M721 I724 I747 S748 S755 | M721-C751 HydrophobicContact SD-CB 4.37Å; I724-C751 WeakPolarHBondContact CG2-SG 3.3Å; I747-C751 PolarHBondContact O-N 2.72Å; I747-C751 PolarHBondContact O-SG 2.89Å; I747-C751 VanDerWaalsContact O-SG 3.41Å; S748-C751 PolarHBondContact O-N 3.45Å; C751-S755 VanDerWaalsContact O-CB 3.24Å; C751-S755 WeakPolarHBondContact O-CB 3.31Å; C751-S755 PolarHBondContact O-N 2.74Å; C751-S755 PolarHBondContact O-OG 2.66Å |
| 752 | I | 92.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.7 | -46.8 | 176.1 | -69.6 | 167.6 | 0 | 0 | 0 | 110.5 | S748 V750 S755 L756 C788 L789 I810 L811 A814 | S748-I752 WeakPolarHBondContact O-CB 3.48Å; S748-I752 WeakPolarHBondContact O-CD1 3.31Å; S748-I752 WeakPolarHBondContact O-CG1 3.38Å; S748-I752 PolarHBondContact O-N 2.73Å; V750-I752 VanDerWaalsContact C-N 3.32Å; V750-I752 PolarHBondContact O-N 2.78Å; I752-S755 PolarHBondContact O-N 2.81Å; I752-L756 HydrophobicContact CG2-CD1 3.72Å; I752-L756 HydrophobicContact CG2-CG 4.32Å; I752-L756 WeakPolarHBondContact O-CB 3.02Å; I752-L756 WeakPolarHBondContact O-CG 3.47Å; I752-L756 PolarHBondContact O-N 3.35Å; I752-C788 HydrophobicContact CD1-CB 3.95Å; I752-C788 HydrophobicContact CG1-CB 3.94Å; I752-L789 HydrophobicContact CD1-CD2 3.87Å; I752-L789 HydrophobicContact CD1-CG 4.03Å; I752-I810 HydrophobicContact CD1-CG2 3.77Å; I752-L811 HydrophobicContact CG2-CD2 3.63Å; I752-A814 HydrophobicContact CB-CB 4.28Å; I752-A814 HydrophobicContact CG2-CB 3.6Å |
| 753 | R | 89.5 | Confident | 88.3 | Confident | 63 Ų | 63 | 32 Ų | 32 | 24% | 0.238 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.4 | -49 | 179.8 | -178.5 | 178.6 | -61.5 | -89.8 | 2.4 | 112.7 | G749 V750 S755 L756 N757 S813 A814 I816 | G749-R753 WeakPolarHBondContact O-CB 3.27Å; G749-R753 PolarHBondContact O-N 3.39Å; V750-R753 PolarHBondContact O-N 3.03Å; R753-S755 VanDerWaalsContact C-N 3.3Å; R753-S755 PolarHBondContact O-N 3.2Å; R753-L756 PolarHBondContact O-N 3.5Å; R753-N757 WeakPolarHBondContact O-CB 2.99Å; R753-N757 PolarHBondContact O-N 2.84Å; R753-S813 PolarHBondContact NH2-O 3.35Å; R753-A814 HydrophobicContact CB-CB 4.25Å; R753-A814 WeakPolarHBondContact CG-O 3.01Å; R753-A814 PolarHBondContact NE-O 3.38Å; R753-A814 PolarHBondContact NH1-O 2.94Å; R753-I816 PolarHBondContact NH1-O 3.18Å; R753-I816 PolarHBondContact NH2-O 3.14Å |
| 754 | I | 89.9 | Confident | 87.7 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.2 | -46.5 | 177.1 | -66.5 | 169.8 | 0 | 0 | 0 | 109.7 | I697 V700 L717 M721 V750 N757 I758 | I697-I754 HydrophobicContact CB-CG1 4.4Å; I697-I754 HydrophobicContact CG1-CD1 3.61Å; I697-I754 HydrophobicContact CG1-CG1 3.49Å; I697-I754 VanDerWaalsContact CG1-CG1 3.49Å; V700-I754 HydrophobicContact CG2-CG2 4.48Å; L717-I754 HydrophobicContact CD2-CG2 4.2Å; M721-I754 HydrophobicContact CE-CD1 4.07Å; M721-I754 HydrophobicContact CG-CG2 4.07Å; M721-I754 HydrophobicContact SD-CB 3.99Å; M721-I754 HydrophobicContact SD-CD1 3.52Å; M721-I754 VanDerWaalsContact SD-CD1 3.52Å; M721-I754 HydrophobicContact SD-CG1 4.34Å; M721-I754 HydrophobicContact SD-CG2 3.98Å; V750-I754 HydrophobicContact CG1-CD1 3.9Å; V750-I754 HydrophobicContact CG1-CG1 4.48Å; V750-I754 WeakPolarHBondContact O-CG1 3.48Å; V750-I754 PolarHBondContact O-N 3.22Å; I754-N757 PolarHBondContact O-N 3.35Å; I754-I758 HydrophobicContact CG2-CD1 3.72Å; I754-I758 WeakPolarHBondContact O-CG1 3.36Å; I754-I758 PolarHBondContact O-N 3.44Å |
| 755 | S | 93.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.7 | -45.9 | -177.1 | -58.5 | 0 | 0 | 0 | 0 | 112 | C751 I752 R753 I758 L759 | C751-S755 VanDerWaalsContact O-CB 3.24Å; C751-S755 WeakPolarHBondContact O-CB 3.31Å; C751-S755 PolarHBondContact O-N 2.74Å; C751-S755 PolarHBondContact O-OG 2.66Å; I752-S755 PolarHBondContact O-N 2.81Å; R753-S755 VanDerWaalsContact C-N 3.3Å; R753-S755 PolarHBondContact O-N 3.2Å; S755-I758 PolarHBondContact O-N 3.18Å; S755-L759 WeakPolarHBondContact O-CB 3.39Å; S755-L759 WeakPolarHBondContact O-CG 3.47Å; S755-L759 PolarHBondContact O-N 2.85Å |
| 756 | L | 91.5 | Very high | 86 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.4 | -39.2 | 177 | -72.4 | 172.7 | 0 | 0 | 0 | 112.4 | I752 R753 L759 S760 I785 L811 M815 V844 | I752-L756 HydrophobicContact CG2-CD1 3.72Å; I752-L756 HydrophobicContact CG2-CG 4.32Å; I752-L756 WeakPolarHBondContact O-CB 3.02Å; I752-L756 WeakPolarHBondContact O-CG 3.47Å; I752-L756 PolarHBondContact O-N 3.35Å; R753-L756 PolarHBondContact O-N 3.5Å; L756-L759 PolarHBondContact O-N 2.91Å; L756-S760 VanDerWaalsContact O-CB 3.31Å; L756-S760 WeakPolarHBondContact O-CB 3.24Å; L756-S760 PolarHBondContact O-N 3.22Å; L756-I785 HydrophobicContact CD2-CD1 3.96Å; L756-I785 HydrophobicContact CG-CD1 4.15Å; L756-L811 HydrophobicContact CD1-CD2 3.96Å; L756-M815 HydrophobicContact CB-SD 3.75Å; L756-M815 HydrophobicContact CD1-CG 4Å; L756-M815 HydrophobicContact CD1-SD 3.79Å; L756-M815 HydrophobicContact CG-SD 4.32Å; L756-V844 HydrophobicContact CD1-CG2 4.03Å; L756-V844 HydrophobicContact CD2-CG1 4.07Å |
| 757 | N | 87.5 | Confident | 85.2 | Confident | 19 Ų | 19 | 30.5 Ų | 30.5 | 10% | 0.102 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60 | -49.5 | 176.5 | -169.2 | -4.5 | 0 | 0 | 0 | 110.5 | N701 R753 I754 L759 S760 L761 L818 | N701-N757 PolarHBondContact OD1-ND2 2.91Å; R753-N757 WeakPolarHBondContact O-CB 2.99Å; R753-N757 PolarHBondContact O-N 2.84Å; I754-N757 PolarHBondContact O-N 3.35Å; N757-L759 PolarHBondContact O-N 3.46Å; N757-S760 WeakPolarHBondContact O-CB 3.43Å; N757-S760 PolarHBondContact O-N 3.44Å; N757-S760 VanDerWaalsContact O-N 3.13Å; N757-S760 PolarHBondContact O-OG 3.41Å; N757-L761 PolarHBondContact O-N 3.25Å; N757-L818 HydrophobicContact CB-CD2 4.05Å |
| 758 | I | 89.1 | Confident | 84.2 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.5 | -45.2 | 178.7 | -62.8 | 163.2 | 0 | 0 | 0 | 111.4 | V700 F707 L717 I754 S755 S760 L761 L773 L781 | V700-I758 HydrophobicContact CG1-CG1 3.95Å; F707-I758 HydrophobicContact CD1-CD1 4.09Å; F707-I758 HydrophobicContact CD1-CG1 4.05Å; F707-I758 HydrophobicContact CD1-CG2 3.94Å; F707-I758 HydrophobicContact CE1-CD1 3.74Å; F707-I758 HydrophobicContact CE1-CG1 4.23Å; F707-I758 HydrophobicContact CE1-CG2 4.27Å; F707-I758 HydrophobicContact CZ-CD1 4.43Å; L717-I758 HydrophobicContact CD2-CD1 3.73Å; L717-I758 HydrophobicContact CG-CD1 4.49Å; I754-I758 HydrophobicContact CG2-CD1 3.72Å; I754-I758 WeakPolarHBondContact O-CG1 3.36Å; I754-I758 PolarHBondContact O-N 3.44Å; S755-I758 PolarHBondContact O-N 3.18Å; I758-S760 PolarHBondContact O-N 2.96Å; I758-L761 WeakPolarHBondContact O-CB 3.46Å; I758-L761 PolarHBondContact O-N 3.09Å; I758-L773 HydrophobicContact CG2-CD1 4.17Å; I758-L773 HydrophobicContact CG2-CD2 3.97Å; I758-L773 WeakPolarHBondContact O-CD1 3.44Å; I758-L781 HydrophobicContact CB-CD1 3.82Å; I758-L781 HydrophobicContact CD1-CD1 4.31Å; I758-L781 HydrophobicContact CD1-CD2 4.37Å; I758-L781 HydrophobicContact CG2-CD1 3.56Å |
| 759 | L | 91.4 | Very high | 83.3 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.3 | -27.9 | 178 | -70.8 | 171 | 0 | 0 | 0 | 112.7 | S755 L756 N757 L761 V778 L781 F782 I785 I847 W851 | S755-L759 WeakPolarHBondContact O-CB 3.39Å; S755-L759 WeakPolarHBondContact O-CG 3.47Å; S755-L759 PolarHBondContact O-N 2.85Å; L756-L759 PolarHBondContact O-N 2.91Å; N757-L759 PolarHBondContact O-N 3.46Å; L759-L761 VanDerWaalsContact C-N 3.34Å; L759-V778 HydrophobicContact CD2-CB 4.4Å; L759-V778 HydrophobicContact CD2-CG1 3.67Å; L759-L781 HydrophobicContact CD1-CB 4.3Å; L759-L781 HydrophobicContact CD2-CB 4.37Å; L759-L781 HydrophobicContact CD2-CD1 4.27Å; L759-L781 HydrophobicContact CG-CB 4.29Å; L759-L781 HydrophobicContact CG-CD1 4.18Å; L759-F782 HydrophobicContact CD1-CD1 4.13Å; L759-F782 HydrophobicContact CD1-CE1 3.87Å; L759-F782 HydrophobicContact CD1-CE2 4.3Å; L759-F782 HydrophobicContact CD1-CG 4.46Å; L759-F782 HydrophobicContact CD1-CZ 3.95Å; L759-F782 HydrophobicContact CD2-CD2 4.32Å; L759-F782 HydrophobicContact CD2-CE2 3.86Å; L759-F782 HydrophobicContact CD2-CZ 4.14Å; L759-I785 HydrophobicContact CD1-CD1 3.68Å; L759-I847 HydrophobicContact CB-CG2 3.84Å; L759-W851 HydrophobicContact CD2-CZ2 4.25Å; L759-W851 PolarHBondContact O-NE1 3.12Å |
| 760 | S | 89 | Confident | 82.9 | Confident | 29 Ų | 29 | 32.5 Ų | 32.5 | 20% | 0.203 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.6 | -26.5 | 179.1 | 78.6 | 0 | 0 | 0 | 0 | 113.3 | L756 N757 I758 A762 L763 | L756-S760 VanDerWaalsContact O-CB 3.31Å; L756-S760 WeakPolarHBondContact O-CB 3.24Å; L756-S760 PolarHBondContact O-N 3.22Å; N757-S760 WeakPolarHBondContact O-CB 3.43Å; N757-S760 PolarHBondContact O-N 3.44Å; N757-S760 VanDerWaalsContact O-N 3.13Å; N757-S760 PolarHBondContact O-OG 3.41Å; I758-S760 PolarHBondContact O-N 2.96Å; S760-A762 PolarHBondContact O-N 3.47Å; S760-A762 VanDerWaalsContact O-N 3.08Å; S760-L763 WeakPolarHBondContact O-CB 3.38Å; S760-L763 PolarHBondContact O-N 2.91Å |
| 761 | L | 84.5 | Confident | 82.2 | Confident | 56 Ų | 56 | 34.3 Ų | 34.3 | 29% | 0.293 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -24.3 | -179.7 | -62.4 | 174.8 | 0 | 0 | 0 | 113.5 | F707 N757 I758 L759 | F707-L761 HydrophobicContact CB-CD1 4.4Å; N757-L761 PolarHBondContact O-N 3.25Å; I758-L761 WeakPolarHBondContact O-CB 3.46Å; I758-L761 PolarHBondContact O-N 3.09Å; L759-L761 VanDerWaalsContact C-N 3.34Å |
| 762 | A | 82.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -24.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S760 D764 H765 G769 Y850 W851 | S760-A762 PolarHBondContact O-N 3.47Å; S760-A762 VanDerWaalsContact O-N 3.08Å; A762-D764 PolarHBondContact O-N 2.82Å; A762-H765 PolarHBondContact O-N 3.46Å; A762-G769 WeakPolarHBondContact CB-O 3.35Å; A762-G769 WeakPolarHBondContact O-CA 3.34Å; A762-Y850 HydrophobicContact CB-CE1 3.66Å; A762-Y850 PolarHBondContact O-OH 2.81Å; A762-W851 HydrophobicContact CB-CH2 3.96Å; A762-W851 HydrophobicContact CB-CZ2 3.41Å; A762-W851 VanDerWaalsContact CB-CZ2 3.41Å |
| 763 | L | 83 | Confident | 81.1 | Confident | 41 Ų | 41 | 37.9 Ų | 37.9 | 22% | 0.215 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -66.3 | -28.6 | -172.4 | -84.3 | 63.3 | 0 | 0 | 0 | 112.4 | S760 H765 K846 I847 Y850 | S760-L763 WeakPolarHBondContact O-CB 3.38Å; S760-L763 PolarHBondContact O-N 2.91Å; L763-H765 PolarHBondContact O-N 2.9Å; L763-K846 HydrophobicContact CD2-CD 4.47Å; L763-K846 HydrophobicContact CD2-CG 4.27Å; L763-I847 HydrophobicContact CD1-CB 4.45Å; L763-I847 HydrophobicContact CD1-CG1 4.17Å; L763-I847 HydrophobicContact CD1-CG2 4.32Å; L763-I847 HydrophobicContact CD2-CB 4.46Å; L763-I847 HydrophobicContact CD2-CG1 3.68Å; L763-Y850 HydrophobicContact CD1-CD1 3.7Å; L763-Y850 HydrophobicContact CD1-CD2 4.47Å; L763-Y850 HydrophobicContact CD1-CE1 4.29Å; L763-Y850 HydrophobicContact CD1-CG 3.82Å; L763-Y850 HydrophobicContact CG-CD1 4.38Å; L763-Y850 HydrophobicContact CG-CD2 4.29Å; L763-Y850 HydrophobicContact CG-CG 4.03Å |
