| 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 | 39.1 | Very low | 40.8 | Very low | 135 Ų | 135 | 103.2 Ų | 103.2 | 67% | 0.665 | 54% | 0.544 | S | S | * | . | 0 | 140.2 | 0 | -86.9 | -168.8 | 169.1 | 0 | 0 | 109.2 | L6 L577 | M1-L6 HydrophobicContact SD-CD1 4.01Å; M1-L577 HydrophobicContact CE-CD2 4.28Å | |||
| 2 | P | 34.3 | Very low | 41.6 | Very low | 82 Ų | 82 | 100.8 Ų | 100.8 | 53% | 0.532 | 52% | 0.523 | S | S | . | . | trans | -67.2 | 137.9 | 162.9 | -7.7 | 24.2 | 0 | 0 | 0 | 109 | D4 I5 | P2-D4 PolarHBondContact O-N 3.35Å; P2-I5 PolarHBondContact O-N 3.03Å | ||
| 3 | A | 36.9 | Very low | 42.9 | Very low | 70 Ų | 70 | 93.3 Ų | 93.3 | 58% | 0.579 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -55.3 | -21.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I5 L6 N7 | A3-I5 PolarHBondContact O-N 3.4Å; A3-L6 PolarHBondContact O-N 2.94Å; A3-N7 PolarHBondContact O-N 3.2Å |
| 4 | D | 38.4 | Very low | 45 | Very low | 109 Ų | 109 | 94.1 Ų | 94.1 | 58% | 0.583 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68 | -30 | -175.7 | -55.3 | -37.5 | 0 | 0 | 0 | 113.6 | P2 M8 | P2-D4 PolarHBondContact O-N 3.35Å; D4-M8 PolarHBondContact O-N 2.99Å |
| 5 | I | 40.8 | Very low | 47.3 | Very low | 80 Ų | 80 | 91.4 Ų | 91.4 | 41% | 0.41 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -75 | -31.9 | 179.2 | -61.9 | 178.2 | 0 | 0 | 0 | 111.5 | P2 A3 K9 | P2-I5 PolarHBondContact O-N 3.03Å; A3-I5 PolarHBondContact O-N 3.4Å; I5-K9 WeakPolarHBondContact O-CG 3.13Å |
| 6 | L | 39.9 | Very low | 49.8 | Very low | 87 Ų | 87 | 86.9 Ų | 86.9 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -73.3 | -37.2 | 177.5 | -109 | 128.4 | 0 | 0 | 0 | 111.6 | M1 A3 K9 | M1-L6 HydrophobicContact SD-CD1 4.01Å; A3-L6 PolarHBondContact O-N 2.94Å; L6-K9 PolarHBondContact O-N 2.72Å |
| 7 | N | 40.5 | Very low | 52.1 | Low | 115 Ų | 115 | 85.5 Ų | 85.5 | 62% | 0.615 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -69.6 | -39 | 177.9 | -80.5 | -18.5 | 0 | 0 | 0 | 112.9 | A3 K9 H10 | A3-N7 PolarHBondContact O-N 3.2Å; N7-K9 VanDerWaalsContact C-N 3.26Å; N7-K9 PolarHBondContact O-N 2.61Å; N7-H10 PolarHBondContact O-N 3.12Å |
| 8 | M | 39.6 | Very low | 54.1 | Low | 111 Ų | 111 | 82.7 Ų | 82.7 | 55% | 0.547 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.8 | -32.2 | 174.3 | -74.3 | -168.8 | -166.7 | 0 | 0 | 112.8 | D4 H10 E11 Y12 | D4-M8 PolarHBondContact O-N 2.99Å; M8-H10 PolarHBondContact O-N 2.67Å; M8-E11 PolarHBondContact O-N 3.48Å; M8-Y12 HydrophobicContact CB-CE2 4.4Å; M8-Y12 WeakPolarHBondContact O-CD2 3.31Å |
| 9 | K | 45.9 | Very low | 55.6 | Low | 49 Ų | 49 | 79 Ų | 79 | 21% | 0.213 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -70 | -28.9 | -177 | -77.7 | 179.1 | 174.4 | -170.5 | 0 | 114.3 | I5 L6 N7 E11 Y12 G13 H20 | I5-K9 WeakPolarHBondContact O-CG 3.13Å; L6-K9 PolarHBondContact O-N 2.72Å; N7-K9 VanDerWaalsContact C-N 3.26Å; N7-K9 PolarHBondContact O-N 2.61Å; K9-E11 PolarHBondContact O-N 3.34Å; K9-Y12 PolarHBondContact O-N 2.88Å; K9-G13 PolarHBondContact O-N 3.02Å; K9-H20 PolarHBondContact NZ-O 3.09Å |
| 10 | H | 47 | Very low | 56.6 | Low | 148 Ų | 148 | 77.1 Ų | 77.1 | 69% | 0.685 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66.4 | -25.3 | 175.8 | -95.1 | -70.9 | 0 | 0 | 0 | 112.7 | N7 M8 | N7-H10 PolarHBondContact O-N 3.12Å; M8-H10 PolarHBondContact O-N 2.67Å |
| 11 | E | 47 | Very low | 57.3 | Low | 149 Ų | 149 | 75.1 Ų | 75.1 | 70% | 0.696 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -75 | -39.7 | 175.7 | -79 | -175.7 | 142.2 | 0 | 0 | 113.1 | M8 K9 | M8-E11 PolarHBondContact O-N 3.48Å; K9-E11 PolarHBondContact O-N 3.34Å |
| 12 | Y | 50.5 | Low | 59.3 | Low | 75 Ų | 75 | 69.2 Ų | 69.2 | 29% | 0.294 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -75 | -32.7 | -174.6 | -67.6 | -73.3 | 0 | 0 | 0 | 114.2 | M8 K9 S25 Y26 | M8-Y12 HydrophobicContact CB-CE2 4.4Å; M8-Y12 WeakPolarHBondContact O-CD2 3.31Å; K9-Y12 PolarHBondContact O-N 2.88Å; Y12-S25 WeakPolarHBondContact CD1-OG 3.32Å; Y12-S25 WeakPolarHBondContact O-CA 3.4Å; Y12-Y26 PolarHBondContact O-N 2.97Å; Y12-Y26 VanDerWaalsContact O-N 3.14Å |
| 13 | G | 58 | Low | 61.4 | Low | 3 Ų | 3 | 69 Ų | 69 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -11.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K9 G15 I16 | K9-G13 PolarHBondContact O-N 3.02Å; G13-G15 PolarHBondContact O-N 3.49Å; G13-G15 VanDerWaalsContact O-N 3.09Å; G13-I16 VanDerWaalsContact O-CB 3.31Å; G13-I16 WeakPolarHBondContact O-CB 3.31Å; G13-I16 VanDerWaalsContact O-CG1 3.28Å; G13-I16 WeakPolarHBondContact O-CG1 3.46Å; G13-I16 PolarHBondContact O-N 3.11Å |
| 14 | N | 71.5 | Confident | 63.9 | Low | 105 Ų | 105 | 66 Ų | 66 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.1 | 38.5 | -173 | -79.2 | -40.3 | 0 | 0 | 0 | 113.5 | Y26 | N14-Y26 PolarHBondContact ND2-O 3.12Š|
| 15 | G | 79.6 | Confident | 66.4 | Low | 53 Ų | 53 | 61.5 Ų | 61.5 | 55% | 0.546 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | 6.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | G13 K448 | G13-G15 PolarHBondContact O-N 3.49Å; G13-G15 VanDerWaalsContact O-N 3.09Å; G15-K448 WeakPolarHBondContact O-CB 3.5Å |
| 16 | I | 88.2 | Confident | 68.9 | Low | 20 Ų | 20 | 57.7 Ų | 57.7 | 10% | 0.103 | 30% | 0.296 | C | S | . | . | trans | -78.1 | 135.5 | 171.5 | -58.2 | 177.7 | 0 | 0 | 0 | 110.4 | G13 L18 Y26 M38 V450 | G13-I16 VanDerWaalsContact O-CB 3.31Å; G13-I16 WeakPolarHBondContact O-CB 3.31Å; G13-I16 VanDerWaalsContact O-CG1 3.28Å; G13-I16 WeakPolarHBondContact O-CG1 3.46Å; G13-I16 PolarHBondContact O-N 3.11Å; I16-L18 HydrophobicContact CB-CD2 4.47Å; I16-L18 HydrophobicContact CB-CG 4.46Å; I16-L18 HydrophobicContact CG2-CD2 3.71Å; I16-L18 HydrophobicContact CG2-CG 4.13Å; I16-L18 PolarHBondContact O-N 3.39Å; I16-Y26 VanDerWaalsContact CD1-CB 3.5Å; I16-Y26 HydrophobicContact CD1-CD1 4.15Å; I16-Y26 HydrophobicContact CD1-CG 3.96Å; I16-M38 HydrophobicContact CD1-CE 3.7Å; I16-M38 HydrophobicContact CD1-SD 3.63Å; I16-V450 HydrophobicContact CG2-CG1 4.35Å | ||
| 17 | E | 89.1 | Confident | 71.5 | Confident | 63 Ų | 63 | 56.4 Ų | 56.4 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | trans | -79.5 | 108.5 | 175 | -170.3 | -179.1 | -138.1 | 0 | 0 | 110.4 | F423 K448 S452 I456 K458 | E17-F423 HydrophobicContact CG-CE1 4.15Å; E17-K448 PolarHBondContact N-O 2.91Å; E17-S452 WeakPolarHBondContact OE2-CB 3.47Å; E17-S452 PolarHBondContact OE2-OG 3.29Å; E17-I456 WeakPolarHBondContact OE2-CD1 3.09Å; E17-K458 IonicContact OE1-NZ 3.74Å; E17-K458 WeakPolarHBondContact OE2-CE 3.35Å; E17-K458 IonicContact OE2-NZ 3.42Å; E17-K458 PolarHBondContact OE2-NZ 3.29Å | ||
| 18 | L | 87.9 | Confident | 74.1 | Confident | 34 Ų | 34 | 54.5 Ų | 54.5 | 18% | 0.178 | 27% | 0.272 | C | S | . | . | trans | -113.8 | 160.6 | -174.7 | -61.6 | 174.5 | 0 | 0 | 0 | 111.6 | I16 D22 Y26 H451 | I16-L18 HydrophobicContact CB-CD2 4.47Å; I16-L18 HydrophobicContact CB-CG 4.46Å; I16-L18 HydrophobicContact CG2-CD2 3.71Å; I16-L18 HydrophobicContact CG2-CG 4.13Å; I16-L18 PolarHBondContact O-N 3.39Å; L18-D22 HydrophobicContact CB-CB 4.26Å; L18-Y26 HydrophobicContact CD1-CD2 3.72Å; L18-Y26 HydrophobicContact CD1-CE2 3.54Å; L18-Y26 HydrophobicContact CD2-CD2 4.2Å; L18-Y26 HydrophobicContact CD2-CE2 3.65Å; L18-Y26 HydrophobicContact CG-CE2 4.26Å; L18-H451 VanDerWaalsContact CD2-CD2 3.49Å; L18-H451 WeakPolarHBondContact CD2-CD2 3.49Å | ||
| 19 | S | 82.7 | Confident | 76.8 | Confident | 13 Ų | 13 | 50.2 Ų | 50.2 | 9% | 0.091 | 25% | 0.25 | C | S | . | . | trans | -67.2 | 156.6 | 167.3 | 66.8 | 0 | 0 | 0 | 0 | 110.1 | T21 D22 F423 | S19-T21 PolarHBondContact O-N 2.6Å; S19-T21 PolarHBondContact OG-OG1 3.29Å; S19-D22 PolarHBondContact O-N 3.42Å; S19-D22 VanDerWaalsContact O-N 3.11Å; S19-D22 PolarHBondContact OG-N 3.5Å; S19-F423 VanDerWaalsContact CB-O 3.24Å; S19-F423 WeakPolarHBondContact CB-O 3.44Å | ||
| 20 | H | 75.6 | Confident | 79.2 | Confident | 40 Ų | 40 | 53.1 Ų | 53.1 | 19% | 0.185 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -17.3 | 177.4 | -70.6 | 125.1 | 0 | 0 | 0 | 113.3 | K9 Q424 L577 | K9-H20 PolarHBondContact NZ-O 3.09Å; H20-Q424 WeakPolarHBondContact CB-O 3.4Å; H20-Q424 PolarHBondContact CE1-NE2 2.85Å; H20-Q424 PolarHBondContact CE1-OE1 2.75Å; H20-Q424 PolarHBondContact N-O 2.92Å; H20-Q424 WeakPolarHBondContact ND1-CB 3.36Å; H20-L577 HydrophobicContact CB-CD1 3.66Å; H20-L577 HydrophobicContact CB-CD2 3.6Å; H20-L577 HydrophobicContact CB-CG 4.29Å; H20-L577 WeakPolarHBondContact ND1-CD2 3.39Å |
| 21 | T | 71.5 | Confident | 81.6 | Confident | 36 Ų | 36 | 46.3 Ų | 46.3 | 22% | 0.221 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -16.1 | 176 | 51.6 | 0 | 0 | 0 | 0 | 112.6 | S19 Y23 R426 I428 L577 | S19-T21 PolarHBondContact O-N 2.6Å; S19-T21 PolarHBondContact OG-OG1 3.29Å; T21-Y23 WeakPolarHBondContact O-CD2 3.48Å; T21-Y23 WeakPolarHBondContact O-CE2 3.4Å; T21-R426 PolarHBondContact OG1-O 3.17Å; T21-I428 WeakPolarHBondContact O-CD1 3.39Å; T21-L577 HydrophobicContact CG2-CD1 4.44Å |
| 22 | D | 80.6 | Confident | 83.9 | Confident | 11 Ų | 11 | 48 Ų | 48 | 6% | 0.059 | 24% | 0.241 | C | C | . | . | trans | -88.9 | 111.4 | -175.8 | -161 | -12.1 | 0 | 0 | 0 | 112.7 | L18 S19 R24 Y26 I428 | L18-D22 HydrophobicContact CB-CB 4.26Å; S19-D22 PolarHBondContact O-N 3.42Å; S19-D22 VanDerWaalsContact O-N 3.11Å; S19-D22 PolarHBondContact OG-N 3.5Å; D22-R24 VanDerWaalsContact OD1-CB 3.28Å; D22-R24 WeakPolarHBondContact OD1-CB 3.43Å; D22-R24 VanDerWaalsContact OD1-CG 3.32Å; D22-R24 WeakPolarHBondContact OD1-CG 3.47Å; D22-R24 IonicContact OD1-CZ 3.65Å; D22-R24 PolarHBondContact OD1-N 2.92Å; D22-R24 IonicContact OD1-NE 3.26Å; D22-R24 PolarHBondContact OD1-NE 2.99Å; D22-R24 IonicContact OD1-NH2 2.68Å; D22-R24 IonicContact OD2-CZ 2.87Å; D22-R24 IonicContact OD2-NE 2.71Å; D22-R24 PolarHBondContact OD2-NE 3.35Å; D22-R24 IonicContact OD2-NH2 3.34Å; D22-R24 PolarHBondContact OD2-NH2 3.16Å; D22-Y26 PolarHBondContact OD2-OH 3.32Å; D22-I428 VanDerWaalsContact CA-CD1 3.5Å; D22-I428 HydrophobicContact CB-CD1 3.92Å; D22-I428 HydrophobicContact CB-CG1 4.04Å | ||
| 23 | Y | 79.2 | Confident | 86.1 | Confident | 79 Ų | 79 | 45.2 Ų | 45.2 | 31% | 0.31 | 23% | 0.231 | S | C | . | . | trans | -106.5 | 10.1 | 179.2 | -57.5 | -83.9 | 0 | 0 | 0 | 112.5 | T21 N44 | T21-Y23 WeakPolarHBondContact O-CD2 3.48Å; T21-Y23 WeakPolarHBondContact O-CE2 3.4Å; Y23-N44 PolarHBondContact O-ND2 3.28Å; Y23-N44 PolarHBondContact O-OD1 2.97Å | ||
| 24 | R | 87.5 | Confident | 87.9 | Confident | 6 Ų | 6 | 45.2 Ų | 45.2 | 2% | 0.023 | 23% | 0.232 | C | C | . | . | trans | -75.6 | 151.3 | 179.5 | -61.1 | 173.2 | -66.3 | 179.3 | 0.7 | 110.1 | D22 Y26 I40 T42 Q226 T434 | D22-R24 VanDerWaalsContact OD1-CB 3.28Å; D22-R24 WeakPolarHBondContact OD1-CB 3.43Å; D22-R24 VanDerWaalsContact OD1-CG 3.32Å; D22-R24 WeakPolarHBondContact OD1-CG 3.47Å; D22-R24 IonicContact OD1-CZ 3.65Å; D22-R24 PolarHBondContact OD1-N 2.92Å; D22-R24 IonicContact OD1-NE 3.26Å; D22-R24 PolarHBondContact OD1-NE 2.99Å; D22-R24 IonicContact OD1-NH2 2.68Å; D22-R24 IonicContact OD2-CZ 2.87Å; D22-R24 IonicContact OD2-NE 2.71Å; D22-R24 PolarHBondContact OD2-NE 3.35Å; D22-R24 IonicContact OD2-NH2 3.34Å; D22-R24 PolarHBondContact OD2-NH2 3.16Å; R24-Y26 HydrophobicContact CB-CE2 3.8Å; R24-Y26 PolarHBondContact NE-OH 3.35Å; R24-Y26 PolarHBondContact NH2-OH 3.12Å; R24-Y26 VanDerWaalsContact O-CD2 3.27Å; R24-Y26 WeakPolarHBondContact O-CD2 3.45Å; R24-Y26 VanDerWaalsContact O-CE2 3.3Å; R24-Y26 WeakPolarHBondContact O-CE2 3.13Å; R24-I40 HydrophobicContact CB-CG2 3.86Å; R24-I40 HydrophobicContact CG-CG2 4.32Å; R24-T42 HydrophobicContact CG-CG2 3.91Å; R24-Q226 VanDerWaalsContact NH1-OE1 3.1Å; R24-T434 PolarHBondContact NH1-OG1 3.03Å | ||
| 25 | S | 91 | Very high | 89.2 | Confident | 15 Ų | 15 | 40.2 Ų | 40.2 | 11% | 0.105 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 141.8 | 175 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | Y12 I40 S41 | Y12-S25 WeakPolarHBondContact CD1-OG 3.32Å; Y12-S25 WeakPolarHBondContact O-CA 3.4Å; S25-I40 CarbonylContact O-C 3.46Å; S25-I40 WeakPolarHBondContact O-CA 3.37Å; S25-S41 PolarHBondContact N-O 3.25Å; S25-S41 PolarHBondContact O-N 2.96Å |
| 26 | Y | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 149 | -175.9 | -67 | -98.1 | 0 | 0 | 0 | 113.3 | Y12 N14 I16 L18 D22 R24 M38 L39 I40 I438 H451 | Y12-Y26 PolarHBondContact O-N 2.97Å; Y12-Y26 VanDerWaalsContact O-N 3.14Å; N14-Y26 PolarHBondContact ND2-O 3.12Å; I16-Y26 VanDerWaalsContact CD1-CB 3.5Å; I16-Y26 HydrophobicContact CD1-CD1 4.15Å; I16-Y26 HydrophobicContact CD1-CG 3.96Å; L18-Y26 HydrophobicContact CD1-CD2 3.72Å; L18-Y26 HydrophobicContact CD1-CE2 3.54Å; L18-Y26 HydrophobicContact CD2-CD2 4.2Å; L18-Y26 HydrophobicContact CD2-CE2 3.65Å; L18-Y26 HydrophobicContact CG-CE2 4.26Å; D22-Y26 PolarHBondContact OD2-OH 3.32Å; R24-Y26 HydrophobicContact CB-CE2 3.8Å; R24-Y26 PolarHBondContact NE-OH 3.35Å; R24-Y26 PolarHBondContact NH2-OH 3.12Å; R24-Y26 VanDerWaalsContact O-CD2 3.27Å; R24-Y26 WeakPolarHBondContact O-CD2 3.45Å; R24-Y26 VanDerWaalsContact O-CE2 3.3Å; R24-Y26 WeakPolarHBondContact O-CE2 3.13Å; Y26-M38 HydrophobicContact CD1-CG 4.5Å; Y26-M38 HydrophobicContact CD1-SD 4.38Å; Y26-L39 VanDerWaalsContact CA-O 3.3Å; Y26-L39 WeakPolarHBondContact CA-O 3.3Å; Y26-I40 HydrophobicContact CD1-CB 4.38Å; Y26-I40 HydrophobicContact CD1-CG1 3.7Å; Y26-I40 HydrophobicContact CD1-CG2 4.34Å; Y26-I40 HydrophobicContact CE1-CB 4.14Å; Y26-I40 HydrophobicContact CE1-CG1 3.42Å; Y26-I40 VanDerWaalsContact CE1-CG1 3.42Å; Y26-I40 HydrophobicContact CE1-CG2 3.79Å; Y26-I438 HydrophobicContact CE1-CD1 4.24Å; Y26-H451 AromaticContact CE1-NE2 3.36Å; Y26-H451 WeakPolarHBondContact CE1-NE2 3.35Å; Y26-H451 AromaticContact CZ-NE2 3.65Å; Y26-H451 PolarHBondContact OH-NE2 3.42Å |
| 27 | R | 94.1 | Very high | 90.5 | Very high | 60 Ų | 60 | 40.5 Ų | 40.5 | 23% | 0.226 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 126.5 | 168.9 | -173.3 | 176.6 | -65.3 | 168.5 | 1.9 | 111.5 | F29 M38 L39 L231 N232 E235 | R27-F29 HydrophobicContact CG-CD1 4.38Å; R27-M38 WeakPolarHBondContact O-CA 3.28Å; R27-L39 HydrophobicContact CB-CB 4.41Å; R27-L39 PolarHBondContact N-O 3.07Å; R27-L39 PolarHBondContact O-N 2.86Å; R27-L231 HydrophobicContact CB-CD1 4.2Å; R27-L231 HydrophobicContact CB-CD2 4Å; R27-N232 PolarHBondContact NH1-OD1 2.74Å; R27-N232 PolarHBondContact NH2-OD1 2.86Å; R27-E235 WeakPolarHBondContact CD-OE2 3.07Å; R27-E235 IonicContact CZ-OE2 3.66Å; R27-E235 IonicContact NE-OE2 3.84Å; R27-E235 IonicContact NH1-OE2 2.75Å; R27-E235 PolarHBondContact NH1-OE2 3.49Å |
| 28 | H | 95.6 | Very high | 91 | Very high | 75 Ų | 75 | 37.5 Ų | 37.5 | 35% | 0.347 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 137.7 | 170.9 | 168.3 | -93.5 | 0 | 0 | 0 | 111 | V37 M38 P447 | H28-V37 VanDerWaalsContact CA-O 3.29Å; H28-V37 WeakPolarHBondContact CA-O 3.34Å; H28-V37 PolarHBondContact CD2-O 2.62Å; H28-M38 HydrophobicContact CB-CE 3.79Å; H28-M38 HydrophobicContact CB-SD 3.9Å; H28-P447 HydrophobicContact CB-CB 4.1Å |
| 29 | F | 96 | Very high | 91.4 | Very high | 20 Ų | 20 | 35.9 Ų | 35.9 | 9% | 0.088 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 166.6 | 169.8 | 63.3 | -83.8 | 0 | 0 | 0 | 111.3 | R27 L31 V37 L39 E235 I238 R239 | R27-F29 HydrophobicContact CG-CD1 4.38Å; F29-L31 HydrophobicContact CD2-CD2 4.41Å; F29-L31 HydrophobicContact CE2-CD2 3.7Å; F29-L31 HydrophobicContact CE2-CG 4.17Å; F29-V37 HydrophobicContact CD1-CB 4.31Å; F29-V37 HydrophobicContact CD1-CG1 4.49Å; F29-V37 HydrophobicContact CD2-CB 4.36Å; F29-V37 HydrophobicContact CE1-CB 3.93Å; F29-V37 HydrophobicContact CE1-CG1 3.72Å; F29-V37 HydrophobicContact CE2-CB 3.99Å; F29-V37 HydrophobicContact CE2-CG1 4.35Å; F29-V37 HydrophobicContact CE2-CG2 4.02Å; F29-V37 HydrophobicContact CZ-CB 3.77Å; F29-V37 HydrophobicContact CZ-CG1 3.64Å; F29-V37 HydrophobicContact CZ-CG2 4.12Å; F29-V37 PolarHBondContact N-O 3.36Å; F29-V37 PolarHBondContact O-N 3.29Å; F29-L39 HydrophobicContact CE1-CD1 3.7Å; F29-L39 HydrophobicContact CE1-CD2 4.4Å; F29-L39 HydrophobicContact CE1-CG 3.85Å; F29-L39 HydrophobicContact CZ-CD1 4.49Å; F29-E235 HydrophobicContact CD1-CG 4.43Å; F29-E235 HydrophobicContact CE1-CB 4.32Å; F29-E235 HydrophobicContact CE1-CG 3.89Å; F29-E235 HydrophobicContact CE2-CG 4.35Å; F29-E235 HydrophobicContact CZ-CB 4.46Å; F29-E235 HydrophobicContact CZ-CG 3.84Å; F29-I238 HydrophobicContact CZ-CB 4.31Å; F29-I238 HydrophobicContact CZ-CG2 4.16Å; F29-R239 HydrophobicContact CE2-CG 4.45Å |
| 30 | E | 97 | Very high | 92 | Very high | 111 Ų | 111 | 35.2 Ų | 35.2 | 52% | 0.519 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135 | 173.1 | -163.4 | 178.8 | 143.1 | 0 | 0 | 109.8 | G34 M35 | E30-G34 VanDerWaalsContact OE1-CA 3.32Å; E30-G34 WeakPolarHBondContact OE1-CA 3.36Å; E30-M35 WeakPolarHBondContact CA-O 3.17Å |
| 31 | L | 97.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | trans | -75.1 | 159.1 | 171.4 | -70.8 | 177.8 | 0 | 0 | 0 | 110.5 | F29 N33 G34 M35 V37 I238 R239 F242 | F29-L31 HydrophobicContact CD2-CD2 4.41Å; F29-L31 HydrophobicContact CE2-CD2 3.7Å; F29-L31 HydrophobicContact CE2-CG 4.17Å; L31-N33 WeakPolarHBondContact CB-OD1 3.32Å; L31-N33 PolarHBondContact O-N 2.99Å; L31-N33 VanDerWaalsContact O-N 3.12Å; L31-G34 WeakPolarHBondContact O-CA 3.47Å; L31-G34 PolarHBondContact O-N 2.75Å; L31-M35 HydrophobicContact CB-CB 4.33Å; L31-M35 HydrophobicContact CD1-CB 4.19Å; L31-M35 HydrophobicContact CD1-SD 4.17Å; L31-M35 PolarHBondContact N-O 3.46Å; L31-V37 HydrophobicContact CD1-CG2 4.2Å; L31-V37 HydrophobicContact CG-CG2 4.06Å; L31-I238 HydrophobicContact CD1-CG2 4.28Å; L31-R239 HydrophobicContact CD2-CB 4.42Å; L31-R239 HydrophobicContact CD2-CG 3.77Å; L31-F242 HydrophobicContact CD1-CB 3.72Å | ||
| 32 | Q | 95.3 | Very high | 93.5 | Very high | 186 Ų | 186 | 32.8 Ų | 32.8 | 87% | 0.869 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -28 | 179.1 | -69.8 | -178.3 | -11.8 | 0 | 0 | 113.5 | G34 | Q32-G34 PolarHBondContact O-N 2.95Š|
| 33 | N | 96.2 | Very high | 93.2 | Very high | 15 Ų | 15 | 35 Ų | 35 | 8% | 0.08 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -4.3 | 175.8 | 63.3 | 0.9 | 0 | 0 | 0 | 113.4 | L31 M35 A218 H219 F242 S243 I245 A247 | L31-N33 WeakPolarHBondContact CB-OD1 3.32Å; L31-N33 PolarHBondContact O-N 2.99Å; L31-N33 VanDerWaalsContact O-N 3.12Å; N33-M35 PolarHBondContact OD1-N 2.82Å; N33-A218 HydrophobicContact CB-CB 3.76Å; N33-A218 VanDerWaalsContact CG-CB 3.41Å; N33-A218 WeakPolarHBondContact ND2-CB 3.41Å; N33-H219 PolarHBondContact O-N 2.94Å; N33-F242 PolarHBondContact ND2-O 2.94Å; N33-S243 PolarHBondContact ND2-O 3.03Å; N33-I245 PolarHBondContact ND2-O 2.99Å; N33-I245 VanDerWaalsContact ND2-O 3.09Å; N33-A247 HydrophobicContact CB-CB 4.18Å; N33-A247 VanDerWaalsContact O-CB 3.28Å; N33-A247 WeakPolarHBondContact O-CB 3.44Å |
| 34 | G | 96.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 95.8 | 1.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | E30 L31 Q32 K36 | E30-G34 VanDerWaalsContact OE1-CA 3.32Å; E30-G34 WeakPolarHBondContact OE1-CA 3.36Å; L31-G34 WeakPolarHBondContact O-CA 3.47Å; L31-G34 PolarHBondContact O-N 2.75Å; Q32-G34 PolarHBondContact O-N 2.95Å; G34-K36 PolarHBondContact O-N 2.89Å |
| 35 | M | 98 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -70 | 127.9 | 177.2 | -179 | -178.4 | -61.4 | 0 | 0 | 110.2 | E30 L31 N33 V37 L61 A218 M221 L223 F242 I245 | E30-M35 WeakPolarHBondContact CA-O 3.17Å; L31-M35 HydrophobicContact CB-CB 4.33Å; L31-M35 HydrophobicContact CD1-CB 4.19Å; L31-M35 HydrophobicContact CD1-SD 4.17Å; L31-M35 PolarHBondContact N-O 3.46Å; N33-M35 PolarHBondContact OD1-N 2.82Å; M35-V37 HydrophobicContact CG-CG2 4.37Å; M35-L61 HydrophobicContact CE-CD1 4.26Å; M35-A218 VanDerWaalsContact CA-O 3.26Å; M35-A218 WeakPolarHBondContact CA-O 3Å; M35-A218 HydrophobicContact CB-CB 4.4Å; M35-A218 HydrophobicContact CE-CB 4.37Å; M35-A218 PolarHBondContact N-O 2.71Å; M35-M221 HydrophobicContact CE-CB 3.84Å; M35-M221 HydrophobicContact CE-CG 4.38Å; M35-M221 HydrophobicContact CE-SD 3.65Å; M35-M221 HydrophobicContact CG-CB 4.05Å; M35-L223 HydrophobicContact CG-CB 4.5Å; M35-L223 HydrophobicContact SD-CB 3.96Å; M35-L223 HydrophobicContact SD-CD2 4.32Å; M35-F242 HydrophobicContact CE-CD1 4.32Å; M35-F242 HydrophobicContact SD-CB 4.15Å; M35-F242 HydrophobicContact SD-CD1 4.11Å; M35-F242 HydrophobicContact SD-CG 4.47Å; M35-I245 HydrophobicContact CE-CB 4.38Å; M35-I245 HydrophobicContact CE-CD1 3.56Å; M35-I245 HydrophobicContact CE-CG2 4.45Å | ||
| 36 | K | 98.2 | Very high | 87.9 | Confident | 78 Ų | 78 | 44.6 Ų | 44.6 | 34% | 0.339 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 132.8 | 174.5 | -60 | 177.3 | -173.6 | 174.3 | 0 | 109.7 | G34 M221 T222 L223 L442 | G34-K36 PolarHBondContact O-N 2.89Å; K36-M221 PolarHBondContact N-O 3Å; K36-M221 VanDerWaalsContact N-O 3.16Å; K36-T222 HydrophobicContact CB-CG2 4.06Å; K36-T222 HydrophobicContact CD-CG2 4.25Å; K36-T222 CarbonylContact O-C 3.52Å; K36-T222 VanDerWaalsContact O-CA 3.27Å; K36-T222 WeakPolarHBondContact O-CA 3.15Å; K36-L223 PolarHBondContact O-N 3.19Å; K36-L442 PolarHBondContact NZ-O 2.75Å |
| 37 | V | 98.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 138.4 | -175.8 | -176.2 | 0 | 0 | 0 | 0 | 110.3 | H28 F29 L31 M35 L39 L223 I238 | H28-V37 VanDerWaalsContact CA-O 3.29Å; H28-V37 WeakPolarHBondContact CA-O 3.34Å; H28-V37 PolarHBondContact CD2-O 2.62Å; F29-V37 HydrophobicContact CD1-CB 4.31Å; F29-V37 HydrophobicContact CD1-CG1 4.49Å; F29-V37 HydrophobicContact CD2-CB 4.36Å; F29-V37 HydrophobicContact CE1-CB 3.93Å; F29-V37 HydrophobicContact CE1-CG1 3.72Å; F29-V37 HydrophobicContact CE2-CB 3.99Å; F29-V37 HydrophobicContact CE2-CG1 4.35Å; F29-V37 HydrophobicContact CE2-CG2 4.02Å; F29-V37 HydrophobicContact CZ-CB 3.77Å; F29-V37 HydrophobicContact CZ-CG1 3.64Å; F29-V37 HydrophobicContact CZ-CG2 4.12Å; F29-V37 PolarHBondContact N-O 3.36Å; F29-V37 PolarHBondContact O-N 3.29Å; L31-V37 HydrophobicContact CD1-CG2 4.2Å; L31-V37 HydrophobicContact CG-CG2 4.06Å; M35-V37 HydrophobicContact CG-CG2 4.37Å; V37-L39 HydrophobicContact CG1-CD2 3.85Å; V37-L39 HydrophobicContact CG1-CG 4.32Å; V37-L223 CarbonylContact C-O 3.58Å; V37-L223 VanDerWaalsContact CA-O 3.3Å; V37-L223 WeakPolarHBondContact CA-O 3.48Å; V37-L223 HydrophobicContact CG1-CD2 4.43Å; V37-L223 HydrophobicContact CG2-CB 4.35Å; V37-L223 HydrophobicContact CG2-CD2 4.47Å; V37-I238 HydrophobicContact CG1-CG2 4.08Å; V37-I238 HydrophobicContact CG2-CG2 4.08Å |
| 38 | M | 97.8 | Very high | 82.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 125.6 | 165.6 | -174.4 | 72.1 | 72.5 | 0 | 0 | 110.3 | I16 Y26 R27 H28 I40 L223 A224 V225 I438 L442 P447 V450 | I16-M38 HydrophobicContact CD1-CE 3.7Å; I16-M38 HydrophobicContact CD1-SD 3.63Å; Y26-M38 HydrophobicContact CD1-CG 4.5Å; Y26-M38 HydrophobicContact CD1-SD 4.38Å; R27-M38 WeakPolarHBondContact O-CA 3.28Å; H28-M38 HydrophobicContact CB-CE 3.79Å; H28-M38 HydrophobicContact CB-SD 3.9Å; M38-I40 HydrophobicContact CG-CD1 4.48Å; M38-L223 PolarHBondContact N-O 3Å; M38-A224 VanDerWaalsContact O-CA 3.32Å; M38-A224 WeakPolarHBondContact O-CA 3.32Å; M38-V225 PolarHBondContact O-N 3.41Å; M38-I438 HydrophobicContact CB-CG2 3.54Å; M38-I438 HydrophobicContact CG-CD1 4.45Å; M38-I438 HydrophobicContact CG-CG2 3.65Å; M38-L442 HydrophobicContact CB-CD1 3.88Å; M38-L442 HydrophobicContact CE-CD2 4.08Å; M38-P447 HydrophobicContact CE-CB 4.1Å; M38-V450 HydrophobicContact CE-CG1 4.21Å |
| 39 | L | 97.4 | Very high | 79.7 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 139.1 | 174.3 | -55.4 | -179.1 | 0 | 0 | 0 | 110 | Y26 R27 F29 V37 V225 L231 M234 E235 I238 | Y26-L39 VanDerWaalsContact CA-O 3.3Å; Y26-L39 WeakPolarHBondContact CA-O 3.3Å; R27-L39 HydrophobicContact CB-CB 4.41Å; R27-L39 PolarHBondContact N-O 3.07Å; R27-L39 PolarHBondContact O-N 2.86Å; F29-L39 HydrophobicContact CE1-CD1 3.7Å; F29-L39 HydrophobicContact CE1-CD2 4.4Å; F29-L39 HydrophobicContact CE1-CG 3.85Å; F29-L39 HydrophobicContact CZ-CD1 4.49Å; V37-L39 HydrophobicContact CG1-CD2 3.85Å; V37-L39 HydrophobicContact CG1-CG 4.32Å; L39-V225 CarbonylContact C-O 3.5Å; L39-V225 WeakPolarHBondContact CA-O 3.47Å; L39-V225 HydrophobicContact CD2-CB 4.05Å; L39-L231 HydrophobicContact CB-CD2 3.83Å; L39-M234 HydrophobicContact CB-CE 4.06Å; L39-M234 HydrophobicContact CD1-CB 3.86Å; L39-M234 HydrophobicContact CD2-CB 4.18Å; L39-E235 HydrophobicContact CD1-CB 3.8Å; L39-I238 HydrophobicContact CD2-CG1 3.81Å |
| 40 | I | 95.1 | Very high | 77 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 113.8 | 175.3 | -51.1 | 96.1 | 0 | 0 | 0 | 107.8 | R24 S25 Y26 M38 V225 Q226 S227 T434 V435 I438 | R24-I40 HydrophobicContact CB-CG2 3.86Å; R24-I40 HydrophobicContact CG-CG2 4.32Å; S25-I40 CarbonylContact O-C 3.46Å; S25-I40 WeakPolarHBondContact O-CA 3.37Å; Y26-I40 HydrophobicContact CD1-CB 4.38Å; Y26-I40 HydrophobicContact CD1-CG1 3.7Å; Y26-I40 HydrophobicContact CD1-CG2 4.34Å; Y26-I40 HydrophobicContact CE1-CB 4.14Å; Y26-I40 HydrophobicContact CE1-CG1 3.42Å; Y26-I40 VanDerWaalsContact CE1-CG1 3.42Å; Y26-I40 HydrophobicContact CE1-CG2 3.79Å; M38-I40 HydrophobicContact CG-CD1 4.48Å; I40-V225 WeakPolarHBondContact CD1-O 3.43Å; I40-V225 PolarHBondContact N-O 2.6Å; I40-Q226 HydrophobicContact CB-CB 3.99Å; I40-Q226 HydrophobicContact CB-CG 4.02Å; I40-Q226 HydrophobicContact CD1-CB 4.32Å; I40-Q226 HydrophobicContact CG2-CG 4.03Å; I40-Q226 VanDerWaalsContact O-CA 3.29Å; I40-Q226 WeakPolarHBondContact O-CA 3.47Å; I40-S227 PolarHBondContact O-N 2.84Å; I40-T434 HydrophobicContact CD1-CG2 4.46Å; I40-T434 HydrophobicContact CG1-CG2 4.43Å; I40-V435 HydrophobicContact CD1-CG1 4.32Å; I40-I438 HydrophobicContact CD1-CD1 3.68Å; I40-I438 HydrophobicContact CG1-CD1 3.88Å |
| 41 | S | 92.6 | Very high | 74.3 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.014 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 131.5 | 176.9 | -172.5 | 0 | 0 | 0 | 0 | 110.3 | S25 C43 S227 D229 | S25-S41 PolarHBondContact N-O 3.25Å; S25-S41 PolarHBondContact O-N 2.96Å; S41-C43 VanDerWaalsContact OG-CB 3.28Å; S41-C43 WeakPolarHBondContact OG-CB 3.46Å; S41-C43 PolarHBondContact OG-N 3.37Å; S41-S227 WeakPolarHBondContact CA-O 3.31Å; S41-D229 WeakPolarHBondContact CB-O 3.28Å; S41-D229 PolarHBondContact OG-O 2.85Å |
| 42 | T | 85.1 | Confident | 71.9 | Confident | 23 Ų | 23 | 67.7 Ų | 67.7 | 14% | 0.141 | 35% | 0.345 | C | S | . | . | trans | -98.4 | 10.8 | 168.7 | 52.1 | 0 | 0 | 0 | 0 | 112.3 | R24 N44 S227 K228 | R24-T42 HydrophobicContact CG-CG2 3.91Å; T42-N44 PolarHBondContact O-N 3.45Å; T42-S227 PolarHBondContact N-O 3.39Å; T42-S227 VanDerWaalsContact N-O 3.09Å; T42-S227 PolarHBondContact OG1-O 3.21Å; T42-K228 WeakPolarHBondContact OG1-CG 3.45Å | ||
| 43 | C | 74.3 | Confident | 69.6 | Low | 58 Ų | 58 | 61.3 Ų | 61.3 | 39% | 0.392 | 32% | 0.322 | S | S | . | . | trans | -72.9 | 88.2 | 173 | -166.1 | 0 | 0 | 0 | 0 | 109.2 | S41 K228 | S41-C43 VanDerWaalsContact OG-CB 3.28Å; S41-C43 WeakPolarHBondContact OG-CB 3.46Å; S41-C43 PolarHBondContact OG-N 3.37Å; C43-K228 VanDerWaalsContact CB-O 3.29Å; C43-K228 WeakPolarHBondContact CB-O 3.49Å | ||
| 44 | N | 61 | Low | 67.5 | Low | 46 Ų | 46 | 62.9 Ų | 62.9 | 25% | 0.246 | 33% | 0.33 | C | S | . | . | trans | -102.6 | 126.2 | 174.8 | -69.9 | -2.7 | 0 | 0 | 0 | 109.3 | Y23 T42 I46 | Y23-N44 PolarHBondContact O-ND2 3.28Å; Y23-N44 PolarHBondContact O-OD1 2.97Å; T42-N44 PolarHBondContact O-N 3.45Å; N44-I46 PolarHBondContact O-N 3.4Å; N44-I46 VanDerWaalsContact O-N 3.09Å | ||
| 45 | D | 43.5 | Very low | 66.1 | Low | 160 Ų | 160 | 67 Ų | 67 | 86% | 0.856 | 35% | 0.354 | S | S | * | . | trans | -73.8 | 12.5 | 176.4 | -68 | -37 | 0 | 0 | 0 | 113.3 | ||||
| 46 | I | 43.5 | Very low | 65.2 | Low | 94 Ų | 94 | 70 Ų | 70 | 48% | 0.482 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -96.4 | 120.2 | -177.9 | -55.9 | 174.2 | 0 | 0 | 0 | 107.1 | N44 | N44-I46 PolarHBondContact O-N 3.4Å; N44-I46 VanDerWaalsContact O-N 3.09Å |
| 47 | D | 37 | Very low | 64.9 | Low | 139 Ų | 139 | 66.4 Ų | 66.4 | 74% | 0.743 | 35% | 0.354 | S | S | * | . | trans | -24.8 | 138.9 | 179.8 | -73.3 | -40.8 | 0 | 0 | 0 | 114.3 | N49 | D47-N49 PolarHBondContact O-N 3.24Š| ||
| 48 | D | 36.7 | Very low | 64.7 | Low | 160 Ų | 160 | 66.4 Ų | 66.4 | 86% | 0.856 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -37.8 | 0.2 | -176.3 | -76.3 | -41.5 | 0 | 0 | 0 | 119.2 | ||
| 49 | N | 36 | Very low | 64.8 | Low | 124 Ų | 124 | 66.4 Ų | 66.4 | 66% | 0.663 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -3.5 | -178.9 | -70.1 | -31.9 | 0 | 0 | 0 | 115.3 | D47 F51 | D47-N49 PolarHBondContact O-N 3.24Å; N49-F51 WeakPolarHBondContact O-CD2 3.5Å |
| 50 | H | 39.6 | Very low | 64.8 | Low | 115 Ų | 115 | 66.4 Ų | 66.4 | 53% | 0.532 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -101.2 | 85.9 | 167.3 | -87.3 | 35.4 | 0 | 0 | 0 | 110.5 | I52 | H50-I52 VanDerWaalsContact C-N 3.28Å; H50-I52 PolarHBondContact O-N 3.31Å |
| 51 | F | 40.7 | Very low | 65 | Low | 156 Ų | 156 | 66.4 Ų | 66.4 | 68% | 0.684 | 35% | 0.354 | S | S | * | . | trans | -61.4 | 59 | -172.9 | -75.1 | -95.2 | 0 | 0 | 0 | 116 | N49 S53 | N49-F51 WeakPolarHBondContact O-CD2 3.5Å; F51-S53 VanDerWaalsContact C-N 3.28Å; F51-S53 PolarHBondContact O-N 2.96Å; F51-S53 VanDerWaalsContact O-N 3.14Å | ||
| 52 | I | 46.8 | Very low | 65.3 | Low | 61 Ų | 61 | 66.3 Ų | 66.3 | 31% | 0.313 | 35% | 0.354 | S | S | . | . | trans | -85.8 | 80 | 161.9 | -56 | 175.1 | 0 | 0 | 0 | 107.5 | H50 D54 | H50-I52 VanDerWaalsContact C-N 3.28Å; H50-I52 PolarHBondContact O-N 3.31Å; I52-D54 HydrophobicContact CG2-CB 4.31Å; I52-D54 PolarHBondContact O-N 3.21Å | ||
| 53 | S | 47.2 | Very low | 65.8 | Low | 53 Ų | 53 | 65.2 Ų | 65.2 | 37% | 0.371 | 35% | 0.347 | S | S | . | . | trans | -77.7 | 42.8 | 179.2 | 88.1 | 0 | 0 | 0 | 0 | 112.4 | F51 T55 K908 | F51-S53 VanDerWaalsContact C-N 3.28Å; F51-S53 PolarHBondContact O-N 2.96Å; F51-S53 VanDerWaalsContact O-N 3.14Å; S53-T55 PolarHBondContact O-N 3.19Å; S53-K908 PolarHBondContact OG-NZ 3.24Å; S53-K908 VanDerWaalsContact OG-NZ 3.16Å | ||
| 54 | D | 53.2 | Low | 66.9 | Low | 47 Ų | 47 | 65.3 Ų | 65.3 | 25% | 0.251 | 34% | 0.344 | S | S | . | . | trans | -76.2 | 100.2 | 177.2 | -77 | -10 | 0 | 0 | 0 | 108.4 | I52 L56 K228 P431 | I52-D54 HydrophobicContact CG2-CB 4.31Å; I52-D54 PolarHBondContact O-N 3.21Å; D54-L56 PolarHBondContact O-N 3.41Å; D54-K228 WeakPolarHBondContact O-CE 3.47Å; D54-K228 PolarHBondContact O-NZ 3.23Å; D54-P431 HydrophobicContact CB-CG 4.07Å | ||
| 55 | T | 65.4 | Low | 68.5 | Low | 91 Ų | 91 | 63.2 Ų | 63.2 | 56% | 0.558 | 33% | 0.333 | S | S | * | . | trans | -77.4 | -5.9 | 175.2 | 51.6 | 0 | 0 | 0 | 0 | 112.7 | S53 E122 | S53-T55 PolarHBondContact O-N 3.19Å; T55-E122 PolarHBondContact O-N 3.07Å; T55-E122 VanDerWaalsContact O-N 3.16Å | ||
| 56 | L | 79.3 | Confident | 71.1 | Confident | 64 Ų | 64 | 55.6 Ų | 55.6 | 34% | 0.335 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 136.3 | -177.1 | -61.3 | 175.4 | 0 | 0 | 0 | 110.9 | D54 I120 P431 | D54-L56 PolarHBondContact O-N 3.41Å; L56-I120 WeakPolarHBondContact CA-O 3.41Å; L56-P431 HydrophobicContact CB-CG 4.44Å |
| 57 | S | 92 | Very high | 73.6 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 152.7 | 163 | -63.5 | 0 | 0 | 0 | 0 | 108.9 | S119 I120 Q226 S227 | S57-S119 CarbonylContact O-C 3.59Å; S57-S119 VanDerWaalsContact O-CA 3.3Å; S57-S119 WeakPolarHBondContact O-CA 3.34Å; S57-I120 PolarHBondContact N-O 3.09Å; S57-I120 PolarHBondContact O-N 3.01Å; S57-Q226 CarbonylContact C-O 3.57Å; S57-Q226 VanDerWaalsContact CA-O 3.27Å; S57-Q226 WeakPolarHBondContact CA-O 3.35Å; S57-Q226 VanDerWaalsContact CB-O 3.32Å; S57-Q226 WeakPolarHBondContact CB-O 3.43Å; S57-S227 WeakPolarHBondContact OG-CA 3.3Å; S57-S227 PolarHBondContact OG-OG 3.38Å |
| 58 | A | 95.5 | Very high | 76.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 154.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F118 Q226 P431 V435 | A58-F118 CarbonylContact C-O 3.58Å; A58-F118 VanDerWaalsContact CA-O 3.22Å; A58-F118 WeakPolarHBondContact CA-O 3.45Å; A58-F118 WeakPolarHBondContact CB-O 3.3Å; A58-Q226 PolarHBondContact N-O 3.01Å; A58-Q226 PolarHBondContact O-N 3.37Å; A58-P431 HydrophobicContact CB-CB 3.82Å; A58-V435 HydrophobicContact CB-CG1 4.26Å; A58-V435 HydrophobicContact CB-CG2 3.76Å |
| 59 | A | 98.4 | Very high | 79.3 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 148.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y117 F118 F125 L129 A224 V225 | A59-Y117 CarbonylContact O-C 3.59Å; A59-Y117 VanDerWaalsContact O-CA 3.24Å; A59-Y117 WeakPolarHBondContact O-CA 3.35Å; A59-F118 HydrophobicContact CB-CD1 4.22Å; A59-F118 HydrophobicContact CB-CE1 3.61Å; A59-F118 HydrophobicContact CB-CZ 3.96Å; A59-F118 PolarHBondContact N-O 2.82Å; A59-F118 PolarHBondContact O-N 2.92Å; A59-F125 HydrophobicContact CB-CE2 4.31Å; A59-F125 HydrophobicContact CB-CZ 4.21Å; A59-L129 HydrophobicContact CB-CD1 3.79Å; A59-A224 CarbonylContact C-O 3.55Å; A59-A224 VanDerWaalsContact CA-O 3.24Å; A59-A224 WeakPolarHBondContact CA-O 3.26Å; A59-V225 HydrophobicContact CB-CG2 3.91Å |
| 60 | A | 98.5 | Very high | 82.1 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 136.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L115 Y116 L223 A224 V435 I436 A439 | A60-L115 HydrophobicContact CB-CD1 4.27Å; A60-Y116 CarbonylContact C-O 3.56Å; A60-Y116 VanDerWaalsContact CA-O 3.24Å; A60-Y116 WeakPolarHBondContact CA-O 3.36Å; A60-L223 CarbonylContact O-C 3.6Å; A60-L223 WeakPolarHBondContact O-CA 3.48Å; A60-A224 PolarHBondContact N-O 2.8Å; A60-A224 PolarHBondContact O-N 2.85Å; A60-V435 HydrophobicContact CB-CB 3.88Å; A60-V435 HydrophobicContact CB-CG2 3.75Å; A60-V435 WeakPolarHBondContact CB-O 3.06Å; A60-I436 HydrophobicContact CB-CG1 4.49Å; A60-A439 HydrophobicContact CB-CB 3.84Å |
| 61 | L | 98.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 124.5 | 174.9 | -174 | 153.8 | 0 | 0 | 0 | 109.1 | M35 V63 Y116 F132 F136 M221 T222 L223 F242 | M35-L61 HydrophobicContact CE-CD1 4.26Å; L61-V63 HydrophobicContact CD2-CG2 3.61Å; L61-Y116 PolarHBondContact N-O 3.19Å; L61-Y116 PolarHBondContact O-N 2.91Å; L61-F132 HydrophobicContact CB-CE1 3.8Å; L61-F132 HydrophobicContact CB-CZ 3.95Å; L61-F136 HydrophobicContact CB-CZ 4.41Å; L61-F136 HydrophobicContact CD1-CD2 4.01Å; L61-F136 HydrophobicContact CD1-CE2 4.02Å; L61-F136 HydrophobicContact CD1-CG 4.27Å; L61-F136 HydrophobicContact CD1-CZ 4.28Å; L61-F136 HydrophobicContact CD2-CD1 4.17Å; L61-F136 HydrophobicContact CD2-CE1 3.77Å; L61-F136 HydrophobicContact CD2-CZ 3.96Å; L61-F136 HydrophobicContact CG-CZ 4.46Å; L61-M221 HydrophobicContact CD1-SD 4.24Å; L61-M221 HydrophobicContact CD2-CB 4.42Å; L61-M221 HydrophobicContact CD2-CG 4.19Å; L61-M221 HydrophobicContact CD2-SD 4.1Å; L61-T222 CarbonylContact C-O 3.23Å; L61-T222 VanDerWaalsContact CA-O 3.28Å; L61-T222 WeakPolarHBondContact CA-O 3.39Å; L61-L223 HydrophobicContact CB-CD1 4.15Å; L61-F242 HydrophobicContact CD1-CD1 4.38Å; L61-F242 HydrophobicContact CD1-CE1 4.13Å |
| 62 | C | 98.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123.2 | 178.2 | -172 | 0 | 0 | 0 | 0 | 110.2 | T114 L115 M221 T222 A439 H443 | C62-T114 WeakPolarHBondContact CA-O 3.34Å; C62-L115 HydrophobicContact CB-CD1 3.77Å; C62-M221 WeakPolarHBondContact O-CA 3.31Å; C62-T222 WeakPolarHBondContact CB-OG1 3.14Å; C62-T222 PolarHBondContact N-O 3.36Å; C62-T222 PolarHBondContact O-N 3.09Å; C62-T222 PolarHBondContact O-OG1 3.09Å; C62-A439 HydrophobicContact CB-CB 4.13Å; C62-H443 PolarHBondContact O-NE2 2.69Å |
| 63 | V | 97.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 126.9 | 175.8 | -167.5 | 0 | 0 | 0 | 0 | 108.2 | L61 V65 H113 T114 Y116 Y216 M221 | L61-V63 HydrophobicContact CD2-CG2 3.61Å; V63-V65 HydrophobicContact CG1-CB 4.09Å; V63-V65 HydrophobicContact CG1-CG2 3.9Å; V63-V65 PolarHBondContact O-N 3.27Å; V63-H113 CarbonylContact O-C 3.6Å; V63-H113 VanDerWaalsContact O-CA 3.25Å; V63-H113 WeakPolarHBondContact O-CA 3.45Å; V63-T114 PolarHBondContact N-O 3.13Å; V63-T114 PolarHBondContact O-N 3.36Å; V63-Y116 HydrophobicContact CG2-CE2 4.33Å; V63-Y216 HydrophobicContact CG1-CD2 4.4Å; V63-Y216 HydrophobicContact CG1-CE2 4.44Å; V63-Y216 HydrophobicContact CG1-CG 4.44Å; V63-Y216 HydrophobicContact CG2-CD1 4.19Å; V63-Y216 HydrophobicContact CG2-CE1 3.89Å; V63-M221 HydrophobicContact CG1-CG 4.46Å; V63-M221 HydrophobicContact CG2-CE 4.18Å; V63-M221 HydrophobicContact CG2-CG 4.22Å |
| 64 | N | 95.8 | Very high | 91.9 | Very high | 60 Ų | 60 | 27.4 Ų | 27.4 | 32% | 0.321 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -77.4 | 59.3 | 173.7 | -169.8 | 4 | 0 | 0 | 0 | 111.5 | E112 R220 | N64-E112 CarbonylContact C-O 3.4Å; N64-E112 PolarHBondContact OD1-O 2.84Å; N64-R220 HydrophobicContact CB-CB 4.44Å; N64-R220 PolarHBondContact N-O 2.93Å |
| 65 | V | 96 | Very high | 93.9 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | trans | -147.8 | 129 | 173.5 | -177.7 | 0 | 0 | 0 | 0 | 107.2 | V63 E112 H113 T114 L215 I253 | V63-V65 HydrophobicContact CG1-CB 4.09Å; V63-V65 HydrophobicContact CG1-CG2 3.9Å; V63-V65 PolarHBondContact O-N 3.27Å; V65-E112 CarbonylContact C-O 3.59Å; V65-E112 VanDerWaalsContact CA-O 3.3Å; V65-E112 WeakPolarHBondContact CA-O 3.42Å; V65-E112 PolarHBondContact N-O 2.79Å; V65-H113 CarbonylContact O-C 3.56Å; V65-H113 WeakPolarHBondContact O-CA 3.48Å; V65-T114 PolarHBondContact O-N 2.98Å; V65-T114 PolarHBondContact O-OG1 3.01Å; V65-L215 HydrophobicContact CB-CB 4.5Å; V65-L215 HydrophobicContact CG1-CB 3.93Å; V65-L215 HydrophobicContact CG1-CD1 3.78Å; V65-L215 HydrophobicContact CG2-CB 3.77Å; V65-L215 WeakPolarHBondContact CG2-O 3.34Å; V65-I253 HydrophobicContact CG2-CD1 4.28Å | ||
| 66 | G | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -146.3 | -164.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | F68 S69 S78 S110 N111 E112 | G66-F68 PolarHBondContact O-N 3.15Å; G66-S69 WeakPolarHBondContact O-CB 3.49Å; G66-S69 PolarHBondContact O-N 3.48Å; G66-S78 PolarHBondContact O-OG 3.3Å; G66-S110 WeakPolarHBondContact CA-O 3.28Å; G66-N111 CarbonylContact C-O 3.54Å; G66-N111 WeakPolarHBondContact CA-O 3.35Å; G66-E112 PolarHBondContact N-O 3.41Å | ||
| 67 | S | 97 | Very high | 96.3 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.007 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -62.1 | -17.8 | -171 | 63.8 | 0 | 0 | 0 | 0 | 115.7 | S69 D70 S110 N111 L184 S186 | S67-S69 PolarHBondContact O-N 3.33Å; S67-D70 VanDerWaalsContact O-CB 3.27Å; S67-D70 WeakPolarHBondContact O-CB 3.4Å; S67-D70 PolarHBondContact O-N 2.96Å; S67-S110 PolarHBondContact N-O 2.95Å; S67-N111 PolarHBondContact N-O 3.26Å; S67-N111 WeakPolarHBondContact OG-CA 3.29Å; S67-N111 PolarHBondContact OG-OD1 3.29Å; S67-L184 WeakPolarHBondContact O-CD1 3.3Å; S67-S186 VanDerWaalsContact CB-CB 3.47Å; S67-S186 WeakPolarHBondContact OG-CB 3.41Å |
| 68 | F | 96.8 | Very high | 96.5 | Very high | 13 Ų | 13 | 18.6 Ų | 18.6 | 6% | 0.057 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -66.3 | -12.9 | 171.3 | -74.7 | -1.6 | 0 | 0 | 0 | 113.2 | G66 N111 E112 P181 Y182 L255 I343 | G66-F68 PolarHBondContact O-N 3.15Å; F68-N111 VanDerWaalsContact CB-O 3.26Å; F68-N111 WeakPolarHBondContact CB-O 3.28Å; F68-N111 HydrophobicContact CD1-CB 3.74Å; F68-N111 HydrophobicContact CD2-CB 3.95Å; F68-N111 HydrophobicContact CE1-CB 3.55Å; F68-N111 VanDerWaalsContact CE1-CG 3.47Å; F68-N111 HydrophobicContact CE2-CB 3.78Å; F68-N111 HydrophobicContact CG-CB 3.94Å; F68-N111 WeakPolarHBondContact CG-O 3.29Å; F68-N111 HydrophobicContact CZ-CB 3.58Å; F68-N111 PolarHBondContact N-O 2.93Å; F68-E112 HydrophobicContact CD2-CG 3.77Å; F68-E112 HydrophobicContact CE2-CG 4.32Å; F68-P181 HydrophobicContact CB-CB 3.69Å; F68-P181 HydrophobicContact CD1-CB 3.64Å; F68-P181 WeakPolarHBondContact CD1-O 3.3Å; F68-P181 HydrophobicContact CD2-CB 4.1Å; F68-P181 HydrophobicContact CE1-CB 4.26Å; F68-P181 WeakPolarHBondContact CE1-O 3.36Å; F68-P181 HydrophobicContact CG-CB 3.55Å; F68-Y182 HydrophobicContact CE1-CD1 4.29Å; F68-Y182 HydrophobicContact CE1-CG 4.34Å; F68-Y182 HydrophobicContact CE2-CD2 4.42Å; F68-Y182 HydrophobicContact CE2-CE1 4.5Å; F68-Y182 HydrophobicContact CE2-CE2 4.25Å; F68-Y182 AromaticContact CZ-CD1 3.68Å; F68-Y182 HydrophobicContact CZ-CD1 3.68Å; F68-Y182 AromaticContact CZ-CD2 4Å; F68-Y182 HydrophobicContact CZ-CD2 4Å; F68-Y182 AromaticContact CZ-CE1 3.76Å; F68-Y182 HydrophobicContact CZ-CE1 3.76Å; F68-Y182 HydrophobicContact CZ-CE2 4.09Å; F68-Y182 AromaticContact CZ-CG 3.81Å; F68-Y182 HydrophobicContact CZ-CG 3.81Å; F68-Y182 AromaticContact CZ-CZ 3.98Å; F68-L255 HydrophobicContact CB-CD1 4.17Å; F68-L255 HydrophobicContact CD2-CD1 4.15Å; F68-I343 HydrophobicContact CD2-CD1 3.82Å; F68-I343 HydrophobicContact CE2-CD1 3.75Å |
| 69 | S | 95.6 | Very high | 96.6 | Very high | 28 Ų | 28 | 19.3 Ų | 19.3 | 20% | 0.196 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -96.8 | 1.2 | 173.5 | -52.8 | 0 | 0 | 0 | 0 | 112.9 | G66 S67 H211 | G66-S69 WeakPolarHBondContact O-CB 3.49Å; G66-S69 PolarHBondContact O-N 3.48Å; S67-S69 PolarHBondContact O-N 3.33Å; S69-H211 PolarHBondContact O-CE1 3.3Å |
| 70 | D | 96.4 | Very high | 96.4 | Very high | 10 Ų | 10 | 19.3 Ų | 19.3 | 5% | 0.053 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -68.1 | 139.6 | 179.1 | -72.2 | -8.5 | 0 | 0 | 0 | 110.7 | S67 G76 L77 S78 L184 H211 | S67-D70 VanDerWaalsContact O-CB 3.27Å; S67-D70 WeakPolarHBondContact O-CB 3.4Å; S67-D70 PolarHBondContact O-N 2.96Å; D70-G76 WeakPolarHBondContact OD2-CA 3.27Å; D70-G76 PolarHBondContact OD2-N 2.87Å; D70-L77 PolarHBondContact OD2-N 3.15Å; D70-S78 VanDerWaalsContact OD1-CB 3.25Å; D70-S78 WeakPolarHBondContact OD1-CB 3.41Å; D70-S78 PolarHBondContact OD1-N 3.14Å; D70-S78 PolarHBondContact OD1-OG 3.37Å; D70-L184 HydrophobicContact CB-CD1 4.39Å; D70-H211 IonicContact OD1-CE1 3.82Å |
| 71 | P | 94.8 | Very high | 96.3 | Very high | 29 Ų | 29 | 19.3 Ų | 19.3 | 19% | 0.188 | 10% | 0.098 | C | C | . | . | trans | -64.5 | 141.2 | 167.8 | 29 | -32.6 | 0 | 0 | 0 | 109.6 | E73 A74 L77 L207 | P71-E73 PolarHBondContact O-N 2.84Å; P71-E73 VanDerWaalsContact O-N 3.09Å; P71-A74 HydrophobicContact CG-CB 4.09Å; P71-A74 CarbonylContact O-C 3.55Å; P71-A74 PolarHBondContact O-N 2.94Å; P71-L77 HydrophobicContact CG-CD2 3.76Å; P71-L207 HydrophobicContact CG-CD1 4.14Å | ||
| 72 | H | 93.5 | Very high | 96.1 | Very high | 128 Ų | 128 | 19.8 Ų | 19.8 | 59% | 0.593 | 10% | 0.1 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -29.7 | -179.7 | 177.8 | -87.1 | 0 | 0 | 0 | 112.2 | A74 Q75 L184 | H72-A74 VanDerWaalsContact C-N 3.35Å; H72-Q75 WeakPolarHBondContact O-CG 3.36Å; H72-Q75 PolarHBondContact O-NE2 3.47Å; H72-Q75 VanDerWaalsContact O-NE2 3.16Å; H72-L184 HydrophobicContact CB-CD2 4.47Å |
| 73 | E | 94.1 | Very high | 95.7 | Very high | 102 Ų | 102 | 21.7 Ų | 21.7 | 48% | 0.477 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -19.9 | 178.7 | -63.4 | 84.5 | -178.1 | 0 | 0 | 114.7 | P71 I202 | P71-E73 PolarHBondContact O-N 2.84Å; P71-E73 VanDerWaalsContact O-N 3.09Å; E73-I202 HydrophobicContact CB-CD1 3.53Å; E73-I202 HydrophobicContact CB-CG2 4.14Å; E73-I202 HydrophobicContact CG-CD1 3.66Å |
| 74 | A | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -141.1 | 76.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | P71 H72 L77 L193 V204 L207 | P71-A74 HydrophobicContact CG-CB 4.09Å; P71-A74 CarbonylContact O-C 3.55Å; P71-A74 PolarHBondContact O-N 2.94Å; H72-A74 VanDerWaalsContact C-N 3.35Å; A74-L77 HydrophobicContact CB-CB 4.49Å; A74-L77 HydrophobicContact CB-CD1 4.37Å; A74-L77 WeakPolarHBondContact O-CB 3.26Å; A74-L77 PolarHBondContact O-N 3.33Å; A74-L193 HydrophobicContact CB-CD2 4.27Å; A74-V204 HydrophobicContact CB-CG1 4.4Å; A74-V204 HydrophobicContact CB-CG2 4.34Å; A74-L207 HydrophobicContact CB-CD1 4.04Å |
| 75 | Q | 96.6 | Very high | 95 | Very high | 17 Ų | 17 | 18.8 Ų | 18.8 | 8% | 0.079 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | 126.6 | -176.3 | -60.1 | 173.8 | 49.9 | 0 | 0 | 110.5 | H72 L184 F185 G188 S192 | H72-Q75 WeakPolarHBondContact O-CG 3.36Å; H72-Q75 PolarHBondContact O-NE2 3.47Å; H72-Q75 VanDerWaalsContact O-NE2 3.16Å; Q75-L184 HydrophobicContact CG-CD2 4.06Å; Q75-F185 CarbonylContact C-O 3.58Å; Q75-F185 HydrophobicContact CB-CB 4.01Å; Q75-G188 WeakPolarHBondContact O-CA 3.44Å; Q75-S192 WeakPolarHBondContact O-CB 3.37Å; Q75-S192 PolarHBondContact O-OG 3.47Å |
| 76 | G | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.7 | 15 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D70 H79 L80 F185 | D70-G76 WeakPolarHBondContact OD2-CA 3.27Å; D70-G76 PolarHBondContact OD2-N 2.87Å; G76-H79 PolarHBondContact O-N 3.37Å; G76-L80 PolarHBondContact O-N 2.94Å; G76-F185 PolarHBondContact N-O 3.07Å |
| 77 | L | 97.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.6 | -38.7 | -178.8 | -169.2 | 69.9 | 0 | 0 | 0 | 112.2 | D70 P71 A74 H79 L80 L81 V204 L207 L208 H211 | D70-L77 PolarHBondContact OD2-N 3.15Å; P71-L77 HydrophobicContact CG-CD2 3.76Å; A74-L77 HydrophobicContact CB-CB 4.49Å; A74-L77 HydrophobicContact CB-CD1 4.37Å; A74-L77 WeakPolarHBondContact O-CB 3.26Å; A74-L77 PolarHBondContact O-N 3.33Å; L77-H79 VanDerWaalsContact C-N 3.33Å; L77-L80 HydrophobicContact CD1-CD2 4.47Å; L77-L80 PolarHBondContact O-N 3.09Å; L77-L81 WeakPolarHBondContact O-CB 3.29Å; L77-L81 PolarHBondContact O-N 2.82Å; L77-V204 HydrophobicContact CD1-CG1 3.96Å; L77-L207 HydrophobicContact CD2-CB 3.95Å; L77-L208 HydrophobicContact CD1-CB 4Å; L77-L208 HydrophobicContact CD1-CD1 3.73Å; L77-L208 HydrophobicContact CG-CD1 4.21Å; L77-H211 HydrophobicContact CD2-CB 3.87Å |
| 78 | S | 97.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.2 | -42.2 | 174.9 | -62.7 | 0 | 0 | 0 | 0 | 111.3 | G66 D70 L81 E82 H211 | G66-S78 PolarHBondContact O-OG 3.3Å; D70-S78 VanDerWaalsContact OD1-CB 3.25Å; D70-S78 WeakPolarHBondContact OD1-CB 3.41Å; D70-S78 PolarHBondContact OD1-N 3.14Å; D70-S78 PolarHBondContact OD1-OG 3.37Å; S78-L81 PolarHBondContact O-N 3.44Å; S78-E82 PolarHBondContact O-N 2.96Å; S78-H211 PolarHBondContact OG-NE2 2.97Å |
| 79 | H | 96.5 | Very high | 88.9 | Confident | 15 Ų | 15 | 27 Ų | 27 | 7% | 0.069 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.4 | -37.2 | 177.5 | -167.4 | -160.3 | 0 | 0 | 0 | 111.6 | G76 L77 E82 H83 T109 L153 E156 R187 | G76-H79 PolarHBondContact O-N 3.37Å; L77-H79 VanDerWaalsContact C-N 3.33Å; H79-E82 IonicContact CD2-OE2 3.31Å; H79-E82 PolarHBondContact CD2-OE2 3.43Å; H79-E82 VanDerWaalsContact CD2-OE2 3.23Å; H79-E82 IonicContact NE2-OE2 2.97Å; H79-E82 WeakPolarHBondContact O-CB 3.45Å; H79-E82 PolarHBondContact O-N 2.65Å; H79-H83 AromaticContact CD2-CD2 3.8Å; H79-H83 AromaticContact CD2-NE2 3.87Å; H79-H83 AromaticContact NE2-CD2 3.81Å; H79-H83 AromaticContact NE2-NE2 3.38Å; H79-H83 PolarHBondContact NE2-NE2 2.88Å; H79-H83 PolarHBondContact O-CD2 3.12Å; H79-H83 VanDerWaalsContact O-CD2 3.3Å; H79-H83 PolarHBondContact O-N 3.16Å; H79-T109 WeakPolarHBondContact CA-OG1 3.28Å; H79-T109 HydrophobicContact CB-CG2 4.3Å; H79-L153 WeakPolarHBondContact CE1-CD2 3.24Å; H79-L153 VanDerWaalsContact ND1-CD2 3.29Å; H79-L153 WeakPolarHBondContact ND1-CD2 3.22Å; H79-E156 IonicContact CE1-OE1 2.73Å; H79-E156 IonicContact CE1-OE2 2.86Å; H79-E156 PolarHBondContact CE1-OE2 3.44Å; H79-E156 IonicContact NE2-OE2 2.98Å; H79-R187 PolarHBondContact ND1-O 3.16Å |
| 80 | L | 95.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.2 | -42.4 | 170.5 | 178.9 | 59.8 | 0 | 0 | 0 | 112 | G76 L77 E82 H83 M84 M146 I150 L153 L193 V204 L208 | G76-L80 PolarHBondContact O-N 2.94Å; L77-L80 HydrophobicContact CD1-CD2 4.47Å; L77-L80 PolarHBondContact O-N 3.09Å; L80-E82 VanDerWaalsContact C-N 3.28Å; L80-E82 PolarHBondContact O-N 3.13Å; L80-H83 PolarHBondContact O-N 2.86Å; L80-M84 HydrophobicContact CD1-CG 3.86Å; L80-M84 HydrophobicContact CG-CG 4.1Å; L80-M84 VanDerWaalsContact O-CB 3.22Å; L80-M84 WeakPolarHBondContact O-CB 3.07Å; L80-M84 WeakPolarHBondContact O-CG 3.43Å; L80-M84 PolarHBondContact O-N 3.11Å; L80-M146 HydrophobicContact CD1-CG 4.39Å; L80-M146 HydrophobicContact CD2-CG 3.94Å; L80-M146 HydrophobicContact CD2-SD 4.4Å; L80-I150 HydrophobicContact CD1-CD1 4.5Å; L80-I150 HydrophobicContact CD1-CG1 3.68Å; L80-I150 HydrophobicContact CD2-CD1 4.04Å; L80-I150 HydrophobicContact CD2-CG1 3.99Å; L80-I150 HydrophobicContact CG-CG1 4.47Å; L80-L153 HydrophobicContact CB-CD1 4Å; L80-L153 HydrophobicContact CD1-CD1 4.05Å; L80-L193 HydrophobicContact CB-CD1 4.16Å; L80-L193 HydrophobicContact CD2-CD1 4.26Å; L80-L193 HydrophobicContact CD2-CD2 4.34Å; L80-V204 HydrophobicContact CD2-CG1 4.31Å; L80-L208 HydrophobicContact CB-CD1 4.25Å; L80-L208 HydrophobicContact CD2-CD1 4.07Å; L80-L208 HydrophobicContact CG-CD1 3.9Å |
| 81 | L | 95.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62 | -39.3 | 177.6 | 179.2 | 56.8 | 0 | 0 | 0 | 111.4 | L77 S78 M84 L85 L141 L208 W212 Y216 | L77-L81 WeakPolarHBondContact O-CB 3.29Å; L77-L81 PolarHBondContact O-N 2.82Å; S78-L81 PolarHBondContact O-N 3.44Å; L81-M84 PolarHBondContact O-N 2.95Å; L81-L85 HydrophobicContact CD1-CD1 4.04Å; L81-L85 HydrophobicContact CD1-CG 4.15Å; L81-L85 HydrophobicContact CG-CD1 3.87Å; L81-L85 WeakPolarHBondContact O-CB 3.21Å; L81-L85 PolarHBondContact O-N 2.72Å; L81-L141 HydrophobicContact CD1-CD2 3.98Å; L81-L208 HydrophobicContact CB-CD1 3.79Å; L81-L208 HydrophobicContact CD1-CD1 4.35Å; L81-L208 HydrophobicContact CD1-CG 4.29Å; L81-W212 HydrophobicContact CD1-CB 3.94Å; L81-W212 HydrophobicContact CD1-CG 4.4Å; L81-W212 HydrophobicContact CD2-CB 3.87Å; L81-Y216 HydrophobicContact CD2-CD2 3.66Å; L81-Y216 HydrophobicContact CD2-CE1 4.49Å; L81-Y216 HydrophobicContact CD2-CE2 3.37Å; L81-Y216 HydrophobicContact CD2-CG 4.35Å; L81-Y216 HydrophobicContact CG-CE2 4.25Å |
| 82 | E | 94.5 | Very high | 82.6 | Confident | 9 Ų | 9 | 37.1 Ų | 37.1 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.6 | -49.8 | 174.8 | -178.4 | -123.2 | 114.2 | 0 | 0 | 112.7 | S78 H79 L80 M84 S107 T109 T114 Y116 | S78-E82 PolarHBondContact O-N 2.96Å; H79-E82 IonicContact CD2-OE2 3.31Å; H79-E82 PolarHBondContact CD2-OE2 3.43Å; H79-E82 VanDerWaalsContact CD2-OE2 3.23Å; H79-E82 IonicContact NE2-OE2 2.97Å; H79-E82 WeakPolarHBondContact O-CB 3.45Å; H79-E82 PolarHBondContact O-N 2.65Å; L80-E82 VanDerWaalsContact C-N 3.28Å; L80-E82 PolarHBondContact O-N 3.13Å; E82-M84 VanDerWaalsContact C-N 3.3Å; E82-M84 PolarHBondContact O-N 3.06Å; E82-S107 VanDerWaalsContact CD-OG 3.28Å; E82-S107 VanDerWaalsContact OE1-CB 3.31Å; E82-S107 WeakPolarHBondContact OE1-CB 3.3Å; E82-S107 PolarHBondContact OE1-OG 3.14Å; E82-T109 VanDerWaalsContact CB-OG1 3.26Å; E82-T109 WeakPolarHBondContact CB-OG1 2.83Å; E82-T109 PolarHBondContact OE2-N 3.01Å; E82-T109 VanDerWaalsContact OE2-N 3.14Å; E82-T109 PolarHBondContact OE2-OG1 3.07Å; E82-T114 HydrophobicContact CB-CG2 3.91Å; E82-T114 HydrophobicContact CG-CG2 3.84Å; E82-Y116 VanDerWaalsContact CA-OH 3.24Å; E82-Y116 WeakPolarHBondContact CA-OH 3.38Å; E82-Y116 HydrophobicContact CB-CE1 4.32Å; E82-Y116 HydrophobicContact CG-CE1 3.66Å |
| 83 | H | 89.8 | Confident | 81.7 | Confident | 41 Ų | 41 | 34.6 Ų | 34.6 | 19% | 0.19 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.1 | -39.4 | 174.5 | -79.5 | -117.3 | 0 | 0 | 0 | 111.9 | H79 L80 F86 H87 L153 E156 | H79-H83 AromaticContact CD2-CD2 3.8Å; H79-H83 AromaticContact CD2-NE2 3.87Å; H79-H83 AromaticContact NE2-CD2 3.81Å; H79-H83 AromaticContact NE2-NE2 3.38Å; H79-H83 PolarHBondContact NE2-NE2 2.88Å; H79-H83 PolarHBondContact O-CD2 3.12Å; H79-H83 VanDerWaalsContact O-CD2 3.3Å; H79-H83 PolarHBondContact O-N 3.16Å; L80-H83 PolarHBondContact O-N 2.86Å; H83-F86 PolarHBondContact O-N 3.47Å; H83-H87 WeakPolarHBondContact O-CB 3.38Å; H83-H87 PolarHBondContact O-N 2.82Å; H83-L153 WeakPolarHBondContact NE2-CD2 3.26Å; H83-E156 IonicContact NE2-OE2 3.56Å |
| 84 | M | 90.9 | Very high | 81.3 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -73.2 | -31.2 | -174.2 | -77.5 | -67 | -67.2 | 0 | 0 | 114 | L80 L81 E82 F86 H87 L141 K142 G145 M146 L208 | L80-M84 HydrophobicContact CD1-CG 3.86Å; L80-M84 HydrophobicContact CG-CG 4.1Å; L80-M84 VanDerWaalsContact O-CB 3.22Å; L80-M84 WeakPolarHBondContact O-CB 3.07Å; L80-M84 WeakPolarHBondContact O-CG 3.43Å; L80-M84 PolarHBondContact O-N 3.11Å; L81-M84 PolarHBondContact O-N 2.95Å; E82-M84 VanDerWaalsContact C-N 3.3Å; E82-M84 PolarHBondContact O-N 3.06Å; M84-F86 PolarHBondContact O-N 2.75Å; M84-H87 PolarHBondContact O-N 3.04Å; M84-H87 HydrophobicContact SD-CB 4.35Å; M84-L141 HydrophobicContact CB-CD2 3.83Å; M84-K142 WeakPolarHBondContact CE-O 3.4Å; M84-G145 VanDerWaalsContact SD-C 3.52Å; M84-M146 HydrophobicContact CE-CB 4Å; M84-M146 WeakPolarHBondContact SD-CA 3.1Å; M84-M146 HydrophobicContact SD-CB 4.09Å; M84-M146 PolarHBondContact SD-N 3.48Å; M84-M146 VanDerWaalsContact SD-N 3.41Å; M84-L208 HydrophobicContact CB-CD2 4.24Å; M84-L208 HydrophobicContact CE-CD2 4.19Å; M84-L208 HydrophobicContact CG-CD2 4.08Å |
| 85 | L | 88.3 | Confident | 80.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.1 | -37.5 | 176.1 | -95.8 | 151 | 0 | 0 | 0 | 111 | L81 M91 Y116 H135 P139 Y216 | L81-L85 HydrophobicContact CD1-CD1 4.04Å; L81-L85 HydrophobicContact CD1-CG 4.15Å; L81-L85 HydrophobicContact CG-CD1 3.87Å; L81-L85 WeakPolarHBondContact O-CB 3.21Å; L81-L85 PolarHBondContact O-N 2.72Å; L85-M91 WeakPolarHBondContact O-CE 3.34Å; L85-Y116 HydrophobicContact CB-CE1 4.46Å; L85-Y116 HydrophobicContact CD1-CE1 4.41Å; L85-Y116 WeakPolarHBondContact CD1-OH 3.48Å; L85-H135 WeakPolarHBondContact CD2-O 3.47Å; L85-H135 PolarHBondContact O-CD2 3.44Å; L85-H135 VanDerWaalsContact O-CD2 3.28Å; L85-P139 HydrophobicContact CD2-CB 3.83Å; L85-P139 HydrophobicContact CD2-CG 4.01Å; L85-Y216 HydrophobicContact CD1-CD1 3.87Å; L85-Y216 HydrophobicContact CD1-CE1 3.26Å |
| 86 | F | 80.8 | Confident | 79.9 | Confident | 16 Ų | 16 | 35.9 Ų | 35.9 | 7% | 0.07 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 26.2 | 179.8 | -67.4 | -95.6 | 0 | 0 | 0 | 113 | H83 M84 M91 F94 W105 Y116 F132 H135 F136 | H83-F86 PolarHBondContact O-N 3.47Å; M84-F86 PolarHBondContact O-N 2.75Å; F86-M91 WeakPolarHBondContact CA-SD 3.4Å; F86-M91 HydrophobicContact CB-SD 4.31Å; F86-M91 WeakPolarHBondContact O-CG 2.9Å; F86-M91 VanDerWaalsContact O-SD 3.41Å; F86-F94 AromaticContact CD1-CD1 3.99Å; F86-F94 HydrophobicContact CD1-CD1 3.99Å; F86-F94 HydrophobicContact CD1-CE1 4.3Å; F86-F94 AromaticContact CE1-CD1 3.92Å; F86-F94 HydrophobicContact CE1-CD1 3.92Å; F86-F94 AromaticContact CE1-CE1 3.91Å; F86-F94 HydrophobicContact CE1-CE1 3.91Å; F86-W105 HydrophobicContact CB-CH2 3.41Å; F86-W105 VanDerWaalsContact CB-CH2 3.41Å; F86-W105 HydrophobicContact CB-CZ2 4.07Å; F86-W105 HydrophobicContact CB-CZ3 3.91Å; F86-W105 HydrophobicContact CD1-CE3 4.4Å; F86-W105 HydrophobicContact CD1-CH2 4.23Å; F86-W105 HydrophobicContact CD1-CZ3 4.08Å; F86-W105 HydrophobicContact CD2-CH2 4.46Å; F86-W105 HydrophobicContact CD2-CZ3 4.1Å; F86-W105 HydrophobicContact CG-CE3 4.49Å; F86-W105 AromaticContact CG-CH2 3.79Å; F86-W105 HydrophobicContact CG-CH2 3.79Å; F86-W105 AromaticContact CG-CZ3 3.75Å; F86-W105 HydrophobicContact CG-CZ3 3.75Å; F86-Y116 AromaticContact CD2-CD1 3.79Å; F86-Y116 HydrophobicContact CD2-CD1 3.79Å; F86-Y116 AromaticContact CD2-CE1 3.82Å; F86-Y116 HydrophobicContact CD2-CE1 3.82Å; F86-Y116 AromaticContact CE2-CD1 3.22Å; F86-Y116 HydrophobicContact CE2-CD1 3.22Å; F86-Y116 AromaticContact CE2-CE1 3.54Å; F86-Y116 HydrophobicContact CE2-CE1 3.54Å; F86-Y116 HydrophobicContact CE2-CG 4.02Å; F86-Y116 HydrophobicContact CZ-CD1 4.09Å; F86-F132 HydrophobicContact CE1-CD2 4.03Å; F86-F132 HydrophobicContact CE1-CE2 4.32Å; F86-F132 AromaticContact CZ-CD2 3.87Å; F86-F132 HydrophobicContact CZ-CD2 3.87Å; F86-F132 AromaticContact CZ-CE2 3.78Å; F86-F132 HydrophobicContact CZ-CE2 3.78Å; F86-H135 AromaticContact CD1-CD2 3.62Å; F86-H135 AromaticContact CD1-CG 3.94Å; F86-H135 AromaticContact CD1-NE2 3.85Å; F86-H135 HydrophobicContact CE1-CB 4.09Å; F86-H135 AromaticContact CE1-CD2 3.77Å; F86-H135 AromaticContact CE1-CG 3.58Å; F86-H135 AromaticContact CE1-ND1 3.76Å; F86-H135 HydrophobicContact CE2-CB 4.3Å; F86-H135 HydrophobicContact CZ-CB 3.89Å; F86-H135 AromaticContact CZ-CG 3.91Å; F86-F136 HydrophobicContact CE2-CZ 4.27Å; F86-F136 HydrophobicContact CZ-CE2 4.32Å; F86-F136 HydrophobicContact CZ-CZ 4.18Å |
| 87 | H | 70.5 | Confident | 79.3 | Confident | 33 Ų | 33 | 38.1 Ų | 38.1 | 15% | 0.153 | 19% | 0.188 | C | C | . | . | trans | -110.6 | 132.2 | 176.3 | -156.5 | 105.6 | 0 | 0 | 0 | 114.3 | H83 M84 G145 S149 | H83-H87 WeakPolarHBondContact O-CB 3.38Å; H83-H87 PolarHBondContact O-N 2.82Å; M84-H87 PolarHBondContact O-N 3.04Å; M84-H87 HydrophobicContact SD-CB 4.35Å; H87-G145 WeakPolarHBondContact CD2-CA 3.2Å; H87-G145 WeakPolarHBondContact NE2-CA 3.33Å; H87-S149 PolarHBondContact ND1-OG 3.35Å | ||
| 88 | G | 58.1 | Low | 78.7 | Confident | 21 Ų | 21 | 38.1 Ų | 38.1 | 22% | 0.216 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 147.2 | 165.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | E90 M91 | G88-E90 PolarHBondContact O-N 3.45Å; G88-M91 WeakPolarHBondContact O-CA 3.3Å; G88-M91 WeakPolarHBondContact O-CB 3.41Å; G88-M91 VanDerWaalsContact O-CG 3.26Å; G88-M91 WeakPolarHBondContact O-CG 3.24Å; G88-M91 PolarHBondContact O-N 2.81Å |
| 89 | D | 48.4 | Very low | 77.7 | Confident | 116 Ų | 116 | 43 Ų | 43 | 62% | 0.62 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -27.4 | 177.5 | -72.9 | -48.6 | 0 | 0 | 0 | 113.4 | M91 K92 | D89-M91 PolarHBondContact O-N 2.82Å; D89-K92 VanDerWaalsContact O-CB 3.3Å; D89-K92 WeakPolarHBondContact O-CB 3.46Å; D89-K92 PolarHBondContact O-N 2.92Å |
| 90 | E | 49.7 | Very low | 76.8 | Confident | 125 Ų | 125 | 48.1 Ų | 48.1 | 58% | 0.584 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -18.9 | 171 | -70.3 | 169.4 | -157.8 | 0 | 0 | 112.2 | G88 K92 T93 | G88-E90 PolarHBondContact O-N 3.45Å; E90-K92 PolarHBondContact O-N 2.94Å; E90-T93 WeakPolarHBondContact O-CB 3.03Å; E90-T93 PolarHBondContact O-N 2.98Å; E90-T93 PolarHBondContact O-OG1 3.31Å |
| 91 | M | 49.9 | Very low | 76 | Confident | 17 Ų | 17 | 49.1 Ų | 49.1 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.1 | -14.6 | 174 | -54.4 | -68 | 167.2 | 0 | 0 | 112.8 | L85 F86 G88 D89 T93 H95 H135 P140 | L85-M91 WeakPolarHBondContact O-CE 3.34Å; F86-M91 WeakPolarHBondContact CA-SD 3.4Å; F86-M91 HydrophobicContact CB-SD 4.31Å; F86-M91 WeakPolarHBondContact O-CG 2.9Å; F86-M91 VanDerWaalsContact O-SD 3.41Å; G88-M91 WeakPolarHBondContact O-CA 3.3Å; G88-M91 WeakPolarHBondContact O-CB 3.41Å; G88-M91 VanDerWaalsContact O-CG 3.26Å; G88-M91 WeakPolarHBondContact O-CG 3.24Å; G88-M91 PolarHBondContact O-N 2.81Å; D89-M91 PolarHBondContact O-N 2.82Å; M91-T93 PolarHBondContact O-N 2.97Å; M91-T93 VanDerWaalsContact O-N 3.11Å; M91-H95 WeakPolarHBondContact O-CB 3.46Å; M91-H95 PolarHBondContact O-N 2.84Å; M91-H135 VanDerWaalsContact SD-CD2 3.52Å; M91-H135 PolarHBondContact SD-NE2 2.92Å; M91-P140 HydrophobicContact CE-CG 3.65Å |
| 92 | K | 54.4 | Low | 75 | Confident | 139 Ų | 139 | 52.5 Ų | 52.5 | 60% | 0.604 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.1 | -1.4 | 161 | -64.7 | -176.1 | 177.4 | -179.5 | 0 | 112.2 | D89 E90 H96 | D89-K92 VanDerWaalsContact O-CB 3.3Å; D89-K92 WeakPolarHBondContact O-CB 3.46Å; D89-K92 PolarHBondContact O-N 2.92Å; E90-K92 PolarHBondContact O-N 2.94Å; K92-H96 WeakPolarHBondContact O-CB 3.17Å |
| 93 | T | 75.6 | Confident | 74.1 | Confident | 74 Ų | 74 | 53 Ų | 53 | 45% | 0.454 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -91.5 | -62.3 | 167.7 | 62.6 | 0 | 0 | 0 | 0 | 111 | E90 M91 Y97 | E90-T93 WeakPolarHBondContact O-CB 3.03Å; E90-T93 PolarHBondContact O-N 2.98Å; E90-T93 PolarHBondContact O-OG1 3.31Å; M91-T93 PolarHBondContact O-N 2.97Å; M91-T93 VanDerWaalsContact O-N 3.11Å; T93-Y97 WeakPolarHBondContact O-CA 3.22Å; T93-Y97 WeakPolarHBondContact O-CB 3.44Å; T93-Y97 PolarHBondContact O-N 3.29Å |
| 94 | F | 85.4 | Confident | 73.8 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.009 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.5 | -51.5 | -176.1 | -177.4 | -114.4 | 0 | 0 | 0 | 113.7 | F86 H96 Y97 L98 W105 F118 A128 L131 F132 | F86-F94 AromaticContact CD1-CD1 3.99Å; F86-F94 HydrophobicContact CD1-CD1 3.99Å; F86-F94 HydrophobicContact CD1-CE1 4.3Å; F86-F94 AromaticContact CE1-CD1 3.92Å; F86-F94 HydrophobicContact CE1-CD1 3.92Å; F86-F94 AromaticContact CE1-CE1 3.91Å; F86-F94 HydrophobicContact CE1-CE1 3.91Å; F94-H96 PolarHBondContact O-N 3.11Å; F94-Y97 PolarHBondContact O-N 3.42Å; F94-L98 HydrophobicContact CD1-CD1 4.03Å; F94-L98 HydrophobicContact CD2-CD1 4.39Å; F94-L98 HydrophobicContact CD2-CG 4.38Å; F94-L98 HydrophobicContact CE1-CD1 3.5Å; F94-L98 HydrophobicContact CE1-CG 4.44Å; F94-L98 HydrophobicContact CE2-CD1 3.92Å; F94-L98 HydrophobicContact CE2-CD2 4.26Å; F94-L98 HydrophobicContact CE2-CG 4.08Å; F94-L98 HydrophobicContact CG-CD1 4.47Å; F94-L98 HydrophobicContact CZ-CD1 3.47Å; F94-L98 VanDerWaalsContact CZ-CD1 3.47Å; F94-L98 HydrophobicContact CZ-CD2 4.41Å; F94-L98 HydrophobicContact CZ-CG 4.14Å; F94-L98 WeakPolarHBondContact O-CG 3.43Å; F94-L98 PolarHBondContact O-N 2.97Å; F94-W105 HydrophobicContact CE1-CB 4.03Å; F94-W105 HydrophobicContact CE1-CD2 4.23Å; F94-W105 AromaticContact CE1-CG 3.92Å; F94-W105 HydrophobicContact CE1-CG 3.92Å; F94-W105 HydrophobicContact CZ-CB 4.49Å; F94-F118 HydrophobicContact CE2-CD1 4.43Å; F94-F118 HydrophobicContact CE2-CG 4.43Å; F94-F118 HydrophobicContact CZ-CB 3.96Å; F94-F118 AromaticContact CZ-CD1 3.87Å; F94-F118 HydrophobicContact CZ-CD1 3.87Å; F94-F118 HydrophobicContact CZ-CD2 4.45Å; F94-F118 HydrophobicContact CZ-CE1 4.48Å; F94-F118 AromaticContact CZ-CG 3.85Å; F94-F118 HydrophobicContact CZ-CG 3.85Å; F94-A128 HydrophobicContact CE2-CB 4.23Å; F94-A128 VanDerWaalsContact CE2-O 3.31Å; F94-A128 WeakPolarHBondContact CE2-O 3.3Å; F94-L131 HydrophobicContact CB-CB 4.17Å; F94-L131 HydrophobicContact CB-CD1 4.49Å; F94-L131 HydrophobicContact CD2-CB 3.64Å; F94-L131 HydrophobicContact CD2-CD1 4.36Å; F94-L131 HydrophobicContact CG-CB 4.31Å; F94-F132 HydrophobicContact CE1-CD2 4.29Å; F94-F132 HydrophobicContact CE2-CB 4.02Å; F94-F132 HydrophobicContact CZ-CB 4.17Å; F94-F132 AromaticContact CZ-CD2 3.9Å; F94-F132 HydrophobicContact CZ-CD2 3.9Å; F94-F132 HydrophobicContact CZ-CG 4.48Å |
| 95 | H | 81.9 | Confident | 73.7 | Confident | 79 Ų | 79 | 59.1 Ų | 59.1 | 37% | 0.366 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | -179 | 177.8 | 55.4 | 0 | 0 | 0 | 111.5 | M91 L98 Q99 W105 | M91-H95 WeakPolarHBondContact O-CB 3.46Å; M91-H95 PolarHBondContact O-N 2.84Å; H95-L98 PolarHBondContact O-N 3.21Å; H95-Q99 PolarHBondContact CE1-NE2 2.93Å; H95-Q99 VanDerWaalsContact CE1-NE2 3.34Å; H95-Q99 VanDerWaalsContact NE2-CD 3.33Å; H95-Q99 PolarHBondContact NE2-NE2 3.31Å; H95-Q99 VanDerWaalsContact NE2-NE2 3.12Å; H95-Q99 PolarHBondContact NE2-OE1 3.38Å; H95-Q99 WeakPolarHBondContact O-CG 3.28Å; H95-Q99 PolarHBondContact O-N 2.76Å; H95-W105 AromaticContact CG-NE1 3.81Å; H95-W105 AromaticContact ND1-CD1 3.73Å; H95-W105 AromaticContact ND1-NE1 3.11Å; H95-W105 PolarHBondContact ND1-NE1 3.28Å; H95-W105 VanDerWaalsContact ND1-NE1 3.11Å |
| 96 | H | 80 | Confident | 73.7 | Confident | 66 Ų | 66 | 61.9 Ų | 61.9 | 31% | 0.306 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 177.8 | -163.4 | -100.6 | 0 | 0 | 0 | 111.6 | K92 F94 L98 Q99 E100 | K92-H96 WeakPolarHBondContact O-CB 3.17Å; F94-H96 PolarHBondContact O-N 3.11Å; H96-L98 VanDerWaalsContact C-N 3.25Å; H96-L98 PolarHBondContact O-N 3.08Å; H96-Q99 CarbonylContact O-C 3.6Å; H96-Q99 WeakPolarHBondContact O-CA 3.31Å; H96-Q99 PolarHBondContact O-N 3.28Å; H96-E100 IonicContact CE1-OE1 2.7Å; H96-E100 PolarHBondContact CE1-OE1 3.18Å; H96-E100 IonicContact CE1-OE2 3.23Å; H96-E100 IonicContact ND1-OE1 3.44Å; H96-E100 PolarHBondContact ND1-OE1 3.46Å; H96-E100 IonicContact ND1-OE2 2.81Å; H96-E100 PolarHBondContact ND1-OE2 3.05Å; H96-E100 WeakPolarHBondContact O-CB 3.45Å; H96-E100 WeakPolarHBondContact O-CG 3.43Å; H96-E100 PolarHBondContact O-N 3.39Å |
| 97 | Y | 84.3 | Confident | 74.2 | Confident | 47 Ų | 47 | 61.9 Ų | 61.9 | 18% | 0.184 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.2 | -40.2 | 177 | -174.6 | -90 | 0 | 0 | 0 | 110.7 | T93 F94 N101 I120 Y124 E127 A128 L131 | T93-Y97 WeakPolarHBondContact O-CA 3.22Å; T93-Y97 WeakPolarHBondContact O-CB 3.44Å; T93-Y97 PolarHBondContact O-N 3.29Å; F94-Y97 PolarHBondContact O-N 3.42Å; Y97-N101 VanDerWaalsContact O-CB 3.24Å; Y97-N101 WeakPolarHBondContact O-CB 3.21Å; Y97-N101 PolarHBondContact O-N 2.89Å; Y97-N101 PolarHBondContact O-ND2 3.3Å; Y97-I120 HydrophobicContact CD1-CD1 4.07Å; Y97-I120 HydrophobicContact CE1-CD1 3.85Å; Y97-Y124 WeakPolarHBondContact CE1-O 3.29Å; Y97-Y124 WeakPolarHBondContact OH-CB 3.39Å; Y97-Y124 PolarHBondContact OH-O 3.36Å; Y97-E127 HydrophobicContact CE1-CB 4.06Å; Y97-E127 HydrophobicContact CE1-CG 4.32Å; Y97-E127 HydrophobicContact CE2-CB 4.29Å; Y97-E127 HydrophobicContact CE2-CG 3.93Å; Y97-E127 VanDerWaalsContact OH-CB 3.32Å; Y97-E127 WeakPolarHBondContact OH-CB 3.28Å; Y97-A128 HydrophobicContact CD1-CB 4.12Å; Y97-A128 HydrophobicContact CE1-CB 3.99Å; Y97-L131 HydrophobicContact CD1-CD1 4.35Å; Y97-L131 HydrophobicContact CG-CD1 4.09Å |