| 764 | D | 72.5 | Confident | 80.8 | Confident | 138 Ų | 138 | 37 Ų | 37 | 74% | 0.738 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -72.2 | -8.5 | -175.8 | -64.5 | -24.5 | 0 | 0 | 0 | 113.5 | A762 | A762-D764 PolarHBondContact O-N 2.82Š|
| 765 | H | 67.9 | Low | 80.7 | Confident | 94 Ų | 94 | 40 Ų | 40 | 44% | 0.435 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -118.4 | 17.5 | -172.8 | -61.3 | -63.3 | 0 | 0 | 0 | 114.1 | A762 L763 S768 G769 | A762-H765 PolarHBondContact O-N 3.46Å; L763-H765 PolarHBondContact O-N 2.9Å; H765-S768 PolarHBondContact O-N 3.26Å; H765-S768 PolarHBondContact O-OG 3.4Å; H765-G769 PolarHBondContact O-N 3.25Å |
| 766 | G | 68.9 | Low | 80.3 | Confident | 41 Ų | 41 | 42.3 Ų | 42.3 | 42% | 0.423 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | 56.4 | -144.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S768 G769 Y850 | G766-S768 PolarHBondContact O-N 3.32Å; G766-S768 VanDerWaalsContact O-N 3.17Å; G766-G769 PolarHBondContact O-N 3.09Å; G766-G769 VanDerWaalsContact O-N 3.14Å; G766-Y850 VanDerWaalsContact O-CE2 3.3Å; G766-Y850 WeakPolarHBondContact O-CE2 3.42Å; G766-Y850 PolarHBondContact O-OH 3.28Å |
| 767 | C | 68 | Low | 80.3 | Confident | 77 Ų | 77 | 42.3 Ų | 42.3 | 52% | 0.52 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -64 | -20.7 | 180 | -58.8 | 0 | 0 | 0 | 0 | 114.2 | G769 T854 T856 | C767-G769 VanDerWaalsContact C-N 3.34Å; C767-T854 HydrophobicContact CB-CG2 4.03Å; C767-T856 PolarHBondContact O-OG1 3.4Å; C767-T856 VanDerWaalsContact O-OG1 3.13Å |
| 768 | S | 68.7 | Low | 80.6 | Confident | 69 Ų | 69 | 41.4 Ų | 41.4 | 48% | 0.483 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -77.8 | -18.2 | 177.9 | 74.2 | 0 | 0 | 0 | 0 | 113.1 | H765 G766 V770 T771 | H765-S768 PolarHBondContact O-N 3.26Å; H765-S768 PolarHBondContact O-OG 3.4Å; G766-S768 PolarHBondContact O-N 3.32Å; G766-S768 VanDerWaalsContact O-N 3.17Å; S768-V770 PolarHBondContact O-N 2.85Å; S768-T771 PolarHBondContact O-N 3.28Å; S768-T771 PolarHBondContact O-OG1 3.13Å |
| 769 | G | 71 | Confident | 80.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -60.8 | -27.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A762 H765 G766 C767 T771 Q772 Y850 | A762-G769 WeakPolarHBondContact CB-O 3.35Å; A762-G769 WeakPolarHBondContact O-CA 3.34Å; H765-G769 PolarHBondContact O-N 3.25Å; G766-G769 PolarHBondContact O-N 3.09Å; G766-G769 VanDerWaalsContact O-N 3.14Å; C767-G769 VanDerWaalsContact C-N 3.34Å; G769-T771 PolarHBondContact O-N 3.35Å; G769-Q772 VanDerWaalsContact O-CB 3.27Å; G769-Q772 WeakPolarHBondContact O-CB 3.24Å; G769-Q772 PolarHBondContact O-N 3.22Å; G769-Y850 WeakPolarHBondContact CA-OH 3.38Å |
| 770 | V | 78.4 | Confident | 80.9 | Confident | 16 Ų | 16 | 43 Ų | 43 | 10% | 0.097 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -55.1 | -36.1 | 173 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | S768 Q772 L773 Y850 W851 T854 V857 | S768-V770 PolarHBondContact O-N 2.85Å; V770-Q772 PolarHBondContact O-N 3.19Å; V770-L773 PolarHBondContact O-N 3.29Å; V770-Y850 HydrophobicContact CG2-CE1 4.02Å; V770-Y850 PolarHBondContact N-OH 3.14Å; V770-Y850 VanDerWaalsContact N-OH 3.17Å; V770-W851 HydrophobicContact CB-CZ3 4.29Å; V770-W851 HydrophobicContact CG1-CZ3 3.95Å; V770-W851 HydrophobicContact CG2-CZ3 4.19Å; V770-T854 HydrophobicContact CG2-CG2 3.57Å; V770-V857 HydrophobicContact CB-CG2 4.31Å; V770-V857 HydrophobicContact CG1-CB 4.44Å; V770-V857 HydrophobicContact CG1-CG2 3.79Å; V770-V857 HydrophobicContact CG2-CG2 3.47Å; V770-V857 VanDerWaalsContact CG2-CG2 3.47Å |
| 771 | T | 75.9 | Confident | 81.3 | Confident | 71 Ų | 71 | 41.7 Ų | 41.7 | 44% | 0.436 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -76.4 | -12.4 | -178.7 | 72 | 0 | 0 | 0 | 0 | 112.7 | K711 S768 G769 L773 | K711-T771 PolarHBondContact NZ-O 3.08Å; S768-T771 PolarHBondContact O-N 3.28Å; S768-T771 PolarHBondContact O-OG1 3.13Å; G769-T771 PolarHBondContact O-N 3.35Å; T771-L773 VanDerWaalsContact C-N 3.33Å |
| 772 | Q | 76.6 | Confident | 81.8 | Confident | 68 Ų | 68 | 39.1 Ų | 39.1 | 32% | 0.318 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -74 | -22.6 | 176.4 | -61.2 | -62.7 | -24 | 0 | 0 | 112.6 | K711 Q714 G769 V770 | K711-Q772 PolarHBondContact NZ-O 2.93Å; Q714-Q772 PolarHBondContact NE2-O 3.19Å; G769-Q772 VanDerWaalsContact O-CB 3.27Å; G769-Q772 WeakPolarHBondContact O-CB 3.24Å; G769-Q772 PolarHBondContact O-N 3.22Å; V770-Q772 PolarHBondContact O-N 3.19Å |
| 773 | L | 83.4 | Confident | 82.4 | Confident | 6 Ų | 6 | 39.4 Ų | 39.4 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -112.4 | 144.8 | 176 | -60.4 | 178.5 | 0 | 0 | 0 | 111.7 | Q714 I758 V770 T771 V778 W851 | Q714-L773 HydrophobicContact CG-CD2 4.49Å; I758-L773 HydrophobicContact CG2-CD1 4.17Å; I758-L773 HydrophobicContact CG2-CD2 3.97Å; I758-L773 WeakPolarHBondContact O-CD1 3.44Å; V770-L773 PolarHBondContact O-N 3.29Å; T771-L773 VanDerWaalsContact C-N 3.33Å; L773-V778 HydrophobicContact CB-CG2 3.43Å; L773-V778 VanDerWaalsContact CB-CG2 3.43Å; L773-V778 HydrophobicContact CD1-CG2 3.95Å; L773-V778 HydrophobicContact CG-CG2 4.36Å; L773-W851 HydrophobicContact CB-CH2 4.23Å; L773-W851 HydrophobicContact CD1-CH2 3.97Å; L773-W851 HydrophobicContact CD1-CZ2 3.71Å |
| 774 | H | 84.6 | Confident | 83 | Confident | 44 Ų | 44 | 37.4 Ų | 37.4 | 20% | 0.204 | 22% | 0.219 | C | C | . | . | trans | -70.2 | 128.9 | 174.9 | -168.6 | -88.5 | 0 | 0 | 0 | 109.6 | K711 I715 E776 A777 V778 | K711-H774 HydrophobicContact CD-CB 4.35Å; I715-H774 HydrophobicContact CD1-CB 4.41Å; I715-H774 HydrophobicContact CG1-CB 4.12Å; H774-E776 VanDerWaalsContact C-N 3.28Å; H774-E776 IonicContact CE1-OE2 3.86Å; H774-E776 WeakPolarHBondContact ND1-CB 3.48Å; H774-E776 PolarHBondContact ND1-N 3.1Å; H774-E776 PolarHBondContact O-N 3.35Å; H774-E776 VanDerWaalsContact O-N 3.16Å; H774-A777 HydrophobicContact CB-CB 4.15Å; H774-A777 WeakPolarHBondContact O-CA 3.22Å; H774-A777 WeakPolarHBondContact O-CB 3.34Å; H774-A777 PolarHBondContact O-N 2.96Å; H774-V778 PolarHBondContact O-N 3.4Å | ||
| 775 | P | 86.2 | Confident | 84.1 | Confident | 67 Ų | 67 | 30.9 Ų | 30.9 | 44% | 0.435 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -49.7 | -43.7 | -177.5 | -33.6 | 38.2 | 0 | 0 | 0 | 114.8 | A777 V778 N779 V861 | P775-A777 PolarHBondContact O-N 3.01Å; P775-V778 PolarHBondContact O-N 3.37Å; P775-N779 WeakPolarHBondContact O-CB 3.34Å; P775-N779 PolarHBondContact O-N 3.41Å; P775-V861 WeakPolarHBondContact O-CG2 3.44Å |
| 776 | E | 86.2 | Confident | 85.3 | Confident | 47 Ų | 47 | 26.5 Ų | 26.5 | 22% | 0.22 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.6 | -38.9 | 177.8 | -169.9 | 177.8 | 179 | 0 | 0 | 112.6 | S505 H774 N779 H780 | S505-E776 VanDerWaalsContact CB-OE1 3.23Å; S505-E776 WeakPolarHBondContact CB-OE1 3.41Å; S505-E776 PolarHBondContact OG-OE1 3.22Å; H774-E776 VanDerWaalsContact C-N 3.28Å; H774-E776 IonicContact CE1-OE2 3.86Å; H774-E776 WeakPolarHBondContact ND1-CB 3.48Å; H774-E776 PolarHBondContact ND1-N 3.1Å; H774-E776 PolarHBondContact O-N 3.35Å; H774-E776 VanDerWaalsContact O-N 3.16Å; E776-N779 PolarHBondContact O-N 3.09Å; E776-H780 PolarHBondContact O-N 3.01Å; E776-H780 PolarHBondContact O-ND1 3.47Å; E776-H780 IonicContact OE1-CE1 2.78Å |
| 777 | A | 91.4 | Very high | 86.6 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.5 | -45.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q714 I715 A718 H774 P775 N779 H780 L781 | Q714-A777 HydrophobicContact CB-CB 4.06Å; I715-A777 HydrophobicContact CG1-CB 4.33Å; A718-A777 HydrophobicContact CB-CB 3.79Å; A718-A777 WeakPolarHBondContact CB-O 3.3Å; H774-A777 HydrophobicContact CB-CB 4.15Å; H774-A777 WeakPolarHBondContact O-CA 3.22Å; H774-A777 WeakPolarHBondContact O-CB 3.34Å; H774-A777 PolarHBondContact O-N 2.96Å; P775-A777 PolarHBondContact O-N 3.01Å; A777-N779 VanDerWaalsContact C-N 3.34Å; A777-N779 PolarHBondContact O-N 2.98Å; A777-H780 PolarHBondContact O-N 2.8Å; A777-L781 VanDerWaalsContact O-CG 3.28Å; A777-L781 WeakPolarHBondContact O-CG 3.37Å; A777-L781 PolarHBondContact O-N 3.17Å |
| 778 | V | 93.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58 | -46.7 | 176.4 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | L759 L773 H774 P775 H780 L781 F782 W851 V861 | L759-V778 HydrophobicContact CD2-CB 4.4Å; L759-V778 HydrophobicContact CD2-CG1 3.67Å; L773-V778 HydrophobicContact CB-CG2 3.43Å; L773-V778 VanDerWaalsContact CB-CG2 3.43Å; L773-V778 HydrophobicContact CD1-CG2 3.95Å; L773-V778 HydrophobicContact CG-CG2 4.36Å; H774-V778 PolarHBondContact O-N 3.4Å; P775-V778 PolarHBondContact O-N 3.37Å; V778-H780 PolarHBondContact O-N 3.46Å; V778-L781 PolarHBondContact O-N 2.82Å; V778-F782 HydrophobicContact CG1-CD2 3.83Å; V778-F782 HydrophobicContact CG1-CE2 3.63Å; V778-F782 VanDerWaalsContact O-CD2 3.32Å; V778-F782 WeakPolarHBondContact O-CD2 3.29Å; V778-F782 PolarHBondContact O-N 3.07Å; V778-W851 HydrophobicContact CB-CH2 4.47Å; V778-W851 HydrophobicContact CB-CZ3 4.36Å; V778-W851 HydrophobicContact CG1-CD2 4.02Å; V778-W851 HydrophobicContact CG1-CE3 3.72Å; V778-W851 HydrophobicContact CG1-CH2 3.99Å; V778-W851 HydrophobicContact CG1-CZ2 4.26Å; V778-W851 HydrophobicContact CG1-CZ3 3.69Å; V778-W851 HydrophobicContact CG2-CH2 3.61Å; V778-W851 HydrophobicContact CG2-CZ2 4.21Å; V778-W851 HydrophobicContact CG2-CZ3 3.88Å; V778-V861 HydrophobicContact CB-CG1 4.43Å; V778-V861 HydrophobicContact CB-CG2 4.2Å; V778-V861 HydrophobicContact CG1-CB 4.47Å; V778-V861 HydrophobicContact CG1-CG1 3.48Å; V778-V861 VanDerWaalsContact CG1-CG1 3.48Å; V778-V861 HydrophobicContact CG1-CG2 4.09Å |
| 779 | N | 93 | Very high | 88.9 | Confident | 23 Ų | 23 | 17.6 Ų | 17.6 | 12% | 0.123 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.4 | -46.8 | 177.1 | -173.2 | 60.8 | 0 | 0 | 0 | 111.7 | P775 E776 A777 L781 F782 V783 V861 | P775-N779 WeakPolarHBondContact O-CB 3.34Å; P775-N779 PolarHBondContact O-N 3.41Å; E776-N779 PolarHBondContact O-N 3.09Å; A777-N779 VanDerWaalsContact C-N 3.34Å; A777-N779 PolarHBondContact O-N 2.98Å; N779-L781 PolarHBondContact O-N 3.4Å; N779-F782 PolarHBondContact O-N 3.4Å; N779-V783 WeakPolarHBondContact O-CG2 3.32Å; N779-V783 PolarHBondContact O-N 3.36Å; N779-V861 HydrophobicContact CB-CG2 3.87Å |
| 780 | H | 94.5 | Very high | 89.8 | Confident | 12 Ų | 12 | 19.3 Ų | 19.3 | 6% | 0.056 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.7 | -33.3 | 178.9 | -67.4 | 162.4 | 0 | 0 | 0 | 113.6 | I528 A718 N719 Y722 E776 A777 V778 V783 S784 | I528-H780 VanDerWaalsContact CD1-CE1 3.46Å; I528-H780 WeakPolarHBondContact CD1-CE1 3.26Å; A718-H780 HydrophobicContact CB-CB 4.13Å; N719-H780 PolarHBondContact OD1-CE1 3.23Å; N719-H780 PolarHBondContact OD1-ND1 3.35Å; Y722-H780 HydrophobicContact CD2-CB 4.1Å; E776-H780 PolarHBondContact O-N 3.01Å; E776-H780 PolarHBondContact O-ND1 3.47Å; E776-H780 IonicContact OE1-CE1 2.78Å; A777-H780 PolarHBondContact O-N 2.8Å; V778-H780 PolarHBondContact O-N 3.46Å; H780-V783 PolarHBondContact O-N 2.87Å; H780-S784 WeakPolarHBondContact O-CB 3.26Å; H780-S784 PolarHBondContact O-N 3.42Å |
| 781 | L | 95.5 | Very high | 90.2 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.016 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.1 | -43.5 | 172.4 | -67 | 177.2 | 0 | 0 | 0 | 111.5 | A718 M721 I758 L759 A777 V778 N779 S784 I785 | A718-L781 HydrophobicContact CB-CD2 3.9Å; A718-L781 HydrophobicContact CB-CG 3.92Å; M721-L781 HydrophobicContact CB-CD2 4.37Å; M721-L781 HydrophobicContact CG-CD2 4.42Å; I758-L781 HydrophobicContact CB-CD1 3.82Å; I758-L781 HydrophobicContact CD1-CD1 4.31Å; I758-L781 HydrophobicContact CD1-CD2 4.37Å; I758-L781 HydrophobicContact CG2-CD1 3.56Å; L759-L781 HydrophobicContact CD1-CB 4.3Å; L759-L781 HydrophobicContact CD2-CB 4.37Å; L759-L781 HydrophobicContact CD2-CD1 4.27Å; L759-L781 HydrophobicContact CG-CB 4.29Å; L759-L781 HydrophobicContact CG-CD1 4.18Å; A777-L781 VanDerWaalsContact O-CG 3.28Å; A777-L781 WeakPolarHBondContact O-CG 3.37Å; A777-L781 PolarHBondContact O-N 3.17Å; V778-L781 PolarHBondContact O-N 2.82Å; N779-L781 PolarHBondContact O-N 3.4Å; L781-S784 WeakPolarHBondContact O-CB 3.32Å; L781-S784 PolarHBondContact O-N 3.25Å; L781-I785 WeakPolarHBondContact O-CG1 3.41Å; L781-I785 PolarHBondContact O-N 3.08Å |
| 782 | F | 95.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 0% | 0.004 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.3 | -43 | 174.6 | -81.3 | -62.6 | 0 | 0 | 0 | 112.5 | L759 V778 N779 S784 I785 G786 I848 W851 V861 C864 A865 L868 | L759-F782 HydrophobicContact CD1-CD1 4.13Å; L759-F782 HydrophobicContact CD1-CE1 3.87Å; L759-F782 HydrophobicContact CD1-CE2 4.3Å; L759-F782 HydrophobicContact CD1-CG 4.46Å; L759-F782 HydrophobicContact CD1-CZ 3.95Å; L759-F782 HydrophobicContact CD2-CD2 4.32Å; L759-F782 HydrophobicContact CD2-CE2 3.86Å; L759-F782 HydrophobicContact CD2-CZ 4.14Å; V778-F782 HydrophobicContact CG1-CD2 3.83Å; V778-F782 HydrophobicContact CG1-CE2 3.63Å; V778-F782 VanDerWaalsContact O-CD2 3.32Å; V778-F782 WeakPolarHBondContact O-CD2 3.29Å; V778-F782 PolarHBondContact O-N 3.07Å; N779-F782 PolarHBondContact O-N 3.4Å; F782-S784 VanDerWaalsContact C-N 3.3Å; F782-S784 PolarHBondContact O-N 2.82Å; F782-I785 PolarHBondContact O-N 3.24Å; F782-G786 PolarHBondContact O-N 3.35Å; F782-I848 HydrophobicContact CE1-CG1 4.4Å; F782-W851 HydrophobicContact CE2-CB 3.88Å; F782-W851 HydrophobicContact CE2-CD2 4.23Å; F782-W851 AromaticContact CE2-CG 3.79Å; F782-W851 HydrophobicContact CE2-CG 3.79Å; F782-W851 HydrophobicContact CZ-CB 3.66Å; F782-W851 AromaticContact CZ-CD1 3.62Å; F782-W851 HydrophobicContact CZ-CD2 4.49Å; F782-W851 AromaticContact CZ-CG 3.64Å; F782-W851 HydrophobicContact CZ-CG 3.64Å; F782-V861 HydrophobicContact CD2-CG1 4.13Å; F782-V861 HydrophobicContact CE2-CG1 3.95Å; F782-C864 HydrophobicContact CB-CB 4.45Å; F782-A865 HydrophobicContact CD1-CB 4.22Å; F782-A865 HydrophobicContact CD2-CB 4.3Å; F782-A865 HydrophobicContact CE1-CB 3.87Å; F782-A865 HydrophobicContact CE2-CB 3.95Å; F782-A865 HydrophobicContact CG-CB 4.43Å; F782-A865 HydrophobicContact CZ-CB 3.72Å; F782-L868 HydrophobicContact CD1-CD2 3.75Å; F782-L868 HydrophobicContact CE1-CD2 4.24Å |
| 783 | V | 95.1 | Very high | 90.7 | Very high | 6 Ų | 6 | 14 Ų | 14 | 4% | 0.036 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.3 | -38.5 | 175.3 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | Y521 Y722 N779 H780 G786 T787 | Y521-V783 WeakPolarHBondContact O-CG1 3.27Å; Y722-V783 HydrophobicContact CD2-CB 3.91Å; Y722-V783 HydrophobicContact CD2-CG1 3.81Å; Y722-V783 HydrophobicContact CE2-CB 3.8Å; Y722-V783 HydrophobicContact CE2-CG1 3.36Å; Y722-V783 HydrophobicContact CE2-CG2 4.45Å; N779-V783 WeakPolarHBondContact O-CG2 3.32Å; N779-V783 PolarHBondContact O-N 3.36Å; H780-V783 PolarHBondContact O-N 2.87Å; V783-G786 PolarHBondContact O-N 3.47Å; V783-T787 WeakPolarHBondContact O-CB 3.33Å; V783-T787 PolarHBondContact O-N 3.09Å; V783-T787 PolarHBondContact O-OG1 2.86Å |
| 784 | S | 95.7 | Very high | 90 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.9 | -49 | 174.8 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | M721 S725 H780 L781 F782 T787 C788 | M721-S784 VanDerWaalsContact C-OG 3.3Å; M721-S784 PolarHBondContact O-OG 2.98Å; S725-S784 WeakPolarHBondContact OG-CA 3.36Å; H780-S784 WeakPolarHBondContact O-CB 3.26Å; H780-S784 PolarHBondContact O-N 3.42Å; L781-S784 WeakPolarHBondContact O-CB 3.32Å; L781-S784 PolarHBondContact O-N 3.25Å; F782-S784 VanDerWaalsContact C-N 3.3Å; F782-S784 PolarHBondContact O-N 2.82Å; S784-T787 PolarHBondContact O-N 2.93Å; S784-C788 WeakPolarHBondContact O-CB 3.21Å; S784-C788 PolarHBondContact O-N 2.76Å; S784-C788 PolarHBondContact O-SG 3.3Å |
| 785 | I | 95.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.6 | -53 | 177.5 | -66.3 | 164.4 | 0 | 0 | 0 | 110.7 | L756 L759 L781 F782 T787 C788 L789 L811 L868 | L756-I785 HydrophobicContact CD2-CD1 3.96Å; L756-I785 HydrophobicContact CG-CD1 4.15Å; L759-I785 HydrophobicContact CD1-CD1 3.68Å; L781-I785 WeakPolarHBondContact O-CG1 3.41Å; L781-I785 PolarHBondContact O-N 3.08Å; F782-I785 PolarHBondContact O-N 3.24Å; I785-T787 PolarHBondContact O-N 3.3Å; I785-C788 PolarHBondContact O-N 3.21Å; I785-L789 HydrophobicContact CG2-CD1 3.71Å; I785-L789 HydrophobicContact CG2-CG 4.36Å; I785-L789 WeakPolarHBondContact O-CB 3.41Å; I785-L789 VanDerWaalsContact O-CG 3.29Å; I785-L789 WeakPolarHBondContact O-CG 3.11Å; I785-L789 PolarHBondContact O-N 3.12Å; I785-L811 HydrophobicContact CG2-CD2 4.02Å; I785-L868 HydrophobicContact CB-CD2 4.27Å; I785-L868 HydrophobicContact CG2-CD1 4.13Å; I785-L868 HydrophobicContact CG2-CD2 3.76Å |
| 786 | G | 94.4 | Very high | 87.9 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.6 | -41.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F782 V783 L789 L790 | F782-G786 PolarHBondContact O-N 3.35Å; V783-G786 PolarHBondContact O-N 3.47Å; G786-L789 PolarHBondContact O-N 3.09Å; G786-L790 WeakPolarHBondContact O-CG 3.38Å; G786-L790 PolarHBondContact O-N 3.17Å |
| 787 | T | 94.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.1 | -43.4 | 177.6 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | P523 S524 S725 H729 V783 S784 I785 S791 | P523-T787 HydrophobicContact CB-CG2 4.17Å; S524-T787 PolarHBondContact N-OG1 3.4Å; S524-T787 VanDerWaalsContact N-OG1 3.12Å; S725-T787 WeakPolarHBondContact O-CG2 3.46Å; H729-T787 HydrophobicContact CB-CG2 3.66Å; V783-T787 WeakPolarHBondContact O-CB 3.33Å; V783-T787 PolarHBondContact O-N 3.09Å; V783-T787 PolarHBondContact O-OG1 2.86Å; S784-T787 PolarHBondContact O-N 2.93Å; I785-T787 PolarHBondContact O-N 3.3Å; T787-S791 VanDerWaalsContact O-CB 3.31Å; T787-S791 WeakPolarHBondContact O-CB 3.31Å; T787-S791 PolarHBondContact O-N 2.96Å; T787-S791 VanDerWaalsContact O-N 3.08Å; T787-S791 PolarHBondContact O-OG 3.11Å |
| 788 | C | 93.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.2 | -44.8 | 174.6 | -79.6 | 0 | 0 | 0 | 0 | 112.4 | S725 I752 S784 I785 S791 V792 | S725-C788 WeakPolarHBondContact CB-SG 3.5Å; I752-C788 HydrophobicContact CD1-CB 3.95Å; I752-C788 HydrophobicContact CG1-CB 3.94Å; S784-C788 WeakPolarHBondContact O-CB 3.21Å; S784-C788 PolarHBondContact O-N 2.76Å; S784-C788 PolarHBondContact O-SG 3.3Å; I785-C788 PolarHBondContact O-N 3.21Å; C788-S791 PolarHBondContact O-N 3.11Å; C788-V792 WeakPolarHBondContact O-CG2 3.48Å; C788-V792 PolarHBondContact O-N 3.47Å |
| 789 | L | 91.6 | Very high | 86 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.1 | -46.6 | -179.4 | -73.8 | 168.6 | 0 | 0 | 0 | 112.8 | I752 I785 G786 S791 V792 T793 R807 I810 L811 L868 L872 | I752-L789 HydrophobicContact CD1-CD2 3.87Å; I752-L789 HydrophobicContact CD1-CG 4.03Å; I785-L789 HydrophobicContact CG2-CD1 3.71Å; I785-L789 HydrophobicContact CG2-CG 4.36Å; I785-L789 WeakPolarHBondContact O-CB 3.41Å; I785-L789 VanDerWaalsContact O-CG 3.29Å; I785-L789 WeakPolarHBondContact O-CG 3.11Å; I785-L789 PolarHBondContact O-N 3.12Å; G786-L789 PolarHBondContact O-N 3.09Å; L789-S791 VanDerWaalsContact C-N 3.26Å; L789-S791 PolarHBondContact O-N 2.86Å; L789-V792 PolarHBondContact O-N 3.25Å; L789-T793 WeakPolarHBondContact O-CB 3.43Å; L789-T793 PolarHBondContact O-N 2.97Å; L789-T793 PolarHBondContact O-OG1 3.1Å; L789-R807 HydrophobicContact CB-CG 4.48Å; L789-R807 HydrophobicContact CD2-CB 4.23Å; L789-R807 HydrophobicContact CD2-CG 4.46Å; L789-I810 HydrophobicContact CD2-CB 4.26Å; L789-I810 HydrophobicContact CD2-CG2 4.06Å; L789-L811 HydrophobicContact CD1-CD1 3.93Å; L789-L811 HydrophobicContact CD1-CD2 4.12Å; L789-L811 HydrophobicContact CD1-CG 4.1Å; L789-L811 HydrophobicContact CD2-CD1 4.42Å; L789-L811 HydrophobicContact CD2-CD2 4.34Å; L789-L811 HydrophobicContact CD2-CG 3.92Å; L789-L868 HydrophobicContact CD1-CD1 3.81Å; L789-L872 HydrophobicContact CD1-CD2 4.21Å |
| 790 | L | 90 | Very high | 85.4 | Confident | 35 Ų | 35 | 40.9 Ų | 40.9 | 18% | 0.183 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.2 | -36.1 | 177.4 | -70.4 | -178.1 | 0 | 0 | 0 | 111.5 | F522 G786 S794 I871 | F522-L790 HydrophobicContact CB-CD1 4.4Å; F522-L790 HydrophobicContact CD2-CD1 3.75Å; F522-L790 HydrophobicContact CG-CD1 4.49Å; G786-L790 WeakPolarHBondContact O-CG 3.38Å; G786-L790 PolarHBondContact O-N 3.17Å; L790-S794 PolarHBondContact O-N 2.94Å; L790-I871 HydrophobicContact CD1-CD1 4.33Å; L790-I871 HydrophobicContact CD2-CD1 4.2Å; L790-I871 HydrophobicContact CD2-CG2 4.1Å |