| 98 | L | 84.8 | Confident | 75.3 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.1 | -50 | 171.1 | -68.8 | 175.7 | 0 | 0 | 0 | 111.3 | F94 H95 H96 E100 N101 N102 G103 W105 F118 I120 A128 | F94-L98 HydrophobicContact CD1-CD1 4.03Å; F94-L98 HydrophobicContact CD2-CD1 4.39Å; F94-L98 HydrophobicContact CD2-CG 4.38Å; F94-L98 HydrophobicContact CE1-CD1 3.5Å; F94-L98 HydrophobicContact CE1-CG 4.44Å; F94-L98 HydrophobicContact CE2-CD1 3.92Å; F94-L98 HydrophobicContact CE2-CD2 4.26Å; F94-L98 HydrophobicContact CE2-CG 4.08Å; F94-L98 HydrophobicContact CG-CD1 4.47Å; F94-L98 HydrophobicContact CZ-CD1 3.47Å; F94-L98 VanDerWaalsContact CZ-CD1 3.47Å; F94-L98 HydrophobicContact CZ-CD2 4.41Å; F94-L98 HydrophobicContact CZ-CG 4.14Å; F94-L98 WeakPolarHBondContact O-CG 3.43Å; F94-L98 PolarHBondContact O-N 2.97Å; H95-L98 PolarHBondContact O-N 3.21Å; H96-L98 VanDerWaalsContact C-N 3.25Å; H96-L98 PolarHBondContact O-N 3.08Å; L98-E100 PolarHBondContact O-N 2.74Å; L98-N101 CarbonylContact O-C 3.59Å; L98-N101 PolarHBondContact O-N 3.36Å; L98-N101 VanDerWaalsContact O-N 3.1Å; L98-N102 PolarHBondContact O-N 3.02Å; L98-N102 VanDerWaalsContact O-N 3.14Å; L98-G103 WeakPolarHBondContact O-CA 3.42Å; L98-G103 PolarHBondContact O-N 3.39Å; L98-W105 HydrophobicContact CD1-CB 3.49Å; L98-W105 VanDerWaalsContact CD1-CB 3.49Å; L98-W105 VanDerWaalsContact CD1-CD1 3.44Å; L98-W105 HydrophobicContact CD1-CG 3.68Å; L98-F118 HydrophobicContact CD1-CB 4.2Å; L98-F118 HydrophobicContact CD2-CD2 3.95Å; L98-I120 HydrophobicContact CD2-CB 3.94Å; L98-I120 HydrophobicContact CD2-CD1 3.74Å; L98-I120 HydrophobicContact CD2-CG1 4.32Å; L98-A128 HydrophobicContact CD2-CB 4.13Å |
| 99 | Q | 75.9 | Confident | 77.1 | Confident | 103 Ų | 103 | 67 Ų | 67 | 48% | 0.481 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.1 | -43.3 | -179.3 | -75.7 | -178.9 | -40.2 | 0 | 0 | 113.4 | H95 H96 N101 | H95-Q99 PolarHBondContact CE1-NE2 2.93Å; H95-Q99 VanDerWaalsContact CE1-NE2 3.34Å; H95-Q99 VanDerWaalsContact NE2-CD 3.33Å; H95-Q99 PolarHBondContact NE2-NE2 3.31Å; H95-Q99 VanDerWaalsContact NE2-NE2 3.12Å; H95-Q99 PolarHBondContact NE2-OE1 3.38Å; H95-Q99 WeakPolarHBondContact O-CG 3.28Å; H95-Q99 PolarHBondContact O-N 2.76Å; H96-Q99 CarbonylContact O-C 3.6Å; H96-Q99 WeakPolarHBondContact O-CA 3.31Å; H96-Q99 PolarHBondContact O-N 3.28Å; Q99-N101 PolarHBondContact O-N 3.18Å |
| 100 | E | 78.6 | Confident | 79.3 | Confident | 122 Ų | 122 | 62.8 Ų | 62.8 | 57% | 0.57 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -68.1 | -24.3 | 178.5 | -71.5 | -179.6 | 131.3 | 0 | 0 | 113 | H96 L98 | H96-E100 IonicContact CE1-OE1 2.7Å; H96-E100 PolarHBondContact CE1-OE1 3.18Å; H96-E100 IonicContact CE1-OE2 3.23Å; H96-E100 IonicContact ND1-OE1 3.44Å; H96-E100 PolarHBondContact ND1-OE1 3.46Å; H96-E100 IonicContact ND1-OE2 2.81Å; H96-E100 PolarHBondContact ND1-OE2 3.05Å; H96-E100 WeakPolarHBondContact O-CB 3.45Å; H96-E100 WeakPolarHBondContact O-CG 3.43Å; H96-E100 PolarHBondContact O-N 3.39Å; L98-E100 PolarHBondContact O-N 2.74Å |
| 101 | N | 79 | Confident | 81.6 | Confident | 21 Ų | 21 | 57.5 Ų | 57.5 | 11% | 0.112 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 22.9 | -172.7 | -65.5 | -66.9 | 0 | 0 | 0 | 113.1 | Y97 L98 Q99 G103 I120 T121 Y124 | Y97-N101 VanDerWaalsContact O-CB 3.24Å; Y97-N101 WeakPolarHBondContact O-CB 3.21Å; Y97-N101 PolarHBondContact O-N 2.89Å; Y97-N101 PolarHBondContact O-ND2 3.3Å; L98-N101 CarbonylContact O-C 3.59Å; L98-N101 PolarHBondContact O-N 3.36Å; L98-N101 VanDerWaalsContact O-N 3.1Å; Q99-N101 PolarHBondContact O-N 3.18Å; N101-G103 VanDerWaalsContact C-N 3.26Å; N101-G103 PolarHBondContact O-N 3.12Å; N101-I120 HydrophobicContact CB-CD1 3.61Å; N101-I120 HydrophobicContact CB-CG1 4.18Å; N101-T121 PolarHBondContact O-OG1 3.23Å; N101-Y124 HydrophobicContact CB-CD2 3.51Å; N101-Y124 HydrophobicContact CB-CE2 4.06Å; N101-Y124 HydrophobicContact CB-CG 3.79Å; N101-Y124 WeakPolarHBondContact OD1-CD1 3.23Å; N101-Y124 VanDerWaalsContact OD1-CD2 3.3Å; N101-Y124 WeakPolarHBondContact OD1-CD2 3.09Å; N101-Y124 WeakPolarHBondContact OD1-CE1 3.28Å; N101-Y124 WeakPolarHBondContact OD1-CE2 3.37Å |
| 102 | N | 74.2 | Confident | 83.7 | Confident | 71 Ų | 71 | 57 Ų | 57 | 38% | 0.38 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 43.1 | 179.7 | -70.6 | -27 | 0 | 0 | 0 | 112.9 | L98 Q896 | L98-N102 PolarHBondContact O-N 3.02Å; L98-N102 VanDerWaalsContact O-N 3.14Å; N102-Q896 PolarHBondContact ND2-OE1 3.29Å |
| 103 | G | 76.8 | Confident | 85.7 | Confident | 19 Ų | 19 | 51 Ų | 51 | 20% | 0.196 | 25% | 0.25 | C | C | . | . | trans | -100.9 | 159.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L98 N101 S119 | L98-G103 WeakPolarHBondContact O-CA 3.42Å; L98-G103 PolarHBondContact O-N 3.39Å; N101-G103 VanDerWaalsContact C-N 3.26Å; N101-G103 PolarHBondContact O-N 3.12Å; G103-S119 CarbonylContact C-O 3.57Å; G103-S119 WeakPolarHBondContact CA-O 3.49Å | ||
| 104 | Y | 82.4 | Confident | 86.8 | Confident | 111 Ų | 111 | 47.5 Ų | 47.5 | 44% | 0.435 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 146.6 | 175.4 | 178.9 | -96.1 | 0 | 0 | 0 | 108.8 | D106 Y117 F118 S119 | Y104-D106 HydrophobicContact CE1-CB 3.78Å; Y104-D106 PolarHBondContact OH-OD2 3.37Å; Y104-Y117 HydrophobicContact CD1-CE2 4.49Å; Y104-Y117 HydrophobicContact CE1-CE2 4.01Å; Y104-F118 CarbonylContact O-C 3.52Å; Y104-F118 WeakPolarHBondContact O-CA 3.32Å; Y104-F118 VanDerWaalsContact O-CB 3.25Å; Y104-F118 WeakPolarHBondContact O-CB 3.27Å; Y104-S119 PolarHBondContact N-O 3.37Å; Y104-S119 PolarHBondContact O-N 2.96Å |
| 105 | W | 88.5 | Confident | 87.4 | Confident | 58 Ų | 58 | 48.1 Ų | 48.1 | 22% | 0.22 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 158.8 | 167.5 | 76.9 | -76.3 | 0 | 0 | 0 | 110.4 | F86 F94 H95 L98 Y117 F118 | F86-W105 HydrophobicContact CB-CH2 3.41Å; F86-W105 VanDerWaalsContact CB-CH2 3.41Å; F86-W105 HydrophobicContact CB-CZ2 4.07Å; F86-W105 HydrophobicContact CB-CZ3 3.91Å; F86-W105 HydrophobicContact CD1-CE3 4.4Å; F86-W105 HydrophobicContact CD1-CH2 4.23Å; F86-W105 HydrophobicContact CD1-CZ3 4.08Å; F86-W105 HydrophobicContact CD2-CH2 4.46Å; F86-W105 HydrophobicContact CD2-CZ3 4.1Å; F86-W105 HydrophobicContact CG-CE3 4.49Å; F86-W105 AromaticContact CG-CH2 3.79Å; F86-W105 HydrophobicContact CG-CH2 3.79Å; F86-W105 AromaticContact CG-CZ3 3.75Å; F86-W105 HydrophobicContact CG-CZ3 3.75Å; F94-W105 HydrophobicContact CE1-CB 4.03Å; F94-W105 HydrophobicContact CE1-CD2 4.23Å; F94-W105 AromaticContact CE1-CG 3.92Å; F94-W105 HydrophobicContact CE1-CG 3.92Å; F94-W105 HydrophobicContact CZ-CB 4.49Å; H95-W105 AromaticContact CG-NE1 3.81Å; H95-W105 AromaticContact ND1-CD1 3.73Å; H95-W105 AromaticContact ND1-NE1 3.11Å; H95-W105 PolarHBondContact ND1-NE1 3.28Å; H95-W105 VanDerWaalsContact ND1-NE1 3.11Å; L98-W105 HydrophobicContact CD1-CB 3.49Å; L98-W105 VanDerWaalsContact CD1-CB 3.49Å; L98-W105 VanDerWaalsContact CD1-CD1 3.44Å; L98-W105 HydrophobicContact CD1-CG 3.68Å; W105-Y117 VanDerWaalsContact CA-O 3.22Å; W105-Y117 WeakPolarHBondContact CA-O 3.24Å; W105-Y117 WeakPolarHBondContact CB-O 3.4Å; W105-F118 HydrophobicContact CB-CB 3.65Å |
| 106 | D | 88.6 | Confident | 88.1 | Confident | 59 Ų | 59 | 44.4 Ų | 44.4 | 32% | 0.316 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 173.8 | 174.7 | -150.2 | -15.7 | 0 | 0 | 0 | 109.9 | Y104 Y117 | Y104-D106 HydrophobicContact CE1-CB 3.78Å; Y104-D106 PolarHBondContact OH-OD2 3.37Å; D106-Y117 HydrophobicContact CB-CE1 3.92Å; D106-Y117 HydrophobicContact CB-CE2 3.76Å; D106-Y117 VanDerWaalsContact CB-CZ 3.43Å; D106-Y117 WeakPolarHBondContact CB-OH 3.4Å; D106-Y117 PolarHBondContact N-O 2.81Å; D106-Y117 PolarHBondContact O-N 2.86Å; D106-Y117 PolarHBondContact OD2-OH 2.87Å |
| 107 | S | 92.3 | Very high | 88.9 | Confident | 16 Ų | 16 | 42.8 Ų | 42.8 | 11% | 0.112 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 161.2 | 177.4 | 43.5 | 0 | 0 | 0 | 0 | 111.8 | E82 L115 | E82-S107 VanDerWaalsContact CD-OG 3.28Å; E82-S107 VanDerWaalsContact OE1-CB 3.31Å; E82-S107 WeakPolarHBondContact OE1-CB 3.3Å; E82-S107 PolarHBondContact OE1-OG 3.14Å; S107-L115 CarbonylContact C-O 3.46Å; S107-L115 WeakPolarHBondContact CA-O 3.3Å; S107-L115 WeakPolarHBondContact CB-O 3.45Å |
| 108 | K | 93.4 | Very high | 89.4 | Confident | 136 Ų | 136 | 40.6 Ų | 40.6 | 59% | 0.591 | 20% | 0.197 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 125.8 | 179.7 | -178.1 | -179 | 175.4 | -172.2 | 0 | 110.8 | T114 L115 | K108-T114 WeakPolarHBondContact O-CA 3.32Å; K108-L115 PolarHBondContact N-O 2.93Å; K108-L115 PolarHBondContact O-N 3.48Å |
| 109 | T | 95.6 | Very high | 89.6 | Confident | 25 Ų | 25 | 41 Ų | 41 | 15% | 0.153 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 130.6 | 166.8 | -51.9 | 0 | 0 | 0 | 0 | 110.8 | H79 E82 | H79-T109 WeakPolarHBondContact CA-OG1 3.28Å; H79-T109 HydrophobicContact CB-CG2 4.3Å; E82-T109 VanDerWaalsContact CB-OG1 3.26Å; E82-T109 WeakPolarHBondContact CB-OG1 2.83Å; E82-T109 PolarHBondContact OE2-N 3.01Å; E82-T109 VanDerWaalsContact OE2-N 3.14Å; E82-T109 PolarHBondContact OE2-OG1 3.07Å |
| 110 | S | 95.2 | Very high | 90.1 | Very high | 27 Ų | 27 | 36.1 Ų | 36.1 | 19% | 0.189 | 18% | 0.177 | C | C | . | . | trans | -118.5 | -168.1 | 172 | 70.3 | 0 | 0 | 0 | 0 | 110.4 | G66 S67 H113 D337 | G66-S110 WeakPolarHBondContact CA-O 3.28Å; S67-S110 PolarHBondContact N-O 2.95Å; S110-H113 PolarHBondContact N-O 3.35Å; S110-H113 PolarHBondContact OG-N 3.42Å; S110-H113 PolarHBondContact OG-O 3.17Å; S110-H113 VanDerWaalsContact OG-O 3.12Å; S110-D337 WeakPolarHBondContact CB-OD1 3.49Å; S110-D337 WeakPolarHBondContact CB-OD2 3.3Å; S110-D337 PolarHBondContact OG-OD2 3.45Å | ||
| 111 | N | 96.3 | Very high | 90.3 | Very high | 15 Ų | 15 | 31.5 Ų | 31.5 | 8% | 0.08 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -68.6 | -40.7 | -176 | -67 | -23.4 | 0 | 0 | 0 | 112.9 | G66 S67 F68 D337 F338 | G66-N111 CarbonylContact C-O 3.54Å; G66-N111 WeakPolarHBondContact CA-O 3.35Å; S67-N111 PolarHBondContact N-O 3.26Å; S67-N111 WeakPolarHBondContact OG-CA 3.29Å; S67-N111 PolarHBondContact OG-OD1 3.29Å; F68-N111 VanDerWaalsContact CB-O 3.26Å; F68-N111 WeakPolarHBondContact CB-O 3.28Å; F68-N111 HydrophobicContact CD1-CB 3.74Å; F68-N111 HydrophobicContact CD2-CB 3.95Å; F68-N111 HydrophobicContact CE1-CB 3.55Å; F68-N111 VanDerWaalsContact CE1-CG 3.47Å; F68-N111 HydrophobicContact CE2-CB 3.78Å; F68-N111 HydrophobicContact CG-CB 3.94Å; F68-N111 WeakPolarHBondContact CG-O 3.29Å; F68-N111 HydrophobicContact CZ-CB 3.58Å; F68-N111 PolarHBondContact N-O 2.93Å; N111-D337 HydrophobicContact CB-CB 4.17Å; N111-D337 WeakPolarHBondContact CB-OD1 3.4Å; N111-D337 VanDerWaalsContact N-CG 3.26Å; N111-D337 PolarHBondContact N-OD1 3.28Å; N111-D337 PolarHBondContact N-OD2 2.83Å; N111-D337 PolarHBondContact ND2-O 2.97Å; N111-F338 WeakPolarHBondContact ND2-CA 3.24Å; N111-F338 PolarHBondContact ND2-N 3.09Å |
| 112 | E | 95.8 | Very high | 90.6 | Very high | 7 Ų | 7 | 34 Ų | 34 | 3% | 0.033 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -116.2 | -11.6 | -175.8 | -63.7 | -174 | 136.5 | 0 | 0 | 112.8 | N64 V65 G66 F68 L255 D337 S341 T342 | N64-E112 CarbonylContact C-O 3.4Å; N64-E112 PolarHBondContact OD1-O 2.84Å; V65-E112 CarbonylContact C-O 3.59Å; V65-E112 VanDerWaalsContact CA-O 3.3Å; V65-E112 WeakPolarHBondContact CA-O 3.42Å; V65-E112 PolarHBondContact N-O 2.79Å; G66-E112 PolarHBondContact N-O 3.41Å; F68-E112 HydrophobicContact CD2-CG 3.77Å; F68-E112 HydrophobicContact CE2-CG 4.32Å; E112-L255 HydrophobicContact CG-CD1 4.18Å; E112-L255 VanDerWaalsContact OE1-CD1 3.28Å; E112-L255 WeakPolarHBondContact OE1-CD1 3.42Å; E112-D337 HydrophobicContact CB-CB 4.31Å; E112-D337 HydrophobicContact CG-CB 4.32Å; E112-D337 PolarHBondContact N-OD2 3.5Å; E112-S341 WeakPolarHBondContact OE2-CA 3.4Å; E112-T342 WeakPolarHBondContact OE1-CB 3.24Å; E112-T342 PolarHBondContact OE1-N 2.67Å; E112-T342 VanDerWaalsContact OE1-N 3.1Å; E112-T342 PolarHBondContact OE1-OG1 2.81Å; E112-T342 PolarHBondContact OE2-N 3.07Å; E112-T342 VanDerWaalsContact OE2-N 3.09Å |
| 113 | H | 96.1 | Very high | 91.1 | Very high | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.056 | 18% | 0.183 | C | C | . | . | trans | -131.6 | 155.1 | -174.4 | -53.1 | 87.4 | 0 | 0 | 0 | 113.4 | V63 V65 S110 D337 H443 H444 | V63-H113 CarbonylContact O-C 3.6Å; V63-H113 VanDerWaalsContact O-CA 3.25Å; V63-H113 WeakPolarHBondContact O-CA 3.45Å; V65-H113 CarbonylContact O-C 3.56Å; V65-H113 WeakPolarHBondContact O-CA 3.48Å; S110-H113 PolarHBondContact N-O 3.35Å; S110-H113 PolarHBondContact OG-N 3.42Å; S110-H113 PolarHBondContact OG-O 3.17Å; S110-H113 VanDerWaalsContact OG-O 3.12Å; H113-D337 IonicContact ND1-OD2 3.98Å; H113-H443 AromaticContact CD2-CD2 3.86Å; H113-H444 AromaticContact CE1-CE1 3.44Å; H113-H444 PolarHBondContact CE1-CE1 3.04Å; H113-H444 VanDerWaalsContact CE1-CE1 3.44Å; H113-H444 AromaticContact CE1-NE2 3.32Å; H113-H444 PolarHBondContact CE1-NE2 3.16Å; H113-H444 VanDerWaalsContact CE1-NE2 3.32Å; H113-H444 AromaticContact NE2-CE1 3.72Å; H113-H444 AromaticContact NE2-NE2 3.49Å; H113-H444 PolarHBondContact NE2-NE2 3.41Å | ||
| 114 | T | 97.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 120.2 | 165.6 | -47.7 | 0 | 0 | 0 | 0 | 109 | C62 V63 V65 E82 K108 Y116 Y216 | C62-T114 WeakPolarHBondContact CA-O 3.34Å; V63-T114 PolarHBondContact N-O 3.13Å; V63-T114 PolarHBondContact O-N 3.36Å; V65-T114 PolarHBondContact O-N 2.98Å; V65-T114 PolarHBondContact O-OG1 3.01Å; E82-T114 HydrophobicContact CB-CG2 3.91Å; E82-T114 HydrophobicContact CG-CG2 3.84Å; K108-T114 WeakPolarHBondContact O-CA 3.32Å; T114-Y116 HydrophobicContact CG2-CD2 4.47Å; T114-Y116 HydrophobicContact CG2-CE1 4.5Å; T114-Y116 HydrophobicContact CG2-CE2 3.56Å; T114-Y116 WeakPolarHBondContact CG2-OH 3.37Å; T114-Y216 WeakPolarHBondContact CB-OH 3.38Å; T114-Y216 WeakPolarHBondContact CG2-OH 3.45Å; T114-Y216 PolarHBondContact OG1-OH 3.18Å |
| 115 | L | 97.6 | Very high | 92.2 | Very high | 16 Ų | 16 | 35.2 Ų | 35.2 | 8% | 0.084 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 135.4 | -176 | 179.2 | 74.1 | 0 | 0 | 0 | 110.3 | A60 C62 S107 K108 Y117 I436 A439 | A60-L115 HydrophobicContact CB-CD1 4.27Å; C62-L115 HydrophobicContact CB-CD1 3.77Å; S107-L115 CarbonylContact C-O 3.46Å; S107-L115 WeakPolarHBondContact CA-O 3.3Å; S107-L115 WeakPolarHBondContact CB-O 3.45Å; K108-L115 PolarHBondContact N-O 2.93Å; K108-L115 PolarHBondContact O-N 3.48Å; L115-Y117 HydrophobicContact CD2-CD1 3.92Å; L115-Y117 HydrophobicContact CD2-CE1 4.22Å; L115-Y117 HydrophobicContact CG-CD1 4.06Å; L115-I436 HydrophobicContact CD2-CB 4.39Å; L115-I436 HydrophobicContact CD2-CG1 4.27Å; L115-I436 HydrophobicContact CD2-CG2 3.71Å; L115-A439 HydrophobicContact CD1-CB 4.29Å |
| 116 | Y | 97.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 137.1 | 171.8 | -55.6 | -93.2 | 0 | 0 | 0 | 108.8 | A60 L61 V63 E82 L85 F86 T114 F136 Y216 | A60-Y116 CarbonylContact C-O 3.56Å; A60-Y116 VanDerWaalsContact CA-O 3.24Å; A60-Y116 WeakPolarHBondContact CA-O 3.36Å; L61-Y116 PolarHBondContact N-O 3.19Å; L61-Y116 PolarHBondContact O-N 2.91Å; V63-Y116 HydrophobicContact CG2-CE2 4.33Å; E82-Y116 VanDerWaalsContact CA-OH 3.24Å; E82-Y116 WeakPolarHBondContact CA-OH 3.38Å; E82-Y116 HydrophobicContact CB-CE1 4.32Å; E82-Y116 HydrophobicContact CG-CE1 3.66Å; L85-Y116 HydrophobicContact CB-CE1 4.46Å; L85-Y116 HydrophobicContact CD1-CE1 4.41Å; L85-Y116 WeakPolarHBondContact CD1-OH 3.48Å; F86-Y116 AromaticContact CD2-CD1 3.79Å; F86-Y116 HydrophobicContact CD2-CD1 3.79Å; F86-Y116 AromaticContact CD2-CE1 3.82Å; F86-Y116 HydrophobicContact CD2-CE1 3.82Å; F86-Y116 AromaticContact CE2-CD1 3.22Å; F86-Y116 HydrophobicContact CE2-CD1 3.22Å; F86-Y116 AromaticContact CE2-CE1 3.54Å; F86-Y116 HydrophobicContact CE2-CE1 3.54Å; F86-Y116 HydrophobicContact CE2-CG 4.02Å; F86-Y116 HydrophobicContact CZ-CD1 4.09Å; T114-Y116 HydrophobicContact CG2-CD2 4.47Å; T114-Y116 HydrophobicContact CG2-CE1 4.5Å; T114-Y116 HydrophobicContact CG2-CE2 3.56Å; T114-Y116 WeakPolarHBondContact CG2-OH 3.37Å; Y116-F136 HydrophobicContact CD1-CZ 4.43Å; Y116-F136 AromaticContact CD2-CE1 3.64Å; Y116-F136 HydrophobicContact CD2-CE1 3.64Å; Y116-F136 AromaticContact CD2-CZ 3.68Å; Y116-F136 HydrophobicContact CD2-CZ 3.68Å; Y116-F136 AromaticContact CE2-CE1 3.79Å; Y116-F136 HydrophobicContact CE2-CE1 3.79Å; Y116-F136 HydrophobicContact CE2-CZ 4.27Å; Y116-F136 HydrophobicContact CG-CE1 4.15Å; Y116-F136 AromaticContact CG-CZ 3.78Å; Y116-F136 HydrophobicContact CG-CZ 3.78Å; Y116-Y216 HydrophobicContact CE2-CE1 4.07Å; Y116-Y216 PolarHBondContact OH-OH 2.96Å |
| 117 | Y | 96.4 | Very high | 92.7 | Very high | 33 Ų | 33 | 37 Ų | 37 | 13% | 0.129 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 154.6 | -179.6 | 60.5 | -88.2 | 0 | 0 | 0 | 112.6 | A59 Y104 W105 D106 L115 Q432 I436 | A59-Y117 CarbonylContact O-C 3.59Å; A59-Y117 VanDerWaalsContact O-CA 3.24Å; A59-Y117 WeakPolarHBondContact O-CA 3.35Å; Y104-Y117 HydrophobicContact CD1-CE2 4.49Å; Y104-Y117 HydrophobicContact CE1-CE2 4.01Å; W105-Y117 VanDerWaalsContact CA-O 3.22Å; W105-Y117 WeakPolarHBondContact CA-O 3.24Å; W105-Y117 WeakPolarHBondContact CB-O 3.4Å; D106-Y117 HydrophobicContact CB-CE1 3.92Å; D106-Y117 HydrophobicContact CB-CE2 3.76Å; D106-Y117 VanDerWaalsContact CB-CZ 3.43Å; D106-Y117 WeakPolarHBondContact CB-OH 3.4Å; D106-Y117 PolarHBondContact N-O 2.81Å; D106-Y117 PolarHBondContact O-N 2.86Å; D106-Y117 PolarHBondContact OD2-OH 2.87Å; L115-Y117 HydrophobicContact CD2-CD1 3.92Å; L115-Y117 HydrophobicContact CD2-CE1 4.22Å; L115-Y117 HydrophobicContact CG-CD1 4.06Å; Y117-Q432 HydrophobicContact CD2-CG 3.88Å; Y117-Q432 HydrophobicContact CE2-CG 4.09Å; Y117-I436 HydrophobicContact CD1-CD1 3.92Å; Y117-I436 HydrophobicContact CD1-CG1 3.86Å; Y117-I436 HydrophobicContact CD2-CD1 3.58Å; Y117-I436 HydrophobicContact CD2-CG1 3.99Å; Y117-I436 HydrophobicContact CE1-CD1 3.94Å; Y117-I436 HydrophobicContact CE1-CG1 4.32Å; Y117-I436 HydrophobicContact CE2-CD1 3.56Å; Y117-I436 HydrophobicContact CE2-CG1 4.41Å; Y117-I436 HydrophobicContact CG-CD1 3.73Å; Y117-I436 HydrophobicContact CG-CG1 3.65Å |
| 118 | F | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 157.7 | 172.8 | 75.5 | -88.1 | 0 | 0 | 0 | 111.8 | A58 A59 F94 L98 Y104 W105 I120 F125 A128 L129 F132 | A58-F118 CarbonylContact C-O 3.58Å; A58-F118 VanDerWaalsContact CA-O 3.22Å; A58-F118 WeakPolarHBondContact CA-O 3.45Å; A58-F118 WeakPolarHBondContact CB-O 3.3Å; A59-F118 HydrophobicContact CB-CD1 4.22Å; A59-F118 HydrophobicContact CB-CE1 3.61Å; A59-F118 HydrophobicContact CB-CZ 3.96Å; A59-F118 PolarHBondContact N-O 2.82Å; A59-F118 PolarHBondContact O-N 2.92Å; F94-F118 HydrophobicContact CE2-CD1 4.43Å; F94-F118 HydrophobicContact CE2-CG 4.43Å; F94-F118 HydrophobicContact CZ-CB 3.96Å; F94-F118 AromaticContact CZ-CD1 3.87Å; F94-F118 HydrophobicContact CZ-CD1 3.87Å; F94-F118 HydrophobicContact CZ-CD2 4.45Å; F94-F118 HydrophobicContact CZ-CE1 4.48Å; F94-F118 AromaticContact CZ-CG 3.85Å; F94-F118 HydrophobicContact CZ-CG 3.85Å; L98-F118 HydrophobicContact CD1-CB 4.2Å; L98-F118 HydrophobicContact CD2-CD2 3.95Å; Y104-F118 CarbonylContact O-C 3.52Å; Y104-F118 WeakPolarHBondContact O-CA 3.32Å; Y104-F118 VanDerWaalsContact O-CB 3.25Å; Y104-F118 WeakPolarHBondContact O-CB 3.27Å; W105-F118 HydrophobicContact CB-CB 3.65Å; F118-I120 HydrophobicContact CD2-CG2 4.05Å; F118-I120 HydrophobicContact CE2-CG2 3.8Å; F118-F125 AromaticContact CE2-CD2 3.74Å; F118-F125 HydrophobicContact CE2-CD2 3.74Å; F118-F125 AromaticContact CE2-CE2 3.59Å; F118-F125 HydrophobicContact CE2-CE2 3.59Å; F118-F125 HydrophobicContact CZ-CD2 4.13Å; F118-F125 AromaticContact CZ-CE2 3.64Å; F118-F125 HydrophobicContact CZ-CE2 3.64Å; F118-F125 HydrophobicContact CZ-CZ 4.46Å; F118-A128 HydrophobicContact CD2-CB 4.27Å; F118-A128 HydrophobicContact CE2-CB 3.62Å; F118-A128 HydrophobicContact CZ-CB 4.13Å; F118-L129 HydrophobicContact CE1-CD1 4.14Å; F118-L129 HydrophobicContact CZ-CB 4.13Å; F118-L129 HydrophobicContact CZ-CD1 4.01Å; F118-F132 HydrophobicContact CD1-CB 4.19Å; F118-F132 HydrophobicContact CD1-CD1 4.27Å; F118-F132 AromaticContact CD1-CD2 3.8Å; F118-F132 HydrophobicContact CD1-CD2 3.8Å; F118-F132 HydrophobicContact CD1-CE2 4.18Å; F118-F132 AromaticContact CD1-CG 3.84Å; F118-F132 HydrophobicContact CD1-CG 3.84Å; F118-F132 HydrophobicContact CE1-CB 3.68Å; F118-F132 AromaticContact CE1-CD1 3.84Å; F118-F132 HydrophobicContact CE1-CD1 3.84Å; F118-F132 HydrophobicContact CE1-CD2 4.08Å; F118-F132 HydrophobicContact CE1-CE1 4.47Å; F118-F132 AromaticContact CE1-CG 3.61Å; F118-F132 HydrophobicContact CE1-CG 3.61Å; F118-F132 HydrophobicContact CZ-CB 4.48Å |
| 119 | S | 89 | Confident | 92.8 | Very high | 10 Ų | 10 | 29.9 Ų | 29.9 | 7% | 0.07 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 147.2 | 168.8 | 60.6 | 0 | 0 | 0 | 0 | 109.5 | S57 G103 Y104 Q432 | S57-S119 CarbonylContact O-C 3.59Å; S57-S119 VanDerWaalsContact O-CA 3.3Å; S57-S119 WeakPolarHBondContact O-CA 3.34Å; G103-S119 CarbonylContact C-O 3.57Å; G103-S119 WeakPolarHBondContact CA-O 3.49Å; Y104-S119 PolarHBondContact N-O 3.37Å; Y104-S119 PolarHBondContact O-N 2.96Å; S119-Q432 PolarHBondContact OG-OE1 3.19Å |
| 120 | I | 88 | Confident | 92.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 156.9 | -179 | -175.8 | 163.8 | 0 | 0 | 0 | 110.2 | L56 S57 Y97 L98 N101 F118 E122 F125 A128 | L56-I120 WeakPolarHBondContact CA-O 3.41Å; S57-I120 PolarHBondContact N-O 3.09Å; S57-I120 PolarHBondContact O-N 3.01Å; Y97-I120 HydrophobicContact CD1-CD1 4.07Å; Y97-I120 HydrophobicContact CE1-CD1 3.85Å; L98-I120 HydrophobicContact CD2-CB 3.94Å; L98-I120 HydrophobicContact CD2-CD1 3.74Å; L98-I120 HydrophobicContact CD2-CG1 4.32Å; N101-I120 HydrophobicContact CB-CD1 3.61Å; N101-I120 HydrophobicContact CB-CG1 4.18Å; F118-I120 HydrophobicContact CD2-CG2 4.05Å; F118-I120 HydrophobicContact CE2-CG2 3.8Å; I120-E122 PolarHBondContact O-N 2.81Å; I120-F125 HydrophobicContact CG2-CB 4.12Å; I120-F125 HydrophobicContact CG2-CD2 3.71Å; I120-F125 HydrophobicContact CG2-CG 4.44Å; I120-A128 HydrophobicContact CD1-CB 4.12Å; I120-A128 HydrophobicContact CG2-CB 4.06Å |
| 121 | T | 82.2 | Confident | 92.5 | Very high | 26 Ų | 26 | 31.7 Ų | 31.7 | 16% | 0.16 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.7 | 132.9 | 170.7 | -50.3 | 0 | 0 | 0 | 0 | 111.5 | N101 K123 Y124 F125 | N101-T121 PolarHBondContact O-OG1 3.23Å; T121-K123 VanDerWaalsContact C-N 3.32Å; T121-K123 PolarHBondContact O-N 2.84Å; T121-Y124 HydrophobicContact CG2-CD2 4.47Å; T121-Y124 PolarHBondContact O-N 3.26Å; T121-F125 PolarHBondContact O-N 3.38Å |
| 122 | E | 83.9 | Confident | 92.4 | Very high | 73 Ų | 73 | 31 Ų | 31 | 34% | 0.341 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -52.6 | -41.7 | -170.4 | 178.5 | -97 | 163.7 | 0 | 0 | 114.4 | T55 I120 Y124 F125 K228 | T55-E122 PolarHBondContact O-N 3.07Å; T55-E122 VanDerWaalsContact O-N 3.16Å; I120-E122 PolarHBondContact O-N 2.81Å; E122-Y124 PolarHBondContact O-N 2.57Å; E122-F125 VanDerWaalsContact O-CB 3.23Å; E122-F125 WeakPolarHBondContact O-CB 3.44Å; E122-F125 PolarHBondContact O-N 2.97Å; E122-K228 HydrophobicContact CG-CB 4.17Å |
| 123 | K | 84.9 | Confident | 92.3 | Very high | 155 Ų | 155 | 30.7 Ų | 30.7 | 67% | 0.674 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -51.7 | -34.5 | 175.8 | -178.3 | -177.4 | 173.8 | -166.4 | 0 | 113.8 | T121 | T121-K123 VanDerWaalsContact C-N 3.32Å; T121-K123 PolarHBondContact O-N 2.84Å |
| 124 | Y | 89.5 | Confident | 92.1 | Very high | 64 Ų | 64 | 33.7 Ų | 33.7 | 25% | 0.251 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -101.6 | -2.3 | -174.1 | -56.6 | -61.9 | 0 | 0 | 0 | 112.6 | Y97 N101 T121 E122 N126 E127 A128 | Y97-Y124 WeakPolarHBondContact CE1-O 3.29Å; Y97-Y124 WeakPolarHBondContact OH-CB 3.39Å; Y97-Y124 PolarHBondContact OH-O 3.36Å; N101-Y124 HydrophobicContact CB-CD2 3.51Å; N101-Y124 HydrophobicContact CB-CE2 4.06Å; N101-Y124 HydrophobicContact CB-CG 3.79Å; N101-Y124 WeakPolarHBondContact OD1-CD1 3.23Å; N101-Y124 VanDerWaalsContact OD1-CD2 3.3Å; N101-Y124 WeakPolarHBondContact OD1-CD2 3.09Å; N101-Y124 WeakPolarHBondContact OD1-CE1 3.28Å; N101-Y124 WeakPolarHBondContact OD1-CE2 3.37Å; T121-Y124 HydrophobicContact CG2-CD2 4.47Å; T121-Y124 PolarHBondContact O-N 3.26Å; E122-Y124 PolarHBondContact O-N 2.57Å; Y124-N126 PolarHBondContact O-N 3.43Å; Y124-E127 PolarHBondContact O-N 2.95Å; Y124-A128 PolarHBondContact O-N 3.24Å |
| 125 | F | 93.2 | Very high | 91.7 | Very high | 7 Ų | 7 | 34.3 Ų | 34.3 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | -171.7 | -178.9 | -116.3 | 0 | 0 | 0 | 113.4 | A59 F118 I120 T121 E122 E127 A128 L129 V225 | A59-F125 HydrophobicContact CB-CE2 4.31Å; A59-F125 HydrophobicContact CB-CZ 4.21Å; F118-F125 AromaticContact CE2-CD2 3.74Å; F118-F125 HydrophobicContact CE2-CD2 3.74Å; F118-F125 AromaticContact CE2-CE2 3.59Å; F118-F125 HydrophobicContact CE2-CE2 3.59Å; F118-F125 HydrophobicContact CZ-CD2 4.13Å; F118-F125 AromaticContact CZ-CE2 3.64Å; F118-F125 HydrophobicContact CZ-CE2 3.64Å; F118-F125 HydrophobicContact CZ-CZ 4.46Å; I120-F125 HydrophobicContact CG2-CB 4.12Å; I120-F125 HydrophobicContact CG2-CD2 3.71Å; I120-F125 HydrophobicContact CG2-CG 4.44Å; T121-F125 PolarHBondContact O-N 3.38Å; E122-F125 VanDerWaalsContact O-CB 3.23Å; E122-F125 WeakPolarHBondContact O-CB 3.44Å; E122-F125 PolarHBondContact O-N 2.97Å; F125-E127 VanDerWaalsContact C-N 3.33Å; F125-E127 PolarHBondContact O-N 3.14Å; F125-A128 PolarHBondContact O-N 2.9Å; F125-L129 HydrophobicContact CE1-CD2 4.06Å; F125-L129 HydrophobicContact CZ-CD1 4.29Å; F125-L129 HydrophobicContact CZ-CD2 4.25Å; F125-L129 VanDerWaalsContact O-CB 3.31Å; F125-L129 WeakPolarHBondContact O-CB 3.11Å; F125-L129 PolarHBondContact O-N 2.98Å; F125-V225 HydrophobicContact CE1-CG1 3.8Å; F125-V225 HydrophobicContact CZ-CG1 3.73Å |
| 126 | N | 93.9 | Very high | 91.4 | Very high | 73 Ų | 73 | 33.6 Ų | 33.6 | 39% | 0.39 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60.3 | -44.5 | -176.1 | -172.5 | 45.1 | 0 | 0 | 0 | 111.4 | Y124 L129 H130 I237 K241 | Y124-N126 PolarHBondContact O-N 3.43Å; N126-L129 PolarHBondContact O-N 3.01Å; N126-H130 PolarHBondContact O-N 3.36Å; N126-H130 VanDerWaalsContact O-N 3.07Å; N126-I237 VanDerWaalsContact OD1-CG2 3.31Å; N126-I237 WeakPolarHBondContact OD1-CG2 3.31Å; N126-K241 VanDerWaalsContact CG-NZ 3.3Å; N126-K241 PolarHBondContact O-NZ 2.81Å; N126-K241 PolarHBondContact OD1-NZ 2.98Å |
| 127 | E | 93.4 | Very high | 91 | Very high | 83 Ų | 83 | 35.5 Ų | 35.5 | 39% | 0.388 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -67.9 | -44.9 | 178.7 | -171.2 | 57.4 | -147.6 | 0 | 0 | 111.6 | Y97 Y124 F125 L129 H130 L131 | Y97-E127 HydrophobicContact CE1-CB 4.06Å; Y97-E127 HydrophobicContact CE1-CG 4.32Å; Y97-E127 HydrophobicContact CE2-CB 4.29Å; Y97-E127 HydrophobicContact CE2-CG 3.93Å; Y97-E127 VanDerWaalsContact OH-CB 3.32Å; Y97-E127 WeakPolarHBondContact OH-CB 3.28Å; Y124-E127 PolarHBondContact O-N 2.95Å; F125-E127 VanDerWaalsContact C-N 3.33Å; F125-E127 PolarHBondContact O-N 3.14Å; E127-L129 PolarHBondContact O-N 2.91Å; E127-H130 WeakPolarHBondContact O-CA 3.37Å; E127-H130 VanDerWaalsContact O-CB 3.31Å; E127-H130 WeakPolarHBondContact O-CB 3.47Å; E127-H130 PolarHBondContact O-N 3.09Å; E127-H130 IonicContact OE1-CD2 3.96Å; E127-L131 PolarHBondContact O-N 3.14Å |
| 128 | A | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56 | -40.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F94 Y97 L98 F118 I120 Y124 F125 H130 L131 F132 | F94-A128 HydrophobicContact CE2-CB 4.23Å; F94-A128 VanDerWaalsContact CE2-O 3.31Å; F94-A128 WeakPolarHBondContact CE2-O 3.3Å; Y97-A128 HydrophobicContact CD1-CB 4.12Å; Y97-A128 HydrophobicContact CE1-CB 3.99Å; L98-A128 HydrophobicContact CD2-CB 4.13Å; F118-A128 HydrophobicContact CD2-CB 4.27Å; F118-A128 HydrophobicContact CE2-CB 3.62Å; F118-A128 HydrophobicContact CZ-CB 4.13Å; I120-A128 HydrophobicContact CD1-CB 4.12Å; I120-A128 HydrophobicContact CG2-CB 4.06Å; Y124-A128 PolarHBondContact O-N 3.24Å; F125-A128 PolarHBondContact O-N 2.9Å; A128-H130 VanDerWaalsContact C-N 3.33Å; A128-H130 PolarHBondContact O-N 2.81Å; A128-L131 PolarHBondContact O-N 2.93Å; A128-F132 VanDerWaalsContact O-CB 3.28Å; A128-F132 WeakPolarHBondContact O-CB 3.36Å; A128-F132 PolarHBondContact O-N 3.29Å |
| 129 | L | 95.4 | Very high | 90 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.5 | -32.5 | 176.5 | -169.8 | 66.7 | 0 | 0 | 0 | 112.8 | A59 F118 F125 N126 E127 A133 V225 I237 I238 F242 | A59-L129 HydrophobicContact CB-CD1 3.79Å; F118-L129 HydrophobicContact CE1-CD1 4.14Å; F118-L129 HydrophobicContact CZ-CB 4.13Å; F118-L129 HydrophobicContact CZ-CD1 4.01Å; F125-L129 HydrophobicContact CE1-CD2 4.06Å; F125-L129 HydrophobicContact CZ-CD1 4.29Å; F125-L129 HydrophobicContact CZ-CD2 4.25Å; F125-L129 VanDerWaalsContact O-CB 3.31Å; F125-L129 WeakPolarHBondContact O-CB 3.11Å; F125-L129 PolarHBondContact O-N 2.98Å; N126-L129 PolarHBondContact O-N 3.01Å; E127-L129 PolarHBondContact O-N 2.91Å; L129-A133 PolarHBondContact O-N 3.45Å; L129-A133 VanDerWaalsContact O-N 3.15Å; L129-V225 HydrophobicContact CD1-CG2 4.45Å; L129-I237 HydrophobicContact CD2-CG2 3.98Å; L129-I238 HydrophobicContact CD2-CD1 3.69Å; L129-F242 HydrophobicContact CD1-CE2 3.88Å; L129-F242 HydrophobicContact CD1-CZ 3.76Å; L129-F242 HydrophobicContact CD2-CE2 4.41Å; L129-F242 HydrophobicContact CG-CE2 3.92Å; L129-F242 HydrophobicContact CG-CZ 4.23Å |
| 130 | H | 93.2 | Very high | 89.5 | Confident | 68 Ų | 68 | 42.1 Ų | 42.1 | 32% | 0.315 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.1 | -52.6 | 173 | -177.5 | 51.7 | 0 | 0 | 0 | 111 | N126 E127 A128 F132 A133 L134 K241 | N126-H130 PolarHBondContact O-N 3.36Å; N126-H130 VanDerWaalsContact O-N 3.07Å; E127-H130 WeakPolarHBondContact O-CA 3.37Å; E127-H130 VanDerWaalsContact O-CB 3.31Å; E127-H130 WeakPolarHBondContact O-CB 3.47Å; E127-H130 PolarHBondContact O-N 3.09Å; E127-H130 IonicContact OE1-CD2 3.96Å; A128-H130 VanDerWaalsContact C-N 3.33Å; A128-H130 PolarHBondContact O-N 2.81Å; H130-F132 VanDerWaalsContact C-N 3.28Å; H130-F132 PolarHBondContact O-N 3.38Å; H130-A133 PolarHBondContact O-N 3.49Å; H130-A133 VanDerWaalsContact O-N 3.13Å; H130-L134 PolarHBondContact O-N 3.44Å; H130-K241 HydrophobicContact CB-CD 4.11Å |
| 131 | L | 91.5 | Very high | 89.5 | Confident | 21 Ų | 21 | 42.4 Ų | 42.4 | 11% | 0.11 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.2 | -46.1 | 177.5 | -66.2 | 176.3 | 0 | 0 | 0 | 110.3 | F94 Y97 E127 A128 A133 L134 H135 | F94-L131 HydrophobicContact CB-CB 4.17Å; F94-L131 HydrophobicContact CB-CD1 4.49Å; F94-L131 HydrophobicContact CD2-CB 3.64Å; F94-L131 HydrophobicContact CD2-CD1 4.36Å; F94-L131 HydrophobicContact CG-CB 4.31Å; Y97-L131 HydrophobicContact CD1-CD1 4.35Å; Y97-L131 HydrophobicContact CG-CD1 4.09Å; E127-L131 PolarHBondContact O-N 3.14Å; A128-L131 PolarHBondContact O-N 2.93Å; L131-A133 PolarHBondContact O-N 3.09Å; L131-L134 HydrophobicContact CD2-CD1 4.43Å; L131-L134 WeakPolarHBondContact O-CB 3.4Å; L131-L134 PolarHBondContact O-N 3.26Å; L131-H135 PolarHBondContact O-CE1 3.44Å; L131-H135 PolarHBondContact O-ND1 3.49Å |
| 132 | F | 93.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56 | -45.4 | 176.5 | -173.9 | -111.5 | 0 | 0 | 0 | 112.8 | L61 F86 F94 F118 A128 H130 L134 H135 F136 F242 | L61-F132 HydrophobicContact CB-CE1 3.8Å; L61-F132 HydrophobicContact CB-CZ 3.95Å; F86-F132 HydrophobicContact CE1-CD2 4.03Å; F86-F132 HydrophobicContact CE1-CE2 4.32Å; F86-F132 AromaticContact CZ-CD2 3.87Å; F86-F132 HydrophobicContact CZ-CD2 3.87Å; F86-F132 AromaticContact CZ-CE2 3.78Å; F86-F132 HydrophobicContact CZ-CE2 3.78Å; F94-F132 HydrophobicContact CE1-CD2 4.29Å; F94-F132 HydrophobicContact CE2-CB 4.02Å; F94-F132 HydrophobicContact CZ-CB 4.17Å; F94-F132 AromaticContact CZ-CD2 3.9Å; F94-F132 HydrophobicContact CZ-CD2 3.9Å; F94-F132 HydrophobicContact CZ-CG 4.48Å; F118-F132 HydrophobicContact CD1-CB 4.19Å; F118-F132 HydrophobicContact CD1-CD1 4.27Å; F118-F132 AromaticContact CD1-CD2 3.8Å; F118-F132 HydrophobicContact CD1-CD2 3.8Å; F118-F132 HydrophobicContact CD1-CE2 4.18Å; F118-F132 AromaticContact CD1-CG 3.84Å; F118-F132 HydrophobicContact CD1-CG 3.84Å; F118-F132 HydrophobicContact CE1-CB 3.68Å; F118-F132 AromaticContact CE1-CD1 3.84Å; F118-F132 HydrophobicContact CE1-CD1 3.84Å; F118-F132 HydrophobicContact CE1-CD2 4.08Å; F118-F132 HydrophobicContact CE1-CE1 4.47Å; F118-F132 AromaticContact CE1-CG 3.61Å; F118-F132 HydrophobicContact CE1-CG 3.61Å; F118-F132 HydrophobicContact CZ-CB 4.48Å; A128-F132 VanDerWaalsContact O-CB 3.28Å; A128-F132 WeakPolarHBondContact O-CB 3.36Å; A128-F132 PolarHBondContact O-N 3.29Å; H130-F132 VanDerWaalsContact C-N 3.28Å; H130-F132 PolarHBondContact O-N 3.38Å; F132-L134 PolarHBondContact O-N 3.37Å; F132-H135 PolarHBondContact O-N 2.79Å; F132-F136 HydrophobicContact CD1-CE2 4.07Å; F132-F136 HydrophobicContact CD2-CE2 4.25Å; F132-F136 AromaticContact CE1-CE2 3.75Å; F132-F136 HydrophobicContact CE1-CE2 3.75Å; F132-F136 HydrophobicContact CE1-CZ 4.38Å; F132-F136 AromaticContact CE2-CE2 3.93Å; F132-F136 HydrophobicContact CE2-CE2 3.93Å; F132-F136 HydrophobicContact CE2-CZ 4.18Å; F132-F136 HydrophobicContact CG-CE2 4.32Å; F132-F136 AromaticContact CZ-CE2 3.67Å; F132-F136 HydrophobicContact CZ-CE2 3.67Å; F132-F136 AromaticContact CZ-CZ 3.92Å; F132-F136 HydrophobicContact CZ-CZ 3.92Å; F132-F136 VanDerWaalsContact O-CD2 3.28Å; F132-F136 WeakPolarHBondContact O-CD2 3.37Å; F132-F136 WeakPolarHBondContact O-CE2 3.28Å; F132-F242 HydrophobicContact CD1-CE1 4.38Å; F132-F242 HydrophobicContact CD1-CZ 4.23Å |
| 133 | A | 93.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.3 | -35 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L129 H130 L131 H135 F136 M137 K241 F242 | L129-A133 PolarHBondContact O-N 3.45Å; L129-A133 VanDerWaalsContact O-N 3.15Å; H130-A133 PolarHBondContact O-N 3.49Å; H130-A133 VanDerWaalsContact O-N 3.13Å; L131-A133 PolarHBondContact O-N 3.09Å; A133-H135 PolarHBondContact O-N 2.84Å; A133-F136 PolarHBondContact O-N 3.06Å; A133-F136 VanDerWaalsContact O-N 3.14Å; A133-M137 HydrophobicContact CB-CE 4.03Å; A133-M137 PolarHBondContact O-N 3.31Å; A133-K241 HydrophobicContact CB-CB 4.25Å; A133-F242 HydrophobicContact CB-CD1 4.25Å; A133-F242 HydrophobicContact CB-CD2 4.44Å; A133-F242 HydrophobicContact CB-CE1 3.92Å; A133-F242 HydrophobicContact CB-CE2 4.13Å; A133-F242 HydrophobicContact CB-CG 4.49Å; A133-F242 HydrophobicContact CB-CZ 3.86Å |
| 134 | L | 90.6 | Very high | 89.6 | Confident | 75 Ų | 75 | 44.9 Ų | 44.9 | 39% | 0.393 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.3 | -34.1 | -179.8 | -70.8 | 168.4 | 0 | 0 | 0 | 112.9 | H130 L131 F132 F136 M137 N138 | H130-L134 PolarHBondContact O-N 3.44Å; L131-L134 HydrophobicContact CD2-CD1 4.43Å; L131-L134 WeakPolarHBondContact O-CB 3.4Å; L131-L134 PolarHBondContact O-N 3.26Å; F132-L134 PolarHBondContact O-N 3.37Å; L134-F136 PolarHBondContact O-N 3.26Å; L134-M137 HydrophobicContact CD2-CE 3.93Å; L134-M137 HydrophobicContact CG-CE 4.38Å; L134-M137 PolarHBondContact O-N 3.32Å; L134-M137 VanDerWaalsContact O-N 3.15Å; L134-N138 PolarHBondContact O-N 2.89Å |
| 135 | H | 89.4 | Confident | 89.3 | Confident | 13 Ų | 13 | 42.2 Ų | 42.2 | 6% | 0.06 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.3 | -32.9 | 178.7 | -64.5 | 82.2 | 0 | 0 | 0 | 112.5 | L85 F86 M91 L131 F132 A133 P139 | L85-H135 WeakPolarHBondContact CD2-O 3.47Å; L85-H135 PolarHBondContact O-CD2 3.44Å; L85-H135 VanDerWaalsContact O-CD2 3.28Å; F86-H135 AromaticContact CD1-CD2 3.62Å; F86-H135 AromaticContact CD1-CG 3.94Å; F86-H135 AromaticContact CD1-NE2 3.85Å; F86-H135 HydrophobicContact CE1-CB 4.09Å; F86-H135 AromaticContact CE1-CD2 3.77Å; F86-H135 AromaticContact CE1-CG 3.58Å; F86-H135 AromaticContact CE1-ND1 3.76Å; F86-H135 HydrophobicContact CE2-CB 4.3Å; F86-H135 HydrophobicContact CZ-CB 3.89Å; F86-H135 AromaticContact CZ-CG 3.91Å; M91-H135 VanDerWaalsContact SD-CD2 3.52Å; M91-H135 PolarHBondContact SD-NE2 2.92Å; L131-H135 PolarHBondContact O-CE1 3.44Å; L131-H135 PolarHBondContact O-ND1 3.49Å; F132-H135 PolarHBondContact O-N 2.79Å; A133-H135 PolarHBondContact O-N 2.84Å; H135-P139 WeakPolarHBondContact O-CB 3.3Å; H135-P139 WeakPolarHBondContact O-CD 3.3Å |
| 136 | F | 92.4 | Very high | 89.1 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -87.2 | -21 | 178.8 | -57.3 | -77.5 | 0 | 0 | 0 | 112.9 | L61 F86 Y116 F132 A133 L134 M221 I245 | L61-F136 HydrophobicContact CB-CZ 4.41Å; L61-F136 HydrophobicContact CD1-CD2 4.01Å; L61-F136 HydrophobicContact CD1-CE2 4.02Å; L61-F136 HydrophobicContact CD1-CG 4.27Å; L61-F136 HydrophobicContact CD1-CZ 4.28Å; L61-F136 HydrophobicContact CD2-CD1 4.17Å; L61-F136 HydrophobicContact CD2-CE1 3.77Å; L61-F136 HydrophobicContact CD2-CZ 3.96Å; L61-F136 HydrophobicContact CG-CZ 4.46Å; F86-F136 HydrophobicContact CE2-CZ 4.27Å; F86-F136 HydrophobicContact CZ-CE2 4.32Å; F86-F136 HydrophobicContact CZ-CZ 4.18Å; Y116-F136 HydrophobicContact CD1-CZ 4.43Å; Y116-F136 AromaticContact CD2-CE1 3.64Å; Y116-F136 HydrophobicContact CD2-CE1 3.64Å; Y116-F136 AromaticContact CD2-CZ 3.68Å; Y116-F136 HydrophobicContact CD2-CZ 3.68Å; Y116-F136 AromaticContact CE2-CE1 3.79Å; Y116-F136 HydrophobicContact CE2-CE1 3.79Å; Y116-F136 HydrophobicContact CE2-CZ 4.27Å; Y116-F136 HydrophobicContact CG-CE1 4.15Å; Y116-F136 AromaticContact CG-CZ 3.78Å; Y116-F136 HydrophobicContact CG-CZ 3.78Å; F132-F136 HydrophobicContact CD1-CE2 4.07Å; F132-F136 HydrophobicContact CD2-CE2 4.25Å; F132-F136 AromaticContact CE1-CE2 3.75Å; F132-F136 HydrophobicContact CE1-CE2 3.75Å; F132-F136 HydrophobicContact CE1-CZ 4.38Å; F132-F136 AromaticContact CE2-CE2 3.93Å; F132-F136 HydrophobicContact CE2-CE2 3.93Å; F132-F136 HydrophobicContact CE2-CZ 4.18Å; F132-F136 HydrophobicContact CG-CE2 4.32Å; F132-F136 AromaticContact CZ-CE2 3.67Å; F132-F136 HydrophobicContact CZ-CE2 3.67Å; F132-F136 AromaticContact CZ-CZ 3.92Å; F132-F136 HydrophobicContact CZ-CZ 3.92Å; F132-F136 VanDerWaalsContact O-CD2 3.28Å; F132-F136 WeakPolarHBondContact O-CD2 3.37Å; F132-F136 WeakPolarHBondContact O-CE2 3.28Å; A133-F136 PolarHBondContact O-N 3.06Å; A133-F136 VanDerWaalsContact O-N 3.14Å; L134-F136 PolarHBondContact O-N 3.26Å; F136-M221 HydrophobicContact CD1-CE 4.36Å; F136-I245 HydrophobicContact CB-CD1 3.93Å; F136-I245 HydrophobicContact CB-CG1 4.24Å; F136-I245 HydrophobicContact CB-CG2 4.44Å |
| 137 | M | 89 | Confident | 88.8 | Confident | 39 Ų | 39 | 47 Ų | 47 | 19% | 0.192 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -83.5 | -48.5 | 179.4 | -71.8 | -172 | -81.1 | 0 | 0 | 112.5 | A133 L134 K241 N244 I245 | A133-M137 HydrophobicContact CB-CE 4.03Å; A133-M137 PolarHBondContact O-N 3.31Å; L134-M137 HydrophobicContact CD2-CE 3.93Å; L134-M137 HydrophobicContact CG-CE 4.38Å; L134-M137 PolarHBondContact O-N 3.32Å; L134-M137 VanDerWaalsContact O-N 3.15Å; M137-K241 WeakPolarHBondContact CE-O 3.37Å; M137-N244 HydrophobicContact SD-CB 3.68Å; M137-I245 HydrophobicContact CG-CB 4.41Å; M137-I245 HydrophobicContact CG-CG1 3.52Å; M137-I245 HydrophobicContact SD-CG1 4.47Å |
| 138 | N | 83.5 | Confident | 88.4 | Confident | 133 Ų | 133 | 49 Ų | 49 | 71% | 0.711 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -151.5 | 71.8 | -175.1 | -164.9 | 25.4 | 0 | 0 | 0 | 111.6 | L134 | L134-N138 PolarHBondContact O-N 2.89Š|
| 139 | P | 85.6 | Confident | 88.2 | Confident | 8 Ų | 8 | 49 Ų | 49 | 5% | 0.052 | 24% | 0.238 | C | C | . | . | trans | -68.4 | 143 | -179.6 | 28.6 | -31.9 | 0 | 0 | 0 | 111.2 | L85 H135 L141 W212 | L85-P139 HydrophobicContact CD2-CB 3.83Å; L85-P139 HydrophobicContact CD2-CG 4.01Å; H135-P139 WeakPolarHBondContact O-CB 3.3Å; H135-P139 WeakPolarHBondContact O-CD 3.3Å; P139-L141 VanDerWaalsContact C-N 3.32Å; P139-L141 HydrophobicContact CB-CD2 4.25Å; P139-L141 HydrophobicContact CB-CG 3.93Å; P139-L141 HydrophobicContact CG-CD1 3.96Å; P139-L141 HydrophobicContact CG-CD2 4.46Å; P139-L141 HydrophobicContact CG-CG 3.9Å; P139-L141 PolarHBondContact O-N 3.28Å; P139-W212 HydrophobicContact CG-CD2 3.99Å; P139-W212 VanDerWaalsContact CG-CE2 3.46Å; P139-W212 HydrophobicContact CG-CE3 4.47Å; P139-W212 HydrophobicContact CG-CH2 4.13Å; P139-W212 HydrophobicContact CG-CZ2 3.59Å | ||
| 140 | P | 80 | Confident | 88 | Confident | 42 Ų | 42 | 48.9 Ų | 48.9 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | trans | -67.2 | -31.9 | -176.4 | 24.7 | -33.2 | 0 | 0 | 0 | 113.1 | M91 K142 | M91-P140 HydrophobicContact CE-CG 3.65Å; P140-K142 VanDerWaalsContact C-N 3.26Å; P140-K142 HydrophobicContact CB-CG 4.36Å; P140-K142 PolarHBondContact O-N 3.47Å | ||
| 141 | L | 86.3 | Confident | 87.8 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | trans | 38.2 | 50.9 | 178.3 | -61 | 178.8 | 0 | 0 | 0 | 113.4 | L81 M84 P139 Y205 L208 W212 | L81-L141 HydrophobicContact CD1-CD2 3.98Å; M84-L141 HydrophobicContact CB-CD2 3.83Å; P139-L141 VanDerWaalsContact C-N 3.32Å; P139-L141 HydrophobicContact CB-CD2 4.25Å; P139-L141 HydrophobicContact CB-CG 3.93Å; P139-L141 HydrophobicContact CG-CD1 3.96Å; P139-L141 HydrophobicContact CG-CD2 4.46Å; P139-L141 HydrophobicContact CG-CG 3.9Å; P139-L141 PolarHBondContact O-N 3.28Å; L141-Y205 WeakPolarHBondContact O-CE2 3.46Å; L141-Y205 VanDerWaalsContact O-CZ 3.29Å; L141-Y205 PolarHBondContact O-OH 2.76Å; L141-L208 HydrophobicContact CD2-CD2 4.42Å; L141-W212 HydrophobicContact CD1-CB 4.35Å; L141-W212 HydrophobicContact CD1-CD2 4.06Å; L141-W212 HydrophobicContact CD1-CE3 3.95Å; L141-W212 HydrophobicContact CD1-CG 4.2Å | ||
| 142 | K | 85.9 | Confident | 87.5 | Confident | 90 Ų | 90 | 55.1 Ų | 55.1 | 39% | 0.391 | 27% | 0.265 | S | S | . | . | trans | -70.6 | 134.1 | -176.4 | -66.1 | -176.7 | -178.2 | -178.7 | 0 | 111.3 | M84 P140 D144 G145 M146 | M84-K142 WeakPolarHBondContact CE-O 3.4Å; P140-K142 VanDerWaalsContact C-N 3.26Å; P140-K142 HydrophobicContact CB-CG 4.36Å; P140-K142 PolarHBondContact O-N 3.47Å; K142-D144 VanDerWaalsContact C-N 3.25Å; K142-D144 PolarHBondContact O-N 3.41Å; K142-G145 WeakPolarHBondContact O-CA 3.36Å; K142-G145 PolarHBondContact O-N 3.1Å; K142-M146 PolarHBondContact O-N 3.4Å | ||
| 143 | I | 86.7 | Confident | 87.3 | Confident | 91 Ų | 91 | 55.1 Ų | 55.1 | 47% | 0.467 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.7 | -35.9 | -178.4 | -164.5 | 167.9 | 0 | 0 | 0 | 113.1 | G145 M146 Y205 | I143-G145 VanDerWaalsContact C-N 3.26Å; I143-G145 PolarHBondContact O-N 3.19Å; I143-M146 WeakPolarHBondContact O-CB 3.5Å; I143-M146 PolarHBondContact O-N 2.93Å; I143-M146 VanDerWaalsContact O-N 3.08Å; I143-Y205 HydrophobicContact CB-CD2 4.3Å; I143-Y205 HydrophobicContact CB-CE1 4.41Å; I143-Y205 HydrophobicContact CB-CE2 4.04Å; I143-Y205 HydrophobicContact CD1-CD1 4.2Å; I143-Y205 HydrophobicContact CD1-CG 4.26Å; I143-Y205 HydrophobicContact CG1-CD1 4.45Å; I143-Y205 HydrophobicContact CG1-CD2 4.16Å; I143-Y205 HydrophobicContact CG1-CE2 4.41Å; I143-Y205 HydrophobicContact CG1-CG 4.17Å |
| 144 | D | 82.1 | Confident | 87.2 | Confident | 126 Ų | 126 | 56.9 Ų | 56.9 | 67% | 0.674 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -66 | -30.4 | 177.5 | -60.6 | -29.8 | 0 | 0 | 0 | 112.5 | K142 M146 | K142-D144 VanDerWaalsContact C-N 3.25Å; K142-D144 PolarHBondContact O-N 3.41Å; D144-M146 VanDerWaalsContact C-N 3.3Å |
| 145 | G | 82.4 | Confident | 86.9 | Confident | 7 Ų | 7 | 58.7 Ų | 58.7 | 7% | 0.072 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.3 | -31.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M84 H87 K142 I143 R147 K148 S149 | M84-G145 VanDerWaalsContact SD-C 3.52Å; H87-G145 WeakPolarHBondContact CD2-CA 3.2Å; H87-G145 WeakPolarHBondContact NE2-CA 3.33Å; K142-G145 WeakPolarHBondContact O-CA 3.36Å; K142-G145 PolarHBondContact O-N 3.1Å; I143-G145 VanDerWaalsContact C-N 3.26Å; I143-G145 PolarHBondContact O-N 3.19Å; G145-R147 PolarHBondContact O-N 3.31Å; G145-K148 PolarHBondContact O-N 3.37Å; G145-S149 WeakPolarHBondContact O-CB 3.44Å; G145-S149 PolarHBondContact O-N 2.79Å; G145-S149 PolarHBondContact O-OG 3.11Å; G145-S149 VanDerWaalsContact O-OG 3.1Å |
| 146 | M | 89.5 | Confident | 86.7 | Confident | 22 Ų | 22 | 61.3 Ų | 61.3 | 11% | 0.108 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.6 | -46.7 | -177.7 | -167.9 | -176.3 | 72.6 | 0 | 0 | 112 | L80 M84 K142 I143 D144 K148 S149 I150 V204 Y205 | L80-M146 HydrophobicContact CD1-CG 4.39Å; L80-M146 HydrophobicContact CD2-CG 3.94Å; L80-M146 HydrophobicContact CD2-SD 4.4Å; M84-M146 HydrophobicContact CE-CB 4Å; M84-M146 WeakPolarHBondContact SD-CA 3.1Å; M84-M146 HydrophobicContact SD-CB 4.09Å; M84-M146 PolarHBondContact SD-N 3.48Å; M84-M146 VanDerWaalsContact SD-N 3.41Å; K142-M146 PolarHBondContact O-N 3.4Å; I143-M146 WeakPolarHBondContact O-CB 3.5Å; I143-M146 PolarHBondContact O-N 2.93Å; I143-M146 VanDerWaalsContact O-N 3.08Å; D144-M146 VanDerWaalsContact C-N 3.3Å; M146-K148 PolarHBondContact O-N 3.1Å; M146-S149 PolarHBondContact O-N 2.73Å; M146-I150 HydrophobicContact CG-CD1 4.01Å; M146-I150 VanDerWaalsContact O-CG1 3.28Å; M146-I150 WeakPolarHBondContact O-CG1 3.49Å; M146-I150 PolarHBondContact O-N 2.89Å; M146-V204 HydrophobicContact SD-CG1 4.45Å; M146-Y205 HydrophobicContact SD-CD2 3.93Å; M146-Y205 HydrophobicContact SD-CG 4.39Å |
| 147 | R | 87 | Confident | 86.6 | Confident | 158 Ų | 158 | 61.5 Ų | 61.5 | 60% | 0.596 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.1 | -43.7 | 179.9 | -73.4 | -174.6 | 170.7 | -176.8 | -3.9 | 112 | G145 I150 E151 | G145-R147 PolarHBondContact O-N 3.31Å; R147-I150 PolarHBondContact O-N 3.14Å; R147-E151 WeakPolarHBondContact O-CG 3.49Å; R147-E151 PolarHBondContact O-N 3.47Å |
| 148 | K | 85.7 | Confident | 86.5 | Confident | 125 Ų | 125 | 62 Ų | 62 | 54% | 0.543 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 177 | -67.5 | -179.5 | -178.3 | 175.2 | 0 | 112 | G145 M146 E151 K152 | G145-K148 PolarHBondContact O-N 3.37Å; M146-K148 PolarHBondContact O-N 3.1Å; K148-E151 PolarHBondContact O-N 3.37Å; K148-K152 WeakPolarHBondContact O-CG 3.25Å; K148-K152 PolarHBondContact O-N 3.06Å; K148-K152 VanDerWaalsContact O-N 3.09Å |
| 149 | S | 88.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 175.8 | -64.3 | 0 | 0 | 0 | 0 | 111.5 | H87 G145 M146 E151 K152 L153 | H87-S149 PolarHBondContact ND1-OG 3.35Å; G145-S149 WeakPolarHBondContact O-CB 3.44Å; G145-S149 PolarHBondContact O-N 2.79Å; G145-S149 PolarHBondContact O-OG 3.11Å; G145-S149 VanDerWaalsContact O-OG 3.1Å; M146-S149 PolarHBondContact O-N 2.73Å; S149-E151 VanDerWaalsContact C-N 3.34Å; S149-E151 PolarHBondContact O-N 2.89Å; S149-K152 WeakPolarHBondContact O-CB 3.02Å; S149-K152 PolarHBondContact O-N 3.19Å; S149-L153 WeakPolarHBondContact O-CG 3.36Å; S149-L153 PolarHBondContact O-N 3.02Å |
| 150 | I | 91.8 | Very high | 86.2 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 175.5 | -66.4 | 166.5 | 0 | 0 | 0 | 111.7 | L80 M146 R147 K152 L153 D154 K190 L193 I194 | L80-I150 HydrophobicContact CD1-CD1 4.5Å; L80-I150 HydrophobicContact CD1-CG1 3.68Å; L80-I150 HydrophobicContact CD2-CD1 4.04Å; L80-I150 HydrophobicContact CD2-CG1 3.99Å; L80-I150 HydrophobicContact CG-CG1 4.47Å; M146-I150 HydrophobicContact CG-CD1 4.01Å; M146-I150 VanDerWaalsContact O-CG1 3.28Å; M146-I150 WeakPolarHBondContact O-CG1 3.49Å; M146-I150 PolarHBondContact O-N 2.89Å; R147-I150 PolarHBondContact O-N 3.14Å; I150-K152 VanDerWaalsContact C-N 3.34Å; I150-K152 PolarHBondContact O-N 3.34Å; I150-L153 PolarHBondContact O-N 2.93Å; I150-D154 PolarHBondContact O-N 3.11Å; I150-K190 HydrophobicContact CG2-CB 4.39Å; I150-L193 HydrophobicContact CD1-CB 3.95Å; I150-L193 HydrophobicContact CG1-CB 4.19Å; I150-L193 HydrophobicContact CG1-CD1 4.26Å; I150-L193 HydrophobicContact CG2-CB 4.36Å; I150-I194 HydrophobicContact CB-CD1 4.18Å; I150-I194 HydrophobicContact CD1-CD1 3.92Å; I150-I194 HydrophobicContact CD1-CG1 3.73Å; I150-I194 HydrophobicContact CG2-CD1 3.71Å; I150-I194 HydrophobicContact CG2-CG1 4Å |
| 151 | E | 88.3 | Confident | 86.4 | Confident | 110 Ų | 110 | 60 Ų | 60 | 51% | 0.514 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 174.1 | -72.5 | 176.7 | 172.2 | 0 | 0 | 112.1 | R147 K148 S149 D154 M155 | R147-E151 WeakPolarHBondContact O-CG 3.49Å; R147-E151 PolarHBondContact O-N 3.47Å; K148-E151 PolarHBondContact O-N 3.37Å; S149-E151 VanDerWaalsContact C-N 3.34Å; S149-E151 PolarHBondContact O-N 2.89Å; E151-D154 PolarHBondContact O-N 3.47Å; E151-M155 WeakPolarHBondContact O-CG 3.45Å; E151-M155 PolarHBondContact O-N 3.06Å; E151-M155 VanDerWaalsContact O-N 3.08Å |
| 152 | K | 85.5 | Confident | 86.2 | Confident | 109 Ų | 109 | 62.3 Ų | 62.3 | 47% | 0.474 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 173.6 | -71.2 | 179.9 | 179.2 | -174 | 0 | 112 | K148 S149 I150 D154 M155 E156 | K148-K152 WeakPolarHBondContact O-CG 3.25Å; K148-K152 PolarHBondContact O-N 3.06Å; K148-K152 VanDerWaalsContact O-N 3.09Å; S149-K152 WeakPolarHBondContact O-CB 3.02Å; S149-K152 PolarHBondContact O-N 3.19Å; I150-K152 VanDerWaalsContact C-N 3.34Å; I150-K152 PolarHBondContact O-N 3.34Å; K152-D154 VanDerWaalsContact C-N 3.31Å; K152-D154 PolarHBondContact O-N 2.83Å; K152-M155 HydrophobicContact CG-CE 4.23Å; K152-M155 PolarHBondContact O-N 2.83Å; K152-E156 PolarHBondContact O-N 3.22Å |
| 153 | L | 89.2 | Confident | 85.9 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 175.9 | -73.5 | 178.8 | 0 | 0 | 0 | 112.1 | H79 L80 H83 S149 I150 E156 F157 L193 | H79-L153 WeakPolarHBondContact CE1-CD2 3.24Å; H79-L153 VanDerWaalsContact ND1-CD2 3.29Å; H79-L153 WeakPolarHBondContact ND1-CD2 3.22Å; L80-L153 HydrophobicContact CB-CD1 4Å; L80-L153 HydrophobicContact CD1-CD1 4.05Å; H83-L153 WeakPolarHBondContact NE2-CD2 3.26Å; S149-L153 WeakPolarHBondContact O-CG 3.36Å; S149-L153 PolarHBondContact O-N 3.02Å; I150-L153 PolarHBondContact O-N 2.93Å; L153-E156 PolarHBondContact O-N 3.33Å; L153-F157 WeakPolarHBondContact O-CB 3.1Å; L153-F157 PolarHBondContact O-N 2.56Å; L153-L193 HydrophobicContact CD1-CD1 4.01Å |
| 154 | D | 91.1 | Very high | 85.7 | Confident | 37 Ų | 37 | 61 Ų | 61 | 20% | 0.198 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.6 | -47.3 | 177 | -160.4 | 83 | 0 | 0 | 0 | 110.7 | I150 E151 K152 E156 F157 Q158 N189 K190 | I150-D154 PolarHBondContact O-N 3.11Å; E151-D154 PolarHBondContact O-N 3.47Å; K152-D154 VanDerWaalsContact C-N 3.31Å; K152-D154 PolarHBondContact O-N 2.83Å; D154-E156 PolarHBondContact O-N 3.38Å; D154-F157 PolarHBondContact O-N 2.83Å; D154-Q158 VanDerWaalsContact O-CG 3.27Å; D154-Q158 WeakPolarHBondContact O-CG 3.22Å; D154-Q158 PolarHBondContact O-N 3.33Å; D154-Q158 PolarHBondContact OD2-NE2 3.41Å; D154-Q158 VanDerWaalsContact OD2-NE2 3.14Å; D154-N189 WeakPolarHBondContact OD1-CB 3.35Å; D154-K190 HydrophobicContact CB-CB 4.22Å; D154-K190 WeakPolarHBondContact OD1-CB 3.02Å; D154-K190 PolarHBondContact OD1-N 2.88Å |
| 155 | M | 85 | Confident | 85.9 | Confident | 113 Ų | 113 | 60 Ų | 60 | 56% | 0.557 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -59.4 | -44 | 175.6 | -69.5 | -173.2 | -66.7 | 0 | 0 | 112.5 | E151 K152 F157 Q158 K159 | E151-M155 WeakPolarHBondContact O-CG 3.45Å; E151-M155 PolarHBondContact O-N 3.06Å; E151-M155 VanDerWaalsContact O-N 3.08Å; K152-M155 HydrophobicContact CG-CE 4.23Å; K152-M155 PolarHBondContact O-N 2.83Å; M155-F157 VanDerWaalsContact C-N 3.33Å; M155-F157 PolarHBondContact O-N 3.18Å; M155-Q158 PolarHBondContact O-N 2.89Å; M155-K159 PolarHBondContact O-N 2.9Å; M155-K159 VanDerWaalsContact O-N 3.11Å |
| 156 | E | 85.4 | Confident | 86.3 | Confident | 67 Ų | 67 | 60 Ų | 60 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 175.7 | -167.8 | -162.2 | 140.1 | 0 | 0 | 111.1 | H79 H83 K152 L153 D154 K159 V160 R187 | H79-E156 IonicContact CE1-OE1 2.73Å; H79-E156 IonicContact CE1-OE2 2.86Å; H79-E156 PolarHBondContact CE1-OE2 3.44Å; H79-E156 IonicContact NE2-OE2 2.98Å; H83-E156 IonicContact NE2-OE2 3.56Å; K152-E156 PolarHBondContact O-N 3.22Å; L153-E156 PolarHBondContact O-N 3.33Å; D154-E156 PolarHBondContact O-N 3.38Å; E156-K159 WeakPolarHBondContact O-CB 3.24Å; E156-K159 PolarHBondContact O-N 2.99Å; E156-V160 WeakPolarHBondContact O-CG2 3.38Å; E156-V160 PolarHBondContact O-N 2.84Å; E156-R187 IonicContact OE1-CZ 3.25Å; E156-R187 IonicContact OE1-NH1 3.02Å; E156-R187 PolarHBondContact OE1-NH1 2.97Å |
| 157 | F | 90.3 | Very high | 86.4 | Confident | 6 Ų | 6 | 60.6 Ų | 60.6 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 177 | 178.2 | -113.3 | 0 | 0 | 0 | 112.1 | L153 D154 M155 K159 V160 K161 F185 R187 N189 W498 Y499 | L153-F157 WeakPolarHBondContact O-CB 3.1Å; L153-F157 PolarHBondContact O-N 2.56Å; D154-F157 PolarHBondContact O-N 2.83Å; M155-F157 VanDerWaalsContact C-N 3.33Å; M155-F157 PolarHBondContact O-N 3.18Å; F157-K159 PolarHBondContact O-N 3.43Å; F157-V160 PolarHBondContact O-N 2.9Å; F157-K161 HydrophobicContact CE1-CB 4.39Å; F157-K161 HydrophobicContact CE1-CD 4.27Å; F157-K161 HydrophobicContact CE2-CB 4.05Å; F157-K161 HydrophobicContact CZ-CB 3.99Å; F157-K161 WeakPolarHBondContact O-CB 3.33Å; F157-K161 WeakPolarHBondContact O-CG 3.4Å; F157-K161 PolarHBondContact O-N 3.23Å; F157-F185 HydrophobicContact CD1-CZ 4.2Å; F157-F185 AromaticContact CD2-CE2 3.97Å; F157-F185 HydrophobicContact CD2-CE2 3.97Å; F157-F185 AromaticContact CD2-CZ 3.6Å; F157-F185 HydrophobicContact CD2-CZ 3.6Å; F157-F185 HydrophobicContact CE1-CZ 4.03Å; F157-F185 AromaticContact CE2-CE2 3.46Å; F157-F185 HydrophobicContact CE2-CE2 3.46Å; F157-F185 VanDerWaalsContact CE2-CE2 3.46Å; F157-F185 AromaticContact CE2-CZ 3.42Å; F157-F185 HydrophobicContact CE2-CZ 3.42Å; F157-F185 VanDerWaalsContact CE2-CZ 3.42Å; F157-F185 AromaticContact CG-CZ 3.98Å; F157-F185 HydrophobicContact CG-CZ 3.98Å; F157-F185 AromaticContact CZ-CE2 3.87Å; F157-F185 HydrophobicContact CZ-CE2 3.87Å; F157-F185 AromaticContact CZ-CZ 3.63Å; F157-F185 HydrophobicContact CZ-CZ 3.63Å; F157-R187 HydrophobicContact CD2-CB 4.27Å; F157-N189 HydrophobicContact CD1-CB 4Å; F157-N189 HydrophobicContact CG-CB 4.41Å; F157-W498 HydrophobicContact CZ-CB 4.22Å; F157-W498 VanDerWaalsContact CZ-O 3.3Å; F157-W498 WeakPolarHBondContact CZ-O 3.3Å; F157-Y499 HydrophobicContact CE2-CD1 4.18Å; F157-Y499 AromaticContact CE2-CE1 3.72Å; F157-Y499 HydrophobicContact CE2-CE1 3.72Å; F157-Y499 HydrophobicContact CE2-CE2 4.4Å; F157-Y499 AromaticContact CE2-CZ 3.85Å; F157-Y499 HydrophobicContact CZ-CE1 4.47Å |
| 158 | Q | 86.7 | Confident | 86.7 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 23% | 0.229 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.5 | -33.7 | 175.7 | -62.9 | -45.8 | -38.1 | 0 | 0 | 112 | D154 M155 K161 M832 | D154-Q158 VanDerWaalsContact O-CG 3.27Å; D154-Q158 WeakPolarHBondContact O-CG 3.22Å; D154-Q158 PolarHBondContact O-N 3.33Å; D154-Q158 PolarHBondContact OD2-NE2 3.41Å; D154-Q158 VanDerWaalsContact OD2-NE2 3.14Å; M155-Q158 PolarHBondContact O-N 2.89Å; Q158-K161 WeakPolarHBondContact O-CG 3.41Å; Q158-M832 HydrophobicContact CB-CE 3.35Å; Q158-M832 HydrophobicContact CG-CE 3.97Å |
| 159 | K | 79.4 | Confident | 87.1 | Confident | 75 Ų | 75 | 52.5 Ų | 52.5 | 33% | 0.326 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -72.6 | -47.9 | 174.4 | -178.3 | 170.6 | -173.8 | 170.5 | 0 | 111.9 | M155 E156 F157 T162 M832 | M155-K159 PolarHBondContact O-N 2.9Å; M155-K159 VanDerWaalsContact O-N 3.11Å; E156-K159 WeakPolarHBondContact O-CB 3.24Å; E156-K159 PolarHBondContact O-N 2.99Å; F157-K159 PolarHBondContact O-N 3.43Å; K159-T162 PolarHBondContact O-OG1 2.92Å; K159-M832 WeakPolarHBondContact CG-O 3.37Å |
| 160 | V | 82.5 | Confident | 87.4 | Confident | 10 Ų | 10 | 53 Ų | 53 | 6% | 0.061 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -73.2 | -33 | -174.9 | 174.8 | 0 | 0 | 0 | 0 | 112.8 | E156 F157 T162 R163 A166 | E156-V160 WeakPolarHBondContact O-CG2 3.38Å; E156-V160 PolarHBondContact O-N 2.84Å; F157-V160 PolarHBondContact O-N 2.9Å; V160-T162 PolarHBondContact O-N 2.97Å; V160-R163 WeakPolarHBondContact O-CB 3.16Å; V160-R163 PolarHBondContact O-N 3.01Å; V160-A166 HydrophobicContact CG1-CB 3.53Å |
| 161 | K | 85.6 | Confident | 87.6 | Confident | 56 Ų | 56 | 52.9 Ų | 52.9 | 24% | 0.243 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.6 | -177.2 | 74 | 177.1 | -169.2 | 174.8 | 0 | 113.7 | F157 Q158 K167 Y499 | F157-K161 HydrophobicContact CE1-CB 4.39Å; F157-K161 HydrophobicContact CE1-CD 4.27Å; F157-K161 HydrophobicContact CE2-CB 4.05Å; F157-K161 HydrophobicContact CZ-CB 3.99Å; F157-K161 WeakPolarHBondContact O-CB 3.33Å; F157-K161 WeakPolarHBondContact O-CG 3.4Å; F157-K161 PolarHBondContact O-N 3.23Å; Q158-K161 WeakPolarHBondContact O-CG 3.41Å; K161-K167 WeakPolarHBondContact O-CE 3.37Å; K161-K167 VanDerWaalsContact O-CG 3.32Å; K161-K167 WeakPolarHBondContact O-CG 3.41Å; K161-Y499 HydrophobicContact CB-CD1 4.04Å |
| 162 | T | 80.6 | Confident | 88 | Confident | 55 Ų | 55 | 48.1 Ų | 48.1 | 34% | 0.337 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -23.8 | 176.8 | 64.2 | 0 | 0 | 0 | 0 | 112.5 | K159 V160 K167 | K159-T162 PolarHBondContact O-OG1 2.92Å; V160-T162 PolarHBondContact O-N 2.97Å; T162-K167 WeakPolarHBondContact O-CE 3.27Å; T162-K167 PolarHBondContact O-NZ 3.1Å |
| 163 | R | 80.3 | Confident | 88.5 | Confident | 121 Ų | 121 | 43.9 Ų | 43.9 | 46% | 0.457 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -77.5 | 128.8 | -174.8 | -58 | -169.9 | 177.4 | 177.2 | -3.5 | 111.9 | V160 Y165 A166 K167 | V160-R163 WeakPolarHBondContact O-CB 3.16Å; V160-R163 PolarHBondContact O-N 3.01Å; R163-Y165 VanDerWaalsContact C-N 3.31Å; R163-Y165 HydrophobicContact CB-CD1 3.9Å; R163-Y165 HydrophobicContact CB-CE1 3.84Å; R163-Y165 VanDerWaalsContact CD-CE1 3.49Å; R163-Y165 HydrophobicContact CG-CE1 4.32Å; R163-Y165 PolarHBondContact O-N 3.01Å; R163-A166 HydrophobicContact CB-CB 4.38Å; R163-A166 WeakPolarHBondContact O-CB 3.42Å; R163-A166 PolarHBondContact O-N 3.22Å; R163-K167 PolarHBondContact O-N 3.38Å; R163-K167 VanDerWaalsContact O-N 3.12Å |
| 164 | D | 83.3 | Confident | 88.7 | Confident | 32 Ų | 32 | 45.1 Ų | 45.1 | 17% | 0.171 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.8 | -43 | -177.4 | -60.6 | -38.3 | 0 | 0 | 0 | 113.3 | A166 K167 L168 T276 R277 | D164-A166 PolarHBondContact O-N 2.59Å; D164-K167 PolarHBondContact O-N 3.05Å; D164-L168 WeakPolarHBondContact O-CB 3.04Å; D164-L168 PolarHBondContact O-N 2.89Å; D164-T276 PolarHBondContact OD1-N 2.83Å; D164-T276 PolarHBondContact OD1-OG1 2.8Å; D164-T276 PolarHBondContact OD2-OG1 3.4Å; D164-R277 WeakPolarHBondContact OD2-CD 3.25Å; D164-R277 WeakPolarHBondContact OD2-CG 3.26Å; D164-R277 IonicContact OD2-NE 2.73Å; D164-R277 PolarHBondContact OD2-NE 3.15Å |
| 165 | Y | 85.6 | Confident | 89 | Confident | 106 Ų | 106 | 44 Ų | 44 | 42% | 0.416 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.6 | -35.9 | -179.2 | 86.2 | -97.1 | 0 | 0 | 0 | 111.8 | R163 R169 | R163-Y165 VanDerWaalsContact C-N 3.31Å; R163-Y165 HydrophobicContact CB-CD1 3.9Å; R163-Y165 HydrophobicContact CB-CE1 3.84Å; R163-Y165 VanDerWaalsContact CD-CE1 3.49Å; R163-Y165 HydrophobicContact CG-CE1 4.32Å; R163-Y165 PolarHBondContact O-N 3.01Å; Y165-R169 WeakPolarHBondContact O-CB 3.22Å; Y165-R169 WeakPolarHBondContact O-CG 3.24Å; Y165-R169 PolarHBondContact O-N 2.83Å |
| 166 | A | 90.1 | Very high | 89.5 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -73.9 | -42.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V160 R163 D164 L168 R169 G170 Y499 | V160-A166 HydrophobicContact CG1-CB 3.53Å; R163-A166 HydrophobicContact CB-CB 4.38Å; R163-A166 WeakPolarHBondContact O-CB 3.42Å; R163-A166 PolarHBondContact O-N 3.22Å; D164-A166 PolarHBondContact O-N 2.59Å; A166-L168 VanDerWaalsContact C-N 3.34Å; A166-L168 PolarHBondContact O-N 3.33Å; A166-R169 PolarHBondContact O-N 2.83Å; A166-G170 PolarHBondContact O-N 3.09Å; A166-Y499 HydrophobicContact CB-CD1 4.39Å; A166-Y499 HydrophobicContact CB-CE1 3.86Å |
| 167 | K | 92.5 | Very high | 90 | Very high | 36 Ų | 36 | 37.8 Ų | 37.8 | 16% | 0.157 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.5 | -47.2 | 172.3 | -62.8 | 178.4 | 178.9 | 169.5 | 0 | 111.3 | K161 T162 R163 D164 G170 F171 Y499 L501 | K161-K167 WeakPolarHBondContact O-CE 3.37Å; K161-K167 VanDerWaalsContact O-CG 3.32Å; K161-K167 WeakPolarHBondContact O-CG 3.41Å; T162-K167 WeakPolarHBondContact O-CE 3.27Å; T162-K167 PolarHBondContact O-NZ 3.1Å; R163-K167 PolarHBondContact O-N 3.38Å; R163-K167 VanDerWaalsContact O-N 3.12Å; D164-K167 PolarHBondContact O-N 3.05Å; K167-G170 PolarHBondContact O-N 2.85Å; K167-F171 WeakPolarHBondContact O-CB 3.46Å; K167-F171 PolarHBondContact O-N 3.05Å; K167-Y499 HydrophobicContact CG-CD1 4.43Å; K167-L501 HydrophobicContact CB-CB 4.34Å; K167-L501 HydrophobicContact CB-CD1 4.05Å; K167-L501 HydrophobicContact CD-CD1 4.13Å |
| 168 | L | 93.3 | Very high | 90.2 | Very high | 23 Ų | 23 | 46 Ų | 46 | 12% | 0.12 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.2 | -45.9 | -179.2 | -178.4 | 65.4 | 0 | 0 | 0 | 112.1 | D164 A166 F171 I172 I480 | D164-L168 WeakPolarHBondContact O-CB 3.04Å; D164-L168 PolarHBondContact O-N 2.89Å; A166-L168 VanDerWaalsContact C-N 3.34Å; A166-L168 PolarHBondContact O-N 3.33Å; L168-F171 WeakPolarHBondContact O-CB 3.5Å; L168-F171 PolarHBondContact O-N 2.9Å; L168-I172 HydrophobicContact CD1-CD1 4.26Å; L168-I172 HydrophobicContact CD1-CG1 4.49Å; L168-I172 HydrophobicContact CG-CD1 4.05Å; L168-I172 WeakPolarHBondContact O-CG1 3.4Å; L168-I172 PolarHBondContact O-N 3.21Å; L168-I480 HydrophobicContact CD1-CD1 4.12Å; L168-I480 HydrophobicContact CD1-CG2 3.99Å |
| 169 | R | 94.2 | Very high | 90.4 | Very high | 90 Ų | 90 | 46.4 Ų | 46.4 | 34% | 0.34 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.7 | -41.2 | 176 | -73.3 | -171.3 | 172.3 | -163.4 | -8.5 | 112.1 | Y165 A166 F171 I172 S173 S336 F338 D339 | Y165-R169 WeakPolarHBondContact O-CB 3.22Å; Y165-R169 WeakPolarHBondContact O-CG 3.24Å; Y165-R169 PolarHBondContact O-N 2.83Å; A166-R169 PolarHBondContact O-N 2.83Å; R169-F171 VanDerWaalsContact C-N 3.31Å; R169-F171 PolarHBondContact O-N 2.72Å; R169-I172 PolarHBondContact O-N 2.9Å; R169-S173 VanDerWaalsContact O-CB 3.26Å; R169-S173 WeakPolarHBondContact O-CB 3.25Å; R169-S173 PolarHBondContact O-N 3.03Å; R169-S173 PolarHBondContact O-OG 2.89Å; R169-S336 PolarHBondContact NH1-OG 3.02Å; R169-S336 PolarHBondContact NH2-OG 3.4Å; R169-F338 HydrophobicContact CB-CD2 4.48Å; R169-F338 HydrophobicContact CB-CE1 4.21Å; R169-F338 HydrophobicContact CB-CE2 4.07Å; R169-F338 HydrophobicContact CB-CZ 3.92Å; R169-F338 HydrophobicContact CG-CD1 3.86Å; R169-F338 HydrophobicContact CG-CE1 3.61Å; R169-F338 HydrophobicContact CG-CE2 4.33Å; R169-F338 HydrophobicContact CG-CG 4.34Å; R169-F338 HydrophobicContact CG-CZ 3.86Å; R169-D339 IonicContact CZ-OD2 2.8Å; R169-D339 IonicContact NH2-OD1 3.85Å; R169-D339 IonicContact NH2-OD2 2.94Å; R169-D339 PolarHBondContact NH2-OD2 3.16Å |
| 170 | G | 94.5 | Very high | 91.2 | Very high | 9 Ų | 9 | 43 Ų | 43 | 9% | 0.093 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A166 K167 S173 S174 | A166-G170 PolarHBondContact O-N 3.09Å; K167-G170 PolarHBondContact O-N 2.85Å; G170-S173 WeakPolarHBondContact O-CB 3.43Å; G170-S173 PolarHBondContact O-N 3.34Å; G170-S174 PolarHBondContact O-N 3.28Å |
| 171 | F | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65 | -51.7 | 175.1 | 174.6 | -107.8 | 0 | 0 | 0 | 112.6 | K167 L168 R169 S173 S174 L175 Y271 V273 I480 L501 Y503 | K167-F171 WeakPolarHBondContact O-CB 3.46Å; K167-F171 PolarHBondContact O-N 3.05Å; L168-F171 WeakPolarHBondContact O-CB 3.5Å; L168-F171 PolarHBondContact O-N 2.9Å; R169-F171 VanDerWaalsContact C-N 3.31Å; R169-F171 PolarHBondContact O-N 2.72Å; F171-S173 VanDerWaalsContact C-N 3.26Å; F171-S173 PolarHBondContact O-N 3.49Å; F171-S174 WeakPolarHBondContact O-CA 3.3Å; F171-S174 WeakPolarHBondContact O-CB 3.36Å; F171-S174 PolarHBondContact O-N 3.45Å; F171-S174 PolarHBondContact O-OG 3.2Å; F171-L175 HydrophobicContact CE1-CD1 4Å; F171-L175 HydrophobicContact CE2-CD2 4.19Å; F171-L175 HydrophobicContact CZ-CD1 4.14Å; F171-L175 HydrophobicContact CZ-CD2 4.05Å; F171-L175 HydrophobicContact CZ-CG 4.36Å; F171-L175 PolarHBondContact O-N 3.31Å; F171-Y271 HydrophobicContact CE1-CD1 4.42Å; F171-Y271 HydrophobicContact CE1-CD2 4.27Å; F171-Y271 AromaticContact CE1-CG 3.99Å; F171-Y271 HydrophobicContact CE1-CG 3.99Å; F171-Y271 HydrophobicContact CE2-CD1 4.41Å; F171-Y271 AromaticContact CZ-CD1 3.55Å; F171-Y271 HydrophobicContact CZ-CD1 3.55Å; F171-Y271 HydrophobicContact CZ-CD2 4.08Å; F171-Y271 HydrophobicContact CZ-CE1 4Å; F171-Y271 AromaticContact CZ-CG 3.56Å; F171-Y271 HydrophobicContact CZ-CG 3.56Å; F171-V273 HydrophobicContact CD1-CG1 4.04Å; F171-V273 HydrophobicContact CE1-CG1 3.83Å; F171-V273 HydrophobicContact CZ-CG1 4.21Å; F171-I480 HydrophobicContact CD1-CD1 4.26Å; F171-I480 HydrophobicContact CE1-CD1 4.11Å; F171-I480 HydrophobicContact CE1-CG1 4.37Å; F171-L501 HydrophobicContact CB-CD2 3.49Å; F171-L501 VanDerWaalsContact CB-CD2 3.49Å; F171-L501 HydrophobicContact CD1-CD2 4.37Å; F171-L501 HydrophobicContact CD2-CD2 4.22Å; F171-L501 HydrophobicContact CG-CD2 3.77Å; F171-Y503 HydrophobicContact CD2-CD1 4.14Å; F171-Y503 HydrophobicContact CD2-CE1 4.32Å; F171-Y503 HydrophobicContact CD2-CG 4.42Å; F171-Y503 AromaticContact CE2-CD1 3.75Å; F171-Y503 HydrophobicContact CE2-CD1 3.75Å; F171-Y503 AromaticContact CE2-CD2 3.78Å; F171-Y503 HydrophobicContact CE2-CD2 3.78Å; F171-Y503 AromaticContact CE2-CE1 3.88Å; F171-Y503 HydrophobicContact CE2-CE1 3.88Å; F171-Y503 AromaticContact CE2-CE2 3.92Å; F171-Y503 HydrophobicContact CE2-CE2 3.92Å; F171-Y503 AromaticContact CE2-CG 3.69Å; F171-Y503 HydrophobicContact CE2-CG 3.69Å; F171-Y503 AromaticContact CE2-CZ 3.96Å; F171-Y503 HydrophobicContact CZ-CD2 4.11Å; F171-Y503 HydrophobicContact CZ-CE2 4.44Å; F171-Y503 HydrophobicContact CZ-CG 4.25Å |
| 172 | I | 96.1 | Very high | 92.4 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 5% | 0.046 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.3 | -43.3 | 176.9 | -67.5 | 166.6 | 0 | 0 | 0 | 110.4 | L168 R169 S174 L175 F262 F338 L346 I480 | L168-I172 HydrophobicContact CD1-CD1 4.26Å; L168-I172 HydrophobicContact CD1-CG1 4.49Å; L168-I172 HydrophobicContact CG-CD1 4.05Å; L168-I172 WeakPolarHBondContact O-CG1 3.4Å; L168-I172 PolarHBondContact O-N 3.21Å; R169-I172 PolarHBondContact O-N 2.9Å; I172-S174 VanDerWaalsContact C-N 3.25Å; I172-S174 PolarHBondContact O-N 3.48Å; I172-L175 WeakPolarHBondContact O-CB 3.45Å; I172-L175 PolarHBondContact O-N 3.28Å; I172-L175 VanDerWaalsContact O-N 3.08Å; I172-F262 HydrophobicContact CG2-CE1 4.32Å; I172-F338 HydrophobicContact CB-CZ 4.01Å; I172-F338 HydrophobicContact CD1-CZ 4.49Å; I172-F338 HydrophobicContact CG2-CZ 3.87Å; I172-L346 HydrophobicContact CG2-CD1 4.09Å; I172-I480 HydrophobicContact CD1-CD1 4.05Å; I172-I480 HydrophobicContact CG1-CD1 3.68Å |