| 791 | S | 87 | Confident | 84.8 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.7 | -46 | 176.4 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | H729 K732 T787 C788 L789 T793 S794 | H729-S791 VanDerWaalsContact CA-OG 3.26Å; H729-S791 WeakPolarHBondContact CA-OG 3.41Å; H729-S791 VanDerWaalsContact CB-OG 3.29Å; H729-S791 WeakPolarHBondContact CB-OG 3.46Å; H729-S791 PolarHBondContact ND1-OG 2.99Å; H729-S791 VanDerWaalsContact ND1-OG 3.11Å; K732-S791 WeakPolarHBondContact CD-O 3.36Å; K732-S791 WeakPolarHBondContact CE-O 3.45Å; K732-S791 PolarHBondContact NZ-O 3.21Å; T787-S791 VanDerWaalsContact O-CB 3.31Å; T787-S791 WeakPolarHBondContact O-CB 3.31Å; T787-S791 PolarHBondContact O-N 2.96Å; T787-S791 VanDerWaalsContact O-N 3.08Å; T787-S791 PolarHBondContact O-OG 3.11Å; C788-S791 PolarHBondContact O-N 3.11Å; L789-S791 VanDerWaalsContact C-N 3.26Å; L789-S791 PolarHBondContact O-N 2.86Å; S791-T793 VanDerWaalsContact C-N 3.34Å; S791-T793 PolarHBondContact O-N 3.13Å; S791-S794 PolarHBondContact O-OG 3.28Å |
| 792 | V | 83.1 | Confident | 84.3 | Confident | 39 Ų | 39 | 52.6 Ų | 52.6 | 24% | 0.236 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69 | -33.9 | -178 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | K732 S748 C788 L789 I810 | K732-V792 PolarHBondContact NZ-O 3.32Å; S748-V792 VanDerWaalsContact CB-CG2 3.42Å; S748-V792 WeakPolarHBondContact OG-CG2 3.43Å; C788-V792 WeakPolarHBondContact O-CG2 3.48Å; C788-V792 PolarHBondContact O-N 3.47Å; L789-V792 PolarHBondContact O-N 3.25Å; V792-I810 HydrophobicContact CB-CD1 3.97Å; V792-I810 HydrophobicContact CG1-CD1 3.46Å; V792-I810 VanDerWaalsContact CG1-CD1 3.46Å |
| 793 | T | 80 | Confident | 83.9 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 11.7 | -174.8 | 60 | 0 | 0 | 0 | 0 | 115 | L789 S791 E795 L803 Q806 R807 I810 | L789-T793 WeakPolarHBondContact O-CB 3.43Å; L789-T793 PolarHBondContact O-N 2.97Å; L789-T793 PolarHBondContact O-OG1 3.1Å; S791-T793 VanDerWaalsContact C-N 3.34Å; S791-T793 PolarHBondContact O-N 3.13Å; T793-E795 PolarHBondContact O-N 2.56Å; T793-L803 WeakPolarHBondContact O-CD2 3.47Å; T793-Q806 HydrophobicContact CG2-CB 4.06Å; T793-Q806 HydrophobicContact CG2-CG 3.86Å; T793-R807 HydrophobicContact CG2-CB 4.46Å; T793-R807 HydrophobicContact CG2-CG 3.47Å; T793-R807 VanDerWaalsContact CG2-CG 3.47Å; T793-R807 PolarHBondContact OG1-NE 2.71Å; T793-I810 HydrophobicContact CG2-CD1 3.87Å |
| 794 | S | 69.5 | Low | 83.4 | Confident | 69 Ų | 69 | 55.8 Ų | 55.8 | 48% | 0.483 | 29% | 0.291 | S | S | . | . | trans | -80.6 | 78.9 | 175.6 | 72.1 | 0 | 0 | 0 | 0 | 111.4 | K732 L790 S791 | K732-S794 WeakPolarHBondContact CE-OG 3.42Å; L790-S794 PolarHBondContact O-N 2.94Å; S791-S794 PolarHBondContact O-OG 3.28Å | ||
| 795 | E | 66.8 | Low | 82.9 | Confident | 110 Ų | 110 | 58.9 Ų | 58.9 | 51% | 0.514 | 31% | 0.31 | S | S | . | . | trans | -106.5 | 130 | 171.2 | -74.6 | -177.2 | -169.2 | 0 | 0 | 111.2 | T793 N797 | T793-E795 PolarHBondContact O-N 2.56Å; E795-N797 PolarHBondContact O-N 3.4Å | ||
| 796 | L | 60 | Low | 82.4 | Confident | 168 Ų | 168 | 61.3 Ų | 61.3 | 88% | 0.88 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 114.3 | 169.1 | -73.8 | 124 | 0 | 0 | 0 | 107.7 | ||
| 797 | N | 69.1 | Low | 82.2 | Confident | 165 Ų | 165 | 62.6 Ų | 62.6 | 88% | 0.882 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.3 | 6 | 174.9 | -49.9 | -37.8 | 0 | 0 | 0 | 118.2 | E795 | E795-N797 PolarHBondContact O-N 3.4Š|
| 798 | S | 76.8 | Confident | 81.8 | Confident | 34 Ų | 34 | 64.7 Ų | 64.7 | 24% | 0.238 | 34% | 0.337 | C | S | . | . | trans | -86.9 | 137.4 | 174 | -64.4 | 0 | 0 | 0 | 0 | 111.9 | L803 | S798-L803 VanDerWaalsContact CB-CD2 3.45Š| ||
| 799 | T | 83.8 | Confident | 81.4 | Confident | 75 Ų | 75 | 71.3 Ų | 71.3 | 46% | 0.46 | 36% | 0.362 | S | S | . | . | trans | -69 | 157.5 | 173.3 | 69.6 | 0 | 0 | 0 | 0 | 110.8 | E801 Q802 L803 | T799-E801 PolarHBondContact O-N 3.22Å; T799-Q802 WeakPolarHBondContact O-CB 3.19Å; T799-Q802 PolarHBondContact O-N 2.89Å; T799-Q802 VanDerWaalsContact OG1-CG 3.27Å; T799-Q802 WeakPolarHBondContact OG1-CG 3.37Å; T799-Q802 PolarHBondContact OG1-N 3.5Å; T799-Q802 PolarHBondContact OG1-OE1 3.44Å; T799-L803 WeakPolarHBondContact O-CG 3.32Å; T799-L803 PolarHBondContact O-N 3.33Å | ||
| 800 | E | 80.9 | Confident | 81.2 | Confident | 135 Ų | 135 | 72.8 Ų | 72.8 | 63% | 0.631 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -56.5 | -38.9 | 178.1 | -168.2 | -178.5 | 162.9 | 0 | 0 | 112.3 | L803 K804 | E800-L803 PolarHBondContact O-N 3.43Å; E800-K804 WeakPolarHBondContact O-CG 3.47Å; E800-K804 PolarHBondContact O-N 3.5Å; E800-K804 WeakPolarHBondContact OE1-CE 3.47Å; E800-K804 IonicContact OE1-NZ 2.82Å |
| 801 | E | 83.2 | Confident | 81 | Confident | 156 Ų | 156 | 71.1 Ų | 71.1 | 73% | 0.729 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.1 | -39.7 | 174.9 | -67.7 | -177.1 | 167.4 | 0 | 0 | 112.8 | T799 L803 K804 T805 | T799-E801 PolarHBondContact O-N 3.22Å; E801-L803 VanDerWaalsContact C-N 3.34Å; E801-K804 PolarHBondContact O-N 2.93Å; E801-T805 WeakPolarHBondContact O-CB 3.17Å; E801-T805 PolarHBondContact O-N 3Å; E801-T805 PolarHBondContact O-OG1 3.29Å |
| 802 | Q | 84.9 | Confident | 80.9 | Confident | 104 Ų | 104 | 71 Ų | 71 | 49% | 0.486 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 174.7 | -73.8 | 170.9 | -27.7 | 0 | 0 | 110.8 | T799 T805 Q806 | T799-Q802 WeakPolarHBondContact O-CB 3.19Å; T799-Q802 PolarHBondContact O-N 2.89Å; T799-Q802 VanDerWaalsContact OG1-CG 3.27Å; T799-Q802 WeakPolarHBondContact OG1-CG 3.37Å; T799-Q802 PolarHBondContact OG1-N 3.5Å; T799-Q802 PolarHBondContact OG1-OE1 3.44Å; Q802-T805 PolarHBondContact O-N 3.31Å; Q802-Q806 WeakPolarHBondContact O-CB 3.42Å; Q802-Q806 PolarHBondContact O-N 3.36Å |
| 803 | L | 86.1 | Confident | 80.9 | Confident | 29 Ų | 29 | 72.6 Ų | 72.6 | 15% | 0.152 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.8 | -45 | 176.5 | -64.3 | -175.8 | 0 | 0 | 0 | 111.8 | T793 S798 T799 E800 E801 Q806 R807 | T793-L803 WeakPolarHBondContact O-CD2 3.47Å; S798-L803 VanDerWaalsContact CB-CD2 3.45Å; T799-L803 WeakPolarHBondContact O-CG 3.32Å; T799-L803 PolarHBondContact O-N 3.33Å; E800-L803 PolarHBondContact O-N 3.43Å; E801-L803 VanDerWaalsContact C-N 3.34Å; L803-Q806 PolarHBondContact O-N 2.95Å; L803-R807 VanDerWaalsContact O-CG 3.27Å; L803-R807 WeakPolarHBondContact O-CG 3.45Å; L803-R807 PolarHBondContact O-N 3.45Å |
| 804 | K | 85.1 | Confident | 81.1 | Confident | 46 Ų | 46 | 72.7 Ų | 72.7 | 20% | 0.2 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.2 | -48.5 | 174.9 | -73.8 | -178.4 | -176.7 | -168.2 | 0 | 111.2 | E800 E801 Q806 R807 I808 E873 | E800-K804 WeakPolarHBondContact O-CG 3.47Å; E800-K804 PolarHBondContact O-N 3.5Å; E800-K804 WeakPolarHBondContact OE1-CE 3.47Å; E800-K804 IonicContact OE1-NZ 2.82Å; E801-K804 PolarHBondContact O-N 2.93Å; K804-Q806 VanDerWaalsContact C-N 3.31Å; K804-Q806 PolarHBondContact O-N 3.39Å; K804-R807 PolarHBondContact O-N 2.67Å; K804-I808 WeakPolarHBondContact O-CG1 3.38Å; K804-I808 PolarHBondContact O-N 3.2Å; K804-E873 WeakPolarHBondContact CE-OXT 3.43Å; K804-E873 PolarHBondContact NZ-O 3.07Å; K804-E873 PolarHBondContact NZ-OXT 3.28Å |
| 805 | T | 85 | Confident | 81.5 | Confident | 65 Ų | 65 | 70.3 Ų | 70.3 | 40% | 0.399 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.5 | -43.6 | 177.1 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | E801 Q802 I808 R809 | E801-T805 WeakPolarHBondContact O-CB 3.17Å; E801-T805 PolarHBondContact O-N 3Å; E801-T805 PolarHBondContact O-OG1 3.29Å; Q802-T805 PolarHBondContact O-N 3.31Å; T805-I808 PolarHBondContact O-N 3.09Å; T805-R809 WeakPolarHBondContact O-CG 3.47Å; T805-R809 PolarHBondContact O-N 3.21Å |
| 806 | Q | 86 | Confident | 81.5 | Confident | 52 Ų | 52 | 67.8 Ų | 67.8 | 24% | 0.243 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 177.9 | -169 | 179.7 | 12.7 | 0 | 0 | 112 | T793 Q802 L803 K804 R809 I810 | T793-Q806 HydrophobicContact CG2-CB 4.06Å; T793-Q806 HydrophobicContact CG2-CG 3.86Å; Q802-Q806 WeakPolarHBondContact O-CB 3.42Å; Q802-Q806 PolarHBondContact O-N 3.36Å; L803-Q806 PolarHBondContact O-N 2.95Å; K804-Q806 VanDerWaalsContact C-N 3.31Å; K804-Q806 PolarHBondContact O-N 3.39Å; Q806-R809 PolarHBondContact O-N 2.89Å; Q806-I810 HydrophobicContact CG-CD1 4.18Å; Q806-I810 WeakPolarHBondContact O-CD1 3.32Å; Q806-I810 VanDerWaalsContact O-CG1 3.27Å; Q806-I810 WeakPolarHBondContact O-CG1 3.24Å; Q806-I810 PolarHBondContact O-N 3.48Å |
| 807 | R | 89.4 | Confident | 81.4 | Confident | 27 Ų | 27 | 61.6 Ų | 61.6 | 10% | 0.102 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 176.1 | -68.8 | 169.2 | -170.7 | 153.9 | 2.3 | 111.7 | L789 T793 L803 K804 R809 I810 L811 I871 L872 | L789-R807 HydrophobicContact CB-CG 4.48Å; L789-R807 HydrophobicContact CD2-CB 4.23Å; L789-R807 HydrophobicContact CD2-CG 4.46Å; T793-R807 HydrophobicContact CG2-CB 4.46Å; T793-R807 HydrophobicContact CG2-CG 3.47Å; T793-R807 VanDerWaalsContact CG2-CG 3.47Å; T793-R807 PolarHBondContact OG1-NE 2.71Å; L803-R807 VanDerWaalsContact O-CG 3.27Å; L803-R807 WeakPolarHBondContact O-CG 3.45Å; L803-R807 PolarHBondContact O-N 3.45Å; K804-R807 PolarHBondContact O-N 2.67Å; R807-R809 PolarHBondContact O-N 3.11Å; R807-I810 PolarHBondContact O-N 3.41Å; R807-L811 PolarHBondContact O-N 2.93Å; R807-I871 PolarHBondContact NH1-O 3.42Å; R807-I871 VanDerWaalsContact NH1-O 3.14Å; R807-L872 HydrophobicContact CB-CD2 3.68Å |
| 808 | I | 86 | Confident | 80.8 | Confident | 44 Ų | 44 | 56 Ų | 56 | 23% | 0.226 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 177.2 | -69.9 | 169.3 | 0 | 0 | 0 | 110.4 | K804 T805 I810 L811 A812 W841 | K804-I808 WeakPolarHBondContact O-CG1 3.38Å; K804-I808 PolarHBondContact O-N 3.2Å; T805-I808 PolarHBondContact O-N 3.09Å; I808-I810 PolarHBondContact O-N 2.65Å; I808-L811 PolarHBondContact O-N 3.16Å; I808-A812 VanDerWaalsContact O-CB 3.28Å; I808-A812 WeakPolarHBondContact O-CB 3.14Å; I808-A812 PolarHBondContact O-N 3.03Å; I808-W841 HydrophobicContact CB-CD2 4.46Å; I808-W841 HydrophobicContact CB-CE3 4.44Å; I808-W841 HydrophobicContact CD1-CZ2 4.4Å; I808-W841 HydrophobicContact CG1-CD2 4.15Å; I808-W841 HydrophobicContact CG1-CE3 4.15Å; I808-W841 HydrophobicContact CG1-CH2 4.34Å; I808-W841 HydrophobicContact CG1-CZ2 4.29Å; I808-W841 HydrophobicContact CG1-CZ3 4.26Å; I808-W841 HydrophobicContact CG2-CB 3.85Å; I808-W841 HydrophobicContact CG2-CD2 3.7Å; I808-W841 HydrophobicContact CG2-CE3 3.99Å; I808-W841 HydrophobicContact CG2-CG 3.61Å |
| 809 | R | 85.4 | Confident | 79.4 | Confident | 139 Ų | 139 | 60.1 Ų | 60.1 | 53% | 0.525 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 176.7 | -75.4 | -175.7 | -176.9 | 152.9 | 5.1 | 113 | T805 Q806 R807 A812 S813 E837 | T805-R809 WeakPolarHBondContact O-CG 3.47Å; T805-R809 PolarHBondContact O-N 3.21Å; Q806-R809 PolarHBondContact O-N 2.89Å; R807-R809 PolarHBondContact O-N 3.11Å; R809-A812 PolarHBondContact O-N 3.43Å; R809-S813 VanDerWaalsContact O-CB 3.27Å; R809-S813 WeakPolarHBondContact O-CB 3.43Å; R809-S813 PolarHBondContact O-N 3.45Å; R809-E837 IonicContact NE-OE2 3.5Å |