| 173 | S | 95.7 | Very high | 93 | Very high | 21 Ų | 21 | 42.8 Ų | 42.8 | 15% | 0.147 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.9 | -39.1 | 174.3 | -63.1 | 0 | 0 | 0 | 0 | 112.6 | R169 G170 F171 L175 A176 Y182 F338 | R169-S173 VanDerWaalsContact O-CB 3.26Å; R169-S173 WeakPolarHBondContact O-CB 3.25Å; R169-S173 PolarHBondContact O-N 3.03Å; R169-S173 PolarHBondContact O-OG 2.89Å; G170-S173 WeakPolarHBondContact O-CB 3.43Å; G170-S173 PolarHBondContact O-N 3.34Å; F171-S173 VanDerWaalsContact C-N 3.26Å; F171-S173 PolarHBondContact O-N 3.49Å; S173-L175 PolarHBondContact O-N 3.49Å; S173-A176 WeakPolarHBondContact O-CB 3.36Å; S173-A176 PolarHBondContact O-N 2.99Å; S173-Y182 WeakPolarHBondContact CB-O 3.28Å; S173-F338 WeakPolarHBondContact OG-CE2 3.35Å |
| 174 | S | 95.2 | Very high | 93.8 | Very high | 28 Ų | 28 | 38.1 Ų | 38.1 | 20% | 0.196 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.2 | -22.3 | 179.4 | 83.2 | 0 | 0 | 0 | 0 | 113.9 | G170 F171 I172 A176 | G170-S174 PolarHBondContact O-N 3.28Å; F171-S174 WeakPolarHBondContact O-CA 3.3Å; F171-S174 WeakPolarHBondContact O-CB 3.36Å; F171-S174 PolarHBondContact O-N 3.45Å; F171-S174 PolarHBondContact O-OG 3.2Å; I172-S174 VanDerWaalsContact C-N 3.25Å; I172-S174 PolarHBondContact O-N 3.48Å; S174-A176 VanDerWaalsContact C-N 3.3Å |
| 175 | L | 96 | Very high | 94.4 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 6% | 0.063 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -11.2 | 177.3 | -56.2 | -178.8 | 0 | 0 | 0 | 113.1 | F171 I172 S173 F267 Y271 | F171-L175 HydrophobicContact CE1-CD1 4Å; F171-L175 HydrophobicContact CE2-CD2 4.19Å; F171-L175 HydrophobicContact CZ-CD1 4.14Å; F171-L175 HydrophobicContact CZ-CD2 4.05Å; F171-L175 HydrophobicContact CZ-CG 4.36Å; F171-L175 PolarHBondContact O-N 3.31Å; I172-L175 WeakPolarHBondContact O-CB 3.45Å; I172-L175 PolarHBondContact O-N 3.28Å; I172-L175 VanDerWaalsContact O-N 3.08Å; S173-L175 PolarHBondContact O-N 3.49Å; L175-F267 HydrophobicContact CB-CD2 4.03Å; L175-F267 HydrophobicContact CD1-CD2 4.17Å; L175-Y271 HydrophobicContact CD1-CD2 4.13Å; L175-Y271 HydrophobicContact CD1-CE2 3.68Å; L175-Y271 HydrophobicContact CD2-CE1 4.22Å; L175-Y271 HydrophobicContact CD2-CE2 4.03Å; L175-Y271 WeakPolarHBondContact CD2-OH 3.35Å |
| 176 | A | 96.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -65.3 | 151.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | S173 S174 R183 S261 F262 | S173-A176 WeakPolarHBondContact O-CB 3.36Å; S173-A176 PolarHBondContact O-N 2.99Å; S174-A176 VanDerWaalsContact C-N 3.3Å; A176-R183 HydrophobicContact CB-CB 4.4Å; A176-R183 WeakPolarHBondContact O-CD 3.37Å; A176-R183 PolarHBondContact O-NH1 3.46Å; A176-S261 CarbonylContact C-O 3.59Å; A176-S261 VanDerWaalsContact CA-O 3.24Å; A176-S261 WeakPolarHBondContact CA-O 3.23Å; A176-F262 HydrophobicContact CB-CD1 4.25Å; A176-F262 HydrophobicContact CB-CE1 3.79Å; A176-F262 HydrophobicContact CB-CZ 4.08Å |
| 177 | V | 96.3 | Very high | 94.9 | Very high | 49 Ų | 49 | 36 Ų | 36 | 30% | 0.297 | 19% | 0.187 | S | C | . | . | P | Polyproline II helix | trans | -57.2 | 147.3 | 176.9 | -61 | 0 | 0 | 0 | 0 | 111.3 | G179 S180 S261 | V177-G179 PolarHBondContact O-N 3.36Å; V177-S180 VanDerWaalsContact O-CB 3.27Å; V177-S180 WeakPolarHBondContact O-CB 3.38Å; V177-S180 PolarHBondContact O-N 2.6Å; V177-S180 VanDerWaalsContact O-N 3.07Å; V177-S261 PolarHBondContact N-O 2.92Å |
| 178 | K | 93.4 | Very high | 95 | Very high | 179 Ų | 179 | 34.2 Ų | 34.2 | 78% | 0.778 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 134.6 | 178 | -69.6 | -176.7 | -179 | 177.8 | 0 | 110.2 | S180 | K178-S180 VanDerWaalsContact C-N 3.31Š|
| 179 | G | 92.3 | Very high | 95 | Very high | 58 Ų | 58 | 33.6 Ų | 33.6 | 60% | 0.598 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85 | -6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V177 Y258 | V177-G179 PolarHBondContact O-N 3.36Å; G179-Y258 VanDerWaalsContact O-CE1 3.28Å; G179-Y258 WeakPolarHBondContact O-CE1 3.43Å |
| 180 | S | 95.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | trans | -67.6 | 139 | 169 | 174.1 | 0 | 0 | 0 | 0 | 111 | V177 K178 Y182 R183 S261 | V177-S180 VanDerWaalsContact O-CB 3.27Å; V177-S180 WeakPolarHBondContact O-CB 3.38Å; V177-S180 PolarHBondContact O-N 2.6Å; V177-S180 VanDerWaalsContact O-N 3.07Å; K178-S180 VanDerWaalsContact C-N 3.31Å; S180-Y182 PolarHBondContact O-N 2.85Å; S180-Y182 PolarHBondContact OG-N 3.19Å; S180-R183 WeakPolarHBondContact O-CB 3.29Å; S180-R183 PolarHBondContact O-N 2.88Å; S180-S261 WeakPolarHBondContact CB-OG 3.28Å; S180-S261 VanDerWaalsContact OG-CB 3.3Å; S180-S261 WeakPolarHBondContact OG-CB 3.32Å; S180-S261 PolarHBondContact OG-OG 2.99Å | ||
| 181 | P | 96.4 | Very high | 95.1 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 4% | 0.039 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -56.3 | -29.9 | 171 | -25.8 | 34.7 | 0 | 0 | 0 | 113.9 | F68 R183 L184 L255 Y258 I343 | F68-P181 HydrophobicContact CB-CB 3.69Å; F68-P181 HydrophobicContact CD1-CB 3.64Å; F68-P181 WeakPolarHBondContact CD1-O 3.3Å; F68-P181 HydrophobicContact CD2-CB 4.1Å; F68-P181 HydrophobicContact CE1-CB 4.26Å; F68-P181 WeakPolarHBondContact CE1-O 3.36Å; F68-P181 HydrophobicContact CG-CB 3.55Å; P181-R183 PolarHBondContact O-N 2.61Å; P181-R183 VanDerWaalsContact O-N 3.16Å; P181-L184 HydrophobicContact CB-CD1 4.48Å; P181-L184 WeakPolarHBondContact O-CB 3.27Å; P181-L184 WeakPolarHBondContact O-CG 3.49Å; P181-L184 PolarHBondContact O-N 2.87Å; P181-L184 VanDerWaalsContact O-N 3.09Å; P181-L255 HydrophobicContact CG-CD2 4.21Å; P181-Y258 VanDerWaalsContact CD-CG 3.4Å; P181-Y258 HydrophobicContact CG-CD1 4.42Å; P181-Y258 HydrophobicContact CG-CD2 3.58Å; P181-Y258 HydrophobicContact CG-CE1 4.47Å; P181-Y258 HydrophobicContact CG-CE2 3.66Å; P181-Y258 HydrophobicContact CG-CG 3.97Å; P181-I343 HydrophobicContact CB-CD1 4.06Å; P181-I343 HydrophobicContact CG-CD1 3.91Å |
| 182 | Y | 95.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -59 | -27.2 | 174.9 | -87.6 | -79.4 | 0 | 0 | 0 | 112.7 | F68 S173 S180 L184 F262 F338 S341 I343 C344 L346 | F68-Y182 HydrophobicContact CE1-CD1 4.29Å; F68-Y182 HydrophobicContact CE1-CG 4.34Å; F68-Y182 HydrophobicContact CE2-CD2 4.42Å; F68-Y182 HydrophobicContact CE2-CE1 4.5Å; F68-Y182 HydrophobicContact CE2-CE2 4.25Å; F68-Y182 AromaticContact CZ-CD1 3.68Å; F68-Y182 HydrophobicContact CZ-CD1 3.68Å; F68-Y182 AromaticContact CZ-CD2 4Å; F68-Y182 HydrophobicContact CZ-CD2 4Å; F68-Y182 AromaticContact CZ-CE1 3.76Å; F68-Y182 HydrophobicContact CZ-CE1 3.76Å; F68-Y182 HydrophobicContact CZ-CE2 4.09Å; F68-Y182 AromaticContact CZ-CG 3.81Å; F68-Y182 HydrophobicContact CZ-CG 3.81Å; F68-Y182 AromaticContact CZ-CZ 3.98Å; S173-Y182 WeakPolarHBondContact CB-O 3.28Å; S180-Y182 PolarHBondContact O-N 2.85Å; S180-Y182 PolarHBondContact OG-N 3.19Å; Y182-L184 VanDerWaalsContact C-N 3.29Å; Y182-L184 PolarHBondContact O-N 3.34Å; Y182-F262 HydrophobicContact CD1-CE2 4.13Å; Y182-F262 AromaticContact CD1-CZ 3.94Å; Y182-F262 HydrophobicContact CD1-CZ 3.94Å; Y182-F262 AromaticContact CD2-CE2 3.77Å; Y182-F262 HydrophobicContact CD2-CE2 3.77Å; Y182-F262 HydrophobicContact CD2-CZ 4.23Å; Y182-F262 HydrophobicContact CE1-CE2 4.28Å; Y182-F262 HydrophobicContact CE1-CZ 4.41Å; Y182-F262 AromaticContact CE2-CE2 3.91Å; Y182-F262 HydrophobicContact CE2-CE2 3.91Å; Y182-F262 AromaticContact CG-CE2 3.86Å; Y182-F262 HydrophobicContact CG-CE2 3.86Å; Y182-F262 AromaticContact CG-CZ 3.84Å; Y182-F262 HydrophobicContact CG-CZ 3.84Å; Y182-F338 HydrophobicContact CE1-CD2 4.38Å; Y182-F338 PolarHBondContact OH-O 3Å; Y182-S341 PolarHBondContact OH-OG 3.19Å; Y182-I343 HydrophobicContact CD2-CD1 4.16Å; Y182-I343 HydrophobicContact CD2-CG2 4.28Å; Y182-I343 HydrophobicContact CE2-CB 3.92Å; Y182-I343 HydrophobicContact CE2-CD1 4.16Å; Y182-I343 HydrophobicContact CE2-CG2 3.88Å; Y182-C344 VanDerWaalsContact CE2-SG 3.51Å; Y182-C344 PolarHBondContact OH-O 3.18Å; Y182-C344 PolarHBondContact OH-SG 3.47Å; Y182-L346 HydrophobicContact CE1-CD1 4.17Å |
| 183 | R | 95 | Very high | 95.2 | Very high | 108 Ų | 108 | 37.6 Ų | 37.6 | 41% | 0.408 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -81.6 | -8.3 | -178.4 | -155.6 | 172.3 | -177 | 146.5 | 1.9 | 113.2 | A176 S180 P181 | A176-R183 HydrophobicContact CB-CB 4.4Å; A176-R183 WeakPolarHBondContact O-CD 3.37Å; A176-R183 PolarHBondContact O-NH1 3.46Å; S180-R183 WeakPolarHBondContact O-CB 3.29Å; S180-R183 PolarHBondContact O-N 2.88Å; P181-R183 PolarHBondContact O-N 2.61Å; P181-R183 VanDerWaalsContact O-N 3.16Å |
| 184 | L | 95.8 | Very high | 95.1 | Very high | 23 Ų | 23 | 37.9 Ų | 37.9 | 12% | 0.12 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -70.4 | 140.4 | 178.2 | -63.1 | 172.1 | 0 | 0 | 0 | 110.7 | S67 D70 H72 Q75 P181 Y182 S186 | S67-L184 WeakPolarHBondContact O-CD1 3.3Å; D70-L184 HydrophobicContact CB-CD1 4.39Å; H72-L184 HydrophobicContact CB-CD2 4.47Å; Q75-L184 HydrophobicContact CG-CD2 4.06Å; P181-L184 HydrophobicContact CB-CD1 4.48Å; P181-L184 WeakPolarHBondContact O-CB 3.27Å; P181-L184 WeakPolarHBondContact O-CG 3.49Å; P181-L184 PolarHBondContact O-N 2.87Å; P181-L184 VanDerWaalsContact O-N 3.09Å; Y182-L184 VanDerWaalsContact C-N 3.29Å; Y182-L184 PolarHBondContact O-N 3.34Å; L184-S186 PolarHBondContact O-N 2.99Å |
| 185 | F | 95.6 | Very high | 95.1 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | trans | -77.2 | 87.9 | 172.8 | 178.5 | -131.3 | 0 | 0 | 0 | 110.9 | Q75 G76 F157 R187 G188 N189 W498 Y499 | Q75-F185 CarbonylContact C-O 3.58Å; Q75-F185 HydrophobicContact CB-CB 4.01Å; G76-F185 PolarHBondContact N-O 3.07Å; F157-F185 HydrophobicContact CD1-CZ 4.2Å; F157-F185 AromaticContact CD2-CE2 3.97Å; F157-F185 HydrophobicContact CD2-CE2 3.97Å; F157-F185 AromaticContact CD2-CZ 3.6Å; F157-F185 HydrophobicContact CD2-CZ 3.6Å; F157-F185 HydrophobicContact CE1-CZ 4.03Å; F157-F185 AromaticContact CE2-CE2 3.46Å; F157-F185 HydrophobicContact CE2-CE2 3.46Å; F157-F185 VanDerWaalsContact CE2-CE2 3.46Å; F157-F185 AromaticContact CE2-CZ 3.42Å; F157-F185 HydrophobicContact CE2-CZ 3.42Å; F157-F185 VanDerWaalsContact CE2-CZ 3.42Å; F157-F185 AromaticContact CG-CZ 3.98Å; F157-F185 HydrophobicContact CG-CZ 3.98Å; F157-F185 AromaticContact CZ-CE2 3.87Å; F157-F185 HydrophobicContact CZ-CE2 3.87Å; F157-F185 AromaticContact CZ-CZ 3.63Å; F157-F185 HydrophobicContact CZ-CZ 3.63Å; F185-R187 VanDerWaalsContact C-N 3.29Å; F185-R187 HydrophobicContact CE2-CB 3.87Å; F185-R187 HydrophobicContact CZ-CB 3.92Å; F185-R187 PolarHBondContact O-N 3.18Å; F185-G188 VanDerWaalsContact CE1-CA 3.47Å; F185-G188 PolarHBondContact O-N 3.05Å; F185-N189 HydrophobicContact CE1-CB 3.95Å; F185-N189 HydrophobicContact CZ-CB 4.41Å; F185-W498 HydrophobicContact CB-CD2 4.22Å; F185-W498 HydrophobicContact CB-CG 4.36Å; F185-W498 HydrophobicContact CB-CZ2 4.05Å; F185-W498 AromaticContact CD1-CD2 3.83Å; F185-W498 HydrophobicContact CD1-CD2 3.83Å; F185-W498 AromaticContact CD1-CE2 3.93Å; F185-W498 AromaticContact CD1-CE3 3.93Å; F185-W498 HydrophobicContact CD1-CE3 3.93Å; F185-W498 HydrophobicContact CD1-CG 4.38Å; F185-W498 HydrophobicContact CD1-CH2 4.19Å; F185-W498 HydrophobicContact CD1-CZ2 4.09Å; F185-W498 HydrophobicContact CD1-CZ3 4.12Å; F185-W498 HydrophobicContact CD2-CB 4.11Å; F185-W498 HydrophobicContact CD2-CD2 4.15Å; F185-W498 AromaticContact CD2-CG 3.83Å; F185-W498 HydrophobicContact CD2-CG 3.83Å; F185-W498 HydrophobicContact CE1-CD2 4.23Å; F185-W498 AromaticContact CE1-CE3 3.99Å; F185-W498 HydrophobicContact CE1-CE3 3.99Å; F185-W498 HydrophobicContact CE1-CZ3 4.3Å; F185-W498 HydrophobicContact CE2-CB 4.1Å; F185-W498 HydrophobicContact CE2-CG 4.24Å; F185-W498 AromaticContact CG-CD2 3.8Å; F185-W498 HydrophobicContact CG-CD2 3.8Å; F185-W498 AromaticContact CG-CE2 3.77Å; F185-W498 HydrophobicContact CG-CE3 4.36Å; F185-W498 AromaticContact CG-CG 3.93Å; F185-W498 HydrophobicContact CG-CG 3.93Å; F185-W498 HydrophobicContact CG-CZ2 4.28Å; F185-W498 AromaticContact CG-NE1 3.91Å; F185-W498 HydrophobicContact CZ-CE3 4.49Å; F185-Y499 HydrophobicContact CD2-CE2 4.5Å; F185-Y499 HydrophobicContact CE2-CE2 4.24Å | ||
| 186 | S | 93.7 | Very high | 95 | Very high | 37 Ų | 37 | 42.4 Ų | 42.4 | 26% | 0.259 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -30.6 | -171.1 | 55.2 | 0 | 0 | 0 | 0 | 115.6 | S67 L184 | S67-S186 VanDerWaalsContact CB-CB 3.47Å; S67-S186 WeakPolarHBondContact OG-CB 3.41Å; L184-S186 PolarHBondContact O-N 2.99Å |
| 187 | R | 92.9 | Very high | 95 | Very high | 54 Ų | 54 | 42.4 Ų | 42.4 | 20% | 0.204 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -33.9 | -177.7 | -75.4 | -167.2 | 165.4 | -86.2 | -5.3 | 113.6 | H79 E156 F157 F185 | H79-R187 PolarHBondContact ND1-O 3.16Å; E156-R187 IonicContact OE1-CZ 3.25Å; E156-R187 IonicContact OE1-NH1 3.02Å; E156-R187 PolarHBondContact OE1-NH1 2.97Å; F157-R187 HydrophobicContact CD2-CB 4.27Å; F185-R187 VanDerWaalsContact C-N 3.29Å; F185-R187 HydrophobicContact CE2-CB 3.87Å; F185-R187 HydrophobicContact CZ-CB 3.92Å; F185-R187 PolarHBondContact O-N 3.18Å |
| 188 | G | 94.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | 66.5 | 158.9 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q75 F185 S192 | Q75-G188 WeakPolarHBondContact O-CA 3.44Å; F185-G188 VanDerWaalsContact CE1-CA 3.47Å; F185-G188 PolarHBondContact O-N 3.05Å; G188-S192 WeakPolarHBondContact CA-OG 3.07Å | ||
| 189 | N | 94.8 | Very high | 95 | Very high | 9 Ų | 9 | 45.4 Ų | 45.4 | 5% | 0.048 | 23% | 0.229 | C | C | . | . | trans | -158.8 | -176.2 | 171.8 | 67.7 | 11.1 | 0 | 0 | 0 | 109.6 | D154 F157 F185 Q191 S192 L193 | D154-N189 WeakPolarHBondContact OD1-CB 3.35Å; F157-N189 HydrophobicContact CD1-CB 4Å; F157-N189 HydrophobicContact CG-CB 4.41Å; F185-N189 HydrophobicContact CE1-CB 3.95Å; F185-N189 HydrophobicContact CZ-CB 4.41Å; N189-Q191 PolarHBondContact O-N 3.24Å; N189-Q191 WeakPolarHBondContact OD1-CA 3.49Å; N189-Q191 WeakPolarHBondContact OD1-CB 3.1Å; N189-Q191 PolarHBondContact OD1-N 2.92Å; N189-S192 PolarHBondContact N-OG 3.12Å; N189-S192 PolarHBondContact O-N 3.36Å; N189-S192 PolarHBondContact O-OG 3.04Å; N189-S192 PolarHBondContact OD1-N 2.88Å; N189-L193 WeakPolarHBondContact O-CB 3.35Å; N189-L193 PolarHBondContact O-N 2.93Å; N189-L193 VanDerWaalsContact O-N 3.09Å | ||
| 190 | K | 95.1 | Very high | 95.2 | Very high | 100 Ų | 100 | 47.6 Ų | 47.6 | 44% | 0.435 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.9 | -34.7 | 177.7 | -174.7 | 170.5 | -177.9 | 172.1 | 0 | 112.5 | I150 D154 I194 T195 | I150-K190 HydrophobicContact CG2-CB 4.39Å; D154-K190 HydrophobicContact CB-CB 4.22Å; D154-K190 WeakPolarHBondContact OD1-CB 3.02Å; D154-K190 PolarHBondContact OD1-N 2.88Å; K190-I194 HydrophobicContact CG-CB 4.46Å; K190-I194 HydrophobicContact CG-CD1 4.33Å; K190-I194 WeakPolarHBondContact O-CA 3.49Å; K190-I194 WeakPolarHBondContact O-CB 3.5Å; K190-I194 PolarHBondContact O-N 2.6Å; K190-T195 PolarHBondContact O-N 3.32Å; K190-T195 VanDerWaalsContact O-N 3.09Å |
| 191 | Q | 95.4 | Very high | 95.2 | Very high | 88 Ų | 88 | 54.8 Ų | 54.8 | 41% | 0.411 | 27% | 0.265 | S | S | . | . | I | π-helix | trans | -69.1 | -45 | 179.2 | 179.2 | 169.8 | -17.6 | 0 | 0 | 112.4 | N189 T195 E196 W498 | N189-Q191 PolarHBondContact O-N 3.24Å; N189-Q191 WeakPolarHBondContact OD1-CA 3.49Å; N189-Q191 WeakPolarHBondContact OD1-CB 3.1Å; N189-Q191 PolarHBondContact OD1-N 2.92Å; Q191-T195 PolarHBondContact O-N 2.88Å; Q191-E196 HydrophobicContact CG-CG 3.95Å; Q191-E196 PolarHBondContact NE2-OE1 3.39Å; Q191-E196 VanDerWaalsContact NE2-OE1 3.13Å; Q191-E196 WeakPolarHBondContact O-CB 3.27Å; Q191-E196 PolarHBondContact O-N 3.08Å; Q191-W498 HydrophobicContact CB-CZ3 4.32Å; Q191-W498 HydrophobicContact CG-CZ3 4.23Å |
| 192 | S | 96.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.014 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -79.1 | -21.2 | -176.7 | 69.3 | 0 | 0 | 0 | 0 | 114.4 | Q75 G188 N189 P197 | Q75-S192 WeakPolarHBondContact O-CB 3.37Å; Q75-S192 PolarHBondContact O-OG 3.47Å; G188-S192 WeakPolarHBondContact CA-OG 3.07Å; N189-S192 PolarHBondContact N-OG 3.12Å; N189-S192 PolarHBondContact O-N 3.36Å; N189-S192 PolarHBondContact O-OG 3.04Å; N189-S192 PolarHBondContact OD1-N 2.88Å; S192-P197 WeakPolarHBondContact O-CD 3.35Å; S192-P197 VanDerWaalsContact O-CG 3.25Å; S192-P197 WeakPolarHBondContact O-CG 3.33Å |
| 193 | L | 96.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | I | π-helix | trans | -112.9 | -10.4 | -175.8 | -65.5 | 168.3 | 0 | 0 | 0 | 114.2 | A74 L80 I150 L153 N189 V204 | A74-L193 HydrophobicContact CB-CD2 4.27Å; L80-L193 HydrophobicContact CB-CD1 4.16Å; L80-L193 HydrophobicContact CD2-CD1 4.26Å; L80-L193 HydrophobicContact CD2-CD2 4.34Å; I150-L193 HydrophobicContact CD1-CB 3.95Å; I150-L193 HydrophobicContact CG1-CB 4.19Å; I150-L193 HydrophobicContact CG1-CD1 4.26Å; I150-L193 HydrophobicContact CG2-CB 4.36Å; L153-L193 HydrophobicContact CD1-CD1 4.01Å; N189-L193 WeakPolarHBondContact O-CB 3.35Å; N189-L193 PolarHBondContact O-N 2.93Å; N189-L193 VanDerWaalsContact O-N 3.09Å; L193-V204 HydrophobicContact CD2-CG1 4.31Å; L193-V204 WeakPolarHBondContact O-CG2 3.41Å |
| 194 | I | 94.6 | Very high | 95.2 | Very high | 28 Ų | 28 | 56.7 Ų | 56.7 | 14% | 0.144 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -129.6 | -65.4 | 175.4 | -59.1 | -179.3 | 0 | 0 | 0 | 110.2 | I150 K190 E196 P197 E198 | I150-I194 HydrophobicContact CB-CD1 4.18Å; I150-I194 HydrophobicContact CD1-CD1 3.92Å; I150-I194 HydrophobicContact CD1-CG1 3.73Å; I150-I194 HydrophobicContact CG2-CD1 3.71Å; I150-I194 HydrophobicContact CG2-CG1 4Å; K190-I194 HydrophobicContact CG-CB 4.46Å; K190-I194 HydrophobicContact CG-CD1 4.33Å; K190-I194 WeakPolarHBondContact O-CA 3.49Å; K190-I194 WeakPolarHBondContact O-CB 3.5Å; K190-I194 PolarHBondContact O-N 2.6Å; I194-E196 PolarHBondContact O-N 3.48Å; I194-P197 WeakPolarHBondContact O-CD 3.5Å; I194-E198 VanDerWaalsContact CG2-CD 3.49Å; I194-E198 HydrophobicContact CG2-CG 4.23Å; I194-E198 WeakPolarHBondContact CG2-OE2 3.46Å; I194-E198 VanDerWaalsContact O-CB 3.27Å; I194-E198 WeakPolarHBondContact O-CB 3.41Å; I194-E198 VanDerWaalsContact O-CG 3.3Å; I194-E198 WeakPolarHBondContact O-CG 3.48Å; I194-E198 PolarHBondContact O-N 3.38Å |
| 195 | T | 94.4 | Very high | 95.2 | Very high | 79 Ų | 79 | 57.4 Ų | 57.4 | 49% | 0.485 | 28% | 0.284 | S | S | . | . | I | π-helix | trans | -63.1 | -49.3 | -167.4 | -48.4 | 0 | 0 | 0 | 0 | 113.7 | K190 Q191 K199 | K190-T195 PolarHBondContact O-N 3.32Å; K190-T195 VanDerWaalsContact O-N 3.09Å; Q191-T195 PolarHBondContact O-N 2.88Å; T195-K199 WeakPolarHBondContact O-CB 3.46Å; T195-K199 PolarHBondContact O-N 2.68Å |
| 196 | E | 94.7 | Very high | 95.2 | Very high | 55 Ų | 55 | 58.4 Ų | 58.4 | 26% | 0.257 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70.2 | -44.1 | 178.3 | -70 | -178.7 | 172.3 | 0 | 0 | 112 | Q191 I194 N200 K497 | Q191-E196 HydrophobicContact CG-CG 3.95Å; Q191-E196 PolarHBondContact NE2-OE1 3.39Å; Q191-E196 VanDerWaalsContact NE2-OE1 3.13Å; Q191-E196 WeakPolarHBondContact O-CB 3.27Å; Q191-E196 PolarHBondContact O-N 3.08Å; I194-E196 PolarHBondContact O-N 3.48Å; E196-N200 PolarHBondContact O-N 3.43Å; E196-N200 PolarHBondContact O-ND2 3.39Å; E196-N200 VanDerWaalsContact O-ND2 3.09Å; E196-K497 IonicContact OE1-NZ 2.68Å; E196-K497 PolarHBondContact OE1-NZ 3.36Å; E196-K497 IonicContact OE2-NZ 3.74Å |
| 197 | P | 96 | Very high | 95.3 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 173.6 | -29 | 36.6 | 0 | 0 | 0 | 115 | S192 I194 K199 N200 N201 I202 V204 | S192-P197 WeakPolarHBondContact O-CD 3.35Å; S192-P197 VanDerWaalsContact O-CG 3.25Å; S192-P197 WeakPolarHBondContact O-CG 3.33Å; I194-P197 WeakPolarHBondContact O-CD 3.5Å; P197-K199 VanDerWaalsContact C-N 3.33Å; P197-K199 PolarHBondContact O-N 3.32Å; P197-N200 CarbonylContact O-C 3.59Å; P197-N200 PolarHBondContact O-N 3.32Å; P197-N201 PolarHBondContact O-N 2.84Å; P197-I202 HydrophobicContact CB-CB 3.99Å; P197-I202 HydrophobicContact CB-CG2 4.48Å; P197-I202 PolarHBondContact O-N 3.36Å; P197-V204 HydrophobicContact CB-CG2 3.36Å; P197-V204 HydrophobicContact CG-CG2 3.63Å |
| 198 | E | 94.7 | Very high | 95.4 | Very high | 114 Ų | 114 | 56.3 Ų | 56.3 | 53% | 0.533 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | -179.8 | -75.7 | -178.4 | 164.4 | 0 | 0 | 111.2 | I194 N200 N201 | I194-E198 VanDerWaalsContact CG2-CD 3.49Å; I194-E198 HydrophobicContact CG2-CG 4.23Å; I194-E198 WeakPolarHBondContact CG2-OE2 3.46Å; I194-E198 VanDerWaalsContact O-CB 3.27Å; I194-E198 WeakPolarHBondContact O-CB 3.41Å; I194-E198 VanDerWaalsContact O-CG 3.3Å; I194-E198 WeakPolarHBondContact O-CG 3.48Å; I194-E198 PolarHBondContact O-N 3.38Å; E198-N200 PolarHBondContact O-N 3.36Å; E198-N201 PolarHBondContact O-N 2.66Å; E198-N201 VanDerWaalsContact O-N 3.11Å |
| 199 | K | 95.4 | Very high | 95.4 | Very high | 177 Ų | 177 | 60.7 Ų | 60.7 | 77% | 0.77 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -58.1 | -31.1 | 175.4 | -176.9 | 177.9 | 177 | -178.1 | 0 | 112.7 | T195 P197 | T195-K199 WeakPolarHBondContact O-CB 3.46Å; T195-K199 PolarHBondContact O-N 2.68Å; P197-K199 VanDerWaalsContact C-N 3.33Å; P197-K199 PolarHBondContact O-N 3.32Å |
| 200 | N | 95.4 | Very high | 95.4 | Very high | 104 Ų | 104 | 66.6 Ų | 66.6 | 56% | 0.556 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | 10.7 | -178.4 | -64.3 | -37.2 | 0 | 0 | 0 | 113.2 | E196 P197 E198 I202 | E196-N200 PolarHBondContact O-N 3.43Å; E196-N200 PolarHBondContact O-ND2 3.39Å; E196-N200 VanDerWaalsContact O-ND2 3.09Å; P197-N200 CarbonylContact O-C 3.59Å; P197-N200 PolarHBondContact O-N 3.32Å; E198-N200 PolarHBondContact O-N 3.36Å; N200-I202 HydrophobicContact CB-CD1 3.7Å; N200-I202 HydrophobicContact CB-CG1 3.78Å; N200-I202 WeakPolarHBondContact O-CG1 3.39Å; N200-I202 PolarHBondContact O-N 3.41Å |
| 201 | N | 95.7 | Very high | 95.4 | Very high | 156 Ų | 156 | 62.4 Ų | 62.4 | 83% | 0.834 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 42.9 | -176.8 | -60.7 | -57 | 0 | 0 | 0 | 114.2 | P197 E198 | P197-N201 PolarHBondContact O-N 2.84Å; E198-N201 PolarHBondContact O-N 2.66Å; E198-N201 VanDerWaalsContact O-N 3.11Å |
| 202 | I | 96.1 | Very high | 95.3 | Very high | 42 Ų | 42 | 60 Ų | 60 | 22% | 0.215 | 30% | 0.299 | C | S | . | . | trans | -100.2 | 123 | -176.7 | -53.9 | -175.7 | 0 | 0 | 0 | 110.1 | E73 P197 N200 V204 L207 | E73-I202 HydrophobicContact CB-CD1 3.53Å; E73-I202 HydrophobicContact CB-CG2 4.14Å; E73-I202 HydrophobicContact CG-CD1 3.66Å; P197-I202 HydrophobicContact CB-CB 3.99Å; P197-I202 HydrophobicContact CB-CG2 4.48Å; P197-I202 PolarHBondContact O-N 3.36Å; N200-I202 HydrophobicContact CB-CD1 3.7Å; N200-I202 HydrophobicContact CB-CG1 3.78Å; N200-I202 WeakPolarHBondContact O-CG1 3.39Å; N200-I202 PolarHBondContact O-N 3.41Å; I202-V204 PolarHBondContact O-N 2.87Å; I202-V204 VanDerWaalsContact O-N 3.14Å; I202-L207 HydrophobicContact CG2-CD1 3.65Å | ||
| 203 | D | 95.6 | Very high | 95.1 | Very high | 105 Ų | 105 | 63.5 Ų | 63.5 | 56% | 0.561 | 32% | 0.321 | S | S | * | . | trans | -80.5 | 89.8 | 175.6 | 177.9 | 15.3 | 0 | 0 | 0 | 111.3 | Y205 G206 L207 | D203-Y205 VanDerWaalsContact C-N 3.26Å; D203-Y205 PolarHBondContact O-N 3.28Å; D203-Y205 PolarHBondContact OD1-N 3.39Å; D203-Y205 VanDerWaalsContact OD1-N 3.12Å; D203-G206 VanDerWaalsContact CG-N 3.27Å; D203-G206 PolarHBondContact O-N 3.3Å; D203-G206 PolarHBondContact OD1-N 3.43Å; D203-G206 WeakPolarHBondContact OD2-CA 3.39Å; D203-G206 PolarHBondContact OD2-N 3Å; D203-L207 WeakPolarHBondContact O-CG 3.47Å; D203-L207 PolarHBondContact O-N 3.31Å | ||
| 204 | V | 95.9 | Very high | 94.9 | Very high | 9 Ų | 9 | 65 Ų | 65 | 6% | 0.055 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62 | -33.3 | 177.9 | 179.7 | 0 | 0 | 0 | 0 | 112 | A74 L77 L80 M146 L193 P197 I202 L207 L208 | A74-V204 HydrophobicContact CB-CG1 4.4Å; A74-V204 HydrophobicContact CB-CG2 4.34Å; L77-V204 HydrophobicContact CD1-CG1 3.96Å; L80-V204 HydrophobicContact CD2-CG1 4.31Å; M146-V204 HydrophobicContact SD-CG1 4.45Å; L193-V204 HydrophobicContact CD2-CG1 4.31Å; L193-V204 WeakPolarHBondContact O-CG2 3.41Å; P197-V204 HydrophobicContact CB-CG2 3.36Å; P197-V204 HydrophobicContact CG-CG2 3.63Å; I202-V204 PolarHBondContact O-N 2.87Å; I202-V204 VanDerWaalsContact O-N 3.14Å; V204-L207 PolarHBondContact O-N 2.75Å; V204-L208 WeakPolarHBondContact O-CB 3.43Å; V204-L208 PolarHBondContact O-N 3.22Å |
| 205 | Y | 94.9 | Very high | 94.9 | Very high | 38 Ų | 38 | 64.3 Ų | 64.3 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.7 | -42.2 | 179.8 | -178.7 | -109.9 | 0 | 0 | 0 | 111.7 | L141 I143 M146 D203 L207 L208 K209 | L141-Y205 WeakPolarHBondContact O-CE2 3.46Å; L141-Y205 VanDerWaalsContact O-CZ 3.29Å; L141-Y205 PolarHBondContact O-OH 2.76Å; I143-Y205 HydrophobicContact CB-CD2 4.3Å; I143-Y205 HydrophobicContact CB-CE1 4.41Å; I143-Y205 HydrophobicContact CB-CE2 4.04Å; I143-Y205 HydrophobicContact CD1-CD1 4.2Å; I143-Y205 HydrophobicContact CD1-CG 4.26Å; I143-Y205 HydrophobicContact CG1-CD1 4.45Å; I143-Y205 HydrophobicContact CG1-CD2 4.16Å; I143-Y205 HydrophobicContact CG1-CE2 4.41Å; I143-Y205 HydrophobicContact CG1-CG 4.17Å; M146-Y205 HydrophobicContact SD-CD2 3.93Å; M146-Y205 HydrophobicContact SD-CG 4.39Å; D203-Y205 VanDerWaalsContact C-N 3.26Å; D203-Y205 PolarHBondContact O-N 3.28Å; D203-Y205 PolarHBondContact OD1-N 3.39Å; D203-Y205 VanDerWaalsContact OD1-N 3.12Å; Y205-L207 VanDerWaalsContact C-N 3.33Å; Y205-L208 WeakPolarHBondContact O-CB 3.25Å; Y205-L208 PolarHBondContact O-N 3.31Å; Y205-K209 HydrophobicContact CE1-CD 3.98Å; Y205-K209 VanDerWaalsContact CE1-CE 3.47Å; Y205-K209 PolarHBondContact O-N 3.27Å; Y205-K209 WeakPolarHBondContact OH-CE 3.47Å; Y205-K209 PolarHBondContact OH-NZ 3.12Å |
| 206 | G | 95.7 | Very high | 94.9 | Very high | 27 Ų | 27 | 61 Ų | 61 | 28% | 0.278 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.6 | -42.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D203 K209 K210 | D203-G206 VanDerWaalsContact CG-N 3.27Å; D203-G206 PolarHBondContact O-N 3.3Å; D203-G206 PolarHBondContact OD1-N 3.43Å; D203-G206 WeakPolarHBondContact OD2-CA 3.39Å; D203-G206 PolarHBondContact OD2-N 3Å; G206-K209 PolarHBondContact O-N 2.85Å; G206-K210 WeakPolarHBondContact O-CB 3.28Å; G206-K210 PolarHBondContact O-N 3.09Å |
| 207 | L | 96.4 | Very high | 95 | Very high | 46 Ų | 46 | 58.3 Ų | 58.3 | 24% | 0.241 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.6 | -44 | 173.9 | -70.5 | 175.7 | 0 | 0 | 0 | 112 | P71 A74 L77 I202 D203 V204 Y205 K210 H211 | P71-L207 HydrophobicContact CG-CD1 4.14Å; A74-L207 HydrophobicContact CB-CD1 4.04Å; L77-L207 HydrophobicContact CD2-CB 3.95Å; I202-L207 HydrophobicContact CG2-CD1 3.65Å; D203-L207 WeakPolarHBondContact O-CG 3.47Å; D203-L207 PolarHBondContact O-N 3.31Å; V204-L207 PolarHBondContact O-N 2.75Å; Y205-L207 VanDerWaalsContact C-N 3.33Å; L207-K210 PolarHBondContact O-N 3.5Å; L207-H211 WeakPolarHBondContact O-CB 3.3Å; L207-H211 PolarHBondContact O-N 3.43Å |
| 208 | L | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.3 | -49.9 | 177.5 | -170.6 | 86.9 | 0 | 0 | 0 | 111.4 | L77 L80 L81 M84 L141 V204 Y205 K210 H211 W212 | L77-L208 HydrophobicContact CD1-CB 4Å; L77-L208 HydrophobicContact CD1-CD1 3.73Å; L77-L208 HydrophobicContact CG-CD1 4.21Å; L80-L208 HydrophobicContact CB-CD1 4.25Å; L80-L208 HydrophobicContact CD2-CD1 4.07Å; L80-L208 HydrophobicContact CG-CD1 3.9Å; L81-L208 HydrophobicContact CB-CD1 3.79Å; L81-L208 HydrophobicContact CD1-CD1 4.35Å; L81-L208 HydrophobicContact CD1-CG 4.29Å; M84-L208 HydrophobicContact CB-CD2 4.24Å; M84-L208 HydrophobicContact CE-CD2 4.19Å; M84-L208 HydrophobicContact CG-CD2 4.08Å; L141-L208 HydrophobicContact CD2-CD2 4.42Å; V204-L208 WeakPolarHBondContact O-CB 3.43Å; V204-L208 PolarHBondContact O-N 3.22Å; Y205-L208 WeakPolarHBondContact O-CB 3.25Å; Y205-L208 PolarHBondContact O-N 3.31Å; L208-K210 PolarHBondContact O-N 3.21Å; L208-H211 PolarHBondContact O-N 3.02Å; L208-W212 PolarHBondContact O-N 3.39Å |
| 209 | K | 94 | Very high | 95 | Very high | 92 Ų | 92 | 55.7 Ų | 55.7 | 40% | 0.4 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 177.8 | -80.7 | -172.3 | 170.7 | 172.4 | 0 | 112.2 | Y205 G206 H211 W212 T213 | Y205-K209 HydrophobicContact CE1-CD 3.98Å; Y205-K209 VanDerWaalsContact CE1-CE 3.47Å; Y205-K209 PolarHBondContact O-N 3.27Å; Y205-K209 WeakPolarHBondContact OH-CE 3.47Å; Y205-K209 PolarHBondContact OH-NZ 3.12Å; G206-K209 PolarHBondContact O-N 2.85Å; K209-H211 VanDerWaalsContact C-N 3.34Å; K209-W212 PolarHBondContact O-N 3.42Å; K209-T213 WeakPolarHBondContact O-CB 3.31Å; K209-T213 WeakPolarHBondContact O-CG2 3.29Å; K209-T213 PolarHBondContact O-N 3.12Å; K209-T213 PolarHBondContact O-OG1 3.34Å |
| 210 | K | 94.5 | Very high | 95 | Very high | 134 Ų | 134 | 48.5 Ų | 48.5 | 58% | 0.583 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -61.3 | -47 | 175.8 | -175 | 178.7 | 178.8 | -177.8 | 0 | 110.2 | G206 L207 L208 W212 T213 T214 | G206-K210 WeakPolarHBondContact O-CB 3.28Å; G206-K210 PolarHBondContact O-N 3.09Å; L207-K210 PolarHBondContact O-N 3.5Å; L208-K210 PolarHBondContact O-N 3.21Å; K210-W212 PolarHBondContact O-N 3.36Å; K210-T213 WeakPolarHBondContact CA-OG1 3.34Å; K210-T213 PolarHBondContact O-N 3.47Å; K210-T213 PolarHBondContact O-OG1 3.42Å; K210-T213 VanDerWaalsContact O-OG1 3.09Å; K210-T214 HydrophobicContact CG-CG2 4.17Å; K210-T214 WeakPolarHBondContact O-CB 3.18Å; K210-T214 VanDerWaalsContact O-CG2 3.3Å; K210-T214 WeakPolarHBondContact O-CG2 3.42Å; K210-T214 PolarHBondContact O-N 2.95Å; K210-T214 PolarHBondContact O-OG1 3.04Å |
| 211 | H | 94.4 | Very high | 95.2 | Very high | 11 Ų | 11 | 43.7 Ų | 43.7 | 5% | 0.051 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.7 | -43.9 | -180 | -166.6 | 98.4 | 0 | 0 | 0 | 111.8 | S69 D70 L77 S78 L207 L208 K209 L215 | S69-H211 PolarHBondContact O-CE1 3.3Å; D70-H211 IonicContact OD1-CE1 3.82Å; L77-H211 HydrophobicContact CD2-CB 3.87Å; S78-H211 PolarHBondContact OG-NE2 2.97Å; L207-H211 WeakPolarHBondContact O-CB 3.3Å; L207-H211 PolarHBondContact O-N 3.43Å; L208-H211 PolarHBondContact O-N 3.02Å; K209-H211 VanDerWaalsContact C-N 3.34Å; H211-L215 VanDerWaalsContact CE1-CD1 3.42Å; H211-L215 WeakPolarHBondContact CE1-CD1 3.22Å; H211-L215 VanDerWaalsContact O-CB 3.28Å; H211-L215 WeakPolarHBondContact O-CB 3.47Å; H211-L215 PolarHBondContact O-N 3.45Å |
| 212 | W | 93.7 | Very high | 95.3 | Very high | 37 Ų | 37 | 36.2 Ų | 36.2 | 14% | 0.14 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.2 | -57.8 | 173 | 173.2 | 67.8 | 0 | 0 | 0 | 112 | L81 P139 L141 L208 K209 K210 T214 L215 Y216 | L81-W212 HydrophobicContact CD1-CB 3.94Å; L81-W212 HydrophobicContact CD1-CG 4.4Å; L81-W212 HydrophobicContact CD2-CB 3.87Å; P139-W212 HydrophobicContact CG-CD2 3.99Å; P139-W212 VanDerWaalsContact CG-CE2 3.46Å; P139-W212 HydrophobicContact CG-CE3 4.47Å; P139-W212 HydrophobicContact CG-CH2 4.13Å; P139-W212 HydrophobicContact CG-CZ2 3.59Å; L141-W212 HydrophobicContact CD1-CB 4.35Å; L141-W212 HydrophobicContact CD1-CD2 4.06Å; L141-W212 HydrophobicContact CD1-CE3 3.95Å; L141-W212 HydrophobicContact CD1-CG 4.2Å; L208-W212 PolarHBondContact O-N 3.39Å; K209-W212 PolarHBondContact O-N 3.42Å; K210-W212 PolarHBondContact O-N 3.36Å; W212-T214 PolarHBondContact O-N 3.44Å; W212-T214 VanDerWaalsContact O-N 3.16Å; W212-L215 PolarHBondContact O-N 3.09Å; W212-Y216 AromaticContact CD1-CG 3.82Å; W212-Y216 WeakPolarHBondContact O-CB 3.42Å; W212-Y216 PolarHBondContact O-N 2.84Å |
| 213 | T | 92.5 | Very high | 95.4 | Very high | 76 Ų | 76 | 34.2 Ų | 34.2 | 47% | 0.466 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.7 | -27.1 | -175.8 | 51.4 | 0 | 0 | 0 | 0 | 114.3 | K209 K210 N248 | K209-T213 WeakPolarHBondContact O-CB 3.31Å; K209-T213 WeakPolarHBondContact O-CG2 3.29Å; K209-T213 PolarHBondContact O-N 3.12Å; K209-T213 PolarHBondContact O-OG1 3.34Å; K210-T213 WeakPolarHBondContact CA-OG1 3.34Å; K210-T213 PolarHBondContact O-N 3.47Å; K210-T213 PolarHBondContact O-OG1 3.42Å; K210-T213 VanDerWaalsContact O-OG1 3.09Å; T213-N248 PolarHBondContact O-ND2 3.26Å |
| 214 | T | 92.9 | Very high | 95.6 | Very high | 34 Ų | 34 | 29.2 Ų | 29.2 | 21% | 0.209 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -92.1 | -39.8 | 179.6 | 61.3 | 0 | 0 | 0 | 0 | 113.4 | K210 W212 | K210-T214 HydrophobicContact CG-CG2 4.17Å; K210-T214 WeakPolarHBondContact O-CB 3.18Å; K210-T214 VanDerWaalsContact O-CG2 3.3Å; K210-T214 WeakPolarHBondContact O-CG2 3.42Å; K210-T214 PolarHBondContact O-N 2.95Å; K210-T214 PolarHBondContact O-OG1 3.04Å; W212-T214 PolarHBondContact O-N 3.44Å; W212-T214 VanDerWaalsContact O-N 3.16Å |
| 215 | L | 94.6 | Very high | 95.7 | Very high | 14 Ų | 14 | 28.9 Ų | 28.9 | 7% | 0.073 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -104.5 | -31.6 | -168.8 | -51.9 | -171.6 | 0 | 0 | 0 | 113.7 | V65 H211 W212 S217 R220 V251 I253 | V65-L215 HydrophobicContact CB-CB 4.5Å; V65-L215 HydrophobicContact CG1-CB 3.93Å; V65-L215 HydrophobicContact CG1-CD1 3.78Å; V65-L215 HydrophobicContact CG2-CB 3.77Å; V65-L215 WeakPolarHBondContact CG2-O 3.34Å; H211-L215 VanDerWaalsContact CE1-CD1 3.42Å; H211-L215 WeakPolarHBondContact CE1-CD1 3.22Å; H211-L215 VanDerWaalsContact O-CB 3.28Å; H211-L215 WeakPolarHBondContact O-CB 3.47Å; H211-L215 PolarHBondContact O-N 3.45Å; W212-L215 PolarHBondContact O-N 3.09Å; L215-S217 VanDerWaalsContact C-N 3.34Å; L215-S217 PolarHBondContact O-N 3.34Å; L215-R220 VanDerWaalsContact O-CD 3.3Å; L215-R220 WeakPolarHBondContact O-CD 3.5Å; L215-V251 HydrophobicContact CD2-CG1 3.95Å; L215-I253 HydrophobicContact CD1-CD1 4.35Å; L215-I253 HydrophobicContact CD2-CD1 4.13Å; L215-I253 HydrophobicContact CD2-CG1 4.43Å |
| 216 | Y | 94.9 | Very high | 95.7 | Very high | 8 Ų | 8 | 27.1 Ų | 27.1 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | trans | -79.4 | 83.8 | 177.5 | -87.3 | -122.7 | 0 | 0 | 0 | 110.4 | V63 L81 L85 T114 Y116 W212 M221 | V63-Y216 HydrophobicContact CG1-CD2 4.4Å; V63-Y216 HydrophobicContact CG1-CE2 4.44Å; V63-Y216 HydrophobicContact CG1-CG 4.44Å; V63-Y216 HydrophobicContact CG2-CD1 4.19Å; V63-Y216 HydrophobicContact CG2-CE1 3.89Å; L81-Y216 HydrophobicContact CD2-CD2 3.66Å; L81-Y216 HydrophobicContact CD2-CE1 4.49Å; L81-Y216 HydrophobicContact CD2-CE2 3.37Å; L81-Y216 HydrophobicContact CD2-CG 4.35Å; L81-Y216 HydrophobicContact CG-CE2 4.25Å; L85-Y216 HydrophobicContact CD1-CD1 3.87Å; L85-Y216 HydrophobicContact CD1-CE1 3.26Å; T114-Y216 WeakPolarHBondContact CB-OH 3.38Å; T114-Y216 WeakPolarHBondContact CG2-OH 3.45Å; T114-Y216 PolarHBondContact OG1-OH 3.18Å; Y116-Y216 HydrophobicContact CE2-CE1 4.07Å; Y116-Y216 PolarHBondContact OH-OH 2.96Å; W212-Y216 AromaticContact CD1-CG 3.82Å; W212-Y216 WeakPolarHBondContact O-CB 3.42Å; W212-Y216 PolarHBondContact O-N 2.84Å; Y216-M221 HydrophobicContact CD1-CE 4.34Å | ||
| 217 | S | 95.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -130.4 | 135.2 | -169.6 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | L215 H219 R220 P246 A247 N248 | L215-S217 VanDerWaalsContact C-N 3.34Å; L215-S217 PolarHBondContact O-N 3.34Å; S217-H219 VanDerWaalsContact C-N 3.27Å; S217-H219 PolarHBondContact O-N 2.99Å; S217-H219 VanDerWaalsContact O-N 3.11Å; S217-H219 PolarHBondContact OG-CE1 2.76Å; S217-H219 PolarHBondContact OG-ND1 3.26Å; S217-R220 WeakPolarHBondContact O-CB 3.22Å; S217-R220 PolarHBondContact O-N 2.91Å; S217-P246 WeakPolarHBondContact CA-O 3.37Å; S217-A247 WeakPolarHBondContact OG-CA 3.19Å; S217-N248 WeakPolarHBondContact OG-CA 3.47Å; S217-N248 PolarHBondContact OG-N 3.32Å; S217-N248 PolarHBondContact OG-O 3.44Å | ||
| 218 | A | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -53.6 | -37.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N33 M35 R220 M221 I245 P246 A247 | N33-A218 HydrophobicContact CB-CB 3.76Å; N33-A218 VanDerWaalsContact CG-CB 3.41Å; N33-A218 WeakPolarHBondContact ND2-CB 3.41Å; M35-A218 VanDerWaalsContact CA-O 3.26Å; M35-A218 WeakPolarHBondContact CA-O 3Å; M35-A218 HydrophobicContact CB-CB 4.4Å; M35-A218 HydrophobicContact CE-CB 4.37Å; M35-A218 PolarHBondContact N-O 2.71Å; A218-R220 PolarHBondContact O-N 3.33Å; A218-R220 VanDerWaalsContact O-N 3.12Å; A218-M221 WeakPolarHBondContact O-CB 3.48Å; A218-M221 PolarHBondContact O-N 3.39Å; A218-I245 HydrophobicContact CB-CB 4.34Å; A218-I245 HydrophobicContact CB-CG2 4.03Å; A218-P246 PolarHBondContact N-O 2.8Å; A218-A247 HydrophobicContact CB-CB 4.34Å |
| 219 | H | 95.5 | Very high | 94.9 | Very high | 60 Ų | 60 | 28.8 Ų | 28.8 | 28% | 0.278 | 14% | 0.136 | S | C | . | . | G | 310 helix | trans | -65.3 | -11 | 177.1 | 76.6 | -64 | 0 | 0 | 0 | 115.1 | N33 S217 N248 | N33-H219 PolarHBondContact O-N 2.94Å; S217-H219 VanDerWaalsContact C-N 3.27Å; S217-H219 PolarHBondContact O-N 2.99Å; S217-H219 VanDerWaalsContact O-N 3.11Å; S217-H219 PolarHBondContact OG-CE1 2.76Å; S217-H219 PolarHBondContact OG-ND1 3.26Å; H219-N248 PolarHBondContact CE1-O 2.77Å |
| 220 | R | 95.9 | Very high | 94.9 | Very high | 26 Ų | 26 | 27 Ų | 27 | 10% | 0.098 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -102.2 | 4.7 | 173.5 | -64.4 | 165.1 | 174.5 | -96.1 | 2.6 | 112.2 | N64 L215 S217 A218 V251 I253 H443 | N64-R220 HydrophobicContact CB-CB 4.44Å; N64-R220 PolarHBondContact N-O 2.93Å; L215-R220 VanDerWaalsContact O-CD 3.3Å; L215-R220 WeakPolarHBondContact O-CD 3.5Å; S217-R220 WeakPolarHBondContact O-CB 3.22Å; S217-R220 PolarHBondContact O-N 2.91Å; A218-R220 PolarHBondContact O-N 3.33Å; A218-R220 VanDerWaalsContact O-N 3.12Å; R220-V251 PolarHBondContact NH2-O 3.1Å; R220-I253 VanDerWaalsContact NH1-CG1 3.34Å; R220-H443 PolarHBondContact O-CE1 3.5Å |
| 221 | M | 97.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 142.2 | -175 | -62.1 | 179.5 | 177.2 | 0 | 0 | 110.7 | M35 K36 L61 C62 V63 F136 Y216 A218 I245 | M35-M221 HydrophobicContact CE-CB 3.84Å; M35-M221 HydrophobicContact CE-CG 4.38Å; M35-M221 HydrophobicContact CE-SD 3.65Å; M35-M221 HydrophobicContact CG-CB 4.05Å; K36-M221 PolarHBondContact N-O 3Å; K36-M221 VanDerWaalsContact N-O 3.16Å; L61-M221 HydrophobicContact CD1-SD 4.24Å; L61-M221 HydrophobicContact CD2-CB 4.42Å; L61-M221 HydrophobicContact CD2-CG 4.19Å; L61-M221 HydrophobicContact CD2-SD 4.1Å; C62-M221 WeakPolarHBondContact O-CA 3.31Å; V63-M221 HydrophobicContact CG1-CG 4.46Å; V63-M221 HydrophobicContact CG2-CE 4.18Å; V63-M221 HydrophobicContact CG2-CG 4.22Å; F136-M221 HydrophobicContact CD1-CE 4.36Å; Y216-M221 HydrophobicContact CD1-CE 4.34Å; A218-M221 WeakPolarHBondContact O-CB 3.48Å; A218-M221 PolarHBondContact O-N 3.39Å; M221-I245 HydrophobicContact CE-CG2 4.19Å; M221-I245 HydrophobicContact SD-CG2 3.93Å |
| 222 | T | 98.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 141.7 | 166.7 | 49.5 | 0 | 0 | 0 | 0 | 108.3 | K36 L61 C62 A439 L442 H443 | K36-T222 HydrophobicContact CB-CG2 4.06Å; K36-T222 HydrophobicContact CD-CG2 4.25Å; K36-T222 CarbonylContact O-C 3.52Å; K36-T222 VanDerWaalsContact O-CA 3.27Å; K36-T222 WeakPolarHBondContact O-CA 3.15Å; L61-T222 CarbonylContact C-O 3.23Å; L61-T222 VanDerWaalsContact CA-O 3.28Å; L61-T222 WeakPolarHBondContact CA-O 3.39Å; C62-T222 WeakPolarHBondContact CB-OG1 3.14Å; C62-T222 PolarHBondContact N-O 3.36Å; C62-T222 PolarHBondContact O-N 3.09Å; C62-T222 PolarHBondContact O-OG1 3.09Å; T222-A439 WeakPolarHBondContact CB-O 3.36Å; T222-A439 PolarHBondContact OG1-O 3.33Å; T222-L442 HydrophobicContact CG2-CB 3.42Å; T222-L442 VanDerWaalsContact CG2-CB 3.42Å; T222-L442 HydrophobicContact CG2-CD1 4.42Å; T222-H443 WeakPolarHBondContact CG2-CE1 3.19Å; T222-H443 PolarHBondContact OG1-CD2 2.85Å; T222-H443 PolarHBondContact OG1-NE2 3.05Å |
| 223 | L | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 129 | 179.1 | 177.1 | 69.8 | 0 | 0 | 0 | 109.4 | M35 K36 V37 M38 A60 L61 V225 I238 F242 | M35-L223 HydrophobicContact CG-CB 4.5Å; M35-L223 HydrophobicContact SD-CB 3.96Å; M35-L223 HydrophobicContact SD-CD2 4.32Å; K36-L223 PolarHBondContact O-N 3.19Å; V37-L223 CarbonylContact C-O 3.58Å; V37-L223 VanDerWaalsContact CA-O 3.3Å; V37-L223 WeakPolarHBondContact CA-O 3.48Å; V37-L223 HydrophobicContact CG1-CD2 4.43Å; V37-L223 HydrophobicContact CG2-CB 4.35Å; V37-L223 HydrophobicContact CG2-CD2 4.47Å; M38-L223 PolarHBondContact N-O 3Å; A60-L223 CarbonylContact O-C 3.6Å; A60-L223 WeakPolarHBondContact O-CA 3.48Å; L61-L223 HydrophobicContact CB-CD1 4.15Å; L223-V225 HydrophobicContact CD1-CG2 4.1Å; L223-V225 HydrophobicContact CD2-CG2 4.19Å; L223-V225 HydrophobicContact CG-CG2 3.96Å; L223-I238 HydrophobicContact CD2-CD1 4.17Å; L223-I238 HydrophobicContact CD2-CG2 3.82Å; L223-F242 HydrophobicContact CD1-CE1 3.99Å; L223-F242 HydrophobicContact CD1-CZ 4.1Å; L223-F242 HydrophobicContact CD2-CD1 3.82Å; L223-F242 HydrophobicContact CD2-CD2 3.88Å; L223-F242 HydrophobicContact CD2-CE1 3.85Å; L223-F242 HydrophobicContact CD2-CE2 3.89Å; L223-F242 HydrophobicContact CD2-CG 3.85Å; L223-F242 HydrophobicContact CD2-CZ 3.88Å |
| 224 | A | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 134.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | M38 A59 A60 V435 I438 A439 | M38-A224 VanDerWaalsContact O-CA 3.32Å; M38-A224 WeakPolarHBondContact O-CA 3.32Å; A59-A224 CarbonylContact C-O 3.55Å; A59-A224 VanDerWaalsContact CA-O 3.24Å; A59-A224 WeakPolarHBondContact CA-O 3.26Å; A60-A224 PolarHBondContact N-O 2.8Å; A60-A224 PolarHBondContact O-N 2.85Å; A224-V435 HydrophobicContact CB-CB 3.88Å; A224-V435 HydrophobicContact CB-CG1 4.18Å; A224-V435 WeakPolarHBondContact CB-O 3.5Å; A224-I438 HydrophobicContact CB-CB 3.87Å; A224-I438 HydrophobicContact CB-CG2 3.68Å; A224-A439 HydrophobicContact CB-CB 4.03Å |
| 225 | V | 98.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 121.4 | -177.3 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | M38 L39 I40 A59 F125 L129 L223 M234 I238 | M38-V225 PolarHBondContact O-N 3.41Å; L39-V225 CarbonylContact C-O 3.5Å; L39-V225 WeakPolarHBondContact CA-O 3.47Å; L39-V225 HydrophobicContact CD2-CB 4.05Å; I40-V225 WeakPolarHBondContact CD1-O 3.43Å; I40-V225 PolarHBondContact N-O 2.6Å; A59-V225 HydrophobicContact CB-CG2 3.91Å; F125-V225 HydrophobicContact CE1-CG1 3.8Å; F125-V225 HydrophobicContact CZ-CG1 3.73Å; L129-V225 HydrophobicContact CD1-CG2 4.45Å; L223-V225 HydrophobicContact CD1-CG2 4.1Å; L223-V225 HydrophobicContact CD2-CG2 4.19Å; L223-V225 HydrophobicContact CG-CG2 3.96Å; V225-M234 HydrophobicContact CG1-SD 4.22Å; V225-I238 HydrophobicContact CG2-CD1 3.9Å |
| 226 | Q | 95.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.009 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 126.3 | 173.9 | -176.7 | 171.7 | -40.9 | 0 | 0 | 110.7 | R24 I40 S57 A58 P431 V435 | R24-Q226 VanDerWaalsContact NH1-OE1 3.1Å; I40-Q226 HydrophobicContact CB-CB 3.99Å; I40-Q226 HydrophobicContact CB-CG 4.02Å; I40-Q226 HydrophobicContact CD1-CB 4.32Å; I40-Q226 HydrophobicContact CG2-CG 4.03Å; I40-Q226 VanDerWaalsContact O-CA 3.29Å; I40-Q226 WeakPolarHBondContact O-CA 3.47Å; S57-Q226 CarbonylContact C-O 3.57Å; S57-Q226 VanDerWaalsContact CA-O 3.27Å; S57-Q226 WeakPolarHBondContact CA-O 3.35Å; S57-Q226 VanDerWaalsContact CB-O 3.32Å; S57-Q226 WeakPolarHBondContact CB-O 3.43Å; A58-Q226 PolarHBondContact N-O 3.01Å; A58-Q226 PolarHBondContact O-N 3.37Å; Q226-P431 HydrophobicContact CG-CB 4.37Å; Q226-V435 HydrophobicContact CB-CG1 3.85Å |
| 227 | S | 93.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 168.4 | 175.6 | -169.5 | 0 | 0 | 0 | 0 | 112.2 | I40 S41 T42 S57 D229 | I40-S227 PolarHBondContact O-N 2.84Å; S41-S227 WeakPolarHBondContact CA-O 3.31Å; T42-S227 PolarHBondContact N-O 3.39Å; T42-S227 VanDerWaalsContact N-O 3.09Å; T42-S227 PolarHBondContact OG1-O 3.21Å; S57-S227 WeakPolarHBondContact OG-CA 3.3Å; S57-S227 PolarHBondContact OG-OG 3.38Å; S227-D229 PolarHBondContact OG-N 3.3Å |
| 228 | K | 88.4 | Confident | 95.8 | Very high | 82 Ų | 82 | 33.4 Ų | 33.4 | 36% | 0.357 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -78.2 | -8.1 | 170 | -73 | -175.6 | 168.6 | 174.8 | 0 | 113.3 | T42 C43 D54 E122 | T42-K228 WeakPolarHBondContact OG1-CG 3.45Å; C43-K228 VanDerWaalsContact CB-O 3.29Å; C43-K228 WeakPolarHBondContact CB-O 3.49Å; D54-K228 WeakPolarHBondContact O-CE 3.47Å; D54-K228 PolarHBondContact O-NZ 3.23Å; E122-K228 HydrophobicContact CG-CB 4.17Å |
| 229 | D | 90.2 | Very high | 95.8 | Very high | 23 Ų | 23 | 38 Ų | 38 | 12% | 0.123 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -65.8 | 149.7 | 174.1 | -81.7 | -22.4 | 0 | 0 | 0 | 111.6 | S41 S227 K233 M234 | S41-D229 WeakPolarHBondContact CB-O 3.28Å; S41-D229 PolarHBondContact OG-O 2.85Å; S227-D229 PolarHBondContact OG-N 3.3Å; D229-K233 HydrophobicContact CB-CB 4.37Å; D229-K233 HydrophobicContact CB-CD 4.07Å; D229-K233 HydrophobicContact CB-CG 4.32Å; D229-K233 VanDerWaalsContact CG-CD 3.48Å; D229-K233 VanDerWaalsContact CG-CE 3.47Å; D229-K233 WeakPolarHBondContact OD1-CD 3.33Å; D229-K233 WeakPolarHBondContact OD1-CE 3.09Å; D229-K233 IonicContact OD1-NZ 2.67Å; D229-K233 PolarHBondContact OD1-NZ 3.14Å; D229-K233 WeakPolarHBondContact OD2-CD 3.4Å; D229-K233 WeakPolarHBondContact OD2-CE 3.22Å; D229-K233 IonicContact OD2-NZ 3.12Å; D229-K233 PolarHBondContact OD2-NZ 2.84Å; D229-K233 VanDerWaalsContact OD2-NZ 3.12Å; D229-M234 HydrophobicContact CB-CG 3.62Å; D229-M234 HydrophobicContact CB-SD 4.48Å; D229-M234 WeakPolarHBondContact O-CE 3.36Å |
| 230 | S | 92.5 | Very high | 95.9 | Very high | 53 Ų | 53 | 41.5 Ų | 41.5 | 37% | 0.371 | 20% | 0.195 | S | C | . | . | trans | -62.3 | 151.5 | 172.5 | 68.3 | 0 | 0 | 0 | 0 | 111.2 | N232 K233 M234 | S230-N232 PolarHBondContact O-N 3.03Å; S230-N232 VanDerWaalsContact O-N 3.13Å; S230-K233 PolarHBondContact O-N 3.45Å; S230-K233 PolarHBondContact OG-N 3.35Å; S230-M234 PolarHBondContact O-N 3.32Å | ||
| 231 | L | 94.7 | Very high | 95.8 | Very high | 21 Ų | 21 | 41.1 Ų | 41.1 | 11% | 0.11 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -52.7 | -37.7 | 178.5 | -67.8 | 173.5 | 0 | 0 | 0 | 112.6 | R27 L39 M234 E235 | R27-L231 HydrophobicContact CB-CD1 4.2Å; R27-L231 HydrophobicContact CB-CD2 4Å; L39-L231 HydrophobicContact CB-CD2 3.83Å; L231-M234 HydrophobicContact CD2-CE 3.82Å; L231-E235 VanDerWaalsContact O-CB 3.3Å; L231-E235 WeakPolarHBondContact O-CB 3.37Å; L231-E235 PolarHBondContact O-N 3.16Å |
| 232 | N | 95.2 | Very high | 95.8 | Very high | 110 Ų | 110 | 41 Ų | 41 | 59% | 0.588 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -67.6 | -41.3 | 178.6 | -66.7 | -20 | 0 | 0 | 0 | 112.5 | R27 S230 K236 | R27-N232 PolarHBondContact NH1-OD1 2.74Å; R27-N232 PolarHBondContact NH2-OD1 2.86Å; S230-N232 PolarHBondContact O-N 3.03Å; S230-N232 VanDerWaalsContact O-N 3.13Å; N232-K236 PolarHBondContact O-N 3.28Å; N232-K236 VanDerWaalsContact O-N 3.16Å |
| 233 | K | 95.3 | Very high | 95.7 | Very high | 102 Ų | 102 | 42.8 Ų | 42.8 | 44% | 0.443 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.5 | -46.8 | 177.5 | 179.9 | 175.7 | 169.2 | -159.6 | 0 | 110.5 | D229 S230 E235 K236 I237 | D229-K233 HydrophobicContact CB-CB 4.37Å; D229-K233 HydrophobicContact CB-CD 4.07Å; D229-K233 HydrophobicContact CB-CG 4.32Å; D229-K233 VanDerWaalsContact CG-CD 3.48Å; D229-K233 VanDerWaalsContact CG-CE 3.47Å; D229-K233 WeakPolarHBondContact OD1-CD 3.33Å; D229-K233 WeakPolarHBondContact OD1-CE 3.09Å; D229-K233 IonicContact OD1-NZ 2.67Å; D229-K233 PolarHBondContact OD1-NZ 3.14Å; D229-K233 WeakPolarHBondContact OD2-CD 3.4Å; D229-K233 WeakPolarHBondContact OD2-CE 3.22Å; D229-K233 IonicContact OD2-NZ 3.12Å; D229-K233 PolarHBondContact OD2-NZ 2.84Å; D229-K233 VanDerWaalsContact OD2-NZ 3.12Å; S230-K233 PolarHBondContact O-N 3.45Å; S230-K233 PolarHBondContact OG-N 3.35Å; K233-E235 PolarHBondContact O-N 3.16Å; K233-K236 PolarHBondContact O-N 2.79Å; K233-I237 HydrophobicContact CG-CD1 3.99Å; K233-I237 WeakPolarHBondContact O-CG1 3.48Å; K233-I237 PolarHBondContact O-N 3.34Å; K233-I237 VanDerWaalsContact O-N 3.12Å |
| 234 | M | 96.5 | Very high | 95.5 | Very high | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.025 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.6 | -47.7 | 176.6 | -71.5 | -168.3 | -68.9 | 0 | 0 | 111.7 | L39 V225 D229 S230 L231 K236 I237 I238 | L39-M234 HydrophobicContact CB-CE 4.06Å; L39-M234 HydrophobicContact CD1-CB 3.86Å; L39-M234 HydrophobicContact CD2-CB 4.18Å; V225-M234 HydrophobicContact CG1-SD 4.22Å; D229-M234 HydrophobicContact CB-CG 3.62Å; D229-M234 HydrophobicContact CB-SD 4.48Å; D229-M234 WeakPolarHBondContact O-CE 3.36Å; S230-M234 PolarHBondContact O-N 3.32Å; L231-M234 HydrophobicContact CD2-CE 3.82Å; M234-K236 VanDerWaalsContact C-N 3.31Å; M234-K236 PolarHBondContact O-N 3.42Å; M234-I237 PolarHBondContact O-N 3.05Å; M234-I237 VanDerWaalsContact O-N 3.11Å; M234-I238 WeakPolarHBondContact O-CG1 3.4Å; M234-I238 PolarHBondContact O-N 2.81Å |
| 235 | E | 97.3 | Very high | 95.3 | Very high | 36 Ų | 36 | 49 Ų | 49 | 17% | 0.168 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.9 | -43 | 179.5 | -178 | 174.4 | 165.5 | 0 | 0 | 112.3 | R27 F29 L39 L231 K233 I237 I238 R239 | R27-E235 WeakPolarHBondContact CD-OE2 3.07Å; R27-E235 IonicContact CZ-OE2 3.66Å; R27-E235 IonicContact NE-OE2 3.84Å; R27-E235 IonicContact NH1-OE2 2.75Å; R27-E235 PolarHBondContact NH1-OE2 3.49Å; F29-E235 HydrophobicContact CD1-CG 4.43Å; F29-E235 HydrophobicContact CE1-CB 4.32Å; F29-E235 HydrophobicContact CE1-CG 3.89Å; F29-E235 HydrophobicContact CE2-CG 4.35Å; F29-E235 HydrophobicContact CZ-CB 4.46Å; F29-E235 HydrophobicContact CZ-CG 3.84Å; L39-E235 HydrophobicContact CD1-CB 3.8Å; L231-E235 VanDerWaalsContact O-CB 3.3Å; L231-E235 WeakPolarHBondContact O-CB 3.37Å; L231-E235 PolarHBondContact O-N 3.16Å; K233-E235 PolarHBondContact O-N 3.16Å; E235-I237 PolarHBondContact O-N 3.28Å; E235-I238 PolarHBondContact O-N 2.52Å; E235-R239 HydrophobicContact CG-CG 4.49Å; E235-R239 VanDerWaalsContact O-CG 3.32Å; E235-R239 WeakPolarHBondContact O-CG 3.19Å; E235-R239 PolarHBondContact O-N 3.05Å; E235-R239 IonicContact OE1-CZ 3.5Å; E235-R239 VanDerWaalsContact OE1-CZ 3.26Å; E235-R239 IonicContact OE1-NE 2.95Å; E235-R239 PolarHBondContact OE1-NE 3.06Å; E235-R239 IonicContact OE1-NH2 3.93Å; E235-R239 PolarHBondContact OE1-NH2 2.97Å |
| 236 | K | 97.6 | Very high | 95.1 | Very high | 152 Ų | 152 | 52.1 Ų | 52.1 | 66% | 0.661 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -58.7 | -48.1 | 175.3 | -175.6 | -177.4 | 176 | -174.8 | 0 | 111.4 | N232 K233 M234 I238 R239 E240 | N232-K236 PolarHBondContact O-N 3.28Å; N232-K236 VanDerWaalsContact O-N 3.16Å; K233-K236 PolarHBondContact O-N 2.79Å; M234-K236 VanDerWaalsContact C-N 3.31Å; M234-K236 PolarHBondContact O-N 3.42Å; K236-I238 PolarHBondContact O-N 3.32Å; K236-R239 PolarHBondContact O-N 3.38Å; K236-E240 PolarHBondContact O-N 2.94Å |
| 237 | I | 96.7 | Very high | 95 | Very high | 22 Ų | 22 | 54.2 Ų | 54.2 | 11% | 0.113 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 179.2 | -67.2 | 166.4 | 0 | 0 | 0 | 111 | N126 L129 K233 M234 E235 E240 K241 | N126-I237 VanDerWaalsContact OD1-CG2 3.31Å; N126-I237 WeakPolarHBondContact OD1-CG2 3.31Å; L129-I237 HydrophobicContact CD2-CG2 3.98Å; K233-I237 HydrophobicContact CG-CD1 3.99Å; K233-I237 WeakPolarHBondContact O-CG1 3.48Å; K233-I237 PolarHBondContact O-N 3.34Å; K233-I237 VanDerWaalsContact O-N 3.12Å; M234-I237 PolarHBondContact O-N 3.05Å; M234-I237 VanDerWaalsContact O-N 3.11Å; E235-I237 PolarHBondContact O-N 3.28Å; I237-E240 PolarHBondContact O-N 2.98Å; I237-K241 HydrophobicContact CG2-CD 3.8Å; I237-K241 WeakPolarHBondContact O-CB 3.05Å; I237-K241 WeakPolarHBondContact O-CG 3.21Å; I237-K241 PolarHBondContact O-N 3.12Å |
| 238 | I | 98.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.7 | -44.4 | 179.3 | -62 | -41.9 | 0 | 0 | 0 | 111.5 | F29 L31 V37 L39 L129 L223 V225 M234 E235 K236 E240 K241 F242 | F29-I238 HydrophobicContact CZ-CB 4.31Å; F29-I238 HydrophobicContact CZ-CG2 4.16Å; L31-I238 HydrophobicContact CD1-CG2 4.28Å; V37-I238 HydrophobicContact CG1-CG2 4.08Å; V37-I238 HydrophobicContact CG2-CG2 4.08Å; L39-I238 HydrophobicContact CD2-CG1 3.81Å; L129-I238 HydrophobicContact CD2-CD1 3.69Å; L223-I238 HydrophobicContact CD2-CD1 4.17Å; L223-I238 HydrophobicContact CD2-CG2 3.82Å; V225-I238 HydrophobicContact CG2-CD1 3.9Å; M234-I238 WeakPolarHBondContact O-CG1 3.4Å; M234-I238 PolarHBondContact O-N 2.81Å; E235-I238 PolarHBondContact O-N 2.52Å; K236-I238 PolarHBondContact O-N 3.32Å; I238-E240 VanDerWaalsContact C-N 3.28Å; I238-E240 PolarHBondContact O-N 3.47Å; I238-K241 PolarHBondContact O-N 3.14Å; I238-F242 HydrophobicContact CD1-CD2 4.11Å; I238-F242 HydrophobicContact CD1-CE2 3.92Å; I238-F242 HydrophobicContact CG2-CB 4.32Å; I238-F242 HydrophobicContact CG2-CD2 4.02Å; I238-F242 HydrophobicContact CG2-CG 4.42Å; I238-F242 WeakPolarHBondContact O-CB 3.27Å; I238-F242 PolarHBondContact O-N 2.86Å |
| 239 | R | 97.8 | Very high | 94.6 | Very high | 97 Ų | 97 | 59.9 Ų | 59.9 | 37% | 0.366 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60 | -40.3 | 176.1 | -71.2 | 178.4 | -176.7 | -68.4 | -0.8 | 111.5 | F29 L31 E235 K236 S243 | F29-R239 HydrophobicContact CE2-CG 4.45Å; L31-R239 HydrophobicContact CD2-CB 4.42Å; L31-R239 HydrophobicContact CD2-CG 3.77Å; E235-R239 HydrophobicContact CG-CG 4.49Å; E235-R239 VanDerWaalsContact O-CG 3.32Å; E235-R239 WeakPolarHBondContact O-CG 3.19Å; E235-R239 PolarHBondContact O-N 3.05Å; E235-R239 IonicContact OE1-CZ 3.5Å; E235-R239 VanDerWaalsContact OE1-CZ 3.26Å; E235-R239 IonicContact OE1-NE 2.95Å; E235-R239 PolarHBondContact OE1-NE 3.06Å; E235-R239 IonicContact OE1-NH2 3.93Å; E235-R239 PolarHBondContact OE1-NH2 2.97Å; K236-R239 PolarHBondContact O-N 3.38Å; R239-S243 WeakPolarHBondContact O-CB 3.36Å; R239-S243 PolarHBondContact O-OG 2.8Å |
| 240 | E | 96.4 | Very high | 94.2 | Very high | 134 Ų | 134 | 63.4 Ų | 63.4 | 63% | 0.626 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65.2 | -43.8 | 177.4 | -172.9 | 179.2 | 164.3 | 0 | 0 | 112.5 | K236 I237 I238 | K236-E240 PolarHBondContact O-N 2.94Å; I237-E240 PolarHBondContact O-N 2.98Å; I238-E240 VanDerWaalsContact C-N 3.28Å; I238-E240 PolarHBondContact O-N 3.47Å |
| 241 | K | 95.4 | Very high | 93.7 | Very high | 18 Ų | 18 | 63.3 Ų | 63.3 | 8% | 0.078 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -89.8 | -33 | -169.4 | -69.7 | 177.8 | 174.2 | -178.8 | 0 | 115.1 | N126 H130 A133 M137 I237 I238 | N126-K241 VanDerWaalsContact CG-NZ 3.3Å; N126-K241 PolarHBondContact O-NZ 2.81Å; N126-K241 PolarHBondContact OD1-NZ 2.98Å; H130-K241 HydrophobicContact CB-CD 4.11Å; A133-K241 HydrophobicContact CB-CB 4.25Å; M137-K241 WeakPolarHBondContact CE-O 3.37Å; I237-K241 HydrophobicContact CG2-CD 3.8Å; I237-K241 WeakPolarHBondContact O-CB 3.05Å; I237-K241 WeakPolarHBondContact O-CG 3.21Å; I237-K241 PolarHBondContact O-N 3.12Å; I238-K241 PolarHBondContact O-N 3.14Å |
| 242 | F | 97.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -108.4 | -12.2 | -169.9 | -68.2 | -97.4 | 0 | 0 | 0 | 113.8 | L31 N33 M35 L61 L129 F132 A133 L223 I238 N244 I245 | L31-F242 HydrophobicContact CD1-CB 3.72Å; N33-F242 PolarHBondContact ND2-O 2.94Å; M35-F242 HydrophobicContact CE-CD1 4.32Å; M35-F242 HydrophobicContact SD-CB 4.15Å; M35-F242 HydrophobicContact SD-CD1 4.11Å; M35-F242 HydrophobicContact SD-CG 4.47Å; L61-F242 HydrophobicContact CD1-CD1 4.38Å; L61-F242 HydrophobicContact CD1-CE1 4.13Å; L129-F242 HydrophobicContact CD1-CE2 3.88Å; L129-F242 HydrophobicContact CD1-CZ 3.76Å; L129-F242 HydrophobicContact CD2-CE2 4.41Å; L129-F242 HydrophobicContact CG-CE2 3.92Å; L129-F242 HydrophobicContact CG-CZ 4.23Å; F132-F242 HydrophobicContact CD1-CE1 4.38Å; F132-F242 HydrophobicContact CD1-CZ 4.23Å; A133-F242 HydrophobicContact CB-CD1 4.25Å; A133-F242 HydrophobicContact CB-CD2 4.44Å; A133-F242 HydrophobicContact CB-CE1 3.92Å; A133-F242 HydrophobicContact CB-CE2 4.13Å; A133-F242 HydrophobicContact CB-CG 4.49Å; A133-F242 HydrophobicContact CB-CZ 3.86Å; L223-F242 HydrophobicContact CD1-CE1 3.99Å; L223-F242 HydrophobicContact CD1-CZ 4.1Å; L223-F242 HydrophobicContact CD2-CD1 3.82Å; L223-F242 HydrophobicContact CD2-CD2 3.88Å; L223-F242 HydrophobicContact CD2-CE1 3.85Å; L223-F242 HydrophobicContact CD2-CE2 3.89Å; L223-F242 HydrophobicContact CD2-CG 3.85Å; L223-F242 HydrophobicContact CD2-CZ 3.88Å; I238-F242 HydrophobicContact CD1-CD2 4.11Å; I238-F242 HydrophobicContact CD1-CE2 3.92Å; I238-F242 HydrophobicContact CG2-CB 4.32Å; I238-F242 HydrophobicContact CG2-CD2 4.02Å; I238-F242 HydrophobicContact CG2-CG 4.42Å; I238-F242 WeakPolarHBondContact O-CB 3.27Å; I238-F242 PolarHBondContact O-N 2.86Å; F242-N244 PolarHBondContact O-N 3.01Å; F242-I245 HydrophobicContact CB-CD1 4.2Å; F242-I245 HydrophobicContact CD1-CD1 3.58Å; F242-I245 HydrophobicContact CE1-CD1 4.42Å; F242-I245 HydrophobicContact CG-CD1 4.29Å; F242-I245 PolarHBondContact O-N 3.01Å |
| 243 | S | 96.3 | Very high | 92.8 | Very high | 37 Ų | 37 | 69.1 Ų | 69.1 | 26% | 0.259 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -25.1 | -179.9 | -78.4 | 0 | 0 | 0 | 0 | 114.1 | N33 R239 I245 | N33-S243 PolarHBondContact ND2-O 3.03Å; R239-S243 WeakPolarHBondContact O-CB 3.36Å; R239-S243 PolarHBondContact O-OG 2.8Å; S243-I245 VanDerWaalsContact C-N 3.33Å |
| 244 | N | 94.1 | Very high | 92.4 | Very high | 126 Ų | 126 | 68.6 Ų | 68.6 | 67% | 0.674 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -2.2 | -179 | -67.4 | -25.2 | 0 | 0 | 0 | 113.8 | M137 F242 | M137-N244 HydrophobicContact SD-CB 3.68Å; F242-N244 PolarHBondContact O-N 3.01Å |
| 245 | I | 94.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 69.2 Ų | 69.2 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -64.6 | 128.2 | 174.1 | -65.1 | 168.8 | 0 | 0 | 0 | 108.9 | N33 M35 F136 M137 A218 M221 F242 S243 | N33-I245 PolarHBondContact ND2-O 2.99Å; N33-I245 VanDerWaalsContact ND2-O 3.09Å; M35-I245 HydrophobicContact CE-CB 4.38Å; M35-I245 HydrophobicContact CE-CD1 3.56Å; M35-I245 HydrophobicContact CE-CG2 4.45Å; F136-I245 HydrophobicContact CB-CD1 3.93Å; F136-I245 HydrophobicContact CB-CG1 4.24Å; F136-I245 HydrophobicContact CB-CG2 4.44Å; M137-I245 HydrophobicContact CG-CB 4.41Å; M137-I245 HydrophobicContact CG-CG1 3.52Å; M137-I245 HydrophobicContact SD-CG1 4.47Å; A218-I245 HydrophobicContact CB-CB 4.34Å; A218-I245 HydrophobicContact CB-CG2 4.03Å; M221-I245 HydrophobicContact CE-CG2 4.19Å; M221-I245 HydrophobicContact SD-CG2 3.93Å; F242-I245 HydrophobicContact CB-CD1 4.2Å; F242-I245 HydrophobicContact CD1-CD1 3.58Å; F242-I245 HydrophobicContact CE1-CD1 4.42Å; F242-I245 HydrophobicContact CG-CD1 4.29Å; F242-I245 PolarHBondContact O-N 3.01Å; S243-I245 VanDerWaalsContact C-N 3.33Å |
| 246 | P | 93.3 | Very high | 91.6 | Very high | 68 Ų | 68 | 70.3 Ų | 70.3 | 44% | 0.442 | 36% | 0.359 | S | S | . | . | trans | -59.7 | 142.1 | -174.7 | -25.4 | 34 | 0 | 0 | 0 | 113.6 | S217 A218 | S217-P246 WeakPolarHBondContact CA-O 3.37Å; A218-P246 PolarHBondContact N-O 2.8Å | ||
| 247 | A | 92.9 | Very high | 91.3 | Very high | 45 Ų | 45 | 71.9 Ų | 71.9 | 37% | 0.372 | 36% | 0.36 | S | S | . | . | trans | -115.5 | 90.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | N33 S217 A218 R249 | N33-A247 HydrophobicContact CB-CB 4.18Å; N33-A247 VanDerWaalsContact O-CB 3.28Å; N33-A247 WeakPolarHBondContact O-CB 3.44Å; S217-A247 WeakPolarHBondContact OG-CA 3.19Å; A218-A247 HydrophobicContact CB-CB 4.34Å; A247-R249 PolarHBondContact O-N 3.09Å | ||
| 248 | N | 89.3 | Confident | 91.2 | Very high | 48 Ų | 48 | 73.5 Ų | 73.5 | 26% | 0.257 | 37% | 0.366 | S | S | . | . | trans | -84.7 | 101.2 | 167.7 | -171.4 | -7 | 0 | 0 | 0 | 110.9 | T213 S217 H219 S250 | T213-N248 PolarHBondContact O-ND2 3.26Å; S217-N248 WeakPolarHBondContact OG-CA 3.47Å; S217-N248 PolarHBondContact OG-N 3.32Å; S217-N248 PolarHBondContact OG-O 3.44Å; H219-N248 PolarHBondContact CE1-O 2.77Å; N248-S250 WeakPolarHBondContact OD1-CB 3.03Å; N248-S250 PolarHBondContact OD1-N 2.74Å; N248-S250 VanDerWaalsContact OD1-N 3.17Å; N248-S250 PolarHBondContact OD1-OG 2.84Å | ||
| 249 | R | 85.7 | Confident | 91 | Very high | 157 Ų | 157 | 81.2 Ų | 81.2 | 59% | 0.592 | 40% | 0.395 | S | S | * | . | trans | -93.6 | 6.2 | 179 | -62.4 | -175.9 | -178 | -162.4 | -1.9 | 113.7 | A247 | A247-R249 PolarHBondContact O-N 3.09Š| ||
| 250 | S | 80.4 | Confident | 90.7 | Very high | 97 Ų | 97 | 81.7 Ų | 81.7 | 68% | 0.678 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -77.1 | -25.7 | -173.7 | 66.5 | 0 | 0 | 0 | 0 | 113.8 | N248 | N248-S250 WeakPolarHBondContact OD1-CB 3.03Å; N248-S250 PolarHBondContact OD1-N 2.74Å; N248-S250 VanDerWaalsContact OD1-N 3.17Å; N248-S250 PolarHBondContact OD1-OG 2.84Å |
| 251 | V | 83.5 | Confident | 90.7 | Very high | 50 Ų | 50 | 75.4 Ų | 75.4 | 30% | 0.303 | 38% | 0.375 | S | S | . | . | trans | -102.7 | 120.6 | -176.9 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | L215 R220 | L215-V251 HydrophobicContact CD2-CG1 3.95Å; R220-V251 PolarHBondContact NH2-O 3.1Å | ||
| 252 | K | 83 | Confident | 90.7 | Very high | 195 Ų | 195 | 74.9 Ų | 74.9 | 85% | 0.848 | 37% | 0.373 | S | S | * | . | trans | -93.6 | 134.6 | 168 | -69.2 | -174 | 178.4 | -176.9 | 0 | 109.5 | ||||
| 253 | I | 87.2 | Confident | 90.5 | Very high | 58 Ų | 58 | 80.4 Ų | 80.4 | 30% | 0.297 | 40% | 0.403 | S | S | . | . | trans | -98.7 | 115.8 | 167.1 | -67.3 | 178.5 | 0 | 0 | 0 | 106.2 | V65 L215 R220 L255 | V65-I253 HydrophobicContact CG2-CD1 4.28Å; L215-I253 HydrophobicContact CD1-CD1 4.35Å; L215-I253 HydrophobicContact CD2-CD1 4.13Å; L215-I253 HydrophobicContact CD2-CG1 4.43Å; R220-I253 VanDerWaalsContact NH1-CG1 3.34Å; I253-L255 HydrophobicContact CG2-CD1 4.35Å; I253-L255 HydrophobicContact CG2-CD2 4.2Å; I253-L255 HydrophobicContact CG2-CG 3.91Å | ||
| 254 | D | 87.1 | Confident | 90.3 | Very high | 92 Ų | 92 | 79.3 Ų | 79.3 | 49% | 0.492 | 40% | 0.395 | S | S | . | . | trans | -123.5 | 104.9 | 174.8 | 179.7 | 11.1 | 0 | 0 | 0 | 109.2 | T256 | D254-T256 VanDerWaalsContact OD1-CB 3.29Å; D254-T256 WeakPolarHBondContact OD1-CB 3.26Å; D254-T256 WeakPolarHBondContact OD1-CG2 3.39Å; D254-T256 PolarHBondContact OD1-N 3.23Å; D254-T256 PolarHBondContact OD1-OG1 3.42Å; D254-T256 PolarHBondContact OD2-OG1 2.67Å | ||
| 255 | L | 91.4 | Very high | 90.1 | Very high | 18 Ų | 18 | 78.2 Ų | 78.2 | 9% | 0.094 | 39% | 0.394 | C | S | . | . | trans | -93.2 | -5.7 | 178.6 | -60 | 175.8 | 0 | 0 | 0 | 112.1 | F68 E112 P181 I253 R257 Y258 I343 | F68-L255 HydrophobicContact CB-CD1 4.17Å; F68-L255 HydrophobicContact CD2-CD1 4.15Å; E112-L255 HydrophobicContact CG-CD1 4.18Å; E112-L255 VanDerWaalsContact OE1-CD1 3.28Å; E112-L255 WeakPolarHBondContact OE1-CD1 3.42Å; P181-L255 HydrophobicContact CG-CD2 4.21Å; I253-L255 HydrophobicContact CG2-CD1 4.35Å; I253-L255 HydrophobicContact CG2-CD2 4.2Å; I253-L255 HydrophobicContact CG2-CG 3.91Å; L255-R257 PolarHBondContact O-N 3.3Å; L255-R257 VanDerWaalsContact O-N 3.12Å; L255-Y258 HydrophobicContact CD2-CD2 4.34Å; L255-Y258 HydrophobicContact CD2-CE2 4.36Å; L255-Y258 WeakPolarHBondContact O-CB 3.49Å; L255-Y258 WeakPolarHBondContact O-CD2 3.05Å; L255-Y258 PolarHBondContact O-N 2.56Å; L255-I343 HydrophobicContact CB-CD1 4.25Å; L255-I343 HydrophobicContact CB-CG1 3.75Å | ||
| 256 | T | 86.2 | Confident | 90 | Very high | 59 Ų | 59 | 82.4 Ų | 82.4 | 36% | 0.362 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -64.7 | -22.5 | -173.9 | 66.8 | 0 | 0 | 0 | 0 | 113.3 | D254 Y258 R259 | D254-T256 VanDerWaalsContact OD1-CB 3.29Å; D254-T256 WeakPolarHBondContact OD1-CB 3.26Å; D254-T256 WeakPolarHBondContact OD1-CG2 3.39Å; D254-T256 PolarHBondContact OD1-N 3.23Å; D254-T256 PolarHBondContact OD1-OG1 3.42Å; D254-T256 PolarHBondContact OD2-OG1 2.67Å; T256-Y258 PolarHBondContact O-N 3.32Å; T256-Y258 VanDerWaalsContact O-N 3.15Å; T256-R259 WeakPolarHBondContact O-CD 3.17Å; T256-R259 WeakPolarHBondContact O-CG 3.25Å; T256-R259 PolarHBondContact O-N 3.15Å |
| 257 | R | 90.9 | Very high | 90 | Very high | 184 Ų | 184 | 79.2 Ų | 79.2 | 69% | 0.694 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -62.8 | -16.1 | 173 | 69.2 | -177.2 | -177.6 | -173.1 | -1.2 | 114.2 | L255 | L255-R257 PolarHBondContact O-N 3.3Å; L255-R257 VanDerWaalsContact O-N 3.12Å |
| 258 | Y | 94.5 | Very high | 90 | Very high | 57 Ų | 57 | 79.5 Ų | 79.5 | 22% | 0.224 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -98 | 11.5 | -178 | -59.4 | -70.6 | 0 | 0 | 0 | 113.6 | G179 P181 L255 T256 N260 S261 I343 | G179-Y258 VanDerWaalsContact O-CE1 3.28Å; G179-Y258 WeakPolarHBondContact O-CE1 3.43Å; P181-Y258 VanDerWaalsContact CD-CG 3.4Å; P181-Y258 HydrophobicContact CG-CD1 4.42Å; P181-Y258 HydrophobicContact CG-CD2 3.58Å; P181-Y258 HydrophobicContact CG-CE1 4.47Å; P181-Y258 HydrophobicContact CG-CE2 3.66Å; P181-Y258 HydrophobicContact CG-CG 3.97Å; L255-Y258 HydrophobicContact CD2-CD2 4.34Å; L255-Y258 HydrophobicContact CD2-CE2 4.36Å; L255-Y258 WeakPolarHBondContact O-CB 3.49Å; L255-Y258 WeakPolarHBondContact O-CD2 3.05Å; L255-Y258 PolarHBondContact O-N 2.56Å; T256-Y258 PolarHBondContact O-N 3.32Å; T256-Y258 VanDerWaalsContact O-N 3.15Å; Y258-N260 PolarHBondContact O-N 2.98Å; Y258-S261 WeakPolarHBondContact O-CB 3.24Å; Y258-S261 PolarHBondContact O-N 3.2Å; Y258-S261 PolarHBondContact O-OG 2.78Å; Y258-I343 VanDerWaalsContact C-CG2 3.5Å; Y258-I343 WeakPolarHBondContact O-CG2 3.45Å |
| 259 | R | 92.8 | Very high | 90.3 | Very high | 162 Ų | 162 | 78.3 Ų | 78.3 | 61% | 0.611 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -29.6 | -178.7 | -80.6 | 167.5 | -175.9 | -167.8 | 4.5 | 114.3 | T256 S261 I343 | T256-R259 WeakPolarHBondContact O-CD 3.17Å; T256-R259 WeakPolarHBondContact O-CG 3.25Å; T256-R259 PolarHBondContact O-N 3.15Å; R259-S261 PolarHBondContact O-N 2.73Å; R259-I343 WeakPolarHBondContact CG-O 3.32Å |
| 260 | N | 92.9 | Very high | 90.7 | Very high | 108 Ų | 108 | 71 Ų | 71 | 58% | 0.578 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 26.4 | 179.5 | -60.8 | 7 | 0 | 0 | 0 | 112.7 | Y258 F262 D263 | Y258-N260 PolarHBondContact O-N 2.98Å; N260-F262 PolarHBondContact O-N 3.42Å; N260-D263 HydrophobicContact CB-CB 3.92Å; N260-D263 PolarHBondContact O-N 3.11Å; N260-D263 VanDerWaalsContact O-N 3.11Å |
| 261 | S | 95.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -26 | -173.8 | -76.5 | 0 | 0 | 0 | 0 | 114.1 | A176 V177 S180 Y258 R259 | A176-S261 CarbonylContact C-O 3.59Å; A176-S261 VanDerWaalsContact CA-O 3.24Å; A176-S261 WeakPolarHBondContact CA-O 3.23Å; V177-S261 PolarHBondContact N-O 2.92Å; S180-S261 WeakPolarHBondContact CB-OG 3.28Å; S180-S261 VanDerWaalsContact OG-CB 3.3Å; S180-S261 WeakPolarHBondContact OG-CB 3.32Å; S180-S261 PolarHBondContact OG-OG 2.99Å; Y258-S261 WeakPolarHBondContact O-CB 3.24Å; Y258-S261 PolarHBondContact O-N 3.2Å; Y258-S261 PolarHBondContact O-OG 2.78Å; R259-S261 PolarHBondContact O-N 2.73Å |
| 262 | F | 96 | Very high | 92 | Very high | 8 Ų | 8 | 64.8 Ų | 64.8 | 4% | 0.035 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | 13.9 | -179.2 | -62.9 | -79.1 | 0 | 0 | 0 | 112.8 | I172 A176 Y182 N260 S264 F267 A287 L346 | I172-F262 HydrophobicContact CG2-CE1 4.32Å; A176-F262 HydrophobicContact CB-CD1 4.25Å; A176-F262 HydrophobicContact CB-CE1 3.79Å; A176-F262 HydrophobicContact CB-CZ 4.08Å; Y182-F262 HydrophobicContact CD1-CE2 4.13Å; Y182-F262 AromaticContact CD1-CZ 3.94Å; Y182-F262 HydrophobicContact CD1-CZ 3.94Å; Y182-F262 AromaticContact CD2-CE2 3.77Å; Y182-F262 HydrophobicContact CD2-CE2 3.77Å; Y182-F262 HydrophobicContact CD2-CZ 4.23Å; Y182-F262 HydrophobicContact CE1-CE2 4.28Å; Y182-F262 HydrophobicContact CE1-CZ 4.41Å; Y182-F262 AromaticContact CE2-CE2 3.91Å; Y182-F262 HydrophobicContact CE2-CE2 3.91Å; Y182-F262 AromaticContact CG-CE2 3.86Å; Y182-F262 HydrophobicContact CG-CE2 3.86Å; Y182-F262 AromaticContact CG-CZ 3.84Å; Y182-F262 HydrophobicContact CG-CZ 3.84Å; N260-F262 PolarHBondContact O-N 3.42Å; F262-S264 PolarHBondContact O-N 2.88Å; F262-F267 HydrophobicContact CB-CD1 3.87Å; F262-F267 HydrophobicContact CB-CD2 4.18Å; F262-F267 HydrophobicContact CB-CE1 4.06Å; F262-F267 HydrophobicContact CB-CE2 4.34Å; F262-F267 HydrophobicContact CB-CG 3.93Å; F262-F267 HydrophobicContact CB-CZ 4.28Å; F262-F267 AromaticContact CD1-CD2 3.49Å; F262-F267 HydrophobicContact CD1-CD2 3.49Å; F262-F267 VanDerWaalsContact CD1-CD2 3.49Å; F262-F267 AromaticContact CD1-CE2 3.58Å; F262-F267 HydrophobicContact CD1-CE2 3.58Å; F262-F267 HydrophobicContact CD1-CG 4.08Å; F262-F267 HydrophobicContact CD1-CZ 4.23Å; F262-F267 HydrophobicContact CE1-CD2 4.3Å; F262-F267 HydrophobicContact CE1-CE2 4.17Å; F262-F267 HydrophobicContact CG-CD2 4.22Å; F262-F267 HydrophobicContact CG-CE2 4.17Å; F262-F267 HydrophobicContact CG-CG 4.47Å; F262-F267 HydrophobicContact CG-CZ 4.38Å; F262-F267 WeakPolarHBondContact O-CD1 3.2Å; F262-A287 HydrophobicContact CB-CB 3.57Å; F262-A287 HydrophobicContact CD2-CB 3.88Å; F262-A287 HydrophobicContact CG-CB 4.01Å; F262-L346 HydrophobicContact CD2-CD2 3.83Å; F262-L346 HydrophobicContact CE2-CD1 4.12Å; F262-L346 HydrophobicContact CE2-CD2 3.71Å; F262-L346 HydrophobicContact CE2-CG 4.27Å; F262-L346 HydrophobicContact CG-CD2 4.43Å; F262-L346 HydrophobicContact CZ-CD1 4.04Å; F262-L346 HydrophobicContact CZ-CD2 4.18Å |
| 263 | D | 92.3 | Very high | 92.5 | Very high | 116 Ų | 116 | 55.7 Ų | 55.7 | 62% | 0.62 | 27% | 0.274 | S | S | * | . | trans | -81.8 | 72.3 | 173.6 | -171.2 | 13.4 | 0 | 0 | 0 | 109.3 | N260 | N260-D263 HydrophobicContact CB-CB 3.92Å; N260-D263 PolarHBondContact O-N 3.11Å; N260-D263 VanDerWaalsContact O-N 3.11Å | ||
| 264 | S | 92 | Very high | 92.7 | Very high | 14 Ų | 14 | 55.3 Ų | 55.3 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -146.3 | 148.7 | 178.2 | 76.4 | 0 | 0 | 0 | 0 | 112.4 | F262 D266 F267 L268 | F262-S264 PolarHBondContact O-N 2.88Å; S264-D266 PolarHBondContact O-N 3.08Å; S264-F267 PolarHBondContact O-N 3.19Å; S264-F267 VanDerWaalsContact O-N 3.09Å; S264-F267 PolarHBondContact OG-N 3.04Å; S264-L268 PolarHBondContact O-N 3.36Å |
| 265 | P | 90.9 | Very high | 92.5 | Very high | 102 Ų | 102 | 51.5 Ų | 51.5 | 66% | 0.662 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -27 | 172.9 | -24.3 | 34.2 | 0 | 0 | 0 | 113.5 | L268 K269 | P265-L268 PolarHBondContact O-N 3.3Å; P265-K269 VanDerWaalsContact O-CE 3.26Å; P265-K269 WeakPolarHBondContact O-CE 3.49Å; P265-K269 WeakPolarHBondContact O-CG 3.48Å |
| 266 | D | 91.9 | Very high | 91.6 | Very high | 91 Ų | 91 | 55.1 Ų | 55.1 | 49% | 0.487 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -37.6 | 176.5 | -70.6 | -23.7 | 0 | 0 | 0 | 111.3 | S264 L268 K269 Y271 | S264-D266 PolarHBondContact O-N 3.08Å; D266-L268 VanDerWaalsContact C-N 3.34Å; D266-L268 PolarHBondContact O-N 2.8Å; D266-K269 IonicContact OD1-NZ 3.22Å; D266-Y271 PolarHBondContact O-OH 3.44Å |
| 267 | F | 94.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.009 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -34.8 | 176.4 | -175.2 | -110.3 | 0 | 0 | 0 | 112.3 | L175 F262 S264 K269 V285 A287 C478 | L175-F267 HydrophobicContact CB-CD2 4.03Å; L175-F267 HydrophobicContact CD1-CD2 4.17Å; F262-F267 HydrophobicContact CB-CD1 3.87Å; F262-F267 HydrophobicContact CB-CD2 4.18Å; F262-F267 HydrophobicContact CB-CE1 4.06Å; F262-F267 HydrophobicContact CB-CE2 4.34Å; F262-F267 HydrophobicContact CB-CG 3.93Å; F262-F267 HydrophobicContact CB-CZ 4.28Å; F262-F267 AromaticContact CD1-CD2 3.49Å; F262-F267 HydrophobicContact CD1-CD2 3.49Å; F262-F267 VanDerWaalsContact CD1-CD2 3.49Å; F262-F267 AromaticContact CD1-CE2 3.58Å; F262-F267 HydrophobicContact CD1-CE2 3.58Å; F262-F267 HydrophobicContact CD1-CG 4.08Å; F262-F267 HydrophobicContact CD1-CZ 4.23Å; F262-F267 HydrophobicContact CE1-CD2 4.3Å; F262-F267 HydrophobicContact CE1-CE2 4.17Å; F262-F267 HydrophobicContact CG-CD2 4.22Å; F262-F267 HydrophobicContact CG-CE2 4.17Å; F262-F267 HydrophobicContact CG-CG 4.47Å; F262-F267 HydrophobicContact CG-CZ 4.38Å; F262-F267 WeakPolarHBondContact O-CD1 3.2Å; S264-F267 PolarHBondContact O-N 3.19Å; S264-F267 VanDerWaalsContact O-N 3.09Å; S264-F267 PolarHBondContact OG-N 3.04Å; F267-K269 PolarHBondContact O-N 3.31Å; F267-V285 HydrophobicContact CZ-CB 4.3Å; F267-V285 HydrophobicContact CZ-CG1 4.07Å; F267-A287 HydrophobicContact CE1-CB 4.35Å; F267-C478 HydrophobicContact CD1-CB 4.14Å; F267-C478 HydrophobicContact CD2-CB 4.05Å; F267-C478 HydrophobicContact CE1-CB 3.82Å; F267-C478 HydrophobicContact CE2-CB 3.73Å; F267-C478 HydrophobicContact CG-CB 4.25Å; F267-C478 HydrophobicContact CZ-CB 3.61Å; F267-C478 WeakPolarHBondContact O-CA 3.44Å; F267-C478 WeakPolarHBondContact O-CB 3.47Å; F267-C478 PolarHBondContact O-SG 3.36Å |
| 268 | L | 92.9 | Very high | 89.6 | Confident | 51 Ų | 51 | 54.5 Ų | 54.5 | 27% | 0.267 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -84.4 | 43.2 | -171.9 | -58.1 | 176.5 | 0 | 0 | 0 | 114 | S264 P265 D266 Q476 | S264-L268 PolarHBondContact O-N 3.36Å; P265-L268 PolarHBondContact O-N 3.3Å; D266-L268 VanDerWaalsContact C-N 3.34Å; D266-L268 PolarHBondContact O-N 2.8Å; L268-Q476 HydrophobicContact CB-CG 4.49Å; L268-Q476 HydrophobicContact CD2-CB 4.29Å; L268-Q476 HydrophobicContact CD2-CG 4.39Å; L268-Q476 VanDerWaalsContact CD2-O 3.24Å; L268-Q476 WeakPolarHBondContact CD2-O 3.49Å; L268-Q476 PolarHBondContact O-NE2 2.87Å |
| 269 | K | 94.6 | Very high | 88.7 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 10% | 0.1 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 172 | -177.1 | -63.5 | -172.1 | -174 | -168.9 | 0 | 113 | P265 D266 F267 Y271 L479 E506 D507 | P265-K269 VanDerWaalsContact O-CE 3.26Å; P265-K269 WeakPolarHBondContact O-CE 3.49Å; P265-K269 WeakPolarHBondContact O-CG 3.48Å; D266-K269 IonicContact OD1-NZ 3.22Å; F267-K269 PolarHBondContact O-N 3.31Å; K269-Y271 HydrophobicContact CB-CD2 4.34Å; K269-Y271 HydrophobicContact CB-CE2 3.73Å; K269-L479 PolarHBondContact O-N 3.35Å; K269-E506 WeakPolarHBondContact CB-O 3.42Å; K269-D507 WeakPolarHBondContact CD-OD1 3.27Å; K269-D507 WeakPolarHBondContact CE-OD1 3.49Å; K269-D507 IonicContact NZ-OD1 2.83Å; K269-D507 PolarHBondContact NZ-OD1 2.71Å |
| 270 | L | 94.8 | Very high | 88.6 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 126.1 | 165.1 | 172 | 63.6 | 0 | 0 | 0 | 109.3 | L360 F361 L479 H481 Q505 E506 V508 | L270-L360 HydrophobicContact CD1-CD1 4.3Å; L270-L360 HydrophobicContact CD2-CD1 4.39Å; L270-F361 HydrophobicContact CD2-CZ 4.22Å; L270-L479 CarbonylContact C-O 3.06Å; L270-L479 WeakPolarHBondContact CA-O 3.42Å; L270-L479 HydrophobicContact CB-CB 4.3Å; L270-L479 HydrophobicContact CD1-CB 3.65Å; L270-H481 HydrophobicContact CD1-CB 4.37Å; L270-Q505 CarbonylContact O-C 3.57Å; L270-Q505 WeakPolarHBondContact O-CA 3.38Å; L270-E506 HydrophobicContact CB-CB 4.31Å; L270-E506 PolarHBondContact N-O 2.73Å; L270-E506 PolarHBondContact O-N 3.24Å; L270-V508 HydrophobicContact CB-CG2 3.45Å; L270-V508 VanDerWaalsContact CB-CG2 3.45Å |
| 271 | Y | 96 | Very high | 88.6 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 125.5 | 177.7 | -67.5 | -75.6 | 0 | 0 | 0 | 110.2 | F171 L175 D266 K269 L479 I480 H481 Y503 T504 Q505 | F171-Y271 HydrophobicContact CE1-CD1 4.42Å; F171-Y271 HydrophobicContact CE1-CD2 4.27Å; F171-Y271 AromaticContact CE1-CG 3.99Å; F171-Y271 HydrophobicContact CE1-CG 3.99Å; F171-Y271 HydrophobicContact CE2-CD1 4.41Å; F171-Y271 AromaticContact CZ-CD1 3.55Å; F171-Y271 HydrophobicContact CZ-CD1 3.55Å; F171-Y271 HydrophobicContact CZ-CD2 4.08Å; F171-Y271 HydrophobicContact CZ-CE1 4Å; F171-Y271 AromaticContact CZ-CG 3.56Å; F171-Y271 HydrophobicContact CZ-CG 3.56Å; L175-Y271 HydrophobicContact CD1-CD2 4.13Å; L175-Y271 HydrophobicContact CD1-CE2 3.68Å; L175-Y271 HydrophobicContact CD2-CE1 4.22Å; L175-Y271 HydrophobicContact CD2-CE2 4.03Å; L175-Y271 WeakPolarHBondContact CD2-OH 3.35Å; D266-Y271 PolarHBondContact O-OH 3.44Å; K269-Y271 HydrophobicContact CB-CD2 4.34Å; K269-Y271 HydrophobicContact CB-CE2 3.73Å; Y271-L479 PolarHBondContact N-O 3.06Å; Y271-I480 CarbonylContact O-C 3.55Å; Y271-I480 WeakPolarHBondContact O-CA 3.48Å; Y271-H481 PolarHBondContact O-N 2.87Å; Y271-Y503 AromaticContact CD1-CD2 3.8Å; Y271-Y503 HydrophobicContact CD1-CD2 3.8Å; Y271-Y503 HydrophobicContact CD1-CE2 4.09Å; Y271-Y503 HydrophobicContact CE1-CD2 4.19Å; Y271-Y503 AromaticContact CE1-CE2 4Å; Y271-Y503 HydrophobicContact CE1-CE2 4Å; Y271-T504 WeakPolarHBondContact CA-O 3.43Å; Y271-Q505 HydrophobicContact CD1-CB 3.65Å; Y271-Q505 HydrophobicContact CE1-CB 3.47Å; Y271-Q505 VanDerWaalsContact CE1-CB 3.47Å |
| 272 | H | 94.9 | Very high | 88.6 | Confident | 15 Ų | 15 | 46.1 Ų | 46.1 | 7% | 0.069 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 117.3 | 166.3 | -64.5 | -70 | 0 | 0 | 0 | 108 | H481 L483 L485 Y503 T504 E506 | H272-H481 CarbonylContact C-O 3.58Å; H272-H481 WeakPolarHBondContact CA-O 3.26Å; H272-H481 AromaticContact CE1-ND1 3.38Å; H272-H481 PolarHBondContact CE1-ND1 3.19Å; H272-H481 WeakPolarHBondContact ND1-CB 3.33Å; H272-H481 AromaticContact ND1-CG 3.63Å; H272-H481 AromaticContact ND1-ND1 3.13Å; H272-H481 PolarHBondContact ND1-ND1 3.26Å; H272-H481 VanDerWaalsContact ND1-ND1 3.13Å; H272-L483 HydrophobicContact CB-CD2 3.95Å; H272-L485 HydrophobicContact CB-CD2 3.8Å; H272-Y503 CarbonylContact O-C 3.56Å; H272-Y503 WeakPolarHBondContact O-CA 3.03Å; H272-Y503 VanDerWaalsContact O-CB 3.32Å; H272-Y503 WeakPolarHBondContact O-CB 3.32Å; H272-T504 WeakPolarHBondContact CB-OG1 3.26Å; H272-T504 PolarHBondContact N-O 2.62Å; H272-T504 PolarHBondContact O-N 3.02Å; H272-E506 IonicContact CD2-OE1 3.48Å; H272-E506 IonicContact NE2-OE1 3.46Å |
| 273 | V | 94.4 | Very high | 88.6 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.024 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 138 | -175.9 | -60.9 | 0 | 0 | 0 | 0 | 110.6 | F171 S275 I480 H481 S482 L483 L501 | F171-V273 HydrophobicContact CD1-CG1 4.04Å; F171-V273 HydrophobicContact CE1-CG1 3.83Å; F171-V273 HydrophobicContact CZ-CG1 4.21Å; V273-S275 PolarHBondContact O-N 3.4Å; V273-I480 HydrophobicContact CB-CG2 4.33Å; V273-I480 HydrophobicContact CG1-CG2 3.82Å; V273-I480 HydrophobicContact CG2-CG2 3.5Å; V273-I480 VanDerWaalsContact CG2-CG2 3.5Å; V273-H481 PolarHBondContact N-O 2.98Å; V273-S482 WeakPolarHBondContact CG2-OG 3.35Å; V273-S482 WeakPolarHBondContact O-CA 3.23Å; V273-L483 PolarHBondContact O-N 3.49Å; V273-L501 HydrophobicContact CB-CD2 4.1Å; V273-L501 HydrophobicContact CG1-CD2 4.12Å |
| 274 | D | 90.3 | Very high | 88.8 | Confident | 50 Ų | 50 | 41.1 Ų | 41.1 | 27% | 0.267 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 121.3 | -179.8 | -164.8 | 47.4 | 0 | 0 | 0 | 111.4 | L483 L485 L501 Q502 | D274-L483 CarbonylContact C-O 3.47Å; D274-L483 VanDerWaalsContact CA-O 3.31Å; D274-L483 WeakPolarHBondContact CA-O 3.12Å; D274-L485 HydrophobicContact CB-CD1 3.9Å; D274-L485 HydrophobicContact CB-CG 3.96Å; D274-L485 PolarHBondContact OD1-N 3.29Å; D274-L501 VanDerWaalsContact O-CD1 3.26Å; D274-L501 WeakPolarHBondContact O-CD1 3.4Å; D274-Q502 HydrophobicContact CB-CB 4.02Å; D274-Q502 PolarHBondContact N-O 2.53Å |
| 275 | S | 83 | Confident | 89.1 | Confident | 13 Ų | 13 | 40.5 Ų | 40.5 | 9% | 0.091 | 21% | 0.206 | C | C | . | . | trans | -108.1 | 136.5 | 179.9 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | V273 R277 L483 | V273-S275 PolarHBondContact O-N 3.4Å; S275-R277 VanDerWaalsContact C-N 3.25Å; S275-R277 PolarHBondContact OG-N 2.7Å; S275-L483 PolarHBondContact N-O 3.41Å | ||
| 276 | T | 72.3 | Confident | 89.3 | Confident | 93 Ų | 93 | 35.6 Ų | 35.6 | 57% | 0.571 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -76.7 | -16.5 | 172.2 | 65.5 | 0 | 0 | 0 | 0 | 112.5 | D164 | D164-T276 PolarHBondContact OD1-N 2.83Å; D164-T276 PolarHBondContact OD1-OG1 2.8Å; D164-T276 PolarHBondContact OD2-OG1 3.4Å |
| 277 | R | 68 | Low | 89.5 | Confident | 146 Ų | 146 | 32.2 Ų | 32.2 | 55% | 0.551 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -83.5 | 141.3 | 178.5 | -64.2 | 170.5 | -172.3 | -153.6 | -8.5 | 110.7 | D164 S275 K279 | D164-R277 WeakPolarHBondContact OD2-CD 3.25Å; D164-R277 WeakPolarHBondContact OD2-CG 3.26Å; D164-R277 IonicContact OD2-NE 2.73Å; D164-R277 PolarHBondContact OD2-NE 3.15Å; S275-R277 VanDerWaalsContact C-N 3.25Å; S275-R277 PolarHBondContact OG-N 2.7Å; R277-K279 PolarHBondContact O-N 3.15Å |
| 278 | N | 68.5 | Low | 89.6 | Confident | 84 Ų | 84 | 32.4 Ų | 32.4 | 45% | 0.449 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -70.8 | 15.8 | 171.1 | -80.2 | -21.2 | 0 | 0 | 0 | 114.3 | ||
| 279 | K | 75.6 | Confident | 89.6 | Confident | 75 Ų | 75 | 34.9 Ų | 34.9 | 33% | 0.326 | 18% | 0.179 | S | C | . | . | trans | -115.4 | 122.9 | -178.3 | -165.7 | 175.1 | -168 | -177.6 | 0 | 110.1 | R277 D352 | R277-K279 PolarHBondContact O-N 3.15Å; K279-D352 VanDerWaalsContact CE-CG 3.41Å; K279-D352 WeakPolarHBondContact CE-OD2 3.31Å; K279-D352 IonicContact NZ-OD1 3.52Å; K279-D352 IonicContact NZ-OD2 2.89Å; K279-D352 PolarHBondContact NZ-OD2 3.24Å | ||
| 280 | E | 88.8 | Confident | 89.5 | Confident | 54 Ų | 54 | 35.2 Ų | 35.2 | 25% | 0.252 | 19% | 0.185 | S | C | . | . | trans | -78.2 | 131.2 | 173.8 | -65.3 | -173.1 | -174.3 | 0 | 0 | 110.5 | L353 P358 H481 S482 L483 | E280-L353 HydrophobicContact CB-CB 4.28Å; E280-L353 HydrophobicContact CB-CD1 4.33Å; E280-L353 PolarHBondContact O-N 3.33Å; E280-P358 WeakPolarHBondContact OE2-CD 3.2Å; E280-H481 IonicContact OE2-NE2 3.62Å; E280-S482 VanDerWaalsContact CA-O 3.3Å; E280-S482 WeakPolarHBondContact CA-O 2.92Å; E280-L483 HydrophobicContact CG-CB 3.91Å | ||
| 281 | Q | 93.1 | Very high | 89.4 | Confident | 23 Ų | 23 | 35.8 Ų | 35.8 | 11% | 0.107 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 137.2 | 179.8 | -56.4 | -169.5 | -53 | 0 | 0 | 110.9 | I351 D352 H481 S482 | Q281-I351 WeakPolarHBondContact CA-O 3.21Å; Q281-D352 WeakPolarHBondContact CG-OD1 3.48Å; Q281-D352 PolarHBondContact NE2-OD1 3.16Å; Q281-H481 CarbonylContact O-C 3.57Å; Q281-H481 WeakPolarHBondContact O-CA 3.29Å; Q281-S482 PolarHBondContact N-O 3.45Å; Q281-S482 PolarHBondContact O-N 3.28Å |
| 282 | L | 95.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 125.5 | 167.5 | 176.7 | 63.6 | 0 | 0 | 0 | 109.5 | I351 L353 L360 I363 T364 | L282-I351 HydrophobicContact CB-CB 4.45Å; L282-I351 PolarHBondContact N-O 3.15Å; L282-I351 PolarHBondContact O-N 2.97Å; L282-L353 HydrophobicContact CB-CD1 3.97Å; L282-L353 HydrophobicContact CB-CD2 3.89Å; L282-L353 HydrophobicContact CB-CG 4.15Å; L282-L360 HydrophobicContact CD1-CD2 4.44Å; L282-L360 HydrophobicContact CD2-CD2 4.36Å; L282-I363 HydrophobicContact CD2-CB 4.45Å; L282-I363 HydrophobicContact CD2-CG2 4.13Å; L282-T364 HydrophobicContact CD2-CG2 3.88Å |
| 283 | R | 97 | Very high | 88.8 | Confident | 19 Ų | 19 | 40.9 Ų | 40.9 | 7% | 0.072 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 126.7 | 175.3 | -68 | 159.9 | 179.4 | -73.7 | -13.7 | 109.4 | V285 E331 T348 I349 C350 L479 I480 | R283-V285 HydrophobicContact CB-CG2 4.47Å; R283-E331 IonicContact CZ-OE1 2.65Å; R283-E331 VanDerWaalsContact CZ-OE1 3.26Å; R283-E331 IonicContact CZ-OE2 2.76Å; R283-E331 IonicContact NH1-OE1 3.31Å; R283-E331 PolarHBondContact NH1-OE1 3.35Å; R283-E331 IonicContact NH1-OE2 3.45Å; R283-E331 PolarHBondContact NH1-OE2 3.28Å; R283-E331 IonicContact NH2-OE1 2.66Å; R283-E331 PolarHBondContact NH2-OE1 2.98Å; R283-E331 IonicContact NH2-OE2 2.75Å; R283-T348 HydrophobicContact CB-CG2 4.02Å; R283-T348 HydrophobicContact CG-CG2 4.2Å; R283-I349 WeakPolarHBondContact CA-O 3.42Å; R283-C350 HydrophobicContact CG-CB 4.19Å; R283-L479 CarbonylContact O-C 3.17Å; R283-L479 WeakPolarHBondContact O-CA 3.46Å; R283-I480 HydrophobicContact CB-CB 4.19Å; R283-I480 PolarHBondContact N-O 3.37Å; R283-I480 PolarHBondContact O-N 3.44Å |
| 284 | M | 96.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 114 | 171.3 | -57.3 | 177.8 | 70.1 | 0 | 0 | 107.4 | W286 T348 I349 T364 V367 Y368 A477 C478 L479 | M284-W286 HydrophobicContact CB-CE3 4.3Å; M284-W286 HydrophobicContact CB-CH2 3.45Å; M284-W286 VanDerWaalsContact CB-CH2 3.45Å; M284-W286 HydrophobicContact CB-CZ2 4.35Å; M284-W286 HydrophobicContact CB-CZ3 3.42Å; M284-W286 VanDerWaalsContact CB-CZ3 3.42Å; M284-W286 HydrophobicContact CE-CH2 3.68Å; M284-W286 HydrophobicContact CE-CZ2 3.89Å; M284-W286 HydrophobicContact CG-CH2 4.36Å; M284-W286 WeakPolarHBondContact O-CZ3 3.21Å; M284-W286 HydrophobicContact SD-CH2 4.12Å; M284-T348 CarbonylContact O-C 3.5Å; M284-T348 VanDerWaalsContact O-CA 3.32Å; M284-T348 WeakPolarHBondContact O-CA 3.26Å; M284-I349 HydrophobicContact CB-CB 4.47Å; M284-I349 PolarHBondContact N-O 2.6Å; M284-I349 PolarHBondContact O-N 3.16Å; M284-T364 HydrophobicContact CE-CG2 4Å; M284-T364 HydrophobicContact CG-CG2 4.4Å; M284-T364 HydrophobicContact SD-CG2 4.01Å; M284-V367 HydrophobicContact CE-CB 4.39Å; M284-V367 HydrophobicContact CE-CG1 4.25Å; M284-V367 HydrophobicContact SD-CB 3.91Å; M284-V367 HydrophobicContact SD-CG1 3.78Å; M284-V367 HydrophobicContact SD-CG2 4.04Å; M284-Y368 HydrophobicContact CE-CD2 3.88Å; M284-Y368 HydrophobicContact CE-CE2 3.35Å; M284-A477 HydrophobicContact CB-CB 3.98Å; M284-A477 HydrophobicContact CE-CB 4.39Å; M284-C478 WeakPolarHBondContact CA-O 3.17Å; M284-L479 HydrophobicContact CB-CD2 4.33Å; M284-L479 HydrophobicContact CE-CD2 4.27Å; M284-L479 HydrophobicContact CG-CD2 3.75Å |
| 285 | V | 97.2 | Very high | 88.9 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 123.5 | -174.5 | -169.2 | 0 | 0 | 0 | 0 | 110 | F267 R283 L346 I347 T348 A477 C478 I480 | F267-V285 HydrophobicContact CZ-CB 4.3Å; F267-V285 HydrophobicContact CZ-CG1 4.07Å; R283-V285 HydrophobicContact CB-CG2 4.47Å; V285-L346 HydrophobicContact CG1-CD2 4.48Å; V285-I347 WeakPolarHBondContact CA-O 3.25Å; V285-T348 HydrophobicContact CG2-CG2 4.05Å; V285-A477 WeakPolarHBondContact O-CA 3.44Å; V285-C478 HydrophobicContact CB-CB 4.19Å; V285-C478 PolarHBondContact N-O 2.81Å; V285-C478 PolarHBondContact O-N 3.42Å; V285-I480 HydrophobicContact CG2-CD1 4.24Å |
| 286 | W | 96.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 138.8 | 172.7 | -67.5 | -98.9 | 0 | 0 | 0 | 110.3 | M284 V288 L346 I347 I349 Y368 L371 L472 Q475 A477 | M284-W286 HydrophobicContact CB-CE3 4.3Å; M284-W286 HydrophobicContact CB-CH2 3.45Å; M284-W286 VanDerWaalsContact CB-CH2 3.45Å; M284-W286 HydrophobicContact CB-CZ2 4.35Å; M284-W286 HydrophobicContact CB-CZ3 3.42Å; M284-W286 VanDerWaalsContact CB-CZ3 3.42Å; M284-W286 HydrophobicContact CE-CH2 3.68Å; M284-W286 HydrophobicContact CE-CZ2 3.89Å; M284-W286 HydrophobicContact CG-CH2 4.36Å; M284-W286 WeakPolarHBondContact O-CZ3 3.21Å; M284-W286 HydrophobicContact SD-CH2 4.12Å; W286-V288 HydrophobicContact CB-CG1 4.15Å; W286-L346 CarbonylContact O-C 3.58Å; W286-L346 VanDerWaalsContact O-CA 3.32Å; W286-L346 WeakPolarHBondContact O-CA 3.48Å; W286-I347 PolarHBondContact N-O 2.75Å; W286-I347 PolarHBondContact O-N 3.39Å; W286-I349 HydrophobicContact CH2-CD1 3.82Å; W286-I349 HydrophobicContact CH2-CG1 4.31Å; W286-I349 HydrophobicContact CZ3-CB 4.04Å; W286-I349 HydrophobicContact CZ3-CD1 3.7Å; W286-I349 HydrophobicContact CZ3-CG1 3.72Å; W286-Y368 HydrophobicContact CZ2-CE1 4.11Å; W286-Y368 AromaticContact CZ2-CZ 3.95Å; W286-L371 HydrophobicContact CH2-CD1 4.19Å; W286-L371 HydrophobicContact CZ2-CD1 4.02Å; W286-L472 HydrophobicContact CB-CD2 3.57Å; W286-L472 HydrophobicContact CD2-CD2 3.66Å; W286-L472 HydrophobicContact CE3-CD2 4.19Å; W286-L472 HydrophobicContact CG-CD2 3.38Å; W286-L472 PolarHBondContact NE1-O 3.23Å; W286-Q475 PolarHBondContact NE1-O 3.49Å; W286-A477 HydrophobicContact CD2-CB 3.85Å; W286-A477 HydrophobicContact CE3-CB 4.29Å; W286-A477 HydrophobicContact CG-CB 4.37Å; W286-A477 HydrophobicContact CH2-CB 4.17Å; W286-A477 HydrophobicContact CZ2-CB 3.72Å; W286-A477 HydrophobicContact CZ3-CB 4.43Å |
| 287 | A | 96.1 | Very high | 90.4 | Very high | 19 Ų | 19 | 40.5 Ų | 40.5 | 16% | 0.157 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 114 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | F262 F267 A345 L346 Q475 | F262-A287 HydrophobicContact CB-CB 3.57Å; F262-A287 HydrophobicContact CD2-CB 3.88Å; F262-A287 HydrophobicContact CG-CB 4.01Å; F267-A287 HydrophobicContact CE1-CB 4.35Å; A287-A345 WeakPolarHBondContact CA-O 3.44Å; A287-L346 HydrophobicContact CB-CD2 3.84Å; A287-Q475 PolarHBondContact O-NE2 3.41Å; A287-Q475 VanDerWaalsContact O-NE2 3.07Å |
| 288 | V | 95.3 | Very high | 91.6 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 166.2 | 179.6 | -57.4 | 0 | 0 | 0 | 0 | 110.1 | W286 C344 A345 I347 L468 T471 L472 | W286-V288 HydrophobicContact CB-CG1 4.15Å; V288-C344 WeakPolarHBondContact O-CA 3.37Å; V288-C344 WeakPolarHBondContact O-CB 3.43Å; V288-A345 HydrophobicContact CG2-CB 3.86Å; V288-A345 PolarHBondContact N-O 3.37Å; V288-A345 PolarHBondContact O-N 3.19Å; V288-I347 HydrophobicContact CG2-CD1 3.7Å; V288-I347 HydrophobicContact CG2-CG1 4.18Å; V288-L468 HydrophobicContact CG1-CD1 4.37Å; V288-L468 HydrophobicContact CG2-CD1 4.16Å; V288-T471 HydrophobicContact CG1-CG2 4.17Å; V288-L472 HydrophobicContact CG1-CD2 3.96Å |
| 289 | P | 93.4 | Very high | 92.8 | Very high | 102 Ų | 102 | 30.4 Ų | 30.4 | 66% | 0.662 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -51.2 | 144.9 | 173.1 | -27.9 | 36.8 | 0 | 0 | 0 | 112.1 | V291 | P289-V291 PolarHBondContact O-N 3.05Š|
| 290 | S | 92.4 | Very high | 93.7 | Very high | 31 Ų | 31 | 27 Ų | 27 | 22% | 0.217 | 15% | 0.154 | C | C | . | . | trans | -52.8 | 135.3 | -180 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | C292 S341 | S290-C292 PolarHBondContact OG-N 3.3Å; S290-C292 PolarHBondContact OG-SG 3.35Å; S290-S341 VanDerWaalsContact CB-O 3.22Å; S290-S341 WeakPolarHBondContact CB-O 3.5Å; S290-S341 PolarHBondContact OG-O 3.43Å | ||
| 291 | V | 93 | Very high | 93.9 | Very high | 13 Ų | 13 | 25.2 Ų | 25.2 | 8% | 0.079 | 15% | 0.149 | C | C | . | . | trans | -106.3 | 10.6 | 176.5 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | P289 T293 L294 P299 V300 F332 N340 A345 | P289-V291 PolarHBondContact O-N 3.05Å; V291-T293 PolarHBondContact O-N 3.41Å; V291-L294 HydrophobicContact CB-CD1 4.2Å; V291-L294 HydrophobicContact CG1-CD1 4.18Å; V291-L294 PolarHBondContact O-N 3.11Å; V291-P299 HydrophobicContact CB-CG 4.44Å; V291-P299 HydrophobicContact CG1-CG 4.25Å; V291-V300 HydrophobicContact CG2-CG2 4.1Å; V291-F332 HydrophobicContact CG2-CE1 4.39Å; V291-F332 HydrophobicContact CG2-CE2 4.38Å; V291-F332 HydrophobicContact CG2-CZ 3.61Å; V291-N340 WeakPolarHBondContact CG2-OD1 3.37Å; V291-N340 PolarHBondContact N-OD1 3.36Å; V291-A345 HydrophobicContact CG1-CB 4.33Å; V291-A345 HydrophobicContact CG2-CB 4.03Å | ||
| 292 | C | 89.2 | Confident | 93.9 | Very high | 10 Ų | 10 | 24.3 Ų | 24.3 | 7% | 0.068 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -41.3 | -178.6 | -68.9 | 0 | 0 | 0 | 0 | 112.9 | S290 L294 N340 S341 Y454 | S290-C292 PolarHBondContact OG-N 3.3Å; S290-C292 PolarHBondContact OG-SG 3.35Å; C292-L294 VanDerWaalsContact C-N 3.29Å; C292-L294 PolarHBondContact O-N 3.09Å; C292-N340 PolarHBondContact N-OD1 2.93Å; C292-N340 PolarHBondContact SG-O 3.24Å; C292-N340 PolarHBondContact SG-OD1 3Å; C292-N340 VanDerWaalsContact SG-OD1 3.36Å; C292-S341 VanDerWaalsContact SG-C 3.59Å; C292-S341 PolarHBondContact SG-O 3.05Å; C292-Y454 PolarHBondContact O-OH 3.24Å |
| 293 | T | 89.1 | Confident | 93.9 | Very high | 115 Ų | 115 | 24.4 Ų | 24.4 | 71% | 0.706 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80 | -8.7 | -178.3 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | V291 Y295 | V291-T293 PolarHBondContact O-N 3.41Å; T293-Y295 VanDerWaalsContact C-N 3.32Å; T293-Y295 PolarHBondContact O-N 3.31Å |
| 294 | L | 92.8 | Very high | 93.7 | Very high | 58 Ų | 58 | 24.8 Ų | 24.8 | 30% | 0.304 | 15% | 0.153 | S | C | . | . | trans | -98.4 | 34 | -172.2 | -53.5 | 173.9 | 0 | 0 | 0 | 111.5 | V291 C292 E296 S297 N298 P299 M464 | V291-L294 HydrophobicContact CB-CD1 4.2Å; V291-L294 HydrophobicContact CG1-CD1 4.18Å; V291-L294 PolarHBondContact O-N 3.11Å; C292-L294 VanDerWaalsContact C-N 3.29Å; C292-L294 PolarHBondContact O-N 3.09Å; L294-E296 VanDerWaalsContact C-N 3.29Å; L294-E296 PolarHBondContact O-N 3.23Å; L294-S297 PolarHBondContact O-N 3.14Å; L294-S297 PolarHBondContact O-OG 2.94Å; L294-N298 WeakPolarHBondContact O-CA 3.33Å; L294-N298 PolarHBondContact O-N 3.47Å; L294-P299 HydrophobicContact CB-CG 4.42Å; L294-P299 HydrophobicContact CD1-CG 4.42Å; L294-M464 HydrophobicContact CB-SD 4.04Å; L294-M464 HydrophobicContact CD1-CG 4.31Å; L294-M464 HydrophobicContact CD1-SD 3.67Å; L294-M464 HydrophobicContact CD2-SD 4.04Å; L294-M464 HydrophobicContact CG-SD 4.11Å | ||
| 295 | Y | 92.3 | Very high | 93.3 | Very high | 15 Ų | 15 | 26.6 Ų | 26.6 | 6% | 0.059 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -27 | -176.4 | 76.1 | -96 | 0 | 0 | 0 | 113.3 | T293 T445 L446 D449 A453 K458 | T293-Y295 VanDerWaalsContact C-N 3.32Å; T293-Y295 PolarHBondContact O-N 3.31Å; Y295-T445 HydrophobicContact CD1-CG2 4.14Å; Y295-T445 HydrophobicContact CD2-CG2 4.27Å; Y295-T445 HydrophobicContact CE1-CG2 4.34Å; Y295-T445 HydrophobicContact CE2-CG2 4.48Å; Y295-T445 HydrophobicContact CG-CG2 4.1Å; Y295-L446 WeakPolarHBondContact OH-CG 3.32Å; Y295-L446 PolarHBondContact OH-N 3.36Å; Y295-D449 HydrophobicContact CE2-CB 3.73Å; Y295-D449 PolarHBondContact OH-OD2 3.32Å; Y295-A453 HydrophobicContact CD2-CB 3.51Å; Y295-A453 HydrophobicContact CE2-CB 4.01Å; Y295-A453 HydrophobicContact CG-CB 4.17Å; Y295-K458 HydrophobicContact CE2-CD 4.36Å |
| 296 | E | 93.8 | Very high | 93.1 | Very high | 69 Ų | 69 | 26.6 Ų | 26.6 | 32% | 0.322 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -36 | 178.8 | -66.6 | -168.2 | 153.1 | 0 | 0 | 111.9 | L294 I457 K458 T459 | L294-E296 VanDerWaalsContact C-N 3.29Å; L294-E296 PolarHBondContact O-N 3.23Å; E296-I457 CarbonylContact O-C 3.59Å; E296-K458 HydrophobicContact CB-CB 4.1Å; E296-K458 HydrophobicContact CB-CD 4.38Å; E296-K458 HydrophobicContact CG-CB 4.49Å; E296-K458 HydrophobicContact CG-CD 4Å; E296-K458 WeakPolarHBondContact O-CA 3.34Å; E296-K458 PolarHBondContact O-N 3.49Å; E296-T459 PolarHBondContact O-N 3.03Å; E296-T459 VanDerWaalsContact O-N 3.09Å |
| 297 | S | 93.5 | Very high | 92.8 | Very high | 9 Ų | 9 | 26.6 Ų | 26.6 | 6% | 0.063 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -24 | -179.1 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | L294 T459 M464 Y465 | L294-S297 PolarHBondContact O-N 3.14Å; L294-S297 PolarHBondContact O-OG 2.94Å; S297-T459 VanDerWaalsContact CA-O 3.28Å; S297-T459 WeakPolarHBondContact CA-O 3.4Å; S297-T459 WeakPolarHBondContact CB-O 3.44Å; S297-M464 WeakPolarHBondContact OG-CE 3.23Å; S297-M464 PolarHBondContact OG-SD 3.26Å; S297-Y465 VanDerWaalsContact O-CE1 3.28Å; S297-Y465 WeakPolarHBondContact O-CE1 3.45Å; S297-Y465 PolarHBondContact O-OH 2.97Å |
| 298 | N | 93.4 | Very high | 91.8 | Very high | 13 Ų | 13 | 28.8 Ų | 28.8 | 7% | 0.07 | 17% | 0.174 | C | C | . | . | trans | 45 | 63 | 173.4 | -162 | -4.4 | 0 | 0 | 0 | 114.1 | L294 V300 A301 V302 Y454 I457 | L294-N298 WeakPolarHBondContact O-CA 3.33Å; L294-N298 PolarHBondContact O-N 3.47Å; N298-V300 VanDerWaalsContact C-N 3.27Å; N298-V300 PolarHBondContact O-N 2.96Å; N298-A301 HydrophobicContact CB-CB 4.21Å; N298-A301 WeakPolarHBondContact ND2-CB 3.37Å; N298-A301 PolarHBondContact O-N 3.07Å; N298-A301 VanDerWaalsContact O-N 3.13Å; N298-A301 WeakPolarHBondContact OD1-CB 3.38Å; N298-A301 PolarHBondContact OD1-N 3Å; N298-V302 PolarHBondContact O-N 2.84Å; N298-Y454 PolarHBondContact ND2-O 2.99Å; N298-I457 HydrophobicContact CB-CG1 4.3Å | ||
| 299 | P | 94.7 | Very high | 90.9 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.032 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.1 | -31.2 | -171.9 | 23.2 | -31.9 | 0 | 0 | 0 | 114 | V291 L294 V302 L303 M464 Y465 L468 | V291-P299 HydrophobicContact CB-CG 4.44Å; V291-P299 HydrophobicContact CG1-CG 4.25Å; L294-P299 HydrophobicContact CB-CG 4.42Å; L294-P299 HydrophobicContact CD1-CG 4.42Å; P299-V302 WeakPolarHBondContact O-CB 3.14Å; P299-V302 PolarHBondContact O-N 3.45Å; P299-L303 PolarHBondContact O-N 3.31Å; P299-L303 VanDerWaalsContact O-N 3.1Å; P299-M464 HydrophobicContact CB-CE 3.56Å; P299-M464 HydrophobicContact CB-SD 4.21Å; P299-M464 HydrophobicContact CG-CE 3.81Å; P299-M464 HydrophobicContact CG-SD 3.91Å; P299-Y465 HydrophobicContact CB-CD1 3.97Å; P299-Y465 HydrophobicContact CB-CE1 4.19Å; P299-L468 HydrophobicContact CB-CD2 3.77Å; P299-L468 HydrophobicContact CG-CD2 4.46Å |
| 300 | V | 94.3 | Very high | 89.8 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.024 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -74.2 | -30.9 | 179.8 | -170 | 0 | 0 | 0 | 0 | 111.5 | V291 N298 V302 L303 A304 F332 I347 L468 | V291-V300 HydrophobicContact CG2-CG2 4.1Å; N298-V300 VanDerWaalsContact C-N 3.27Å; N298-V300 PolarHBondContact O-N 2.96Å; V300-V302 VanDerWaalsContact C-N 3.29Å; V300-V302 PolarHBondContact O-N 3.01Å; V300-L303 PolarHBondContact O-N 2.97Å; V300-A304 WeakPolarHBondContact O-CB 3.36Å; V300-A304 PolarHBondContact O-N 2.87Å; V300-F332 HydrophobicContact CB-CD1 3.78Å; V300-F332 HydrophobicContact CB-CE1 3.89Å; V300-F332 HydrophobicContact CB-CG 4.23Å; V300-F332 HydrophobicContact CB-CZ 4.43Å; V300-F332 HydrophobicContact CG1-CB 3.67Å; V300-F332 HydrophobicContact CG1-CD1 3.49Å; V300-F332 VanDerWaalsContact CG1-CD1 3.49Å; V300-F332 HydrophobicContact CG1-CD2 4.14Å; V300-F332 HydrophobicContact CG1-CE1 4.09Å; V300-F332 HydrophobicContact CG1-CG 3.5Å; V300-F332 HydrophobicContact CG2-CD1 4.17Å; V300-F332 HydrophobicContact CG2-CE1 3.9Å; V300-F332 HydrophobicContact CG2-CE2 4.26Å; V300-F332 HydrophobicContact CG2-CG 4.45Å; V300-F332 HydrophobicContact CG2-CZ 3.94Å; V300-I347 HydrophobicContact CG2-CD1 3.89Å; V300-I347 HydrophobicContact CG2-CG1 4.27Å; V300-L468 HydrophobicContact CG2-CD2 4.49Å |
| 301 | A | 92.6 | Very high | 89 | Confident | 17 Ų | 17 | 29.5 Ų | 29.5 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.6 | -32.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N298 Y305 | N298-A301 HydrophobicContact CB-CB 4.21Å; N298-A301 WeakPolarHBondContact ND2-CB 3.37Å; N298-A301 PolarHBondContact O-N 3.07Å; N298-A301 VanDerWaalsContact O-N 3.13Å; N298-A301 WeakPolarHBondContact OD1-CB 3.38Å; N298-A301 PolarHBondContact OD1-N 3Å; A301-Y305 WeakPolarHBondContact O-CB 3.43Å; A301-Y305 PolarHBondContact O-N 2.93Å |
| 302 | V | 93.8 | Very high | 87.9 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.6 | -46 | 171.9 | 165.9 | 0 | 0 | 0 | 0 | 111 | N298 P299 V300 Y305 F306 F408 L412 I457 Y465 | N298-V302 PolarHBondContact O-N 2.84Å; P299-V302 WeakPolarHBondContact O-CB 3.14Å; P299-V302 PolarHBondContact O-N 3.45Å; V300-V302 VanDerWaalsContact C-N 3.29Å; V300-V302 PolarHBondContact O-N 3.01Å; V302-Y305 WeakPolarHBondContact O-CB 3.47Å; V302-Y305 PolarHBondContact O-N 3.35Å; V302-F306 HydrophobicContact CG1-CD2 4.1Å; V302-F306 HydrophobicContact CG1-CE2 3.9Å; V302-F306 VanDerWaalsContact O-CD2 3.26Å; V302-F306 WeakPolarHBondContact O-CD2 3.33Å; V302-F306 PolarHBondContact O-N 3.49Å; V302-F408 HydrophobicContact CG1-CZ 4.11Å; V302-L412 HydrophobicContact CB-CD2 4.37Å; V302-L412 HydrophobicContact CG1-CD1 4.06Å; V302-L412 HydrophobicContact CG1-CD2 3.8Å; V302-L412 HydrophobicContact CG2-CD1 4.24Å; V302-L412 HydrophobicContact CG2-CD2 3.91Å; V302-I457 HydrophobicContact CG2-CD1 3.68Å; V302-Y465 HydrophobicContact CB-CD1 4.23Å; V302-Y465 HydrophobicContact CB-CE1 4.25Å; V302-Y465 HydrophobicContact CG1-CD1 4.31Å; V302-Y465 HydrophobicContact CG1-CG 4.32Å; V302-Y465 HydrophobicContact CG2-CD1 4.11Å; V302-Y465 HydrophobicContact CG2-CE1 3.66Å; V302-Y465 HydrophobicContact CG2-CE2 4.28Å |
| 303 | L | 94.6 | Very high | 87.4 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.2 | -48.3 | 174.5 | 175.5 | 64.9 | 0 | 0 | 0 | 111.3 | P299 V300 Y305 F306 L307 I347 L371 L469 L472 | P299-L303 PolarHBondContact O-N 3.31Å; P299-L303 VanDerWaalsContact O-N 3.1Å; V300-L303 PolarHBondContact O-N 2.97Å; L303-Y305 VanDerWaalsContact C-N 3.3Å; L303-Y305 PolarHBondContact O-N 3.3Å; L303-F306 PolarHBondContact O-N 3.36Å; L303-L307 HydrophobicContact CD1-CD1 3.8Å; L303-L307 HydrophobicContact CD1-CG 3.99Å; L303-L307 HydrophobicContact CD2-CD1 4.32Å; L303-L307 HydrophobicContact CG-CD1 3.71Å; L303-L307 HydrophobicContact CG-CG 4.27Å; L303-L307 WeakPolarHBondContact O-CG 3.29Å; L303-L307 PolarHBondContact O-N 3.34Å; L303-I347 HydrophobicContact CD2-CG2 3.76Å; L303-L371 HydrophobicContact CD1-CD2 3.9Å; L303-L469 HydrophobicContact CD1-CD2 3.88Å; L303-L472 HydrophobicContact CD1-CD1 4.41Å; L303-L472 HydrophobicContact CD2-CD1 3.55Å |
| 304 | A | 92.6 | Very high | 87.3 | Confident | 28 Ų | 28 | 31.2 Ų | 31.2 | 23% | 0.231 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.6 | -39.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V300 L307 S308 C330 | V300-A304 WeakPolarHBondContact O-CB 3.36Å; V300-A304 PolarHBondContact O-N 2.87Å; A304-L307 PolarHBondContact O-N 3.28Å; A304-S308 WeakPolarHBondContact O-CB 3.34Å; A304-S308 PolarHBondContact O-N 3.27Å; A304-S308 PolarHBondContact O-OG 3.26Å; A304-C330 HydrophobicContact CB-CB 3.72Å |
| 305 | Y | 89.9 | Confident | 87.2 | Confident | 38 Ų | 38 | 28.4 Ų | 28.4 | 15% | 0.149 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.7 | -50.6 | 175.4 | 167.6 | -108.8 | 0 | 0 | 0 | 111.8 | A301 V302 L303 D309 C411 L412 Y415 | A301-Y305 WeakPolarHBondContact O-CB 3.43Å; A301-Y305 PolarHBondContact O-N 2.93Å; V302-Y305 WeakPolarHBondContact O-CB 3.47Å; V302-Y305 PolarHBondContact O-N 3.35Å; L303-Y305 VanDerWaalsContact C-N 3.3Å; L303-Y305 PolarHBondContact O-N 3.3Å; Y305-D309 WeakPolarHBondContact O-CB 3.15Å; Y305-D309 PolarHBondContact O-N 3.08Å; Y305-C411 HydrophobicContact CE1-CB 4.27Å; Y305-L412 HydrophobicContact CD1-CD2 4.36Å; Y305-Y415 HydrophobicContact CD1-CD1 4.25Å; Y305-Y415 HydrophobicContact CD1-CG 4.33Å; Y305-Y415 HydrophobicContact CD2-CD1 4.22Å; Y305-Y415 AromaticContact CD2-CD2 3.56Å; Y305-Y415 HydrophobicContact CD2-CD2 3.56Å; Y305-Y415 HydrophobicContact CD2-CE1 4.33Å; Y305-Y415 AromaticContact CD2-CE2 3.73Å; Y305-Y415 HydrophobicContact CD2-CE2 3.73Å; Y305-Y415 AromaticContact CD2-CG 3.82Å; Y305-Y415 HydrophobicContact CD2-CG 3.82Å; Y305-Y415 AromaticContact CE2-CD2 3.89Å; Y305-Y415 HydrophobicContact CE2-CD2 3.89Å; Y305-Y415 HydrophobicContact CE2-CE2 4.46Å; Y305-Y415 HydrophobicContact CE2-CG 4.1Å; Y305-Y415 AromaticContact CG-CD1 3.9Å; Y305-Y415 HydrophobicContact CG-CD1 3.9Å; Y305-Y415 HydrophobicContact CG-CD2 4.1Å; Y305-Y415 AromaticContact CG-CE1 3.97Å; Y305-Y415 HydrophobicContact CG-CE1 3.97Å; Y305-Y415 HydrophobicContact CG-CE2 4.21Å; Y305-Y415 AromaticContact CG-CG 3.95Å; Y305-Y415 HydrophobicContact CG-CG 3.95Å |
| 306 | F | 91.8 | Very high | 87 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -71.9 | -33.8 | 180 | -70.8 | -66.7 | 0 | 0 | 0 | 113.3 | V302 L303 Y370 L374 F408 C411 L412 L527 P528 | V302-F306 HydrophobicContact CG1-CD2 4.1Å; V302-F306 HydrophobicContact CG1-CE2 3.9Å; V302-F306 VanDerWaalsContact O-CD2 3.26Å; V302-F306 WeakPolarHBondContact O-CD2 3.33Å; V302-F306 PolarHBondContact O-N 3.49Å; L303-F306 PolarHBondContact O-N 3.36Å; F306-Y370 PolarHBondContact O-OH 3.27Å; F306-L374 HydrophobicContact CB-CD1 3.7Å; F306-L374 HydrophobicContact CB-CD2 4.08Å; F306-L374 HydrophobicContact CD1-CD2 4.06Å; F306-L374 HydrophobicContact CD2-CD2 4.35Å; F306-L374 HydrophobicContact CG-CD1 4.25Å; F306-L374 HydrophobicContact CG-CD2 3.91Å; F306-F408 AromaticContact CD2-CE2 3.95Å; F306-F408 HydrophobicContact CD2-CE2 3.95Å; F306-F408 HydrophobicContact CD2-CZ 4.36Å; F306-F408 AromaticContact CE2-CD2 3.84Å; F306-F408 HydrophobicContact CE2-CD2 3.84Å; F306-F408 HydrophobicContact CE2-CE1 4.4Å; F306-F408 AromaticContact CE2-CE2 3.21Å; F306-F408 HydrophobicContact CE2-CE2 3.21Å; F306-F408 AromaticContact CE2-CZ 3.54Å; F306-F408 HydrophobicContact CE2-CZ 3.54Å; F306-F408 AromaticContact CZ-CD2 3.69Å; F306-F408 HydrophobicContact CZ-CD2 3.69Å; F306-F408 AromaticContact CZ-CE2 3.58Å; F306-F408 HydrophobicContact CZ-CE2 3.58Å; F306-F408 HydrophobicContact CZ-CG 4.36Å; F306-F408 HydrophobicContact CZ-CZ 4.17Å; F306-C411 HydrophobicContact CE1-CB 4.11Å; F306-C411 HydrophobicContact CZ-CB 4.11Å; F306-L412 HydrophobicContact CE2-CD2 3.76Å; F306-L412 HydrophobicContact CE2-CG 4.37Å; F306-L412 HydrophobicContact CZ-CD2 4Å; F306-L412 HydrophobicContact CZ-CG 4.4Å; F306-L527 HydrophobicContact CD1-CD2 4.36Å; F306-L527 HydrophobicContact CE1-CD2 3.87Å; F306-P528 HydrophobicContact CD1-CG 4.26Å; F306-P528 HydrophobicContact CE1-CG 4.28Å |
| 307 | L | 89.5 | Confident | 86.5 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.7 | -36.2 | 178.5 | -71.1 | 175 | 0 | 0 | 0 | 113.4 | L303 A304 D309 L315 C330 I349 Y370 | L303-L307 HydrophobicContact CD1-CD1 3.8Å; L303-L307 HydrophobicContact CD1-CG 3.99Å; L303-L307 HydrophobicContact CD2-CD1 4.32Å; L303-L307 HydrophobicContact CG-CD1 3.71Å; L303-L307 HydrophobicContact CG-CG 4.27Å; L303-L307 WeakPolarHBondContact O-CG 3.29Å; L303-L307 PolarHBondContact O-N 3.34Å; A304-L307 PolarHBondContact O-N 3.28Å; L307-D309 VanDerWaalsContact C-N 3.35Å; L307-L315 HydrophobicContact CD2-CD2 3.66Å; L307-C330 HydrophobicContact CD1-CB 4.04Å; L307-I349 HydrophobicContact CD1-CD1 3.66Å; L307-I349 HydrophobicContact CD1-CG1 3.71Å; L307-I349 HydrophobicContact CD2-CD1 4.11Å; L307-Y370 HydrophobicContact CD2-CD1 4.14Å; L307-Y370 HydrophobicContact CD2-CE1 4.17Å |
| 308 | S | 76 | Confident | 86.2 | Confident | 64 Ų | 64 | 29.1 Ų | 29.1 | 45% | 0.448 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -90.7 | 1 | -178.4 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | A304 | A304-S308 WeakPolarHBondContact O-CB 3.34Å; A304-S308 PolarHBondContact O-N 3.27Å; A304-S308 PolarHBondContact O-OG 3.26Å |
| 309 | D | 76.8 | Confident | 86 | Confident | 29 Ų | 29 | 28.5 Ų | 28.5 | 16% | 0.155 | 14% | 0.144 | C | C | . | . | trans | -69.4 | 133.3 | 178.8 | 177.5 | 70.8 | 0 | 0 | 0 | 111.5 | Y305 L307 H311 P528 | Y305-D309 WeakPolarHBondContact O-CB 3.15Å; Y305-D309 PolarHBondContact O-N 3.08Å; L307-D309 VanDerWaalsContact C-N 3.35Å; D309-H311 VanDerWaalsContact C-N 3.34Å; D309-H311 WeakPolarHBondContact OD2-CB 3.37Å; D309-H311 PolarHBondContact OD2-N 3.42Å; D309-P528 HydrophobicContact CB-CG 4.28Å | ||
| 310 | K | 70.1 | Confident | 85.4 | Confident | 113 Ų | 113 | 29.9 Ų | 29.9 | 49% | 0.491 | 15% | 0.149 | S | C | . | . | trans | -95.3 | 15.6 | -175.2 | -63.4 | -176.2 | 179.5 | 178.1 | 0 | 112.9 | T620 | K310-T620 HydrophobicContact CB-CG2 3.95Š| ||
| 311 | H | 74.6 | Confident | 84.9 | Confident | 13 Ų | 13 | 33.8 Ų | 33.8 | 6% | 0.06 | 17% | 0.17 | C | C | . | . | trans | -57.3 | 144 | 179.2 | -176.1 | -106.1 | 0 | 0 | 0 | 111 | D309 Y313 G314 N317 S526 | D309-H311 VanDerWaalsContact C-N 3.34Å; D309-H311 WeakPolarHBondContact OD2-CB 3.37Å; D309-H311 PolarHBondContact OD2-N 3.42Å; H311-Y313 AromaticContact CE1-CD2 3.67Å; H311-Y313 PolarHBondContact ND1-N 2.9Å; H311-Y313 PolarHBondContact O-N 2.94Å; H311-G314 PolarHBondContact O-N 3.33Å; H311-N317 VanDerWaalsContact O-CB 3.25Å; H311-N317 WeakPolarHBondContact O-CB 3.43Å; H311-S526 PolarHBondContact CE1-OG 2.9Å; H311-S526 VanDerWaalsContact CE1-OG 3.25Å | ||
| 312 | P | 70.3 | Confident | 84.4 | Confident | 40 Ų | 40 | 36.3 Ų | 36.3 | 26% | 0.26 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -25 | -178.1 | -31.7 | 37.1 | 0 | 0 | 0 | 115.2 | N317 | P312-N317 VanDerWaalsContact C-ND2 3.35Å; P312-N317 VanDerWaalsContact CA-ND2 3.31Å; P312-N317 WeakPolarHBondContact CA-ND2 3.18Å; P312-N317 PolarHBondContact O-ND2 2.93Å |
| 313 | Y | 79.7 | Confident | 83.8 | Confident | 134 Ų | 134 | 41.5 Ų | 41.5 | 53% | 0.525 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 21.7 | 178.5 | -55.8 | -77.2 | 0 | 0 | 0 | 112.9 | H311 F525 S526 | H311-Y313 AromaticContact CE1-CD2 3.67Å; H311-Y313 PolarHBondContact ND1-N 2.9Å; H311-Y313 PolarHBondContact O-N 2.94Å; Y313-F525 WeakPolarHBondContact O-CA 3.01Å; Y313-S526 WeakPolarHBondContact CB-OG 3.09Å; Y313-S526 PolarHBondContact O-N 3.44Å |
| 314 | G | 86.2 | Confident | 83.4 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -82.7 | 170.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | H311 Y318 | H311-G314 PolarHBondContact O-N 3.33Å; G314-Y318 WeakPolarHBondContact O-CB 3.48Å; G314-Y318 PolarHBondContact O-N 3.37Å |
| 315 | L | 91.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.9 | -52.2 | -177.5 | 175.9 | 61.8 | 0 | 0 | 0 | 112.5 | L307 N317 Y318 L319 V328 I366 V367 Y370 F525 | L307-L315 HydrophobicContact CD2-CD2 3.66Å; L315-N317 PolarHBondContact O-N 2.85Å; L315-Y318 PolarHBondContact O-N 3.3Å; L315-L319 HydrophobicContact CD1-CD1 3.9Å; L315-L319 HydrophobicContact CD1-CG 4.13Å; L315-L319 HydrophobicContact CG-CD1 4.13Å; L315-L319 WeakPolarHBondContact O-CG 3.47Å; L315-L319 PolarHBondContact O-N 3.25Å; L315-V328 HydrophobicContact CD2-CG1 4.17Å; L315-I366 HydrophobicContact CD1-CG2 3.8Å; L315-V367 HydrophobicContact CD1-CG2 4.41Å; L315-V367 HydrophobicContact CD2-CG2 4.32Å; L315-Y370 HydrophobicContact CB-CD1 3.77Å; L315-Y370 HydrophobicContact CB-CD2 3.96Å; L315-Y370 HydrophobicContact CB-CE1 3.92Å; L315-Y370 HydrophobicContact CB-CE2 4.13Å; L315-Y370 HydrophobicContact CB-CG 3.78Å; L315-Y370 HydrophobicContact CD1-CG 4.37Å; L315-Y370 HydrophobicContact CD2-CD1 3.84Å; L315-Y370 HydrophobicContact CD2-CE1 4.46Å; L315-Y370 HydrophobicContact CD2-CG 4.24Å; L315-Y370 HydrophobicContact CG-CD1 4.33Å; L315-Y370 HydrophobicContact CG-CG 4.35Å; L315-F525 HydrophobicContact CD1-CE1 4.45Å; L315-F525 HydrophobicContact CD1-CZ 4.25Å |
| 316 | E | 88.2 | Confident | 82.7 | Confident | 20 Ų | 20 | 40.9 Ų | 40.9 | 9% | 0.093 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60 | -47.9 | -178.2 | -179.2 | 172.8 | 124.7 | 0 | 0 | 110.9 | Y318 L319 K320 V328 | E316-Y318 VanDerWaalsContact C-N 3.34Å; E316-Y318 PolarHBondContact O-N 3.25Å; E316-L319 PolarHBondContact O-N 3.44Å; E316-K320 VanDerWaalsContact O-CB 3.28Å; E316-K320 WeakPolarHBondContact O-CB 3.31Å; E316-K320 PolarHBondContact O-N 2.85Å; E316-V328 HydrophobicContact CB-CB 4.23Å; E316-V328 HydrophobicContact CB-CG2 4.08Å; E316-V328 HydrophobicContact CG-CG2 4.31Å; E316-V328 PolarHBondContact OE2-N 2.97Å |
| 317 | N | 83.4 | Confident | 82.4 | Confident | 25 Ų | 25 | 44.2 Ų | 44.2 | 13% | 0.134 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.6 | -41.2 | -178.8 | -165.7 | 66.8 | 0 | 0 | 0 | 112 | H311 P312 L315 K320 N321 | H311-N317 VanDerWaalsContact O-CB 3.25Å; H311-N317 WeakPolarHBondContact O-CB 3.43Å; P312-N317 VanDerWaalsContact C-ND2 3.35Å; P312-N317 VanDerWaalsContact CA-ND2 3.31Å; P312-N317 WeakPolarHBondContact CA-ND2 3.18Å; P312-N317 PolarHBondContact O-ND2 2.93Å; L315-N317 PolarHBondContact O-N 2.85Å; N317-K320 PolarHBondContact O-N 3.13Å; N317-N321 PolarHBondContact ND2-ND2 3.33Å; N317-N321 VanDerWaalsContact ND2-ND2 3.13Å; N317-N321 WeakPolarHBondContact O-CB 3.09Å; N317-N321 PolarHBondContact O-N 3.47Å |
| 318 | Y | 87.2 | Confident | 82.5 | Confident | 62 Ų | 62 | 44.3 Ų | 44.3 | 24% | 0.243 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.6 | -47.9 | 175.8 | -176.7 | -94.5 | 0 | 0 | 0 | 111.9 | G314 L315 E316 K320 N321 N322 I366 V523 F525 | G314-Y318 WeakPolarHBondContact O-CB 3.48Å; G314-Y318 PolarHBondContact O-N 3.37Å; L315-Y318 PolarHBondContact O-N 3.3Å; E316-Y318 VanDerWaalsContact C-N 3.34Å; E316-Y318 PolarHBondContact O-N 3.25Å; Y318-K320 VanDerWaalsContact C-N 3.28Å; Y318-K320 PolarHBondContact O-N 2.91Å; Y318-N321 PolarHBondContact O-N 2.85Å; Y318-N322 VanDerWaalsContact CE2-ND2 3.34Å; Y318-N322 WeakPolarHBondContact CE2-ND2 3.49Å; Y318-N322 WeakPolarHBondContact O-CB 3.42Å; Y318-N322 PolarHBondContact O-N 3.42Å; Y318-N322 VanDerWaalsContact O-N 3.09Å; Y318-N322 PolarHBondContact O-ND2 2.97Å; Y318-I366 HydrophobicContact CD1-CG2 3.99Å; Y318-I366 HydrophobicContact CE1-CD1 3.99Å; Y318-I366 HydrophobicContact CE1-CG1 4.41Å; Y318-I366 HydrophobicContact CE1-CG2 4.22Å; Y318-V523 HydrophobicContact CD1-CG1 3.94Å; Y318-V523 HydrophobicContact CD1-CG2 4.42Å; Y318-V523 HydrophobicContact CD2-CG1 3.45Å; Y318-V523 VanDerWaalsContact CD2-CG1 3.45Å; Y318-V523 HydrophobicContact CE1-CB 4.49Å; Y318-V523 HydrophobicContact CE1-CG1 3.92Å; Y318-V523 HydrophobicContact CE1-CG2 3.71Å; Y318-V523 HydrophobicContact CE2-CB 4.37Å; Y318-V523 HydrophobicContact CE2-CG1 3.43Å; Y318-V523 VanDerWaalsContact CE2-CG1 3.43Å; Y318-V523 HydrophobicContact CE2-CG2 4.19Å; Y318-V523 HydrophobicContact CG-CG1 3.71Å; Y318-F525 HydrophobicContact CG-CE1 4.42Å |
| 319 | L | 88.6 | Confident | 83.2 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.4 | -36.7 | 178.8 | -68.8 | 175.3 | 0 | 0 | 0 | 111.9 | L315 E316 H323 L324 A325 V328 I351 I363 I366 | L315-L319 HydrophobicContact CD1-CD1 3.9Å; L315-L319 HydrophobicContact CD1-CG 4.13Å; L315-L319 HydrophobicContact CG-CD1 4.13Å; L315-L319 WeakPolarHBondContact O-CG 3.47Å; L315-L319 PolarHBondContact O-N 3.25Å; E316-L319 PolarHBondContact O-N 3.44Å; L319-H323 PolarHBondContact O-N 3.27Å; L319-L324 HydrophobicContact CD2-CB 4.11Å; L319-L324 HydrophobicContact CD2-CD1 3.92Å; L319-L324 PolarHBondContact O-N 3.47Å; L319-A325 HydrophobicContact CB-CB 3.9Å; L319-A325 HydrophobicContact CD1-CB 4.26Å; L319-A325 PolarHBondContact O-N 2.74Å; L319-V328 HydrophobicContact CD1-CG2 3.77Å; L319-I351 HydrophobicContact CD1-CG2 4.48Å; L319-I363 HydrophobicContact CD2-CG2 4.42Å; L319-I366 HydrophobicContact CD2-CB 4.29Å; L319-I366 HydrophobicContact CD2-CD1 3.94Å; L319-I366 HydrophobicContact CD2-CG2 3.89Å; L319-I366 HydrophobicContact CG-CG2 4.47Å |
| 320 | K | 83.5 | Confident | 84.1 | Confident | 33 Ų | 33 | 45.1 Ų | 45.1 | 14% | 0.143 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.4 | -48 | 178.4 | -166.2 | 178.6 | -169.6 | 177 | 0 | 112.3 | E316 N317 Y318 N322 H323 A325 N615 | E316-K320 VanDerWaalsContact O-CB 3.28Å; E316-K320 WeakPolarHBondContact O-CB 3.31Å; E316-K320 PolarHBondContact O-N 2.85Å; N317-K320 PolarHBondContact O-N 3.13Å; Y318-K320 VanDerWaalsContact C-N 3.28Å; Y318-K320 PolarHBondContact O-N 2.91Å; K320-N322 PolarHBondContact O-N 3.45Å; K320-H323 PolarHBondContact O-N 2.84Å; K320-A325 WeakPolarHBondContact CA-O 3.38Å; K320-N615 VanDerWaalsContact CE-OD1 3.23Å; K320-N615 WeakPolarHBondContact CE-OD1 3.38Å; K320-N615 PolarHBondContact NZ-OD1 3.4Å |
| 321 | N | 82.5 | Confident | 85.1 | Confident | 87 Ų | 87 | 43.1 Ų | 43.1 | 47% | 0.465 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.2 | -26.1 | 179 | -76.3 | -6.1 | 0 | 0 | 0 | 112.9 | N317 Y318 H323 | N317-N321 PolarHBondContact ND2-ND2 3.33Å; N317-N321 VanDerWaalsContact ND2-ND2 3.13Å; N317-N321 WeakPolarHBondContact O-CB 3.09Å; N317-N321 PolarHBondContact O-N 3.47Å; Y318-N321 PolarHBondContact O-N 2.85Å; N321-H323 VanDerWaalsContact C-N 3.33Å |
| 322 | N | 83.2 | Confident | 86 | Confident | 69 Ų | 69 | 44.5 Ų | 44.5 | 37% | 0.369 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 9.1 | 173.4 | -71.5 | -85.9 | 0 | 0 | 0 | 113.4 | Y318 K320 L324 | Y318-N322 VanDerWaalsContact CE2-ND2 3.34Å; Y318-N322 WeakPolarHBondContact CE2-ND2 3.49Å; Y318-N322 WeakPolarHBondContact O-CB 3.42Å; Y318-N322 PolarHBondContact O-N 3.42Å; Y318-N322 VanDerWaalsContact O-N 3.09Å; Y318-N322 PolarHBondContact O-ND2 2.97Å; K320-N322 PolarHBondContact O-N 3.45Å; N322-L324 HydrophobicContact CB-CD1 4.13Å; N322-L324 HydrophobicContact CB-CG 4.1Å; N322-L324 PolarHBondContact O-N 3.45Å |
| 323 | H | 81.1 | Confident | 86.9 | Confident | 113 Ų | 113 | 44.9 Ų | 44.9 | 52% | 0.523 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 29.5 | 179.4 | -50.5 | -61.7 | 0 | 0 | 0 | 114.6 | L319 K320 N321 N354 | L319-H323 PolarHBondContact O-N 3.27Å; K320-H323 PolarHBondContact O-N 2.84Å; N321-H323 VanDerWaalsContact C-N 3.33Å; H323-N354 VanDerWaalsContact O-CB 3.24Å; H323-N354 WeakPolarHBondContact O-CB 3.47Å |
| 324 | L | 85.1 | Confident | 87.1 | Confident | 23 Ų | 23 | 39.4 Ų | 39.4 | 12% | 0.12 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -92 | -37.7 | -179.8 | -63 | 175.8 | 0 | 0 | 0 | 112.1 | L319 N322 N354 I363 I366 | L319-L324 HydrophobicContact CD2-CB 4.11Å; L319-L324 HydrophobicContact CD2-CD1 3.92Å; L319-L324 PolarHBondContact O-N 3.47Å; N322-L324 HydrophobicContact CB-CD1 4.13Å; N322-L324 HydrophobicContact CB-CG 4.1Å; N322-L324 PolarHBondContact O-N 3.45Å; L324-N354 PolarHBondContact O-N 3.01Å; L324-I363 HydrophobicContact CB-CD1 4.15Å; L324-I363 HydrophobicContact CB-CG1 4.05Å; L324-I363 HydrophobicContact CD1-CG1 4.42Å; L324-I366 HydrophobicContact CD1-CD1 3.6Å |
| 325 | A | 86.8 | Confident | 86.9 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 168.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L319 K320 I351 D352 N354 | L319-A325 HydrophobicContact CB-CB 3.9Å; L319-A325 HydrophobicContact CD1-CB 4.26Å; L319-A325 PolarHBondContact O-N 2.74Å; K320-A325 WeakPolarHBondContact CA-O 3.38Å; A325-I351 HydrophobicContact CB-CG2 3.39Å; A325-D352 CarbonylContact C-O 3.55Å; A325-D352 VanDerWaalsContact CA-O 3.24Å; A325-D352 WeakPolarHBondContact CA-O 2.99Å; A325-D352 WeakPolarHBondContact CB-O 3.44Å; A325-N354 PolarHBondContact O-ND2 3.06Å |
| 326 | T | 81.9 | Confident | 86.8 | Confident | 30 Ų | 30 | 43.2 Ų | 43.2 | 18% | 0.184 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | -31.9 | 175.2 | 51.4 | 0 | 0 | 0 | 0 | 112.9 | D352 N354 | T326-D352 PolarHBondContact N-O 2.71Å; T326-D352 WeakPolarHBondContact OG1-CB 3.28Å; T326-D352 PolarHBondContact OG1-O 3.13Å; T326-D352 VanDerWaalsContact OG1-O 3.13Å; T326-N354 VanDerWaalsContact CG2-CG 3.49Å; T326-N354 WeakPolarHBondContact CG2-ND2 3.38Å; T326-N354 WeakPolarHBondContact CG2-OD1 3.34Å |
| 327 | E | 85.2 | Confident | 87 | Confident | 72 Ų | 72 | 43 Ų | 43 | 34% | 0.336 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 144.9 | -172.1 | -160.5 | 173.2 | -175.8 | 0 | 0 | 109.9 | K329 D352 | E327-K329 HydrophobicContact CG-CG 4.38Å; E327-K329 WeakPolarHBondContact OE1-CE 3.3Å; E327-K329 IonicContact OE1-NZ 3.68Å; E327-K329 PolarHBondContact OE1-NZ 3.03Å; E327-K329 WeakPolarHBondContact OE2-CE 3.46Å; E327-K329 IonicContact OE2-NZ 3.84Å; E327-K329 PolarHBondContact OE2-NZ 3.33Å; E327-D352 HydrophobicContact CB-CB 4.16Å; E327-D352 PolarHBondContact O-N 3.07Å |
| 328 | V | 91.3 | Very high | 87.6 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 129.4 | 175.9 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | L315 E316 L319 I349 I351 | L315-V328 HydrophobicContact CD2-CG1 4.17Å; E316-V328 HydrophobicContact CB-CB 4.23Å; E316-V328 HydrophobicContact CB-CG2 4.08Å; E316-V328 HydrophobicContact CG-CG2 4.31Å; E316-V328 PolarHBondContact OE2-N 2.97Å; L319-V328 HydrophobicContact CD1-CG2 3.77Å; V328-I349 HydrophobicContact CG1-CG2 3.98Å; V328-I351 HydrophobicContact CG1-CG1 4.4Å; V328-I351 HydrophobicContact CG2-CG1 4.46Å; V328-I351 HydrophobicContact CG2-CG2 4.45Å |
| 329 | K | 91.6 | Very high | 87.9 | Confident | 81 Ų | 81 | 40.1 Ų | 40.1 | 35% | 0.352 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 144 | -177.4 | -61.8 | 176.4 | -174.6 | 163.7 | 0 | 111.3 | E327 I349 C350 | E327-K329 HydrophobicContact CG-CG 4.38Å; E327-K329 WeakPolarHBondContact OE1-CE 3.3Å; E327-K329 IonicContact OE1-NZ 3.68Å; E327-K329 PolarHBondContact OE1-NZ 3.03Å; E327-K329 WeakPolarHBondContact OE2-CE 3.46Å; E327-K329 IonicContact OE2-NZ 3.84Å; E327-K329 PolarHBondContact OE2-NZ 3.33Å; K329-I349 CarbonylContact O-C 3.54Å; K329-I349 WeakPolarHBondContact O-CA 3.42Å; K329-C350 PolarHBondContact N-O 3.26Å; K329-C350 PolarHBondContact O-N 2.92Å |
| 330 | C | 93.9 | Very high | 88.1 | Confident | 28 Ų | 28 | 40.3 Ų | 40.3 | 19% | 0.189 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 109.2 | 160 | -169 | 0 | 0 | 0 | 0 | 108.3 | A304 L307 F332 T348 | A304-C330 HydrophobicContact CB-CB 3.72Å; L307-C330 HydrophobicContact CD1-CB 4.04Å; C330-F332 PolarHBondContact O-N 3.15Å; C330-T348 CarbonylContact C-O 3.59Å; C330-T348 WeakPolarHBondContact CA-O 3.28Å |
| 331 | E | 93 | Very high | 88.7 | Confident | 71 Ų | 71 | 38.7 Ų | 38.7 | 33% | 0.332 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 97.6 | 171.1 | -71.3 | -167.4 | -161.9 | 0 | 0 | 109.2 | R283 T348 C350 | R283-E331 IonicContact CZ-OE1 2.65Å; R283-E331 VanDerWaalsContact CZ-OE1 3.26Å; R283-E331 IonicContact CZ-OE2 2.76Å; R283-E331 IonicContact NH1-OE1 3.31Å; R283-E331 PolarHBondContact NH1-OE1 3.35Å; R283-E331 IonicContact NH1-OE2 3.45Å; R283-E331 PolarHBondContact NH1-OE2 3.28Å; R283-E331 IonicContact NH2-OE1 2.66Å; R283-E331 PolarHBondContact NH2-OE1 2.98Å; R283-E331 IonicContact NH2-OE2 2.75Å; E331-T348 HydrophobicContact CB-CG2 4.27Å; E331-T348 PolarHBondContact N-O 2.86Å; E331-T348 PolarHBondContact O-N 3.42Å; E331-C350 HydrophobicContact CG-CB 4Å; E331-C350 WeakPolarHBondContact OE1-CB 3.27Å |
| 332 | F | 92.5 | Very high | 89.1 | Confident | 42 Ų | 42 | 37.3 Ų | 37.3 | 18% | 0.184 | 20% | 0.196 | C | C | . | . | trans | -150.6 | 135.1 | 175.3 | -178.6 | -96.5 | 0 | 0 | 0 | 109.2 | V291 V300 C330 A334 D339 N340 A345 I347 | V291-F332 HydrophobicContact CG2-CE1 4.39Å; V291-F332 HydrophobicContact CG2-CE2 4.38Å; V291-F332 HydrophobicContact CG2-CZ 3.61Å; V300-F332 HydrophobicContact CB-CD1 3.78Å; V300-F332 HydrophobicContact CB-CE1 3.89Å; V300-F332 HydrophobicContact CB-CG 4.23Å; V300-F332 HydrophobicContact CB-CZ 4.43Å; V300-F332 HydrophobicContact CG1-CB 3.67Å; V300-F332 HydrophobicContact CG1-CD1 3.49Å; V300-F332 VanDerWaalsContact CG1-CD1 3.49Å; V300-F332 HydrophobicContact CG1-CD2 4.14Å; V300-F332 HydrophobicContact CG1-CE1 4.09Å; V300-F332 HydrophobicContact CG1-CG 3.5Å; V300-F332 HydrophobicContact CG2-CD1 4.17Å; V300-F332 HydrophobicContact CG2-CE1 3.9Å; V300-F332 HydrophobicContact CG2-CE2 4.26Å; V300-F332 HydrophobicContact CG2-CG 4.45Å; V300-F332 HydrophobicContact CG2-CZ 3.94Å; C330-F332 PolarHBondContact O-N 3.15Å; F332-A334 HydrophobicContact CE1-CB 4.14Å; F332-D339 HydrophobicContact CD2-CB 4.05Å; F332-D339 HydrophobicContact CE2-CB 4.31Å; F332-D339 WeakPolarHBondContact CE2-O 3.17Å; F332-N340 HydrophobicContact CE1-CB 4.44Å; F332-N340 HydrophobicContact CE2-CB 3.96Å; F332-N340 HydrophobicContact CZ-CB 3.58Å; F332-A345 HydrophobicContact CE2-CB 4.12Å; F332-I347 HydrophobicContact CD2-CG1 4.25Å; F332-I347 HydrophobicContact CE2-CG1 4.45Å | ||
| 333 | S | 89 | Confident | 89.7 | Confident | 49 Ų | 49 | 34.1 Ų | 34.1 | 34% | 0.343 | 18% | 0.179 | S | C | . | . | trans | -124.8 | 114.6 | 172.4 | 177.6 | 0 | 0 | 0 | 0 | 109.2 | M335 S336 | S333-M335 PolarHBondContact O-N 3.49Å; S333-S336 WeakPolarHBondContact O-CB 3.34Å; S333-S336 PolarHBondContact O-N 3.47Å | ||
| 334 | A | 83.6 | Confident | 90.4 | Very high | 18 Ų | 18 | 28.9 Ų | 28.9 | 15% | 0.149 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -22.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F332 N340 Y454 | F332-A334 HydrophobicContact CE1-CB 4.14Å; A334-N340 PolarHBondContact O-ND2 2.85Å; A334-Y454 HydrophobicContact CB-CD1 3.47Å; A334-Y454 VanDerWaalsContact CB-CD1 3.47Å; A334-Y454 HydrophobicContact CB-CD2 4.33Å; A334-Y454 HydrophobicContact CB-CE1 3.8Å; A334-Y454 HydrophobicContact CB-CG 3.75Å |
| 335 | M | 81.5 | Confident | 90.9 | Very high | 65 Ų | 65 | 27.8 Ų | 27.8 | 32% | 0.32 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -7.5 | -178.9 | -48.2 | -69.6 | 86.2 | 0 | 0 | 113.3 | S333 W437 M441 Y454 | S333-M335 PolarHBondContact O-N 3.49Å; M335-W437 HydrophobicContact CG-CH2 4.46Å; M335-W437 HydrophobicContact CG-CZ3 4.26Å; M335-W437 HydrophobicContact SD-CH2 3.78Å; M335-W437 HydrophobicContact SD-CZ2 4.41Å; M335-W437 HydrophobicContact SD-CZ3 3.89Å; M335-M441 HydrophobicContact CE-CE 3.41Å; M335-M441 VanDerWaalsContact CE-CE 3.41Å; M335-M441 HydrophobicContact CE-SD 3.53Å; M335-M441 VanDerWaalsContact CE-SD 3.53Å; M335-M441 HydrophobicContact SD-CE 3.09Å; M335-M441 WeakPolarHBondContact SD-CE 3.24Å; M335-M441 HydrophobicContact SD-SD 3.51Å; M335-Y454 HydrophobicContact CE-CD2 3.25Å; M335-Y454 HydrophobicContact CE-CE2 3.4Å; M335-Y454 HydrophobicContact CE-CG 3.96Å |
| 336 | S | 90.7 | Very high | 91.3 | Very high | 16 Ų | 16 | 27.8 Ų | 27.8 | 11% | 0.112 | 15% | 0.149 | C | C | . | . | trans | -97.4 | 109 | -179.5 | 172.5 | 0 | 0 | 0 | 0 | 107.5 | R169 S333 F338 D339 N340 | R169-S336 PolarHBondContact NH1-OG 3.02Å; R169-S336 PolarHBondContact NH2-OG 3.4Å; S333-S336 WeakPolarHBondContact O-CB 3.34Å; S333-S336 PolarHBondContact O-N 3.47Å; S336-F338 PolarHBondContact O-N 3.23Å; S336-D339 WeakPolarHBondContact CB-OD2 3.34Å; S336-D339 PolarHBondContact O-N 3.48Å; S336-D339 PolarHBondContact OG-OD2 3.01Å; S336-N340 PolarHBondContact O-N 2.88Å | ||
| 337 | D | 92.4 | Very high | 92.1 | Very high | 14 Ų | 14 | 26.3 Ų | 26.3 | 8% | 0.075 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 6.6 | 173.7 | 56.9 | 13.8 | 0 | 0 | 0 | 113.6 | S110 N111 E112 H113 S341 | S110-D337 WeakPolarHBondContact CB-OD1 3.49Å; S110-D337 WeakPolarHBondContact CB-OD2 3.3Å; S110-D337 PolarHBondContact OG-OD2 3.45Å; N111-D337 HydrophobicContact CB-CB 4.17Å; N111-D337 WeakPolarHBondContact CB-OD1 3.4Å; N111-D337 VanDerWaalsContact N-CG 3.26Å; N111-D337 PolarHBondContact N-OD1 3.28Å; N111-D337 PolarHBondContact N-OD2 2.83Å; N111-D337 PolarHBondContact ND2-O 2.97Å; E112-D337 HydrophobicContact CB-CB 4.31Å; E112-D337 HydrophobicContact CG-CB 4.32Å; E112-D337 PolarHBondContact N-OD2 3.5Å; H113-D337 IonicContact ND1-OD2 3.98Å; D337-S341 WeakPolarHBondContact O-CB 3.24Å |
| 338 | F | 94.7 | Very high | 92.7 | Very high | 16 Ų | 16 | 23.3 Ų | 23.3 | 7% | 0.07 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -40.1 | 159.5 | 179.7 | -96.4 | 0 | 0 | 0 | 111.6 | N111 R169 I172 S173 Y182 S336 L346 | N111-F338 WeakPolarHBondContact ND2-CA 3.24Å; N111-F338 PolarHBondContact ND2-N 3.09Å; R169-F338 HydrophobicContact CB-CD2 4.48Å; R169-F338 HydrophobicContact CB-CE1 4.21Å; R169-F338 HydrophobicContact CB-CE2 4.07Å; R169-F338 HydrophobicContact CB-CZ 3.92Å; R169-F338 HydrophobicContact CG-CD1 3.86Å; R169-F338 HydrophobicContact CG-CE1 3.61Å; R169-F338 HydrophobicContact CG-CE2 4.33Å; R169-F338 HydrophobicContact CG-CG 4.34Å; R169-F338 HydrophobicContact CG-CZ 3.86Å; I172-F338 HydrophobicContact CB-CZ 4.01Å; I172-F338 HydrophobicContact CD1-CZ 4.49Å; I172-F338 HydrophobicContact CG2-CZ 3.87Å; S173-F338 WeakPolarHBondContact OG-CE2 3.35Å; Y182-F338 HydrophobicContact CE1-CD2 4.38Å; Y182-F338 PolarHBondContact OH-O 3Å; S336-F338 PolarHBondContact O-N 3.23Å; F338-L346 HydrophobicContact CE1-CD1 4.05Å; F338-L346 HydrophobicContact CE2-CD1 4.42Å; F338-L346 HydrophobicContact CZ-CD1 3.96Å; F338-L346 WeakPolarHBondContact O-CD1 3.46Å |
| 339 | D | 94.2 | Very high | 92.9 | Very high | 12 Ų | 12 | 23.2 Ų | 23.2 | 6% | 0.064 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -30.9 | -177 | -50.8 | -59.4 | 0 | 0 | 0 | 111.5 | R169 F332 S336 A345 L346 | R169-D339 IonicContact CZ-OD2 2.8Å; R169-D339 IonicContact NH2-OD1 3.85Å; R169-D339 IonicContact NH2-OD2 2.94Å; R169-D339 PolarHBondContact NH2-OD2 3.16Å; F332-D339 HydrophobicContact CD2-CB 4.05Å; F332-D339 HydrophobicContact CE2-CB 4.31Å; F332-D339 WeakPolarHBondContact CE2-O 3.17Å; S336-D339 WeakPolarHBondContact CB-OD2 3.34Å; S336-D339 PolarHBondContact O-N 3.48Å; S336-D339 PolarHBondContact OG-OD2 3.01Å; D339-A345 CarbonylContact O-C 3.45Å; D339-A345 WeakPolarHBondContact O-CA 3.47Å; D339-L346 PolarHBondContact O-N 3.09Å |
| 340 | N | 93.2 | Very high | 93.1 | Very high | 4 Ų | 4 | 19.5 Ų | 19.5 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | -139.2 | 77.1 | -175 | -168.7 | 35.5 | 0 | 0 | 0 | 110.5 | V291 C292 F332 A334 S336 | V291-N340 WeakPolarHBondContact CG2-OD1 3.37Å; V291-N340 PolarHBondContact N-OD1 3.36Å; C292-N340 PolarHBondContact N-OD1 2.93Å; C292-N340 PolarHBondContact SG-O 3.24Å; C292-N340 PolarHBondContact SG-OD1 3Å; C292-N340 VanDerWaalsContact SG-OD1 3.36Å; F332-N340 HydrophobicContact CE1-CB 4.44Å; F332-N340 HydrophobicContact CE2-CB 3.96Å; F332-N340 HydrophobicContact CZ-CB 3.58Å; A334-N340 PolarHBondContact O-ND2 2.85Å; S336-N340 PolarHBondContact O-N 2.88Å |
| 341 | S | 94.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -96.9 | 171.7 | 174.9 | 64.4 | 0 | 0 | 0 | 0 | 111.8 | E112 Y182 S290 C292 D337 I343 C344 | E112-S341 WeakPolarHBondContact OE2-CA 3.4Å; Y182-S341 PolarHBondContact OH-OG 3.19Å; S290-S341 VanDerWaalsContact CB-O 3.22Å; S290-S341 WeakPolarHBondContact CB-O 3.5Å; S290-S341 PolarHBondContact OG-O 3.43Å; C292-S341 VanDerWaalsContact SG-C 3.59Å; C292-S341 PolarHBondContact SG-O 3.05Å; D337-S341 WeakPolarHBondContact O-CB 3.24Å; S341-I343 PolarHBondContact O-N 2.99Å; S341-I343 PolarHBondContact OG-N 3.06Å; S341-C344 PolarHBondContact N-O 3.02Å; S341-C344 PolarHBondContact OG-N 3.3Å; S341-C344 PolarHBondContact OG-O 3.27Å | ||
| 342 | T | 92.7 | Very high | 93.1 | Very high | 58 Ų | 58 | 15 Ų | 15 | 36% | 0.356 | 9% | 0.087 | S | C | . | . | S | Bend | trans | -65 | -16.8 | 170.3 | 67.6 | 0 | 0 | 0 | 0 | 113.5 | E112 | E112-T342 WeakPolarHBondContact OE1-CB 3.24Å; E112-T342 PolarHBondContact OE1-N 2.67Å; E112-T342 VanDerWaalsContact OE1-N 3.1Å; E112-T342 PolarHBondContact OE1-OG1 2.81Å; E112-T342 PolarHBondContact OE2-N 3.07Å; E112-T342 VanDerWaalsContact OE2-N 3.09Å |
| 343 | I | 95.1 | Very high | 93 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -77.2 | -55.9 | 177.7 | -62.8 | 177.3 | 0 | 0 | 0 | 110.9 | F68 P181 Y182 L255 Y258 R259 S341 | F68-I343 HydrophobicContact CD2-CD1 3.82Å; F68-I343 HydrophobicContact CE2-CD1 3.75Å; P181-I343 HydrophobicContact CB-CD1 4.06Å; P181-I343 HydrophobicContact CG-CD1 3.91Å; Y182-I343 HydrophobicContact CD2-CD1 4.16Å; Y182-I343 HydrophobicContact CD2-CG2 4.28Å; Y182-I343 HydrophobicContact CE2-CB 3.92Å; Y182-I343 HydrophobicContact CE2-CD1 4.16Å; Y182-I343 HydrophobicContact CE2-CG2 3.88Å; L255-I343 HydrophobicContact CB-CD1 4.25Å; L255-I343 HydrophobicContact CB-CG1 3.75Å; Y258-I343 VanDerWaalsContact C-CG2 3.5Å; Y258-I343 WeakPolarHBondContact O-CG2 3.45Å; R259-I343 WeakPolarHBondContact CG-O 3.32Å; S341-I343 PolarHBondContact O-N 2.99Å; S341-I343 PolarHBondContact OG-N 3.06Å |
| 344 | C | 95 | Very high | 92.5 | Very high | 3 Ų | 3 | 12.6 Ų | 12.6 | 2% | 0.02 | 7% | 0.072 | C | C | . | . | trans | -162.9 | 165.8 | -176.9 | 66.3 | 0 | 0 | 0 | 0 | 110.7 | Y182 V288 S341 | Y182-C344 VanDerWaalsContact CE2-SG 3.51Å; Y182-C344 PolarHBondContact OH-O 3.18Å; Y182-C344 PolarHBondContact OH-SG 3.47Å; V288-C344 WeakPolarHBondContact O-CA 3.37Å; V288-C344 WeakPolarHBondContact O-CB 3.43Å; S341-C344 PolarHBondContact N-O 3.02Å; S341-C344 PolarHBondContact OG-N 3.3Å; S341-C344 PolarHBondContact OG-O 3.27Å | ||
| 345 | A | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 127.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | A287 V288 V291 F332 D339 | A287-A345 WeakPolarHBondContact CA-O 3.44Å; V288-A345 HydrophobicContact CG2-CB 3.86Å; V288-A345 PolarHBondContact N-O 3.37Å; V288-A345 PolarHBondContact O-N 3.19Å; V291-A345 HydrophobicContact CG1-CB 4.33Å; V291-A345 HydrophobicContact CG2-CB 4.03Å; F332-A345 HydrophobicContact CE2-CB 4.12Å; D339-A345 CarbonylContact O-C 3.45Å; D339-A345 WeakPolarHBondContact O-CA 3.47Å |