| 810 | I | 86.5 | Confident | 77.2 | Confident | 33 Ų | 33 | 63 Ų | 63 | 17% | 0.169 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 177.3 | -67.6 | 160.8 | 0 | 0 | 0 | 110.5 | I752 L789 V792 T793 Q806 R807 I808 A814 | I752-I810 HydrophobicContact CD1-CG2 3.77Å; L789-I810 HydrophobicContact CD2-CB 4.26Å; L789-I810 HydrophobicContact CD2-CG2 4.06Å; V792-I810 HydrophobicContact CB-CD1 3.97Å; V792-I810 HydrophobicContact CG1-CD1 3.46Å; V792-I810 VanDerWaalsContact CG1-CD1 3.46Å; T793-I810 HydrophobicContact CG2-CD1 3.87Å; Q806-I810 HydrophobicContact CG-CD1 4.18Å; Q806-I810 WeakPolarHBondContact O-CD1 3.32Å; Q806-I810 VanDerWaalsContact O-CG1 3.27Å; Q806-I810 WeakPolarHBondContact O-CG1 3.24Å; Q806-I810 PolarHBondContact O-N 3.48Å; R807-I810 PolarHBondContact O-N 3.41Å; I808-I810 PolarHBondContact O-N 2.65Å; I810-A814 WeakPolarHBondContact O-CB 3.37Å; I810-A814 PolarHBondContact O-N 3.16Å |
| 811 | L | 86.8 | Confident | 75.1 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65 | -44.9 | 177 | -77.1 | 170.8 | 0 | 0 | 0 | 112.4 | I752 L756 I785 L789 R807 I808 A814 M815 W841 V844 L872 | I752-L811 HydrophobicContact CG2-CD2 3.63Å; L756-L811 HydrophobicContact CD1-CD2 3.96Å; I785-L811 HydrophobicContact CG2-CD2 4.02Å; L789-L811 HydrophobicContact CD1-CD1 3.93Å; L789-L811 HydrophobicContact CD1-CD2 4.12Å; L789-L811 HydrophobicContact CD1-CG 4.1Å; L789-L811 HydrophobicContact CD2-CD1 4.42Å; L789-L811 HydrophobicContact CD2-CD2 4.34Å; L789-L811 HydrophobicContact CD2-CG 3.92Å; R807-L811 PolarHBondContact O-N 2.93Å; I808-L811 PolarHBondContact O-N 3.16Å; L811-A814 PolarHBondContact O-N 3.33Å; L811-M815 PolarHBondContact O-N 3.35Å; L811-M815 VanDerWaalsContact O-N 3.15Å; L811-W841 HydrophobicContact CD1-CZ3 3.9Å; L811-V844 HydrophobicContact CB-CG1 4.4Å; L811-V844 HydrophobicContact CB-CG2 4.25Å; L811-V844 HydrophobicContact CD1-CG1 4.19Å; L811-V844 HydrophobicContact CD2-CG1 4.25Å; L811-L872 HydrophobicContact CD1-CD1 3.48Å; L811-L872 VanDerWaalsContact CD1-CD1 3.48Å; L811-L872 HydrophobicContact CD1-CD2 3.43Å; L811-L872 VanDerWaalsContact CD1-CD2 3.43Å; L811-L872 HydrophobicContact CD1-CG 4.09Å |
| 812 | A | 84.6 | Confident | 72.5 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.6 | -49.8 | 177 | 0 | 0 | 0 | 0 | 0 | 110.7 | I808 R809 A814 M815 I816 E837 A840 | I808-A812 VanDerWaalsContact O-CB 3.28Å; I808-A812 WeakPolarHBondContact O-CB 3.14Å; I808-A812 PolarHBondContact O-N 3.03Å; R809-A812 PolarHBondContact O-N 3.43Å; A812-A814 VanDerWaalsContact C-N 3.27Å; A812-A814 PolarHBondContact O-N 2.84Å; A812-M815 PolarHBondContact O-N 3.43Å; A812-I816 WeakPolarHBondContact O-CG1 3.24Å; A812-I816 PolarHBondContact O-N 3.06Å; A812-E837 HydrophobicContact CB-CB 4.42Å; A812-E837 WeakPolarHBondContact CB-O 3.49Å; A812-A840 HydrophobicContact CB-CB 3.87Å; A812-A840 WeakPolarHBondContact O-CB 3.27Å |
| 813 | S | 83.5 | Confident | 69.9 | Low | 72 Ų | 72 | 67 Ų | 67 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.6 | -37.4 | 176.2 | -179.3 | 0 | 0 | 0 | 0 | 112.5 | R753 R809 M815 I816 | R753-S813 PolarHBondContact NH2-O 3.35Å; R809-S813 VanDerWaalsContact O-CB 3.27Å; R809-S813 WeakPolarHBondContact O-CB 3.43Å; R809-S813 PolarHBondContact O-N 3.45Å; S813-M815 VanDerWaalsContact C-N 3.26Å; S813-M815 PolarHBondContact O-N 3.37Å; S813-I816 PolarHBondContact O-N 2.85Å |
| 814 | A | 83 | Confident | 67 | Low | 3 Ų | 3 | 70.8 Ų | 70.8 | 3% | 0.025 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.5 | -23 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I752 R753 I810 L811 A812 | I752-A814 HydrophobicContact CB-CB 4.28Å; I752-A814 HydrophobicContact CG2-CB 3.6Å; R753-A814 HydrophobicContact CB-CB 4.25Å; R753-A814 WeakPolarHBondContact CG-O 3.01Å; R753-A814 PolarHBondContact NE-O 3.38Å; R753-A814 PolarHBondContact NH1-O 2.94Å; I810-A814 WeakPolarHBondContact O-CB 3.37Å; I810-A814 PolarHBondContact O-N 3.16Å; L811-A814 PolarHBondContact O-N 3.33Å; A812-A814 VanDerWaalsContact C-N 3.27Å; A812-A814 PolarHBondContact O-N 2.84Å |
| 815 | M | 78.2 | Confident | 64.4 | Low | 19 Ų | 19 | 75.2 Ų | 75.2 | 9% | 0.094 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -89.5 | -31.7 | 174.7 | -72.1 | -61.2 | -92.6 | 0 | 0 | 113.9 | L756 L811 A812 S813 G817 L818 A840 V844 I847 | L756-M815 HydrophobicContact CB-SD 3.75Å; L756-M815 HydrophobicContact CD1-CG 4Å; L756-M815 HydrophobicContact CD1-SD 3.79Å; L756-M815 HydrophobicContact CG-SD 4.32Å; L811-M815 PolarHBondContact O-N 3.35Å; L811-M815 VanDerWaalsContact O-N 3.15Å; A812-M815 PolarHBondContact O-N 3.43Å; S813-M815 VanDerWaalsContact C-N 3.26Å; S813-M815 PolarHBondContact O-N 3.37Å; M815-G817 PolarHBondContact O-N 3.37Å; M815-L818 HydrophobicContact CE-CD1 4.2Å; M815-L818 WeakPolarHBondContact O-CB 3.32Å; M815-L818 PolarHBondContact O-N 3.28Å; M815-L818 HydrophobicContact SD-CD1 3.43Å; M815-L818 WeakPolarHBondContact SD-CD1 3.46Å; M815-A840 HydrophobicContact CB-CB 4.16Å; M815-V844 HydrophobicContact CB-CG2 4.34Å; M815-V844 HydrophobicContact CE-CG2 4.41Å; M815-V844 HydrophobicContact CG-CG2 3.19Å; M815-V844 HydrophobicContact SD-CG2 4.17Å; M815-I847 HydrophobicContact CE-CD1 3.36Å; M815-I847 HydrophobicContact SD-CD1 4.41Å |
| 816 | I | 66.8 | Low | 61.8 | Low | 56 Ų | 56 | 78.6 Ų | 78.6 | 29% | 0.287 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 123.3 | 176.3 | -65.3 | 168.7 | 0 | 0 | 0 | 108.3 | R753 A812 S813 D836 A840 | R753-I816 PolarHBondContact NH1-O 3.18Å; R753-I816 PolarHBondContact NH2-O 3.14Å; A812-I816 WeakPolarHBondContact O-CG1 3.24Å; A812-I816 PolarHBondContact O-N 3.06Å; S813-I816 PolarHBondContact O-N 2.85Å; I816-D836 HydrophobicContact CD1-CB 4.22Å; I816-D836 WeakPolarHBondContact CD1-OD2 3.26Å; I816-D836 WeakPolarHBondContact CG1-OD2 3.34Å; I816-D836 WeakPolarHBondContact CG2-OD2 3.48Å; I816-A840 HydrophobicContact CD1-CB 4.35Å; I816-A840 HydrophobicContact CG1-CB 3.79Å |
| 817 | G | 58.5 | Low | 59.3 | Low | 39 Ų | 39 | 82.3 Ų | 82.3 | 40% | 0.402 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104.4 | -11.4 | -171 | 0 | 0 | 0 | 0 | 0 | 115.8 | M815 | M815-G817 PolarHBondContact O-N 3.37Š|
| 818 | L | 55.8 | Low | 56.4 | Low | 48 Ų | 48 | 89.1 Ų | 89.1 | 25% | 0.251 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -80.7 | -19.9 | 169.1 | -73.6 | 165.2 | 0 | 0 | 0 | 112.6 | N757 M815 | N757-L818 HydrophobicContact CB-CD2 4.05Å; M815-L818 HydrophobicContact CE-CD1 4.2Å; M815-L818 WeakPolarHBondContact O-CB 3.32Å; M815-L818 PolarHBondContact O-N 3.28Å; M815-L818 HydrophobicContact SD-CD1 3.43Å; M815-L818 WeakPolarHBondContact SD-CD1 3.46Å |
| 819 | K | 47.4 | Very low | 54.1 | Low | 120 Ų | 120 | 93 Ų | 93 | 52% | 0.522 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -85.6 | -8.4 | -174.9 | -79.9 | -175.6 | 177.5 | 173.2 | 0 | 115.7 | S843 | K819-S843 WeakPolarHBondContact CE-OG 3.44Å; K819-S843 PolarHBondContact NZ-OG 2.71Å |
| 820 | D | 38.7 | Very low | 51.8 | Low | 135 Ų | 135 | 94.2 Ų | 94.2 | 72% | 0.722 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -92.8 | 2.3 | -174 | -67.2 | -33 | 0 | 0 | 0 | 115.5 | ||
| 821 | L | 36.1 | Very low | 49.4 | Very low | 150 Ų | 150 | 98.2 Ų | 98.2 | 79% | 0.785 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -97.6 | 9.8 | -176.4 | -87.9 | 129.7 | 0 | 0 | 0 | 115.2 | ||
| 822 | S | 29.1 | Very low | 47.1 | Very low | 104 Ų | 104 | 103 Ų | 103 | 73% | 0.727 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -125.7 | 4.8 | -179.2 | 67.1 | 0 | 0 | 0 | 0 | 117 | ||
| 823 | R | 29 | Very low | 45.3 | Very low | 224 Ų | 224 | 108.5 Ų | 108.5 | 85% | 0.845 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -139.8 | 122.8 | 173.5 | -73 | -171.6 | 175.9 | 171.7 | -1.6 | 113.7 | ||
| 824 | S | 26.9 | Very low | 43.8 | Very low | 110 Ų | 110 | 110.8 Ų | 110.8 | 77% | 0.769 | 60% | 0.6 | S | S | * | * | trans | -17.9 | 136.2 | 163.5 | 53.1 | 0 | 0 | 0 | 0 | 117.8 | D826 | S824-D826 PolarHBondContact O-N 2.92Š| ||
| 825 | V | 29.1 | Very low | 42.3 | Very low | 138 Ų | 138 | 114.9 Ų | 114.9 | 84% | 0.836 | 63% | 0.625 | S | S | * | * | trans | -27.2 | 107.3 | 153.9 | -174.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 826 | D | 32.2 | Very low | 41.8 | Very low | 137 Ų | 137 | 116.2 Ų | 116.2 | 73% | 0.733 | 63% | 0.632 | S | S | * | * | trans | -172.5 | 115.3 | 147.1 | -96 | -30.7 | 0 | 0 | 0 | 111.7 | S824 | S824-D826 PolarHBondContact O-N 2.92Š| ||
| 827 | N | 31.6 | Very low | 42.1 | Very low | 130 Ų | 130 | 116.7 Ų | 116.7 | 70% | 0.695 | 63% | 0.633 | S | S | * | * | trans | 56.1 | 115.9 | 144.6 | -54.2 | -41.8 | 0 | 0 | 0 | 122.3 | V829 | N827-V829 PolarHBondContact O-N 2.66Š| ||
| 828 | D | 30.3 | Very low | 43.1 | Very low | 170 Ų | 170 | 121.2 Ų | 121.2 | 91% | 0.909 | 64% | 0.642 | S | S | * | * | trans | 30.9 | 72.4 | 136.1 | -67.5 | -22.7 | 0 | 0 | 0 | 118.9 | ||||
| 829 | V | 36.7 | Very low | 44.3 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 75% | 0.752 | 65% | 0.647 | S | S | * | * | trans | -112 | 120.4 | 162.2 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | N827 I831 | N827-V829 PolarHBondContact O-N 2.66Å; V829-I831 PolarHBondContact O-N 3.23Å | ||
| 830 | I | 37.2 | Very low | 46 | Very low | 166 Ų | 166 | 116.2 Ų | 116.2 | 85% | 0.851 | 62% | 0.624 | S | S | * | * | trans | -59 | 114.3 | 171.6 | -62.2 | 170.9 | 0 | 0 | 0 | 108.2 | D832 | I830-D832 PolarHBondContact O-N 3.44Š| ||
| 831 | I | 35.2 | Very low | 48.3 | Very low | 117 Ų | 117 | 110.7 Ų | 110.7 | 60% | 0.6 | 59% | 0.593 | S | S | * | * | trans | -77 | 115 | 179.3 | -57.9 | 171.8 | 0 | 0 | 0 | 108.6 | V829 N833 | V829-I831 PolarHBondContact O-N 3.23Å; I831-N833 PolarHBondContact O-N 2.93Å | ||
| 832 | D | 40.3 | Very low | 50.7 | Low | 100 Ų | 100 | 107.1 Ų | 107.1 | 54% | 0.535 | 57% | 0.572 | S | S | . | * | trans | -78 | 100.9 | 166.7 | -172.8 | -8.5 | 0 | 0 | 0 | 108.8 | I830 N834 V835 D836 | I830-D832 PolarHBondContact O-N 3.44Å; D832-N834 PolarHBondContact O-N 3.27Å; D832-N834 PolarHBondContact OD1-N 3.02Å; D832-V835 HydrophobicContact CB-CB 4.35Å; D832-V835 HydrophobicContact CB-CG2 4Å; D832-V835 PolarHBondContact O-N 3.04Å; D832-D836 PolarHBondContact O-N 3.26Å | ||
| 833 | N | 46.5 | Very low | 53.5 | Low | 117 Ų | 117 | 103.4 Ų | 103.4 | 63% | 0.626 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -55.5 | -26.5 | -173 | -68.7 | -23 | 0 | 0 | 0 | 113.9 | I831 E837 | I831-N833 PolarHBondContact O-N 2.93Å; N833-E837 PolarHBondContact O-N 3.33Å |
| 834 | N | 51.5 | Low | 56.4 | Low | 120 Ų | 120 | 92.8 Ų | 92.8 | 64% | 0.642 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -79.7 | -32.3 | 179.9 | -73.9 | -26 | 0 | 0 | 0 | 112.9 | D832 D836 | D832-N834 PolarHBondContact O-N 3.27Å; D832-N834 PolarHBondContact OD1-N 3.02Å; N834-D836 PolarHBondContact O-N 2.96Å |
| 835 | V | 52 | Low | 59.5 | Low | 88 Ų | 88 | 91.3 Ų | 91.3 | 53% | 0.533 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.2 | -31.3 | 176.7 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | D832 T839 | D832-V835 HydrophobicContact CB-CB 4.35Å; D832-V835 HydrophobicContact CB-CG2 4Å; D832-V835 PolarHBondContact O-N 3.04Å; V835-T839 VanDerWaalsContact O-CB 3.3Å; V835-T839 WeakPolarHBondContact O-CB 3.13Å; V835-T839 PolarHBondContact O-N 3.5Å; V835-T839 PolarHBondContact O-OG1 3.14Å |
| 836 | D | 67.8 | Low | 62.4 | Low | 47 Ų | 47 | 91.6 Ų | 91.6 | 25% | 0.251 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.2 | -41.6 | 178 | -162 | 15.8 | 0 | 0 | 0 | 112.2 | I816 D832 N834 F838 T839 A840 | I816-D836 HydrophobicContact CD1-CB 4.22Å; I816-D836 WeakPolarHBondContact CD1-OD2 3.26Å; I816-D836 WeakPolarHBondContact CG1-OD2 3.34Å; I816-D836 WeakPolarHBondContact CG2-OD2 3.48Å; D832-D836 PolarHBondContact O-N 3.26Å; N834-D836 PolarHBondContact O-N 2.96Å; D836-F838 PolarHBondContact O-N 3.28Å; D836-T839 PolarHBondContact O-N 2.85Å; D836-A840 WeakPolarHBondContact O-CB 3.45Å; D836-A840 PolarHBondContact O-N 3.3Å |
| 837 | E | 73.1 | Confident | 65.3 | Low | 66 Ų | 66 | 85.3 Ų | 85.3 | 31% | 0.308 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.3 | -48.2 | 179.1 | -75.2 | -170.7 | 177.1 | 0 | 0 | 113.1 | R809 A812 N833 A840 W841 | R809-E837 IonicContact NE-OE2 3.5Å; A812-E837 HydrophobicContact CB-CB 4.42Å; A812-E837 WeakPolarHBondContact CB-O 3.49Å; N833-E837 PolarHBondContact O-N 3.33Å; E837-A840 PolarHBondContact O-N 3.2Å; E837-W841 WeakPolarHBondContact O-CB 3.33Å; E837-W841 PolarHBondContact O-N 3.48Å |
| 838 | F | 78.4 | Confident | 68.2 | Low | 135 Ų | 135 | 79.1 Ų | 79.1 | 59% | 0.592 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.6 | -41.8 | 179.5 | -176.2 | -96.5 | 0 | 0 | 0 | 111.5 | D836 A840 W841 E842 | D836-F838 PolarHBondContact O-N 3.28Å; F838-A840 VanDerWaalsContact C-N 3.32Å; F838-A840 PolarHBondContact O-N 3.1Å; F838-W841 PolarHBondContact O-N 3.13Å; F838-E842 HydrophobicContact CD1-CG 4.28Å; F838-E842 HydrophobicContact CE1-CG 3.79Å; F838-E842 HydrophobicContact CZ-CG 3.99Å; F838-E842 PolarHBondContact O-N 3.09Å |
| 839 | T | 81.5 | Confident | 71.2 | Confident | 58 Ų | 58 | 73.6 Ų | 73.6 | 36% | 0.356 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.4 | -36.5 | 178.6 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | V835 D836 S843 | V835-T839 VanDerWaalsContact O-CB 3.3Å; V835-T839 WeakPolarHBondContact O-CB 3.13Å; V835-T839 PolarHBondContact O-N 3.5Å; V835-T839 PolarHBondContact O-OG1 3.14Å; D836-T839 PolarHBondContact O-N 2.85Å; T839-S843 PolarHBondContact O-N 3.01Å; T839-S843 PolarHBondContact O-OG 2.89Å |
| 840 | A | 83.1 | Confident | 73.9 | Confident | 4 Ų | 4 | 69 Ų | 69 | 3% | 0.033 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68 | -43.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A812 M815 I816 D836 E837 F838 S843 V844 | A812-A840 HydrophobicContact CB-CB 3.87Å; A812-A840 WeakPolarHBondContact O-CB 3.27Å; M815-A840 HydrophobicContact CB-CB 4.16Å; I816-A840 HydrophobicContact CD1-CB 4.35Å; I816-A840 HydrophobicContact CG1-CB 3.79Å; D836-A840 WeakPolarHBondContact O-CB 3.45Å; D836-A840 PolarHBondContact O-N 3.3Å; E837-A840 PolarHBondContact O-N 3.2Å; F838-A840 VanDerWaalsContact C-N 3.32Å; F838-A840 PolarHBondContact O-N 3.1Å; A840-S843 WeakPolarHBondContact O-CB 3.31Å; A840-S843 PolarHBondContact O-N 2.93Å; A840-S843 VanDerWaalsContact O-N 3.13Å; A840-V844 PolarHBondContact O-N 3.12Å |
| 841 | W | 87.1 | Confident | 76.6 | Confident | 19 Ų | 19 | 61.3 Ų | 61.3 | 7% | 0.072 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.8 | -49.1 | 173.5 | 167.9 | -119.2 | 0 | 0 | 0 | 112.6 | I808 L811 E837 F838 S843 V844 R845 L872 | I808-W841 HydrophobicContact CB-CD2 4.46Å; I808-W841 HydrophobicContact CB-CE3 4.44Å; I808-W841 HydrophobicContact CD1-CZ2 4.4Å; I808-W841 HydrophobicContact CG1-CD2 4.15Å; I808-W841 HydrophobicContact CG1-CE3 4.15Å; I808-W841 HydrophobicContact CG1-CH2 4.34Å; I808-W841 HydrophobicContact CG1-CZ2 4.29Å; I808-W841 HydrophobicContact CG1-CZ3 4.26Å; I808-W841 HydrophobicContact CG2-CB 3.85Å; I808-W841 HydrophobicContact CG2-CD2 3.7Å; I808-W841 HydrophobicContact CG2-CE3 3.99Å; I808-W841 HydrophobicContact CG2-CG 3.61Å; L811-W841 HydrophobicContact CD1-CZ3 3.9Å; E837-W841 WeakPolarHBondContact O-CB 3.33Å; E837-W841 PolarHBondContact O-N 3.48Å; F838-W841 PolarHBondContact O-N 3.13Å; W841-S843 PolarHBondContact O-N 2.9Å; W841-V844 HydrophobicContact CE3-CB 4.19Å; W841-V844 HydrophobicContact CE3-CG1 4.45Å; W841-V844 HydrophobicContact CZ3-CB 4.35Å; W841-V844 HydrophobicContact CZ3-CG1 4.15Å; W841-V844 WeakPolarHBondContact O-CB 3.29Å; W841-V844 PolarHBondContact O-N 2.78Å; W841-R845 HydrophobicContact CZ2-CB 4.3Å; W841-R845 HydrophobicContact CZ2-CG 4.26Å; W841-R845 WeakPolarHBondContact O-CB 3.31Å; W841-R845 PolarHBondContact O-N 2.98Å; W841-L872 HydrophobicContact CH2-CB 3.65Å; W841-L872 HydrophobicContact CH2-CD1 3.81Å; W841-L872 HydrophobicContact CH2-CG 4.24Å; W841-L872 HydrophobicContact CZ2-CB 4.43Å; W841-L872 HydrophobicContact CZ3-CB 4.34Å; W841-L872 HydrophobicContact CZ3-CD1 3.9Å |
| 842 | E | 86.8 | Confident | 79.3 | Confident | 75 Ų | 75 | 57.2 Ų | 57.2 | 35% | 0.35 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.6 | -30.8 | 177 | -77.5 | -62 | 143.2 | 0 | 0 | 112.2 | F838 R845 K846 | F838-E842 HydrophobicContact CD1-CG 4.28Å; F838-E842 HydrophobicContact CE1-CG 3.79Å; F838-E842 HydrophobicContact CZ-CG 3.99Å; F838-E842 PolarHBondContact O-N 3.09Å; E842-R845 IonicContact OE1-NH1 3.53Å; E842-K846 WeakPolarHBondContact O-CB 3.43Å; E842-K846 PolarHBondContact O-N 3.4Å |
| 843 | S | 86.8 | Confident | 81.7 | Confident | 27 Ų | 27 | 57.2 Ų | 57.2 | 19% | 0.189 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.7 | -41.7 | 174.4 | -52.4 | 0 | 0 | 0 | 0 | 111.9 | K819 T839 A840 W841 K846 I847 | K819-S843 WeakPolarHBondContact CE-OG 3.44Å; K819-S843 PolarHBondContact NZ-OG 2.71Å; T839-S843 PolarHBondContact O-N 3.01Å; T839-S843 PolarHBondContact O-OG 2.89Å; A840-S843 WeakPolarHBondContact O-CB 3.31Å; A840-S843 PolarHBondContact O-N 2.93Å; A840-S843 VanDerWaalsContact O-N 3.13Å; W841-S843 PolarHBondContact O-N 2.9Å; S843-K846 PolarHBondContact O-N 2.67Å; S843-I847 WeakPolarHBondContact O-CG1 3.28Å; S843-I847 PolarHBondContact O-N 3.12Å |
| 844 | V | 90.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 172.7 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | L756 L811 M815 A840 W841 K846 I847 I848 | L756-V844 HydrophobicContact CD1-CG2 4.03Å; L756-V844 HydrophobicContact CD2-CG1 4.07Å; L811-V844 HydrophobicContact CB-CG1 4.4Å; L811-V844 HydrophobicContact CB-CG2 4.25Å; L811-V844 HydrophobicContact CD1-CG1 4.19Å; L811-V844 HydrophobicContact CD2-CG1 4.25Å; M815-V844 HydrophobicContact CB-CG2 4.34Å; M815-V844 HydrophobicContact CE-CG2 4.41Å; M815-V844 HydrophobicContact CG-CG2 3.19Å; M815-V844 HydrophobicContact SD-CG2 4.17Å; A840-V844 PolarHBondContact O-N 3.12Å; W841-V844 HydrophobicContact CE3-CB 4.19Å; W841-V844 HydrophobicContact CE3-CG1 4.45Å; W841-V844 HydrophobicContact CZ3-CB 4.35Å; W841-V844 HydrophobicContact CZ3-CG1 4.15Å; W841-V844 WeakPolarHBondContact O-CB 3.29Å; W841-V844 PolarHBondContact O-N 2.78Å; V844-K846 VanDerWaalsContact C-N 3.27Å; V844-K846 PolarHBondContact O-N 2.72Å; V844-I847 WeakPolarHBondContact O-CB 3.47Å; V844-I847 PolarHBondContact O-N 2.99Å; V844-I848 HydrophobicContact CG1-CD1 3.81Å; V844-I848 HydrophobicContact CG1-CG1 4.3Å; V844-I848 WeakPolarHBondContact O-CG1 3.46Å; V844-I848 PolarHBondContact O-N 2.92Å |
| 845 | R | 91.3 | Very high | 84.5 | Confident | 79 Ų | 79 | 48.5 Ų | 48.5 | 30% | 0.298 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.9 | -40 | 180 | -163.5 | 179.3 | -168.4 | -160.9 | 2.7 | 111.4 | W841 E842 I848 N849 L869 E873 | W841-R845 HydrophobicContact CZ2-CB 4.3Å; W841-R845 HydrophobicContact CZ2-CG 4.26Å; W841-R845 WeakPolarHBondContact O-CB 3.31Å; W841-R845 PolarHBondContact O-N 2.98Å; E842-R845 IonicContact OE1-NH1 3.53Å; R845-I848 PolarHBondContact O-N 2.89Å; R845-N849 VanDerWaalsContact O-CB 3.28Å; R845-N849 WeakPolarHBondContact O-CB 3.29Å; R845-N849 PolarHBondContact O-N 2.96Å; R845-N849 PolarHBondContact O-ND2 3.41Å; R845-L869 HydrophobicContact CG-CD1 4.27Å; R845-E873 IonicContact CZ-OE1 3.47Å; R845-E873 IonicContact NE-OE1 3.61Å; R845-E873 PolarHBondContact NE-OE1 2.83Å; R845-E873 VanDerWaalsContact NH2-CD 3.28Å; R845-E873 IonicContact NH2-OE1 2.96Å; R845-E873 PolarHBondContact NH2-OE1 3.36Å; R845-E873 IonicContact NH2-OE2 3.88Å |
| 846 | K | 91 | Very high | 85.6 | Confident | 145 Ų | 145 | 47.3 Ų | 47.3 | 63% | 0.63 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.6 | -42.2 | 173.3 | -172.8 | -179 | 178.7 | -174.1 | 0 | 112.5 | L763 E842 S843 V844 Y850 | L763-K846 HydrophobicContact CD2-CD 4.47Å; L763-K846 HydrophobicContact CD2-CG 4.27Å; E842-K846 WeakPolarHBondContact O-CB 3.43Å; E842-K846 PolarHBondContact O-N 3.4Å; S843-K846 PolarHBondContact O-N 2.67Å; V844-K846 VanDerWaalsContact C-N 3.27Å; V844-K846 PolarHBondContact O-N 2.72Å; K846-Y850 WeakPolarHBondContact O-CB 3.36Å; K846-Y850 PolarHBondContact O-N 3.38Å |
| 847 | I | 92.2 | Very high | 86.2 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.3 | -51.3 | 176.5 | -65.2 | 165.4 | 0 | 0 | 0 | 110.2 | L759 L763 M815 S843 V844 N849 Y850 W851 | L759-I847 HydrophobicContact CB-CG2 3.84Å; L763-I847 HydrophobicContact CD1-CB 4.45Å; L763-I847 HydrophobicContact CD1-CG1 4.17Å; L763-I847 HydrophobicContact CD1-CG2 4.32Å; L763-I847 HydrophobicContact CD2-CB 4.46Å; L763-I847 HydrophobicContact CD2-CG1 3.68Å; M815-I847 HydrophobicContact CE-CD1 3.36Å; M815-I847 HydrophobicContact SD-CD1 4.41Å; S843-I847 WeakPolarHBondContact O-CG1 3.28Å; S843-I847 PolarHBondContact O-N 3.12Å; V844-I847 WeakPolarHBondContact O-CB 3.47Å; V844-I847 PolarHBondContact O-N 2.99Å; I847-N849 PolarHBondContact O-N 3.48Å; I847-Y850 WeakPolarHBondContact O-CB 3.33Å; I847-Y850 PolarHBondContact O-N 3.2Å; I847-W851 PolarHBondContact O-N 2.86Å |