| 346 | L | 96.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 101.5 | 171.5 | -65.1 | -178.6 | 0 | 0 | 0 | 109.1 | I172 Y182 F262 V285 W286 A287 F338 D339 | I172-L346 HydrophobicContact CG2-CD1 4.09Å; Y182-L346 HydrophobicContact CE1-CD1 4.17Å; F262-L346 HydrophobicContact CD2-CD2 3.83Å; F262-L346 HydrophobicContact CE2-CD1 4.12Å; F262-L346 HydrophobicContact CE2-CD2 3.71Å; F262-L346 HydrophobicContact CE2-CG 4.27Å; F262-L346 HydrophobicContact CG-CD2 4.43Å; F262-L346 HydrophobicContact CZ-CD1 4.04Å; F262-L346 HydrophobicContact CZ-CD2 4.18Å; V285-L346 HydrophobicContact CG1-CD2 4.48Å; W286-L346 CarbonylContact O-C 3.58Å; W286-L346 VanDerWaalsContact O-CA 3.32Å; W286-L346 WeakPolarHBondContact O-CA 3.48Å; A287-L346 HydrophobicContact CB-CD2 3.84Å; F338-L346 HydrophobicContact CE1-CD1 4.05Å; F338-L346 HydrophobicContact CE2-CD1 4.42Å; F338-L346 HydrophobicContact CZ-CD1 3.96Å; F338-L346 WeakPolarHBondContact O-CD1 3.46Å; D339-L346 PolarHBondContact O-N 3.09Å |
| 347 | I | 97.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 121.3 | 177.2 | -62 | 176.2 | 0 | 0 | 0 | 107.8 | V285 W286 V288 V300 L303 F332 L468 | V285-I347 WeakPolarHBondContact CA-O 3.25Å; W286-I347 PolarHBondContact N-O 2.75Å; W286-I347 PolarHBondContact O-N 3.39Å; V288-I347 HydrophobicContact CG2-CD1 3.7Å; V288-I347 HydrophobicContact CG2-CG1 4.18Å; V300-I347 HydrophobicContact CG2-CD1 3.89Å; V300-I347 HydrophobicContact CG2-CG1 4.27Å; L303-I347 HydrophobicContact CD2-CG2 3.76Å; F332-I347 HydrophobicContact CD2-CG1 4.25Å; F332-I347 HydrophobicContact CE2-CG1 4.45Å; I347-L468 HydrophobicContact CD1-CD1 3.83Å; I347-L468 HydrophobicContact CD1-CD2 4.18Å |
| 348 | T | 97.3 | Very high | 89.2 | Confident | 8 Ų | 8 | 26.6 Ų | 26.6 | 5% | 0.049 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 125.7 | 178.6 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | R283 M284 V285 C330 E331 | R283-T348 HydrophobicContact CB-CG2 4.02Å; R283-T348 HydrophobicContact CG-CG2 4.2Å; M284-T348 CarbonylContact O-C 3.5Å; M284-T348 VanDerWaalsContact O-CA 3.32Å; M284-T348 WeakPolarHBondContact O-CA 3.26Å; V285-T348 HydrophobicContact CG2-CG2 4.05Å; C330-T348 CarbonylContact C-O 3.59Å; C330-T348 WeakPolarHBondContact CA-O 3.28Å; E331-T348 HydrophobicContact CB-CG2 4.27Å; E331-T348 PolarHBondContact N-O 2.86Å; E331-T348 PolarHBondContact O-N 3.42Å |
| 349 | I | 97.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 114.7 | 164.2 | -60.5 | 178 | 0 | 0 | 0 | 107.3 | R283 M284 W286 L307 V328 K329 I351 V367 L371 | R283-I349 WeakPolarHBondContact CA-O 3.42Å; M284-I349 HydrophobicContact CB-CB 4.47Å; M284-I349 PolarHBondContact N-O 2.6Å; M284-I349 PolarHBondContact O-N 3.16Å; W286-I349 HydrophobicContact CH2-CD1 3.82Å; W286-I349 HydrophobicContact CH2-CG1 4.31Å; W286-I349 HydrophobicContact CZ3-CB 4.04Å; W286-I349 HydrophobicContact CZ3-CD1 3.7Å; W286-I349 HydrophobicContact CZ3-CG1 3.72Å; L307-I349 HydrophobicContact CD1-CD1 3.66Å; L307-I349 HydrophobicContact CD1-CG1 3.71Å; L307-I349 HydrophobicContact CD2-CD1 4.11Å; V328-I349 HydrophobicContact CG1-CG2 3.98Å; K329-I349 CarbonylContact O-C 3.54Å; K329-I349 WeakPolarHBondContact O-CA 3.42Å; I349-I351 HydrophobicContact CG2-CD1 4.49Å; I349-I351 HydrophobicContact CG2-CG1 4.19Å; I349-V367 HydrophobicContact CD1-CG1 4.1Å; I349-L371 HydrophobicContact CD1-CD2 4.46Å |
| 350 | C | 95.8 | Very high | 88.7 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.02 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130.4 | 177.4 | -173.8 | 0 | 0 | 0 | 0 | 110 | R283 K329 E331 | R283-C350 HydrophobicContact CG-CB 4.19Å; K329-C350 PolarHBondContact N-O 3.26Å; K329-C350 PolarHBondContact O-N 2.92Å; E331-C350 HydrophobicContact CG-CB 4Å; E331-C350 WeakPolarHBondContact OE1-CB 3.27Å |
| 351 | I | 95.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 122 | -177 | -54.7 | 172 | 0 | 0 | 0 | 108 | Q281 L282 L319 A325 V328 I349 L353 I363 V367 | Q281-I351 WeakPolarHBondContact CA-O 3.21Å; L282-I351 HydrophobicContact CB-CB 4.45Å; L282-I351 PolarHBondContact N-O 3.15Å; L282-I351 PolarHBondContact O-N 2.97Å; L319-I351 HydrophobicContact CD1-CG2 4.48Å; A325-I351 HydrophobicContact CB-CG2 3.39Å; V328-I351 HydrophobicContact CG1-CG1 4.4Å; V328-I351 HydrophobicContact CG2-CG1 4.46Å; V328-I351 HydrophobicContact CG2-CG2 4.45Å; I349-I351 HydrophobicContact CG2-CD1 4.49Å; I349-I351 HydrophobicContact CG2-CG1 4.19Å; I351-L353 HydrophobicContact CG2-CD2 4.12Å; I351-L353 PolarHBondContact O-N 3.11Å; I351-I363 HydrophobicContact CD1-CG2 3.72Å; I351-I363 HydrophobicContact CG2-CG2 4.32Å; I351-V367 HydrophobicContact CD1-CG2 3.58Å |
| 352 | D | 91.3 | Very high | 88.2 | Confident | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 109.7 | 177.6 | -78 | -15.5 | 0 | 0 | 0 | 109.6 | K279 Q281 A325 T326 E327 | K279-D352 VanDerWaalsContact CE-CG 3.41Å; K279-D352 WeakPolarHBondContact CE-OD2 3.31Å; K279-D352 IonicContact NZ-OD1 3.52Å; K279-D352 IonicContact NZ-OD2 2.89Å; K279-D352 PolarHBondContact NZ-OD2 3.24Å; Q281-D352 WeakPolarHBondContact CG-OD1 3.48Å; Q281-D352 PolarHBondContact NE2-OD1 3.16Å; A325-D352 CarbonylContact C-O 3.55Å; A325-D352 VanDerWaalsContact CA-O 3.24Å; A325-D352 WeakPolarHBondContact CA-O 2.99Å; A325-D352 WeakPolarHBondContact CB-O 3.44Å; T326-D352 PolarHBondContact N-O 2.71Å; T326-D352 WeakPolarHBondContact OG1-CB 3.28Å; T326-D352 PolarHBondContact OG1-O 3.13Å; T326-D352 VanDerWaalsContact OG1-O 3.13Å; E327-D352 HydrophobicContact CB-CB 4.16Å; E327-D352 PolarHBondContact O-N 3.07Å |
| 353 | L | 90.8 | Very high | 88.2 | Confident | 11 Ų | 11 | 34.6 Ų | 34.6 | 6% | 0.058 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 151.1 | -165.8 | -59 | 175.1 | 0 | 0 | 0 | 112.8 | E280 L282 I351 P358 L360 I363 | E280-L353 HydrophobicContact CB-CB 4.28Å; E280-L353 HydrophobicContact CB-CD1 4.33Å; E280-L353 PolarHBondContact O-N 3.33Å; L282-L353 HydrophobicContact CB-CD1 3.97Å; L282-L353 HydrophobicContact CB-CD2 3.89Å; L282-L353 HydrophobicContact CB-CG 4.15Å; I351-L353 HydrophobicContact CG2-CD2 4.12Å; I351-L353 PolarHBondContact O-N 3.11Å; L353-P358 HydrophobicContact CB-CB 4.26Å; L353-P358 HydrophobicContact CB-CG 4.12Å; L353-P358 HydrophobicContact CD1-CB 4.11Å; L353-P358 HydrophobicContact CD1-CG 3.54Å; L353-P358 HydrophobicContact CD2-CB 4.4Å; L353-P358 HydrophobicContact CG-CB 4.5Å; L353-P358 HydrophobicContact CG-CG 4.33Å; L353-L360 HydrophobicContact CD1-CD2 3.68Å; L353-I363 HydrophobicContact CD2-CD1 3.55Å |
| 354 | N | 78.3 | Confident | 88.1 | Confident | 29 Ų | 29 | 34.6 Ų | 34.6 | 16% | 0.155 | 18% | 0.179 | C | C | . | . | trans | -107 | 145.2 | 170.7 | -95.8 | -30.8 | 0 | 0 | 0 | 111.5 | H323 L324 A325 T326 | H323-N354 VanDerWaalsContact O-CB 3.24Å; H323-N354 WeakPolarHBondContact O-CB 3.47Å; L324-N354 PolarHBondContact O-N 3.01Å; A325-N354 PolarHBondContact O-ND2 3.06Å; T326-N354 VanDerWaalsContact CG2-CG 3.49Å; T326-N354 WeakPolarHBondContact CG2-ND2 3.38Å; T326-N354 WeakPolarHBondContact CG2-OD1 3.34Å | ||
| 355 | G | 66.2 | Low | 87.9 | Confident | 42 Ų | 42 | 36.2 Ų | 36.2 | 43% | 0.433 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 94.7 | 179.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 356 | T | 61.9 | Low | 87.7 | Confident | 133 Ų | 133 | 36.6 Ų | 36.6 | 82% | 0.816 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -100.4 | -3.4 | -177.5 | 49 | 0 | 0 | 0 | 0 | 113.9 | ||
| 357 | R | 70.5 | Confident | 87.5 | Confident | 210 Ų | 210 | 36.5 Ų | 36.5 | 79% | 0.792 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -159.5 | 75.8 | 174 | -70.5 | -165.1 | 178.4 | 171.2 | -1.9 | 109.8 | ||
| 358 | P | 79.5 | Confident | 87.3 | Confident | 23 Ų | 23 | 36.5 Ų | 36.5 | 15% | 0.149 | 19% | 0.189 | C | C | . | . | trans | -64.8 | 138.7 | -179.1 | 24.9 | -31.4 | 0 | 0 | 0 | 111.2 | E280 L353 L360 I363 | E280-P358 WeakPolarHBondContact OE2-CD 3.2Å; L353-P358 HydrophobicContact CB-CB 4.26Å; L353-P358 HydrophobicContact CB-CG 4.12Å; L353-P358 HydrophobicContact CD1-CB 4.11Å; L353-P358 HydrophobicContact CD1-CG 3.54Å; L353-P358 HydrophobicContact CD2-CB 4.4Å; L353-P358 HydrophobicContact CG-CB 4.5Å; L353-P358 HydrophobicContact CG-CG 4.33Å; P358-L360 HydrophobicContact CB-CD2 4.34Å; P358-L360 HydrophobicContact CG-CD2 4.03Å; P358-L360 PolarHBondContact O-N 3.02Å; P358-I363 HydrophobicContact CB-CD1 4.33Å | ||
| 359 | D | 87.2 | Confident | 87 | Confident | 86 Ų | 86 | 37 Ų | 37 | 46% | 0.46 | 19% | 0.19 | S | C | . | . | trans | -76.9 | 90.3 | 170.3 | -175.7 | -16.8 | 0 | 0 | 0 | 109 | F361 K362 I363 | D359-F361 VanDerWaalsContact C-N 3.28Å; D359-F361 PolarHBondContact O-N 3.48Å; D359-F361 PolarHBondContact OD1-N 2.98Å; D359-K362 HydrophobicContact CB-CB 3.95Å; D359-K362 VanDerWaalsContact CG-CB 3.41Å; D359-K362 PolarHBondContact O-N 2.9Å; D359-K362 PolarHBondContact OD1-N 3.12Å; D359-K362 WeakPolarHBondContact OD2-CB 3.32Å; D359-I363 WeakPolarHBondContact O-CG1 3.48Å; D359-I363 PolarHBondContact O-N 3.34Å; D359-I363 VanDerWaalsContact O-N 3.17Å | ||
| 360 | L | 90.6 | Very high | 86.8 | Confident | 17 Ų | 17 | 37 Ų | 37 | 9% | 0.089 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.3 | -41.4 | -175.9 | -57.4 | -179.3 | 0 | 0 | 0 | 111.6 | L270 L282 L353 P358 I363 T364 H481 | L270-L360 HydrophobicContact CD1-CD1 4.3Å; L270-L360 HydrophobicContact CD2-CD1 4.39Å; L282-L360 HydrophobicContact CD1-CD2 4.44Å; L282-L360 HydrophobicContact CD2-CD2 4.36Å; L353-L360 HydrophobicContact CD1-CD2 3.68Å; P358-L360 HydrophobicContact CB-CD2 4.34Å; P358-L360 HydrophobicContact CG-CD2 4.03Å; P358-L360 PolarHBondContact O-N 3.02Å; L360-I363 PolarHBondContact O-N 2.93Å; L360-T364 WeakPolarHBondContact O-CG2 3.35Å; L360-T364 PolarHBondContact O-N 2.83Å; L360-T364 PolarHBondContact O-OG1 3.41Å; L360-H481 HydrophobicContact CD1-CB 4Å |
| 361 | F | 89.6 | Confident | 86.8 | Confident | 55 Ų | 55 | 36.9 Ų | 36.9 | 24% | 0.241 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70 | -38.6 | -176.4 | -62.7 | -61.2 | 0 | 0 | 0 | 112.1 | L270 D359 I363 T364 N365 V508 Q512 | L270-F361 HydrophobicContact CD2-CZ 4.22Å; D359-F361 VanDerWaalsContact C-N 3.28Å; D359-F361 PolarHBondContact O-N 3.48Å; D359-F361 PolarHBondContact OD1-N 2.98Å; F361-I363 VanDerWaalsContact C-N 3.31Å; F361-I363 PolarHBondContact O-N 3.39Å; F361-T364 VanDerWaalsContact CA-OG1 3.3Å; F361-T364 WeakPolarHBondContact CA-OG1 3.42Å; F361-T364 PolarHBondContact O-N 3.37Å; F361-T364 PolarHBondContact O-OG1 3.44Å; F361-N365 WeakPolarHBondContact O-CB 3.23Å; F361-N365 PolarHBondContact O-N 3.49Å; F361-N365 PolarHBondContact O-ND2 3.4Å; F361-V508 HydrophobicContact CE1-CG1 3.66Å; F361-V508 HydrophobicContact CZ-CG1 4.35Å; F361-Q512 HydrophobicContact CD1-CB 4.12Å; F361-Q512 HydrophobicContact CE1-CB 4.23Å |
| 362 | K | 88.9 | Confident | 86.6 | Confident | 100 Ų | 100 | 38.8 Ų | 38.8 | 44% | 0.435 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.8 | -45.4 | 171.5 | -177.2 | 178.8 | -179.7 | -177 | 0 | 111.2 | D359 N365 I366 | D359-K362 HydrophobicContact CB-CB 3.95Å; D359-K362 VanDerWaalsContact CG-CB 3.41Å; D359-K362 PolarHBondContact O-N 2.9Å; D359-K362 PolarHBondContact OD1-N 3.12Å; D359-K362 WeakPolarHBondContact OD2-CB 3.32Å; K362-N365 PolarHBondContact O-N 3.36Å; K362-I366 HydrophobicContact CG-CD1 4.1Å; K362-I366 WeakPolarHBondContact O-CD1 3.2Å; K362-I366 VanDerWaalsContact O-CG1 3.28Å; K362-I366 WeakPolarHBondContact O-CG1 3.44Å; K362-I366 PolarHBondContact O-N 2.77Å; K362-I366 VanDerWaalsContact O-N 3.11Å |
| 363 | I | 92 | Very high | 86.7 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.3 | -47.5 | 179.3 | -64.5 | 170.3 | 0 | 0 | 0 | 110.6 | L282 L319 L324 I351 L353 P358 D359 L360 F361 N365 I366 V367 | L282-I363 HydrophobicContact CD2-CB 4.45Å; L282-I363 HydrophobicContact CD2-CG2 4.13Å; L319-I363 HydrophobicContact CD2-CG2 4.42Å; L324-I363 HydrophobicContact CB-CD1 4.15Å; L324-I363 HydrophobicContact CB-CG1 4.05Å; L324-I363 HydrophobicContact CD1-CG1 4.42Å; I351-I363 HydrophobicContact CD1-CG2 3.72Å; I351-I363 HydrophobicContact CG2-CG2 4.32Å; L353-I363 HydrophobicContact CD2-CD1 3.55Å; P358-I363 HydrophobicContact CB-CD1 4.33Å; D359-I363 WeakPolarHBondContact O-CG1 3.48Å; D359-I363 PolarHBondContact O-N 3.34Å; D359-I363 VanDerWaalsContact O-N 3.17Å; L360-I363 PolarHBondContact O-N 2.93Å; F361-I363 VanDerWaalsContact C-N 3.31Å; F361-I363 PolarHBondContact O-N 3.39Å; I363-N365 VanDerWaalsContact C-N 3.29Å; I363-N365 PolarHBondContact O-N 3.5Å; I363-I366 PolarHBondContact O-N 3.41Å; I363-V367 WeakPolarHBondContact O-CG2 3.41Å; I363-V367 PolarHBondContact O-N 3.24Å; I363-V367 VanDerWaalsContact O-N 3.09Å |
| 364 | T | 92.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.5 | -41.1 | 177.4 | 53.7 | 0 | 0 | 0 | 0 | 111.8 | L282 M284 L360 F361 I366 V367 Y368 L479 | L282-T364 HydrophobicContact CD2-CG2 3.88Å; M284-T364 HydrophobicContact CE-CG2 4Å; M284-T364 HydrophobicContact CG-CG2 4.4Å; M284-T364 HydrophobicContact SD-CG2 4.01Å; L360-T364 WeakPolarHBondContact O-CG2 3.35Å; L360-T364 PolarHBondContact O-N 2.83Å; L360-T364 PolarHBondContact O-OG1 3.41Å; F361-T364 VanDerWaalsContact CA-OG1 3.3Å; F361-T364 WeakPolarHBondContact CA-OG1 3.42Å; F361-T364 PolarHBondContact O-N 3.37Å; F361-T364 PolarHBondContact O-OG1 3.44Å; T364-I366 VanDerWaalsContact C-N 3.35Å; T364-I366 PolarHBondContact O-N 3.43Å; T364-V367 PolarHBondContact O-N 3.09Å; T364-Y368 VanDerWaalsContact O-CD2 3.22Å; T364-Y368 WeakPolarHBondContact O-CD2 3.44Å; T364-Y368 PolarHBondContact O-N 3.33Å; T364-L479 HydrophobicContact CG2-CD1 4.06Å; T364-L479 HydrophobicContact CG2-CD2 3.76Å |
| 365 | N | 90.7 | Very high | 87.5 | Confident | 37 Ų | 37 | 38.7 Ų | 38.7 | 20% | 0.198 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 178.4 | -74.5 | -30.5 | 0 | 0 | 0 | 111.8 | F361 K362 I363 V367 Y368 E369 I513 G514 | F361-N365 WeakPolarHBondContact O-CB 3.23Å; F361-N365 PolarHBondContact O-N 3.49Å; F361-N365 PolarHBondContact O-ND2 3.4Å; K362-N365 PolarHBondContact O-N 3.36Å; I363-N365 VanDerWaalsContact C-N 3.29Å; I363-N365 PolarHBondContact O-N 3.5Å; N365-V367 VanDerWaalsContact C-N 3.32Å; N365-V367 PolarHBondContact O-N 2.71Å; N365-Y368 PolarHBondContact O-N 2.8Å; N365-E369 WeakPolarHBondContact O-CG 3.48Å; N365-E369 PolarHBondContact O-N 2.72Å; N365-I513 PolarHBondContact OD1-O 3.29Å; N365-G514 WeakPolarHBondContact OD1-CA 3.48Å; N365-G514 PolarHBondContact OD1-N 3.45Å; N365-G514 VanDerWaalsContact OD1-N 3.09Å |
| 366 | I | 91.7 | Very high | 88.8 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 176.5 | -66.6 | 162.2 | 0 | 0 | 0 | 110.9 | L315 Y318 L319 L324 K362 I363 T364 E369 Y370 F525 | L315-I366 HydrophobicContact CD1-CG2 3.8Å; Y318-I366 HydrophobicContact CD1-CG2 3.99Å; Y318-I366 HydrophobicContact CE1-CD1 3.99Å; Y318-I366 HydrophobicContact CE1-CG1 4.41Å; Y318-I366 HydrophobicContact CE1-CG2 4.22Å; L319-I366 HydrophobicContact CD2-CB 4.29Å; L319-I366 HydrophobicContact CD2-CD1 3.94Å; L319-I366 HydrophobicContact CD2-CG2 3.89Å; L319-I366 HydrophobicContact CG-CG2 4.47Å; L324-I366 HydrophobicContact CD1-CD1 3.6Å; K362-I366 HydrophobicContact CG-CD1 4.1Å; K362-I366 WeakPolarHBondContact O-CD1 3.2Å; K362-I366 VanDerWaalsContact O-CG1 3.28Å; K362-I366 WeakPolarHBondContact O-CG1 3.44Å; K362-I366 PolarHBondContact O-N 2.77Å; K362-I366 VanDerWaalsContact O-N 3.11Å; I363-I366 PolarHBondContact O-N 3.41Å; T364-I366 VanDerWaalsContact C-N 3.35Å; T364-I366 PolarHBondContact O-N 3.43Å; I366-E369 PolarHBondContact O-N 3.42Å; I366-Y370 PolarHBondContact O-N 3.35Å; I366-F525 HydrophobicContact CG2-CZ 3.86Å |
| 367 | V | 93.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.1 | -45.8 | 176.5 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | M284 L315 I349 I351 I363 T364 N365 E369 Y370 L371 | M284-V367 HydrophobicContact CE-CB 4.39Å; M284-V367 HydrophobicContact CE-CG1 4.25Å; M284-V367 HydrophobicContact SD-CB 3.91Å; M284-V367 HydrophobicContact SD-CG1 3.78Å; M284-V367 HydrophobicContact SD-CG2 4.04Å; L315-V367 HydrophobicContact CD1-CG2 4.41Å; L315-V367 HydrophobicContact CD2-CG2 4.32Å; I349-V367 HydrophobicContact CD1-CG1 4.1Å; I351-V367 HydrophobicContact CD1-CG2 3.58Å; I363-V367 WeakPolarHBondContact O-CG2 3.41Å; I363-V367 PolarHBondContact O-N 3.24Å; I363-V367 VanDerWaalsContact O-N 3.09Å; T364-V367 PolarHBondContact O-N 3.09Å; N365-V367 VanDerWaalsContact C-N 3.32Å; N365-V367 PolarHBondContact O-N 2.71Å; V367-E369 PolarHBondContact O-N 3.11Å; V367-Y370 WeakPolarHBondContact O-CB 3.48Å; V367-Y370 PolarHBondContact O-N 3.25Å; V367-L371 HydrophobicContact CG1-CD1 4.21Å; V367-L371 HydrophobicContact CG1-CG 4.48Å; V367-L371 WeakPolarHBondContact O-CG 3.26Å; V367-L371 PolarHBondContact O-N 3.03Å |
| 368 | Y | 92.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.1 | -38.8 | 176 | -83.4 | -71.3 | 0 | 0 | 0 | 112.8 | M284 W286 T364 N365 Y370 L371 R372 L472 S473 Q475 Q476 A477 I513 C515 | M284-Y368 HydrophobicContact CE-CD2 3.88Å; M284-Y368 HydrophobicContact CE-CE2 3.35Å; W286-Y368 HydrophobicContact CZ2-CE1 4.11Å; W286-Y368 AromaticContact CZ2-CZ 3.95Å; T364-Y368 VanDerWaalsContact O-CD2 3.22Å; T364-Y368 WeakPolarHBondContact O-CD2 3.44Å; T364-Y368 PolarHBondContact O-N 3.33Å; N365-Y368 PolarHBondContact O-N 2.8Å; Y368-Y370 VanDerWaalsContact C-N 3.32Å; Y368-Y370 PolarHBondContact O-N 3.39Å; Y368-L371 PolarHBondContact O-N 3.18Å; Y368-R372 WeakPolarHBondContact O-CG 3.23Å; Y368-R372 PolarHBondContact O-N 2.88Å; Y368-L472 VanDerWaalsContact CE1-O 3.27Å; Y368-L472 WeakPolarHBondContact CE1-O 3.13Å; Y368-S473 WeakPolarHBondContact CD1-O 3.48Å; Y368-Q475 WeakPolarHBondContact CE1-O 3.35Å; Y368-Q475 PolarHBondContact OH-O 3.03Å; Y368-Q476 WeakPolarHBondContact OH-CA 2.81Å; Y368-A477 PolarHBondContact OH-N 3.45Å; Y368-I513 HydrophobicContact CD2-CG2 3.85Å; Y368-I513 WeakPolarHBondContact CD2-O 3.2Å; Y368-I513 HydrophobicContact CE2-CG2 3.21Å; Y368-C515 HydrophobicContact CD1-CB 3.86Å; Y368-C515 HydrophobicContact CD2-CB 4.36Å; Y368-C515 HydrophobicContact CE1-CB 3.58Å; Y368-C515 HydrophobicContact CE2-CB 4.17Å; Y368-C515 HydrophobicContact CG-CB 4.24Å |
| 369 | E | 91.4 | Very high | 92 | Very high | 18 Ų | 18 | 28.6 Ų | 28.6 | 8% | 0.084 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.5 | -42.6 | 171.9 | -76.4 | -175.2 | -153.8 | 0 | 0 | 111.8 | N365 I366 V367 R372 F373 T522 F525 | N365-E369 WeakPolarHBondContact O-CG 3.48Å; N365-E369 PolarHBondContact O-N 2.72Å; I366-E369 PolarHBondContact O-N 3.42Å; V367-E369 PolarHBondContact O-N 3.11Å; E369-R372 PolarHBondContact O-N 3.39Å; E369-F373 WeakPolarHBondContact O-CB 3.3Å; E369-F373 PolarHBondContact O-N 3.29Å; E369-T522 PolarHBondContact OE1-OG1 3.06Å; E369-T522 PolarHBondContact OE2-N 3.27Å; E369-T522 VanDerWaalsContact OE2-N 3.07Å; E369-T522 PolarHBondContact OE2-OG1 3.05Å; E369-T522 VanDerWaalsContact OE2-OG1 3.11Å; E369-F525 HydrophobicContact CB-CE2 4.15Å |
| 370 | Y | 93.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.3 | -43.2 | 176.8 | -170.7 | -109.1 | 0 | 0 | 0 | 112.7 | F306 L307 L315 I366 V367 Y368 R372 F373 L374 F525 | F306-Y370 PolarHBondContact O-OH 3.27Å; L307-Y370 HydrophobicContact CD2-CD1 4.14Å; L307-Y370 HydrophobicContact CD2-CE1 4.17Å; L315-Y370 HydrophobicContact CB-CD1 3.77Å; L315-Y370 HydrophobicContact CB-CD2 3.96Å; L315-Y370 HydrophobicContact CB-CE1 3.92Å; L315-Y370 HydrophobicContact CB-CE2 4.13Å; L315-Y370 HydrophobicContact CB-CG 3.78Å; L315-Y370 HydrophobicContact CD1-CG 4.37Å; L315-Y370 HydrophobicContact CD2-CD1 3.84Å; L315-Y370 HydrophobicContact CD2-CE1 4.46Å; L315-Y370 HydrophobicContact CD2-CG 4.24Å; L315-Y370 HydrophobicContact CG-CD1 4.33Å; L315-Y370 HydrophobicContact CG-CG 4.35Å; I366-Y370 PolarHBondContact O-N 3.35Å; V367-Y370 WeakPolarHBondContact O-CB 3.48Å; V367-Y370 PolarHBondContact O-N 3.25Å; Y368-Y370 VanDerWaalsContact C-N 3.32Å; Y368-Y370 PolarHBondContact O-N 3.39Å; Y370-R372 VanDerWaalsContact C-N 3.33Å; Y370-R372 PolarHBondContact O-N 3.48Å; Y370-F373 HydrophobicContact CD2-CD1 4.15Å; Y370-F373 HydrophobicContact CE2-CD1 4.07Å; Y370-F373 HydrophobicContact CE2-CE1 4.32Å; Y370-F373 WeakPolarHBondContact O-CB 3.49Å; Y370-F373 PolarHBondContact O-N 3.41Å; Y370-L374 HydrophobicContact CD1-CD1 3.91Å; Y370-L374 HydrophobicContact CD1-CG 4.26Å; Y370-L374 HydrophobicContact CE1-CD1 3.46Å; Y370-L374 VanDerWaalsContact CE1-CD1 3.46Å; Y370-L374 HydrophobicContact CE1-CD2 4.37Å; Y370-L374 HydrophobicContact CE1-CG 3.93Å; Y370-L374 WeakPolarHBondContact O-CG 3.28Å; Y370-L374 PolarHBondContact O-N 3.23Å; Y370-F525 HydrophobicContact CD2-CB 4.12Å; Y370-F525 AromaticContact CD2-CD1 3.59Å; Y370-F525 HydrophobicContact CD2-CD1 3.59Å; Y370-F525 AromaticContact CD2-CD2 3.81Å; Y370-F525 HydrophobicContact CD2-CD2 3.81Å; Y370-F525 AromaticContact CD2-CE1 3.81Å; Y370-F525 HydrophobicContact CD2-CE1 3.81Å; Y370-F525 HydrophobicContact CD2-CE2 4Å; Y370-F525 AromaticContact CD2-CG 3.58Å; Y370-F525 HydrophobicContact CD2-CG 3.58Å; Y370-F525 AromaticContact CD2-CZ 3.99Å; Y370-F525 HydrophobicContact CD2-CZ 3.99Å; Y370-F525 HydrophobicContact CE2-CB 4.34Å; Y370-F525 HydrophobicContact CE2-CD1 4.06Å; Y370-F525 HydrophobicContact CE2-CG 4.18Å; Y370-F525 HydrophobicContact CG-CE2 4.41Å; Y370-F525 HydrophobicContact CG-CZ 4.39Å |
| 371 | L | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.4 | -39.7 | 176.7 | -68.2 | 172.4 | 0 | 0 | 0 | 111.9 | W286 L303 I349 V367 Y368 L374 S375 L469 L472 | W286-L371 HydrophobicContact CH2-CD1 4.19Å; W286-L371 HydrophobicContact CZ2-CD1 4.02Å; L303-L371 HydrophobicContact CD1-CD2 3.9Å; I349-L371 HydrophobicContact CD1-CD2 4.46Å; V367-L371 HydrophobicContact CG1-CD1 4.21Å; V367-L371 HydrophobicContact CG1-CG 4.48Å; V367-L371 WeakPolarHBondContact O-CG 3.26Å; V367-L371 PolarHBondContact O-N 3.03Å; Y368-L371 PolarHBondContact O-N 3.18Å; L371-L374 PolarHBondContact O-N 3.48Å; L371-S375 WeakPolarHBondContact O-CB 3.27Å; L371-S375 PolarHBondContact O-N 3.47Å; L371-L469 HydrophobicContact CD2-CD2 4.36Å; L371-L472 HydrophobicContact CD1-CB 4.15Å |
| 372 | R | 91.6 | Very high | 92 | Very high | 41 Ų | 41 | 27 Ų | 27 | 16% | 0.155 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.6 | -42.7 | 173.6 | -75.5 | -172.7 | -75.3 | -124.1 | 3.2 | 112.1 | Y368 E369 Y370 S375 T376 G514 C515 N517 | Y368-R372 WeakPolarHBondContact O-CG 3.23Å; Y368-R372 PolarHBondContact O-N 2.88Å; E369-R372 PolarHBondContact O-N 3.39Å; Y370-R372 VanDerWaalsContact C-N 3.33Å; Y370-R372 PolarHBondContact O-N 3.48Å; R372-S375 PolarHBondContact O-N 3.29Å; R372-T376 WeakPolarHBondContact O-CB 3.5Å; R372-T376 PolarHBondContact O-N 2.84Å; R372-T376 PolarHBondContact O-OG1 3.31Å; R372-G514 PolarHBondContact NH1-O 2.92Å; R372-G514 PolarHBondContact NH2-O 3.02Å; R372-C515 PolarHBondContact NH1-O 3.09Å; R372-N517 PolarHBondContact NH1-O 3.01Å |
| 373 | F | 92.6 | Very high | 91.8 | Very high | 38 Ų | 38 | 28.7 Ų | 28.7 | 17% | 0.167 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.4 | -50.3 | 173.8 | 162.4 | -101.6 | 0 | 0 | 0 | 111.2 | E369 Y370 T376 K377 F525 L527 | E369-F373 WeakPolarHBondContact O-CB 3.3Å; E369-F373 PolarHBondContact O-N 3.29Å; Y370-F373 HydrophobicContact CD2-CD1 4.15Å; Y370-F373 HydrophobicContact CE2-CD1 4.07Å; Y370-F373 HydrophobicContact CE2-CE1 4.32Å; Y370-F373 WeakPolarHBondContact O-CB 3.49Å; Y370-F373 PolarHBondContact O-N 3.41Å; F373-T376 WeakPolarHBondContact O-CB 3.37Å; F373-T376 PolarHBondContact O-N 2.88Å; F373-K377 HydrophobicContact CD2-CG 4.23Å; F373-K377 HydrophobicContact CE1-CG 4.47Å; F373-K377 HydrophobicContact CE2-CD 4.26Å; F373-K377 HydrophobicContact CE2-CG 3.8Å; F373-K377 HydrophobicContact CZ-CG 3.92Å; F373-K377 WeakPolarHBondContact O-CG 3.35Å; F373-K377 PolarHBondContact O-N 3.48Å; F373-F525 HydrophobicContact CB-CD2 4.49Å; F373-F525 HydrophobicContact CD1-CB 3.86Å; F373-F525 HydrophobicContact CD2-CB 4.31Å; F373-F525 HydrophobicContact CE1-CB 4.06Å; F373-F525 HydrophobicContact CE2-CB 4.47Å; F373-F525 HydrophobicContact CG-CB 4Å; F373-F525 HydrophobicContact CZ-CB 4.36Å; F373-L527 HydrophobicContact CE1-CD2 4.03Å; F373-L527 HydrophobicContact CE1-CG 4.41Å; F373-L527 HydrophobicContact CZ-CD2 4.13Å; F373-L527 HydrophobicContact CZ-CG 4.02Å |
| 374 | L | 94 | Very high | 90.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 177.1 | -69.3 | -177.8 | 0 | 0 | 0 | 112.3 | F306 Y370 L371 T376 K377 A378 L469 L527 | F306-L374 HydrophobicContact CB-CD1 3.7Å; F306-L374 HydrophobicContact CB-CD2 4.08Å; F306-L374 HydrophobicContact CD1-CD2 4.06Å; F306-L374 HydrophobicContact CD2-CD2 4.35Å; F306-L374 HydrophobicContact CG-CD1 4.25Å; F306-L374 HydrophobicContact CG-CD2 3.91Å; Y370-L374 HydrophobicContact CD1-CD1 3.91Å; Y370-L374 HydrophobicContact CD1-CG 4.26Å; Y370-L374 HydrophobicContact CE1-CD1 3.46Å; Y370-L374 VanDerWaalsContact CE1-CD1 3.46Å; Y370-L374 HydrophobicContact CE1-CD2 4.37Å; Y370-L374 HydrophobicContact CE1-CG 3.93Å; Y370-L374 WeakPolarHBondContact O-CG 3.28Å; Y370-L374 PolarHBondContact O-N 3.23Å; L371-L374 PolarHBondContact O-N 3.48Å; L374-T376 VanDerWaalsContact C-N 3.25Å; L374-T376 PolarHBondContact O-N 3.16Å; L374-K377 PolarHBondContact O-N 3.24Å; L374-K377 VanDerWaalsContact O-N 3.16Å; L374-A378 WeakPolarHBondContact O-CB 3.43Å; L374-A378 PolarHBondContact O-N 3.46Å; L374-L469 HydrophobicContact CB-CD1 3.97Å; L374-L469 HydrophobicContact CB-CD2 3.99Å; L374-L469 HydrophobicContact CD1-CD2 4.14Å; L374-L527 HydrophobicContact CD2-CD2 4.05Å |
| 375 | S | 93.7 | Very high | 89 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.4 | -41.6 | 175.3 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | L371 R372 A378 N379 | L371-S375 WeakPolarHBondContact O-CB 3.27Å; L371-S375 PolarHBondContact O-N 3.47Å; R372-S375 PolarHBondContact O-N 3.29Å; S375-A378 PolarHBondContact O-N 2.82Å; S375-N379 WeakPolarHBondContact O-CB 3.45Å; S375-N379 PolarHBondContact O-N 3.39Å; S375-N379 PolarHBondContact O-ND2 2.96Å |
| 376 | T | 92.8 | Very high | 87.2 | Confident | 77 Ų | 77 | 46.6 Ų | 46.6 | 47% | 0.472 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65 | -44.9 | 178 | -55 | 0 | 0 | 0 | 0 | 110.6 | R372 F373 L374 N379 E380 | R372-T376 WeakPolarHBondContact O-CB 3.5Å; R372-T376 PolarHBondContact O-N 2.84Å; R372-T376 PolarHBondContact O-OG1 3.31Å; F373-T376 WeakPolarHBondContact O-CB 3.37Å; F373-T376 PolarHBondContact O-N 2.88Å; L374-T376 VanDerWaalsContact C-N 3.25Å; L374-T376 PolarHBondContact O-N 3.16Å; T376-N379 PolarHBondContact O-N 3.38Å; T376-E380 WeakPolarHBondContact O-CG 3.42Å; T376-E380 PolarHBondContact O-N 2.9Å |
| 377 | K | 93.1 | Very high | 85.2 | Confident | 56 Ų | 56 | 48.8 Ų | 48.8 | 24% | 0.243 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.9 | -35.6 | 178.3 | -66.3 | -70.3 | 158.9 | -138 | 0 | 113.1 | F373 L374 E380 A381 F408 L527 | F373-K377 HydrophobicContact CD2-CG 4.23Å; F373-K377 HydrophobicContact CE1-CG 4.47Å; F373-K377 HydrophobicContact CE2-CD 4.26Å; F373-K377 HydrophobicContact CE2-CG 3.8Å; F373-K377 HydrophobicContact CZ-CG 3.92Å; F373-K377 WeakPolarHBondContact O-CG 3.35Å; F373-K377 PolarHBondContact O-N 3.48Å; L374-K377 PolarHBondContact O-N 3.24Å; L374-K377 VanDerWaalsContact O-N 3.16Å; K377-E380 IonicContact NZ-OE1 3.37Å; K377-E380 PolarHBondContact NZ-OE1 2.93Å; K377-E380 IonicContact NZ-OE2 3.52Å; K377-E380 PolarHBondContact NZ-OE2 3.39Å; K377-A381 PolarHBondContact O-N 2.89Å; K377-F408 HydrophobicContact CB-CB 4.21Å; K377-F408 HydrophobicContact CB-CD2 4.07Å; K377-F408 WeakPolarHBondContact O-CB 3.27Å; K377-L527 HydrophobicContact CB-CD1 4.28Å; K377-L527 HydrophobicContact CB-CD2 4.45Å; K377-L527 HydrophobicContact CD-CD1 4.05Å; K377-L527 HydrophobicContact CG-CD1 4.21Å; K377-L527 HydrophobicContact CG-CD2 4.42Å; K377-L527 HydrophobicContact CG-CG 4.36Å |
| 378 | A | 93.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.4 | -42.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L374 S375 E380 A381 C382 F408 L469 | L374-A378 WeakPolarHBondContact O-CB 3.43Å; L374-A378 PolarHBondContact O-N 3.46Å; S375-A378 PolarHBondContact O-N 2.82Å; A378-E380 PolarHBondContact O-N 3.4Å; A378-A381 WeakPolarHBondContact O-CB 3.4Å; A378-A381 PolarHBondContact O-N 3.21Å; A378-A381 VanDerWaalsContact O-N 3.16Å; A378-C382 PolarHBondContact O-N 3.45Å; A378-C382 PolarHBondContact O-SG 3.08Å; A378-F408 HydrophobicContact CB-CD1 4.19Å; A378-F408 HydrophobicContact CB-CD2 4.39Å; A378-F408 HydrophobicContact CB-CE1 3.85Å; A378-F408 HydrophobicContact CB-CE2 4.09Å; A378-F408 HydrophobicContact CB-CG 4.44Å; A378-F408 HydrophobicContact CB-CZ 3.81Å; A378-L469 HydrophobicContact CB-CD1 3.92Å |
| 379 | N | 92.6 | Very high | 80.4 | Confident | 62 Ų | 62 | 63 Ų | 63 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 174.1 | -81.4 | -52.5 | 0 | 0 | 0 | 112.5 | S375 T376 A381 C382 I383 S466 | S375-N379 WeakPolarHBondContact O-CB 3.45Å; S375-N379 PolarHBondContact O-N 3.39Å; S375-N379 PolarHBondContact O-ND2 2.96Å; T376-N379 PolarHBondContact O-N 3.38Å; N379-A381 VanDerWaalsContact C-N 3.26Å; N379-A381 PolarHBondContact O-N 2.88Å; N379-C382 WeakPolarHBondContact O-CB 3.44Å; N379-C382 PolarHBondContact O-N 3.04Å; N379-C382 VanDerWaalsContact O-N 3.11Å; N379-I383 PolarHBondContact O-N 3.16Å; N379-S466 PolarHBondContact ND2-OG 2.97Å; N379-S466 VanDerWaalsContact ND2-OG 3.11Å; N379-S466 PolarHBondContact OD1-OG 3.11Å |
| 380 | E | 91.9 | Very high | 77.9 | Confident | 82 Ų | 82 | 70.9 Ų | 70.9 | 38% | 0.383 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.1 | -40.6 | 173.3 | -73.2 | 169.4 | -157.6 | 0 | 0 | 111.6 | T376 K377 A378 I383 N384 | T376-E380 WeakPolarHBondContact O-CG 3.42Å; T376-E380 PolarHBondContact O-N 2.9Å; K377-E380 IonicContact NZ-OE1 3.37Å; K377-E380 PolarHBondContact NZ-OE1 2.93Å; K377-E380 IonicContact NZ-OE2 3.52Å; K377-E380 PolarHBondContact NZ-OE2 3.39Å; A378-E380 PolarHBondContact O-N 3.4Å; E380-I383 PolarHBondContact O-N 2.91Å; E380-N384 PolarHBondContact O-N 3.35Å; E380-N384 PolarHBondContact O-ND2 3.48Å |
| 381 | A | 88.7 | Confident | 75.3 | Confident | 16 Ų | 16 | 74.9 Ų | 74.9 | 13% | 0.132 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.8 | -30 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K377 A378 N379 I383 F408 D409 F462 | K377-A381 PolarHBondContact O-N 2.89Å; A378-A381 WeakPolarHBondContact O-CB 3.4Å; A378-A381 PolarHBondContact O-N 3.21Å; A378-A381 VanDerWaalsContact O-N 3.16Å; N379-A381 VanDerWaalsContact C-N 3.26Å; N379-A381 PolarHBondContact O-N 2.88Å; A381-I383 VanDerWaalsContact C-N 3.35Å; A381-F408 HydrophobicContact CB-CB 4.21Å; A381-F408 HydrophobicContact CB-CD1 4.36Å; A381-D409 HydrophobicContact CB-CB 4.39Å; A381-F462 HydrophobicContact CB-CD1 3.98Å; A381-F462 HydrophobicContact CB-CE1 4.41Å; A381-F462 HydrophobicContact CB-CG 4.29Å |
| 382 | C | 86.6 | Confident | 72.4 | Confident | 28 Ų | 28 | 80.9 Ų | 80.9 | 19% | 0.189 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.3 | -36.9 | 175.8 | -63.2 | 0 | 0 | 0 | 0 | 112.6 | A378 N379 F462 | A378-C382 PolarHBondContact O-N 3.45Å; A378-C382 PolarHBondContact O-SG 3.08Å; N379-C382 WeakPolarHBondContact O-CB 3.44Å; N379-C382 PolarHBondContact O-N 3.04Å; N379-C382 VanDerWaalsContact O-N 3.11Å; C382-F462 VanDerWaalsContact SG-CB 3.6Å; C382-F462 PolarHBondContact SG-O 2.94Å |
| 383 | I | 84.1 | Confident | 69.5 | Low | 135 Ų | 135 | 85.9 Ų | 85.9 | 69% | 0.692 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -76.8 | -38.5 | -176.7 | -63.2 | 167.9 | 0 | 0 | 0 | 110.7 | N379 E380 A381 K385 | N379-I383 PolarHBondContact O-N 3.16Å; E380-I383 PolarHBondContact O-N 2.91Å; A381-I383 VanDerWaalsContact C-N 3.35Å; I383-K385 PolarHBondContact O-N 3.28Å; I383-K385 VanDerWaalsContact O-N 3.16Å |
| 384 | N | 70.7 | Confident | 66.6 | Low | 110 Ų | 110 | 88.4 Ų | 88.4 | 59% | 0.588 | 45% | 0.449 | S | S | * | . | trans | -86.2 | 87.1 | -174.5 | -67.9 | -26.8 | 0 | 0 | 0 | 111.6 | E380 N386 | E380-N384 PolarHBondContact O-N 3.35Å; E380-N384 PolarHBondContact O-ND2 3.48Å; N384-N386 VanDerWaalsContact C-N 3.31Å; N384-N386 PolarHBondContact O-N 2.98Å | ||
| 385 | K | 56.9 | Low | 63.4 | Low | 188 Ų | 188 | 93.7 Ų | 93.7 | 82% | 0.817 | 48% | 0.481 | S | S | * | . | trans | -76.2 | -4.5 | -179 | -72.5 | -173.1 | 176.1 | -178.6 | 0 | 116.1 | I383 | I383-K385 PolarHBondContact O-N 3.28Å; I383-K385 VanDerWaalsContact O-N 3.16Å | ||
| 386 | N | 52 | Low | 60.1 | Low | 115 Ų | 115 | 100.3 Ų | 100.3 | 62% | 0.615 | 52% | 0.521 | S | S | * | . | trans | -117 | 100.4 | 179.4 | -85.8 | -11.9 | 0 | 0 | 0 | 111.6 | N384 E388 | N384-N386 VanDerWaalsContact C-N 3.31Å; N384-N386 PolarHBondContact O-N 2.98Å; N386-E388 VanDerWaalsContact C-N 3.31Å; N386-E388 PolarHBondContact O-N 3.3Å | ||
| 387 | P | 50.2 | Low | 56.9 | Low | 53 Ų | 53 | 101.6 Ų | 101.6 | 34% | 0.344 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -71.9 | -22.2 | 177.4 | -12 | 26 | 0 | 0 | 0 | 113.6 | ||
| 388 | E | 43.5 | Very low | 53.8 | Low | 156 Ų | 156 | 106.2 Ų | 106.2 | 73% | 0.729 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -80.1 | -26.4 | -170.1 | -66.6 | -168.1 | 168.2 | 0 | 0 | 114.4 | N386 Y390 | N386-E388 VanDerWaalsContact C-N 3.31Å; N386-E388 PolarHBondContact O-N 3.3Å; E388-Y390 VanDerWaalsContact C-N 3.3Å; E388-Y390 PolarHBondContact O-N 2.88Å |
| 389 | E | 41 | Very low | 50.6 | Low | 142 Ų | 142 | 114 Ų | 114 | 66% | 0.664 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74.1 | -18.5 | -179.1 | -84.2 | -177.9 | 145.5 | 0 | 0 | 113.6 | ||
| 390 | Y | 39.7 | Very low | 47.6 | Very low | 184 Ų | 184 | 116.6 Ų | 116.6 | 72% | 0.722 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -86.3 | -23 | 179 | -129.7 | -92.4 | 0 | 0 | 0 | 113.6 | E388 | E388-Y390 VanDerWaalsContact C-N 3.3Å; E388-Y390 PolarHBondContact O-N 2.88Å |
| 391 | N | 38.6 | Very low | 44.7 | Very low | 85 Ų | 85 | 119.6 Ų | 119.6 | 46% | 0.455 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -82.6 | -17 | 178.5 | -79.3 | -34.5 | 0 | 0 | 0 | 113.4 | ||
| 392 | N | 32.9 | Very low | 42.1 | Very low | 126 Ų | 126 | 124 Ų | 124 | 67% | 0.674 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -97.3 | 1.7 | -173.7 | -74.7 | -19.7 | 0 | 0 | 0 | 115.3 | T394 | N392-T394 PolarHBondContact O-N 3.5Š|
| 393 | N | 30.7 | Very low | 39.8 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 78% | 0.775 | 69% | 0.685 | S | S | * | * | trans | -83.7 | 54.4 | 167.2 | -77.8 | -25.2 | 0 | 0 | 0 | 111.3 | ||||
| 394 | T | 31.7 | Very low | 38.1 | Very low | 91 Ų | 91 | 126 Ų | 126 | 56% | 0.558 | 67% | 0.67 | S | S | * | * | trans | -92.2 | 90.8 | 166.1 | 48 | 0 | 0 | 0 | 0 | 108.9 | N392 T396 | N392-T394 PolarHBondContact O-N 3.5Å; T394-T396 PolarHBondContact O-N 3.19Å | ||
| 395 | T | 26.1 | Very low | 37.7 | Very low | 112 Ų | 112 | 130 Ų | 130 | 69% | 0.687 | 68% | 0.682 | S | S | * | * | trans | -67 | 114.6 | 158.9 | 41.5 | 0 | 0 | 0 | 0 | 108.4 | T397 | T395-T397 PolarHBondContact O-N 2.76Š| ||
| 396 | T | 25.4 | Very low | 38.6 | Very low | 143 Ų | 143 | 122.1 Ų | 122.1 | 88% | 0.877 | 65% | 0.65 | S | S | * | * | trans | -57.8 | 95.1 | 166.6 | 39.5 | 0 | 0 | 0 | 0 | 110.1 | T394 | T394-T396 PolarHBondContact O-N 3.19Š| ||
| 397 | T | 26.2 | Very low | 40.3 | Very low | 105 Ų | 105 | 119.3 Ų | 119.3 | 64% | 0.644 | 64% | 0.638 | S | S | * | * | trans | -133.9 | 112.2 | 163.9 | 49.7 | 0 | 0 | 0 | 0 | 109.9 | T395 | T395-T397 PolarHBondContact O-N 2.76Š| ||
| 398 | N | 27.1 | Very low | 42.2 | Very low | 152 Ų | 152 | 117 Ų | 117 | 81% | 0.813 | 62% | 0.622 | S | S | * | * | trans | -19.8 | 131.6 | 172.5 | -60.7 | -26.3 | 0 | 0 | 0 | 117.8 | T400 | N398-T400 PolarHBondContact O-N 3.01Š| ||
| 399 | N | 27.1 | Very low | 44.3 | Very low | 164 Ų | 164 | 110.7 Ų | 110.7 | 88% | 0.877 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 55.4 | 44.5 | 145.2 | -68.8 | -5.2 | 0 | 0 | 0 | 119.7 | ||
| 400 | T | 28.6 | Very low | 46.4 | Very low | 116 Ų | 116 | 104.9 Ų | 104.9 | 71% | 0.712 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -140.5 | 133.1 | 150.1 | 42.3 | 0 | 0 | 0 | 0 | 109.2 | N398 I402 | N398-T400 PolarHBondContact O-N 3.01Å; T400-I402 PolarHBondContact O-N 3.14Å |
| 401 | T | 30.8 | Very low | 48.6 | Very low | 145 Ų | 145 | 96.3 Ų | 96.3 | 89% | 0.89 | 54% | 0.535 | S | S | * | . | trans | -51.5 | 102.8 | 177 | 26.1 | 0 | 0 | 0 | 0 | 110.4 | N403 | T401-N403 PolarHBondContact O-N 3.46Š| ||
| 402 | I | 33.6 | Very low | 51 | Low | 108 Ų | 108 | 92.2 Ų | 92.2 | 55% | 0.554 | 51% | 0.514 | S | S | * | . | trans | -70.3 | 111 | -179.5 | -61.5 | 175.8 | 0 | 0 | 0 | 108.2 | T400 M404 | T400-I402 PolarHBondContact O-N 3.14Å; I402-M404 VanDerWaalsContact C-N 3.31Å; I402-M404 PolarHBondContact O-N 3.37Å | ||
| 403 | N | 38.3 | Very low | 53.6 | Low | 132 Ų | 132 | 91.2 Ų | 91.2 | 71% | 0.706 | 50% | 0.5 | S | S | * | . | trans | -60.5 | 89.9 | 164.1 | -86 | -21 | 0 | 0 | 0 | 109 | T401 K405 | T401-N403 PolarHBondContact O-N 3.46Å; N403-K405 PolarHBondContact O-N 3.25Å; N403-K405 VanDerWaalsContact O-N 3.11Å | ||
| 404 | M | 48.5 | Very low | 56 | Low | 75 Ų | 75 | 86.5 Ų | 86.5 | 37% | 0.369 | 48% | 0.475 | S | S | . | . | trans | -62.1 | 111.9 | 166 | -77.6 | -162.2 | 173.5 | 0 | 0 | 108.2 | I402 S406 | I402-M404 VanDerWaalsContact C-N 3.31Å; I402-M404 PolarHBondContact O-N 3.37Å; M404-S406 PolarHBondContact O-N 2.93Å | ||
| 405 | K | 62.9 | Low | 58.6 | Low | 194 Ų | 194 | 84.4 Ų | 84.4 | 84% | 0.843 | 46% | 0.457 | S | S | * | . | trans | -64.5 | 117.8 | 171.7 | -76.7 | -176.6 | 177.7 | 178.9 | 0 | 108.4 | N403 | N403-K405 PolarHBondContact O-N 3.25Å; N403-K405 VanDerWaalsContact O-N 3.11Å | ||
| 406 | S | 75.7 | Confident | 61.5 | Low | 21 Ų | 21 | 81.2 Ų | 81.2 | 15% | 0.147 | 44% | 0.435 | C | S | . | . | trans | -69.9 | 144.2 | 174.9 | 46.6 | 0 | 0 | 0 | 0 | 111.5 | M404 L527 P528 | M404-S406 PolarHBondContact O-N 2.93Å; S406-L527 PolarHBondContact OG-O 3.34Å; S406-P528 WeakPolarHBondContact CB-O 3.36Å; S406-P528 PolarHBondContact OG-O 3.01Å | ||
| 407 | T | 87.4 | Confident | 64.2 | Low | 57 Ų | 57 | 78.6 Ų | 78.6 | 35% | 0.35 | 42% | 0.415 | S | S | . | . | trans | -106.5 | 161.8 | 171.3 | 67.8 | 0 | 0 | 0 | 0 | 109.9 | D409 S410 C411 | T407-D409 VanDerWaalsContact C-N 3.28Å; T407-D409 PolarHBondContact O-N 2.94Å; T407-S410 PolarHBondContact N-OG 3.11Å; T407-S410 PolarHBondContact O-N 3.35Å; T407-S410 PolarHBondContact O-OG 3.21Å; T407-S410 PolarHBondContact OG1-N 3.45Å; T407-S410 VanDerWaalsContact OG1-N 3.11Å; T407-S410 PolarHBondContact OG1-OG 3.49Å; T407-C411 PolarHBondContact O-N 3.24Å; T407-C411 PolarHBondContact O-SG 2.83Å | ||
| 408 | F | 89.9 | Confident | 66.7 | Low | 3 Ų | 3 | 75.6 Ų | 75.6 | 1% | 0.013 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.4 | -41.6 | 177.4 | -168 | -89.4 | 0 | 0 | 0 | 111.2 | V302 F306 K377 A378 A381 C411 L412 F462 Y465 L469 L527 | V302-F408 HydrophobicContact CG1-CZ 4.11Å; F306-F408 AromaticContact CD2-CE2 3.95Å; F306-F408 HydrophobicContact CD2-CE2 3.95Å; F306-F408 HydrophobicContact CD2-CZ 4.36Å; F306-F408 AromaticContact CE2-CD2 3.84Å; F306-F408 HydrophobicContact CE2-CD2 3.84Å; F306-F408 HydrophobicContact CE2-CE1 4.4Å; F306-F408 AromaticContact CE2-CE2 3.21Å; F306-F408 HydrophobicContact CE2-CE2 3.21Å; F306-F408 AromaticContact CE2-CZ 3.54Å; F306-F408 HydrophobicContact CE2-CZ 3.54Å; F306-F408 AromaticContact CZ-CD2 3.69Å; F306-F408 HydrophobicContact CZ-CD2 3.69Å; F306-F408 AromaticContact CZ-CE2 3.58Å; F306-F408 HydrophobicContact CZ-CE2 3.58Å; F306-F408 HydrophobicContact CZ-CG 4.36Å; F306-F408 HydrophobicContact CZ-CZ 4.17Å; K377-F408 HydrophobicContact CB-CB 4.21Å; K377-F408 HydrophobicContact CB-CD2 4.07Å; K377-F408 WeakPolarHBondContact O-CB 3.27Å; A378-F408 HydrophobicContact CB-CD1 4.19Å; A378-F408 HydrophobicContact CB-CD2 4.39Å; A378-F408 HydrophobicContact CB-CE1 3.85Å; A378-F408 HydrophobicContact CB-CE2 4.09Å; A378-F408 HydrophobicContact CB-CG 4.44Å; A378-F408 HydrophobicContact CB-CZ 3.81Å; A381-F408 HydrophobicContact CB-CB 4.21Å; A381-F408 HydrophobicContact CB-CD1 4.36Å; F408-C411 PolarHBondContact O-N 3.32Å; F408-L412 HydrophobicContact CD1-CD1 3.83Å; F408-L412 HydrophobicContact CD1-CG 4.24Å; F408-L412 HydrophobicContact CE1-CD1 3.34Å; F408-L412 HydrophobicContact CE1-CG 4.06Å; F408-L412 HydrophobicContact CZ-CD1 4.07Å; F408-L412 WeakPolarHBondContact O-CG 3.42Å; F408-L412 PolarHBondContact O-N 3.13Å; F408-L412 VanDerWaalsContact O-N 3.09Å; F408-F462 HydrophobicContact CD1-CD1 4.14Å; F408-F462 HydrophobicContact CD1-CE1 4.36Å; F408-F462 HydrophobicContact CE1-CD1 4.35Å; F408-Y465 HydrophobicContact CE1-CD2 4.25Å; F408-L469 HydrophobicContact CE2-CD1 4.2Å; F408-L469 HydrophobicContact CZ-CD1 4.04Å; F408-L527 HydrophobicContact CB-CD1 4.27Å; F408-L527 HydrophobicContact CD2-CD2 4.37Å |
| 409 | D | 89 | Confident | 69.3 | Low | 24 Ų | 24 | 69.3 Ų | 69.3 | 13% | 0.128 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 173.6 | 170.4 | 83 | 0 | 0 | 0 | 112 | A381 T407 C411 L412 R413 F462 | A381-D409 HydrophobicContact CB-CB 4.39Å; T407-D409 VanDerWaalsContact C-N 3.28Å; T407-D409 PolarHBondContact O-N 2.94Å; D409-C411 VanDerWaalsContact C-N 3.34Å; D409-C411 PolarHBondContact O-N 3.47Å; D409-L412 PolarHBondContact O-N 2.98Å; D409-R413 VanDerWaalsContact CG-NE 3.26Å; D409-R413 WeakPolarHBondContact O-CG 3.45Å; D409-R413 PolarHBondContact O-N 3.28Å; D409-R413 IonicContact OD1-CZ 3.73Å; D409-R413 IonicContact OD1-NE 3.56Å; D409-R413 PolarHBondContact OD1-NE 3.37Å; D409-R413 IonicContact OD1-NH2 3.46Å; D409-R413 PolarHBondContact OD1-NH2 3.21Å; D409-R413 IonicContact OD2-CZ 3.65Å; D409-R413 IonicContact OD2-NE 3.23Å; D409-R413 PolarHBondContact OD2-NE 2.85Å; D409-R413 IonicContact OD2-NH2 2.74Å; D409-F462 HydrophobicContact CB-CE1 4.07Å; D409-F462 HydrophobicContact CB-CZ 3.9Å; D409-F462 WeakPolarHBondContact OD1-CZ 3.47Å |
| 410 | S | 84.3 | Confident | 72 | Confident | 20 Ų | 20 | 66.4 Ų | 66.4 | 14% | 0.14 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.8 | -43 | -179.7 | 65.9 | 0 | 0 | 0 | 0 | 111.9 | T407 L412 R413 D414 | T407-S410 PolarHBondContact N-OG 3.11Å; T407-S410 PolarHBondContact O-N 3.35Å; T407-S410 PolarHBondContact O-OG 3.21Å; T407-S410 PolarHBondContact OG1-N 3.45Å; T407-S410 VanDerWaalsContact OG1-N 3.11Å; T407-S410 PolarHBondContact OG1-OG 3.49Å; S410-L412 VanDerWaalsContact C-N 3.32Å; S410-L412 PolarHBondContact O-N 2.93Å; S410-R413 PolarHBondContact O-N 2.85Å; S410-D414 PolarHBondContact O-N 2.93Å |
| 411 | C | 86.6 | Confident | 74.1 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 3% | 0.027 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 178.1 | -65.6 | 0 | 0 | 0 | 0 | 111.7 | Y305 F306 T407 F408 D409 Y415 P528 | Y305-C411 HydrophobicContact CE1-CB 4.27Å; F306-C411 HydrophobicContact CE1-CB 4.11Å; F306-C411 HydrophobicContact CZ-CB 4.11Å; T407-C411 PolarHBondContact O-N 3.24Å; T407-C411 PolarHBondContact O-SG 2.83Å; F408-C411 PolarHBondContact O-N 3.32Å; D409-C411 VanDerWaalsContact C-N 3.34Å; D409-C411 PolarHBondContact O-N 3.47Å; C411-Y415 WeakPolarHBondContact O-CB 3.08Å; C411-Y415 PolarHBondContact O-N 3.18Å; C411-P528 PolarHBondContact SG-O 3.18Å; C411-P528 VanDerWaalsContact SG-O 3.35Å |
| 412 | L | 89.2 | Confident | 76.3 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73.6 | -33.7 | -179.5 | -69.8 | -167.6 | 0 | 0 | 0 | 113.4 | V302 Y305 F306 F408 D409 S410 Y415 Q416 L460 F462 Y465 | V302-L412 HydrophobicContact CB-CD2 4.37Å; V302-L412 HydrophobicContact CG1-CD1 4.06Å; V302-L412 HydrophobicContact CG1-CD2 3.8Å; V302-L412 HydrophobicContact CG2-CD1 4.24Å; V302-L412 HydrophobicContact CG2-CD2 3.91Å; Y305-L412 HydrophobicContact CD1-CD2 4.36Å; F306-L412 HydrophobicContact CE2-CD2 3.76Å; F306-L412 HydrophobicContact CE2-CG 4.37Å; F306-L412 HydrophobicContact CZ-CD2 4Å; F306-L412 HydrophobicContact CZ-CG 4.4Å; F408-L412 HydrophobicContact CD1-CD1 3.83Å; F408-L412 HydrophobicContact CD1-CG 4.24Å; F408-L412 HydrophobicContact CE1-CD1 3.34Å; F408-L412 HydrophobicContact CE1-CG 4.06Å; F408-L412 HydrophobicContact CZ-CD1 4.07Å; F408-L412 WeakPolarHBondContact O-CG 3.42Å; F408-L412 PolarHBondContact O-N 3.13Å; F408-L412 VanDerWaalsContact O-N 3.09Å; D409-L412 PolarHBondContact O-N 2.98Å; S410-L412 VanDerWaalsContact C-N 3.32Å; S410-L412 PolarHBondContact O-N 2.93Å; L412-Y415 HydrophobicContact CD2-CD1 4.49Å; L412-Y415 PolarHBondContact O-N 2.84Å; L412-Q416 VanDerWaalsContact O-CB 3.23Å; L412-Q416 WeakPolarHBondContact O-CB 3.23Å; L412-Q416 PolarHBondContact O-N 3Å; L412-L460 HydrophobicContact CB-CD2 3.83Å; L412-L460 HydrophobicContact CD1-CD2 4.36Å; L412-F462 HydrophobicContact CD1-CD1 4.41Å; L412-F462 HydrophobicContact CD1-CE1 4.03Å; L412-Y465 HydrophobicContact CD1-CD2 3.6Å; L412-Y465 HydrophobicContact CD1-CE2 3.59Å |
| 413 | R | 87.6 | Confident | 78.7 | Confident | 104 Ų | 104 | 54.1 Ų | 54.1 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 172.4 | -71.4 | 179 | -170 | -98.2 | -8.4 | 111.4 | D409 S410 Y415 Q416 L417 L460 | D409-R413 VanDerWaalsContact CG-NE 3.26Å; D409-R413 WeakPolarHBondContact O-CG 3.45Å; D409-R413 PolarHBondContact O-N 3.28Å; D409-R413 IonicContact OD1-CZ 3.73Å; D409-R413 IonicContact OD1-NE 3.56Å; D409-R413 PolarHBondContact OD1-NE 3.37Å; D409-R413 IonicContact OD1-NH2 3.46Å; D409-R413 PolarHBondContact OD1-NH2 3.21Å; D409-R413 IonicContact OD2-CZ 3.65Å; D409-R413 IonicContact OD2-NE 3.23Å; D409-R413 PolarHBondContact OD2-NE 2.85Å; D409-R413 IonicContact OD2-NH2 2.74Å; S410-R413 PolarHBondContact O-N 2.85Å; R413-Y415 VanDerWaalsContact C-N 3.31Å; R413-Y415 PolarHBondContact O-N 3.36Å; R413-Q416 PolarHBondContact O-N 3.08Å; R413-L417 WeakPolarHBondContact O-CG 3.48Å; R413-L417 PolarHBondContact O-N 3.24Å; R413-L460 HydrophobicContact CG-CD1 3.74Å |
| 414 | D | 81 | Confident | 80.7 | Confident | 46 Ų | 46 | 50.5 Ų | 50.5 | 25% | 0.246 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 176.4 | -69 | -11 | 0 | 0 | 0 | 111.1 | S410 L417 T418 | S410-D414 PolarHBondContact O-N 2.93Å; D414-L417 PolarHBondContact O-N 3.26Å; D414-T418 WeakPolarHBondContact O-CB 3.44Å; D414-T418 PolarHBondContact O-N 2.94Å; D414-T418 PolarHBondContact O-OG1 3.39Å |
| 415 | Y | 85.3 | Confident | 81.6 | Confident | 47 Ų | 47 | 47.8 Ų | 47.8 | 18% | 0.184 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.5 | -44 | 176 | -177.4 | -133.9 | 0 | 0 | 0 | 112.3 | Y305 C411 L412 R413 L417 T418 Q419 I457 | Y305-Y415 HydrophobicContact CD1-CD1 4.25Å; Y305-Y415 HydrophobicContact CD1-CG 4.33Å; Y305-Y415 HydrophobicContact CD2-CD1 4.22Å; Y305-Y415 AromaticContact CD2-CD2 3.56Å; Y305-Y415 HydrophobicContact CD2-CD2 3.56Å; Y305-Y415 HydrophobicContact CD2-CE1 4.33Å; Y305-Y415 AromaticContact CD2-CE2 3.73Å; Y305-Y415 HydrophobicContact CD2-CE2 3.73Å; Y305-Y415 AromaticContact CD2-CG 3.82Å; Y305-Y415 HydrophobicContact CD2-CG 3.82Å; Y305-Y415 AromaticContact CE2-CD2 3.89Å; Y305-Y415 HydrophobicContact CE2-CD2 3.89Å; Y305-Y415 HydrophobicContact CE2-CE2 4.46Å; Y305-Y415 HydrophobicContact CE2-CG 4.1Å; Y305-Y415 AromaticContact CG-CD1 3.9Å; Y305-Y415 HydrophobicContact CG-CD1 3.9Å; Y305-Y415 HydrophobicContact CG-CD2 4.1Å; Y305-Y415 AromaticContact CG-CE1 3.97Å; Y305-Y415 HydrophobicContact CG-CE1 3.97Å; Y305-Y415 HydrophobicContact CG-CE2 4.21Å; Y305-Y415 AromaticContact CG-CG 3.95Å; Y305-Y415 HydrophobicContact CG-CG 3.95Å; C411-Y415 WeakPolarHBondContact O-CB 3.08Å; C411-Y415 PolarHBondContact O-N 3.18Å; L412-Y415 HydrophobicContact CD2-CD1 4.49Å; L412-Y415 PolarHBondContact O-N 2.84Å; R413-Y415 VanDerWaalsContact C-N 3.31Å; R413-Y415 PolarHBondContact O-N 3.36Å; Y415-L417 VanDerWaalsContact C-N 3.34Å; Y415-L417 PolarHBondContact O-N 3.39Å; Y415-T418 PolarHBondContact O-N 3.08Å; Y415-Q419 HydrophobicContact CD2-CG 4.25Å; Y415-Q419 HydrophobicContact CE2-CG 3.92Å; Y415-Q419 WeakPolarHBondContact O-CG 3.34Å; Y415-Q419 PolarHBondContact O-N 3.33Å; Y415-Q419 PolarHBondContact OH-NE2 3.33Å; Y415-I457 HydrophobicContact CD1-CD1 3.81Å; Y415-I457 HydrophobicContact CE1-CD1 3.91Å |
| 416 | Q | 87.3 | Confident | 82 | Confident | 46 Ų | 46 | 41.7 Ų | 41.7 | 22% | 0.215 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59 | -44.5 | 176.2 | -177.4 | 179 | 44.4 | 0 | 0 | 111.7 | L412 R413 Q419 K420 I457 K458 | L412-Q416 VanDerWaalsContact O-CB 3.23Å; L412-Q416 WeakPolarHBondContact O-CB 3.23Å; L412-Q416 PolarHBondContact O-N 3Å; R413-Q416 PolarHBondContact O-N 3.08Å; Q416-Q419 PolarHBondContact O-N 3.1Å; Q416-K420 WeakPolarHBondContact O-CB 3.3Å; Q416-K420 PolarHBondContact O-N 2.7Å; Q416-I457 HydrophobicContact CG-CB 4.31Å; Q416-I457 VanDerWaalsContact CG-O 3.26Å; Q416-I457 WeakPolarHBondContact CG-O 3.41Å; Q416-I457 PolarHBondContact NE2-O 2.82Å; Q416-K458 PolarHBondContact NE2-O 3.03Å |
| 417 | L | 81.3 | Confident | 81.7 | Confident | 87 Ų | 87 | 42.6 Ų | 42.6 | 46% | 0.455 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.4 | -47.9 | 175.5 | -72.3 | 168.8 | 0 | 0 | 0 | 111.2 | R413 D414 Y415 Q419 K420 E421 | R413-L417 WeakPolarHBondContact O-CG 3.48Å; R413-L417 PolarHBondContact O-N 3.24Å; D414-L417 PolarHBondContact O-N 3.26Å; Y415-L417 VanDerWaalsContact C-N 3.34Å; Y415-L417 PolarHBondContact O-N 3.39Å; L417-Q419 VanDerWaalsContact C-N 3.31Å; L417-Q419 PolarHBondContact O-N 3.07Å; L417-K420 PolarHBondContact O-N 3.5Å; L417-K420 VanDerWaalsContact O-N 3.12Å; L417-E421 WeakPolarHBondContact O-CG 3.48Å; L417-E421 PolarHBondContact O-N 3.03Å |
| 418 | T | 78.5 | Confident | 81.1 | Confident | 42 Ų | 42 | 42.3 Ų | 42.3 | 26% | 0.258 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.3 | -42.1 | 178.9 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | D414 Y415 T422 | D414-T418 WeakPolarHBondContact O-CB 3.44Å; D414-T418 PolarHBondContact O-N 2.94Å; D414-T418 PolarHBondContact O-OG1 3.39Å; Y415-T418 PolarHBondContact O-N 3.08Å; T418-T422 WeakPolarHBondContact O-CB 3.03Å; T418-T422 PolarHBondContact O-N 3.37Å; T418-T422 PolarHBondContact O-OG1 3.31Å |
| 419 | Q | 83.2 | Confident | 80.6 | Confident | 20 Ų | 20 | 45.7 Ų | 45.7 | 9% | 0.093 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64 | -44.8 | 174.9 | -75.6 | -173.6 | -15.5 | 0 | 0 | 111.9 | Y415 Q416 L417 E421 T422 F423 I456 | Y415-Q419 HydrophobicContact CD2-CG 4.25Å; Y415-Q419 HydrophobicContact CE2-CG 3.92Å; Y415-Q419 WeakPolarHBondContact O-CG 3.34Å; Y415-Q419 PolarHBondContact O-N 3.33Å; Y415-Q419 PolarHBondContact OH-NE2 3.33Å; Q416-Q419 PolarHBondContact O-N 3.1Å; L417-Q419 VanDerWaalsContact C-N 3.31Å; L417-Q419 PolarHBondContact O-N 3.07Å; Q419-E421 PolarHBondContact O-N 3.14Å; Q419-T422 PolarHBondContact O-N 3.47Å; Q419-F423 WeakPolarHBondContact O-CB 3.46Å; Q419-F423 PolarHBondContact O-N 3.36Å; Q419-I456 HydrophobicContact CB-CG2 4.31Å |
| 420 | K | 83.5 | Confident | 79.9 | Confident | 103 Ų | 103 | 45.8 Ų | 45.8 | 45% | 0.448 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.5 | -45 | 179.3 | -171 | 176.1 | -178.7 | 178.3 | 0 | 111.8 | Q416 L417 T422 F423 Q424 | Q416-K420 WeakPolarHBondContact O-CB 3.3Å; Q416-K420 PolarHBondContact O-N 2.7Å; L417-K420 PolarHBondContact O-N 3.5Å; L417-K420 VanDerWaalsContact O-N 3.12Å; K420-T422 VanDerWaalsContact C-N 3.34Å; K420-T422 PolarHBondContact O-N 2.93Å; K420-F423 PolarHBondContact O-N 3.31Å; K420-Q424 VanDerWaalsContact O-CB 3.32Å; K420-Q424 WeakPolarHBondContact O-CB 3.47Å; K420-Q424 VanDerWaalsContact O-CG 3.24Å; K420-Q424 WeakPolarHBondContact O-CG 3.37Å; K420-Q424 PolarHBondContact O-N 2.96Å |
| 421 | E | 73.2 | Confident | 79.9 | Confident | 27 Ų | 27 | 45.4 Ų | 45.4 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.4 | -44.2 | 174 | -71.7 | 179 | -178.9 | 0 | 0 | 111.6 | L417 Q419 Q424 C425 R624 | L417-E421 WeakPolarHBondContact O-CG 3.48Å; L417-E421 PolarHBondContact O-N 3.03Å; Q419-E421 PolarHBondContact O-N 3.14Å; E421-Q424 PolarHBondContact O-N 3.3Å; E421-C425 PolarHBondContact O-N 3.22Å; E421-C425 VanDerWaalsContact O-N 3.12Å; E421-C425 PolarHBondContact O-SG 2.85Å; E421-R624 IonicContact OE2-CZ 3.45Å; E421-R624 IonicContact OE2-NH1 3.95Å; E421-R624 PolarHBondContact OE2-NH1 2.86Å; E421-R624 IonicContact OE2-NH2 3.76Å |
| 422 | T | 77 | Confident | 79.9 | Confident | 74 Ų | 74 | 46.9 Ų | 46.9 | 45% | 0.454 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.7 | -44 | 178.6 | -60 | 0 | 0 | 0 | 0 | 111.5 | T418 Q419 K420 C425 R426 | T418-T422 WeakPolarHBondContact O-CB 3.03Å; T418-T422 PolarHBondContact O-N 3.37Å; T418-T422 PolarHBondContact O-OG1 3.31Å; Q419-T422 PolarHBondContact O-N 3.47Å; K420-T422 VanDerWaalsContact C-N 3.34Å; K420-T422 PolarHBondContact O-N 2.93Å; T422-C425 PolarHBondContact O-N 3.48Å; T422-R426 PolarHBondContact O-N 2.7Å; T422-R426 VanDerWaalsContact O-N 3.16Å |
| 423 | F | 84.2 | Confident | 79.9 | Confident | 11 Ų | 11 | 51.5 Ų | 51.5 | 5% | 0.048 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 175.9 | 173.8 | -102.6 | 0 | 0 | 0 | 111.8 | E17 S19 Q419 K420 C425 R426 H451 L455 I456 | E17-F423 HydrophobicContact CG-CE1 4.15Å; S19-F423 VanDerWaalsContact CB-O 3.24Å; S19-F423 WeakPolarHBondContact CB-O 3.44Å; Q419-F423 WeakPolarHBondContact O-CB 3.46Å; Q419-F423 PolarHBondContact O-N 3.36Å; K420-F423 PolarHBondContact O-N 3.31Å; F423-C425 PolarHBondContact O-N 3.08Å; F423-R426 VanDerWaalsContact O-CB 3.24Å; F423-R426 WeakPolarHBondContact O-CB 3.49Å; F423-R426 PolarHBondContact O-N 2.9Å; F423-R426 VanDerWaalsContact O-N 3.13Å; F423-H451 HydrophobicContact CE2-CB 4.26Å; F423-H451 WeakPolarHBondContact CE2-O 3.13Å; F423-H451 HydrophobicContact CZ-CB 4.18Å; F423-L455 HydrophobicContact CD2-CB 4.38Å; F423-L455 HydrophobicContact CD2-CD1 3.95Å; F423-L455 HydrophobicContact CE2-CD1 4.24Å; F423-I456 HydrophobicContact CB-CG2 3.45Å; F423-I456 VanDerWaalsContact CB-CG2 3.45Å; F423-I456 HydrophobicContact CD1-CG2 4.38Å; F423-I456 HydrophobicContact CG-CG2 3.9Å |
| 424 | Q | 78.4 | Confident | 80.1 | Confident | 56 Ų | 56 | 46.6 Ų | 46.6 | 26% | 0.262 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.7 | -30.3 | 179.7 | -81.9 | -180 | -7.4 | 0 | 0 | 113.5 | H20 K420 E421 | H20-Q424 WeakPolarHBondContact CB-O 3.4Å; H20-Q424 PolarHBondContact CE1-NE2 2.85Å; H20-Q424 PolarHBondContact CE1-OE1 2.75Å; H20-Q424 PolarHBondContact N-O 2.92Å; H20-Q424 WeakPolarHBondContact ND1-CB 3.36Å; K420-Q424 VanDerWaalsContact O-CB 3.32Å; K420-Q424 WeakPolarHBondContact O-CB 3.47Å; K420-Q424 VanDerWaalsContact O-CG 3.24Å; K420-Q424 WeakPolarHBondContact O-CG 3.37Å; K420-Q424 PolarHBondContact O-N 2.96Å; E421-Q424 PolarHBondContact O-N 3.3Å |
| 425 | C | 68.3 | Low | 80.8 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 12% | 0.122 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 3.7 | 179.9 | -56.2 | 0 | 0 | 0 | 0 | 113.6 | E421 T422 F423 K578 | E421-C425 PolarHBondContact O-N 3.22Å; E421-C425 VanDerWaalsContact O-N 3.12Å; E421-C425 PolarHBondContact O-SG 2.85Å; T422-C425 PolarHBondContact O-N 3.48Å; F423-C425 PolarHBondContact O-N 3.08Å; C425-K578 HydrophobicContact CB-CD 3.78Å; C425-K578 HydrophobicContact CB-CG 4.47Å; C425-K578 VanDerWaalsContact SG-CD 3.57Å |
| 426 | R | 72.1 | Confident | 81.3 | Confident | 65 Ų | 65 | 44 Ų | 44 | 25% | 0.245 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -60.8 | 140 | -173.7 | -166.2 | -169.2 | -174.5 | -178 | 12.6 | 110.9 | T21 T422 F423 | T21-R426 PolarHBondContact OG1-O 3.17Å; T422-R426 PolarHBondContact O-N 2.7Å; T422-R426 VanDerWaalsContact O-N 3.16Å; F423-R426 VanDerWaalsContact O-CB 3.24Å; F423-R426 WeakPolarHBondContact O-CB 3.49Å; F423-R426 PolarHBondContact O-N 2.9Å; F423-R426 VanDerWaalsContact O-N 3.13Å |
| 427 | T | 67.9 | Low | 81.6 | Confident | 41 Ų | 41 | 44 Ų | 44 | 25% | 0.252 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -65.2 | 135.8 | 168 | -44.9 | 0 | 0 | 0 | 0 | 109.8 | N909 N911 L914 | T427-N909 VanDerWaalsContact CG2-ND2 3.29Å; T427-N909 WeakPolarHBondContact CG2-ND2 3.24Å; T427-N911 PolarHBondContact OG1-ND2 3.18Å; T427-L914 HydrophobicContact CG2-CD1 4.19Å |
| 428 | I | 76.3 | Confident | 82.4 | Confident | 50 Ų | 50 | 39.9 Ų | 39.9 | 26% | 0.256 | 20% | 0.201 | S | C | . | . | P | Polyproline II helix | trans | -67.5 | 136.4 | 172.2 | -62.1 | 169.1 | 0 | 0 | 0 | 109.6 | T21 D22 | T21-I428 WeakPolarHBondContact O-CD1 3.39Å; D22-I428 VanDerWaalsContact CA-CD1 3.5Å; D22-I428 HydrophobicContact CB-CD1 3.92Å; D22-I428 HydrophobicContact CB-CG1 4.04Å |
| 429 | F | 77.7 | Confident | 83.2 | Confident | 75 Ų | 75 | 37.9 Ų | 37.9 | 33% | 0.329 | 19% | 0.189 | S | C | . | . | P | Polyproline II helix | trans | -69.1 | 152.2 | 171.3 | -71.2 | -37.3 | 0 | 0 | 0 | 112.6 | E433 T434 | F429-E433 HydrophobicContact CB-CB 3.89Å; F429-E433 HydrophobicContact CG-CB 4.18Å; F429-T434 PolarHBondContact O-OG1 3.19Å |
| 430 | G | 75.3 | Confident | 83.8 | Confident | 25 Ų | 25 | 38.3 Ų | 38.3 | 26% | 0.258 | 19% | 0.193 | S | C | . | . | P | Polyproline II helix | trans | -58.5 | 168.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q432 E433 T434 | G430-Q432 VanDerWaalsContact C-N 3.28Å; G430-Q432 PolarHBondContact O-N 3.38Å; G430-E433 WeakPolarHBondContact CA-OE2 3.15Å; G430-E433 PolarHBondContact O-N 3.04Å; G430-T434 VanDerWaalsContact O-CB 3.3Å; G430-T434 WeakPolarHBondContact O-CB 3.4Å; G430-T434 PolarHBondContact O-N 2.88Å; G430-T434 PolarHBondContact O-OG1 3.4Å |
| 431 | P | 84.9 | Confident | 84.3 | Confident | 12 Ų | 12 | 33.4 Ų | 33.4 | 8% | 0.078 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -54.9 | -43.7 | -177.1 | -24.4 | 31 | 0 | 0 | 0 | 113 | D54 L56 A58 Q226 V435 | D54-P431 HydrophobicContact CB-CG 4.07Å; L56-P431 HydrophobicContact CB-CG 4.44Å; A58-P431 HydrophobicContact CB-CB 3.82Å; Q226-P431 HydrophobicContact CG-CB 4.37Å; P431-V435 WeakPolarHBondContact O-CG2 3.24Å; P431-V435 PolarHBondContact O-N 2.83Å; P431-V435 VanDerWaalsContact O-N 3.1Å |
| 432 | Q | 86.7 | Confident | 85.3 | Confident | 36 Ų | 36 | 32.2 Ų | 32.2 | 17% | 0.168 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.8 | -51.3 | -177.4 | -177.6 | 171.9 | -57.3 | 0 | 0 | 111.9 | Y117 S119 G430 T434 V435 I436 | Y117-Q432 HydrophobicContact CD2-CG 3.88Å; Y117-Q432 HydrophobicContact CE2-CG 4.09Å; S119-Q432 PolarHBondContact OG-OE1 3.19Å; G430-Q432 VanDerWaalsContact C-N 3.28Å; G430-Q432 PolarHBondContact O-N 3.38Å; Q432-T434 VanDerWaalsContact C-N 3.27Å; Q432-T434 PolarHBondContact O-N 2.84Å; Q432-V435 VanDerWaalsContact O-CG2 3.22Å; Q432-V435 WeakPolarHBondContact O-CG2 3.37Å; Q432-V435 PolarHBondContact O-N 2.79Å; Q432-I436 HydrophobicContact CG-CD1 3.82Å; Q432-I436 WeakPolarHBondContact O-CB 3.26Å; Q432-I436 WeakPolarHBondContact O-CD1 3.47Å; Q432-I436 VanDerWaalsContact O-CG1 3.22Å; Q432-I436 WeakPolarHBondContact O-CG1 3.33Å; Q432-I436 PolarHBondContact O-N 3.08Å |
| 433 | E | 88.1 | Confident | 86.1 | Confident | 97 Ų | 97 | 30.5 Ų | 30.5 | 45% | 0.453 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -64.7 | -35.3 | 179.7 | -62.3 | 78.3 | -169 | 0 | 0 | 111.2 | F429 G430 W437 | F429-E433 HydrophobicContact CB-CB 3.89Å; F429-E433 HydrophobicContact CG-CB 4.18Å; G430-E433 WeakPolarHBondContact CA-OE2 3.15Å; G430-E433 PolarHBondContact O-N 3.04Å; E433-W437 VanDerWaalsContact O-CB 3.31Å; E433-W437 WeakPolarHBondContact O-CB 3.36Å; E433-W437 PolarHBondContact O-N 2.91Å |
| 434 | T | 92.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.5 | -52.7 | 175 | -64.4 | 0 | 0 | 0 | 0 | 111.2 | R24 I40 F429 G430 Q432 I436 W437 I438 | R24-T434 PolarHBondContact NH1-OG1 3.03Å; I40-T434 HydrophobicContact CD1-CG2 4.46Å; I40-T434 HydrophobicContact CG1-CG2 4.43Å; F429-T434 PolarHBondContact O-OG1 3.19Å; G430-T434 VanDerWaalsContact O-CB 3.3Å; G430-T434 WeakPolarHBondContact O-CB 3.4Å; G430-T434 PolarHBondContact O-N 2.88Å; G430-T434 PolarHBondContact O-OG1 3.4Å; Q432-T434 VanDerWaalsContact C-N 3.27Å; Q432-T434 PolarHBondContact O-N 2.84Å; T434-I436 PolarHBondContact O-N 2.75Å; T434-W437 PolarHBondContact O-N 3.26Å; T434-I438 HydrophobicContact CG2-CD1 3.63Å; T434-I438 HydrophobicContact CG2-CG1 4.45Å; T434-I438 WeakPolarHBondContact O-CG1 3.29Å; T434-I438 PolarHBondContact O-N 2.99Å |
| 435 | V | 96.4 | Very high | 87 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.7 | -37.8 | -177.1 | -63.9 | 0 | 0 | 0 | 0 | 111.9 | I40 A58 A60 A224 Q226 P431 Q432 W437 I438 A439 | I40-V435 HydrophobicContact CD1-CG1 4.32Å; A58-V435 HydrophobicContact CB-CG1 4.26Å; A58-V435 HydrophobicContact CB-CG2 3.76Å; A60-V435 HydrophobicContact CB-CB 3.88Å; A60-V435 HydrophobicContact CB-CG2 3.75Å; A60-V435 WeakPolarHBondContact CB-O 3.06Å; A224-V435 HydrophobicContact CB-CB 3.88Å; A224-V435 HydrophobicContact CB-CG1 4.18Å; A224-V435 WeakPolarHBondContact CB-O 3.5Å; Q226-V435 HydrophobicContact CB-CG1 3.85Å; P431-V435 WeakPolarHBondContact O-CG2 3.24Å; P431-V435 PolarHBondContact O-N 2.83Å; P431-V435 VanDerWaalsContact O-N 3.1Å; Q432-V435 VanDerWaalsContact O-CG2 3.22Å; Q432-V435 WeakPolarHBondContact O-CG2 3.37Å; Q432-V435 PolarHBondContact O-N 2.79Å; V435-W437 PolarHBondContact O-N 3.42Å; V435-I438 PolarHBondContact O-N 3.07Å; V435-A439 VanDerWaalsContact O-CB 3.23Å; V435-A439 WeakPolarHBondContact O-CB 3.29Å; V435-A439 PolarHBondContact O-N 3Å |
| 436 | I | 95.1 | Very high | 88.2 | Confident | 39 Ų | 39 | 33.3 Ų | 33.3 | 20% | 0.2 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58 | -49.2 | 174.5 | -72.2 | 167.7 | 0 | 0 | 0 | 110.7 | A60 L115 Y117 Q432 T434 T440 | A60-I436 HydrophobicContact CB-CG1 4.49Å; L115-I436 HydrophobicContact CD2-CB 4.39Å; L115-I436 HydrophobicContact CD2-CG1 4.27Å; L115-I436 HydrophobicContact CD2-CG2 3.71Å; Y117-I436 HydrophobicContact CD1-CD1 3.92Å; Y117-I436 HydrophobicContact CD1-CG1 3.86Å; Y117-I436 HydrophobicContact CD2-CD1 3.58Å; Y117-I436 HydrophobicContact CD2-CG1 3.99Å; Y117-I436 HydrophobicContact CE1-CD1 3.94Å; Y117-I436 HydrophobicContact CE1-CG1 4.32Å; Y117-I436 HydrophobicContact CE2-CD1 3.56Å; Y117-I436 HydrophobicContact CE2-CG1 4.41Å; Y117-I436 HydrophobicContact CG-CD1 3.73Å; Y117-I436 HydrophobicContact CG-CG1 3.65Å; Q432-I436 HydrophobicContact CG-CD1 3.82Å; Q432-I436 WeakPolarHBondContact O-CB 3.26Å; Q432-I436 WeakPolarHBondContact O-CD1 3.47Å; Q432-I436 VanDerWaalsContact O-CG1 3.22Å; Q432-I436 WeakPolarHBondContact O-CG1 3.33Å; Q432-I436 PolarHBondContact O-N 3.08Å; T434-I436 PolarHBondContact O-N 2.75Å; I436-T440 WeakPolarHBondContact O-CB 3.15Å; I436-T440 PolarHBondContact O-N 2.76Å; I436-T440 PolarHBondContact O-OG1 2.93Å |
| 437 | W | 94.2 | Very high | 89.2 | Confident | 46 Ų | 46 | 32 Ų | 32 | 17% | 0.174 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.4 | -52.8 | 179.6 | 179.5 | -87.2 | 0 | 0 | 0 | 111.1 | M335 E433 T434 V435 T440 M441 V450 | M335-W437 HydrophobicContact CG-CH2 4.46Å; M335-W437 HydrophobicContact CG-CZ3 4.26Å; M335-W437 HydrophobicContact SD-CH2 3.78Å; M335-W437 HydrophobicContact SD-CZ2 4.41Å; M335-W437 HydrophobicContact SD-CZ3 3.89Å; E433-W437 VanDerWaalsContact O-CB 3.31Å; E433-W437 WeakPolarHBondContact O-CB 3.36Å; E433-W437 PolarHBondContact O-N 2.91Å; T434-W437 PolarHBondContact O-N 3.26Å; V435-W437 PolarHBondContact O-N 3.42Å; W437-T440 PolarHBondContact O-N 3.35Å; W437-M441 HydrophobicContact CD2-CG 4.25Å; W437-M441 HydrophobicContact CG-CG 4.38Å; W437-M441 HydrophobicContact CZ2-CG 4.16Å; W437-M441 HydrophobicContact CZ2-SD 4.44Å; W437-M441 WeakPolarHBondContact O-CB 3.13Å; W437-M441 WeakPolarHBondContact O-CG 3.25Å; W437-M441 PolarHBondContact O-N 3.05Å; W437-V450 PolarHBondContact NE1-O 2.92Å |
| 438 | I | 96.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.3 | -47.1 | -176.1 | -69.4 | 172.4 | 0 | 0 | 0 | 111.4 | Y26 M38 I40 A224 T434 V435 T440 M441 L442 V450 | Y26-I438 HydrophobicContact CE1-CD1 4.24Å; M38-I438 HydrophobicContact CB-CG2 3.54Å; M38-I438 HydrophobicContact CG-CD1 4.45Å; M38-I438 HydrophobicContact CG-CG2 3.65Å; I40-I438 HydrophobicContact CD1-CD1 3.68Å; I40-I438 HydrophobicContact CG1-CD1 3.88Å; A224-I438 HydrophobicContact CB-CB 3.87Å; A224-I438 HydrophobicContact CB-CG2 3.68Å; T434-I438 HydrophobicContact CG2-CD1 3.63Å; T434-I438 HydrophobicContact CG2-CG1 4.45Å; T434-I438 WeakPolarHBondContact O-CG1 3.29Å; T434-I438 PolarHBondContact O-N 2.99Å; V435-I438 PolarHBondContact O-N 3.07Å; I438-T440 PolarHBondContact O-N 2.86Å; I438-M441 PolarHBondContact O-N 2.83Å; I438-L442 HydrophobicContact CG2-CD1 3.96Å; I438-L442 HydrophobicContact CG2-CG 4.23Å; I438-L442 VanDerWaalsContact O-CG 3.29Å; I438-L442 WeakPolarHBondContact O-CG 3.35Å; I438-L442 PolarHBondContact O-N 2.83Å; I438-V450 HydrophobicContact CB-CG2 4.32Å; I438-V450 HydrophobicContact CG1-CG1 4.37Å; I438-V450 HydrophobicContact CG1-CG2 4.28Å; I438-V450 HydrophobicContact CG2-CG2 4.11Å |
| 439 | A | 97.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.7 | -40.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A60 C62 L115 T222 A224 V435 | A60-A439 HydrophobicContact CB-CB 3.84Å; C62-A439 HydrophobicContact CB-CB 4.13Å; L115-A439 HydrophobicContact CD1-CB 4.29Å; T222-A439 WeakPolarHBondContact CB-O 3.36Å; T222-A439 PolarHBondContact OG1-O 3.33Å; A224-A439 HydrophobicContact CB-CB 4.03Å; V435-A439 VanDerWaalsContact O-CB 3.23Å; V435-A439 WeakPolarHBondContact O-CB 3.29Å; V435-A439 PolarHBondContact O-N 3Å |
| 440 | T | 94.9 | Very high | 92 | Very high | 28 Ų | 28 | 29.1 Ų | 29.1 | 17% | 0.172 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69 | -47.3 | 176.4 | -49.1 | 0 | 0 | 0 | 0 | 111.5 | I436 W437 I438 L442 H443 H444 | I436-T440 WeakPolarHBondContact O-CB 3.15Å; I436-T440 PolarHBondContact O-N 2.76Å; I436-T440 PolarHBondContact O-OG1 2.93Å; W437-T440 PolarHBondContact O-N 3.35Å; I438-T440 PolarHBondContact O-N 2.86Å; T440-L442 PolarHBondContact O-N 2.84Å; T440-H443 PolarHBondContact O-N 3.12Å; T440-H444 PolarHBondContact O-CD2 2.95Å |
| 441 | M | 93.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.5 | -28.6 | -174.8 | -73 | -54.5 | 92.4 | 0 | 0 | 114.9 | M335 W437 I438 H443 H444 T445 V450 Y454 | M335-M441 HydrophobicContact CE-CE 3.41Å; M335-M441 VanDerWaalsContact CE-CE 3.41Å; M335-M441 HydrophobicContact CE-SD 3.53Å; M335-M441 VanDerWaalsContact CE-SD 3.53Å; M335-M441 HydrophobicContact SD-CE 3.09Å; M335-M441 WeakPolarHBondContact SD-CE 3.24Å; M335-M441 HydrophobicContact SD-SD 3.51Å; W437-M441 HydrophobicContact CD2-CG 4.25Å; W437-M441 HydrophobicContact CG-CG 4.38Å; W437-M441 HydrophobicContact CZ2-CG 4.16Å; W437-M441 HydrophobicContact CZ2-SD 4.44Å; W437-M441 WeakPolarHBondContact O-CB 3.13Å; W437-M441 WeakPolarHBondContact O-CG 3.25Å; W437-M441 PolarHBondContact O-N 3.05Å; I438-M441 PolarHBondContact O-N 2.83Å; M441-H443 PolarHBondContact O-N 2.97Å; M441-H444 PolarHBondContact O-N 3.26Å; M441-T445 PolarHBondContact O-N 3.22Å; M441-T445 PolarHBondContact O-OG1 3Å; M441-T445 VanDerWaalsContact O-OG1 3.04Å; M441-T445 HydrophobicContact SD-CG2 4.36Å; M441-V450 HydrophobicContact CB-CG2 3.53Å; M441-Y454 HydrophobicContact SD-CD2 4.19Å; M441-Y454 HydrophobicContact SD-CE2 4.1Å |