| 848 | I | 93.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.3 | -47 | -179 | -61.6 | 172.5 | 0 | 0 | 0 | 110.4 | F782 V844 R845 Y850 W851 I852 A865 L868 L869 L872 | F782-I848 HydrophobicContact CE1-CG1 4.4Å; V844-I848 HydrophobicContact CG1-CD1 3.81Å; V844-I848 HydrophobicContact CG1-CG1 4.3Å; V844-I848 WeakPolarHBondContact O-CG1 3.46Å; V844-I848 PolarHBondContact O-N 2.92Å; R845-I848 PolarHBondContact O-N 2.89Å; I848-Y850 VanDerWaalsContact C-N 3.33Å; I848-Y850 PolarHBondContact O-N 2.7Å; I848-W851 PolarHBondContact O-N 3.31Å; I848-W851 VanDerWaalsContact O-N 3.15Å; I848-I852 HydrophobicContact CG2-CD1 3.72Å; I848-I852 HydrophobicContact CG2-CG1 4.4Å; I848-I852 WeakPolarHBondContact O-CG1 3.24Å; I848-I852 PolarHBondContact O-N 3.35Å; I848-A865 HydrophobicContact CG2-CB 4.45Å; I848-L868 HydrophobicContact CD1-CD2 4.01Å; I848-L868 HydrophobicContact CD1-CG 4.28Å; I848-L868 HydrophobicContact CG1-CD2 4.45Å; I848-L869 HydrophobicContact CG2-CB 3.89Å; I848-L869 HydrophobicContact CG2-CD1 4.1Å; I848-L869 HydrophobicContact CG2-CG 4.43Å; I848-L872 HydrophobicContact CD1-CD1 3.78Å |
| 849 | N | 93.4 | Very high | 86.8 | Confident | 54 Ų | 54 | 39.3 Ų | 39.3 | 29% | 0.289 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63 | -35.4 | 178.5 | -82.1 | -37.1 | 0 | 0 | 0 | 113.2 | R845 I847 W851 I852 T853 L869 | R845-N849 VanDerWaalsContact O-CB 3.28Å; R845-N849 WeakPolarHBondContact O-CB 3.29Å; R845-N849 PolarHBondContact O-N 2.96Å; R845-N849 PolarHBondContact O-ND2 3.41Å; I847-N849 PolarHBondContact O-N 3.48Å; N849-W851 VanDerWaalsContact C-N 3.32Å; N849-W851 PolarHBondContact O-N 3.29Å; N849-I852 PolarHBondContact O-N 2.78Å; N849-T853 WeakPolarHBondContact O-CB 3.48Å; N849-T853 WeakPolarHBondContact O-CG2 3.02Å; N849-T853 PolarHBondContact O-N 2.63Å; N849-T853 PolarHBondContact O-OG1 3.01Å; N849-L869 WeakPolarHBondContact OD1-CD2 3.23Å |
| 850 | Y | 92.7 | Very high | 86.9 | Confident | 28 Ų | 28 | 39.6 Ų | 39.6 | 11% | 0.11 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.9 | -47 | 173.2 | 169.7 | -90.9 | 0 | 0 | 0 | 111.2 | A762 L763 G766 G769 V770 K846 I847 I848 I852 T854 | A762-Y850 HydrophobicContact CB-CE1 3.66Å; A762-Y850 PolarHBondContact O-OH 2.81Å; L763-Y850 HydrophobicContact CD1-CD1 3.7Å; L763-Y850 HydrophobicContact CD1-CD2 4.47Å; L763-Y850 HydrophobicContact CD1-CE1 4.29Å; L763-Y850 HydrophobicContact CD1-CG 3.82Å; L763-Y850 HydrophobicContact CG-CD1 4.38Å; L763-Y850 HydrophobicContact CG-CD2 4.29Å; L763-Y850 HydrophobicContact CG-CG 4.03Å; G766-Y850 VanDerWaalsContact O-CE2 3.3Å; G766-Y850 WeakPolarHBondContact O-CE2 3.42Å; G766-Y850 PolarHBondContact O-OH 3.28Å; G769-Y850 WeakPolarHBondContact CA-OH 3.38Å; V770-Y850 HydrophobicContact CG2-CE1 4.02Å; V770-Y850 PolarHBondContact N-OH 3.14Å; V770-Y850 VanDerWaalsContact N-OH 3.17Å; K846-Y850 WeakPolarHBondContact O-CB 3.36Å; K846-Y850 PolarHBondContact O-N 3.38Å; I847-Y850 WeakPolarHBondContact O-CB 3.33Å; I847-Y850 PolarHBondContact O-N 3.2Å; I848-Y850 VanDerWaalsContact C-N 3.33Å; I848-Y850 PolarHBondContact O-N 2.7Å; Y850-I852 VanDerWaalsContact C-N 3.33Å; Y850-I852 PolarHBondContact O-N 3.49Å; Y850-T854 WeakPolarHBondContact O-CB 3.44Å; Y850-T854 PolarHBondContact O-N 3.3Å; Y850-T854 PolarHBondContact O-OG1 3.35Å |
| 851 | W | 93.4 | Very high | 87.3 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -71.6 | -24.8 | 179 | -71.1 | 102.4 | 0 | 0 | 0 | 113.7 | L759 A762 V770 L773 V778 F782 I847 I848 N849 V857 V861 A865 | L759-W851 HydrophobicContact CD2-CZ2 4.25Å; L759-W851 PolarHBondContact O-NE1 3.12Å; A762-W851 HydrophobicContact CB-CH2 3.96Å; A762-W851 HydrophobicContact CB-CZ2 3.41Å; A762-W851 VanDerWaalsContact CB-CZ2 3.41Å; V770-W851 HydrophobicContact CB-CZ3 4.29Å; V770-W851 HydrophobicContact CG1-CZ3 3.95Å; V770-W851 HydrophobicContact CG2-CZ3 4.19Å; L773-W851 HydrophobicContact CB-CH2 4.23Å; L773-W851 HydrophobicContact CD1-CH2 3.97Å; L773-W851 HydrophobicContact CD1-CZ2 3.71Å; V778-W851 HydrophobicContact CB-CH2 4.47Å; V778-W851 HydrophobicContact CB-CZ3 4.36Å; V778-W851 HydrophobicContact CG1-CD2 4.02Å; V778-W851 HydrophobicContact CG1-CE3 3.72Å; V778-W851 HydrophobicContact CG1-CH2 3.99Å; V778-W851 HydrophobicContact CG1-CZ2 4.26Å; V778-W851 HydrophobicContact CG1-CZ3 3.69Å; V778-W851 HydrophobicContact CG2-CH2 3.61Å; V778-W851 HydrophobicContact CG2-CZ2 4.21Å; V778-W851 HydrophobicContact CG2-CZ3 3.88Å; F782-W851 HydrophobicContact CE2-CB 3.88Å; F782-W851 HydrophobicContact CE2-CD2 4.23Å; F782-W851 AromaticContact CE2-CG 3.79Å; F782-W851 HydrophobicContact CE2-CG 3.79Å; F782-W851 HydrophobicContact CZ-CB 3.66Å; F782-W851 AromaticContact CZ-CD1 3.62Å; F782-W851 HydrophobicContact CZ-CD2 4.49Å; F782-W851 AromaticContact CZ-CG 3.64Å; F782-W851 HydrophobicContact CZ-CG 3.64Å; I847-W851 PolarHBondContact O-N 2.86Å; I848-W851 PolarHBondContact O-N 3.31Å; I848-W851 VanDerWaalsContact O-N 3.15Å; N849-W851 VanDerWaalsContact C-N 3.32Å; N849-W851 PolarHBondContact O-N 3.29Å; W851-V857 HydrophobicContact CE3-CG1 4.2Å; W851-V857 HydrophobicContact CE3-CG2 3.86Å; W851-V857 HydrophobicContact CZ3-CG2 4.38Å; W851-V857 WeakPolarHBondContact O-CG1 3.42Å; W851-V857 WeakPolarHBondContact O-CG2 3.44Å; W851-V861 HydrophobicContact CE3-CG1 4.04Å; W851-A865 HydrophobicContact CB-CB 4.34Å |
| 852 | I | 92.8 | Very high | 87.5 | Confident | 30 Ų | 30 | 41.6 Ų | 41.6 | 15% | 0.154 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -77.2 | -47.7 | 175 | -67.1 | 168.8 | 0 | 0 | 0 | 111.1 | I848 N849 Y850 R862 A865 L869 | I848-I852 HydrophobicContact CG2-CD1 3.72Å; I848-I852 HydrophobicContact CG2-CG1 4.4Å; I848-I852 WeakPolarHBondContact O-CG1 3.24Å; I848-I852 PolarHBondContact O-N 3.35Å; N849-I852 PolarHBondContact O-N 2.78Å; Y850-I852 VanDerWaalsContact C-N 3.33Å; Y850-I852 PolarHBondContact O-N 3.49Å; I852-R862 WeakPolarHBondContact O-CD 3.33Å; I852-R862 WeakPolarHBondContact O-CG 3.15Å; I852-R862 PolarHBondContact O-NE 2.84Å; I852-R862 VanDerWaalsContact O-NE 3.08Å; I852-A865 HydrophobicContact CD1-CB 4.44Å; I852-A865 HydrophobicContact CG1-CB 3.76Å; I852-L869 HydrophobicContact CD1-CB 3.94Å; I852-L869 HydrophobicContact CD1-CD2 3.62Å; I852-L869 HydrophobicContact CD1-CG 4.41Å |
| 853 | T | 89.3 | Confident | 87.6 | Confident | 100 Ų | 100 | 39.8 Ų | 39.8 | 61% | 0.613 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -91.2 | -18.3 | -166.2 | 59.4 | 0 | 0 | 0 | 0 | 114 | N849 P855 | N849-T853 WeakPolarHBondContact O-CB 3.48Å; N849-T853 WeakPolarHBondContact O-CG2 3.02Å; N849-T853 PolarHBondContact O-N 2.63Å; N849-T853 PolarHBondContact O-OG1 3.01Å; T853-P855 WeakPolarHBondContact O-CD 3.44Å |
| 854 | T | 84 | Confident | 87.9 | Confident | 9 Ų | 9 | 38.5 Ų | 38.5 | 6% | 0.055 | 21% | 0.206 | C | C | . | . | trans | -70 | 123.5 | 179.2 | -59.3 | 0 | 0 | 0 | 0 | 110.4 | C767 V770 Y850 T856 V857 R862 | C767-T854 HydrophobicContact CB-CG2 4.03Å; V770-T854 HydrophobicContact CG2-CG2 3.57Å; Y850-T854 WeakPolarHBondContact O-CB 3.44Å; Y850-T854 PolarHBondContact O-N 3.3Å; Y850-T854 PolarHBondContact O-OG1 3.35Å; T854-T856 VanDerWaalsContact C-N 3.3Å; T854-T856 WeakPolarHBondContact CG2-OG1 3.4Å; T854-T856 PolarHBondContact O-N 2.87Å; T854-V857 HydrophobicContact CG2-CG2 4.38Å; T854-V857 PolarHBondContact O-N 3.33Å; T854-R862 PolarHBondContact O-NH2 3.16Å | ||
| 855 | P | 74.2 | Confident | 88.1 | Confident | 46 Ų | 46 | 38.5 Ų | 38.5 | 30% | 0.299 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -34.7 | -173.2 | -28.6 | 36.4 | 0 | 0 | 0 | 114.9 | D49 T853 V857 R862 | D49-P855 HydrophobicContact CB-CB 3.81Å; D49-P855 HydrophobicContact CB-CG 4.4Å; D49-P855 WeakPolarHBondContact OD2-CB 3.45Å; T853-P855 WeakPolarHBondContact O-CD 3.44Å; P855-V857 PolarHBondContact O-N 3.42Å; P855-R862 PolarHBondContact O-NH2 3.16Å |
| 856 | T | 75.6 | Confident | 88.2 | Confident | 62 Ų | 62 | 36.8 Ų | 36.8 | 38% | 0.38 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -7.3 | -176.4 | 52.1 | 0 | 0 | 0 | 0 | 114.1 | C767 T854 | C767-T856 PolarHBondContact O-OG1 3.4Å; C767-T856 VanDerWaalsContact O-OG1 3.13Å; T854-T856 VanDerWaalsContact C-N 3.3Å; T854-T856 WeakPolarHBondContact CG2-OG1 3.4Å; T854-T856 PolarHBondContact O-N 2.87Å |
| 857 | V | 79.3 | Confident | 88.3 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -71.1 | 133.8 | 177.2 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | V770 W851 T854 P855 V861 R862 | V770-V857 HydrophobicContact CB-CG2 4.31Å; V770-V857 HydrophobicContact CG1-CB 4.44Å; V770-V857 HydrophobicContact CG1-CG2 3.79Å; V770-V857 HydrophobicContact CG2-CG2 3.47Å; V770-V857 VanDerWaalsContact CG2-CG2 3.47Å; W851-V857 HydrophobicContact CE3-CG1 4.2Å; W851-V857 HydrophobicContact CE3-CG2 3.86Å; W851-V857 HydrophobicContact CZ3-CG2 4.38Å; W851-V857 WeakPolarHBondContact O-CG1 3.42Å; W851-V857 WeakPolarHBondContact O-CG2 3.44Å; T854-V857 HydrophobicContact CG2-CG2 4.38Å; T854-V857 PolarHBondContact O-N 3.33Å; P855-V857 PolarHBondContact O-N 3.42Å; V857-V861 HydrophobicContact CG1-CB 3.72Å; V857-V861 HydrophobicContact CG1-CG1 3.5Å; V857-V861 VanDerWaalsContact CG1-CG1 3.5Å; V857-R862 HydrophobicContact CG1-CB 4.31Å; V857-R862 PolarHBondContact O-NH1 2.8Å; V857-R862 PolarHBondContact O-NH2 3.33Å |
| 858 | C | 80.7 | Confident | 88.3 | Confident | 22 Ų | 22 | 32 Ų | 32 | 15% | 0.149 | 19% | 0.186 | C | C | . | . | trans | -63.8 | 147.6 | 175.6 | 53.5 | 0 | 0 | 0 | 0 | 111.9 | N860 V861 R862 | C858-N860 VanDerWaalsContact C-N 3.31Å; C858-N860 WeakPolarHBondContact CB-OD1 3.49Å; C858-N860 PolarHBondContact O-N 3.39Å; C858-N860 PolarHBondContact SG-OD1 2.99Å; C858-V861 PolarHBondContact O-N 3.48Å; C858-V861 WeakPolarHBondContact SG-CG2 3.39Å; C858-R862 PolarHBondContact O-N 3.44Å | ||
| 859 | S | 83.2 | Confident | 88.3 | Confident | 58 Ų | 58 | 32.9 Ų | 32.9 | 41% | 0.406 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -57.3 | -39.1 | -171 | 56.8 | 0 | 0 | 0 | 0 | 113.7 | R862 A863 | S859-R862 PolarHBondContact O-N 2.87Å; S859-A863 VanDerWaalsContact O-CB 3.28Å; S859-A863 WeakPolarHBondContact O-CB 3.36Å; S859-A863 PolarHBondContact O-N 3Å |
| 860 | N | 84.2 | Confident | 88.1 | Confident | 64 Ų | 64 | 34.2 Ų | 34.2 | 34% | 0.342 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.9 | -45.7 | 177.8 | 62.8 | -19.3 | 0 | 0 | 0 | 113 | C858 A863 C864 | C858-N860 VanDerWaalsContact C-N 3.31Å; C858-N860 WeakPolarHBondContact CB-OD1 3.49Å; C858-N860 PolarHBondContact O-N 3.39Å; C858-N860 PolarHBondContact SG-OD1 2.99Å; N860-A863 PolarHBondContact O-N 2.86Å; N860-C864 WeakPolarHBondContact O-CB 3.31Å; N860-C864 PolarHBondContact O-N 3.38Å |