| 442 | L | 94.9 | Very high | 93 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -14.1 | 175.5 | -73.2 | 170.4 | 0 | 0 | 0 | 114.5 | K36 M38 T222 I438 T440 P447 V450 | K36-L442 PolarHBondContact NZ-O 2.75Å; M38-L442 HydrophobicContact CB-CD1 3.88Å; M38-L442 HydrophobicContact CE-CD2 4.08Å; T222-L442 HydrophobicContact CG2-CB 3.42Å; T222-L442 VanDerWaalsContact CG2-CB 3.42Å; T222-L442 HydrophobicContact CG2-CD1 4.42Å; I438-L442 HydrophobicContact CG2-CD1 3.96Å; I438-L442 HydrophobicContact CG2-CG 4.23Å; I438-L442 VanDerWaalsContact O-CG 3.29Å; I438-L442 WeakPolarHBondContact O-CG 3.35Å; I438-L442 PolarHBondContact O-N 2.83Å; T440-L442 PolarHBondContact O-N 2.84Å; L442-P447 HydrophobicContact CD2-CB 4.38Å; L442-P447 HydrophobicContact CD2-CG 4.38Å; L442-V450 HydrophobicContact CD2-CG2 4.31Å; L442-V450 HydrophobicContact CG-CG2 4.25Å |
| 443 | H | 92.8 | Very high | 93.2 | Very high | 38 Ų | 38 | 26.4 Ų | 26.4 | 18% | 0.176 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -26.9 | 169.9 | -73.8 | -53.3 | 0 | 0 | 0 | 113.4 | C62 H113 R220 T222 T440 M441 | C62-H443 PolarHBondContact O-NE2 2.69Å; H113-H443 AromaticContact CD2-CD2 3.86Å; R220-H443 PolarHBondContact O-CE1 3.5Å; T222-H443 WeakPolarHBondContact CG2-CE1 3.19Å; T222-H443 PolarHBondContact OG1-CD2 2.85Å; T222-H443 PolarHBondContact OG1-NE2 3.05Å; T440-H443 PolarHBondContact O-N 3.12Å; M441-H443 PolarHBondContact O-N 2.97Å |
| 444 | H | 89.9 | Confident | 93.2 | Very high | 43 Ų | 43 | 23 Ų | 23 | 20% | 0.199 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -23.4 | -169.2 | -61.5 | -70.6 | 0 | 0 | 0 | 113.9 | H113 T440 M441 | H113-H444 AromaticContact CE1-CE1 3.44Å; H113-H444 PolarHBondContact CE1-CE1 3.04Å; H113-H444 VanDerWaalsContact CE1-CE1 3.44Å; H113-H444 AromaticContact CE1-NE2 3.32Å; H113-H444 PolarHBondContact CE1-NE2 3.16Å; H113-H444 VanDerWaalsContact CE1-NE2 3.32Å; H113-H444 AromaticContact NE2-CE1 3.72Å; H113-H444 AromaticContact NE2-NE2 3.49Å; H113-H444 PolarHBondContact NE2-NE2 3.41Å; T440-H444 PolarHBondContact O-CD2 2.95Å; M441-H444 PolarHBondContact O-N 3.26Å |
| 445 | T | 92.5 | Very high | 93 | Very high | 12 Ų | 12 | 25.4 Ų | 25.4 | 7% | 0.074 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -131.7 | 163.6 | -167.6 | 69.9 | 0 | 0 | 0 | 0 | 111.6 | Y295 M441 A453 Y454 | Y295-T445 HydrophobicContact CD1-CG2 4.14Å; Y295-T445 HydrophobicContact CD2-CG2 4.27Å; Y295-T445 HydrophobicContact CE1-CG2 4.34Å; Y295-T445 HydrophobicContact CE2-CG2 4.48Å; Y295-T445 HydrophobicContact CG-CG2 4.1Å; M441-T445 PolarHBondContact O-N 3.22Å; M441-T445 PolarHBondContact O-OG1 3Å; M441-T445 VanDerWaalsContact O-OG1 3.04Å; M441-T445 HydrophobicContact SD-CG2 4.36Å; T445-A453 HydrophobicContact CG2-CB 3.32Å; T445-Y454 HydrophobicContact CG2-CE2 4.07Å |
| 446 | L | 92.9 | Very high | 92.7 | Very high | 89 Ų | 89 | 25.8 Ų | 25.8 | 47% | 0.466 | 13% | 0.127 | S | C | . | . | trans | -69.6 | 146.3 | 169.5 | -64.6 | 174.7 | 0 | 0 | 0 | 110 | Y295 K448 D449 V450 | Y295-L446 WeakPolarHBondContact OH-CG 3.32Å; Y295-L446 PolarHBondContact OH-N 3.36Å; L446-K448 HydrophobicContact CB-CG 4.03Å; L446-K448 PolarHBondContact O-N 3.43Å; L446-K448 VanDerWaalsContact O-N 3.08Å; L446-D449 PolarHBondContact O-N 2.91Å; L446-V450 PolarHBondContact O-N 3.37Å | ||
| 447 | P | 93.3 | Very high | 92.6 | Very high | 37 Ų | 37 | 24.1 Ų | 24.1 | 24% | 0.24 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -54.4 | -34.1 | -179.4 | -28 | 34.8 | 0 | 0 | 0 | 114.1 | H28 M38 L442 D449 V450 | H28-P447 HydrophobicContact CB-CB 4.1Å; M38-P447 HydrophobicContact CE-CB 4.1Å; L442-P447 HydrophobicContact CD2-CB 4.38Å; L442-P447 HydrophobicContact CD2-CG 4.38Å; P447-D449 PolarHBondContact O-N 2.97Å; P447-V450 PolarHBondContact O-N 3.44Å |
| 448 | K | 93.3 | Very high | 92.4 | Very high | 101 Ų | 101 | 24.2 Ų | 24.2 | 44% | 0.439 | 12% | 0.12 | S | C | . | . | G | 310 helix | trans | -64.6 | -24.3 | 177 | 61.8 | 166.5 | -168.1 | 178 | 0 | 113.9 | G15 E17 L446 | G15-K448 WeakPolarHBondContact O-CB 3.5Å; E17-K448 PolarHBondContact N-O 2.91Å; L446-K448 HydrophobicContact CB-CG 4.03Å; L446-K448 PolarHBondContact O-N 3.43Å; L446-K448 VanDerWaalsContact O-N 3.08Å |
| 449 | D | 93.4 | Very high | 92.2 | Very high | 5 Ų | 5 | 27.7 Ų | 27.7 | 3% | 0.027 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -108.4 | 6 | -173.5 | -56.6 | -42.5 | 0 | 0 | 0 | 112.2 | Y295 L446 P447 H451 S452 A453 K458 | Y295-D449 HydrophobicContact CE2-CB 3.73Å; Y295-D449 PolarHBondContact OH-OD2 3.32Å; L446-D449 PolarHBondContact O-N 2.91Å; P447-D449 PolarHBondContact O-N 2.97Å; D449-H451 PolarHBondContact O-N 3.13Å; D449-S452 PolarHBondContact O-N 3.22Å; D449-S452 VanDerWaalsContact O-N 3.08Å; D449-A453 VanDerWaalsContact O-CB 3.27Å; D449-A453 WeakPolarHBondContact O-CB 3.45Å; D449-A453 PolarHBondContact O-N 3.1Å; D449-K458 WeakPolarHBondContact OD1-CE 3.5Å; D449-K458 IonicContact OD1-NZ 3.59Å; D449-K458 PolarHBondContact OD1-NZ 3.47Å |
| 450 | V | 92.8 | Very high | 92 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -29.9 | -169.8 | 77.5 | 0 | 0 | 0 | 0 | 113.4 | I16 M38 W437 I438 M441 L442 L446 P447 | I16-V450 HydrophobicContact CG2-CG1 4.35Å; M38-V450 HydrophobicContact CE-CG1 4.21Å; W437-V450 PolarHBondContact NE1-O 2.92Å; I438-V450 HydrophobicContact CB-CG2 4.32Å; I438-V450 HydrophobicContact CG1-CG1 4.37Å; I438-V450 HydrophobicContact CG1-CG2 4.28Å; I438-V450 HydrophobicContact CG2-CG2 4.11Å; M441-V450 HydrophobicContact CB-CG2 3.53Å; L442-V450 HydrophobicContact CD2-CG2 4.31Å; L442-V450 HydrophobicContact CG-CG2 4.25Å; L446-V450 PolarHBondContact O-N 3.37Å; P447-V450 PolarHBondContact O-N 3.44Å |
| 451 | H | 91.4 | Very high | 92 | Very high | 15 Ų | 15 | 31.1 Ų | 31.1 | 7% | 0.069 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -33.7 | 177.8 | -75.6 | -76.9 | 0 | 0 | 0 | 113.9 | L18 Y26 F423 D449 L455 | L18-H451 VanDerWaalsContact CD2-CD2 3.49Å; L18-H451 WeakPolarHBondContact CD2-CD2 3.49Å; Y26-H451 AromaticContact CE1-NE2 3.36Å; Y26-H451 WeakPolarHBondContact CE1-NE2 3.35Å; Y26-H451 AromaticContact CZ-NE2 3.65Å; Y26-H451 PolarHBondContact OH-NE2 3.42Å; F423-H451 HydrophobicContact CE2-CB 4.26Å; F423-H451 WeakPolarHBondContact CE2-O 3.13Å; F423-H451 HydrophobicContact CZ-CB 4.18Å; D449-H451 PolarHBondContact O-N 3.13Å; H451-L455 WeakPolarHBondContact O-CD1 3.48Å |
| 452 | S | 91.6 | Very high | 92 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | -20 | -170.5 | 61.2 | 0 | 0 | 0 | 0 | 114.2 | E17 D449 Y454 L455 I456 K458 | E17-S452 WeakPolarHBondContact OE2-CB 3.47Å; E17-S452 PolarHBondContact OE2-OG 3.29Å; D449-S452 PolarHBondContact O-N 3.22Å; D449-S452 VanDerWaalsContact O-N 3.08Å; S452-Y454 PolarHBondContact O-N 2.92Å; S452-L455 WeakPolarHBondContact O-CB 3.48Å; S452-L455 PolarHBondContact O-N 3.43Å; S452-I456 PolarHBondContact O-N 3.44Å; S452-K458 VanDerWaalsContact OG-CE 3.26Å; S452-K458 WeakPolarHBondContact OG-CE 3.44Å; S452-K458 PolarHBondContact OG-NZ 3.41Å |
| 453 | A | 90.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 138.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y295 T445 D449 L455 | Y295-A453 HydrophobicContact CD2-CB 3.51Å; Y295-A453 HydrophobicContact CE2-CB 4.01Å; Y295-A453 HydrophobicContact CG-CB 4.17Å; T445-A453 HydrophobicContact CG2-CB 3.32Å; D449-A453 VanDerWaalsContact O-CB 3.27Å; D449-A453 WeakPolarHBondContact O-CB 3.45Å; D449-A453 PolarHBondContact O-N 3.1Å; A453-L455 PolarHBondContact O-N 2.97Å |
| 454 | Y | 88 | Confident | 91.9 | Very high | 25 Ų | 25 | 36.2 Ų | 36.2 | 10% | 0.098 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | -4.9 | -175 | -50.1 | -77.4 | 0 | 0 | 0 | 116.4 | C292 N298 A334 M335 M441 T445 S452 | C292-Y454 PolarHBondContact O-OH 3.24Å; N298-Y454 PolarHBondContact ND2-O 2.99Å; A334-Y454 HydrophobicContact CB-CD1 3.47Å; A334-Y454 VanDerWaalsContact CB-CD1 3.47Å; A334-Y454 HydrophobicContact CB-CD2 4.33Å; A334-Y454 HydrophobicContact CB-CE1 3.8Å; A334-Y454 HydrophobicContact CB-CG 3.75Å; M335-Y454 HydrophobicContact CE-CD2 3.25Å; M335-Y454 HydrophobicContact CE-CE2 3.4Å; M335-Y454 HydrophobicContact CE-CG 3.96Å; M441-Y454 HydrophobicContact SD-CD2 4.19Å; M441-Y454 HydrophobicContact SD-CE2 4.1Å; T445-Y454 HydrophobicContact CG2-CE2 4.07Å; S452-Y454 PolarHBondContact O-N 2.92Å |
| 455 | L | 88.2 | Confident | 92.2 | Very high | 53 Ų | 53 | 34.3 Ų | 34.3 | 28% | 0.277 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -31.1 | 175.8 | -58.1 | 177.2 | 0 | 0 | 0 | 112.6 | F423 H451 S452 A453 | F423-L455 HydrophobicContact CD2-CB 4.38Å; F423-L455 HydrophobicContact CD2-CD1 3.95Å; F423-L455 HydrophobicContact CE2-CD1 4.24Å; H451-L455 WeakPolarHBondContact O-CD1 3.48Å; S452-L455 WeakPolarHBondContact O-CB 3.48Å; S452-L455 PolarHBondContact O-N 3.43Å; A453-L455 PolarHBondContact O-N 2.97Å |
| 456 | I | 90.2 | Very high | 92.3 | Very high | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.036 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -124.3 | 140.9 | 176.2 | 68.2 | 177.1 | 0 | 0 | 0 | 110 | E17 Q419 F423 S452 K458 | E17-I456 WeakPolarHBondContact OE2-CD1 3.09Å; Q419-I456 HydrophobicContact CB-CG2 4.31Å; F423-I456 HydrophobicContact CB-CG2 3.45Å; F423-I456 VanDerWaalsContact CB-CG2 3.45Å; F423-I456 HydrophobicContact CD1-CG2 4.38Å; F423-I456 HydrophobicContact CG-CG2 3.9Å; S452-I456 PolarHBondContact O-N 3.44Å; I456-K458 HydrophobicContact CD1-CG 4.14Å; I456-K458 HydrophobicContact CG1-CG 3.99Å; I456-K458 PolarHBondContact O-N 3.31Å |
| 457 | I | 91.7 | Very high | 92.4 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | trans | -75.2 | 115 | 163 | -63.9 | 162.3 | 0 | 0 | 0 | 106.8 | E296 N298 V302 Y415 Q416 L460 | E296-I457 CarbonylContact O-C 3.59Å; N298-I457 HydrophobicContact CB-CG1 4.3Å; V302-I457 HydrophobicContact CG2-CD1 3.68Å; Y415-I457 HydrophobicContact CD1-CD1 3.81Å; Y415-I457 HydrophobicContact CE1-CD1 3.91Å; Q416-I457 HydrophobicContact CG-CB 4.31Å; Q416-I457 VanDerWaalsContact CG-O 3.26Å; Q416-I457 WeakPolarHBondContact CG-O 3.41Å; Q416-I457 PolarHBondContact NE2-O 2.82Å; I457-L460 HydrophobicContact CG2-CD2 3.92Å | ||
| 458 | K | 91 | Very high | 92.6 | Very high | 49 Ų | 49 | 33.9 Ų | 33.9 | 21% | 0.213 | 17% | 0.166 | C | C | . | . | trans | -85 | -40.1 | 177 | -68.6 | 169.5 | 168.1 | -85.5 | 0 | 111 | E17 Y295 E296 Q416 D449 S452 I456 | E17-K458 IonicContact OE1-NZ 3.74Å; E17-K458 WeakPolarHBondContact OE2-CE 3.35Å; E17-K458 IonicContact OE2-NZ 3.42Å; E17-K458 PolarHBondContact OE2-NZ 3.29Å; Y295-K458 HydrophobicContact CE2-CD 4.36Å; E296-K458 HydrophobicContact CB-CB 4.1Å; E296-K458 HydrophobicContact CB-CD 4.38Å; E296-K458 HydrophobicContact CG-CB 4.49Å; E296-K458 HydrophobicContact CG-CD 4Å; E296-K458 WeakPolarHBondContact O-CA 3.34Å; E296-K458 PolarHBondContact O-N 3.49Å; Q416-K458 PolarHBondContact NE2-O 3.03Å; D449-K458 WeakPolarHBondContact OD1-CE 3.5Å; D449-K458 IonicContact OD1-NZ 3.59Å; D449-K458 PolarHBondContact OD1-NZ 3.47Å; S452-K458 VanDerWaalsContact OG-CE 3.26Å; S452-K458 WeakPolarHBondContact OG-CE 3.44Å; S452-K458 PolarHBondContact OG-NZ 3.41Å; I456-K458 HydrophobicContact CD1-CG 4.14Å; I456-K458 HydrophobicContact CG1-CG 3.99Å; I456-K458 PolarHBondContact O-N 3.31Å | ||
| 459 | T | 92.7 | Very high | 92.7 | Very high | 73 Ų | 73 | 29.4 Ų | 29.4 | 45% | 0.448 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -132.1 | 122.1 | -174.8 | -51.3 | 0 | 0 | 0 | 0 | 109.8 | E296 S297 D461 Y465 | E296-T459 PolarHBondContact O-N 3.03Å; E296-T459 VanDerWaalsContact O-N 3.09Å; S297-T459 VanDerWaalsContact CA-O 3.28Å; S297-T459 WeakPolarHBondContact CA-O 3.4Å; S297-T459 WeakPolarHBondContact CB-O 3.44Å; T459-D461 PolarHBondContact O-N 3.46Å; T459-Y465 PolarHBondContact O-OH 3.43Å |
| 460 | L | 92.8 | Very high | 92.7 | Very high | 35 Ų | 35 | 31.4 Ų | 31.4 | 18% | 0.183 | 16% | 0.157 | C | C | . | . | trans | -77 | 112.8 | 172.6 | -67.2 | 172.4 | 0 | 0 | 0 | 109 | L412 R413 I457 F462 Y465 | L412-L460 HydrophobicContact CB-CD2 3.83Å; L412-L460 HydrophobicContact CD1-CD2 4.36Å; R413-L460 HydrophobicContact CG-CD1 3.74Å; I457-L460 HydrophobicContact CG2-CD2 3.92Å; L460-F462 HydrophobicContact CB-CE2 4.1Å; L460-F462 HydrophobicContact CB-CZ 3.96Å; L460-F462 HydrophobicContact CD1-CZ 4.08Å; L460-F462 HydrophobicContact CG-CZ 4.5Å; L460-Y465 HydrophobicContact CD2-CE2 4.31Å | ||
| 461 | D | 93.8 | Very high | 92.8 | Very high | 64 Ų | 64 | 33.8 Ų | 33.8 | 34% | 0.342 | 17% | 0.172 | S | C | . | . | trans | -117.1 | 86.6 | 176.7 | -175.5 | -14.1 | 0 | 0 | 0 | 109.8 | T459 Q463 M464 Y465 | T459-D461 PolarHBondContact O-N 3.46Å; D461-Q463 PolarHBondContact O-N 3.05Å; D461-Q463 PolarHBondContact OD1-N 3.44Å; D461-M464 HydrophobicContact CB-CB 4.12Å; D461-M464 HydrophobicContact CB-CE 4.16Å; D461-M464 VanDerWaalsContact CG-CB 3.45Å; D461-M464 PolarHBondContact O-N 2.97Å; D461-M464 PolarHBondContact OD1-N 2.75Å; D461-Y465 WeakPolarHBondContact O-CD2 3.43Å; D461-Y465 WeakPolarHBondContact O-CE2 3.34Å; D461-Y465 PolarHBondContact O-N 2.88Å | ||
| 462 | F | 93.9 | Very high | 93 | Very high | 33 Ų | 33 | 33.1 Ų | 33.1 | 15% | 0.145 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.7 | -32.6 | -177.7 | -60.6 | -68.5 | 0 | 0 | 0 | 113.1 | A381 C382 F408 D409 L412 L460 Y465 S466 | A381-F462 HydrophobicContact CB-CD1 3.98Å; A381-F462 HydrophobicContact CB-CE1 4.41Å; A381-F462 HydrophobicContact CB-CG 4.29Å; C382-F462 VanDerWaalsContact SG-CB 3.6Å; C382-F462 PolarHBondContact SG-O 2.94Å; F408-F462 HydrophobicContact CD1-CD1 4.14Å; F408-F462 HydrophobicContact CD1-CE1 4.36Å; F408-F462 HydrophobicContact CE1-CD1 4.35Å; D409-F462 HydrophobicContact CB-CE1 4.07Å; D409-F462 HydrophobicContact CB-CZ 3.9Å; D409-F462 WeakPolarHBondContact OD1-CZ 3.47Å; L412-F462 HydrophobicContact CD1-CD1 4.41Å; L412-F462 HydrophobicContact CD1-CE1 4.03Å; L460-F462 HydrophobicContact CB-CE2 4.1Å; L460-F462 HydrophobicContact CB-CZ 3.96Å; L460-F462 HydrophobicContact CD1-CZ 4.08Å; L460-F462 HydrophobicContact CG-CZ 4.5Å; F462-Y465 HydrophobicContact CD1-CD2 4.19Å; F462-Y465 PolarHBondContact O-N 3.21Å; F462-S466 WeakPolarHBondContact O-CB 3.42Å; F462-S466 PolarHBondContact O-N 2.93Å |
| 463 | Q | 93.7 | Very high | 93 | Very high | 97 Ų | 97 | 33.2 Ų | 33.2 | 45% | 0.453 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.5 | -49 | 179.5 | -179.3 | 61.8 | 31.3 | 0 | 0 | 109.8 | D461 Y465 S466 E467 | D461-Q463 PolarHBondContact O-N 3.05Å; D461-Q463 PolarHBondContact OD1-N 3.44Å; Q463-Y465 PolarHBondContact O-N 2.9Å; Q463-S466 WeakPolarHBondContact O-CB 3.09Å; Q463-S466 PolarHBondContact O-N 2.86Å; Q463-E467 WeakPolarHBondContact CG-OE1 3.46Å; Q463-E467 PolarHBondContact NE2-OE1 3.47Å; Q463-E467 WeakPolarHBondContact O-CG 3.34Å; Q463-E467 PolarHBondContact O-N 3.06Å |
| 464 | M | 93.6 | Very high | 93 | Very high | 19 Ų | 19 | 38.7 Ų | 38.7 | 9% | 0.094 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.7 | -39.2 | 177.3 | -179.1 | -155.4 | 60.8 | 0 | 0 | 112.2 | L294 S297 P299 D461 S466 E467 L468 | L294-M464 HydrophobicContact CB-SD 4.04Å; L294-M464 HydrophobicContact CD1-CG 4.31Å; L294-M464 HydrophobicContact CD1-SD 3.67Å; L294-M464 HydrophobicContact CD2-SD 4.04Å; L294-M464 HydrophobicContact CG-SD 4.11Å; S297-M464 WeakPolarHBondContact OG-CE 3.23Å; S297-M464 PolarHBondContact OG-SD 3.26Å; P299-M464 HydrophobicContact CB-CE 3.56Å; P299-M464 HydrophobicContact CB-SD 4.21Å; P299-M464 HydrophobicContact CG-CE 3.81Å; P299-M464 HydrophobicContact CG-SD 3.91Å; D461-M464 HydrophobicContact CB-CB 4.12Å; D461-M464 HydrophobicContact CB-CE 4.16Å; D461-M464 VanDerWaalsContact CG-CB 3.45Å; D461-M464 PolarHBondContact O-N 2.97Å; D461-M464 PolarHBondContact OD1-N 2.75Å; M464-S466 VanDerWaalsContact C-N 3.33Å; M464-E467 PolarHBondContact O-N 3.33Å; M464-L468 PolarHBondContact O-N 3.37Å |
| 465 | Y | 95.5 | Very high | 93.1 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.8 | -43.9 | 174 | -56.7 | -36.7 | 0 | 0 | 0 | 111.5 | S297 P299 V302 F408 L412 T459 L460 D461 F462 Q463 L468 L469 | S297-Y465 VanDerWaalsContact O-CE1 3.28Å; S297-Y465 WeakPolarHBondContact O-CE1 3.45Å; S297-Y465 PolarHBondContact O-OH 2.97Å; P299-Y465 HydrophobicContact CB-CD1 3.97Å; P299-Y465 HydrophobicContact CB-CE1 4.19Å; V302-Y465 HydrophobicContact CB-CD1 4.23Å; V302-Y465 HydrophobicContact CB-CE1 4.25Å; V302-Y465 HydrophobicContact CG1-CD1 4.31Å; V302-Y465 HydrophobicContact CG1-CG 4.32Å; V302-Y465 HydrophobicContact CG2-CD1 4.11Å; V302-Y465 HydrophobicContact CG2-CE1 3.66Å; V302-Y465 HydrophobicContact CG2-CE2 4.28Å; F408-Y465 HydrophobicContact CE1-CD2 4.25Å; L412-Y465 HydrophobicContact CD1-CD2 3.6Å; L412-Y465 HydrophobicContact CD1-CE2 3.59Å; T459-Y465 PolarHBondContact O-OH 3.43Å; L460-Y465 HydrophobicContact CD2-CE2 4.31Å; D461-Y465 WeakPolarHBondContact O-CD2 3.43Å; D461-Y465 WeakPolarHBondContact O-CE2 3.34Å; D461-Y465 PolarHBondContact O-N 2.88Å; F462-Y465 HydrophobicContact CD1-CD2 4.19Å; F462-Y465 PolarHBondContact O-N 3.21Å; Q463-Y465 PolarHBondContact O-N 2.9Å; Y465-L468 PolarHBondContact O-N 3.16Å; Y465-L469 WeakPolarHBondContact O-CB 3.41Å; Y465-L469 WeakPolarHBondContact O-CD1 3.26Å; Y465-L469 VanDerWaalsContact O-CG 3.26Å; Y465-L469 WeakPolarHBondContact O-CG 3.44Å; Y465-L469 PolarHBondContact O-N 3.25Å |
| 466 | S | 94.9 | Very high | 93.3 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.028 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.7 | -47.6 | 177 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | N379 F462 Q463 M464 L468 L469 D470 | N379-S466 PolarHBondContact ND2-OG 2.97Å; N379-S466 VanDerWaalsContact ND2-OG 3.11Å; N379-S466 PolarHBondContact OD1-OG 3.11Å; F462-S466 WeakPolarHBondContact O-CB 3.42Å; F462-S466 PolarHBondContact O-N 2.93Å; Q463-S466 WeakPolarHBondContact O-CB 3.09Å; Q463-S466 PolarHBondContact O-N 2.86Å; M464-S466 VanDerWaalsContact C-N 3.33Å; S466-L468 PolarHBondContact O-N 3.27Å; S466-L469 PolarHBondContact O-N 3.44Å; S466-D470 WeakPolarHBondContact O-CB 3.33Å; S466-D470 PolarHBondContact O-N 3.14Å |
| 467 | E | 95.1 | Very high | 93.4 | Very high | 105 Ų | 105 | 38.9 Ų | 38.9 | 49% | 0.491 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.4 | -42.3 | 179.2 | -74.9 | 173.3 | -171.2 | 0 | 0 | 112.6 | Q463 M464 T471 | Q463-E467 WeakPolarHBondContact CG-OE1 3.46Å; Q463-E467 PolarHBondContact NE2-OE1 3.47Å; Q463-E467 WeakPolarHBondContact O-CG 3.34Å; Q463-E467 PolarHBondContact O-N 3.06Å; M464-E467 PolarHBondContact O-N 3.33Å; E467-T471 WeakPolarHBondContact O-CB 3.39Å; E467-T471 PolarHBondContact O-N 3.21Å; E467-T471 PolarHBondContact O-OG1 3.28Å |
| 468 | L | 96 | Very high | 93.6 | Very high | 20 Ų | 20 | 38.7 Ų | 38.7 | 11% | 0.105 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.3 | -49.7 | 175.9 | 178.9 | 62.7 | 0 | 0 | 0 | 111 | V288 P299 V300 I347 M464 Y465 S466 D470 T471 L472 | V288-L468 HydrophobicContact CG1-CD1 4.37Å; V288-L468 HydrophobicContact CG2-CD1 4.16Å; P299-L468 HydrophobicContact CB-CD2 3.77Å; P299-L468 HydrophobicContact CG-CD2 4.46Å; V300-L468 HydrophobicContact CG2-CD2 4.49Å; I347-L468 HydrophobicContact CD1-CD1 3.83Å; I347-L468 HydrophobicContact CD1-CD2 4.18Å; M464-L468 PolarHBondContact O-N 3.37Å; Y465-L468 PolarHBondContact O-N 3.16Å; S466-L468 PolarHBondContact O-N 3.27Å; L468-D470 VanDerWaalsContact C-N 3.31Å; L468-D470 PolarHBondContact O-N 3.31Å; L468-T471 WeakPolarHBondContact O-CB 3.49Å; L468-T471 PolarHBondContact O-N 3.27Å; L468-L472 HydrophobicContact CD1-CD1 4.17Å; L468-L472 HydrophobicContact CD1-CG 4.16Å; L468-L472 HydrophobicContact CG-CD1 4.05Å; L468-L472 HydrophobicContact CG-CG 4.42Å; L468-L472 VanDerWaalsContact O-CG 3.31Å; L468-L472 WeakPolarHBondContact O-CG 3.49Å; L468-L472 PolarHBondContact O-N 2.69Å |
| 469 | L | 96 | Very high | 93.9 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.5 | -40.3 | -179.5 | -71.6 | 166.1 | 0 | 0 | 0 | 111.6 | L303 L371 L374 A378 F408 Y465 S466 L472 S473 | L303-L469 HydrophobicContact CD1-CD2 3.88Å; L371-L469 HydrophobicContact CD2-CD2 4.36Å; L374-L469 HydrophobicContact CB-CD1 3.97Å; L374-L469 HydrophobicContact CB-CD2 3.99Å; L374-L469 HydrophobicContact CD1-CD2 4.14Å; A378-L469 HydrophobicContact CB-CD1 3.92Å; F408-L469 HydrophobicContact CE2-CD1 4.2Å; F408-L469 HydrophobicContact CZ-CD1 4.04Å; Y465-L469 WeakPolarHBondContact O-CB 3.41Å; Y465-L469 WeakPolarHBondContact O-CD1 3.26Å; Y465-L469 VanDerWaalsContact O-CG 3.26Å; Y465-L469 WeakPolarHBondContact O-CG 3.44Å; Y465-L469 PolarHBondContact O-N 3.25Å; S466-L469 PolarHBondContact O-N 3.44Å; L469-L472 PolarHBondContact O-N 3.49Å; L469-S473 VanDerWaalsContact O-CB 3.23Å; L469-S473 WeakPolarHBondContact O-CB 3.43Å; L469-S473 PolarHBondContact O-N 2.81Å; L469-S473 PolarHBondContact O-OG 3.24Å |
| 470 | D | 94.2 | Very high | 94 | Very high | 47 Ų | 47 | 33 Ų | 33 | 25% | 0.251 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.3 | -46.3 | 175.6 | -169.1 | 64.7 | 0 | 0 | 0 | 111.1 | S466 L468 S473 K474 | S466-D470 WeakPolarHBondContact O-CB 3.33Å; S466-D470 PolarHBondContact O-N 3.14Å; L468-D470 VanDerWaalsContact C-N 3.31Å; L468-D470 PolarHBondContact O-N 3.31Å; D470-S473 PolarHBondContact O-N 3.36Å; D470-S473 PolarHBondContact O-OG 3.41Å; D470-K474 WeakPolarHBondContact O-CG 3.35Å; D470-K474 PolarHBondContact O-N 2.81Å; D470-K474 VanDerWaalsContact O-N 3.1Å; D470-K474 WeakPolarHBondContact OD1-CE 3.05Å; D470-K474 IonicContact OD1-NZ 3.03Å; D470-K474 PolarHBondContact OD1-NZ 2.93Å; D470-K474 WeakPolarHBondContact OD2-CE 3.42Å; D470-K474 IonicContact OD2-NZ 2.74Å; D470-K474 PolarHBondContact OD2-NZ 3.38Å |
| 471 | T | 94.3 | Very high | 94.1 | Very high | 51 Ų | 51 | 31.8 Ų | 31.8 | 31% | 0.313 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -57.2 | -52.2 | 175.1 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | V288 E467 L468 S473 K474 Q475 | V288-T471 HydrophobicContact CG1-CG2 4.17Å; E467-T471 WeakPolarHBondContact O-CB 3.39Å; E467-T471 PolarHBondContact O-N 3.21Å; E467-T471 PolarHBondContact O-OG1 3.28Å; L468-T471 WeakPolarHBondContact O-CB 3.49Å; L468-T471 PolarHBondContact O-N 3.27Å; T471-S473 VanDerWaalsContact C-N 3.26Å; T471-S473 PolarHBondContact O-N 3.4Å; T471-K474 PolarHBondContact O-N 3.36Å; T471-Q475 WeakPolarHBondContact O-CB 3.39Å; T471-Q475 PolarHBondContact O-N 2.96Å |
| 472 | L | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.6 | -33.6 | 179.4 | -65.3 | 175.8 | 0 | 0 | 0 | 112.3 | W286 V288 L303 Y368 L371 L468 L469 | W286-L472 HydrophobicContact CB-CD2 3.57Å; W286-L472 HydrophobicContact CD2-CD2 3.66Å; W286-L472 HydrophobicContact CE3-CD2 4.19Å; W286-L472 HydrophobicContact CG-CD2 3.38Å; W286-L472 PolarHBondContact NE1-O 3.23Å; V288-L472 HydrophobicContact CG1-CD2 3.96Å; L303-L472 HydrophobicContact CD1-CD1 4.41Å; L303-L472 HydrophobicContact CD2-CD1 3.55Å; Y368-L472 VanDerWaalsContact CE1-O 3.27Å; Y368-L472 WeakPolarHBondContact CE1-O 3.13Å; L371-L472 HydrophobicContact CD1-CB 4.15Å; L468-L472 HydrophobicContact CD1-CD1 4.17Å; L468-L472 HydrophobicContact CD1-CG 4.16Å; L468-L472 HydrophobicContact CG-CD1 4.05Å; L468-L472 HydrophobicContact CG-CG 4.42Å; L468-L472 VanDerWaalsContact O-CG 3.31Å; L468-L472 WeakPolarHBondContact O-CG 3.49Å; L468-L472 PolarHBondContact O-N 2.69Å; L469-L472 PolarHBondContact O-N 3.49Å |
| 473 | S | 92 | Very high | 93.9 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -73.8 | -24.9 | -179.7 | 79 | 0 | 0 | 0 | 0 | 114.1 | Y368 L469 D470 T471 | Y368-S473 WeakPolarHBondContact CD1-O 3.48Å; L469-S473 VanDerWaalsContact O-CB 3.23Å; L469-S473 WeakPolarHBondContact O-CB 3.43Å; L469-S473 PolarHBondContact O-N 2.81Å; L469-S473 PolarHBondContact O-OG 3.24Å; D470-S473 PolarHBondContact O-N 3.36Å; D470-S473 PolarHBondContact O-OG 3.41Å; T471-S473 VanDerWaalsContact C-N 3.26Å; T471-S473 PolarHBondContact O-N 3.4Å |
| 474 | K | 90.3 | Very high | 93.6 | Very high | 115 Ų | 115 | 30.6 Ų | 30.6 | 50% | 0.5 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -105.1 | -32.6 | -176 | -69.7 | 172.9 | -178.8 | 165.7 | 0 | 113.1 | D470 T471 | D470-K474 WeakPolarHBondContact O-CG 3.35Å; D470-K474 PolarHBondContact O-N 2.81Å; D470-K474 VanDerWaalsContact O-N 3.1Å; D470-K474 WeakPolarHBondContact OD1-CE 3.05Å; D470-K474 IonicContact OD1-NZ 3.03Å; D470-K474 PolarHBondContact OD1-NZ 2.93Å; D470-K474 WeakPolarHBondContact OD2-CE 3.42Å; D470-K474 IonicContact OD2-NZ 2.74Å; D470-K474 PolarHBondContact OD2-NZ 3.38Å; T471-K474 PolarHBondContact O-N 3.36Å |
| 475 | Q | 90.3 | Very high | 93.2 | Very high | 61 Ų | 61 | 30.5 Ų | 30.5 | 29% | 0.285 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -77 | 133.6 | -179.6 | -173.4 | 178.4 | -9.5 | 0 | 0 | 110.8 | W286 A287 Y368 T471 A477 | W286-Q475 PolarHBondContact NE1-O 3.49Å; A287-Q475 PolarHBondContact O-NE2 3.41Å; A287-Q475 VanDerWaalsContact O-NE2 3.07Å; Y368-Q475 WeakPolarHBondContact CE1-O 3.35Å; Y368-Q475 PolarHBondContact OH-O 3.03Å; T471-Q475 WeakPolarHBondContact O-CB 3.39Å; T471-Q475 PolarHBondContact O-N 2.96Å; Q475-A477 PolarHBondContact O-N 2.84Å |
| 476 | Q | 91.4 | Very high | 92.6 | Very high | 27 Ų | 27 | 33.5 Ų | 33.5 | 13% | 0.126 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 128.4 | 172 | 178.5 | 169 | -17.3 | 0 | 0 | 110 | L268 Y368 V508 I513 | L268-Q476 HydrophobicContact CB-CG 4.49Å; L268-Q476 HydrophobicContact CD2-CB 4.29Å; L268-Q476 HydrophobicContact CD2-CG 4.39Å; L268-Q476 VanDerWaalsContact CD2-O 3.24Å; L268-Q476 WeakPolarHBondContact CD2-O 3.49Å; L268-Q476 PolarHBondContact O-NE2 2.87Å; Y368-Q476 WeakPolarHBondContact OH-CA 2.81Å; Q476-V508 PolarHBondContact NE2-O 3.42Å; Q476-I513 HydrophobicContact CG-CD1 3.94Å |
| 477 | A | 94 | Very high | 91.8 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -81.4 | 151.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | M284 V285 W286 Y368 Q475 L479 | M284-A477 HydrophobicContact CB-CB 3.98Å; M284-A477 HydrophobicContact CE-CB 4.39Å; V285-A477 WeakPolarHBondContact O-CA 3.44Å; W286-A477 HydrophobicContact CD2-CB 3.85Å; W286-A477 HydrophobicContact CE3-CB 4.29Å; W286-A477 HydrophobicContact CG-CB 4.37Å; W286-A477 HydrophobicContact CH2-CB 4.17Å; W286-A477 HydrophobicContact CZ2-CB 3.72Å; W286-A477 HydrophobicContact CZ3-CB 4.43Å; Y368-A477 PolarHBondContact OH-N 3.45Å; Q475-A477 PolarHBondContact O-N 2.84Å; A477-L479 HydrophobicContact CB-CD2 4.29Å |
| 478 | C | 95.6 | Very high | 91 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 128.4 | 157.3 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | F267 M284 V285 | F267-C478 HydrophobicContact CD1-CB 4.14Å; F267-C478 HydrophobicContact CD2-CB 4.05Å; F267-C478 HydrophobicContact CE1-CB 3.82Å; F267-C478 HydrophobicContact CE2-CB 3.73Å; F267-C478 HydrophobicContact CG-CB 4.25Å; F267-C478 HydrophobicContact CZ-CB 3.61Å; F267-C478 WeakPolarHBondContact O-CA 3.44Å; F267-C478 WeakPolarHBondContact O-CB 3.47Å; F267-C478 PolarHBondContact O-SG 3.36Å; M284-C478 WeakPolarHBondContact CA-O 3.17Å; V285-C478 HydrophobicContact CB-CB 4.19Å; V285-C478 PolarHBondContact N-O 2.81Å; V285-C478 PolarHBondContact O-N 3.42Å |
| 479 | L | 96.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.5 | 179.1 | -56.6 | -179.3 | 0 | 0 | 0 | 109.2 | K269 L270 Y271 R283 M284 T364 A477 I513 | K269-L479 PolarHBondContact O-N 3.35Å; L270-L479 CarbonylContact C-O 3.06Å; L270-L479 WeakPolarHBondContact CA-O 3.42Å; L270-L479 HydrophobicContact CB-CB 4.3Å; L270-L479 HydrophobicContact CD1-CB 3.65Å; Y271-L479 PolarHBondContact N-O 3.06Å; R283-L479 CarbonylContact O-C 3.17Å; R283-L479 WeakPolarHBondContact O-CA 3.46Å; M284-L479 HydrophobicContact CB-CD2 4.33Å; M284-L479 HydrophobicContact CE-CD2 4.27Å; M284-L479 HydrophobicContact CG-CD2 3.75Å; T364-L479 HydrophobicContact CG2-CD1 4.06Å; T364-L479 HydrophobicContact CG2-CD2 3.76Å; A477-L479 HydrophobicContact CB-CD2 4.29Å; L479-I513 HydrophobicContact CD1-CD1 3.89Å; L479-I513 HydrophobicContact CD1-CG1 4.18Å |
| 480 | I | 96.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 109.8 | 176.9 | -55.9 | 174.1 | 0 | 0 | 0 | 108.6 | L168 F171 I172 Y271 V273 R283 V285 | L168-I480 HydrophobicContact CD1-CD1 4.12Å; L168-I480 HydrophobicContact CD1-CG2 3.99Å; F171-I480 HydrophobicContact CD1-CD1 4.26Å; F171-I480 HydrophobicContact CE1-CD1 4.11Å; F171-I480 HydrophobicContact CE1-CG1 4.37Å; I172-I480 HydrophobicContact CD1-CD1 4.05Å; I172-I480 HydrophobicContact CG1-CD1 3.68Å; Y271-I480 CarbonylContact O-C 3.55Å; Y271-I480 WeakPolarHBondContact O-CA 3.48Å; V273-I480 HydrophobicContact CB-CG2 4.33Å; V273-I480 HydrophobicContact CG1-CG2 3.82Å; V273-I480 HydrophobicContact CG2-CG2 3.5Å; V273-I480 VanDerWaalsContact CG2-CG2 3.5Å; R283-I480 HydrophobicContact CB-CB 4.19Å; R283-I480 PolarHBondContact N-O 3.37Å; R283-I480 PolarHBondContact O-N 3.44Å; V285-I480 HydrophobicContact CG2-CD1 4.24Å |
| 481 | H | 94.8 | Very high | 88.9 | Confident | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.046 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 106.5 | 173.4 | -178.5 | -155.6 | 0 | 0 | 0 | 109.2 | L270 Y271 H272 V273 E280 Q281 L360 L483 | L270-H481 HydrophobicContact CD1-CB 4.37Å; Y271-H481 PolarHBondContact O-N 2.87Å; H272-H481 CarbonylContact C-O 3.58Å; H272-H481 WeakPolarHBondContact CA-O 3.26Å; H272-H481 AromaticContact CE1-ND1 3.38Å; H272-H481 PolarHBondContact CE1-ND1 3.19Å; H272-H481 WeakPolarHBondContact ND1-CB 3.33Å; H272-H481 AromaticContact ND1-CG 3.63Å; H272-H481 AromaticContact ND1-ND1 3.13Å; H272-H481 PolarHBondContact ND1-ND1 3.26Å; H272-H481 VanDerWaalsContact ND1-ND1 3.13Å; V273-H481 PolarHBondContact N-O 2.98Å; E280-H481 IonicContact OE2-NE2 3.62Å; Q281-H481 CarbonylContact O-C 3.57Å; Q281-H481 WeakPolarHBondContact O-CA 3.29Å; L360-H481 HydrophobicContact CD1-CB 4Å; H481-L483 HydrophobicContact CB-CD2 4.41Å; H481-L483 VanDerWaalsContact O-CD2 3.3Å; H481-L483 WeakPolarHBondContact O-CD2 3.19Å |
| 482 | S | 93.1 | Very high | 88.7 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 115.5 | 176.4 | -55.1 | 0 | 0 | 0 | 0 | 109.6 | V273 E280 Q281 | V273-S482 WeakPolarHBondContact CG2-OG 3.35Å; V273-S482 WeakPolarHBondContact O-CA 3.23Å; E280-S482 VanDerWaalsContact CA-O 3.3Å; E280-S482 WeakPolarHBondContact CA-O 2.92Å; Q281-S482 PolarHBondContact N-O 3.45Å; Q281-S482 PolarHBondContact O-N 3.28Å |
| 483 | L | 90.1 | Very high | 88.6 | Confident | 16 Ų | 16 | 54.8 Ų | 54.8 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 172.1 | 178.6 | 71.9 | 159.8 | 0 | 0 | 0 | 110.3 | H272 V273 D274 S275 E280 H481 L485 | H272-L483 HydrophobicContact CB-CD2 3.95Å; V273-L483 PolarHBondContact O-N 3.49Å; D274-L483 CarbonylContact C-O 3.47Å; D274-L483 VanDerWaalsContact CA-O 3.31Å; D274-L483 WeakPolarHBondContact CA-O 3.12Å; S275-L483 PolarHBondContact N-O 3.41Å; E280-L483 HydrophobicContact CG-CB 3.91Å; H481-L483 HydrophobicContact CB-CD2 4.41Å; H481-L483 VanDerWaalsContact O-CD2 3.3Å; H481-L483 WeakPolarHBondContact O-CD2 3.19Å; L483-L485 HydrophobicContact CD2-CD2 4.28Å; L483-L485 PolarHBondContact O-N 2.98Å |
| 484 | K | 86.7 | Confident | 88.7 | Confident | 145 Ų | 145 | 58.1 Ų | 58.1 | 63% | 0.63 | 29% | 0.293 | S | S | * | . | trans | -76.5 | 115.7 | 168.9 | -168 | 166 | -172.3 | 168.5 | 0 | 109.6 | N486 | K484-N486 PolarHBondContact O-N 2.89Š| ||
| 485 | L | 86.4 | Confident | 88.9 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | trans | -68 | 129.8 | -177.9 | -68.3 | -179.9 | 0 | 0 | 0 | 110.6 | H272 D274 L483 H490 Q502 | H272-L485 HydrophobicContact CB-CD2 3.8Å; D274-L485 HydrophobicContact CB-CD1 3.9Å; D274-L485 HydrophobicContact CB-CG 3.96Å; D274-L485 PolarHBondContact OD1-N 3.29Å; L483-L485 HydrophobicContact CD2-CD2 4.28Å; L483-L485 PolarHBondContact O-N 2.98Å; L485-H490 HydrophobicContact CD2-CB 4.27Å; L485-Q502 HydrophobicContact CD1-CB 4.08Å | ||
| 486 | N | 82 | Confident | 89.1 | Confident | 67 Ų | 67 | 55.2 Ų | 55.2 | 36% | 0.358 | 28% | 0.283 | S | S | . | . | trans | -101.4 | 113.5 | 171.7 | -175 | -23.5 | 0 | 0 | 0 | 109.6 | K484 T488 I489 H490 | K484-N486 PolarHBondContact O-N 2.89Å; N486-T488 VanDerWaalsContact CG-OG1 3.23Å; N486-T488 PolarHBondContact ND2-OG1 2.61Å; N486-T488 PolarHBondContact O-N 2.8Å; N486-T488 VanDerWaalsContact O-N 3.07Å; N486-T488 WeakPolarHBondContact OD1-CB 3.35Å; N486-T488 PolarHBondContact OD1-N 3.44Å; N486-T488 PolarHBondContact OD1-OG1 3.45Å; N486-I489 HydrophobicContact CB-CB 4.44Å; N486-I489 HydrophobicContact CB-CD1 4.31Å; N486-I489 HydrophobicContact CB-CG1 4.44Å; N486-I489 PolarHBondContact O-N 3.12Å; N486-H490 PolarHBondContact N-ND1 3.26Å; N486-H490 PolarHBondContact O-N 3.07Å; N486-H490 PolarHBondContact O-ND1 3.34Å; N486-H490 VanDerWaalsContact O-ND1 3.08Å | ||
| 487 | P | 78.6 | Confident | 89.2 | Confident | 95 Ų | 95 | 59.3 Ų | 59.3 | 62% | 0.617 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -20.7 | -177.8 | -22.8 | 32 | 0 | 0 | 0 | 114.8 | ||
| 488 | T | 78.1 | Confident | 89.2 | Confident | 109 Ų | 109 | 60.5 Ų | 60.5 | 67% | 0.669 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -29.4 | 176.9 | 61.7 | 0 | 0 | 0 | 0 | 112.7 | N486 | N486-T488 VanDerWaalsContact CG-OG1 3.23Å; N486-T488 PolarHBondContact ND2-OG1 2.61Å; N486-T488 PolarHBondContact O-N 2.8Å; N486-T488 VanDerWaalsContact O-N 3.07Å; N486-T488 WeakPolarHBondContact OD1-CB 3.35Å; N486-T488 PolarHBondContact OD1-N 3.44Å; N486-T488 PolarHBondContact OD1-OG1 3.45Å |
| 489 | I | 79.1 | Confident | 89 | Confident | 99 Ų | 99 | 61.4 Ų | 61.4 | 51% | 0.508 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -47.1 | -178.3 | -60.1 | 174.3 | 0 | 0 | 0 | 109.7 | N486 K491 | N486-I489 HydrophobicContact CB-CB 4.44Å; N486-I489 HydrophobicContact CB-CD1 4.31Å; N486-I489 HydrophobicContact CB-CG1 4.44Å; N486-I489 PolarHBondContact O-N 3.12Å; I489-K491 PolarHBondContact O-N 2.83Å |
| 490 | H | 80.2 | Confident | 88.8 | Confident | 25 Ų | 25 | 65.9 Ų | 65.9 | 12% | 0.116 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -95.3 | 98.7 | -174.4 | -53.3 | 85.1 | 0 | 0 | 0 | 109 | L485 N486 T504 | L485-H490 HydrophobicContact CD2-CB 4.27Å; N486-H490 PolarHBondContact N-ND1 3.26Å; N486-H490 PolarHBondContact O-N 3.07Å; N486-H490 PolarHBondContact O-ND1 3.34Å; N486-H490 VanDerWaalsContact O-ND1 3.08Å; H490-T504 HydrophobicContact CB-CG2 3.89Å |
| 491 | K | 83.2 | Confident | 88.6 | Confident | 157 Ų | 157 | 66.3 Ų | 66.3 | 68% | 0.683 | 33% | 0.334 | S | S | * | . | trans | -88.9 | 160.8 | 175.9 | -62 | -176.9 | -177.7 | 178.9 | 0 | 110.3 | I489 T504 | I489-K491 PolarHBondContact O-N 2.83Å; K491-T504 WeakPolarHBondContact O-CG2 3.32Å | ||
| 492 | N | 89.1 | Confident | 88.6 | Confident | 134 Ų | 134 | 69.6 Ų | 69.6 | 72% | 0.717 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 60.1 | 54.7 | 178.7 | -54.2 | -27.9 | 0 | 0 | 0 | 113.3 | H494 | N492-H494 PolarHBondContact O-CD2 3.25Å; N492-H494 PolarHBondContact O-N 2.8Å |
| 493 | I | 92.4 | Very high | 88.7 | Confident | 60 Ų | 60 | 70.8 Ų | 70.8 | 31% | 0.308 | 35% | 0.353 | S | S | . | . | trans | -68.9 | 120 | 176.7 | -59.7 | 175.3 | 0 | 0 | 0 | 109.5 | Q502 T504 | I493-Q502 HydrophobicContact CG2-CB 3.73Å; I493-Q502 HydrophobicContact CG2-CG 4.04Å; I493-T504 HydrophobicContact CG1-CG2 4.06Å | ||
| 494 | H | 94.6 | Very high | 89 | Confident | 74 Ų | 74 | 70.4 Ų | 70.4 | 34% | 0.343 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 161.1 | 170.8 | -61.4 | -81.8 | 0 | 0 | 0 | 110.3 | N492 Q502 Y503 | N492-H494 PolarHBondContact O-CD2 3.25Å; N492-H494 PolarHBondContact O-N 2.8Å; H494-Q502 CarbonylContact O-C 3.54Å; H494-Q502 VanDerWaalsContact O-CA 3.31Å; H494-Q502 WeakPolarHBondContact O-CA 3.5Å; H494-Y503 HydrophobicContact CB-CD1 3.93Å; H494-Y503 HydrophobicContact CB-CD2 4.19Å; H494-Y503 HydrophobicContact CB-CE1 3.47Å; H494-Y503 VanDerWaalsContact CB-CE1 3.47Å; H494-Y503 HydrophobicContact CB-CE2 3.78Å; H494-Y503 HydrophobicContact CB-CG 4.27Å; H494-Y503 PolarHBondContact N-O 3.01Å; H494-Y503 PolarHBondContact O-N 2.72Å |
| 495 | I | 94.6 | Very high | 89.3 | Confident | 102 Ų | 102 | 67.2 Ų | 67.2 | 52% | 0.523 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 124.6 | 179.6 | -56.7 | 179.2 | 0 | 0 | 0 | 108.4 | N500 L501 Q502 | I495-N500 HydrophobicContact CG2-CB 4.21Å; I495-L501 WeakPolarHBondContact CA-O 3.4Å; I495-Q502 HydrophobicContact CG1-CG 4.31Å |
| 496 | E | 94.6 | Very high | 89.6 | Confident | 12 Ų | 12 | 70.9 Ų | 70.9 | 6% | 0.056 | 36% | 0.356 | C | S | . | . | trans | -67 | 139 | 171.9 | -167.9 | -72.4 | 125.8 | 0 | 0 | 110.4 | W498 Y499 N500 L501 | E496-W498 VanDerWaalsContact CD-N 3.34Å; E496-W498 PolarHBondContact O-N 3.12Å; E496-W498 PolarHBondContact OE1-N 3.34Å; E496-W498 VanDerWaalsContact OE1-N 3.08Å; E496-W498 PolarHBondContact OE2-N 3.13Å; E496-Y499 WeakPolarHBondContact OE2-CB 3.42Å; E496-Y499 WeakPolarHBondContact OE2-CD2 3.37Å; E496-Y499 PolarHBondContact OE2-N 3.36Å; E496-N500 WeakPolarHBondContact O-CA 3.4Å; E496-N500 PolarHBondContact O-N 3.45Å; E496-L501 HydrophobicContact CB-CB 4.19Å; E496-L501 PolarHBondContact N-O 3.16Å | ||
| 497 | K | 92.9 | Very high | 90 | Very high | 113 Ų | 113 | 73.7 Ų | 73.7 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -46.4 | -168.3 | -179.2 | -177.4 | 176.2 | -171.2 | 0 | 114.1 | E196 | E196-K497 IonicContact OE1-NZ 2.68Å; E196-K497 PolarHBondContact OE1-NZ 3.36Å; E196-K497 IonicContact OE2-NZ 3.74Å |
| 498 | W | 93.9 | Very high | 90.2 | Very high | 26 Ų | 26 | 70 Ų | 70 | 10% | 0.098 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -44.1 | -165.8 | -62.3 | 112.2 | 0 | 0 | 0 | 112.9 | F157 F185 Q191 E496 | F157-W498 HydrophobicContact CZ-CB 4.22Å; F157-W498 VanDerWaalsContact CZ-O 3.3Å; F157-W498 WeakPolarHBondContact CZ-O 3.3Å; F185-W498 HydrophobicContact CB-CD2 4.22Å; F185-W498 HydrophobicContact CB-CG 4.36Å; F185-W498 HydrophobicContact CB-CZ2 4.05Å; F185-W498 AromaticContact CD1-CD2 3.83Å; F185-W498 HydrophobicContact CD1-CD2 3.83Å; F185-W498 AromaticContact CD1-CE2 3.93Å; F185-W498 AromaticContact CD1-CE3 3.93Å; F185-W498 HydrophobicContact CD1-CE3 3.93Å; F185-W498 HydrophobicContact CD1-CG 4.38Å; F185-W498 HydrophobicContact CD1-CH2 4.19Å; F185-W498 HydrophobicContact CD1-CZ2 4.09Å; F185-W498 HydrophobicContact CD1-CZ3 4.12Å; F185-W498 HydrophobicContact CD2-CB 4.11Å; F185-W498 HydrophobicContact CD2-CD2 4.15Å; F185-W498 AromaticContact CD2-CG 3.83Å; F185-W498 HydrophobicContact CD2-CG 3.83Å; F185-W498 HydrophobicContact CE1-CD2 4.23Å; F185-W498 AromaticContact CE1-CE3 3.99Å; F185-W498 HydrophobicContact CE1-CE3 3.99Å; F185-W498 HydrophobicContact CE1-CZ3 4.3Å; F185-W498 HydrophobicContact CE2-CB 4.1Å; F185-W498 HydrophobicContact CE2-CG 4.24Å; F185-W498 AromaticContact CG-CD2 3.8Å; F185-W498 HydrophobicContact CG-CD2 3.8Å; F185-W498 AromaticContact CG-CE2 3.77Å; F185-W498 HydrophobicContact CG-CE3 4.36Å; F185-W498 AromaticContact CG-CG 3.93Å; F185-W498 HydrophobicContact CG-CG 3.93Å; F185-W498 HydrophobicContact CG-CZ2 4.28Å; F185-W498 AromaticContact CG-NE1 3.91Å; F185-W498 HydrophobicContact CZ-CE3 4.49Å; Q191-W498 HydrophobicContact CB-CZ3 4.32Å; Q191-W498 HydrophobicContact CG-CZ3 4.23Å; E496-W498 VanDerWaalsContact CD-N 3.34Å; E496-W498 PolarHBondContact O-N 3.12Å; E496-W498 PolarHBondContact OE1-N 3.34Å; E496-W498 VanDerWaalsContact OE1-N 3.08Å; E496-W498 PolarHBondContact OE2-N 3.13Å |
| 499 | Y | 92.9 | Very high | 90.1 | Very high | 19 Ų | 19 | 67.4 Ų | 67.4 | 8% | 0.075 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -5.9 | -173.9 | -67.9 | -90 | 0 | 0 | 0 | 113.1 | F157 K161 A166 K167 F185 E496 L501 | F157-Y499 HydrophobicContact CE2-CD1 4.18Å; F157-Y499 AromaticContact CE2-CE1 3.72Å; F157-Y499 HydrophobicContact CE2-CE1 3.72Å; F157-Y499 HydrophobicContact CE2-CE2 4.4Å; F157-Y499 AromaticContact CE2-CZ 3.85Å; F157-Y499 HydrophobicContact CZ-CE1 4.47Å; K161-Y499 HydrophobicContact CB-CD1 4.04Å; A166-Y499 HydrophobicContact CB-CD1 4.39Å; A166-Y499 HydrophobicContact CB-CE1 3.86Å; K167-Y499 HydrophobicContact CG-CD1 4.43Å; F185-Y499 HydrophobicContact CD2-CE2 4.5Å; F185-Y499 HydrophobicContact CE2-CE2 4.24Å; E496-Y499 WeakPolarHBondContact OE2-CB 3.42Å; E496-Y499 WeakPolarHBondContact OE2-CD2 3.37Å; E496-Y499 PolarHBondContact OE2-N 3.36Å; Y499-L501 PolarHBondContact O-N 3.08Å |
| 500 | N | 91.9 | Very high | 89.4 | Confident | 95 Ų | 95 | 65.6 Ų | 65.6 | 51% | 0.508 | 33% | 0.326 | S | S | . | . | trans | 54.7 | 30.5 | -176.6 | -60.6 | -41.1 | 0 | 0 | 0 | 113.3 | I495 E496 Q502 | I495-N500 HydrophobicContact CG2-CB 4.21Å; E496-N500 WeakPolarHBondContact O-CA 3.4Å; E496-N500 PolarHBondContact O-N 3.45Å; N500-Q502 PolarHBondContact O-N 3.31Å | ||
| 501 | L | 92.2 | Very high | 88.5 | Confident | 9 Ų | 9 | 72.5 Ų | 72.5 | 5% | 0.047 | 36% | 0.356 | C | S | . | . | trans | -68.7 | 124.6 | 175.3 | -176.3 | 70.4 | 0 | 0 | 0 | 108.9 | K167 F171 V273 D274 I495 E496 Y499 | K167-L501 HydrophobicContact CB-CB 4.34Å; K167-L501 HydrophobicContact CB-CD1 4.05Å; K167-L501 HydrophobicContact CD-CD1 4.13Å; F171-L501 HydrophobicContact CB-CD2 3.49Å; F171-L501 VanDerWaalsContact CB-CD2 3.49Å; F171-L501 HydrophobicContact CD1-CD2 4.37Å; F171-L501 HydrophobicContact CD2-CD2 4.22Å; F171-L501 HydrophobicContact CG-CD2 3.77Å; V273-L501 HydrophobicContact CB-CD2 4.1Å; V273-L501 HydrophobicContact CG1-CD2 4.12Å; D274-L501 VanDerWaalsContact O-CD1 3.26Å; D274-L501 WeakPolarHBondContact O-CD1 3.4Å; I495-L501 WeakPolarHBondContact CA-O 3.4Å; E496-L501 HydrophobicContact CB-CB 4.19Å; E496-L501 PolarHBondContact N-O 3.16Å; Y499-L501 PolarHBondContact O-N 3.08Å | ||
| 502 | Q | 94.3 | Very high | 87.6 | Confident | 79 Ų | 79 | 69 Ų | 69 | 37% | 0.369 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 136.5 | 174.7 | -67.8 | -175.2 | 17.8 | 0 | 0 | 110.2 | D274 L485 I493 H494 I495 N500 | D274-Q502 HydrophobicContact CB-CB 4.02Å; D274-Q502 PolarHBondContact N-O 2.53Å; L485-Q502 HydrophobicContact CD1-CB 4.08Å; I493-Q502 HydrophobicContact CG2-CB 3.73Å; I493-Q502 HydrophobicContact CG2-CG 4.04Å; H494-Q502 CarbonylContact O-C 3.54Å; H494-Q502 VanDerWaalsContact O-CA 3.31Å; H494-Q502 WeakPolarHBondContact O-CA 3.5Å; I495-Q502 HydrophobicContact CG1-CG 4.31Å; N500-Q502 PolarHBondContact O-N 3.31Å |
| 503 | Y | 95.4 | Very high | 86.4 | Confident | 34 Ų | 34 | 62.7 Ų | 62.7 | 13% | 0.133 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 157 | 178.7 | 71.9 | -83.5 | 0 | 0 | 0 | 113.5 | F171 Y271 H272 H494 | F171-Y503 HydrophobicContact CD2-CD1 4.14Å; F171-Y503 HydrophobicContact CD2-CE1 4.32Å; F171-Y503 HydrophobicContact CD2-CG 4.42Å; F171-Y503 AromaticContact CE2-CD1 3.75Å; F171-Y503 HydrophobicContact CE2-CD1 3.75Å; F171-Y503 AromaticContact CE2-CD2 3.78Å; F171-Y503 HydrophobicContact CE2-CD2 3.78Å; F171-Y503 AromaticContact CE2-CE1 3.88Å; F171-Y503 HydrophobicContact CE2-CE1 3.88Å; F171-Y503 AromaticContact CE2-CE2 3.92Å; F171-Y503 HydrophobicContact CE2-CE2 3.92Å; F171-Y503 AromaticContact CE2-CG 3.69Å; F171-Y503 HydrophobicContact CE2-CG 3.69Å; F171-Y503 AromaticContact CE2-CZ 3.96Å; F171-Y503 HydrophobicContact CZ-CD2 4.11Å; F171-Y503 HydrophobicContact CZ-CE2 4.44Å; F171-Y503 HydrophobicContact CZ-CG 4.25Å; Y271-Y503 AromaticContact CD1-CD2 3.8Å; Y271-Y503 HydrophobicContact CD1-CD2 3.8Å; Y271-Y503 HydrophobicContact CD1-CE2 4.09Å; Y271-Y503 HydrophobicContact CE1-CD2 4.19Å; Y271-Y503 AromaticContact CE1-CE2 4Å; Y271-Y503 HydrophobicContact CE1-CE2 4Å; H272-Y503 CarbonylContact O-C 3.56Å; H272-Y503 WeakPolarHBondContact O-CA 3.03Å; H272-Y503 VanDerWaalsContact O-CB 3.32Å; H272-Y503 WeakPolarHBondContact O-CB 3.32Å; H494-Y503 HydrophobicContact CB-CD1 3.93Å; H494-Y503 HydrophobicContact CB-CD2 4.19Å; H494-Y503 HydrophobicContact CB-CE1 3.47Å; H494-Y503 VanDerWaalsContact CB-CE1 3.47Å; H494-Y503 HydrophobicContact CB-CE2 3.78Å; H494-Y503 HydrophobicContact CB-CG 4.27Å; H494-Y503 PolarHBondContact N-O 3.01Å; H494-Y503 PolarHBondContact O-N 2.72Å |
| 504 | T | 95.4 | Very high | 84.9 | Confident | 8 Ų | 8 | 59.9 Ų | 59.9 | 5% | 0.049 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 160.1 | 163 | 66.9 | 0 | 0 | 0 | 0 | 109.8 | Y271 H272 H490 K491 I493 | Y271-T504 WeakPolarHBondContact CA-O 3.43Å; H272-T504 WeakPolarHBondContact CB-OG1 3.26Å; H272-T504 PolarHBondContact N-O 2.62Å; H272-T504 PolarHBondContact O-N 3.02Å; H490-T504 HydrophobicContact CB-CG2 3.89Å; K491-T504 WeakPolarHBondContact O-CG2 3.32Å; I493-T504 HydrophobicContact CG1-CG2 4.06Å |
| 505 | Q | 94.2 | Very high | 83.3 | Confident | 79 Ų | 79 | 56.6 Ų | 56.6 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 143.6 | -176.9 | 68.8 | -177.8 | 21.2 | 0 | 0 | 111.2 | L270 Y271 | L270-Q505 CarbonylContact O-C 3.57Å; L270-Q505 WeakPolarHBondContact O-CA 3.38Å; Y271-Q505 HydrophobicContact CD1-CB 3.65Å; Y271-Q505 HydrophobicContact CE1-CB 3.47Å; Y271-Q505 VanDerWaalsContact CE1-CB 3.47Å |
| 506 | E | 91.7 | Very high | 81.5 | Confident | 93 Ų | 93 | 56.9 Ų | 56.9 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 131.8 | 178.2 | -61.9 | -176.5 | -173.6 | 0 | 0 | 109.4 | K269 L270 H272 | K269-E506 WeakPolarHBondContact CB-O 3.42Å; L270-E506 HydrophobicContact CB-CB 4.31Å; L270-E506 PolarHBondContact N-O 2.73Å; L270-E506 PolarHBondContact O-N 3.24Å; H272-E506 IonicContact CD2-OE1 3.48Å; H272-E506 IonicContact NE2-OE1 3.46Å |
| 507 | D | 90.2 | Very high | 79.6 | Confident | 126 Ų | 126 | 59.7 Ų | 59.7 | 67% | 0.674 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 133.8 | 171.7 | -64.7 | -37.4 | 0 | 0 | 0 | 108.9 | K269 | K269-D507 WeakPolarHBondContact CD-OD1 3.27Å; K269-D507 WeakPolarHBondContact CE-OD1 3.49Å; K269-D507 IonicContact NZ-OD1 2.83Å; K269-D507 PolarHBondContact NZ-OD1 2.71Å |
| 508 | V | 84.1 | Confident | 77.7 | Confident | 17 Ų | 17 | 61.9 Ų | 61.9 | 10% | 0.103 | 31% | 0.314 | C | S | . | . | trans | -114.4 | 126.7 | 180 | -162.1 | 0 | 0 | 0 | 0 | 110.4 | L270 F361 Q476 Q512 I513 | L270-V508 HydrophobicContact CB-CG2 3.45Å; L270-V508 VanDerWaalsContact CB-CG2 3.45Å; F361-V508 HydrophobicContact CE1-CG1 3.66Å; F361-V508 HydrophobicContact CZ-CG1 4.35Å; Q476-V508 PolarHBondContact NE2-O 3.42Å; V508-Q512 HydrophobicContact CG1-CB 4.08Å; V508-I513 HydrophobicContact CB-CD1 3.68Å; V508-I513 HydrophobicContact CB-CG1 4.39Å; V508-I513 HydrophobicContact CG1-CD1 3.24Å; V508-I513 HydrophobicContact CG1-CG1 3.42Å; V508-I513 VanDerWaalsContact CG1-CG1 3.42Å; V508-I513 HydrophobicContact CG2-CD1 4.37Å | ||
| 509 | S | 74.9 | Confident | 75.7 | Confident | 55 Ų | 55 | 65 Ų | 65 | 39% | 0.385 | 33% | 0.332 | S | S | . | . | trans | -79 | 145 | 173.7 | 70.8 | 0 | 0 | 0 | 0 | 111.1 | K511 Q512 I513 | S509-K511 PolarHBondContact O-N 2.95Å; S509-K511 VanDerWaalsContact O-N 3.09Å; S509-Q512 WeakPolarHBondContact O-CB 3.37Å; S509-Q512 PolarHBondContact O-N 2.85Å; S509-Q512 WeakPolarHBondContact OG-CG 3.36Å; S509-Q512 PolarHBondContact OG-N 2.99Å; S509-Q512 PolarHBondContact OG-OE1 3.21Å; S509-I513 PolarHBondContact O-N 2.73Å | ||
| 510 | T | 65.1 | Low | 73.8 | Confident | 60 Ų | 60 | 72.8 Ų | 72.8 | 37% | 0.368 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.2 | -26.8 | 175.2 | 52.6 | 0 | 0 | 0 | 0 | 113.1 | Q512 I513 G514 L516 | T510-Q512 VanDerWaalsContact C-N 3.34Å; T510-Q512 PolarHBondContact O-N 3.21Å; T510-I513 PolarHBondContact O-N 3.12Å; T510-G514 PolarHBondContact O-N 3.48Å; T510-L516 HydrophobicContact CG2-CD1 3.89Å |
| 511 | K | 61.6 | Low | 72.3 | Confident | 170 Ų | 170 | 71.2 Ų | 71.2 | 74% | 0.739 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.8 | -32.2 | 173.8 | -71.8 | -173.6 | 179.3 | -179.2 | 0 | 113.2 | S509 | S509-K511 PolarHBondContact O-N 2.95Å; S509-K511 VanDerWaalsContact O-N 3.09Å |
| 512 | Q | 64.4 | Low | 71.2 | Confident | 85 Ų | 85 | 75.8 Ų | 75.8 | 40% | 0.397 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -76.6 | -31.6 | 178.4 | -72.7 | 162.3 | -56.8 | 0 | 0 | 112.3 | F361 V508 S509 T510 | F361-Q512 HydrophobicContact CD1-CB 4.12Å; F361-Q512 HydrophobicContact CE1-CB 4.23Å; V508-Q512 HydrophobicContact CG1-CB 4.08Å; S509-Q512 WeakPolarHBondContact O-CB 3.37Å; S509-Q512 PolarHBondContact O-N 2.85Å; S509-Q512 WeakPolarHBondContact OG-CG 3.36Å; S509-Q512 PolarHBondContact OG-N 2.99Å; S509-Q512 PolarHBondContact OG-OE1 3.21Å; T510-Q512 VanDerWaalsContact C-N 3.34Å; T510-Q512 PolarHBondContact O-N 3.21Å |
| 513 | I | 64.2 | Low | 70.4 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -91.4 | -8.1 | -174.4 | -67.5 | 172.8 | 0 | 0 | 0 | 113.2 | N365 Y368 Q476 L479 V508 S509 T510 C515 | N365-I513 PolarHBondContact OD1-O 3.29Å; Y368-I513 HydrophobicContact CD2-CG2 3.85Å; Y368-I513 WeakPolarHBondContact CD2-O 3.2Å; Y368-I513 HydrophobicContact CE2-CG2 3.21Å; Q476-I513 HydrophobicContact CG-CD1 3.94Å; L479-I513 HydrophobicContact CD1-CD1 3.89Å; L479-I513 HydrophobicContact CD1-CG1 4.18Å; V508-I513 HydrophobicContact CB-CD1 3.68Å; V508-I513 HydrophobicContact CB-CG1 4.39Å; V508-I513 HydrophobicContact CG1-CD1 3.24Å; V508-I513 HydrophobicContact CG1-CG1 3.42Å; V508-I513 VanDerWaalsContact CG1-CG1 3.42Å; V508-I513 HydrophobicContact CG2-CD1 4.37Å; S509-I513 PolarHBondContact O-N 2.73Å; T510-I513 PolarHBondContact O-N 3.12Å; I513-C515 HydrophobicContact CG2-CB 4.15Å; I513-C515 PolarHBondContact O-N 2.93Å |
| 514 | G | 60.3 | Low | 69.8 | Low | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.01 | 41% | 0.413 | C | S | . | . | trans | 63.2 | -0.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | N365 R372 T510 L516 N517 | N365-G514 WeakPolarHBondContact OD1-CA 3.48Å; N365-G514 PolarHBondContact OD1-N 3.45Å; N365-G514 VanDerWaalsContact OD1-N 3.09Å; R372-G514 PolarHBondContact NH1-O 2.92Å; R372-G514 PolarHBondContact NH2-O 3.02Å; T510-G514 PolarHBondContact O-N 3.48Å; G514-L516 VanDerWaalsContact C-N 3.27Å; G514-L516 PolarHBondContact O-N 3.28Å; G514-N517 PolarHBondContact O-N 3.23Å | ||
| 515 | C | 61.6 | Low | 69.4 | Low | 5 Ų | 5 | 76.1 Ų | 76.1 | 3% | 0.034 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -33.5 | -178.5 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | Y368 R372 I513 | Y368-C515 HydrophobicContact CD1-CB 3.86Å; Y368-C515 HydrophobicContact CD2-CB 4.36Å; Y368-C515 HydrophobicContact CE1-CB 3.58Å; Y368-C515 HydrophobicContact CE2-CB 4.17Å; Y368-C515 HydrophobicContact CG-CB 4.24Å; R372-C515 PolarHBondContact NH1-O 3.09Å; I513-C515 HydrophobicContact CG2-CB 4.15Å; I513-C515 PolarHBondContact O-N 2.93Å |
| 516 | L | 54.8 | Low | 69.1 | Low | 109 Ų | 109 | 74.2 Ų | 74.2 | 57% | 0.571 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -11.2 | -179.6 | -67.7 | 176.3 | 0 | 0 | 0 | 114.9 | T510 G514 | T510-L516 HydrophobicContact CG2-CD1 3.89Å; G514-L516 VanDerWaalsContact C-N 3.27Å; G514-L516 PolarHBondContact O-N 3.28Å |
| 517 | N | 55.9 | Low | 68.8 | Low | 70 Ų | 70 | 70.3 Ų | 70.3 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | trans | -89 | 123.4 | -176.6 | -71.6 | -24.3 | 0 | 0 | 0 | 110.3 | R372 G514 L519 | R372-N517 PolarHBondContact NH1-O 3.01Å; G514-N517 PolarHBondContact O-N 3.23Å; N517-L519 HydrophobicContact CB-CD1 4.33Å; N517-L519 HydrophobicContact CB-CG 4.2Å; N517-L519 PolarHBondContact O-N 2.87Å | ||
| 518 | N | 52.3 | Low | 68.2 | Low | 160 Ų | 160 | 64.6 Ų | 64.6 | 86% | 0.856 | 36% | 0.362 | S | S | * | . | trans | -67.8 | 54.3 | 166.2 | -77.3 | -14 | 0 | 0 | 0 | 111.1 | Q520 | N518-Q520 PolarHBondContact O-N 2.89Å; N518-Q520 VanDerWaalsContact O-N 3.14Å | ||
| 519 | L | 52 | Low | 67.3 | Low | 90 Ų | 90 | 66.4 Ų | 66.4 | 47% | 0.471 | 37% | 0.371 | S | S | . | . | trans | -61.3 | 118.4 | 166.9 | -75.8 | 160.6 | 0 | 0 | 0 | 106.3 | N517 G521 | N517-L519 HydrophobicContact CB-CD1 4.33Å; N517-L519 HydrophobicContact CB-CG 4.2Å; N517-L519 PolarHBondContact O-N 2.87Å; L519-G521 PolarHBondContact O-N 3.25Å | ||
| 520 | Q | 53.2 | Low | 66.4 | Low | 183 Ų | 183 | 67 Ų | 67 | 86% | 0.855 | 37% | 0.367 | S | S | * | . | trans | -50.8 | 126.3 | 169.6 | -80 | 179.9 | -23.1 | 0 | 0 | 107.5 | N518 T522 | N518-Q520 PolarHBondContact O-N 2.89Å; N518-Q520 VanDerWaalsContact O-N 3.14Å; Q520-T522 PolarHBondContact O-N 2.85Å | ||
| 521 | G | 60.1 | Low | 65.8 | Low | 63 Ų | 63 | 66 Ų | 66 | 65% | 0.649 | 36% | 0.36 | S | S | * | . | trans | -48.4 | 110.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L519 | L519-G521 PolarHBondContact O-N 3.25Š| ||
| 522 | T | 68.5 | Low | 64.9 | Low | 104 Ų | 104 | 63.3 Ų | 63.3 | 64% | 0.638 | 35% | 0.354 | S | S | * | . | trans | -78.7 | -22.4 | -178.6 | 58.8 | 0 | 0 | 0 | 0 | 110.5 | E369 Q520 | E369-T522 PolarHBondContact OE1-OG1 3.06Å; E369-T522 PolarHBondContact OE2-N 3.27Å; E369-T522 VanDerWaalsContact OE2-N 3.07Å; E369-T522 PolarHBondContact OE2-OG1 3.05Å; E369-T522 VanDerWaalsContact OE2-OG1 3.11Å; Q520-T522 PolarHBondContact O-N 2.85Å | ||
| 523 | V | 77.5 | Confident | 63.8 | Low | 10 Ų | 10 | 61 Ų | 61 | 6% | 0.061 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -104.5 | 124.7 | -177.7 | -173.8 | 0 | 0 | 0 | 0 | 110.6 | Y318 F525 | Y318-V523 HydrophobicContact CD1-CG1 3.94Å; Y318-V523 HydrophobicContact CD1-CG2 4.42Å; Y318-V523 HydrophobicContact CD2-CG1 3.45Å; Y318-V523 VanDerWaalsContact CD2-CG1 3.45Å; Y318-V523 HydrophobicContact CE1-CB 4.49Å; Y318-V523 HydrophobicContact CE1-CG1 3.92Å; Y318-V523 HydrophobicContact CE1-CG2 3.71Å; Y318-V523 HydrophobicContact CE2-CB 4.37Å; Y318-V523 HydrophobicContact CE2-CG1 3.43Å; Y318-V523 VanDerWaalsContact CE2-CG1 3.43Å; Y318-V523 HydrophobicContact CE2-CG2 4.19Å; Y318-V523 HydrophobicContact CG-CG1 3.71Å; V523-F525 VanDerWaalsContact C-N 3.26Å; V523-F525 HydrophobicContact CB-CD2 4.15Å; V523-F525 HydrophobicContact CB-CE1 4.32Å; V523-F525 HydrophobicContact CB-CE2 3.76Å; V523-F525 HydrophobicContact CB-CZ 3.87Å; V523-F525 HydrophobicContact CG1-CD1 3.83Å; V523-F525 HydrophobicContact CG1-CD2 4.16Å; V523-F525 HydrophobicContact CG1-CE1 3.5Å; V523-F525 HydrophobicContact CG1-CE2 3.87Å; V523-F525 HydrophobicContact CG1-CG 4.15Å; V523-F525 HydrophobicContact CG1-CZ 3.54Å; V523-F525 HydrophobicContact CG2-CZ 4.44Å; V523-F525 PolarHBondContact O-N 2.63Å |
| 524 | P | 83 | Confident | 62.4 | Low | 97 Ų | 97 | 68.9 Ų | 68.9 | 63% | 0.63 | 40% | 0.395 | S | S | * | . | trans | -81.5 | 68.4 | -178.2 | 34.3 | -35.7 | 0 | 0 | 0 | 111.4 | ||||
| 525 | F | 88 | Confident | 61.4 | Low | 22 Ų | 22 | 72.1 Ų | 72.1 | 10% | 0.096 | 42% | 0.415 | C | S | . | . | trans | -63.9 | 149 | 174.9 | -63.8 | -59.7 | 0 | 0 | 0 | 112 | Y313 L315 Y318 I366 E369 Y370 F373 V523 | Y313-F525 WeakPolarHBondContact O-CA 3.01Å; L315-F525 HydrophobicContact CD1-CE1 4.45Å; L315-F525 HydrophobicContact CD1-CZ 4.25Å; Y318-F525 HydrophobicContact CG-CE1 4.42Å; I366-F525 HydrophobicContact CG2-CZ 3.86Å; E369-F525 HydrophobicContact CB-CE2 4.15Å; Y370-F525 HydrophobicContact CD2-CB 4.12Å; Y370-F525 AromaticContact CD2-CD1 3.59Å; Y370-F525 HydrophobicContact CD2-CD1 3.59Å; Y370-F525 AromaticContact CD2-CD2 3.81Å; Y370-F525 HydrophobicContact CD2-CD2 3.81Å; Y370-F525 AromaticContact CD2-CE1 3.81Å; Y370-F525 HydrophobicContact CD2-CE1 3.81Å; Y370-F525 HydrophobicContact CD2-CE2 4Å; Y370-F525 AromaticContact CD2-CG 3.58Å; Y370-F525 HydrophobicContact CD2-CG 3.58Å; Y370-F525 AromaticContact CD2-CZ 3.99Å; Y370-F525 HydrophobicContact CD2-CZ 3.99Å; Y370-F525 HydrophobicContact CE2-CB 4.34Å; Y370-F525 HydrophobicContact CE2-CD1 4.06Å; Y370-F525 HydrophobicContact CE2-CG 4.18Å; Y370-F525 HydrophobicContact CG-CE2 4.41Å; Y370-F525 HydrophobicContact CG-CZ 4.39Å; F373-F525 HydrophobicContact CB-CD2 4.49Å; F373-F525 HydrophobicContact CD1-CB 3.86Å; F373-F525 HydrophobicContact CD2-CB 4.31Å; F373-F525 HydrophobicContact CE1-CB 4.06Å; F373-F525 HydrophobicContact CE2-CB 4.47Å; F373-F525 HydrophobicContact CG-CB 4Å; F373-F525 HydrophobicContact CZ-CB 4.36Å; V523-F525 VanDerWaalsContact C-N 3.26Å; V523-F525 HydrophobicContact CB-CD2 4.15Å; V523-F525 HydrophobicContact CB-CE1 4.32Å; V523-F525 HydrophobicContact CB-CE2 3.76Å; V523-F525 HydrophobicContact CB-CZ 3.87Å; V523-F525 HydrophobicContact CG1-CD1 3.83Å; V523-F525 HydrophobicContact CG1-CD2 4.16Å; V523-F525 HydrophobicContact CG1-CE1 3.5Å; V523-F525 HydrophobicContact CG1-CE2 3.87Å; V523-F525 HydrophobicContact CG1-CG 4.15Å; V523-F525 HydrophobicContact CG1-CZ 3.54Å; V523-F525 HydrophobicContact CG2-CZ 4.44Å; V523-F525 PolarHBondContact O-N 2.63Å | ||
| 526 | S | 87.2 | Confident | 60.2 | Low | 39 Ų | 39 | 79.8 Ų | 79.8 | 27% | 0.273 | 45% | 0.449 | S | S | . | . | trans | -142.2 | 159.6 | 169.1 | 58.8 | 0 | 0 | 0 | 0 | 112 | H311 Y313 | H311-S526 PolarHBondContact CE1-OG 2.9Å; H311-S526 VanDerWaalsContact CE1-OG 3.25Å; Y313-S526 WeakPolarHBondContact CB-OG 3.09Å; Y313-S526 PolarHBondContact O-N 3.44Å | ||
| 527 | L | 85.4 | Confident | 59.3 | Low | 10 Ų | 10 | 82.2 Ų | 82.2 | 5% | 0.052 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 154.5 | 178.9 | -67.9 | 175.9 | 0 | 0 | 0 | 110.9 | F306 F373 L374 K377 S406 F408 L529 | F306-L527 HydrophobicContact CD1-CD2 4.36Å; F306-L527 HydrophobicContact CE1-CD2 3.87Å; F373-L527 HydrophobicContact CE1-CD2 4.03Å; F373-L527 HydrophobicContact CE1-CG 4.41Å; F373-L527 HydrophobicContact CZ-CD2 4.13Å; F373-L527 HydrophobicContact CZ-CG 4.02Å; L374-L527 HydrophobicContact CD2-CD2 4.05Å; K377-L527 HydrophobicContact CB-CD1 4.28Å; K377-L527 HydrophobicContact CB-CD2 4.45Å; K377-L527 HydrophobicContact CD-CD1 4.05Å; K377-L527 HydrophobicContact CG-CD1 4.21Å; K377-L527 HydrophobicContact CG-CD2 4.42Å; K377-L527 HydrophobicContact CG-CG 4.36Å; S406-L527 PolarHBondContact OG-O 3.34Å; F408-L527 HydrophobicContact CB-CD1 4.27Å; F408-L527 HydrophobicContact CD2-CD2 4.37Å; L527-L529 PolarHBondContact O-N 3Å |
| 528 | P | 78.3 | Confident | 58.7 | Low | 7 Ų | 7 | 85.6 Ų | 85.6 | 5% | 0.045 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 137.2 | 175.2 | -19.7 | 29.8 | 0 | 0 | 0 | 110.7 | F306 D309 S406 C411 | F306-P528 HydrophobicContact CD1-CG 4.26Å; F306-P528 HydrophobicContact CE1-CG 4.28Å; D309-P528 HydrophobicContact CB-CG 4.28Å; S406-P528 WeakPolarHBondContact CB-O 3.36Å; S406-P528 PolarHBondContact OG-O 3.01Å; C411-P528 PolarHBondContact SG-O 3.18Å; C411-P528 VanDerWaalsContact SG-O 3.35Å |
| 529 | L | 65 | Low | 58.1 | Low | 54 Ų | 54 | 84 Ų | 84 | 28% | 0.283 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 144.7 | -180 | -75.5 | 161 | 0 | 0 | 0 | 111.2 | L527 V531 M621 | L527-L529 PolarHBondContact O-N 3Å; L529-V531 PolarHBondContact O-N 2.62Å; L529-M621 HydrophobicContact CB-CE 4.23Å; L529-M621 HydrophobicContact CD1-CE 3.1Å; L529-M621 HydrophobicContact CG-CE 4.25Å |
| 530 | K | 57 | Low | 57.8 | Low | 68 Ų | 68 | 84.2 Ų | 84.2 | 30% | 0.296 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 126.7 | 174.8 | -168.4 | 179.2 | -176.9 | -177.5 | 0 | 108.1 | N532 | K530-N532 PolarHBondContact O-N 3.47Š|
| 531 | V | 52.6 | Low | 57.6 | Low | 39 Ų | 39 | 79 Ų | 79 | 24% | 0.236 | 45% | 0.446 | C | S | . | . | trans | -66.4 | 107.1 | 174.6 | -179.4 | 0 | 0 | 0 | 0 | 106.6 | L529 G533 E622 | L529-V531 PolarHBondContact O-N 2.62Å; V531-G533 PolarHBondContact O-N 2.52Å; V531-E622 HydrophobicContact CG1-CB 4.48Å; V531-E622 HydrophobicContact CG1-CG 4.26Å | ||
| 532 | N | 41 | Very low | 57.1 | Low | 114 Ų | 114 | 76.6 Ų | 76.6 | 61% | 0.61 | 42% | 0.419 | S | S | * | . | trans | -62.3 | 103.3 | 174.5 | -85.2 | -20.4 | 0 | 0 | 0 | 108.7 | K530 K646 | K530-N532 PolarHBondContact O-N 3.47Å; N532-K646 PolarHBondContact O-NZ 3.34Å | ||
| 533 | G | 42.2 | Very low | 56.3 | Low | 36 Ų | 36 | 77.7 Ų | 77.7 | 37% | 0.371 | 43% | 0.431 | S | S | . | . | trans | -174.1 | 109.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | V531 V535 | V531-G533 PolarHBondContact O-N 2.52Å; G533-V535 VanDerWaalsContact C-N 3.31Å; G533-V535 WeakPolarHBondContact O-CG2 3.39Å; G533-V535 PolarHBondContact O-N 2.95Å | ||
| 534 | N | 34.9 | Very low | 55.5 | Low | 165 Ų | 165 | 80.7 Ų | 80.7 | 88% | 0.882 | 45% | 0.445 | S | S | * | . | trans | -57.9 | 102.8 | 158.7 | -77.2 | -24.5 | 0 | 0 | 0 | 106.6 | H536 | N534-H536 PolarHBondContact O-N 2.7Š| ||
| 535 | V | 38.5 | Very low | 54.8 | Low | 70 Ų | 70 | 83.1 Ų | 83.1 | 42% | 0.424 | 45% | 0.452 | S | S | . | . | trans | -73.1 | 26.8 | 178.5 | -171.6 | 0 | 0 | 0 | 0 | 111.3 | G533 | G533-V535 VanDerWaalsContact C-N 3.31Å; G533-V535 WeakPolarHBondContact O-CG2 3.39Å; G533-V535 PolarHBondContact O-N 2.95Å | ||
| 536 | H | 37.1 | Very low | 54 | Low | 165 Ų | 165 | 85.7 Ų | 85.7 | 76% | 0.764 | 47% | 0.467 | S | S | * | . | trans | -135.6 | 59.2 | -172.3 | -66.9 | -42.4 | 0 | 0 | 0 | 111.7 | N534 | N534-H536 PolarHBondContact O-N 2.7Š| ||
| 537 | E | 36.2 | Very low | 53.4 | Low | 161 Ų | 161 | 85.4 Ų | 85.4 | 75% | 0.752 | 46% | 0.464 | S | S | * | . | trans | -165.9 | 102.3 | 142 | -111.4 | 170 | -174.8 | 0 | 0 | 107.2 | L539 | E537-L539 PolarHBondContact O-N 3.4Š| ||
| 538 | Y | 42.2 | Very low | 52.7 | Low | 141 Ų | 141 | 93.4 Ų | 93.4 | 55% | 0.553 | 50% | 0.501 | S | S | * | . | trans | -66.8 | 83.2 | 168.8 | -67.1 | -88.9 | 0 | 0 | 0 | 107.6 | T540 | Y538-T540 PolarHBondContact O-N 2.8Š| ||
| 539 | L | 40 | Very low | 52.7 | Low | 127 Ų | 127 | 96.8 Ų | 96.8 | 67% | 0.665 | 52% | 0.521 | S | S | * | . | trans | -70.8 | 89.5 | 161.2 | -78.3 | 161.5 | 0 | 0 | 0 | 106.1 | E537 S541 | E537-L539 PolarHBondContact O-N 3.4Å; L539-S541 PolarHBondContact O-N 2.93Å | ||
| 540 | T | 46 | Very low | 53.7 | Low | 94 Ų | 94 | 94.6 Ų | 94.6 | 58% | 0.577 | 51% | 0.51 | S | S | * | . | trans | -51.9 | 108.6 | 159.3 | 38.5 | 0 | 0 | 0 | 0 | 106.5 | Y538 S542 | Y538-T540 PolarHBondContact O-N 2.8Å; T540-S542 VanDerWaalsContact C-N 3.25Å; T540-S542 PolarHBondContact O-N 3.46Å | ||
| 541 | S | 48.2 | Very low | 55.2 | Low | 72 Ų | 72 | 95 Ų | 95 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | trans | -80.9 | -13.6 | -167.6 | 73.2 | 0 | 0 | 0 | 0 | 112.2 | L539 D739 | L539-S541 PolarHBondContact O-N 2.93Å; S541-D739 PolarHBondContact N-OD2 2.82Å; S541-D739 PolarHBondContact OG-O 3.46Å | ||
| 542 | S | 50.5 | Low | 56.9 | Low | 13 Ų | 13 | 95.8 Ų | 95.8 | 9% | 0.091 | 52% | 0.518 | C | S | . | . | trans | -128.1 | 139.5 | 179.9 | 70 | 0 | 0 | 0 | 0 | 111.6 | T540 Q572 D739 | T540-S542 VanDerWaalsContact C-N 3.25Å; T540-S542 PolarHBondContact O-N 3.46Å; S542-Q572 PolarHBondContact OG-NE2 3.24Å; S542-D739 PolarHBondContact N-OD1 2.89Å; S542-D739 PolarHBondContact OG-OD1 3.44Å | ||
| 543 | S | 52.3 | Low | 59.2 | Low | 127 Ų | 127 | 90.6 Ų | 90.6 | 89% | 0.888 | 49% | 0.49 | S | S | * | . | trans | -92.5 | 15 | 166.4 | 53.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 544 | E | 61 | Low | 61.2 | Low | 74 Ų | 74 | 90 Ų | 90 | 35% | 0.346 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 132.8 | -174.7 | -65.3 | -175.5 | -167.8 | 0 | 0 | 109.7 | Y570 Q572 N574 | E544-Y570 PolarHBondContact OE2-OH 3.31Å; E544-Q572 HydrophobicContact CB-CG 3.98Å; E544-N574 PolarHBondContact O-ND2 2.99Å |
| 545 | N | 67 | Low | 63.4 | Low | 148 Ų | 148 | 86.9 Ų | 86.9 | 79% | 0.791 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 145.8 | 177.6 | -70 | -34 | 0 | 0 | 0 | 110.7 | T547 | N545-T547 PolarHBondContact O-N 3.46Š|
| 546 | D | 71.8 | Confident | 65.6 | Low | 76 Ų | 76 | 88.7 Ų | 88.7 | 41% | 0.406 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 134.5 | 177.1 | -67.2 | -3.2 | 0 | 0 | 0 | 111.6 | N574 | D546-N574 WeakPolarHBondContact OD1-CA 3.26Å; D546-N574 WeakPolarHBondContact OD1-CB 3.31Å; D546-N574 VanDerWaalsContact OD1-CG 3.24Å; D546-N574 PolarHBondContact OD1-N 3.04Å; D546-N574 PolarHBondContact OD1-ND2 3.11Å |
| 547 | T | 73.6 | Confident | 67.7 | Low | 33 Ų | 33 | 81.6 Ų | 81.6 | 20% | 0.202 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -95.4 | 127.1 | 175.5 | 58.6 | 0 | 0 | 0 | 0 | 110.1 | N545 T549 I551 Q571 Q572 | N545-T547 PolarHBondContact O-N 3.46Å; T547-T549 VanDerWaalsContact C-N 3.27Å; T547-T549 PolarHBondContact O-N 3.13Å; T547-I551 HydrophobicContact CG2-CD1 3.87Å; T547-Q571 PolarHBondContact O-NE2 3.4Å; T547-Q571 VanDerWaalsContact OG1-CG 3.26Å; T547-Q571 WeakPolarHBondContact OG1-CG 3.46Å; T547-Q572 HydrophobicContact CG2-CB 4.27Å; T547-Q572 PolarHBondContact N-O 3.39Å; T547-Q572 PolarHBondContact OG1-N 2.78Å; T547-Q572 VanDerWaalsContact OG1-N 3.07Å; T547-Q572 PolarHBondContact OG1-O 2.88Å |
| 548 | Q | 71.3 | Confident | 69.8 | Low | 177 Ų | 177 | 81.6 Ų | 81.6 | 83% | 0.827 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -63.8 | -32.3 | -178.8 | -80.8 | -175.7 | -15.4 | 0 | 0 | 113.1 | Y919 | Q548-Y919 PolarHBondContact O-OH 2.96Š|
| 549 | T | 78.8 | Confident | 71.6 | Confident | 78 Ų | 78 | 78.5 Ų | 78.5 | 48% | 0.479 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -134 | 151.7 | -179.1 | 54.6 | 0 | 0 | 0 | 0 | 110.8 | T547 | T547-T549 VanDerWaalsContact C-N 3.27Å; T547-T549 PolarHBondContact O-N 3.13Å |
| 550 | P | 86.4 | Confident | 73.7 | Confident | 8 Ų | 8 | 74.9 Ų | 74.9 | 5% | 0.052 | 43% | 0.428 | C | S | . | . | trans | -56.4 | 141.3 | 171.6 | -21.7 | 29.8 | 0 | 0 | 0 | 112.9 | W569 Y570 Q571 Y735 Y919 I923 | P550-W569 HydrophobicContact CB-CE3 4.12Å; P550-Y570 CarbonylContact C-O 3.08Å; P550-Y570 WeakPolarHBondContact CA-O 3.32Å; P550-Q571 HydrophobicContact CB-CB 4.48Å; P550-Y735 HydrophobicContact CB-CE2 3.95Å; P550-Y735 HydrophobicContact CG-CE2 3.94Å; P550-Y919 HydrophobicContact CG-CD1 3.72Å; P550-Y919 HydrophobicContact CG-CD2 3.89Å; P550-Y919 HydrophobicContact CG-CE1 4.32Å; P550-Y919 HydrophobicContact CG-CE2 4.45Å; P550-Y919 HydrophobicContact CG-CG 3.49Å; P550-Y919 VanDerWaalsContact CG-CG 3.49Å; P550-I923 HydrophobicContact CB-CD1 4.29Å; P550-I923 HydrophobicContact CG-CD1 4.34Å | ||