| 861 | V | 90.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.3 | -45.7 | 176.6 | 168 | 0 | 0 | 0 | 0 | 110 | P775 V778 N779 F782 W851 V857 C858 A863 C864 A865 | P775-V861 WeakPolarHBondContact O-CG2 3.44Å; V778-V861 HydrophobicContact CB-CG1 4.43Å; V778-V861 HydrophobicContact CB-CG2 4.2Å; V778-V861 HydrophobicContact CG1-CB 4.47Å; V778-V861 HydrophobicContact CG1-CG1 3.48Å; V778-V861 VanDerWaalsContact CG1-CG1 3.48Å; V778-V861 HydrophobicContact CG1-CG2 4.09Å; N779-V861 HydrophobicContact CB-CG2 3.87Å; F782-V861 HydrophobicContact CD2-CG1 4.13Å; F782-V861 HydrophobicContact CE2-CG1 3.95Å; W851-V861 HydrophobicContact CE3-CG1 4.04Å; V857-V861 HydrophobicContact CG1-CB 3.72Å; V857-V861 HydrophobicContact CG1-CG1 3.5Å; V857-V861 VanDerWaalsContact CG1-CG1 3.5Å; C858-V861 PolarHBondContact O-N 3.48Å; C858-V861 WeakPolarHBondContact SG-CG2 3.39Å; V861-A863 VanDerWaalsContact C-N 3.32Å; V861-A863 PolarHBondContact O-N 2.96Å; V861-C864 PolarHBondContact O-N 3.16Å; V861-A865 WeakPolarHBondContact O-CB 3.48Å; V861-A865 PolarHBondContact O-N 3.32Å |
| 862 | R | 91.6 | Very high | 87.5 | Confident | 63 Ų | 63 | 34.6 Ų | 34.6 | 24% | 0.238 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.1 | -46 | 177 | -177.9 | 179.5 | -62.9 | 120.8 | 2.9 | 111.2 | I852 T854 P855 V857 C858 S859 S866 | I852-R862 WeakPolarHBondContact O-CD 3.33Å; I852-R862 WeakPolarHBondContact O-CG 3.15Å; I852-R862 PolarHBondContact O-NE 2.84Å; I852-R862 VanDerWaalsContact O-NE 3.08Å; T854-R862 PolarHBondContact O-NH2 3.16Å; P855-R862 PolarHBondContact O-NH2 3.16Å; V857-R862 HydrophobicContact CG1-CB 4.31Å; V857-R862 PolarHBondContact O-NH1 2.8Å; V857-R862 PolarHBondContact O-NH2 3.33Å; C858-R862 PolarHBondContact O-N 3.44Å; S859-R862 PolarHBondContact O-N 2.87Å; R862-S866 VanDerWaalsContact O-CB 3.28Å; R862-S866 WeakPolarHBondContact O-CB 3.42Å; R862-S866 PolarHBondContact O-N 3.43Å; R862-S866 PolarHBondContact O-OG 3.08Å |
| 863 | A | 90 | Very high | 87.2 | Confident | 38 Ų | 38 | 37.9 Ų | 37.9 | 31% | 0.314 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65 | -42.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y521 S859 N860 V861 S866 Q867 | Y521-A863 HydrophobicContact CE2-CB 3.88Å; Y521-A863 VanDerWaalsContact OH-CB 3.3Å; Y521-A863 WeakPolarHBondContact OH-CB 3.39Å; S859-A863 VanDerWaalsContact O-CB 3.28Å; S859-A863 WeakPolarHBondContact O-CB 3.36Å; S859-A863 PolarHBondContact O-N 3Å; N860-A863 PolarHBondContact O-N 2.86Å; V861-A863 VanDerWaalsContact C-N 3.32Å; V861-A863 PolarHBondContact O-N 2.96Å; A863-S866 PolarHBondContact O-N 3.48Å; A863-Q867 PolarHBondContact O-N 3.34Å |
| 864 | C | 92.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.8 | -46.1 | 176.6 | -170.3 | 0 | 0 | 0 | 0 | 112 | Y521 F782 N860 V861 S866 Q867 L868 | Y521-C864 HydrophobicContact CD1-CB 3.88Å; Y521-C864 HydrophobicContact CD2-CB 4.21Å; Y521-C864 HydrophobicContact CE1-CB 4.16Å; Y521-C864 HydrophobicContact CE2-CB 4.48Å; Y521-C864 HydrophobicContact CG-CB 3.91Å; F782-C864 HydrophobicContact CB-CB 4.45Å; N860-C864 WeakPolarHBondContact O-CB 3.31Å; N860-C864 PolarHBondContact O-N 3.38Å; V861-C864 PolarHBondContact O-N 3.16Å; C864-S866 PolarHBondContact O-N 3.28Å; C864-Q867 PolarHBondContact O-N 2.8Å; C864-L868 PolarHBondContact O-N 2.95Å |
| 865 | A | 93.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.2 | -39.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F782 I848 W851 I852 V861 L868 L869 | F782-A865 HydrophobicContact CD1-CB 4.22Å; F782-A865 HydrophobicContact CD2-CB 4.3Å; F782-A865 HydrophobicContact CE1-CB 3.87Å; F782-A865 HydrophobicContact CE2-CB 3.95Å; F782-A865 HydrophobicContact CG-CB 4.43Å; F782-A865 HydrophobicContact CZ-CB 3.72Å; I848-A865 HydrophobicContact CG2-CB 4.45Å; W851-A865 HydrophobicContact CB-CB 4.34Å; I852-A865 HydrophobicContact CD1-CB 4.44Å; I852-A865 HydrophobicContact CG1-CB 3.76Å; V861-A865 WeakPolarHBondContact O-CB 3.48Å; V861-A865 PolarHBondContact O-N 3.32Å; A865-L868 WeakPolarHBondContact O-CB 3.43Å; A865-L868 PolarHBondContact O-N 3.48Å; A865-L869 PolarHBondContact O-N 2.94Å |
| 866 | S | 93.5 | Very high | 88 | Confident | 43 Ų | 43 | 35.6 Ų | 35.6 | 30% | 0.301 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.4 | -42 | 176.3 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | R862 A863 C864 L868 L869 S870 | R862-S866 VanDerWaalsContact O-CB 3.28Å; R862-S866 WeakPolarHBondContact O-CB 3.42Å; R862-S866 PolarHBondContact O-N 3.43Å; R862-S866 PolarHBondContact O-OG 3.08Å; A863-S866 PolarHBondContact O-N 3.48Å; C864-S866 PolarHBondContact O-N 3.28Å; S866-L868 VanDerWaalsContact C-N 3.27Å; S866-L868 PolarHBondContact O-N 2.92Å; S866-L869 PolarHBondContact O-N 3.36Å; S866-S870 WeakPolarHBondContact O-CB 3.46Å; S866-S870 PolarHBondContact O-N 2.85Å |
| 867 | Q | 93.4 | Very high | 88.7 | Confident | 47 Ų | 47 | 34.1 Ų | 34.1 | 22% | 0.22 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.9 | -39.3 | 173.8 | -164.3 | -169.7 | 18.4 | 0 | 0 | 110.6 | S520 Y521 F522 A863 C864 S870 I871 | S520-Q867 PolarHBondContact OG-NE2 2.77Å; Y521-Q867 HydrophobicContact CD2-CB 4.45Å; Y521-Q867 VanDerWaalsContact CD2-OE1 3.29Å; F522-Q867 HydrophobicContact CE2-CB 4.42Å; F522-Q867 HydrophobicContact CE2-CG 3.86Å; F522-Q867 HydrophobicContact CZ-CB 3.83Å; F522-Q867 HydrophobicContact CZ-CG 3.78Å; A863-Q867 PolarHBondContact O-N 3.34Å; C864-Q867 PolarHBondContact O-N 2.8Å; Q867-S870 PolarHBondContact O-N 3.2Å; Q867-I871 PolarHBondContact O-N 2.81Å |
| 868 | L | 93.1 | Very high | 89.3 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.7 | -45.3 | 179.2 | 177.6 | 63.6 | 0 | 0 | 0 | 110.4 | F522 F782 I785 L789 I848 C864 A865 S866 S870 I871 L872 | F522-L868 HydrophobicContact CE1-CB 4.1Å; F522-L868 HydrophobicContact CZ-CB 3.99Å; F522-L868 HydrophobicContact CZ-CD1 4.48Å; F782-L868 HydrophobicContact CD1-CD2 3.75Å; F782-L868 HydrophobicContact CE1-CD2 4.24Å; I785-L868 HydrophobicContact CB-CD2 4.27Å; I785-L868 HydrophobicContact CG2-CD1 4.13Å; I785-L868 HydrophobicContact CG2-CD2 3.76Å; L789-L868 HydrophobicContact CD1-CD1 3.81Å; I848-L868 HydrophobicContact CD1-CD2 4.01Å; I848-L868 HydrophobicContact CD1-CG 4.28Å; I848-L868 HydrophobicContact CG1-CD2 4.45Å; C864-L868 PolarHBondContact O-N 2.95Å; A865-L868 WeakPolarHBondContact O-CB 3.43Å; A865-L868 PolarHBondContact O-N 3.48Å; S866-L868 VanDerWaalsContact C-N 3.27Å; S866-L868 PolarHBondContact O-N 2.92Å; L868-S870 VanDerWaalsContact C-N 3.31Å; L868-S870 PolarHBondContact O-N 3.27Å; L868-I871 PolarHBondContact O-N 3.36Å; L868-L872 HydrophobicContact CD1-CD1 4.28Å; L868-L872 HydrophobicContact CG-CD1 4.11Å; L868-L872 WeakPolarHBondContact O-CD1 3.45Å; L868-L872 VanDerWaalsContact O-CG 3.3Å; L868-L872 WeakPolarHBondContact O-CG 3.27Å; L868-L872 PolarHBondContact O-N 3.29Å |
| 869 | L | 92.7 | Very high | 89.9 | Confident | 19 Ų | 19 | 37.1 Ų | 37.1 | 10% | 0.099 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59 | -43.9 | 176.2 | -167.7 | 63 | 0 | 0 | 0 | 111.5 | R845 I848 N849 I852 A865 S866 I871 L872 E873 | R845-L869 HydrophobicContact CG-CD1 4.27Å; I848-L869 HydrophobicContact CG2-CB 3.89Å; I848-L869 HydrophobicContact CG2-CD1 4.1Å; I848-L869 HydrophobicContact CG2-CG 4.43Å; N849-L869 WeakPolarHBondContact OD1-CD2 3.23Å; I852-L869 HydrophobicContact CD1-CB 3.94Å; I852-L869 HydrophobicContact CD1-CD2 3.62Å; I852-L869 HydrophobicContact CD1-CG 4.41Å; A865-L869 PolarHBondContact O-N 2.94Å; S866-L869 PolarHBondContact O-N 3.36Å; L869-I871 PolarHBondContact O-N 3.23Å; L869-L872 WeakPolarHBondContact O-CB 3.41Å; L869-L872 PolarHBondContact O-N 3.26Å; L869-E873 HydrophobicContact CD1-CG 4.19Å; L869-E873 WeakPolarHBondContact CD1-OE1 3.18Å; L869-E873 HydrophobicContact CG-CG 4.27Å; L869-E873 PolarHBondContact O-N 2.67Å |
| 870 | S | 90 | Very high | 90.4 | Very high | 82 Ų | 82 | 35.6 Ų | 35.6 | 57% | 0.573 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -64.9 | -19.9 | 179 | -179.2 | 0 | 0 | 0 | 0 | 114.8 | S866 Q867 L868 E873 | S866-S870 WeakPolarHBondContact O-CB 3.46Å; S866-S870 PolarHBondContact O-N 2.85Å; Q867-S870 PolarHBondContact O-N 3.2Å; L868-S870 VanDerWaalsContact C-N 3.31Å; L868-S870 PolarHBondContact O-N 3.27Å; S870-E873 VanDerWaalsContact O-OXT 3.07Å |
| 871 | I | 86.9 | Confident | 90.8 | Very high | 36 Ų | 36 | 33.4 Ų | 33.4 | 19% | 0.185 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -86.3 | -17.9 | 175.5 | -72.2 | -166.4 | 0 | 0 | 0 | 111.7 | F522 L790 R807 Q867 L868 L869 | F522-I871 HydrophobicContact CD2-CD1 3.98Å; F522-I871 HydrophobicContact CE2-CD1 3.37Å; F522-I871 HydrophobicContact CE2-CG1 4.32Å; F522-I871 HydrophobicContact CZ-CD1 4.39Å; L790-I871 HydrophobicContact CD1-CD1 4.33Å; L790-I871 HydrophobicContact CD2-CD1 4.2Å; L790-I871 HydrophobicContact CD2-CG2 4.1Å; R807-I871 PolarHBondContact NH1-O 3.42Å; R807-I871 VanDerWaalsContact NH1-O 3.14Å; Q867-I871 PolarHBondContact O-N 2.81Å; L868-I871 PolarHBondContact O-N 3.36Å; L869-I871 PolarHBondContact O-N 3.23Å |
| 872 | L | 87.2 | Confident | 90.9 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -95.3 | -37 | -178.7 | -62.3 | 168.7 | 0 | 0 | 0 | 111.9 | L789 R807 L811 W841 I848 L868 L869 | L789-L872 HydrophobicContact CD1-CD2 4.21Å; R807-L872 HydrophobicContact CB-CD2 3.68Å; L811-L872 HydrophobicContact CD1-CD1 3.48Å; L811-L872 VanDerWaalsContact CD1-CD1 3.48Å; L811-L872 HydrophobicContact CD1-CD2 3.43Å; L811-L872 VanDerWaalsContact CD1-CD2 3.43Å; L811-L872 HydrophobicContact CD1-CG 4.09Å; W841-L872 HydrophobicContact CH2-CB 3.65Å; W841-L872 HydrophobicContact CH2-CD1 3.81Å; W841-L872 HydrophobicContact CH2-CG 4.24Å; W841-L872 HydrophobicContact CZ2-CB 4.43Å; W841-L872 HydrophobicContact CZ3-CB 4.34Å; W841-L872 HydrophobicContact CZ3-CD1 3.9Å; I848-L872 HydrophobicContact CD1-CD1 3.78Å; L868-L872 HydrophobicContact CD1-CD1 4.28Å; L868-L872 HydrophobicContact CG-CD1 4.11Å; L868-L872 WeakPolarHBondContact O-CD1 3.45Å; L868-L872 VanDerWaalsContact O-CG 3.3Å; L868-L872 WeakPolarHBondContact O-CG 3.27Å; L868-L872 PolarHBondContact O-N 3.29Å; L869-L872 WeakPolarHBondContact O-CB 3.41Å; L869-L872 PolarHBondContact O-N 3.26Å |
| 873 | E | 85.6 | Confident | 90.8 | Very high | 100 Ų | 100 | 33.6 Ų | 33.6 | 47% | 0.467 | 20% | 0.199 | S | C | . | . | trans | -89.4 | 0 | 173.7 | -60.4 | -175 | 177.4 | 0 | 0 | 111.4 | K804 R845 L869 S870 | K804-E873 WeakPolarHBondContact CE-OXT 3.43Å; K804-E873 PolarHBondContact NZ-O 3.07Å; K804-E873 PolarHBondContact NZ-OXT 3.28Å; R845-E873 IonicContact CZ-OE1 3.47Å; R845-E873 IonicContact NE-OE1 3.61Å; R845-E873 PolarHBondContact NE-OE1 2.83Å; R845-E873 VanDerWaalsContact NH2-CD 3.28Å; R845-E873 IonicContact NH2-OE1 2.96Å; R845-E873 PolarHBondContact NH2-OE1 3.36Å; R845-E873 IonicContact NH2-OE2 3.88Å; L869-E873 HydrophobicContact CD1-CG 4.19Å; L869-E873 WeakPolarHBondContact CD1-OE1 3.18Å; L869-E873 HydrophobicContact CG-CG 4.27Å; L869-E873 PolarHBondContact O-N 2.67Å; S870-E873 VanDerWaalsContact O-OXT 3.07Å |
Retrieved 873 of 873 residues in 528.9 ms
(Link to these results)