| 551 | I | 88.2 | Confident | 75.3 | Confident | 78 Ų | 78 | 75.3 Ų | 75.3 | 40% | 0.4 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 134.4 | 176.1 | -57.3 | 171.3 | 0 | 0 | 0 | 108 | T547 L553 W569 Y570 | T547-I551 HydrophobicContact CG2-CD1 3.87Å; I551-L553 HydrophobicContact CG2-CD2 4.09Å; I551-L553 PolarHBondContact O-N 3.45Å; I551-W569 CarbonylContact O-C 3.51Å; I551-W569 WeakPolarHBondContact O-CA 3.24Å; I551-Y570 PolarHBondContact N-O 2.9Å; I551-Y570 PolarHBondContact O-N 3.21Å |
| 552 | N | 88.3 | Confident | 76.9 | Confident | 54 Ų | 54 | 75 Ų | 75 | 29% | 0.289 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 109.3 | 172.1 | -172.4 | -31.9 | 0 | 0 | 0 | 109.3 | T554 T555 W569 | N552-T554 WeakPolarHBondContact OD1-CA 3.31Å; N552-T554 WeakPolarHBondContact OD1-CB 3.28Å; N552-T554 PolarHBondContact OD1-N 3Å; N552-T554 PolarHBondContact OD1-OG1 3.42Å; N552-T555 PolarHBondContact O-OG1 3.07Å; N552-W569 HydrophobicContact CB-CD2 4.21Å; N552-W569 HydrophobicContact CB-CE3 3.84Å; N552-W569 HydrophobicContact CB-CH2 3.84Å; N552-W569 HydrophobicContact CB-CZ2 4.17Å; N552-W569 HydrophobicContact CB-CZ3 3.64Å; N552-W569 WeakPolarHBondContact ND2-CZ2 3.37Å |
| 553 | L | 88.4 | Confident | 78.5 | Confident | 6 Ų | 6 | 78 Ų | 78 | 3% | 0.031 | 44% | 0.435 | C | S | . | . | trans | -87.9 | -6.3 | 178 | -63.3 | -176.4 | 0 | 0 | 0 | 112.9 | I551 T555 E556 L568 Y570 C742 A745 K746 | I551-L553 HydrophobicContact CG2-CD2 4.09Å; I551-L553 PolarHBondContact O-N 3.45Å; L553-T555 PolarHBondContact O-N 3.09Å; L553-T555 VanDerWaalsContact O-N 3.15Å; L553-E556 WeakPolarHBondContact O-CB 3.49Å; L553-E556 PolarHBondContact O-N 3.45Å; L553-L568 HydrophobicContact CB-CB 4.44Å; L553-L568 HydrophobicContact CB-CD2 4Å; L553-L568 HydrophobicContact CB-CG 4.12Å; L553-L568 HydrophobicContact CD1-CD2 4.13Å; L553-L568 HydrophobicContact CD1-CG 4.47Å; L553-L568 PolarHBondContact N-O 3.34Å; L553-Y570 VanDerWaalsContact CD1-CB 3.41Å; L553-Y570 HydrophobicContact CD1-CD1 4.24Å; L553-Y570 HydrophobicContact CD1-CG 3.95Å; L553-C742 HydrophobicContact CD1-CB 4.37Å; L553-A745 HydrophobicContact CD1-CB 4.45Å; L553-K746 HydrophobicContact CD1-CG 4.35Å | ||
| 554 | T | 84.5 | Confident | 80.1 | Confident | 22 Ų | 22 | 75.7 Ų | 75.7 | 14% | 0.135 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -56.3 | -33.3 | 177.7 | -48.1 | 0 | 0 | 0 | 0 | 111.9 | N552 E556 F557 G566 S567 L568 | N552-T554 WeakPolarHBondContact OD1-CA 3.31Å; N552-T554 WeakPolarHBondContact OD1-CB 3.28Å; N552-T554 PolarHBondContact OD1-N 3Å; N552-T554 PolarHBondContact OD1-OG1 3.42Å; T554-E556 PolarHBondContact O-N 3.42Å; T554-E556 VanDerWaalsContact O-N 3.17Å; T554-F557 WeakPolarHBondContact O-CB 3.26Å; T554-F557 PolarHBondContact O-N 3.01Å; T554-G566 WeakPolarHBondContact CG2-O 3.16Å; T554-S567 WeakPolarHBondContact OG1-CA 3.43Å; T554-S567 WeakPolarHBondContact OG1-CB 3.38Å; T554-L568 PolarHBondContact N-O 2.86Å; T554-L568 PolarHBondContact OG1-N 3.38Å |
| 555 | T | 81.8 | Confident | 81.5 | Confident | 101 Ų | 101 | 73.6 Ų | 73.6 | 62% | 0.62 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -61.7 | -23.5 | 178.6 | 52.9 | 0 | 0 | 0 | 0 | 113.4 | N552 L553 F557 K558 | N552-T555 PolarHBondContact O-OG1 3.07Å; L553-T555 PolarHBondContact O-N 3.09Å; L553-T555 VanDerWaalsContact O-N 3.15Å; T555-F557 VanDerWaalsContact C-N 3.3Å; T555-K558 VanDerWaalsContact O-CB 3.32Å; T555-K558 WeakPolarHBondContact O-CB 3.46Å; T555-K558 PolarHBondContact O-N 3.2Å |
| 556 | E | 84.1 | Confident | 82.5 | Confident | 107 Ų | 107 | 67.3 Ų | 67.3 | 50% | 0.5 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -75.7 | -19.5 | 175.5 | -61.4 | -171 | -174.4 | 0 | 0 | 112.8 | L553 T554 K558 K746 | L553-E556 WeakPolarHBondContact O-CB 3.49Å; L553-E556 PolarHBondContact O-N 3.45Å; T554-E556 PolarHBondContact O-N 3.42Å; T554-E556 VanDerWaalsContact O-N 3.17Å; E556-K558 VanDerWaalsContact C-N 3.28Å; E556-K746 WeakPolarHBondContact OE2-CD 3.4Å; E556-K746 IonicContact OE2-NZ 2.77Å; E556-K746 PolarHBondContact OE2-NZ 2.95Å |
| 557 | F | 81.5 | Confident | 83.4 | Confident | 17 Ų | 17 | 64.9 Ų | 64.9 | 8% | 0.075 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -86.9 | 4 | 174.9 | -66.3 | -71.3 | 0 | 0 | 0 | 113.2 | T554 T555 G559 T560 F562 L568 K746 F749 T750 | T554-F557 WeakPolarHBondContact O-CB 3.26Å; T554-F557 PolarHBondContact O-N 3.01Å; T555-F557 VanDerWaalsContact C-N 3.3Å; F557-G559 PolarHBondContact O-N 3.21Å; F557-T560 WeakPolarHBondContact CB-OG1 3.46Å; F557-T560 VanDerWaalsContact O-CB 3.3Å; F557-T560 WeakPolarHBondContact O-CB 3.32Å; F557-T560 WeakPolarHBondContact O-CG2 3.48Å; F557-T560 PolarHBondContact O-N 3.48Å; F557-T560 PolarHBondContact O-OG1 2.89Å; F557-F562 HydrophobicContact CB-CB 4.36Å; F557-F562 HydrophobicContact CD1-CB 3.88Å; F557-F562 HydrophobicContact CD1-CD2 4.11Å; F557-F562 HydrophobicContact CD1-CG 4.36Å; F557-F562 HydrophobicContact CE1-CB 4.44Å; F557-F562 HydrophobicContact CE1-CD2 4.38Å; F557-F562 HydrophobicContact CG-CB 4.19Å; F557-L568 HydrophobicContact CE2-CD2 3.88Å; F557-L568 HydrophobicContact CZ-CD2 4.42Å; F557-K746 HydrophobicContact CE2-CG 4.25Å; F557-K746 HydrophobicContact CZ-CB 4Å; F557-K746 HydrophobicContact CZ-CD 4.47Å; F557-K746 HydrophobicContact CZ-CG 3.87Å; F557-F749 AromaticContact CE2-CD1 3.93Å; F557-F749 HydrophobicContact CE2-CD1 3.93Å; F557-F749 HydrophobicContact CE2-CE1 4.36Å; F557-F749 HydrophobicContact CZ-CD1 4.07Å; F557-T750 HydrophobicContact CE1-CG2 3.78Å; F557-T750 HydrophobicContact CZ-CG2 4.13Å |
| 558 | K | 80.1 | Confident | 84.4 | Confident | 161 Ų | 161 | 63.3 Ų | 63.3 | 70% | 0.7 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 124.4 | -176.5 | -163.9 | 174.5 | -171.9 | 176.7 | 0 | 111.4 | T555 E556 T560 E563 | T555-K558 VanDerWaalsContact O-CB 3.32Å; T555-K558 WeakPolarHBondContact O-CB 3.46Å; T555-K558 PolarHBondContact O-N 3.2Å; E556-K558 VanDerWaalsContact C-N 3.28Å; K558-T560 VanDerWaalsContact C-N 3.32Å; K558-E563 WeakPolarHBondContact CA-OE2 3.49Å |
| 559 | G | 79.2 | Confident | 85.5 | Confident | 75 Ų | 75 | 56.1 Ų | 56.1 | 77% | 0.773 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | 6.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F557 E563 | F557-G559 PolarHBondContact O-N 3.21Å; G559-E563 PolarHBondContact N-OE2 2.82Å |
| 560 | T | 84.6 | Confident | 86.1 | Confident | 51 Ų | 51 | 52.7 Ų | 52.7 | 31% | 0.313 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -100.3 | 160.9 | 171.1 | 76.2 | 0 | 0 | 0 | 0 | 110.5 | F557 K558 F562 E563 | F557-T560 WeakPolarHBondContact CB-OG1 3.46Å; F557-T560 VanDerWaalsContact O-CB 3.3Å; F557-T560 WeakPolarHBondContact O-CB 3.32Å; F557-T560 WeakPolarHBondContact O-CG2 3.48Å; F557-T560 PolarHBondContact O-N 3.48Å; F557-T560 PolarHBondContact O-OG1 2.89Å; K558-T560 VanDerWaalsContact C-N 3.32Å; T560-F562 PolarHBondContact O-N 3.04Å; T560-F562 PolarHBondContact OG1-N 2.8Å; T560-E563 PolarHBondContact O-N 3.48Å |
| 561 | P | 79.1 | Confident | 86.3 | Confident | 104 Ų | 104 | 52.5 Ų | 52.5 | 68% | 0.675 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -19 | 174.4 | -24.5 | 34.5 | 0 | 0 | 0 | 114.1 | Y565 | P561-Y565 WeakPolarHBondContact O-CD2 3.09Å; P561-Y565 WeakPolarHBondContact O-CE2 3.41Å |
| 562 | F | 83.2 | Confident | 86.3 | Confident | 66 Ų | 66 | 48.8 Ų | 48.8 | 29% | 0.289 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -14.1 | -175.3 | -53.7 | -69.5 | 0 | 0 | 0 | 113.9 | F557 T560 D564 Y565 T750 I753 | F557-F562 HydrophobicContact CB-CB 4.36Å; F557-F562 HydrophobicContact CD1-CB 3.88Å; F557-F562 HydrophobicContact CD1-CD2 4.11Å; F557-F562 HydrophobicContact CD1-CG 4.36Å; F557-F562 HydrophobicContact CE1-CB 4.44Å; F557-F562 HydrophobicContact CE1-CD2 4.38Å; F557-F562 HydrophobicContact CG-CB 4.19Å; T560-F562 PolarHBondContact O-N 3.04Å; T560-F562 PolarHBondContact OG1-N 2.8Å; F562-D564 VanDerWaalsContact C-N 3.31Å; F562-D564 PolarHBondContact O-N 3.44Å; F562-Y565 PolarHBondContact O-N 2.77Å; F562-T750 HydrophobicContact CD1-CG2 4.2Å; F562-T750 HydrophobicContact CD2-CG2 4.09Å; F562-T750 HydrophobicContact CE1-CG2 4.12Å; F562-T750 HydrophobicContact CE2-CG2 4.03Å; F562-T750 HydrophobicContact CG-CG2 4.18Å; F562-T750 HydrophobicContact CZ-CG2 4.04Å; F562-I753 HydrophobicContact CB-CD1 4.33Å; F562-I753 HydrophobicContact CD1-CB 4.44Å; F562-I753 HydrophobicContact CD1-CD1 3.74Å; F562-I753 HydrophobicContact CD1-CG2 4.2Å; F562-I753 HydrophobicContact CE1-CG2 4.33Å; F562-I753 HydrophobicContact CG-CD1 4.49Å |
| 563 | E | 83.6 | Confident | 85.9 | Confident | 74 Ų | 74 | 47.7 Ų | 47.7 | 35% | 0.346 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -58.3 | -40.2 | -177.2 | -177.2 | 174.5 | -178.6 | 0 | 0 | 112.6 | K558 G559 T560 Y565 | K558-E563 WeakPolarHBondContact CA-OE2 3.49Å; G559-E563 PolarHBondContact N-OE2 2.82Å; T560-E563 PolarHBondContact O-N 3.48Å; E563-Y565 VanDerWaalsContact C-N 3.31Å; E563-Y565 PolarHBondContact O-N 3.35Å |
| 564 | D | 86.6 | Confident | 85 | Confident | 79 Ų | 79 | 48.6 Ų | 48.6 | 42% | 0.422 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -84.4 | -1.8 | -173.9 | -70 | -48.9 | 0 | 0 | 0 | 113.8 | F562 P760 K763 | F562-D564 VanDerWaalsContact C-N 3.31Å; F562-D564 PolarHBondContact O-N 3.44Å; D564-P760 HydrophobicContact CB-CB 3.76Å; D564-P760 HydrophobicContact CB-CG 4.09Å; D564-P760 WeakPolarHBondContact O-CB 3.46Å; D564-K763 WeakPolarHBondContact OD1-CE 3.22Å; D564-K763 IonicContact OD1-NZ 2.77Å; D564-K763 PolarHBondContact OD1-NZ 3.14Å |
| 565 | Y | 89.8 | Confident | 84 | Confident | 31 Ų | 31 | 49.1 Ų | 49.1 | 12% | 0.122 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -84.4 | -8 | -176 | -79.4 | -91 | 0 | 0 | 0 | 114.5 | P561 F562 E563 E731 I732 I753 C758 P760 | P561-Y565 WeakPolarHBondContact O-CD2 3.09Å; P561-Y565 WeakPolarHBondContact O-CE2 3.41Å; F562-Y565 PolarHBondContact O-N 2.77Å; E563-Y565 VanDerWaalsContact C-N 3.31Å; E563-Y565 PolarHBondContact O-N 3.35Å; Y565-E731 WeakPolarHBondContact O-CA 3.48Å; Y565-I732 PolarHBondContact O-N 3.33Å; Y565-I753 HydrophobicContact CD1-CD1 4.29Å; Y565-I753 HydrophobicContact CD1-CG1 4.06Å; Y565-I753 HydrophobicContact CD1-CG2 3.73Å; Y565-I753 HydrophobicContact CD2-CD1 4.22Å; Y565-I753 HydrophobicContact CD2-CG2 4.19Å; Y565-I753 HydrophobicContact CE1-CG2 3.58Å; Y565-I753 HydrophobicContact CE2-CG2 4.05Å; Y565-I753 HydrophobicContact CG-CD1 3.77Å; Y565-I753 HydrophobicContact CG-CG1 4.06Å; Y565-I753 HydrophobicContact CG-CG2 4.01Å; Y565-C758 VanDerWaalsContact CE1-O 3.26Å; Y565-C758 WeakPolarHBondContact CE1-O 3.49Å; Y565-C758 VanDerWaalsContact CE1-SG 3.57Å; Y565-C758 PolarHBondContact OH-O 2.77Å; Y565-P760 HydrophobicContact CD1-CB 4.43Å; Y565-P760 HydrophobicContact CD2-CB 4.39Å; Y565-P760 HydrophobicContact CE2-CG 4.44Å; Y565-P760 HydrophobicContact CG-CB 4.37Å |
| 566 | G | 88.3 | Confident | 82.7 | Confident | 16 Ų | 16 | 51.4 Ų | 51.4 | 17% | 0.165 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 136.4 | -136.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T554 I732 | T554-G566 WeakPolarHBondContact CG2-O 3.16Å; G566-I732 CarbonylContact C-O 3.53Å; G566-I732 WeakPolarHBondContact CA-O 3.37Å |
| 567 | S | 90.7 | Very high | 81.3 | Confident | 24 Ų | 24 | 48.2 Ų | 48.2 | 17% | 0.168 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 142.3 | -178 | 63.4 | 0 | 0 | 0 | 0 | 114.9 | T554 W569 I732 I733 M734 | T554-S567 WeakPolarHBondContact OG1-CA 3.43Å; T554-S567 WeakPolarHBondContact OG1-CB 3.38Å; S567-W569 PolarHBondContact OG-NE1 3.26Å; S567-I732 PolarHBondContact N-O 2.96Å; S567-I733 WeakPolarHBondContact O-CA 3.41Å; S567-M734 PolarHBondContact O-N 3.16Å |
| 568 | L | 94 | Very high | 80.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 123.5 | 174.1 | 178 | 63 | 0 | 0 | 0 | 110.1 | L553 T554 F557 M734 A745 K746 F749 | L553-L568 HydrophobicContact CB-CB 4.44Å; L553-L568 HydrophobicContact CB-CD2 4Å; L553-L568 HydrophobicContact CB-CG 4.12Å; L553-L568 HydrophobicContact CD1-CD2 4.13Å; L553-L568 HydrophobicContact CD1-CG 4.47Å; L553-L568 PolarHBondContact N-O 3.34Å; T554-L568 PolarHBondContact N-O 2.86Å; T554-L568 PolarHBondContact OG1-N 3.38Å; F557-L568 HydrophobicContact CE2-CD2 3.88Å; F557-L568 HydrophobicContact CZ-CD2 4.42Å; L568-M734 CarbonylContact C-O 3.57Å; L568-M734 WeakPolarHBondContact CA-O 3.41Å; L568-M734 HydrophobicContact CD1-CB 3.94Å; L568-M734 HydrophobicContact CD1-CG 3.92Å; L568-M734 HydrophobicContact CD1-SD 4.16Å; L568-A745 HydrophobicContact CD2-CB 4.5Å; L568-K746 HydrophobicContact CD2-CG 4.02Å; L568-F749 HydrophobicContact CB-CD1 4.5Å; L568-F749 HydrophobicContact CB-CD2 4.11Å; L568-F749 HydrophobicContact CB-CE2 4.38Å; L568-F749 HydrophobicContact CB-CG 4.17Å; L568-F749 HydrophobicContact CD1-CB 4.11Å; L568-F749 HydrophobicContact CD1-CD2 4.28Å; L568-F749 HydrophobicContact CD1-CG 4.39Å; L568-F749 HydrophobicContact CD2-CB 3.9Å; L568-F749 HydrophobicContact CD2-CG 4.25Å; L568-F749 HydrophobicContact CG-CB 4.43Å; L568-F749 HydrophobicContact CG-CG 4.5Å |
| 569 | W | 93.5 | Very high | 80.1 | Confident | 27 Ų | 27 | 42.6 Ų | 42.6 | 10% | 0.102 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 144.1 | 175.5 | -63.2 | 83 | 0 | 0 | 0 | 110.4 | P550 I551 N552 S567 M734 Y735 I736 I923 L928 | P550-W569 HydrophobicContact CB-CE3 4.12Å; I551-W569 CarbonylContact O-C 3.51Å; I551-W569 WeakPolarHBondContact O-CA 3.24Å; N552-W569 HydrophobicContact CB-CD2 4.21Å; N552-W569 HydrophobicContact CB-CE3 3.84Å; N552-W569 HydrophobicContact CB-CH2 3.84Å; N552-W569 HydrophobicContact CB-CZ2 4.17Å; N552-W569 HydrophobicContact CB-CZ3 3.64Å; N552-W569 WeakPolarHBondContact ND2-CZ2 3.37Å; S567-W569 PolarHBondContact OG-NE1 3.26Å; W569-M734 PolarHBondContact N-O 3.3Å; W569-Y735 HydrophobicContact CB-CD2 3.74Å; W569-Y735 HydrophobicContact CB-CG 4.32Å; W569-Y735 WeakPolarHBondContact O-CA 3.4Å; W569-I736 PolarHBondContact O-N 3.47Å; W569-I923 HydrophobicContact CB-CD1 3.76Å; W569-I923 HydrophobicContact CB-CG1 4.49Å; W569-I923 VanDerWaalsContact CD1-CG2 3.42Å; W569-I923 HydrophobicContact CD2-CD1 4.23Å; W569-I923 HydrophobicContact CD2-CG1 4.04Å; W569-I923 HydrophobicContact CD2-CG2 4.32Å; W569-I923 HydrophobicContact CE3-CG1 4.43Å; W569-I923 HydrophobicContact CG-CD1 3.87Å; W569-I923 HydrophobicContact CG-CG1 4.07Å; W569-I923 HydrophobicContact CG-CG2 3.91Å; W569-L928 HydrophobicContact CD2-CD1 4.49Å; W569-L928 HydrophobicContact CE3-CD1 3.96Å; W569-L928 HydrophobicContact CH2-CB 4.37Å; W569-L928 HydrophobicContact CH2-CD1 3.94Å; W569-L928 HydrophobicContact CZ2-CD1 4.48Å; W569-L928 HydrophobicContact CZ3-CD1 3.66Å |
| 570 | Y | 93 | Very high | 80.1 | Confident | 6 Ų | 6 | 40 Ų | 40 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 140.6 | -175.8 | 168.5 | -108.3 | 0 | 0 | 0 | 111.4 | E544 P550 I551 L553 Q572 I736 V740 C742 A745 | E544-Y570 PolarHBondContact OE2-OH 3.31Å; P550-Y570 CarbonylContact C-O 3.08Å; P550-Y570 WeakPolarHBondContact CA-O 3.32Å; I551-Y570 PolarHBondContact N-O 2.9Å; I551-Y570 PolarHBondContact O-N 3.21Å; L553-Y570 VanDerWaalsContact CD1-CB 3.41Å; L553-Y570 HydrophobicContact CD1-CD1 4.24Å; L553-Y570 HydrophobicContact CD1-CG 3.95Å; Y570-Q572 HydrophobicContact CE1-CB 4.37Å; Y570-Q572 PolarHBondContact OH-OE1 3.37Å; Y570-I736 CarbonylContact C-O 3.56Å; Y570-I736 WeakPolarHBondContact CA-O 3.3Å; Y570-V740 HydrophobicContact CE2-CG2 4.32Å; Y570-V740 WeakPolarHBondContact CE2-O 3.38Å; Y570-V740 PolarHBondContact OH-O 3.45Å; Y570-C742 HydrophobicContact CD1-CB 4.04Å; Y570-C742 HydrophobicContact CE1-CB 3.76Å; Y570-C742 PolarHBondContact OH-N 2.92Å; Y570-A745 HydrophobicContact CD2-CB 4.07Å |
| 571 | Q | 90.4 | Very high | 80.3 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 120.1 | 172.7 | -173.9 | 178.7 | 2.7 | 0 | 0 | 110.7 | T547 P550 Y735 I736 V737 G738 | T547-Q571 PolarHBondContact O-NE2 3.4Å; T547-Q571 VanDerWaalsContact OG1-CG 3.26Å; T547-Q571 WeakPolarHBondContact OG1-CG 3.46Å; P550-Q571 HydrophobicContact CB-CB 4.48Å; Q571-Y735 HydrophobicContact CB-CE2 3.96Å; Q571-Y735 PolarHBondContact OE1-OH 2.85Å; Q571-I736 PolarHBondContact N-O 2.99Å; Q571-V737 HydrophobicContact CB-CB 4.09Å; Q571-V737 HydrophobicContact CB-CG2 3.71Å; Q571-V737 HydrophobicContact CG-CG2 4.04Å; Q571-V737 VanDerWaalsContact O-CA 3.27Å; Q571-V737 WeakPolarHBondContact O-CA 3.39Å; Q571-V737 WeakPolarHBondContact O-CG2 3.33Å; Q571-G738 PolarHBondContact O-N 2.97Å |
| 572 | Q | 86.9 | Confident | 81 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 126.5 | 171.1 | -178.1 | 62.1 | 33.3 | 0 | 0 | 108.5 | S542 E544 T547 Y570 N574 V740 | S542-Q572 PolarHBondContact OG-NE2 3.24Å; E544-Q572 HydrophobicContact CB-CG 3.98Å; T547-Q572 HydrophobicContact CG2-CB 4.27Å; T547-Q572 PolarHBondContact N-O 3.39Å; T547-Q572 PolarHBondContact OG1-N 2.78Å; T547-Q572 VanDerWaalsContact OG1-N 3.07Å; T547-Q572 PolarHBondContact OG1-O 2.88Å; Y570-Q572 HydrophobicContact CE1-CB 4.37Å; Y570-Q572 PolarHBondContact OH-OE1 3.37Å; Q572-N574 PolarHBondContact NE2-OD1 3.23Å; Q572-V740 PolarHBondContact OE1-O 3.19Å |
| 573 | F | 80.2 | Confident | 81.5 | Confident | 31 Ų | 31 | 29.9 Ų | 29.9 | 14% | 0.136 | 15% | 0.149 | C | C | . | . | trans | -144.2 | 100.2 | 175.8 | -165.7 | -83.4 | 0 | 0 | 0 | 110.3 | N575 V737 G738 D739 L912 I915 | F573-N575 HydrophobicContact CD1-CB 4.07Å; F573-N575 HydrophobicContact CE1-CB 4.01Å; F573-N575 PolarHBondContact O-N 2.98Å; F573-V737 HydrophobicContact CB-CG2 4.21Å; F573-G738 PolarHBondContact N-O 2.62Å; F573-G738 CarbonylContact O-C 3.58Å; F573-G738 VanDerWaalsContact O-C 3.23Å; F573-D739 PolarHBondContact O-N 3.46Å; F573-L912 HydrophobicContact CB-CD1 3.92Å; F573-L912 HydrophobicContact CD1-CB 4.47Å; F573-L912 HydrophobicContact CD1-CD1 3.73Å; F573-L912 HydrophobicContact CE1-CD1 4.45Å; F573-L912 HydrophobicContact CG-CD1 3.87Å; F573-I915 HydrophobicContact CD2-CD1 4.23Å; F573-I915 HydrophobicContact CE1-CD1 4.37Å; F573-I915 HydrophobicContact CE2-CD1 3.39Å; F573-I915 HydrophobicContact CZ-CD1 3.48Å; F573-I915 VanDerWaalsContact CZ-CD1 3.48Å | ||
| 574 | N | 70.1 | Confident | 82.1 | Confident | 24 Ų | 24 | 26.4 Ų | 26.4 | 13% | 0.128 | 13% | 0.133 | C | C | . | . | trans | -80.1 | 85.8 | 177.2 | -62.5 | -51.8 | 0 | 0 | 0 | 110 | E544 D546 Q572 H576 D739 | E544-N574 PolarHBondContact O-ND2 2.99Å; D546-N574 WeakPolarHBondContact OD1-CA 3.26Å; D546-N574 WeakPolarHBondContact OD1-CB 3.31Å; D546-N574 VanDerWaalsContact OD1-CG 3.24Å; D546-N574 PolarHBondContact OD1-N 3.04Å; D546-N574 PolarHBondContact OD1-ND2 3.11Å; Q572-N574 PolarHBondContact NE2-OD1 3.23Å; N574-H576 PolarHBondContact O-N 3.45Å; N574-D739 PolarHBondContact OD1-OD1 2.83Å | ||
| 575 | N | 62.8 | Low | 82.5 | Confident | 33 Ų | 33 | 22.7 Ų | 22.7 | 18% | 0.176 | 11% | 0.113 | C | C | . | . | trans | -75.7 | 93.1 | 166.1 | -170.3 | -3.9 | 0 | 0 | 0 | 109.3 | F573 L577 K578 | F573-N575 HydrophobicContact CD1-CB 4.07Å; F573-N575 HydrophobicContact CE1-CB 4.01Å; F573-N575 PolarHBondContact O-N 2.98Å; N575-L577 PolarHBondContact O-N 3.42Å; N575-L577 PolarHBondContact OD1-N 3.28Å; N575-K578 WeakPolarHBondContact CB-O 3.17Å; N575-K578 CarbonylContact O-C 3.42Å; N575-K578 VanDerWaalsContact O-C 3.26Å; N575-K578 PolarHBondContact O-N 3.46Å | ||
| 576 | H | 55.5 | Low | 82.6 | Confident | 149 Ų | 149 | 21.5 Ų | 21.5 | 69% | 0.69 | 11% | 0.108 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -12.6 | -179.7 | -61.4 | -50.5 | 0 | 0 | 0 | 114.9 | N574 | N574-H576 PolarHBondContact O-N 3.45Š|
| 577 | L | 54.2 | Low | 82.7 | Confident | 41 Ų | 41 | 20.7 Ų | 20.7 | 22% | 0.215 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -26.9 | 178.1 | -64.5 | 165.3 | 0 | 0 | 0 | 113.1 | M1 H20 T21 N575 | M1-L577 HydrophobicContact CE-CD2 4.28Å; H20-L577 HydrophobicContact CB-CD1 3.66Å; H20-L577 HydrophobicContact CB-CD2 3.6Å; H20-L577 HydrophobicContact CB-CG 4.29Å; H20-L577 WeakPolarHBondContact ND1-CD2 3.39Å; T21-L577 HydrophobicContact CG2-CD1 4.44Å; N575-L577 PolarHBondContact O-N 3.42Å; N575-L577 PolarHBondContact OD1-N 3.28Å |
| 578 | K | 62.4 | Low | 82.5 | Confident | 34 Ų | 34 | 20.1 Ų | 20.1 | 15% | 0.148 | 10% | 0.096 | C | C | . | . | trans | -145.1 | 105.9 | -176.6 | -105.4 | 176.6 | 171.5 | -134.8 | 0 | 109 | C425 N575 E580 | C425-K578 HydrophobicContact CB-CD 3.78Å; C425-K578 HydrophobicContact CB-CG 4.47Å; C425-K578 VanDerWaalsContact SG-CD 3.57Å; N575-K578 WeakPolarHBondContact CB-O 3.17Å; N575-K578 CarbonylContact O-C 3.42Å; N575-K578 VanDerWaalsContact O-C 3.26Å; N575-K578 PolarHBondContact O-N 3.46Å; K578-E580 HydrophobicContact CB-CG 4.09Å; K578-E580 HydrophobicContact CD-CG 4.4Å; K578-E580 WeakPolarHBondContact CD-OE1 3.35Å; K578-E580 WeakPolarHBondContact CE-OE1 3.21Å; K578-E580 HydrophobicContact CG-CG 4.25Å; K578-E580 IonicContact NZ-OE1 3.96Å; K578-E580 PolarHBondContact NZ-OE1 3.43Å; K578-E580 IonicContact NZ-OE2 2.61Å; K578-E580 PolarHBondContact NZ-OE2 2.79Å; K578-E580 PolarHBondContact O-N 3.26Å | ||
| 579 | N | 73.9 | Confident | 82.2 | Confident | 25 Ų | 25 | 20.9 Ų | 20.9 | 13% | 0.134 | 10% | 0.101 | C | C | . | . | trans | -71.3 | 68.9 | 171.2 | -165.5 | 7.4 | 0 | 0 | 0 | 110 | P643 C644 D739 | N579-P643 WeakPolarHBondContact O-CA 3.49Å; N579-C644 VanDerWaalsContact C-SG 3.52Å; N579-C644 PolarHBondContact O-N 2.77Å; N579-C644 VanDerWaalsContact O-N 3.11Å; N579-C644 WeakPolarHBondContact OD1-CB 3.34Å; N579-C644 PolarHBondContact OD1-SG 3.07Å; N579-D739 WeakPolarHBondContact OD1-CB 3.45Å; N579-D739 PolarHBondContact OD1-OD2 3.09Å | ||
| 580 | E | 79.5 | Confident | 81.8 | Confident | 21 Ų | 21 | 20 Ų | 20 | 10% | 0.098 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 149.5 | -177.3 | -72.5 | -177.2 | 175.2 | 0 | 0 | 110.9 | K578 R624 G642 C644 G738 L912 | K578-E580 HydrophobicContact CB-CG 4.09Å; K578-E580 HydrophobicContact CD-CG 4.4Å; K578-E580 WeakPolarHBondContact CD-OE1 3.35Å; K578-E580 WeakPolarHBondContact CE-OE1 3.21Å; K578-E580 HydrophobicContact CG-CG 4.25Å; K578-E580 IonicContact NZ-OE1 3.96Å; K578-E580 PolarHBondContact NZ-OE1 3.43Å; K578-E580 IonicContact NZ-OE2 2.61Å; K578-E580 PolarHBondContact NZ-OE2 2.79Å; K578-E580 PolarHBondContact O-N 3.26Å; E580-R624 IonicContact OE1-NH2 2.72Å; E580-G642 VanDerWaalsContact CA-O 3.3Å; E580-G642 WeakPolarHBondContact CA-O 3.47Å; E580-C644 PolarHBondContact O-SG 3.1Å; E580-G738 WeakPolarHBondContact O-CA 3.46Å; E580-L912 HydrophobicContact CB-CD2 4.39Å; E580-L912 WeakPolarHBondContact O-CD2 3.28Å |
| 581 | A | 89 | Confident | 81.4 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 158.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | K641 G642 I647 V737 V740 | A581-K641 WeakPolarHBondContact O-CA 3.46Å; A581-G642 PolarHBondContact N-O 3.38Å; A581-G642 PolarHBondContact O-N 2.79Å; A581-I647 VanDerWaalsContact C-CD1 3.42Å; A581-I647 HydrophobicContact CB-CD1 3.6Å; A581-I647 HydrophobicContact CB-CG2 4.4Å; A581-I647 WeakPolarHBondContact O-CD1 3.23Å; A581-V737 CarbonylContact C-O 3.2Å; A581-V737 VanDerWaalsContact CA-O 3.25Å; A581-V737 WeakPolarHBondContact CA-O 3.34Å; A581-V740 HydrophobicContact CB-CG1 3.61Å; A581-V740 HydrophobicContact CB-CG2 4.23Å |
| 582 | Y | 92.6 | Very high | 80.8 | Confident | 7 Ų | 7 | 26 Ų | 26 | 3% | 0.027 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 137.6 | 177.7 | -72 | -114.7 | 0 | 0 | 0 | 108.9 | Y584 I640 K641 I736 V737 L912 E913 | Y582-Y584 HydrophobicContact CD1-CE2 4.03Å; Y582-Y584 HydrophobicContact CG-CE2 4.21Å; Y582-I640 CarbonylContact C-O 3.41Å; Y582-I640 VanDerWaalsContact CA-O 3.32Å; Y582-I640 WeakPolarHBondContact CA-O 3.37Å; Y582-K641 HydrophobicContact CD1-CB 3.68Å; Y582-K641 HydrophobicContact CD1-CD 4.35Å; Y582-K641 HydrophobicContact CD2-CB 4.3Å; Y582-K641 HydrophobicContact CE1-CB 3.53Å; Y582-K641 HydrophobicContact CE1-CD 3.45Å; Y582-K641 VanDerWaalsContact CE1-CD 3.45Å; Y582-K641 HydrophobicContact CE1-CG 4.14Å; Y582-K641 HydrophobicContact CE2-CB 4.14Å; Y582-K641 HydrophobicContact CG-CB 4.05Å; Y582-K641 WeakPolarHBondContact OH-CD 3.41Å; Y582-I736 WeakPolarHBondContact O-CA 3.49Å; Y582-V737 PolarHBondContact N-O 3.29Å; Y582-V737 PolarHBondContact O-N 3.35Å; Y582-L912 HydrophobicContact CD2-CD2 3.75Å; Y582-L912 HydrophobicContact CD2-CG 3.87Å; Y582-L912 HydrophobicContact CE2-CB 4.5Å; Y582-L912 HydrophobicContact CE2-CD2 3.76Å; Y582-L912 HydrophobicContact CE2-CG 3.88Å; Y582-E913 HydrophobicContact CE1-CB 4.09Å; Y582-E913 HydrophobicContact CE1-CG 3.91Å; Y582-E913 WeakPolarHBondContact OH-CB 3.23Å |
| 583 | I | 95 | Very high | 80.7 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 118 | 170.6 | -60.5 | 172.4 | 0 | 0 | 0 | 107.2 | I585 I639 I640 I647 Y651 M734 I736 L748 | I583-I585 HydrophobicContact CG2-CD1 3.68Å; I583-I585 HydrophobicContact CG2-CG1 4.01Å; I583-I639 WeakPolarHBondContact O-CA 3.26Å; I583-I640 HydrophobicContact CB-CB 4.36Å; I583-I640 PolarHBondContact N-O 3.07Å; I583-I640 PolarHBondContact O-N 3.38Å; I583-I647 HydrophobicContact CD1-CD1 4.02Å; I583-I647 HydrophobicContact CD1-CG1 3.8Å; I583-I647 HydrophobicContact CG1-CD1 3.9Å; I583-I647 HydrophobicContact CG1-CG1 4.25Å; I583-Y651 HydrophobicContact CD1-CG 4.16Å; I583-M734 HydrophobicContact CG2-CE 3.53Å; I583-I736 HydrophobicContact CG1-CD1 4.42Å; I583-I736 HydrophobicContact CG1-CG1 4.29Å; I583-I736 HydrophobicContact CG1-CG2 4.2Å; I583-I736 HydrophobicContact CG2-CG1 4.43Å; I583-L748 HydrophobicContact CD1-CD1 3.9Å |
| 584 | Y | 95.7 | Very high | 80.9 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 131.3 | 171.5 | -65.1 | -96.9 | 0 | 0 | 0 | 109.2 | Y582 F638 I639 M734 Y735 V737 S916 Q917 W920 | Y582-Y584 HydrophobicContact CD1-CE2 4.03Å; Y582-Y584 HydrophobicContact CG-CE2 4.21Å; Y584-F638 WeakPolarHBondContact CA-O 3.42Å; Y584-I639 HydrophobicContact CD1-CB 4.36Å; Y584-I639 HydrophobicContact CD1-CD1 4.18Å; Y584-I639 HydrophobicContact CD1-CG1 3.79Å; Y584-I639 HydrophobicContact CD1-CG2 3.93Å; Y584-I639 HydrophobicContact CE1-CB 4.39Å; Y584-I639 HydrophobicContact CE1-CD1 3.93Å; Y584-I639 HydrophobicContact CE1-CG1 3.96Å; Y584-I639 HydrophobicContact CE1-CG2 3.61Å; Y584-M734 CarbonylContact O-C 3.45Å; Y584-M734 WeakPolarHBondContact O-CA 3.37Å; Y584-Y735 AromaticContact CD2-CD1 3.67Å; Y584-Y735 HydrophobicContact CD2-CD1 3.67Å; Y584-Y735 HydrophobicContact CD2-CE1 4.2Å; Y584-Y735 HydrophobicContact CE2-CD1 4.28Å; Y584-Y735 HydrophobicContact CE2-CE1 4.38Å; Y584-Y735 HydrophobicContact CG-CD1 4.23Å; Y584-Y735 PolarHBondContact N-O 2.94Å; Y584-Y735 PolarHBondContact O-N 3.17Å; Y584-V737 HydrophobicContact CE2-CG1 4.49Å; Y584-S916 PolarHBondContact OH-OG 2.81Å; Y584-Q917 PolarHBondContact OH-N 3.09Å; Y584-W920 VanDerWaalsContact CB-CD2 3.48Å; Y584-W920 HydrophobicContact CD1-CB 3.93Å; Y584-W920 AromaticContact CD1-CD1 3.35Å; Y584-W920 AromaticContact CD1-CD2 3.78Å; Y584-W920 HydrophobicContact CD1-CD2 3.78Å; Y584-W920 AromaticContact CD1-CE2 3.93Å; Y584-W920 AromaticContact CD1-CG 3.41Å; Y584-W920 HydrophobicContact CD1-CG 3.41Å; Y584-W920 VanDerWaalsContact CD1-CG 3.41Å; Y584-W920 AromaticContact CD1-NE1 3.64Å; Y584-W920 HydrophobicContact CE1-CB 4.1Å; Y584-W920 AromaticContact CE1-CD1 3.79Å; Y584-W920 AromaticContact CE1-CG 3.95Å; Y584-W920 HydrophobicContact CE1-CG 3.95Å; Y584-W920 HydrophobicContact CG-CB 4.16Å; Y584-W920 AromaticContact CG-CD2 3.8Å; Y584-W920 HydrophobicContact CG-CD2 3.8Å; Y584-W920 HydrophobicContact CG-CE3 4.17Å; Y584-W920 AromaticContact CG-CG 3.78Å; Y584-W920 HydrophobicContact CG-CG 3.78Å |
| 585 | I | 94.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 134.4 | 177.3 | -70.7 | 152.7 | 0 | 0 | 0 | 109.4 | I583 I587 E637 F638 Y651 I732 I733 M734 | I583-I585 HydrophobicContact CG2-CD1 3.68Å; I583-I585 HydrophobicContact CG2-CG1 4.01Å; I585-I587 HydrophobicContact CG2-CD1 4.31Å; I585-I587 HydrophobicContact CG2-CG1 3.71Å; I585-E637 CarbonylContact O-C 3.54Å; I585-E637 WeakPolarHBondContact O-CA 3.33Å; I585-F638 HydrophobicContact CB-CB 4.36Å; I585-F638 HydrophobicContact CB-CD2 4.39Å; I585-F638 HydrophobicContact CG2-CD2 4.1Å; I585-F638 PolarHBondContact N-O 2.94Å; I585-F638 PolarHBondContact O-N 3.02Å; I585-Y651 HydrophobicContact CD1-CD2 4.29Å; I585-Y651 HydrophobicContact CD1-CE2 3.19Å; I585-Y651 WeakPolarHBondContact CD1-OH 3.41Å; I585-I732 HydrophobicContact CG2-CG2 4.36Å; I585-I733 CarbonylContact C-O 3.26Å; I585-I733 VanDerWaalsContact CA-O 3.31Å; I585-I733 WeakPolarHBondContact CA-O 3.35Å; I585-M734 HydrophobicContact CD1-CE 3.81Å; I585-M734 HydrophobicContact CG1-CB 4.29Å; I585-M734 HydrophobicContact CG1-CE 4.04Å; I585-M734 HydrophobicContact CG1-CG 3.83Å; I585-M734 HydrophobicContact CG1-SD 4.32Å |
| 586 | Q | 92.6 | Very high | 82.8 | Confident | 6 Ų | 6 | 29.5 Ų | 29.5 | 3% | 0.028 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 127.7 | 163.8 | -176.7 | 170.9 | 27.8 | 0 | 0 | 109 | I733 W920 | Q586-I733 HydrophobicContact CB-CB 4.4Å; Q586-I733 PolarHBondContact N-O 3.29Å; Q586-I733 PolarHBondContact O-N 3.25Å; Q586-W920 HydrophobicContact CB-CH2 4.01Å; Q586-W920 HydrophobicContact CB-CZ2 3.97Å |
| 587 | I | 90.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 116.2 | 175.7 | -58.8 | -174.3 | 0 | 0 | 0 | 108.6 | I585 G635 P636 F638 F727 M730 F756 | I585-I587 HydrophobicContact CG2-CD1 4.31Å; I585-I587 HydrophobicContact CG2-CG1 3.71Å; I587-G635 WeakPolarHBondContact O-CA 3.3Å; I587-P636 HydrophobicContact CB-CG 4.42Å; I587-P636 PolarHBondContact N-O 3.39Å; I587-P636 VanDerWaalsContact N-O 3.13Å; I587-P636 WeakPolarHBondContact O-CD 3.48Å; I587-F638 HydrophobicContact CD1-CD2 4.39Å; I587-F638 HydrophobicContact CD1-CE2 3.65Å; I587-F638 HydrophobicContact CD1-CZ 4.49Å; I587-F638 HydrophobicContact CG1-CE2 4.25Å; I587-F727 HydrophobicContact CG2-CD1 4.49Å; I587-F727 HydrophobicContact CG2-CE1 4.48Å; I587-M730 HydrophobicContact CG2-CB 4.35Å; I587-M730 HydrophobicContact CG2-CE 4.48Å; I587-M730 HydrophobicContact CG2-CG 4.19Å; I587-M730 HydrophobicContact CG2-SD 3.34Å; I587-M730 WeakPolarHBondContact CG2-SD 3.42Å; I587-F756 HydrophobicContact CD1-CE2 3.9Å; I587-F756 HydrophobicContact CD1-CZ 3.97Å |
| 588 | S | 87.1 | Confident | 86.1 | Confident | 12 Ų | 12 | 27.9 Ų | 27.9 | 8% | 0.084 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 131.3 | 175.4 | -52.5 | 0 | 0 | 0 | 0 | 110.2 | N634 M730 E731 | S588-N634 WeakPolarHBondContact CA-O 3.34Å; S588-N634 WeakPolarHBondContact CB-O 3.38Å; S588-N634 PolarHBondContact OG-O 3.35Å; S588-N634 VanDerWaalsContact OG-O 3.14Å; S588-M730 CarbonylContact O-C 3.55Å; S588-M730 VanDerWaalsContact O-CA 3.26Å; S588-M730 WeakPolarHBondContact O-CA 3.33Å; S588-E731 PolarHBondContact N-O 3.2Å; S588-E731 PolarHBondContact O-N 3.27Å |
| 589 | T | 87.6 | Confident | 87.3 | Confident | 16 Ų | 16 | 26.7 Ų | 26.7 | 10% | 0.098 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 149 | 176.2 | -172.7 | 0 | 0 | 0 | 0 | 111.6 | M591 Y726 | T589-M591 VanDerWaalsContact C-N 3.27Å; T589-M591 HydrophobicContact CG2-CB 4.13Å; T589-M591 WeakPolarHBondContact OG1-CB 3.42Å; T589-M591 PolarHBondContact OG1-N 3.2Å; T589-M591 VanDerWaalsContact OG1-N 3.12Å; T589-Y726 WeakPolarHBondContact CB-O 3.03Å; T589-Y726 HydrophobicContact CG2-CD2 3.82Å; T589-Y726 HydrophobicContact CG2-CE2 3.35Å; T589-Y726 PolarHBondContact OG1-O 3.47Å |
| 590 | G | 83.3 | Confident | 88.1 | Confident | 8 Ų | 8 | 25.5 Ų | 25.5 | 8% | 0.082 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -79.3 | -7.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q729 | G590-Q729 PolarHBondContact N-O 3.41Š|
| 591 | M | 84.6 | Confident | 88.7 | Confident | 51 Ų | 51 | 25 Ų | 25 | 25% | 0.251 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -74.6 | 127 | 179.7 | -172.1 | 176.9 | -173.6 | 0 | 0 | 111.6 | T589 L593 K598 F722 K725 | T589-M591 VanDerWaalsContact C-N 3.27Å; T589-M591 HydrophobicContact CG2-CB 4.13Å; T589-M591 WeakPolarHBondContact OG1-CB 3.42Å; T589-M591 PolarHBondContact OG1-N 3.2Å; T589-M591 VanDerWaalsContact OG1-N 3.12Å; M591-L593 PolarHBondContact O-N 3.09Å; M591-K598 HydrophobicContact CE-CD 4.02Å; M591-K598 HydrophobicContact CE-CG 4.26Å; M591-F722 HydrophobicContact CE-CD2 4.33Å; M591-F722 HydrophobicContact CE-CE2 4Å; M591-F722 HydrophobicContact SD-CD2 4.34Å; M591-F722 HydrophobicContact SD-CE2 3.8Å; M591-F722 HydrophobicContact SD-CZ 4.34Å; M591-K725 HydrophobicContact SD-CB 4.37Å |
| 592 | E | 79.3 | Confident | 88.9 | Confident | 83 Ų | 83 | 25.1 Ų | 25.1 | 39% | 0.388 | 13% | 0.134 | S | C | . | . | trans | -67.2 | 119.1 | 172.8 | -68.4 | -179.9 | -169.3 | 0 | 0 | 111.7 | N594 K598 | E592-N594 HydrophobicContact CB-CB 4.31Å; E592-N594 PolarHBondContact O-N 2.82Å; E592-N594 PolarHBondContact OE2-ND2 3.11Å; E592-K598 WeakPolarHBondContact O-CD 3.36Å; E592-K598 PolarHBondContact O-NZ 2.64Å | ||
| 593 | L | 83.6 | Confident | 88.7 | Confident | 19 Ų | 19 | 27.3 Ų | 27.3 | 10% | 0.099 | 14% | 0.142 | C | C | . | . | trans | -85.5 | 33.3 | 175.5 | -58.8 | 179.9 | 0 | 0 | 0 | 112.4 | M591 C595 K598 Y700 Y702 F722 | M591-L593 PolarHBondContact O-N 3.09Å; L593-C595 PolarHBondContact O-N 2.81Å; L593-K598 HydrophobicContact CD2-CB 4.12Å; L593-Y700 HydrophobicContact CB-CD2 4.39Å; L593-Y700 HydrophobicContact CB-CG 4.32Å; L593-Y702 PolarHBondContact O-OH 3.42Å; L593-F722 HydrophobicContact CD2-CZ 4.07Å | ||
| 594 | N | 84 | Confident | 88.5 | Confident | 71 Ų | 71 | 27.2 Ų | 27.2 | 38% | 0.38 | 14% | 0.142 | S | C | . | . | trans | -69.2 | 11.1 | -171.3 | 65.2 | 3.6 | 0 | 0 | 0 | 116.5 | E592 K598 Y700 Y702 | E592-N594 HydrophobicContact CB-CB 4.31Å; E592-N594 PolarHBondContact O-N 2.82Å; E592-N594 PolarHBondContact OE2-ND2 3.11Å; N594-K598 PolarHBondContact OD1-NZ 2.92Å; N594-Y700 HydrophobicContact CB-CD1 4.24Å; N594-Y700 HydrophobicContact CB-CE1 3.81Å; N594-Y702 PolarHBondContact O-OH 2.94Å; N594-Y702 VanDerWaalsContact O-OH 3.09Å | ||
| 595 | C | 87.2 | Confident | 88.4 | Confident | 38 Ų | 38 | 27.2 Ų | 27.2 | 26% | 0.257 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -144.3 | 154.4 | 169.9 | 73.3 | 0 | 0 | 0 | 0 | 112.1 | L593 M597 K598 A599 Y702 | L593-C595 PolarHBondContact O-N 2.81Å; C595-M597 PolarHBondContact O-N 2.9Å; C595-M597 VanDerWaalsContact O-N 3.07Å; C595-K598 PolarHBondContact O-N 2.92Å; C595-K598 VanDerWaalsContact O-N 3.1Å; C595-A599 PolarHBondContact O-N 3.11Å; C595-A599 VanDerWaalsContact O-N 3.14Å; C595-Y702 VanDerWaalsContact C-CE2 3.5Å; C595-Y702 VanDerWaalsContact C-CZ 3.47Å; C595-Y702 WeakPolarHBondContact CA-OH 3.47Å; C595-Y702 PolarHBondContact N-OH 2.7Å |
| 596 | P | 85.9 | Confident | 88.2 | Confident | 35 Ų | 35 | 27.4 Ų | 27.4 | 23% | 0.227 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -53.8 | -35 | -179.1 | -25.2 | 31.3 | 0 | 0 | 0 | 113.1 | C600 Y702 S706 | P596-C600 WeakPolarHBondContact O-CB 3.33Å; P596-C600 PolarHBondContact O-N 3.16Å; P596-Y702 HydrophobicContact CB-CD1 4.21Å; P596-Y702 HydrophobicContact CB-CD2 4.5Å; P596-Y702 HydrophobicContact CB-CG 4.17Å; P596-Y702 HydrophobicContact CG-CD1 3.61Å; P596-Y702 HydrophobicContact CG-CE1 3.74Å; P596-Y702 HydrophobicContact CG-CG 4.08Å; P596-S706 VanDerWaalsContact CB-OG 3.29Å; P596-S706 WeakPolarHBondContact CB-OG 2.89Å; P596-S706 VanDerWaalsContact CG-OG 3.28Å; P596-S706 WeakPolarHBondContact CG-OG 3.28Å |
| 597 | M | 90.3 | Very high | 88 | Confident | 105 Ų | 105 | 28 Ų | 28 | 52% | 0.517 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -63.1 | -47.1 | -179 | -158.7 | 177.4 | 76.2 | 0 | 0 | 112.2 | C595 C600 L601 F714 | C595-M597 PolarHBondContact O-N 2.9Å; C595-M597 VanDerWaalsContact O-N 3.07Å; M597-C600 PolarHBondContact O-N 3.49Å; M597-L601 WeakPolarHBondContact O-CG 3.46Å; M597-L601 PolarHBondContact O-N 3.22Å; M597-F714 HydrophobicContact CB-CZ 4.44Å; M597-F714 HydrophobicContact CG-CE1 3.31Å; M597-F714 HydrophobicContact CG-CZ 3.56Å; M597-F714 WeakPolarHBondContact O-CZ 3.46Å; M597-F714 HydrophobicContact SD-CE1 4.13Å |
| 598 | K | 89.8 | Confident | 88 | Confident | 52 Ų | 52 | 28 Ų | 28 | 23% | 0.226 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.9 | -41.8 | 178.8 | -70.2 | 174.3 | -176.9 | 174.2 | 0 | 111.7 | M591 E592 L593 N594 C595 C600 L601 S602 F722 | M591-K598 HydrophobicContact CE-CD 4.02Å; M591-K598 HydrophobicContact CE-CG 4.26Å; E592-K598 WeakPolarHBondContact O-CD 3.36Å; E592-K598 PolarHBondContact O-NZ 2.64Å; L593-K598 HydrophobicContact CD2-CB 4.12Å; N594-K598 PolarHBondContact OD1-NZ 2.92Å; C595-K598 PolarHBondContact O-N 2.92Å; C595-K598 VanDerWaalsContact O-N 3.1Å; K598-C600 VanDerWaalsContact C-N 3.31Å; K598-C600 PolarHBondContact O-N 2.97Å; K598-L601 PolarHBondContact O-N 3.38Å; K598-S602 PolarHBondContact O-N 3.31Å; K598-F722 HydrophobicContact CB-CE2 4.23Å; K598-F722 HydrophobicContact CG-CE2 4.44Å; K598-F722 WeakPolarHBondContact O-CZ 3.23Å |
| 599 | A | 88.1 | Confident | 88.1 | Confident | 8 Ų | 8 | 27.5 Ų | 27.5 | 7% | 0.066 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.8 | -41.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | C595 S602 R603 Y702 L707 | C595-A599 PolarHBondContact O-N 3.11Å; C595-A599 VanDerWaalsContact O-N 3.14Å; A599-S602 WeakPolarHBondContact O-CB 3.43Å; A599-S602 PolarHBondContact O-N 3.22Å; A599-R603 PolarHBondContact O-N 3.36Å; A599-Y702 HydrophobicContact CB-CD2 3.5Å; A599-Y702 VanDerWaalsContact CB-CD2 3.5Å; A599-Y702 HydrophobicContact CB-CE2 3.67Å; A599-L707 HydrophobicContact CB-CD2 4.39Å |
| 600 | C | 90.8 | Very high | 88 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.1 | -42.4 | 176.5 | -162.6 | 0 | 0 | 0 | 0 | 111.9 | P596 M597 K598 S602 R603 L604 L707 L711 F714 | P596-C600 WeakPolarHBondContact O-CB 3.33Å; P596-C600 PolarHBondContact O-N 3.16Å; M597-C600 PolarHBondContact O-N 3.49Å; K598-C600 VanDerWaalsContact C-N 3.31Å; K598-C600 PolarHBondContact O-N 2.97Å; C600-S602 VanDerWaalsContact C-N 3.32Å; C600-S602 PolarHBondContact O-N 3.37Å; C600-R603 PolarHBondContact O-N 3Å; C600-L604 WeakPolarHBondContact O-CB 3.5Å; C600-L604 PolarHBondContact O-N 2.94Å; C600-L707 HydrophobicContact CB-CD2 3.73Å; C600-L707 PolarHBondContact SG-O 3.28Å; C600-L707 VanDerWaalsContact SG-O 3.38Å; C600-L711 WeakPolarHBondContact SG-CD1 3.43Å; C600-F714 HydrophobicContact CB-CE2 3.74Å; C600-F714 HydrophobicContact CB-CZ 4.08Å |
| 601 | L | 92.1 | Very high | 87.8 | Confident | 11 Ų | 11 | 31.7 Ų | 31.7 | 6% | 0.058 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.8 | -36.2 | 172.2 | -76.8 | 169.2 | 0 | 0 | 0 | 112.6 | M597 K598 L604 L605 F714 D718 F722 | M597-L601 WeakPolarHBondContact O-CG 3.46Å; M597-L601 PolarHBondContact O-N 3.22Å; K598-L601 PolarHBondContact O-N 3.38Å; L601-L604 PolarHBondContact O-N 3.32Å; L601-L605 WeakPolarHBondContact O-CB 3.49Å; L601-L605 PolarHBondContact O-N 3.3Å; L601-F714 HydrophobicContact CD1-CE1 4.24Å; L601-F714 HydrophobicContact CD1-CZ 4.36Å; L601-F714 HydrophobicContact CD2-CD1 4.15Å; L601-F714 HydrophobicContact CD2-CD2 3.91Å; L601-F714 HydrophobicContact CD2-CE1 4.25Å; L601-F714 HydrophobicContact CD2-CE2 4.01Å; L601-F714 HydrophobicContact CD2-CG 4.01Å; L601-F714 HydrophobicContact CD2-CZ 4.2Å; L601-F714 HydrophobicContact CG-CD1 4.4Å; L601-F714 HydrophobicContact CG-CD2 4.3Å; L601-F714 HydrophobicContact CG-CE1 4Å; L601-F714 HydrophobicContact CG-CE2 3.88Å; L601-F714 HydrophobicContact CG-CZ 3.73Å; L601-D718 HydrophobicContact CD2-CB 4.31Å; L601-F722 HydrophobicContact CB-CB 4.42Å; L601-F722 HydrophobicContact CB-CD1 3.91Å; L601-F722 HydrophobicContact CB-CD2 3.83Å; L601-F722 HydrophobicContact CB-CE1 4.09Å; L601-F722 HydrophobicContact CB-CE2 4Å; L601-F722 HydrophobicContact CB-CG 3.78Å; L601-F722 HydrophobicContact CB-CZ 4.13Å; L601-F722 HydrophobicContact CD1-CB 4.24Å; L601-F722 HydrophobicContact CD1-CD2 3.88Å; L601-F722 HydrophobicContact CD1-CG 4.16Å; L601-F722 HydrophobicContact CG-CD2 4.49Å; L601-F722 HydrophobicContact CG-CG 4.49Å |
| 602 | S | 91.3 | Very high | 87.6 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.4 | -49.1 | 173.8 | -174 | 0 | 0 | 0 | 0 | 111.6 | K598 A599 C600 L604 L605 Q606 Y726 | K598-S602 PolarHBondContact O-N 3.31Å; A599-S602 WeakPolarHBondContact O-CB 3.43Å; A599-S602 PolarHBondContact O-N 3.22Å; C600-S602 VanDerWaalsContact C-N 3.32Å; C600-S602 PolarHBondContact O-N 3.37Å; S602-L604 VanDerWaalsContact C-N 3.29Å; S602-L604 PolarHBondContact O-N 3.4Å; S602-L605 PolarHBondContact O-N 3.46Å; S602-Q606 VanDerWaalsContact O-CG 3.32Å; S602-Q606 WeakPolarHBondContact O-CG 3.49Å; S602-Q606 PolarHBondContact O-N 3.2Å; S602-Q606 PolarHBondContact OG-NE2 2.96Å; S602-Y726 WeakPolarHBondContact OG-CE2 3.3Å |
| 603 | R | 89.6 | Confident | 87.6 | Confident | 52 Ų | 52 | 26.4 Ų | 26.4 | 20% | 0.196 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.8 | -43.7 | 174.2 | -85.9 | -172.8 | 153.2 | 99.8 | 3.4 | 111.6 | A599 C600 L605 Q606 L607 L674 E701 | A599-R603 PolarHBondContact O-N 3.36Å; C600-R603 PolarHBondContact O-N 3Å; R603-L605 PolarHBondContact O-N 3.43Å; R603-Q606 PolarHBondContact O-N 3.47Å; R603-L607 WeakPolarHBondContact O-CG 3.43Å; R603-L607 PolarHBondContact O-N 3.42Å; R603-L674 HydrophobicContact CB-CD1 4.43Å; R603-L674 HydrophobicContact CB-CD2 4.38Å; R603-E701 IonicContact CZ-OE1 3.1Å; R603-E701 IonicContact NH1-OE1 3.5Å; R603-E701 PolarHBondContact NH1-OE1 2.79Å; R603-E701 IonicContact NH2-OE1 3.7Å; R603-E701 PolarHBondContact NH2-OE1 3.3Å; R603-E701 VanDerWaalsContact NH2-OE1 3.1Å |
| 604 | L | 91.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.5 | -38.9 | 178 | -169.2 | 66.5 | 0 | 0 | 0 | 112.6 | C600 L601 S602 S608 F667 C670 L674 F714 L719 | C600-L604 WeakPolarHBondContact O-CB 3.5Å; C600-L604 PolarHBondContact O-N 2.94Å; L601-L604 PolarHBondContact O-N 3.32Å; S602-L604 VanDerWaalsContact C-N 3.29Å; S602-L604 PolarHBondContact O-N 3.4Å; L604-S608 WeakPolarHBondContact O-CB 3.2Å; L604-S608 PolarHBondContact O-N 3.21Å; L604-F667 HydrophobicContact CD2-CD2 4.31Å; L604-F667 HydrophobicContact CD2-CE2 3.66Å; L604-F667 HydrophobicContact CD2-CZ 4.48Å; L604-C670 HydrophobicContact CD1-CB 3.78Å; L604-L674 HydrophobicContact CB-CD2 4.08Å; L604-L674 HydrophobicContact CD1-CB 4.49Å; L604-L674 HydrophobicContact CD1-CD2 4.01Å; L604-F714 HydrophobicContact CD2-CD2 4.4Å; L604-L719 HydrophobicContact CB-CD1 4.46Å; L604-L719 HydrophobicContact CD2-CD1 4.35Å; L604-L719 HydrophobicContact CG-CD1 4.29Å |
| 605 | L | 92 | Very high | 85.8 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.4 | -46.3 | 174.8 | 176.5 | 60.4 | 0 | 0 | 0 | 111.5 | L601 S602 R603 L607 S608 I609 L719 F722 Q723 Y726 | L601-L605 WeakPolarHBondContact O-CB 3.49Å; L601-L605 PolarHBondContact O-N 3.3Å; S602-L605 PolarHBondContact O-N 3.46Å; R603-L605 PolarHBondContact O-N 3.43Å; L605-L607 VanDerWaalsContact C-N 3.34Å; L605-L607 PolarHBondContact O-N 2.96Å; L605-S608 WeakPolarHBondContact O-CB 3.24Å; L605-S608 PolarHBondContact O-N 3.06Å; L605-S608 VanDerWaalsContact O-N 3.14Å; L605-I609 HydrophobicContact CD1-CD1 4.16Å; L605-I609 HydrophobicContact CD1-CG1 4.33Å; L605-I609 HydrophobicContact CG-CD1 4.01Å; L605-I609 WeakPolarHBondContact O-CG1 3.31Å; L605-I609 PolarHBondContact O-N 3.44Å; L605-L719 HydrophobicContact CB-CD1 3.96Å; L605-L719 HydrophobicContact CD1-CD1 4.39Å; L605-F722 HydrophobicContact CD2-CD1 4.16Å; L605-F722 HydrophobicContact CD2-CE1 4.26Å; L605-Q723 HydrophobicContact CD1-CB 3.92Å; L605-Q723 HydrophobicContact CD1-CG 3.84Å; L605-Q723 HydrophobicContact CD2-CB 4.37Å; L605-Q723 HydrophobicContact CD2-CG 4.48Å; L605-Y726 HydrophobicContact CD2-CD1 3.82Å; L605-Y726 HydrophobicContact CD2-CD2 4.32Å; L605-Y726 HydrophobicContact CD2-CE1 4.45Å; L605-Y726 HydrophobicContact CD2-CG 3.75Å |
| 606 | Q | 91.3 | Very high | 84.5 | Confident | 5 Ų | 5 | 26.9 Ų | 26.9 | 2% | 0.023 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 178.9 | -63.1 | -179.4 | 44.8 | 0 | 0 | 111.4 | S602 R603 I609 K610 T631 N632 P636 | S602-Q606 VanDerWaalsContact O-CG 3.32Å; S602-Q606 WeakPolarHBondContact O-CG 3.49Å; S602-Q606 PolarHBondContact O-N 3.2Å; S602-Q606 PolarHBondContact OG-NE2 2.96Å; R603-Q606 PolarHBondContact O-N 3.47Å; Q606-I609 PolarHBondContact O-N 3.17Å; Q606-K610 WeakPolarHBondContact O-CB 2.97Å; Q606-K610 PolarHBondContact O-N 3.46Å; Q606-T631 HydrophobicContact CB-CG2 3.69Å; Q606-N632 PolarHBondContact NE2-O 3.44Å; Q606-N632 VanDerWaalsContact NE2-O 3.15Å; Q606-N632 PolarHBondContact OE1-O 2.66Å; Q606-P636 HydrophobicContact CG-CB 4.12Å; Q606-P636 HydrophobicContact CG-CG 4.46Å |
| 607 | L | 88.5 | Confident | 82.7 | Confident | 19 Ų | 19 | 31.7 Ų | 31.7 | 10% | 0.099 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.5 | -39.9 | 172.1 | -76.9 | 171.5 | 0 | 0 | 0 | 112.7 | R603 L605 K610 L611 L674 | R603-L607 WeakPolarHBondContact O-CG 3.43Å; R603-L607 PolarHBondContact O-N 3.42Å; L605-L607 VanDerWaalsContact C-N 3.34Å; L605-L607 PolarHBondContact O-N 2.96Å; L607-K610 PolarHBondContact O-N 3.07Å; L607-L611 PolarHBondContact O-N 3.08Å; L607-L674 HydrophobicContact CD1-CB 3.68Å; L607-L674 HydrophobicContact CD1-CD1 3.8Å; L607-L674 HydrophobicContact CD1-CD2 4.34Å; L607-L674 HydrophobicContact CD1-CG 4.13Å |
| 608 | S | 89.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 175.4 | 172.6 | 0 | 0 | 0 | 0 | 111.9 | L604 L605 L611 R612 H666 | L604-S608 WeakPolarHBondContact O-CB 3.2Å; L604-S608 PolarHBondContact O-N 3.21Å; L605-S608 WeakPolarHBondContact O-CB 3.24Å; L605-S608 PolarHBondContact O-N 3.06Å; L605-S608 VanDerWaalsContact O-N 3.14Å; S608-L611 PolarHBondContact O-N 3.41Å; S608-R612 WeakPolarHBondContact O-CB 3.32Å; S608-R612 WeakPolarHBondContact O-CG 3.45Å; S608-R612 PolarHBondContact O-N 2.94Å; S608-R612 PolarHBondContact O-NE 2.66Å; S608-R612 PolarHBondContact OG-NE 2.95Å; S608-H666 PolarHBondContact O-NE2 3.33Å; S608-H666 PolarHBondContact OG-NE2 3.05Å; S608-H666 VanDerWaalsContact OG-NE2 3.15Å |
| 609 | I | 89.2 | Confident | 78.9 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.6 | -48.3 | 175.5 | -66.2 | 160.9 | 0 | 0 | 0 | 109.9 | L605 Q606 L611 R612 S613 V629 F638 V658 F727 | L605-I609 HydrophobicContact CD1-CD1 4.16Å; L605-I609 HydrophobicContact CD1-CG1 4.33Å; L605-I609 HydrophobicContact CG-CD1 4.01Å; L605-I609 WeakPolarHBondContact O-CG1 3.31Å; L605-I609 PolarHBondContact O-N 3.44Å; Q606-I609 PolarHBondContact O-N 3.17Å; I609-L611 VanDerWaalsContact C-N 3.32Å; I609-L611 PolarHBondContact O-N 3.32Å; I609-R612 PolarHBondContact O-N 3.4Å; I609-R612 VanDerWaalsContact O-N 3.17Å; I609-S613 WeakPolarHBondContact O-CB 3.39Å; I609-S613 PolarHBondContact O-N 3.2Å; I609-S613 PolarHBondContact O-OG 3.02Å; I609-V629 HydrophobicContact CG2-CG1 4.3Å; I609-V629 HydrophobicContact CG2-CG2 4.48Å; I609-F638 HydrophobicContact CG2-CE1 3.88Å; I609-F638 HydrophobicContact CG2-CZ 4.19Å; I609-V658 HydrophobicContact CD1-CG1 4.07Å; I609-V658 HydrophobicContact CG1-CG1 4.24Å; I609-V658 HydrophobicContact CG2-CB 4.44Å; I609-V658 HydrophobicContact CG2-CG1 4.19Å; I609-V658 HydrophobicContact CG2-CG2 4.13Å; I609-F727 HydrophobicContact CD1-CZ 3.9Å |
| 610 | K | 86.3 | Confident | 77 | Confident | 87 Ų | 87 | 32.2 Ų | 32.2 | 38% | 0.378 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -56.9 | -42.7 | 179 | -177.8 | 172.8 | -174.4 | 167.5 | 0 | 113 | Q606 L607 S613 S614 V629 | Q606-K610 WeakPolarHBondContact O-CB 2.97Å; Q606-K610 PolarHBondContact O-N 3.46Å; L607-K610 PolarHBondContact O-N 3.07Å; K610-S613 PolarHBondContact O-OG 2.88Å; K610-S614 PolarHBondContact O-N 3.19Å; K610-S614 PolarHBondContact O-OG 2.87Å; K610-V629 HydrophobicContact CB-CB 3.98Å; K610-V629 HydrophobicContact CB-CG1 4.06Å; K610-V629 WeakPolarHBondContact CD-O 3.35Å; K610-V629 HydrophobicContact CG-CB 4.16Å |
| 611 | L | 79.1 | Confident | 74.9 | Confident | 25 Ų | 25 | 36.5 Ų | 36.5 | 13% | 0.131 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.6 | -40.1 | 177.1 | -78.9 | 173.2 | 0 | 0 | 0 | 112.3 | L607 S608 I609 S614 N615 H666 Q669 C670 L673 | L607-L611 PolarHBondContact O-N 3.08Å; S608-L611 PolarHBondContact O-N 3.41Å; I609-L611 VanDerWaalsContact C-N 3.32Å; I609-L611 PolarHBondContact O-N 3.32Å; L611-S614 WeakPolarHBondContact O-CB 3.32Å; L611-S614 PolarHBondContact O-N 2.92Å; L611-N615 PolarHBondContact O-N 2.96Å; L611-H666 WeakPolarHBondContact CB-CE1 3.32Å; L611-Q669 HydrophobicContact CD1-CG 4.43Å; L611-C670 HydrophobicContact CD1-CB 4.48Å; L611-C670 WeakPolarHBondContact CD1-SG 3.45Å; L611-L673 HydrophobicContact CD1-CD1 3.68Å; L611-L673 HydrophobicContact CD2-CD1 4.09Å; L611-L673 HydrophobicContact CG-CD1 4.3Å |
| 612 | R | 81 | Confident | 73.3 | Confident | 21 Ų | 21 | 38.3 Ų | 38.3 | 8% | 0.079 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.3 | -43.3 | 177.8 | -75.9 | -178.7 | -72.1 | 136.9 | -14.2 | 112.2 | S608 I609 S614 N615 C616 S657 V658 N660 | S608-R612 WeakPolarHBondContact O-CB 3.32Å; S608-R612 WeakPolarHBondContact O-CG 3.45Å; S608-R612 PolarHBondContact O-N 2.94Å; S608-R612 PolarHBondContact O-NE 2.66Å; S608-R612 PolarHBondContact OG-NE 2.95Å; I609-R612 PolarHBondContact O-N 3.4Å; I609-R612 VanDerWaalsContact O-N 3.17Å; R612-S614 PolarHBondContact O-N 2.99Å; R612-N615 PolarHBondContact O-N 2.76Å; R612-C616 PolarHBondContact O-N 2.84Å; R612-S657 PolarHBondContact NH1-O 3.18Å; R612-V658 PolarHBondContact NH1-O 3.44Å; R612-V658 PolarHBondContact NH2-O 2.86Å; R612-V658 VanDerWaalsContact NH2-O 3.08Å; R612-N660 VanDerWaalsContact CZ-O 3.24Å; R612-N660 PolarHBondContact NH1-O 2.84Å |
| 613 | S | 78.8 | Confident | 71.6 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.4 | -29.6 | 178.2 | 70.5 | 0 | 0 | 0 | 0 | 112.2 | I609 K610 N615 V629 | I609-S613 WeakPolarHBondContact O-CB 3.39Å; I609-S613 PolarHBondContact O-N 3.2Å; I609-S613 PolarHBondContact O-OG 3.02Å; K610-S613 PolarHBondContact O-OG 2.88Å; S613-N615 VanDerWaalsContact C-N 3.33Å; S613-V629 WeakPolarHBondContact OG-CG2 3.34Å |
| 614 | S | 68.9 | Low | 70.6 | Confident | 51 Ų | 51 | 42 Ų | 42 | 36% | 0.357 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -74.1 | -21.1 | 175 | -57.2 | 0 | 0 | 0 | 0 | 113.7 | K610 L611 R612 | K610-S614 PolarHBondContact O-N 3.19Å; K610-S614 PolarHBondContact O-OG 2.87Å; L611-S614 WeakPolarHBondContact O-CB 3.32Å; L611-S614 PolarHBondContact O-N 2.92Å; R612-S614 PolarHBondContact O-N 2.99Å |
| 615 | N | 60.2 | Low | 69.9 | Low | 60 Ų | 60 | 42.6 Ų | 42.6 | 32% | 0.321 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 4.2 | -174.4 | -71.3 | -10.8 | 0 | 0 | 0 | 113.6 | K320 L611 R612 S613 E617 | K320-N615 VanDerWaalsContact CE-OD1 3.23Å; K320-N615 WeakPolarHBondContact CE-OD1 3.38Å; K320-N615 PolarHBondContact NZ-OD1 3.4Å; L611-N615 PolarHBondContact O-N 2.96Å; R612-N615 PolarHBondContact O-N 2.76Å; S613-N615 VanDerWaalsContact C-N 3.33Å; N615-E617 PolarHBondContact O-N 2.75Å |
| 616 | C | 60.2 | Low | 69.3 | Low | 27 Ų | 27 | 47.2 Ų | 47.2 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | trans | -71.5 | 105.2 | -175.2 | -161.8 | 0 | 0 | 0 | 0 | 110 | R612 L618 L619 | R612-C616 PolarHBondContact O-N 2.84Å; C616-L618 PolarHBondContact O-N 3.39Å; C616-L619 HydrophobicContact CB-CB 4.26Å; C616-L619 HydrophobicContact CB-CD1 3.44Å; C616-L619 VanDerWaalsContact CB-CD1 3.44Å; C616-L619 HydrophobicContact CB-CG 3.68Å; C616-L619 WeakPolarHBondContact O-CB 3.13Å; C616-L619 PolarHBondContact O-N 3.05Å | ||
| 617 | E | 48 | Very low | 69 | Low | 136 Ų | 136 | 48.9 Ų | 48.9 | 64% | 0.636 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -19.6 | -171.3 | -63.8 | 177.5 | 158.2 | 0 | 0 | 114.9 | N615 T620 | N615-E617 PolarHBondContact O-N 2.75Å; E617-T620 PolarHBondContact O-OG1 3.04Å; E617-T620 VanDerWaalsContact O-OG1 3.12Å |
| 618 | L | 48.5 | Very low | 68.9 | Low | 118 Ų | 118 | 50.1 Ų | 50.1 | 62% | 0.618 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -21.5 | 174.2 | -98.7 | 144.2 | 0 | 0 | 0 | 113.1 | C616 T620 | C616-L618 PolarHBondContact O-N 3.39Å; L618-T620 VanDerWaalsContact C-N 3.31Å; L618-T620 PolarHBondContact O-N 2.68Å |
| 619 | L | 51.5 | Low | 68.8 | Low | 15 Ų | 15 | 50.3 Ų | 50.3 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -3.3 | -176.3 | -57.2 | -179.5 | 0 | 0 | 0 | 113 | C616 Y650 E653 F654 | C616-L619 HydrophobicContact CB-CB 4.26Å; C616-L619 HydrophobicContact CB-CD1 3.44Å; C616-L619 VanDerWaalsContact CB-CD1 3.44Å; C616-L619 HydrophobicContact CB-CG 3.68Å; C616-L619 WeakPolarHBondContact O-CB 3.13Å; C616-L619 PolarHBondContact O-N 3.05Å; L619-Y650 HydrophobicContact CB-CE2 3.75Å; L619-Y650 HydrophobicContact CD2-CD1 4.35Å; L619-Y650 HydrophobicContact CD2-CD2 3.67Å; L619-Y650 HydrophobicContact CD2-CE1 4.14Å; L619-Y650 HydrophobicContact CD2-CE2 3.44Å; L619-Y650 VanDerWaalsContact CD2-CE2 3.44Å; L619-Y650 HydrophobicContact CD2-CG 4.14Å; L619-Y650 HydrophobicContact CG-CE2 4.09Å; L619-E653 HydrophobicContact CD2-CB 4.07Å; L619-F654 HydrophobicContact CD1-CB 4.43Å; L619-F654 HydrophobicContact CD1-CD2 4.43Å |
| 620 | T | 48.9 | Very low | 68.6 | Low | 42 Ų | 42 | 53.4 Ų | 53.4 | 26% | 0.258 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -1.5 | 179.7 | 51.7 | 0 | 0 | 0 | 0 | 114 | K310 E617 L618 E622 | K310-T620 HydrophobicContact CB-CG2 3.95Å; E617-T620 PolarHBondContact O-OG1 3.04Å; E617-T620 VanDerWaalsContact O-OG1 3.12Å; L618-T620 VanDerWaalsContact C-N 3.31Å; L618-T620 PolarHBondContact O-N 2.68Å; T620-E622 VanDerWaalsContact C-N 3.31Å |
| 621 | M | 47.4 | Very low | 68.3 | Low | 91 Ų | 91 | 52.1 Ų | 52.1 | 45% | 0.448 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -81.1 | -11.1 | -178 | -56.4 | -146 | 91.4 | 0 | 0 | 113.9 | L529 | L529-M621 HydrophobicContact CB-CE 4.23Å; L529-M621 HydrophobicContact CD1-CE 3.1Å; L529-M621 HydrophobicContact CG-CE 4.25Å |
| 622 | E | 56.7 | Low | 68.1 | Low | 49 Ų | 49 | 53.7 Ų | 53.7 | 23% | 0.229 | 29% | 0.288 | C | S | . | . | trans | -131.3 | 96 | -179.2 | -60.2 | -162.4 | 158.5 | 0 | 0 | 110.9 | V531 T620 R624 M625 K646 | V531-E622 HydrophobicContact CG1-CB 4.48Å; V531-E622 HydrophobicContact CG1-CG 4.26Å; T620-E622 VanDerWaalsContact C-N 3.31Å; E622-R624 PolarHBondContact O-N 3.42Å; E622-M625 HydrophobicContact CB-CG 4.27Å; E622-M625 PolarHBondContact O-N 2.91Å; E622-K646 WeakPolarHBondContact OE1-CD 3.49Å; E622-K646 WeakPolarHBondContact OE1-CE 3.32Å; E622-K646 IonicContact OE1-NZ 3.75Å; E622-K646 PolarHBondContact OE1-NZ 2.67Å; E622-K646 WeakPolarHBondContact OE2-CD 3.23Å; E622-K646 IonicContact OE2-NZ 3.63Å | ||
| 623 | S | 56.5 | Low | 67.5 | Low | 72 Ų | 72 | 55 Ų | 55 | 50% | 0.503 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -19.9 | -175.9 | 58.1 | 0 | 0 | 0 | 0 | 114.9 | ||
| 624 | R | 68.1 | Low | 67.2 | Low | 61 Ų | 61 | 59.1 Ų | 59.1 | 23% | 0.23 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -17.6 | 179.4 | -67.3 | -176.5 | 58.6 | -179.9 | -3.6 | 114.5 | E421 E580 E622 P643 | E421-R624 IonicContact OE2-CZ 3.45Å; E421-R624 IonicContact OE2-NH1 3.95Å; E421-R624 PolarHBondContact OE2-NH1 2.86Å; E421-R624 IonicContact OE2-NH2 3.76Å; E580-R624 IonicContact OE1-NH2 2.72Å; E622-R624 PolarHBondContact O-N 3.42Å; R624-P643 HydrophobicContact CB-CG 4.08Å |
| 625 | M | 77.1 | Confident | 67.8 | Low | 11 Ų | 11 | 56.7 Ų | 56.7 | 5% | 0.054 | 30% | 0.303 | C | S | . | . | trans | -83.1 | 132.9 | 174.6 | -71.8 | -57.7 | -51.9 | 0 | 0 | 109.9 | E622 I640 G642 P643 I647 Y650 | E622-M625 HydrophobicContact CB-CG 4.27Å; E622-M625 PolarHBondContact O-N 2.91Å; M625-I640 HydrophobicContact CE-CG2 3.77Å; M625-G642 VanDerWaalsContact SD-CA 3.6Å; M625-P643 VanDerWaalsContact SD-CD 3.53Å; M625-I647 HydrophobicContact CE-CB 4.42Å; M625-I647 HydrophobicContact CE-CG1 4.04Å; M625-Y650 HydrophobicContact CB-CD2 3.54Å; M625-Y650 HydrophobicContact CB-CE1 4.45Å; M625-Y650 HydrophobicContact CB-CE2 3.34Å; M625-Y650 HydrophobicContact CB-CG 4.17Å; M625-Y650 HydrophobicContact CE-CD1 3.46Å; M625-Y650 VanDerWaalsContact CE-CD1 3.46Å; M625-Y650 HydrophobicContact CE-CD2 4.02Å; M625-Y650 HydrophobicContact CE-CE1 4.04Å; M625-Y650 HydrophobicContact CE-CG 3.45Å; M625-Y650 VanDerWaalsContact CE-CG 3.45Å; M625-Y650 HydrophobicContact CG-CD2 3.61Å; M625-Y650 HydrophobicContact CG-CE2 3.99Å; M625-Y650 HydrophobicContact CG-CG 4.04Å; M625-Y650 HydrophobicContact SD-CG 4.39Å | ||
| 626 | Q | 78.6 | Confident | 69.2 | Low | 99 Ų | 99 | 53.9 Ų | 53.9 | 46% | 0.463 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 144.4 | 177.8 | -58.7 | -177.9 | 7.8 | 0 | 0 | 110.1 | I640 K641 | Q626-I640 WeakPolarHBondContact O-CA 3.42Å; Q626-K641 HydrophobicContact CB-CG 3.83Å; Q626-K641 PolarHBondContact N-O 3.17Å; Q626-K641 PolarHBondContact O-N 2.95Å |
| 627 | N | 86.1 | Confident | 70.8 | Confident | 39 Ų | 39 | 53 Ų | 53 | 21% | 0.209 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 151 | 168.6 | 71.4 | 67.8 | 0 | 0 | 0 | 110.2 | I639 I640 Y650 F654 | N627-I639 CarbonylContact C-O 3.57Å; N627-I639 VanDerWaalsContact CA-O 3.28Å; N627-I639 WeakPolarHBondContact CA-O 3.43Å; N627-I640 HydrophobicContact CB-CG1 4.21Å; N627-Y650 HydrophobicContact CB-CE1 4.26Å; N627-Y650 PolarHBondContact ND2-OH 3.16Å; N627-F654 HydrophobicContact CB-CD2 4.01Å; N627-F654 HydrophobicContact CB-CE2 3.97Å |
| 628 | S | 85.5 | Confident | 72.9 | Confident | 46 Ų | 46 | 46.5 Ų | 46.5 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 144.9 | 167.3 | 68.5 | 0 | 0 | 0 | 0 | 109.8 | I639 | S628-I639 PolarHBondContact N-O 2.66Å; S628-I639 PolarHBondContact O-N 3.44Å; S628-I639 WeakPolarHBondContact OG-CB 3.31Å |
| 629 | V | 88.4 | Confident | 75 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 113.3 | 176.6 | -179.7 | 0 | 0 | 0 | 0 | 107.4 | I609 K610 S613 E637 F638 F654 | I609-V629 HydrophobicContact CG2-CG1 4.3Å; I609-V629 HydrophobicContact CG2-CG2 4.48Å; K610-V629 HydrophobicContact CB-CB 3.98Å; K610-V629 HydrophobicContact CB-CG1 4.06Å; K610-V629 WeakPolarHBondContact CD-O 3.35Å; K610-V629 HydrophobicContact CG-CB 4.16Å; S613-V629 WeakPolarHBondContact OG-CG2 3.34Å; V629-E637 CarbonylContact C-O 3.55Å; V629-E637 WeakPolarHBondContact CA-O 3.48Å; V629-F638 HydrophobicContact CB-CD1 4.34Å; V629-F638 HydrophobicContact CG1-CD1 3.91Å; V629-F638 HydrophobicContact CG1-CE1 3.81Å; V629-F638 HydrophobicContact CG2-CD1 3.89Å; V629-F638 HydrophobicContact CG2-CE1 4.24Å; V629-F654 HydrophobicContact CG2-CE2 4.17Å; V629-F654 HydrophobicContact CG2-CZ 4.04Å |
| 630 | N | 85.5 | Confident | 76.9 | Confident | 65 Ų | 65 | 41 Ų | 41 | 35% | 0.348 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 137 | 175.8 | -68.2 | -25.7 | 0 | 0 | 0 | 109.1 | E637 | N630-E637 HydrophobicContact CB-CB 4.11Å; N630-E637 HydrophobicContact CB-CG 4.47Å; N630-E637 PolarHBondContact N-O 3.02Å; N630-E637 PolarHBondContact O-N 3.03Å |
| 631 | T | 79.5 | Confident | 78.7 | Confident | 59 Ų | 59 | 41 Ų | 41 | 36% | 0.362 | 22% | 0.218 | S | C | . | . | trans | -90.5 | 131.6 | 175.5 | 55.4 | 0 | 0 | 0 | 0 | 109.1 | Q606 | Q606-T631 HydrophobicContact CB-CG2 3.69Š| ||
| 632 | N | 74.4 | Confident | 80.4 | Confident | 59 Ų | 59 | 36.7 Ų | 36.7 | 32% | 0.316 | 20% | 0.198 | S | C | . | . | trans | -143.3 | 157.3 | -177.5 | -154.5 | -17.9 | 0 | 0 | 0 | 110.7 | Q606 N634 G635 | Q606-N632 PolarHBondContact NE2-O 3.44Å; Q606-N632 VanDerWaalsContact NE2-O 3.15Å; Q606-N632 PolarHBondContact OE1-O 2.66Å; N632-N634 VanDerWaalsContact C-N 3.27Å; N632-N634 PolarHBondContact O-N 3.5Å; N632-G635 WeakPolarHBondContact CB-O 3.3Å; N632-G635 PolarHBondContact O-N 3.25Å; N632-G635 VanDerWaalsContact O-N 3.15Å | ||
| 633 | V | 69.5 | Low | 81.5 | Confident | 49 Ų | 49 | 34.8 Ų | 34.8 | 30% | 0.297 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -37.3 | -179.7 | -176 | 0 | 0 | 0 | 0 | 110.7 | G635 E701 | V633-G635 PolarHBondContact O-N 2.73Å; V633-E701 HydrophobicContact CG1-CG 4.21Å; V633-E701 HydrophobicContact CG2-CG 4.1Å |
| 634 | N | 71.4 | Confident | 82.7 | Confident | 89 Ų | 89 | 31.8 Ų | 31.8 | 48% | 0.476 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -4.9 | 179.6 | -66 | -10.2 | 0 | 0 | 0 | 113.3 | S588 N632 | S588-N634 WeakPolarHBondContact CA-O 3.34Å; S588-N634 WeakPolarHBondContact CB-O 3.38Å; S588-N634 PolarHBondContact OG-O 3.35Å; S588-N634 VanDerWaalsContact OG-O 3.14Å; N632-N634 VanDerWaalsContact C-N 3.27Å; N632-N634 PolarHBondContact O-N 3.5Å |
| 635 | G | 82 | Confident | 83.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | 122 | 173.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | I587 N632 V633 Y726 | I587-G635 WeakPolarHBondContact O-CA 3.3Å; N632-G635 WeakPolarHBondContact CB-O 3.3Å; N632-G635 PolarHBondContact O-N 3.25Å; N632-G635 VanDerWaalsContact O-N 3.15Å; V633-G635 PolarHBondContact O-N 2.73Å; G635-Y726 WeakPolarHBondContact CA-OH 3.37Å | ||
| 636 | P | 90 | Very high | 83.2 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -65.4 | 140.1 | -175.6 | 26.6 | -34.5 | 0 | 0 | 0 | 112.1 | I587 Q606 F638 Y726 | I587-P636 HydrophobicContact CB-CG 4.42Å; I587-P636 PolarHBondContact N-O 3.39Å; I587-P636 VanDerWaalsContact N-O 3.13Å; I587-P636 WeakPolarHBondContact O-CD 3.48Å; Q606-P636 HydrophobicContact CG-CB 4.12Å; Q606-P636 HydrophobicContact CG-CG 4.46Å; P636-F638 HydrophobicContact CB-CD1 4.47Å; P636-F638 HydrophobicContact CB-CE1 3.65Å; P636-F638 HydrophobicContact CB-CZ 3.89Å; P636-F638 HydrophobicContact CG-CE1 4.29Å; P636-F638 HydrophobicContact CG-CZ 4.01Å; P636-Y726 VanDerWaalsContact CD-OH 3.27Å; P636-Y726 WeakPolarHBondContact CD-OH 3.35Å | ||
| 637 | E | 92.4 | Very high | 83.6 | Confident | 8 Ų | 8 | 31.8 Ų | 31.8 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 128.4 | 173.3 | 173.8 | -176.4 | 165.8 | 0 | 0 | 109.3 | I585 V629 N630 I639 W920 K924 | I585-E637 CarbonylContact O-C 3.54Å; I585-E637 WeakPolarHBondContact O-CA 3.33Å; V629-E637 CarbonylContact C-O 3.55Å; V629-E637 WeakPolarHBondContact CA-O 3.48Å; N630-E637 HydrophobicContact CB-CB 4.11Å; N630-E637 HydrophobicContact CB-CG 4.47Å; N630-E637 PolarHBondContact N-O 3.02Å; N630-E637 PolarHBondContact O-N 3.03Å; E637-I639 HydrophobicContact CG-CG1 4.49Å; E637-W920 HydrophobicContact CG-CZ2 4.28Å; E637-W920 PolarHBondContact OE1-NE1 3.34Å; E637-K924 IonicContact OE2-NZ 2.97Å |
| 638 | F | 93.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 131.1 | -179.9 | -50.2 | -39.2 | 0 | 0 | 0 | 109.7 | Y584 I585 I587 I609 V629 P636 F654 V658 | Y584-F638 WeakPolarHBondContact CA-O 3.42Å; I585-F638 HydrophobicContact CB-CB 4.36Å; I585-F638 HydrophobicContact CB-CD2 4.39Å; I585-F638 HydrophobicContact CG2-CD2 4.1Å; I585-F638 PolarHBondContact N-O 2.94Å; I585-F638 PolarHBondContact O-N 3.02Å; I587-F638 HydrophobicContact CD1-CD2 4.39Å; I587-F638 HydrophobicContact CD1-CE2 3.65Å; I587-F638 HydrophobicContact CD1-CZ 4.49Å; I587-F638 HydrophobicContact CG1-CE2 4.25Å; I609-F638 HydrophobicContact CG2-CE1 3.88Å; I609-F638 HydrophobicContact CG2-CZ 4.19Å; V629-F638 HydrophobicContact CB-CD1 4.34Å; V629-F638 HydrophobicContact CG1-CD1 3.91Å; V629-F638 HydrophobicContact CG1-CE1 3.81Å; V629-F638 HydrophobicContact CG2-CD1 3.89Å; V629-F638 HydrophobicContact CG2-CE1 4.24Å; P636-F638 HydrophobicContact CB-CD1 4.47Å; P636-F638 HydrophobicContact CB-CE1 3.65Å; P636-F638 HydrophobicContact CB-CZ 3.89Å; P636-F638 HydrophobicContact CG-CE1 4.29Å; P636-F638 HydrophobicContact CG-CZ 4.01Å; F638-F654 HydrophobicContact CB-CE1 3.97Å; F638-F654 HydrophobicContact CB-CZ 4Å; F638-F654 HydrophobicContact CD1-CE1 4.29Å; F638-F654 AromaticContact CD1-CZ 3.91Å; F638-F654 HydrophobicContact CD1-CZ 3.91Å; F638-F654 AromaticContact CD2-CE1 3.89Å; F638-F654 HydrophobicContact CD2-CE1 3.89Å; F638-F654 HydrophobicContact CD2-CZ 4.34Å; F638-F654 HydrophobicContact CE1-CZ 4.46Å; F638-F654 HydrophobicContact CE2-CE1 4.44Å; F638-F654 AromaticContact CG-CE1 3.8Å; F638-F654 HydrophobicContact CG-CE1 3.8Å; F638-F654 AromaticContact CG-CZ 3.83Å; F638-F654 HydrophobicContact CG-CZ 3.83Å; F638-V658 HydrophobicContact CE2-CG1 4.38Å; F638-V658 HydrophobicContact CE2-CG2 4.15Å; F638-V658 HydrophobicContact CZ-CG1 4Å; F638-V658 HydrophobicContact CZ-CG2 4.05Å |
| 639 | I | 92.7 | Very high | 83.7 | Confident | 18 Ų | 18 | 33.9 Ų | 33.9 | 9% | 0.092 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 122.7 | 174.3 | -47.2 | 173 | 0 | 0 | 0 | 107.6 | I583 Y584 N627 S628 E637 | I583-I639 WeakPolarHBondContact O-CA 3.26Å; Y584-I639 HydrophobicContact CD1-CB 4.36Å; Y584-I639 HydrophobicContact CD1-CD1 4.18Å; Y584-I639 HydrophobicContact CD1-CG1 3.79Å; Y584-I639 HydrophobicContact CD1-CG2 3.93Å; Y584-I639 HydrophobicContact CE1-CB 4.39Å; Y584-I639 HydrophobicContact CE1-CD1 3.93Å; Y584-I639 HydrophobicContact CE1-CG1 3.96Å; Y584-I639 HydrophobicContact CE1-CG2 3.61Å; N627-I639 CarbonylContact C-O 3.57Å; N627-I639 VanDerWaalsContact CA-O 3.28Å; N627-I639 WeakPolarHBondContact CA-O 3.43Å; S628-I639 PolarHBondContact N-O 2.66Å; S628-I639 PolarHBondContact O-N 3.44Å; S628-I639 WeakPolarHBondContact OG-CB 3.31Å; E637-I639 HydrophobicContact CG-CG1 4.49Å |
| 640 | I | 91.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 133.6 | 177.2 | -62.4 | 144 | 0 | 0 | 0 | 108.1 | Y582 I583 M625 Q626 N627 I647 Y650 Y651 F654 | Y582-I640 CarbonylContact C-O 3.41Å; Y582-I640 VanDerWaalsContact CA-O 3.32Å; Y582-I640 WeakPolarHBondContact CA-O 3.37Å; I583-I640 HydrophobicContact CB-CB 4.36Å; I583-I640 PolarHBondContact N-O 3.07Å; I583-I640 PolarHBondContact O-N 3.38Å; M625-I640 HydrophobicContact CE-CG2 3.77Å; Q626-I640 WeakPolarHBondContact O-CA 3.42Å; N627-I640 HydrophobicContact CB-CG1 4.21Å; I640-I647 HydrophobicContact CG2-CG1 4.25Å; I640-Y650 HydrophobicContact CG2-CD1 3.68Å; I640-Y650 HydrophobicContact CG2-CE1 3.88Å; I640-Y651 HydrophobicContact CD1-CD2 3.34Å; I640-Y651 HydrophobicContact CD1-CE2 3.95Å; I640-Y651 HydrophobicContact CD1-CG 4.35Å; I640-F654 HydrophobicContact CD1-CD1 3.85Å; I640-F654 HydrophobicContact CD1-CE1 4.19Å; I640-F654 HydrophobicContact CD1-CG 4.22Å |
| 641 | K | 86.9 | Confident | 83.7 | Confident | 41 Ų | 41 | 31.6 Ų | 31.6 | 18% | 0.178 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 148.1 | 178.2 | 65.6 | 178.6 | -177.6 | 178.9 | 0 | 112 | A581 Y582 Q626 E913 | A581-K641 WeakPolarHBondContact O-CA 3.46Å; Y582-K641 HydrophobicContact CD1-CB 3.68Å; Y582-K641 HydrophobicContact CD1-CD 4.35Å; Y582-K641 HydrophobicContact CD2-CB 4.3Å; Y582-K641 HydrophobicContact CE1-CB 3.53Å; Y582-K641 HydrophobicContact CE1-CD 3.45Å; Y582-K641 VanDerWaalsContact CE1-CD 3.45Å; Y582-K641 HydrophobicContact CE1-CG 4.14Å; Y582-K641 HydrophobicContact CE2-CB 4.14Å; Y582-K641 HydrophobicContact CG-CB 4.05Å; Y582-K641 WeakPolarHBondContact OH-CD 3.41Å; Q626-K641 HydrophobicContact CB-CG 3.83Å; Q626-K641 PolarHBondContact N-O 3.17Å; Q626-K641 PolarHBondContact O-N 2.95Å; K641-E913 IonicContact NZ-OE1 2.83Å; K641-E913 PolarHBondContact NZ-OE1 3.24Å; K641-E913 IonicContact NZ-OE2 4Å; K641-E913 PolarHBondContact NZ-OE2 3.12Å |
| 642 | G | 82.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.6 | -164.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E580 A581 M625 | E580-G642 VanDerWaalsContact CA-O 3.3Å; E580-G642 WeakPolarHBondContact CA-O 3.47Å; A581-G642 PolarHBondContact N-O 3.38Å; A581-G642 PolarHBondContact O-N 2.79Å; M625-G642 VanDerWaalsContact SD-CA 3.6Å |
| 643 | P | 79.3 | Confident | 84.7 | Confident | 10 Ų | 10 | 31.9 Ų | 31.9 | 7% | 0.065 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 134.7 | -175.1 | -25.7 | 35.5 | 0 | 0 | 0 | 114.2 | N579 R624 M625 E645 K646 I647 | N579-P643 WeakPolarHBondContact O-CA 3.49Å; R624-P643 HydrophobicContact CB-CG 4.08Å; M625-P643 VanDerWaalsContact SD-CD 3.53Å; P643-E645 VanDerWaalsContact C-N 3.3Å; P643-E645 HydrophobicContact CB-CG 4.46Å; P643-E645 PolarHBondContact O-N 3.44Å; P643-K646 PolarHBondContact O-N 2.81Å; P643-K646 VanDerWaalsContact O-N 3.1Å; P643-I647 PolarHBondContact O-N 3.3Å |
| 644 | C | 82.3 | Confident | 85.6 | Confident | 9 Ų | 9 | 29.5 Ų | 29.5 | 6% | 0.061 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.1 | -39.1 | -175.9 | -63.3 | 0 | 0 | 0 | 0 | 113.6 | N579 E580 K646 I647 D739 V740 | N579-C644 VanDerWaalsContact C-SG 3.52Å; N579-C644 PolarHBondContact O-N 2.77Å; N579-C644 VanDerWaalsContact O-N 3.11Å; N579-C644 WeakPolarHBondContact OD1-CB 3.34Å; N579-C644 PolarHBondContact OD1-SG 3.07Å; E580-C644 PolarHBondContact O-SG 3.1Å; C644-K646 PolarHBondContact O-N 3.31Å; C644-I647 WeakPolarHBondContact O-CG2 3.24Å; C644-D739 WeakPolarHBondContact CB-O 3.41Å; C644-D739 PolarHBondContact SG-O 3.21Å; C644-V740 HydrophobicContact CB-CG1 4.04Å |
| 645 | E | 76.3 | Confident | 86.5 | Confident | 129 Ų | 129 | 25.3 Ų | 25.3 | 60% | 0.603 | 12% | 0.123 | S | C | * | . | H | α-helix | trans | -65.9 | -21.8 | -178.4 | 70.2 | -155.9 | -170.6 | 0 | 0 | 113.5 | P643 | P643-E645 VanDerWaalsContact C-N 3.3Å; P643-E645 HydrophobicContact CB-CG 4.46Å; P643-E645 PolarHBondContact O-N 3.44Å |
| 646 | K | 79.4 | Confident | 86.7 | Confident | 39 Ų | 39 | 29.2 Ų | 29.2 | 17% | 0.17 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -113.2 | -19.5 | -173.5 | -48.9 | -162.8 | 175.7 | -179 | 0 | 113.5 | N532 E622 P643 C644 S648 N649 Y650 | N532-K646 PolarHBondContact O-NZ 3.34Å; E622-K646 WeakPolarHBondContact OE1-CD 3.49Å; E622-K646 WeakPolarHBondContact OE1-CE 3.32Å; E622-K646 IonicContact OE1-NZ 3.75Å; E622-K646 PolarHBondContact OE1-NZ 2.67Å; E622-K646 WeakPolarHBondContact OE2-CD 3.23Å; E622-K646 IonicContact OE2-NZ 3.63Å; P643-K646 PolarHBondContact O-N 2.81Å; P643-K646 VanDerWaalsContact O-N 3.1Å; C644-K646 PolarHBondContact O-N 3.31Å; K646-S648 VanDerWaalsContact C-N 3.26Å; K646-S648 PolarHBondContact O-N 3.18Å; K646-S648 VanDerWaalsContact O-N 3.16Å; K646-N649 PolarHBondContact O-N 2.95Å; K646-Y650 PolarHBondContact O-N 3.41Å |
| 647 | I | 86.2 | Confident | 86.4 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.4 | -37.2 | -172.7 | -159.6 | 167.7 | 0 | 0 | 0 | 113.4 | A581 I583 M625 I640 P643 C644 Y651 V740 | A581-I647 VanDerWaalsContact C-CD1 3.42Å; A581-I647 HydrophobicContact CB-CD1 3.6Å; A581-I647 HydrophobicContact CB-CG2 4.4Å; A581-I647 WeakPolarHBondContact O-CD1 3.23Å; I583-I647 HydrophobicContact CD1-CD1 4.02Å; I583-I647 HydrophobicContact CD1-CG1 3.8Å; I583-I647 HydrophobicContact CG1-CD1 3.9Å; I583-I647 HydrophobicContact CG1-CG1 4.25Å; M625-I647 HydrophobicContact CE-CB 4.42Å; M625-I647 HydrophobicContact CE-CG1 4.04Å; I640-I647 HydrophobicContact CG2-CG1 4.25Å; P643-I647 PolarHBondContact O-N 3.3Å; C644-I647 WeakPolarHBondContact O-CG2 3.24Å; I647-Y651 VanDerWaalsContact O-CB 3.29Å; I647-Y651 WeakPolarHBondContact O-CB 3.16Å; I647-Y651 PolarHBondContact O-N 2.96Å; I647-V740 HydrophobicContact CG2-CG1 4.42Å |
| 648 | S | 88.5 | Confident | 86.1 | Confident | 19 Ų | 19 | 28.9 Ų | 28.9 | 13% | 0.133 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.5 | -49.8 | 179.8 | -178.4 | 0 | 0 | 0 | 0 | 112.2 | K646 Y651 K652 | K646-S648 VanDerWaalsContact C-N 3.26Å; K646-S648 PolarHBondContact O-N 3.18Å; K646-S648 VanDerWaalsContact O-N 3.16Å; S648-Y651 PolarHBondContact O-N 3.3Å; S648-K652 WeakPolarHBondContact O-CG 3.49Å; S648-K652 PolarHBondContact O-N 2.81Å |
| 649 | N | 84.8 | Confident | 85.7 | Confident | 110 Ų | 110 | 31.2 Ų | 31.2 | 59% | 0.588 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -68.3 | -41.8 | -179.9 | -70.7 | -21 | 0 | 0 | 0 | 110.8 | K646 Y651 K652 E653 | K646-N649 PolarHBondContact O-N 2.95Å; N649-Y651 VanDerWaalsContact C-N 3.33Å; N649-Y651 PolarHBondContact O-N 2.8Å; N649-K652 PolarHBondContact O-N 2.84Å; N649-E653 PolarHBondContact O-N 2.79Å; N649-E653 VanDerWaalsContact O-N 3.1Å |
| 650 | Y | 85.6 | Confident | 85.3 | Confident | 22 Ų | 22 | 34.4 Ų | 34.4 | 9% | 0.086 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.4 | -44 | 175.7 | -174.4 | -84.1 | 0 | 0 | 0 | 111.9 | L619 M625 N627 I640 K646 K652 E653 F654 | L619-Y650 HydrophobicContact CB-CE2 3.75Å; L619-Y650 HydrophobicContact CD2-CD1 4.35Å; L619-Y650 HydrophobicContact CD2-CD2 3.67Å; L619-Y650 HydrophobicContact CD2-CE1 4.14Å; L619-Y650 HydrophobicContact CD2-CE2 3.44Å; L619-Y650 VanDerWaalsContact CD2-CE2 3.44Å; L619-Y650 HydrophobicContact CD2-CG 4.14Å; L619-Y650 HydrophobicContact CG-CE2 4.09Å; M625-Y650 HydrophobicContact CB-CD2 3.54Å; M625-Y650 HydrophobicContact CB-CE1 4.45Å; M625-Y650 HydrophobicContact CB-CE2 3.34Å; M625-Y650 HydrophobicContact CB-CG 4.17Å; M625-Y650 HydrophobicContact CE-CD1 3.46Å; M625-Y650 VanDerWaalsContact CE-CD1 3.46Å; M625-Y650 HydrophobicContact CE-CD2 4.02Å; M625-Y650 HydrophobicContact CE-CE1 4.04Å; M625-Y650 HydrophobicContact CE-CG 3.45Å; M625-Y650 VanDerWaalsContact CE-CG 3.45Å; M625-Y650 HydrophobicContact CG-CD2 3.61Å; M625-Y650 HydrophobicContact CG-CE2 3.99Å; M625-Y650 HydrophobicContact CG-CG 4.04Å; M625-Y650 HydrophobicContact SD-CG 4.39Å; N627-Y650 HydrophobicContact CB-CE1 4.26Å; N627-Y650 PolarHBondContact ND2-OH 3.16Å; I640-Y650 HydrophobicContact CG2-CD1 3.68Å; I640-Y650 HydrophobicContact CG2-CE1 3.88Å; K646-Y650 PolarHBondContact O-N 3.41Å; Y650-K652 VanDerWaalsContact C-N 3.34Å; Y650-K652 PolarHBondContact O-N 3.45Å; Y650-E653 PolarHBondContact O-N 3.42Å; Y650-F654 WeakPolarHBondContact O-CB 3.37Å; Y650-F654 PolarHBondContact O-N 3.46Å |
| 651 | Y | 89.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 177.1 | 173.9 | -117.6 | 0 | 0 | 0 | 112.4 | I583 I585 I640 I647 S648 N649 E653 F654 L655 M734 L748 T752 | I583-Y651 HydrophobicContact CD1-CG 4.16Å; I585-Y651 HydrophobicContact CD1-CD2 4.29Å; I585-Y651 HydrophobicContact CD1-CE2 3.19Å; I585-Y651 WeakPolarHBondContact CD1-OH 3.41Å; I640-Y651 HydrophobicContact CD1-CD2 3.34Å; I640-Y651 HydrophobicContact CD1-CE2 3.95Å; I640-Y651 HydrophobicContact CD1-CG 4.35Å; I647-Y651 VanDerWaalsContact O-CB 3.29Å; I647-Y651 WeakPolarHBondContact O-CB 3.16Å; I647-Y651 PolarHBondContact O-N 2.96Å; S648-Y651 PolarHBondContact O-N 3.3Å; N649-Y651 VanDerWaalsContact C-N 3.33Å; N649-Y651 PolarHBondContact O-N 2.8Å; Y651-E653 VanDerWaalsContact C-N 3.34Å; Y651-E653 PolarHBondContact O-N 3Å; Y651-F654 HydrophobicContact CD2-CD1 4.42Å; Y651-F654 WeakPolarHBondContact O-CB 3.35Å; Y651-F654 PolarHBondContact O-N 2.94Å; Y651-L655 HydrophobicContact CD1-CD1 4.22Å; Y651-L655 HydrophobicContact CD2-CG 4.28Å; Y651-L655 HydrophobicContact CE1-CD1 3.56Å; Y651-L655 HydrophobicContact CE1-CG 4.2Å; Y651-L655 HydrophobicContact CE2-CD1 4.05Å; Y651-L655 HydrophobicContact CE2-CD2 3.93Å; Y651-L655 HydrophobicContact CE2-CG 3.78Å; Y651-L655 VanDerWaalsContact CZ-CD1 3.48Å; Y651-L655 PolarHBondContact O-N 2.87Å; Y651-M734 HydrophobicContact CE1-CE 4.1Å; Y651-L748 HydrophobicContact CD1-CB 4.43Å; Y651-L748 HydrophobicContact CD1-CD2 3.61Å; Y651-L748 HydrophobicContact CD1-CG 4.47Å; Y651-L748 HydrophobicContact CE1-CB 4.33Å; Y651-L748 HydrophobicContact CE1-CD2 4.27Å; Y651-T752 WeakPolarHBondContact CE1-OG1 3.45Å; Y651-T752 WeakPolarHBondContact OH-CG2 3.37Å; Y651-T752 PolarHBondContact OH-OG1 2.88Å |
| 652 | K | 89.7 | Confident | 84.4 | Confident | 63 Ų | 63 | 38.6 Ų | 38.6 | 27% | 0.274 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.7 | -40.5 | 179 | -67.3 | 173.5 | -178 | 171.6 | 0 | 112 | S648 N649 Y650 Y751 | S648-K652 WeakPolarHBondContact O-CG 3.49Å; S648-K652 PolarHBondContact O-N 2.81Å; N649-K652 PolarHBondContact O-N 2.84Å; Y650-K652 VanDerWaalsContact C-N 3.34Å; Y650-K652 PolarHBondContact O-N 3.45Å; K652-Y751 HydrophobicContact CB-CE1 4.05Å; K652-Y751 HydrophobicContact CD-CE1 4.44Å; K652-Y751 HydrophobicContact CD-CE2 4.18Å; K652-Y751 HydrophobicContact CG-CD1 4.02Å; K652-Y751 HydrophobicContact CG-CE1 3.6Å; K652-Y751 HydrophobicContact CG-CE2 4.21Å |
| 653 | E | 84.6 | Confident | 84.4 | Confident | 60 Ų | 60 | 42.3 Ų | 42.3 | 28% | 0.28 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.9 | -40.7 | 173.9 | -66.6 | -52.3 | 132.2 | 0 | 0 | 112.1 | L619 N649 Y650 Y651 L655 K656 S657 | L619-E653 HydrophobicContact CD2-CB 4.07Å; N649-E653 PolarHBondContact O-N 2.79Å; N649-E653 VanDerWaalsContact O-N 3.1Å; Y650-E653 PolarHBondContact O-N 3.42Å; Y651-E653 VanDerWaalsContact C-N 3.34Å; Y651-E653 PolarHBondContact O-N 3Å; E653-L655 VanDerWaalsContact C-N 3.29Å; E653-L655 PolarHBondContact O-N 2.96Å; E653-K656 WeakPolarHBondContact O-CB 3.22Å; E653-K656 PolarHBondContact O-N 2.77Å; E653-K656 VanDerWaalsContact O-N 3.12Å; E653-K656 WeakPolarHBondContact OE1-CE 3.47Å; E653-K656 IonicContact OE1-NZ 2.78Å; E653-K656 PolarHBondContact OE1-NZ 2.75Å; E653-K656 WeakPolarHBondContact OE2-CD 3.26Å; E653-K656 WeakPolarHBondContact OE2-CE 3.4Å; E653-K656 IonicContact OE2-NZ 2.79Å; E653-K656 PolarHBondContact OE2-NZ 2.7Å; E653-S657 PolarHBondContact O-N 2.79Å |
| 654 | F | 88.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.2 | -43.1 | 174.4 | 169.2 | -91.4 | 0 | 0 | 0 | 111.5 | L619 N627 V629 F638 I640 Y650 Y651 K656 S657 V658 | L619-F654 HydrophobicContact CD1-CB 4.43Å; L619-F654 HydrophobicContact CD1-CD2 4.43Å; N627-F654 HydrophobicContact CB-CD2 4.01Å; N627-F654 HydrophobicContact CB-CE2 3.97Å; V629-F654 HydrophobicContact CG2-CE2 4.17Å; V629-F654 HydrophobicContact CG2-CZ 4.04Å; F638-F654 HydrophobicContact CB-CE1 3.97Å; F638-F654 HydrophobicContact CB-CZ 4Å; F638-F654 HydrophobicContact CD1-CE1 4.29Å; F638-F654 AromaticContact CD1-CZ 3.91Å; F638-F654 HydrophobicContact CD1-CZ 3.91Å; F638-F654 AromaticContact CD2-CE1 3.89Å; F638-F654 HydrophobicContact CD2-CE1 3.89Å; F638-F654 HydrophobicContact CD2-CZ 4.34Å; F638-F654 HydrophobicContact CE1-CZ 4.46Å; F638-F654 HydrophobicContact CE2-CE1 4.44Å; F638-F654 AromaticContact CG-CE1 3.8Å; F638-F654 HydrophobicContact CG-CE1 3.8Å; F638-F654 AromaticContact CG-CZ 3.83Å; F638-F654 HydrophobicContact CG-CZ 3.83Å; I640-F654 HydrophobicContact CD1-CD1 3.85Å; I640-F654 HydrophobicContact CD1-CE1 4.19Å; I640-F654 HydrophobicContact CD1-CG 4.22Å; Y650-F654 WeakPolarHBondContact O-CB 3.37Å; Y650-F654 PolarHBondContact O-N 3.46Å; Y651-F654 HydrophobicContact CD2-CD1 4.42Å; Y651-F654 WeakPolarHBondContact O-CB 3.35Å; Y651-F654 PolarHBondContact O-N 2.94Å; F654-K656 VanDerWaalsContact C-N 3.28Å; F654-K656 PolarHBondContact O-N 2.82Å; F654-S657 WeakPolarHBondContact O-CA 3.42Å; F654-S657 VanDerWaalsContact O-CB 3.28Å; F654-S657 WeakPolarHBondContact O-CB 3.46Å; F654-S657 PolarHBondContact O-N 2.86Å; F654-S657 PolarHBondContact O-OG 2.66Å; F654-V658 HydrophobicContact CD1-CG2 4.34Å; F654-V658 HydrophobicContact CE1-CG2 3.87Å; F654-V658 HydrophobicContact CZ-CG2 4.21Å; F654-V658 PolarHBondContact O-N 2.86Å |
| 655 | L | 89.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -35.3 | 177.8 | -77.5 | 179.5 | 0 | 0 | 0 | 113.2 | Y651 E653 S657 V658 T659 Y751 T752 F755 F756 | Y651-L655 HydrophobicContact CD1-CD1 4.22Å; Y651-L655 HydrophobicContact CD2-CG 4.28Å; Y651-L655 HydrophobicContact CE1-CD1 3.56Å; Y651-L655 HydrophobicContact CE1-CG 4.2Å; Y651-L655 HydrophobicContact CE2-CD1 4.05Å; Y651-L655 HydrophobicContact CE2-CD2 3.93Å; Y651-L655 HydrophobicContact CE2-CG 3.78Å; Y651-L655 VanDerWaalsContact CZ-CD1 3.48Å; Y651-L655 PolarHBondContact O-N 2.87Å; E653-L655 VanDerWaalsContact C-N 3.29Å; E653-L655 PolarHBondContact O-N 2.96Å; L655-S657 VanDerWaalsContact C-N 3.25Å; L655-S657 PolarHBondContact O-N 2.9Å; L655-V658 WeakPolarHBondContact O-CB 2.94Å; L655-V658 PolarHBondContact O-N 3.26Å; L655-T659 PolarHBondContact O-N 3.02Å; L655-Y751 HydrophobicContact CD1-CD1 3.91Å; L655-Y751 HydrophobicContact CD1-CE1 3.73Å; L655-T752 HydrophobicContact CD1-CG2 4.4Å; L655-F755 HydrophobicContact CB-CD1 4.09Å; L655-F755 HydrophobicContact CB-CE1 3.91Å; L655-F755 HydrophobicContact CB-CG 4.49Å; L655-F755 HydrophobicContact CB-CZ 4.18Å; L655-F755 HydrophobicContact CD1-CD1 4.43Å; L655-F755 HydrophobicContact CD1-CG 4.43Å; L655-F755 WeakPolarHBondContact O-CE1 3.45Å; L655-F756 HydrophobicContact CD2-CE2 3.97Å; L655-F756 HydrophobicContact CD2-CZ 4.19Å |
| 656 | K | 87.3 | Confident | 84.8 | Confident | 82 Ų | 82 | 47.8 Ų | 47.8 | 36% | 0.357 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.1 | -39.6 | 172.9 | -59.1 | 178.5 | -167.5 | 165.9 | 0 | 111.6 | E653 F654 V658 T659 N660 F755 | E653-K656 WeakPolarHBondContact O-CB 3.22Å; E653-K656 PolarHBondContact O-N 2.77Å; E653-K656 VanDerWaalsContact O-N 3.12Å; E653-K656 WeakPolarHBondContact OE1-CE 3.47Å; E653-K656 IonicContact OE1-NZ 2.78Å; E653-K656 PolarHBondContact OE1-NZ 2.75Å; E653-K656 WeakPolarHBondContact OE2-CD 3.26Å; E653-K656 WeakPolarHBondContact OE2-CE 3.4Å; E653-K656 IonicContact OE2-NZ 2.79Å; E653-K656 PolarHBondContact OE2-NZ 2.7Å; F654-K656 VanDerWaalsContact C-N 3.28Å; F654-K656 PolarHBondContact O-N 2.82Å; K656-V658 PolarHBondContact O-N 2.92Å; K656-T659 PolarHBondContact O-N 3.47Å; K656-T659 PolarHBondContact O-OG1 2.71Å; K656-N660 VanDerWaalsContact O-CG 3.25Å; K656-N660 PolarHBondContact O-N 2.88Å; K656-N660 VanDerWaalsContact O-N 3.1Å; K656-N660 PolarHBondContact O-OD1 2.96Å; K656-N660 VanDerWaalsContact O-OD1 3.09Å; K656-F755 HydrophobicContact CG-CE2 4.1Å; K656-F755 HydrophobicContact CG-CZ 4.19Å |
| 657 | S | 83.3 | Confident | 85.2 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -23.7 | 176.8 | 85.7 | 0 | 0 | 0 | 0 | 113.2 | R612 E653 F654 L655 | R612-S657 PolarHBondContact NH1-O 3.18Å; E653-S657 PolarHBondContact O-N 2.79Å; F654-S657 WeakPolarHBondContact O-CA 3.42Å; F654-S657 VanDerWaalsContact O-CB 3.28Å; F654-S657 WeakPolarHBondContact O-CB 3.46Å; F654-S657 PolarHBondContact O-N 2.86Å; F654-S657 PolarHBondContact O-OG 2.66Å; L655-S657 VanDerWaalsContact C-N 3.25Å; L655-S657 PolarHBondContact O-N 2.9Å |
| 658 | V | 87.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -74.5 | -37 | 177.7 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | I609 R612 F638 F654 L655 K656 F727 F756 | I609-V658 HydrophobicContact CD1-CG1 4.07Å; I609-V658 HydrophobicContact CG1-CG1 4.24Å; I609-V658 HydrophobicContact CG2-CB 4.44Å; I609-V658 HydrophobicContact CG2-CG1 4.19Å; I609-V658 HydrophobicContact CG2-CG2 4.13Å; R612-V658 PolarHBondContact NH1-O 3.44Å; R612-V658 PolarHBondContact NH2-O 2.86Å; R612-V658 VanDerWaalsContact NH2-O 3.08Å; F638-V658 HydrophobicContact CE2-CG1 4.38Å; F638-V658 HydrophobicContact CE2-CG2 4.15Å; F638-V658 HydrophobicContact CZ-CG1 4Å; F638-V658 HydrophobicContact CZ-CG2 4.05Å; F654-V658 HydrophobicContact CD1-CG2 4.34Å; F654-V658 HydrophobicContact CE1-CG2 3.87Å; F654-V658 HydrophobicContact CZ-CG2 4.21Å; F654-V658 PolarHBondContact O-N 2.86Å; L655-V658 WeakPolarHBondContact O-CB 2.94Å; L655-V658 PolarHBondContact O-N 3.26Å; K656-V658 PolarHBondContact O-N 2.92Å; V658-F727 HydrophobicContact CG1-CE2 4.37Å; V658-F727 HydrophobicContact CG1-CZ 3.84Å; V658-F756 HydrophobicContact CG1-CE1 4.28Å; V658-F756 HydrophobicContact CG1-CZ 4.1Å |
| 659 | T | 84.5 | Confident | 84.8 | Confident | 49 Ų | 49 | 52.2 Ų | 52.2 | 30% | 0.301 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -95.4 | -12.4 | -176 | 52.6 | 0 | 0 | 0 | 0 | 115 | L655 K656 Q723 F755 F756 | L655-T659 PolarHBondContact O-N 3.02Å; K656-T659 PolarHBondContact O-N 3.47Å; K656-T659 PolarHBondContact O-OG1 2.71Å; T659-Q723 PolarHBondContact O-NE2 2.84Å; T659-F755 HydrophobicContact CG2-CE1 3.67Å; T659-F755 HydrophobicContact CG2-CZ 4.38Å; T659-F756 HydrophobicContact CG2-CD1 3.97Å; T659-F756 HydrophobicContact CG2-CE1 3.61Å |
| 660 | N | 83.1 | Confident | 84.8 | Confident | 85 Ų | 85 | 47 Ų | 47 | 46% | 0.455 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -52.4 | 143.6 | 177.9 | -78.4 | -7.9 | 0 | 0 | 0 | 113.2 | R612 K656 | R612-N660 VanDerWaalsContact CZ-O 3.24Å; R612-N660 PolarHBondContact NH1-O 2.84Å; K656-N660 VanDerWaalsContact O-CG 3.25Å; K656-N660 PolarHBondContact O-N 2.88Å; K656-N660 VanDerWaalsContact O-N 3.1Å; K656-N660 PolarHBondContact O-OD1 2.96Å; K656-N660 VanDerWaalsContact O-OD1 3.09Å |
| 661 | D | 79.9 | Confident | 85 | Confident | 122 Ų | 122 | 48 Ų | 48 | 65% | 0.652 | 24% | 0.238 | S | C | * | . | P | Polyproline II helix | trans | -67.7 | 137 | 176 | -74.2 | -29.4 | 0 | 0 | 0 | 111.1 | M720 | D661-M720 HydrophobicContact CB-CE 3.97Š|
| 662 | A | 79.4 | Confident | 84.7 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 5% | 0.05 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 141.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | I716 L719 M720 | A662-I716 HydrophobicContact CB-CD1 4.48Å; A662-I716 WeakPolarHBondContact O-CD1 3.44Å; A662-L719 HydrophobicContact CB-CD2 4.29Å; A662-M720 WeakPolarHBondContact O-CE 3.31Å |
| 663 | T | 83.9 | Confident | 84.4 | Confident | 79 Ų | 79 | 51.8 Ų | 51.8 | 49% | 0.485 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -85.4 | 165.6 | 167.4 | 66.2 | 0 | 0 | 0 | 0 | 110.9 | E665 H666 F667 I716 | T663-E665 VanDerWaalsContact C-N 3.34Å; T663-E665 PolarHBondContact O-N 3.27Å; T663-H666 PolarHBondContact O-N 3.41Å; T663-H666 VanDerWaalsContact OG1-CB 3.24Å; T663-H666 WeakPolarHBondContact OG1-CB 3.39Å; T663-H666 PolarHBondContact OG1-N 3.05Å; T663-F667 PolarHBondContact O-N 3.37Å; T663-I716 VanDerWaalsContact O-CD1 3.28Å; T663-I716 WeakPolarHBondContact O-CD1 3.32Å |
| 664 | K | 84.1 | Confident | 84.5 | Confident | 140 Ų | 140 | 49 Ų | 49 | 61% | 0.609 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -61.9 | -43.4 | 179.2 | -171.9 | 178.8 | 178.3 | -177.2 | 0 | 111.7 | F667 I668 | K664-F667 PolarHBondContact O-N 3.22Å; K664-I668 HydrophobicContact CG-CD1 4.36Å; K664-I668 WeakPolarHBondContact O-CG1 3.19Å; K664-I668 PolarHBondContact O-N 3.07Å; K664-I668 VanDerWaalsContact O-N 3.09Å |
| 665 | E | 80.3 | Confident | 84.3 | Confident | 108 Ų | 108 | 51.6 Ų | 51.6 | 51% | 0.505 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 177.6 | -64 | 70 | -148.9 | 0 | 0 | 110.5 | T663 F667 I668 Q669 | T663-E665 VanDerWaalsContact C-N 3.34Å; T663-E665 PolarHBondContact O-N 3.27Å; E665-F667 PolarHBondContact O-N 2.72Å; E665-I668 PolarHBondContact O-N 2.91Å; E665-Q669 PolarHBondContact O-N 2.97Å |
| 666 | H | 81.8 | Confident | 83.9 | Confident | 15 Ų | 15 | 53.8 Ų | 53.8 | 7% | 0.069 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 176.8 | -175.5 | 84.9 | 0 | 0 | 0 | 112.1 | S608 L611 T663 I668 Q669 C670 | S608-H666 PolarHBondContact O-NE2 3.33Å; S608-H666 PolarHBondContact OG-NE2 3.05Å; S608-H666 VanDerWaalsContact OG-NE2 3.15Å; L611-H666 WeakPolarHBondContact CB-CE1 3.32Å; T663-H666 PolarHBondContact O-N 3.41Å; T663-H666 VanDerWaalsContact OG1-CB 3.24Å; T663-H666 WeakPolarHBondContact OG1-CB 3.39Å; T663-H666 PolarHBondContact OG1-N 3.05Å; H666-I668 PolarHBondContact O-N 2.83Å; H666-Q669 PolarHBondContact O-N 2.92Å; H666-C670 VanDerWaalsContact CD2-SG 3.59Å; H666-C670 PolarHBondContact NE2-SG 2.98Å; H666-C670 VanDerWaalsContact NE2-SG 3.41Å; H666-C670 PolarHBondContact O-N 3.28Å; H666-C670 PolarHBondContact O-SG 3.39Å |
| 667 | F | 87.7 | Confident | 83.7 | Confident | 14 Ų | 14 | 52.8 Ų | 52.8 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 175.6 | 172.9 | -98 | 0 | 0 | 0 | 112.1 | L604 T663 K664 E665 Q669 C670 K671 F714 T715 I716 L719 | L604-F667 HydrophobicContact CD2-CD2 4.31Å; L604-F667 HydrophobicContact CD2-CE2 3.66Å; L604-F667 HydrophobicContact CD2-CZ 4.48Å; T663-F667 PolarHBondContact O-N 3.37Å; K664-F667 PolarHBondContact O-N 3.22Å; E665-F667 PolarHBondContact O-N 2.72Å; F667-Q669 VanDerWaalsContact C-N 3.3Å; F667-Q669 PolarHBondContact O-N 2.98Å; F667-C670 PolarHBondContact O-N 3.26Å; F667-K671 HydrophobicContact CE1-CD 4.1Å; F667-K671 HydrophobicContact CZ-CD 4.18Å; F667-K671 WeakPolarHBondContact O-CB 3.15Å; F667-K671 PolarHBondContact O-N 3.01Å; F667-F714 HydrophobicContact CZ-CB 4.17Å; F667-F714 WeakPolarHBondContact CZ-O 3.37Å; F667-T715 WeakPolarHBondContact CE2-O 3.45Å; F667-I716 HydrophobicContact CB-CB 4.24Å; F667-I716 HydrophobicContact CB-CD1 4.02Å; F667-I716 HydrophobicContact CB-CG1 4.16Å; F667-I716 HydrophobicContact CD1-CB 4.32Å; F667-I716 HydrophobicContact CD2-CB 4.32Å; F667-I716 HydrophobicContact CG-CB 4.03Å; F667-I716 HydrophobicContact CG-CG1 4.38Å; F667-L719 HydrophobicContact CD2-CB 4.32Å; F667-L719 HydrophobicContact CD2-CD2 3.87Å; F667-L719 HydrophobicContact CE2-CB 4.29Å; F667-L719 HydrophobicContact CE2-CD2 4.45Å |
| 668 | I | 84.7 | Confident | 83.7 | Confident | 99 Ų | 99 | 52.7 Ų | 52.7 | 51% | 0.508 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 177.8 | -68.5 | 166.2 | 0 | 0 | 0 | 110.3 | K664 E665 H666 K671 K672 | K664-I668 HydrophobicContact CG-CD1 4.36Å; K664-I668 WeakPolarHBondContact O-CG1 3.19Å; K664-I668 PolarHBondContact O-N 3.07Å; K664-I668 VanDerWaalsContact O-N 3.09Å; E665-I668 PolarHBondContact O-N 2.91Å; H666-I668 PolarHBondContact O-N 2.83Å; I668-K671 PolarHBondContact O-N 3.25Å; I668-K672 WeakPolarHBondContact O-CB 3.47Å; I668-K672 PolarHBondContact O-N 2.87Å |
| 669 | Q | 81.3 | Confident | 83.3 | Confident | 40 Ų | 40 | 57.9 Ų | 57.9 | 19% | 0.187 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.6 | -47.7 | 177 | -173.4 | 177.2 | 6.3 | 0 | 0 | 112.1 | L611 E665 H666 F667 K671 K672 L673 | L611-Q669 HydrophobicContact CD1-CG 4.43Å; E665-Q669 PolarHBondContact O-N 2.97Å; H666-Q669 PolarHBondContact O-N 2.92Å; F667-Q669 VanDerWaalsContact C-N 3.3Å; F667-Q669 PolarHBondContact O-N 2.98Å; Q669-K671 VanDerWaalsContact C-N 3.3Å; Q669-K671 PolarHBondContact O-N 3.04Å; Q669-K672 PolarHBondContact O-N 3.41Å; Q669-L673 HydrophobicContact CG-CD1 4.3Å; Q669-L673 WeakPolarHBondContact O-CG 3.27Å; Q669-L673 PolarHBondContact O-N 3.22Å |
| 670 | C | 85.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58 | -44.3 | 176.5 | -66 | 0 | 0 | 0 | 0 | 111.3 | L604 L611 H666 F667 L673 L674 | L604-C670 HydrophobicContact CD1-CB 3.78Å; L611-C670 HydrophobicContact CD1-CB 4.48Å; L611-C670 WeakPolarHBondContact CD1-SG 3.45Å; H666-C670 VanDerWaalsContact CD2-SG 3.59Å; H666-C670 PolarHBondContact NE2-SG 2.98Å; H666-C670 VanDerWaalsContact NE2-SG 3.41Å; H666-C670 PolarHBondContact O-N 3.28Å; H666-C670 PolarHBondContact O-SG 3.39Å; F667-C670 PolarHBondContact O-N 3.26Å; C670-L673 PolarHBondContact O-N 2.91Å; C670-L674 WeakPolarHBondContact O-CB 3.44Å; C670-L674 PolarHBondContact O-N 3Å |
| 671 | K | 88.7 | Confident | 82.5 | Confident | 44 Ų | 44 | 56.7 Ų | 56.7 | 19% | 0.191 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 178.5 | -173.4 | 169.2 | 179.7 | 167.4 | 0 | 111 | F667 I668 Q669 L674 I675 L711 K712 F714 | F667-K671 HydrophobicContact CE1-CD 4.1Å; F667-K671 HydrophobicContact CZ-CD 4.18Å; F667-K671 WeakPolarHBondContact O-CB 3.15Å; F667-K671 PolarHBondContact O-N 3.01Å; I668-K671 PolarHBondContact O-N 3.25Å; Q669-K671 VanDerWaalsContact C-N 3.3Å; Q669-K671 PolarHBondContact O-N 3.04Å; K671-L674 PolarHBondContact O-N 3.41Å; K671-I675 HydrophobicContact CG-CD1 4.25Å; K671-I675 VanDerWaalsContact O-CG1 3.23Å; K671-I675 WeakPolarHBondContact O-CG1 3.32Å; K671-I675 PolarHBondContact O-N 2.9Å; K671-L711 WeakPolarHBondContact CE-O 3.47Å; K671-L711 HydrophobicContact CG-CD2 3.78Å; K671-L711 HydrophobicContact CG-CG 4.09Å; K671-L711 PolarHBondContact NZ-O 2.71Å; K671-K712 PolarHBondContact NZ-O 2.82Å; K671-F714 PolarHBondContact NZ-O 3.1Å; K671-F714 VanDerWaalsContact NZ-O 3.15Å |
| 672 | K | 83.5 | Confident | 82.1 | Confident | 82 Ų | 82 | 51.8 Ų | 51.8 | 36% | 0.357 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.7 | -47.7 | 176.4 | -171.5 | -174.6 | 178.3 | -158.2 | 0 | 111.8 | I668 Q669 L674 I675 E676 | I668-K672 WeakPolarHBondContact O-CB 3.47Å; I668-K672 PolarHBondContact O-N 2.87Å; Q669-K672 PolarHBondContact O-N 3.41Å; K672-L674 VanDerWaalsContact C-N 3.35Å; K672-L674 PolarHBondContact O-N 3.27Å; K672-I675 WeakPolarHBondContact O-CB 3.25Å; K672-I675 PolarHBondContact O-N 3.39Å; K672-E676 WeakPolarHBondContact CE-OE1 3.16Å; K672-E676 IonicContact NZ-OE1 2.61Å; K672-E676 WeakPolarHBondContact O-CG 3.39Å; K672-E676 PolarHBondContact O-N 3.28Å |
| 673 | L | 82.6 | Confident | 81.5 | Confident | 60 Ų | 60 | 53 Ų | 53 | 31% | 0.314 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 179.2 | -71.2 | 171.6 | 0 | 0 | 0 | 112.3 | L611 Q669 C670 I675 E676 E677 | L611-L673 HydrophobicContact CD1-CD1 3.68Å; L611-L673 HydrophobicContact CD2-CD1 4.09Å; L611-L673 HydrophobicContact CG-CD1 4.3Å; Q669-L673 HydrophobicContact CG-CD1 4.3Å; Q669-L673 WeakPolarHBondContact O-CG 3.27Å; Q669-L673 PolarHBondContact O-N 3.22Å; C670-L673 PolarHBondContact O-N 2.91Å; L673-I675 VanDerWaalsContact C-N 3.33Å; L673-I675 PolarHBondContact O-N 3.44Å; L673-E676 PolarHBondContact O-N 3.26Å; L673-E677 WeakPolarHBondContact O-CB 3.37Å; L673-E677 PolarHBondContact O-N 3.35Å |
| 674 | L | 87 | Confident | 80.6 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.2 | -36.7 | 176.3 | -176.3 | 53 | 0 | 0 | 0 | 111.7 | R603 L604 L607 C670 K671 K672 E677 L678 L711 | R603-L674 HydrophobicContact CB-CD1 4.43Å; R603-L674 HydrophobicContact CB-CD2 4.38Å; L604-L674 HydrophobicContact CB-CD2 4.08Å; L604-L674 HydrophobicContact CD1-CB 4.49Å; L604-L674 HydrophobicContact CD1-CD2 4.01Å; L607-L674 HydrophobicContact CD1-CB 3.68Å; L607-L674 HydrophobicContact CD1-CD1 3.8Å; L607-L674 HydrophobicContact CD1-CD2 4.34Å; L607-L674 HydrophobicContact CD1-CG 4.13Å; C670-L674 WeakPolarHBondContact O-CB 3.44Å; C670-L674 PolarHBondContact O-N 3Å; K671-L674 PolarHBondContact O-N 3.41Å; K672-L674 VanDerWaalsContact C-N 3.35Å; K672-L674 PolarHBondContact O-N 3.27Å; L674-E677 PolarHBondContact O-N 2.97Å; L674-L678 HydrophobicContact CD1-CD1 4.03Å; L674-L678 HydrophobicContact CD1-CD2 4.48Å; L674-L678 HydrophobicContact CD1-CG 4Å; L674-L678 HydrophobicContact CG-CD1 4Å; L674-L678 HydrophobicContact CG-CG 4.42Å; L674-L678 WeakPolarHBondContact O-CB 3.38Å; L674-L678 WeakPolarHBondContact O-CG 3.32Å; L674-L678 PolarHBondContact O-N 3.03Å; L674-L711 HydrophobicContact CD2-CD1 3.55Å; L674-L711 HydrophobicContact CG-CD1 4.25Å |
| 675 | I | 84.9 | Confident | 79.7 | Confident | 56 Ų | 56 | 46.3 Ų | 46.3 | 29% | 0.287 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.5 | -47.9 | 172.4 | -71.7 | 168.1 | 0 | 0 | 0 | 110.3 | K671 K672 L673 L678 Y679 L708 L711 | K671-I675 HydrophobicContact CG-CD1 4.25Å; K671-I675 VanDerWaalsContact O-CG1 3.23Å; K671-I675 WeakPolarHBondContact O-CG1 3.32Å; K671-I675 PolarHBondContact O-N 2.9Å; K672-I675 WeakPolarHBondContact O-CB 3.25Å; K672-I675 PolarHBondContact O-N 3.39Å; L673-I675 VanDerWaalsContact C-N 3.33Å; L673-I675 PolarHBondContact O-N 3.44Å; I675-L678 PolarHBondContact O-N 3.34Å; I675-Y679 HydrophobicContact CG2-CD2 3.44Å; I675-Y679 VanDerWaalsContact CG2-CD2 3.44Å; I675-Y679 HydrophobicContact CG2-CE2 3.47Å; I675-Y679 VanDerWaalsContact CG2-CE2 3.47Å; I675-Y679 WeakPolarHBondContact O-CB 3.49Å; I675-Y679 VanDerWaalsContact O-CD2 3.25Å; I675-Y679 WeakPolarHBondContact O-CD2 3.32Å; I675-Y679 PolarHBondContact O-N 3.24Å; I675-L708 HydrophobicContact CG1-CD2 4.36Å; I675-L708 HydrophobicContact CG2-CD2 4.34Å; I675-L711 HydrophobicContact CD1-CD2 3.87Å; I675-L711 HydrophobicContact CG1-CD2 3.26Å |
| 676 | E | 80.7 | Confident | 79 | Confident | 45 Ų | 45 | 42.6 Ų | 42.6 | 21% | 0.21 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.1 | -44.3 | 178.1 | -72 | 172.1 | -170.7 | 0 | 0 | 111.6 | K672 L673 Y679 N680 | K672-E676 WeakPolarHBondContact CE-OE1 3.16Å; K672-E676 IonicContact NZ-OE1 2.61Å; K672-E676 WeakPolarHBondContact O-CG 3.39Å; K672-E676 PolarHBondContact O-N 3.28Å; L673-E676 PolarHBondContact O-N 3.26Å; E676-Y679 PolarHBondContact O-N 2.92Å; E676-N680 WeakPolarHBondContact O-CB 3.39Å; E676-N680 PolarHBondContact O-N 3.36Å; E676-N680 PolarHBondContact O-ND2 2.82Å |
| 677 | E | 82.8 | Confident | 78.5 | Confident | 62 Ų | 62 | 44.6 Ų | 44.6 | 29% | 0.29 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57.9 | -49.6 | 176.1 | -175.2 | -177.5 | 156.1 | 0 | 0 | 111.6 | L673 L674 N680 Q681 | L673-E677 WeakPolarHBondContact O-CB 3.37Å; L673-E677 PolarHBondContact O-N 3.35Å; L674-E677 PolarHBondContact O-N 2.97Å; E677-N680 PolarHBondContact O-N 3.16Å; E677-Q681 PolarHBondContact O-N 2.91Å |
| 678 | L | 83.6 | Confident | 77.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.6 | -36.6 | -178.8 | -65.3 | 171.2 | 0 | 0 | 0 | 112.2 | L674 I675 Q681 L682 A704 L707 L708 | L674-L678 HydrophobicContact CD1-CD1 4.03Å; L674-L678 HydrophobicContact CD1-CD2 4.48Å; L674-L678 HydrophobicContact CD1-CG 4Å; L674-L678 HydrophobicContact CG-CD1 4Å; L674-L678 HydrophobicContact CG-CG 4.42Å; L674-L678 WeakPolarHBondContact O-CB 3.38Å; L674-L678 WeakPolarHBondContact O-CG 3.32Å; L674-L678 PolarHBondContact O-N 3.03Å; I675-L678 PolarHBondContact O-N 3.34Å; L678-Q681 PolarHBondContact O-N 2.92Å; L678-L682 WeakPolarHBondContact O-CG 3.48Å; L678-L682 PolarHBondContact O-N 3.44Å; L678-A704 HydrophobicContact CD2-CB 4.07Å; L678-L707 HydrophobicContact CD1-CB 3.84Å; L678-L707 HydrophobicContact CD2-CB 4.14Å; L678-L707 HydrophobicContact CD2-CD1 3.87Å; L678-L708 HydrophobicContact CB-CD1 3.99Å; L678-L708 HydrophobicContact CB-CD2 4.04Å; L678-L708 HydrophobicContact CB-CG 3.74Å; L678-L708 HydrophobicContact CD1-CD2 4.15Å; L678-L708 HydrophobicContact CD1-CG 3.89Å; L678-L708 HydrophobicContact CG-CG 4.46Å |
| 679 | Y | 78.8 | Confident | 76.9 | Confident | 108 Ų | 108 | 40 Ų | 40 | 42% | 0.424 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68.3 | -39.2 | 173 | -86.5 | -62.5 | 0 | 0 | 0 | 112.2 | I675 E676 Q681 L682 S683 L708 | I675-Y679 HydrophobicContact CG2-CD2 3.44Å; I675-Y679 VanDerWaalsContact CG2-CD2 3.44Å; I675-Y679 HydrophobicContact CG2-CE2 3.47Å; I675-Y679 VanDerWaalsContact CG2-CE2 3.47Å; I675-Y679 WeakPolarHBondContact O-CB 3.49Å; I675-Y679 VanDerWaalsContact O-CD2 3.25Å; I675-Y679 WeakPolarHBondContact O-CD2 3.32Å; I675-Y679 PolarHBondContact O-N 3.24Å; E676-Y679 PolarHBondContact O-N 2.92Å; Y679-Q681 VanDerWaalsContact C-N 3.3Å; Y679-Q681 PolarHBondContact O-N 2.76Å; Y679-L682 CarbonylContact O-C 3.59Å; Y679-L682 WeakPolarHBondContact O-CA 3.27Å; Y679-L682 PolarHBondContact O-N 3.31Å; Y679-L682 VanDerWaalsContact O-N 3.12Å; Y679-S683 WeakPolarHBondContact O-CB 3.35Å; Y679-S683 PolarHBondContact O-N 3.41Å; Y679-S683 PolarHBondContact O-OG 3.19Å; Y679-L708 HydrophobicContact CD1-CD1 4.41Å; Y679-L708 HydrophobicContact CD2-CD2 4.35Å; Y679-L708 HydrophobicContact CE1-CD1 4.33Å; Y679-L708 HydrophobicContact CE2-CD2 4.12Å |
| 680 | N | 74.3 | Confident | 76.5 | Confident | 76 Ų | 76 | 42.5 Ų | 42.5 | 41% | 0.406 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 175.4 | -70 | -20.4 | 0 | 0 | 0 | 110.6 | E676 E677 L682 S683 D684 | E676-N680 WeakPolarHBondContact O-CB 3.39Å; E676-N680 PolarHBondContact O-N 3.36Å; E676-N680 PolarHBondContact O-ND2 2.82Å; E677-N680 PolarHBondContact O-N 3.16Å; N680-L682 VanDerWaalsContact C-N 3.33Å; N680-L682 PolarHBondContact O-N 3.04Å; N680-S683 WeakPolarHBondContact O-CB 3.49Å; N680-S683 PolarHBondContact O-N 3.08Å; N680-D684 PolarHBondContact O-N 3.45Å |
| 681 | Q | 76.2 | Confident | 76.1 | Confident | 34 Ų | 34 | 43 Ų | 43 | 16% | 0.159 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.1 | -46.4 | 170.2 | -76 | -174.9 | -27.5 | 0 | 0 | 111.4 | E677 L678 Y679 S683 D684 L687 I688 A704 | E677-Q681 PolarHBondContact O-N 2.91Å; L678-Q681 PolarHBondContact O-N 2.92Å; Y679-Q681 VanDerWaalsContact C-N 3.3Å; Y679-Q681 PolarHBondContact O-N 2.76Å; Q681-S683 PolarHBondContact O-N 2.75Å; Q681-D684 PolarHBondContact O-N 3.06Å; Q681-D684 VanDerWaalsContact O-O 3.08Å; Q681-L687 HydrophobicContact CB-CB 4.3Å; Q681-L687 HydrophobicContact CG-CB 4.27Å; Q681-L687 HydrophobicContact CG-CD1 4.34Å; Q681-I688 WeakPolarHBondContact O-CG1 3.48Å; Q681-A704 HydrophobicContact CB-CB 4.38Å |
| 682 | L | 72.4 | Confident | 75.3 | Confident | 19 Ų | 19 | 41.5 Ų | 41.5 | 10% | 0.099 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -5.8 | 176.3 | -69 | 174.7 | 0 | 0 | 0 | 114.8 | L678 Y679 N680 I688 A704 L708 I785 | L678-L682 WeakPolarHBondContact O-CG 3.48Å; L678-L682 PolarHBondContact O-N 3.44Å; Y679-L682 CarbonylContact O-C 3.59Å; Y679-L682 WeakPolarHBondContact O-CA 3.27Å; Y679-L682 PolarHBondContact O-N 3.31Å; Y679-L682 VanDerWaalsContact O-N 3.12Å; N680-L682 VanDerWaalsContact C-N 3.33Å; N680-L682 PolarHBondContact O-N 3.04Å; L682-I688 HydrophobicContact CD2-CG1 4.49Å; L682-A704 HydrophobicContact CD1-CB 4.35Å; L682-A704 HydrophobicContact CD2-CB 3.94Å; L682-A704 HydrophobicContact CG-CB 3.84Å; L682-L708 HydrophobicContact CD1-CD1 3.45Å; L682-L708 VanDerWaalsContact CD1-CD1 3.45Å; L682-I785 HydrophobicContact CB-CD1 4.36Å; L682-I785 HydrophobicContact CD1-CD1 4.04Å |
| 683 | S | 66.6 | Low | 74.7 | Confident | 31 Ų | 31 | 38.5 Ų | 38.5 | 22% | 0.217 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -29.3 | 178.8 | -54.8 | 0 | 0 | 0 | 0 | 112.3 | Y679 N680 Q681 L786 | Y679-S683 WeakPolarHBondContact O-CB 3.35Å; Y679-S683 PolarHBondContact O-N 3.41Å; Y679-S683 PolarHBondContact O-OG 3.19Å; N680-S683 WeakPolarHBondContact O-CB 3.49Å; N680-S683 PolarHBondContact O-N 3.08Å; Q681-S683 PolarHBondContact O-N 2.75Å; S683-L786 VanDerWaalsContact CA-CD1 3.45Å; S683-L786 WeakPolarHBondContact OG-CD1 3.49Å |
| 684 | D | 65.8 | Low | 74.4 | Confident | 53 Ų | 53 | 37.1 Ų | 37.1 | 28% | 0.283 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -102.2 | 118.8 | -178.1 | -171.2 | -36.6 | 0 | 0 | 0 | 110 | N680 Q681 N686 L687 I688 | N680-D684 PolarHBondContact O-N 3.45Å; Q681-D684 PolarHBondContact O-N 3.06Å; Q681-D684 VanDerWaalsContact O-O 3.08Å; D684-N686 VanDerWaalsContact C-N 3.26Å; D684-N686 PolarHBondContact O-N 2.78Å; D684-N686 WeakPolarHBondContact OD1-CB 3.38Å; D684-N686 PolarHBondContact OD1-N 2.9Å; D684-N686 PolarHBondContact OD1-ND2 2.96Å; D684-L687 HydrophobicContact CB-CB 4Å; D684-L687 HydrophobicContact CB-CD1 3.74Å; D684-L687 HydrophobicContact CB-CG 3.75Å; D684-L687 PolarHBondContact O-N 2.81Å; D684-L687 VanDerWaalsContact O-N 3.15Å; D684-I688 WeakPolarHBondContact O-CG1 3.49Å; D684-I688 PolarHBondContact O-N 3.31Å |
| 685 | P | 63.7 | Low | 73.8 | Confident | 26 Ų | 26 | 38.3 Ų | 38.3 | 17% | 0.169 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.4 | -37 | -178.5 | -22.2 | 33.8 | 0 | 0 | 0 | 114.5 | I688 A689 F791 Q793 F968 | P685-I688 WeakPolarHBondContact O-CB 3.37Å; P685-I688 PolarHBondContact O-N 2.8Å; P685-A689 PolarHBondContact O-N 3.01Å; P685-F791 HydrophobicContact CB-CD2 4.33Å; P685-F791 HydrophobicContact CB-CE1 4.24Å; P685-F791 HydrophobicContact CB-CE2 3.24Å; P685-F791 HydrophobicContact CB-CZ 3.25Å; P685-F791 HydrophobicContact CG-CE1 3.54Å; P685-F791 HydrophobicContact CG-CE2 3.52Å; P685-F791 HydrophobicContact CG-CZ 2.98Å; P685-Q793 PolarHBondContact O-OE1 3.28Å; P685-F968 HydrophobicContact CB-CE1 4.48Å; P685-F968 HydrophobicContact CB-CE2 4.32Å; P685-F968 HydrophobicContact CB-CZ 3.99Å |
| 686 | N | 65.7 | Low | 73.1 | Confident | 29 Ų | 29 | 37 Ų | 37 | 16% | 0.155 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69 | -38.8 | -179.7 | -61.6 | -59.6 | 0 | 0 | 0 | 111 | D684 I688 A689 E690 Q793 E834 N859 | D684-N686 VanDerWaalsContact C-N 3.26Å; D684-N686 PolarHBondContact O-N 2.78Å; D684-N686 WeakPolarHBondContact OD1-CB 3.38Å; D684-N686 PolarHBondContact OD1-N 2.9Å; D684-N686 PolarHBondContact OD1-ND2 2.96Å; N686-I688 VanDerWaalsContact C-N 3.29Å; N686-I688 PolarHBondContact O-N 2.87Å; N686-A689 WeakPolarHBondContact O-CB 3.39Å; N686-A689 PolarHBondContact O-N 2.81Å; N686-E690 WeakPolarHBondContact O-CB 3.45Å; N686-E690 WeakPolarHBondContact O-CG 3.35Å; N686-E690 PolarHBondContact O-N 3.01Å; N686-Q793 PolarHBondContact OD1-NE2 2.9Å; N686-Q793 VanDerWaalsContact OD1-NE2 3.16Å; N686-E834 VanDerWaalsContact ND2-CD 3.27Å; N686-E834 PolarHBondContact ND2-OE2 3.22Å; N686-N859 PolarHBondContact OD1-ND2 3.34Å |
| 687 | L | 72.5 | Confident | 72.4 | Confident | 57 Ų | 57 | 35 Ų | 35 | 30% | 0.298 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66.1 | -34.8 | 175.3 | -63.2 | -178.5 | 0 | 0 | 0 | 111.5 | Q681 D684 E690 N691 | Q681-L687 HydrophobicContact CB-CB 4.3Å; Q681-L687 HydrophobicContact CG-CB 4.27Å; Q681-L687 HydrophobicContact CG-CD1 4.34Å; D684-L687 HydrophobicContact CB-CB 4Å; D684-L687 HydrophobicContact CB-CD1 3.74Å; D684-L687 HydrophobicContact CB-CG 3.75Å; D684-L687 PolarHBondContact O-N 2.81Å; D684-L687 VanDerWaalsContact O-N 3.15Å; L687-E690 PolarHBondContact O-N 3.47Å; L687-N691 WeakPolarHBondContact O-CB 2.96Å; L687-N691 PolarHBondContact O-N 2.85Å |
| 688 | I | 70.8 | Confident | 71.9 | Confident | 14 Ų | 14 | 35.2 Ų | 35.2 | 7% | 0.072 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.5 | -49.2 | 172.4 | -65.3 | 170.1 | 0 | 0 | 0 | 110.2 | Q681 L682 D684 P685 N686 E690 N691 I692 V782 F968 | Q681-I688 WeakPolarHBondContact O-CG1 3.48Å; L682-I688 HydrophobicContact CD2-CG1 4.49Å; D684-I688 WeakPolarHBondContact O-CG1 3.49Å; D684-I688 PolarHBondContact O-N 3.31Å; P685-I688 WeakPolarHBondContact O-CB 3.37Å; P685-I688 PolarHBondContact O-N 2.8Å; N686-I688 VanDerWaalsContact C-N 3.29Å; N686-I688 PolarHBondContact O-N 2.87Å; I688-E690 VanDerWaalsContact C-N 3.33Å; I688-E690 PolarHBondContact O-N 2.85Å; I688-N691 PolarHBondContact O-N 3.2Å; I688-I692 HydrophobicContact CG2-CD1 3.63Å; I688-I692 HydrophobicContact CG2-CG1 4.33Å; I688-I692 VanDerWaalsContact O-CG1 3.28Å; I688-I692 WeakPolarHBondContact O-CG1 3.48Å; I688-I692 PolarHBondContact O-N 2.72Å; I688-V782 HydrophobicContact CD1-CG1 4.37Å; I688-V782 HydrophobicContact CG2-CG1 4.28Å; I688-V782 HydrophobicContact CG2-CG2 3.99Å; I688-F968 HydrophobicContact CB-CE1 4.3Å; I688-F968 HydrophobicContact CB-CZ 4.24Å; I688-F968 HydrophobicContact CD1-CE1 3.58Å; I688-F968 HydrophobicContact CD1-CZ 4.31Å; I688-F968 HydrophobicContact CG2-CE1 4.08Å; I688-F968 HydrophobicContact CG2-CZ 4.08Å |
| 689 | A | 67.8 | Low | 71.1 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.8 | -43 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | P685 N686 I692 N693 Q793 I795 | P685-A689 PolarHBondContact O-N 3.01Å; N686-A689 WeakPolarHBondContact O-CB 3.39Å; N686-A689 PolarHBondContact O-N 2.81Å; A689-I692 PolarHBondContact O-N 2.81Å; A689-N693 WeakPolarHBondContact O-CB 3.2Å; A689-N693 PolarHBondContact O-N 3.44Å; A689-Q793 HydrophobicContact CB-CG 4.2Å; A689-I795 HydrophobicContact CB-CD1 3.65Å |
| 690 | E | 71.4 | Confident | 71 | Confident | 94 Ų | 94 | 34.9 Ų | 34.9 | 44% | 0.439 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.3 | -39.2 | 175.7 | -76.5 | -175.1 | 165.8 | 0 | 0 | 112.2 | N686 L687 I688 N693 S694 | N686-E690 WeakPolarHBondContact O-CB 3.45Å; N686-E690 WeakPolarHBondContact O-CG 3.35Å; N686-E690 PolarHBondContact O-N 3.01Å; L687-E690 PolarHBondContact O-N 3.47Å; I688-E690 VanDerWaalsContact C-N 3.33Å; I688-E690 PolarHBondContact O-N 2.85Å; E690-N693 WeakPolarHBondContact O-CB 3.25Å; E690-N693 PolarHBondContact O-N 3.47Å; E690-S694 WeakPolarHBondContact O-CB 3.49Å; E690-S694 PolarHBondContact O-N 3.27Å; E690-S694 PolarHBondContact O-OG 3.2Å |
| 691 | N | 78.1 | Confident | 71.2 | Confident | 11 Ų | 11 | 31.9 Ų | 31.9 | 6% | 0.059 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.9 | -44.6 | 175.6 | 175.8 | -126.7 | 0 | 0 | 0 | 111.7 | L687 I688 N693 S694 C695 Y702 T703 A704 | L687-N691 WeakPolarHBondContact O-CB 2.96Å; L687-N691 PolarHBondContact O-N 2.85Å; I688-N691 PolarHBondContact O-N 3.2Å; N691-N693 VanDerWaalsContact C-N 3.32Å; N691-N693 PolarHBondContact O-N 3.27Å; N691-S694 PolarHBondContact O-N 2.92Å; N691-C695 PolarHBondContact O-N 2.76Å; N691-C695 PolarHBondContact O-SG 3.43Å; N691-Y702 PolarHBondContact ND2-O 2.86Å; N691-T703 WeakPolarHBondContact OD1-CA 3.46Å; N691-A704 PolarHBondContact OD1-N 3.46Å |
| 692 | I | 72.3 | Confident | 71.6 | Confident | 11 Ų | 11 | 32.2 Ų | 32.2 | 6% | 0.056 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.1 | -46.2 | 174.2 | -67.5 | 161.2 | 0 | 0 | 0 | 110.1 | I688 A689 S694 C695 L696 Y780 V782 V966 | I688-I692 HydrophobicContact CG2-CD1 3.63Å; I688-I692 HydrophobicContact CG2-CG1 4.33Å; I688-I692 VanDerWaalsContact O-CG1 3.28Å; I688-I692 WeakPolarHBondContact O-CG1 3.48Å; I688-I692 PolarHBondContact O-N 2.72Å; A689-I692 PolarHBondContact O-N 2.81Å; I692-S694 VanDerWaalsContact C-N 3.3Å; I692-S694 PolarHBondContact O-N 2.86Å; I692-C695 WeakPolarHBondContact O-CB 3.37Å; I692-C695 PolarHBondContact O-N 2.7Å; I692-C695 VanDerWaalsContact O-N 3.13Å; I692-L696 HydrophobicContact CG2-CD1 3.91Å; I692-L696 HydrophobicContact CG2-CG 4.43Å; I692-L696 WeakPolarHBondContact O-CG 3.46Å; I692-L696 PolarHBondContact O-N 2.81Å; I692-Y780 HydrophobicContact CD1-CD1 3.3Å; I692-Y780 HydrophobicContact CD1-CE1 3.51Å; I692-Y780 HydrophobicContact CD1-CG 4.25Å; I692-Y780 HydrophobicContact CG1-CD1 3.99Å; I692-Y780 HydrophobicContact CG1-CE1 3.84Å; I692-V782 HydrophobicContact CD1-CG2 4.2Å; I692-V966 HydrophobicContact CD1-CG1 3.89Å; I692-V966 HydrophobicContact CD1-CG2 4.02Å |
| 693 | N | 71.2 | Confident | 72.1 | Confident | 20 Ų | 20 | 33 Ų | 33 | 11% | 0.107 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.7 | -48.3 | 175.9 | -177.2 | 50.7 | 0 | 0 | 0 | 110.6 | A689 E690 N691 C695 L696 W697 F797 | A689-N693 WeakPolarHBondContact O-CB 3.2Å; A689-N693 PolarHBondContact O-N 3.44Å; E690-N693 WeakPolarHBondContact O-CB 3.25Å; E690-N693 PolarHBondContact O-N 3.47Å; N691-N693 VanDerWaalsContact C-N 3.32Å; N691-N693 PolarHBondContact O-N 3.27Å; N693-C695 VanDerWaalsContact C-N 3.35Å; N693-C695 PolarHBondContact O-N 3.46Å; N693-L696 PolarHBondContact O-N 3.24Å; N693-L696 VanDerWaalsContact O-N 3.15Å; N693-W697 PolarHBondContact O-N 3.21Å; N693-W697 PolarHBondContact OD1-NE1 2.88Å; N693-F797 WeakPolarHBondContact OD1-CE1 3.48Å; N693-F797 WeakPolarHBondContact OD1-CZ 3.49Å |
| 694 | S | 74.9 | Confident | 72.9 | Confident | 30 Ų | 30 | 31.6 Ų | 31.6 | 21% | 0.21 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61 | -41.6 | 176.4 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | E690 N691 I692 L696 W697 Y698 E701 | E690-S694 WeakPolarHBondContact O-CB 3.49Å; E690-S694 PolarHBondContact O-N 3.27Å; E690-S694 PolarHBondContact O-OG 3.2Å; N691-S694 PolarHBondContact O-N 2.92Å; I692-S694 VanDerWaalsContact C-N 3.3Å; I692-S694 PolarHBondContact O-N 2.86Å; S694-L696 PolarHBondContact O-N 3.34Å; S694-W697 PolarHBondContact O-N 2.93Å; S694-Y698 WeakPolarHBondContact O-CB 3.35Å; S694-Y698 VanDerWaalsContact O-CD2 3.31Å; S694-Y698 WeakPolarHBondContact O-CD2 3.46Å; S694-Y698 PolarHBondContact O-N 3.36Å; S694-E701 WeakPolarHBondContact CB-OE2 3.33Å |
| 695 | C | 75.9 | Confident | 73.6 | Confident | 26 Ų | 26 | 31.4 Ų | 31.4 | 18% | 0.176 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.6 | -29.6 | 176.2 | -63.6 | 0 | 0 | 0 | 0 | 113.3 | N691 I692 N693 T703 | N691-C695 PolarHBondContact O-N 2.76Å; N691-C695 PolarHBondContact O-SG 3.43Å; I692-C695 WeakPolarHBondContact O-CB 3.37Å; I692-C695 PolarHBondContact O-N 2.7Å; I692-C695 VanDerWaalsContact O-N 3.13Å; N693-C695 VanDerWaalsContact C-N 3.35Å; N693-C695 PolarHBondContact O-N 3.46Å; C695-T703 PolarHBondContact SG-N 2.64Å; C695-T703 VanDerWaalsContact SG-N 3.43Å |
| 696 | L | 69.3 | Low | 74.6 | Confident | 28 Ų | 28 | 31.8 Ų | 31.8 | 15% | 0.147 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -78.9 | -32.2 | -179.2 | -75 | 168.9 | 0 | 0 | 0 | 112.7 | I692 N693 S694 L773 I964 | I692-L696 HydrophobicContact CG2-CD1 3.91Å; I692-L696 HydrophobicContact CG2-CG 4.43Å; I692-L696 WeakPolarHBondContact O-CG 3.46Å; I692-L696 PolarHBondContact O-N 2.81Å; N693-L696 PolarHBondContact O-N 3.24Å; N693-L696 VanDerWaalsContact O-N 3.15Å; S694-L696 PolarHBondContact O-N 3.34Å; L696-L773 HydrophobicContact CB-CD1 3.74Å; L696-L773 HydrophobicContact CD2-CD1 3.75Å; L696-L773 HydrophobicContact CD2-CD2 4.29Å; L696-L773 HydrophobicContact CG-CD1 4.21Å; L696-I964 HydrophobicContact CD1-CD1 3.19Å; L696-I964 HydrophobicContact CD1-CG1 4.06Å |
| 697 | W | 67.4 | Low | 75.6 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -93.1 | -45.1 | -179.7 | -59.6 | 114.6 | 0 | 0 | 0 | 112.1 | N693 S694 Y770 F797 L843 I962 | N693-W697 PolarHBondContact O-N 3.21Å; N693-W697 PolarHBondContact OD1-NE1 2.88Å; S694-W697 PolarHBondContact O-N 2.93Å; W697-Y770 WeakPolarHBondContact O-CD1 3.43Å; W697-F797 HydrophobicContact CZ2-CB 4.36Å; W697-F797 AromaticContact CZ2-CD1 3.86Å; W697-F797 HydrophobicContact CZ2-CD1 3.86Å; W697-F797 HydrophobicContact CZ2-CD2 4.31Å; W697-F797 HydrophobicContact CZ2-CE1 4.25Å; W697-F797 AromaticContact CZ2-CG 3.91Å; W697-F797 HydrophobicContact CZ2-CG 3.91Å; W697-F797 AromaticContact NE1-CE1 3.87Å; W697-L843 HydrophobicContact CB-CD1 3.99Å; W697-L843 HydrophobicContact CB-CD2 4.16Å; W697-L843 HydrophobicContact CD2-CD1 3.51Å; W697-L843 HydrophobicContact CE3-CD1 3.62Å; W697-L843 HydrophobicContact CG-CD1 3.65Å; W697-L843 HydrophobicContact CG-CD2 4.41Å; W697-L843 HydrophobicContact CZ3-CD1 4.32Å; W697-I962 HydrophobicContact CH2-CD1 3.9Å |
| 698 | Y | 70.9 | Confident | 76.2 | Confident | 67 Ų | 67 | 28.7 Ų | 28.7 | 26% | 0.263 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -96.7 | 117.5 | -173.3 | -58.3 | -83.6 | 0 | 0 | 0 | 110.8 | S694 Y700 E701 Y770 L843 | S694-Y698 WeakPolarHBondContact O-CB 3.35Å; S694-Y698 VanDerWaalsContact O-CD2 3.31Å; S694-Y698 WeakPolarHBondContact O-CD2 3.46Å; S694-Y698 PolarHBondContact O-N 3.36Å; Y698-Y700 PolarHBondContact O-N 2.99Å; Y698-E701 HydrophobicContact CD2-CG 4.45Å; Y698-E701 HydrophobicContact CG-CG 4.45Å; Y698-E701 PolarHBondContact O-N 2.93Å; Y698-E701 VanDerWaalsContact O-N 3.08Å; Y698-Y770 HydrophobicContact CD1-CD1 4.41Å; Y698-Y770 AromaticContact CD1-CE1 3.68Å; Y698-Y770 HydrophobicContact CD1-CE1 3.68Å; Y698-Y770 AromaticContact CE1-CE1 3.65Å; Y698-Y770 HydrophobicContact CE1-CE1 3.65Å; Y698-L843 HydrophobicContact CE1-CD2 4.36Å; Y698-L843 HydrophobicContact CE2-CD2 4.08Å; Y698-L843 VanDerWaalsContact OH-CD2 3.31Å; Y698-L843 WeakPolarHBondContact OH-CD2 3.31Å |
| 699 | P | 67.6 | Low | 77 | Confident | 41 Ų | 41 | 32.3 Ų | 32.3 | 27% | 0.266 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -11.1 | -170.3 | 23 | -31.9 | 0 | 0 | 0 | 115.5 | I768 I771 | P699-I768 HydrophobicContact CB-CG2 4.41Å; P699-I768 HydrophobicContact CG-CG2 3.04Å; P699-I771 HydrophobicContact CB-CD1 4.33Å; P699-I771 HydrophobicContact CB-CG1 4.19Å |
| 700 | Y | 75.4 | Confident | 77.9 | Confident | 60 Ų | 60 | 33.2 Ų | 33.2 | 24% | 0.235 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 14.6 | 176.4 | -52.2 | -38.6 | 0 | 0 | 0 | 113.2 | L593 N594 Y698 Y702 I768 | L593-Y700 HydrophobicContact CB-CD2 4.39Å; L593-Y700 HydrophobicContact CB-CG 4.32Å; N594-Y700 HydrophobicContact CB-CD1 4.24Å; N594-Y700 HydrophobicContact CB-CE1 3.81Å; Y698-Y700 PolarHBondContact O-N 2.99Å; Y700-Y702 WeakPolarHBondContact O-CD2 3.49Å; Y700-Y702 VanDerWaalsContact O-CE2 3.31Å; Y700-Y702 WeakPolarHBondContact O-CE2 3.31Å; Y700-I768 HydrophobicContact CD2-CD1 4Å; Y700-I768 HydrophobicContact CE2-CD1 3.44Å; Y700-I768 VanDerWaalsContact CE2-CD1 3.44Å; Y700-I768 HydrophobicContact CE2-CG1 3.96Å; Y700-I768 HydrophobicContact CE2-CG2 4.5Å |
| 701 | E | 78.9 | Confident | 78.6 | Confident | 13 Ų | 13 | 28.8 Ų | 28.8 | 6% | 0.061 | 16% | 0.157 | C | C | . | . | trans | -84.6 | 142.3 | 164.9 | -89.9 | -91.4 | 128.7 | 0 | 0 | 109.6 | R603 V633 S694 Y698 | R603-E701 IonicContact CZ-OE1 3.1Å; R603-E701 IonicContact NH1-OE1 3.5Å; R603-E701 PolarHBondContact NH1-OE1 2.79Å; R603-E701 IonicContact NH2-OE1 3.7Å; R603-E701 PolarHBondContact NH2-OE1 3.3Å; R603-E701 VanDerWaalsContact NH2-OE1 3.1Å; V633-E701 HydrophobicContact CG1-CG 4.21Å; V633-E701 HydrophobicContact CG2-CG 4.1Å; S694-E701 WeakPolarHBondContact CB-OE2 3.33Å; Y698-E701 HydrophobicContact CD2-CG 4.45Å; Y698-E701 HydrophobicContact CG-CG 4.45Å; Y698-E701 PolarHBondContact O-N 2.93Å; Y698-E701 VanDerWaalsContact O-N 3.08Å | ||
| 702 | Y | 84.6 | Confident | 78.8 | Confident | 40 Ų | 40 | 34.7 Ų | 34.7 | 16% | 0.157 | 18% | 0.183 | C | C | . | . | trans | -131.8 | 154.2 | -177.5 | -63.5 | -79.5 | 0 | 0 | 0 | 110.2 | L593 N594 C595 P596 A599 N691 Y700 | L593-Y702 PolarHBondContact O-OH 3.42Å; N594-Y702 PolarHBondContact O-OH 2.94Å; N594-Y702 VanDerWaalsContact O-OH 3.09Å; C595-Y702 VanDerWaalsContact C-CE2 3.5Å; C595-Y702 VanDerWaalsContact C-CZ 3.47Å; C595-Y702 WeakPolarHBondContact CA-OH 3.47Å; C595-Y702 PolarHBondContact N-OH 2.7Å; P596-Y702 HydrophobicContact CB-CD1 4.21Å; P596-Y702 HydrophobicContact CB-CD2 4.5Å; P596-Y702 HydrophobicContact CB-CG 4.17Å; P596-Y702 HydrophobicContact CG-CD1 3.61Å; P596-Y702 HydrophobicContact CG-CE1 3.74Å; P596-Y702 HydrophobicContact CG-CG 4.08Å; A599-Y702 HydrophobicContact CB-CD2 3.5Å; A599-Y702 VanDerWaalsContact CB-CD2 3.5Å; A599-Y702 HydrophobicContact CB-CE2 3.67Å; N691-Y702 PolarHBondContact ND2-O 2.86Å; Y700-Y702 WeakPolarHBondContact O-CD2 3.49Å; Y700-Y702 VanDerWaalsContact O-CE2 3.31Å; Y700-Y702 WeakPolarHBondContact O-CE2 3.31Å | ||
| 703 | T | 83.2 | Confident | 79.3 | Confident | 37 Ų | 37 | 43.1 Ų | 43.1 | 23% | 0.227 | 22% | 0.215 | C | C | . | . | trans | -63.9 | 146.6 | 179.7 | 61.8 | 0 | 0 | 0 | 0 | 111 | N691 C695 S705 S706 L707 | N691-T703 WeakPolarHBondContact OD1-CA 3.46Å; C695-T703 PolarHBondContact SG-N 2.64Å; C695-T703 VanDerWaalsContact SG-N 3.43Å; T703-S705 PolarHBondContact O-N 2.98Å; T703-S705 VanDerWaalsContact O-N 3.16Å; T703-S706 WeakPolarHBondContact O-CB 3.34Å; T703-S706 PolarHBondContact O-N 3.03Å; T703-S706 WeakPolarHBondContact OG1-CB 3.31Å; T703-S706 PolarHBondContact OG1-N 3.17Å; T703-L707 PolarHBondContact O-N 3.02Å; T703-L707 VanDerWaalsContact O-N 3.07Å | ||
| 704 | A | 83 | Confident | 80.2 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -53.9 | -37 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L678 Q681 L682 N691 L707 L708 | L678-A704 HydrophobicContact CD2-CB 4.07Å; Q681-A704 HydrophobicContact CB-CB 4.38Å; L682-A704 HydrophobicContact CD1-CB 4.35Å; L682-A704 HydrophobicContact CD2-CB 3.94Å; L682-A704 HydrophobicContact CG-CB 3.84Å; N691-A704 PolarHBondContact OD1-N 3.46Å; A704-L707 PolarHBondContact O-N 3.05Å; A704-L708 WeakPolarHBondContact O-CB 2.95Å; A704-L708 PolarHBondContact O-N 2.89Å |
| 705 | S | 80.2 | Confident | 81 | Confident | 49 Ų | 49 | 44.5 Ų | 44.5 | 34% | 0.343 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.6 | -42.5 | 174.2 | -54.8 | 0 | 0 | 0 | 0 | 113.2 | T703 L708 N709 | T703-S705 PolarHBondContact O-N 2.98Å; T703-S705 VanDerWaalsContact O-N 3.16Å; S705-L708 PolarHBondContact O-N 2.89Å; S705-N709 PolarHBondContact O-N 2.95Å |
| 706 | S | 84.9 | Confident | 81.7 | Confident | 33 Ų | 33 | 45.3 Ų | 45.3 | 23% | 0.231 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.2 | -40.7 | 177.4 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | P596 T703 N709 S710 | P596-S706 VanDerWaalsContact CB-OG 3.29Å; P596-S706 WeakPolarHBondContact CB-OG 2.89Å; P596-S706 VanDerWaalsContact CG-OG 3.28Å; P596-S706 WeakPolarHBondContact CG-OG 3.28Å; T703-S706 WeakPolarHBondContact O-CB 3.34Å; T703-S706 PolarHBondContact O-N 3.03Å; T703-S706 WeakPolarHBondContact OG1-CB 3.31Å; T703-S706 PolarHBondContact OG1-N 3.17Å; S706-N709 PolarHBondContact O-N 2.79Å; S706-S710 PolarHBondContact O-N 3.21Å; S706-S710 VanDerWaalsContact O-N 3.11Å; S706-S710 PolarHBondContact O-OG 3.36Å |
| 707 | L | 88.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.6 | -43.9 | 175.7 | -62.2 | 177.5 | 0 | 0 | 0 | 111.8 | A599 C600 L678 T703 A704 N709 S710 L711 | A599-L707 HydrophobicContact CB-CD2 4.39Å; C600-L707 HydrophobicContact CB-CD2 3.73Å; C600-L707 PolarHBondContact SG-O 3.28Å; C600-L707 VanDerWaalsContact SG-O 3.38Å; L678-L707 HydrophobicContact CD1-CB 3.84Å; L678-L707 HydrophobicContact CD2-CB 4.14Å; L678-L707 HydrophobicContact CD2-CD1 3.87Å; T703-L707 PolarHBondContact O-N 3.02Å; T703-L707 VanDerWaalsContact O-N 3.07Å; A704-L707 PolarHBondContact O-N 3.05Å; L707-N709 PolarHBondContact O-N 2.98Å; L707-S710 WeakPolarHBondContact O-CB 3.4Å; L707-S710 PolarHBondContact O-N 2.89Å; L707-L711 PolarHBondContact O-N 2.72Å |
| 708 | L | 85.1 | Confident | 83.9 | Confident | 21 Ų | 21 | 49.7 Ų | 49.7 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.1 | -42.2 | 176.1 | -86 | 165.7 | 0 | 0 | 0 | 112.5 | I675 L678 Y679 L682 A704 S705 S710 L711 | I675-L708 HydrophobicContact CG1-CD2 4.36Å; I675-L708 HydrophobicContact CG2-CD2 4.34Å; L678-L708 HydrophobicContact CB-CD1 3.99Å; L678-L708 HydrophobicContact CB-CD2 4.04Å; L678-L708 HydrophobicContact CB-CG 3.74Å; L678-L708 HydrophobicContact CD1-CD2 4.15Å; L678-L708 HydrophobicContact CD1-CG 3.89Å; L678-L708 HydrophobicContact CG-CG 4.46Å; Y679-L708 HydrophobicContact CD1-CD1 4.41Å; Y679-L708 HydrophobicContact CD2-CD2 4.35Å; Y679-L708 HydrophobicContact CE1-CD1 4.33Å; Y679-L708 HydrophobicContact CE2-CD2 4.12Å; L682-L708 HydrophobicContact CD1-CD1 3.45Å; L682-L708 VanDerWaalsContact CD1-CD1 3.45Å; A704-L708 WeakPolarHBondContact O-CB 2.95Å; A704-L708 PolarHBondContact O-N 2.89Å; S705-L708 PolarHBondContact O-N 2.89Å; L708-S710 VanDerWaalsContact C-N 3.33Å; L708-L711 PolarHBondContact O-N 2.61Å |
| 709 | N | 85.6 | Confident | 84.9 | Confident | 91 Ų | 91 | 46.5 Ų | 46.5 | 49% | 0.487 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 176.2 | -86.3 | -21.5 | 0 | 0 | 0 | 112 | S705 S706 L707 K712 Y713 | S705-N709 PolarHBondContact O-N 2.95Å; S706-N709 PolarHBondContact O-N 2.79Å; L707-N709 PolarHBondContact O-N 2.98Å; N709-K712 PolarHBondContact OD1-NZ 2.98Å; N709-Y713 WeakPolarHBondContact O-CE2 3.21Å |
| 710 | S | 87.7 | Confident | 86 | Confident | 20 Ų | 20 | 47.4 Ų | 47.4 | 14% | 0.14 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.2 | -40.6 | 176.6 | -57.8 | 0 | 0 | 0 | 0 | 112 | S706 L707 L708 K712 Y713 | S706-S710 PolarHBondContact O-N 3.21Å; S706-S710 VanDerWaalsContact O-N 3.11Å; S706-S710 PolarHBondContact O-OG 3.36Å; L707-S710 WeakPolarHBondContact O-CB 3.4Å; L707-S710 PolarHBondContact O-N 2.89Å; L708-S710 VanDerWaalsContact C-N 3.33Å; S710-K712 PolarHBondContact O-N 2.77Å; S710-K712 VanDerWaalsContact O-N 3.14Å; S710-Y713 PolarHBondContact O-N 2.91Å |
| 711 | L | 86.6 | Confident | 86.7 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.5 | -25 | -174 | -155.6 | 84.3 | 0 | 0 | 0 | 113.7 | C600 K671 L674 I675 L707 L708 Y713 F714 | C600-L711 WeakPolarHBondContact SG-CD1 3.43Å; K671-L711 WeakPolarHBondContact CE-O 3.47Å; K671-L711 HydrophobicContact CG-CD2 3.78Å; K671-L711 HydrophobicContact CG-CG 4.09Å; K671-L711 PolarHBondContact NZ-O 2.71Å; L674-L711 HydrophobicContact CD2-CD1 3.55Å; L674-L711 HydrophobicContact CG-CD1 4.25Å; I675-L711 HydrophobicContact CD1-CD2 3.87Å; I675-L711 HydrophobicContact CG1-CD2 3.26Å; L707-L711 PolarHBondContact O-N 2.72Å; L708-L711 PolarHBondContact O-N 2.61Å; L711-Y713 PolarHBondContact O-N 2.88Å; L711-F714 HydrophobicContact CD1-CD2 3.9Å; L711-F714 HydrophobicContact CD1-CE2 4.18Å; L711-F714 HydrophobicContact CG-CD2 4.44Å; L711-F714 PolarHBondContact O-N 2.8Å |
| 712 | K | 81.9 | Confident | 87.3 | Confident | 135 Ų | 135 | 47 Ų | 47 | 59% | 0.587 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -37.8 | -179.6 | -70.7 | 171.5 | -179.2 | 166.2 | 0 | 112 | K671 N709 S710 | K671-K712 PolarHBondContact NZ-O 2.82Å; N709-K712 PolarHBondContact OD1-NZ 2.98Å; S710-K712 PolarHBondContact O-N 2.77Å; S710-K712 VanDerWaalsContact O-N 3.14Å |
| 713 | Y | 82.6 | Confident | 87.7 | Confident | 188 Ų | 188 | 45.6 Ų | 45.6 | 74% | 0.737 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -10.1 | -169.4 | -53.7 | -74.8 | 0 | 0 | 0 | 114.7 | N709 S710 L711 | N709-Y713 WeakPolarHBondContact O-CE2 3.21Å; S710-Y713 PolarHBondContact O-N 2.91Å; L711-Y713 PolarHBondContact O-N 2.88Å |
| 714 | F | 90.5 | Very high | 87.9 | Confident | 10 Ų | 10 | 49.1 Ų | 49.1 | 4% | 0.044 | 27% | 0.271 | C | S | . | . | trans | -73.1 | 138.4 | -174 | -62.5 | -25.8 | 0 | 0 | 0 | 114 | M597 C600 L601 L604 F667 K671 L711 | M597-F714 HydrophobicContact CB-CZ 4.44Å; M597-F714 HydrophobicContact CG-CE1 3.31Å; M597-F714 HydrophobicContact CG-CZ 3.56Å; M597-F714 WeakPolarHBondContact O-CZ 3.46Å; M597-F714 HydrophobicContact SD-CE1 4.13Å; C600-F714 HydrophobicContact CB-CE2 3.74Å; C600-F714 HydrophobicContact CB-CZ 4.08Å; L601-F714 HydrophobicContact CD1-CE1 4.24Å; L601-F714 HydrophobicContact CD1-CZ 4.36Å; L601-F714 HydrophobicContact CD2-CD1 4.15Å; L601-F714 HydrophobicContact CD2-CD2 3.91Å; L601-F714 HydrophobicContact CD2-CE1 4.25Å; L601-F714 HydrophobicContact CD2-CE2 4.01Å; L601-F714 HydrophobicContact CD2-CG 4.01Å; L601-F714 HydrophobicContact CD2-CZ 4.2Å; L601-F714 HydrophobicContact CG-CD1 4.4Å; L601-F714 HydrophobicContact CG-CD2 4.3Å; L601-F714 HydrophobicContact CG-CE1 4Å; L601-F714 HydrophobicContact CG-CE2 3.88Å; L601-F714 HydrophobicContact CG-CZ 3.73Å; L604-F714 HydrophobicContact CD2-CD2 4.4Å; F667-F714 HydrophobicContact CZ-CB 4.17Å; F667-F714 WeakPolarHBondContact CZ-O 3.37Å; K671-F714 PolarHBondContact NZ-O 3.1Å; K671-F714 VanDerWaalsContact NZ-O 3.15Å; L711-F714 HydrophobicContact CD1-CD2 3.9Å; L711-F714 HydrophobicContact CD1-CE2 4.18Å; L711-F714 HydrophobicContact CG-CD2 4.44Å; L711-F714 PolarHBondContact O-N 2.8Å | ||
| 715 | T | 90.7 | Very high | 88.2 | Confident | 69 Ų | 69 | 55.7 Ų | 55.7 | 42% | 0.423 | 30% | 0.299 | S | S | . | . | trans | -111.6 | 168.7 | 170 | 73.3 | 0 | 0 | 0 | 0 | 110.9 | F667 A717 D718 L719 | F667-T715 WeakPolarHBondContact CE2-O 3.45Å; T715-A717 VanDerWaalsContact C-N 3.27Å; T715-A717 PolarHBondContact O-N 2.83Å; T715-A717 PolarHBondContact OG1-N 3.4Å; T715-D718 WeakPolarHBondContact CA-OD2 3.5Å; T715-D718 WeakPolarHBondContact CB-OD2 3.45Å; T715-D718 PolarHBondContact N-OD2 3.48Å; T715-D718 PolarHBondContact O-N 2.88Å; T715-D718 VanDerWaalsContact OG1-CG 3.3Å; T715-D718 PolarHBondContact OG1-N 2.77Å; T715-D718 PolarHBondContact OG1-OD2 3.44Å; T715-L719 PolarHBondContact O-N 2.96Å | ||
| 716 | I | 91.1 | Very high | 88.7 | Confident | 43 Ų | 43 | 53.5 Ų | 53.5 | 22% | 0.221 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.6 | -33.2 | 174.4 | -171.5 | 163.3 | 0 | 0 | 0 | 112.9 | A662 T663 F667 D718 L719 M720 | A662-I716 HydrophobicContact CB-CD1 4.48Å; A662-I716 WeakPolarHBondContact O-CD1 3.44Å; T663-I716 VanDerWaalsContact O-CD1 3.28Å; T663-I716 WeakPolarHBondContact O-CD1 3.32Å; F667-I716 HydrophobicContact CB-CB 4.24Å; F667-I716 HydrophobicContact CB-CD1 4.02Å; F667-I716 HydrophobicContact CB-CG1 4.16Å; F667-I716 HydrophobicContact CD1-CB 4.32Å; F667-I716 HydrophobicContact CD2-CB 4.32Å; F667-I716 HydrophobicContact CG-CB 4.03Å; F667-I716 HydrophobicContact CG-CG1 4.38Å; I716-D718 VanDerWaalsContact C-N 3.29Å; I716-D718 PolarHBondContact O-N 2.81Å; I716-L719 PolarHBondContact O-N 2.83Å; I716-M720 HydrophobicContact CD1-CE 4.07Å; I716-M720 HydrophobicContact CG1-CE 4.01Å; I716-M720 HydrophobicContact CG1-CG 4.49Å; I716-M720 HydrophobicContact CG1-SD 4.38Å; I716-M720 WeakPolarHBondContact O-CG 3.44Å; I716-M720 PolarHBondContact O-N 2.95Å |
| 717 | A | 90.7 | Very high | 88.9 | Confident | 59 Ų | 59 | 52.6 Ų | 52.6 | 49% | 0.488 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.6 | -37.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | T715 L719 M720 A721 | T715-A717 VanDerWaalsContact C-N 3.27Å; T715-A717 PolarHBondContact O-N 2.83Å; T715-A717 PolarHBondContact OG1-N 3.4Å; A717-L719 VanDerWaalsContact C-N 3.35Å; A717-M720 PolarHBondContact O-N 2.89Å; A717-A721 VanDerWaalsContact O-CB 3.32Å; A717-A721 WeakPolarHBondContact O-CB 3.07Å; A717-A721 PolarHBondContact O-N 2.81Å |
| 718 | D | 92.6 | Very high | 89 | Confident | 65 Ų | 65 | 58.7 Ų | 58.7 | 35% | 0.348 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 175.6 | -56.5 | -53.1 | 0 | 0 | 0 | 111.1 | L601 T715 I716 F722 | L601-D718 HydrophobicContact CD2-CB 4.31Å; T715-D718 WeakPolarHBondContact CA-OD2 3.5Å; T715-D718 WeakPolarHBondContact CB-OD2 3.45Å; T715-D718 PolarHBondContact N-OD2 3.48Å; T715-D718 PolarHBondContact O-N 2.88Å; T715-D718 VanDerWaalsContact OG1-CG 3.3Å; T715-D718 PolarHBondContact OG1-N 2.77Å; T715-D718 PolarHBondContact OG1-OD2 3.44Å; I716-D718 VanDerWaalsContact C-N 3.29Å; I716-D718 PolarHBondContact O-N 2.81Å; D718-F722 WeakPolarHBondContact O-CB 3.39Å; D718-F722 PolarHBondContact O-N 2.72Å |
| 719 | L | 91.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 177.6 | -178.9 | 63.1 | 0 | 0 | 0 | 111.9 | L604 L605 A662 F667 T715 I716 A717 F722 Q723 | L604-L719 HydrophobicContact CB-CD1 4.46Å; L604-L719 HydrophobicContact CD2-CD1 4.35Å; L604-L719 HydrophobicContact CG-CD1 4.29Å; L605-L719 HydrophobicContact CB-CD1 3.96Å; L605-L719 HydrophobicContact CD1-CD1 4.39Å; A662-L719 HydrophobicContact CB-CD2 4.29Å; F667-L719 HydrophobicContact CD2-CB 4.32Å; F667-L719 HydrophobicContact CD2-CD2 3.87Å; F667-L719 HydrophobicContact CE2-CB 4.29Å; F667-L719 HydrophobicContact CE2-CD2 4.45Å; T715-L719 PolarHBondContact O-N 2.96Å; I716-L719 PolarHBondContact O-N 2.83Å; A717-L719 VanDerWaalsContact C-N 3.35Å; L719-F722 PolarHBondContact O-N 2.82Å; L719-Q723 WeakPolarHBondContact O-CB 3.3Å; L719-Q723 PolarHBondContact O-N 3.46Å |
| 720 | M | 89.8 | Confident | 89.5 | Confident | 59 Ų | 59 | 56.3 Ų | 56.3 | 29% | 0.291 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 178.8 | -71.2 | 177.7 | 167.7 | 0 | 0 | 111.9 | D661 A662 I716 A717 F722 Q723 T724 | D661-M720 HydrophobicContact CB-CE 3.97Å; A662-M720 WeakPolarHBondContact O-CE 3.31Å; I716-M720 HydrophobicContact CD1-CE 4.07Å; I716-M720 HydrophobicContact CG1-CE 4.01Å; I716-M720 HydrophobicContact CG1-CG 4.49Å; I716-M720 HydrophobicContact CG1-SD 4.38Å; I716-M720 WeakPolarHBondContact O-CG 3.44Å; I716-M720 PolarHBondContact O-N 2.95Å; A717-M720 PolarHBondContact O-N 2.89Å; M720-F722 VanDerWaalsContact C-N 3.27Å; M720-F722 PolarHBondContact O-N 3.03Å; M720-Q723 PolarHBondContact O-N 2.79Å; M720-T724 PolarHBondContact O-N 2.9Å; M720-T724 PolarHBondContact O-OG1 2.93Å |
| 721 | A | 91 | Very high | 89.6 | Confident | 54 Ų | 54 | 58.9 Ų | 58.9 | 45% | 0.446 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.8 | -36.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A717 K725 | A717-A721 VanDerWaalsContact O-CB 3.32Å; A717-A721 WeakPolarHBondContact O-CB 3.07Å; A717-A721 PolarHBondContact O-N 2.81Å; A721-K725 PolarHBondContact O-N 2.87Å |
| 722 | F | 92.3 | Very high | 89.8 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 5% | 0.048 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.9 | -44.7 | 175.2 | -173.5 | -94.3 | 0 | 0 | 0 | 111.9 | M591 L593 K598 L601 L605 D718 L719 M720 T724 K725 Y726 | M591-F722 HydrophobicContact CE-CD2 4.33Å; M591-F722 HydrophobicContact CE-CE2 4Å; M591-F722 HydrophobicContact SD-CD2 4.34Å; M591-F722 HydrophobicContact SD-CE2 3.8Å; M591-F722 HydrophobicContact SD-CZ 4.34Å; L593-F722 HydrophobicContact CD2-CZ 4.07Å; K598-F722 HydrophobicContact CB-CE2 4.23Å; K598-F722 HydrophobicContact CG-CE2 4.44Å; K598-F722 WeakPolarHBondContact O-CZ 3.23Å; L601-F722 HydrophobicContact CB-CB 4.42Å; L601-F722 HydrophobicContact CB-CD1 3.91Å; L601-F722 HydrophobicContact CB-CD2 3.83Å; L601-F722 HydrophobicContact CB-CE1 4.09Å; L601-F722 HydrophobicContact CB-CE2 4Å; L601-F722 HydrophobicContact CB-CG 3.78Å; L601-F722 HydrophobicContact CB-CZ 4.13Å; L601-F722 HydrophobicContact CD1-CB 4.24Å; L601-F722 HydrophobicContact CD1-CD2 3.88Å; L601-F722 HydrophobicContact CD1-CG 4.16Å; L601-F722 HydrophobicContact CG-CD2 4.49Å; L601-F722 HydrophobicContact CG-CG 4.49Å; L605-F722 HydrophobicContact CD2-CD1 4.16Å; L605-F722 HydrophobicContact CD2-CE1 4.26Å; D718-F722 WeakPolarHBondContact O-CB 3.39Å; D718-F722 PolarHBondContact O-N 2.72Å; L719-F722 PolarHBondContact O-N 2.82Å; M720-F722 VanDerWaalsContact C-N 3.27Å; M720-F722 PolarHBondContact O-N 3.03Å; F722-T724 PolarHBondContact O-N 2.98Å; F722-K725 PolarHBondContact O-N 2.84Å; F722-K725 VanDerWaalsContact O-N 3.16Å; F722-Y726 HydrophobicContact CD1-CD2 4.5Å; F722-Y726 AromaticContact CE1-CD2 3.55Å; F722-Y726 HydrophobicContact CE1-CD2 3.55Å; F722-Y726 HydrophobicContact CE1-CE2 4.33Å; F722-Y726 HydrophobicContact CE1-CG 4.18Å; F722-Y726 AromaticContact CZ-CD2 3.84Å; F722-Y726 HydrophobicContact CZ-CD2 3.84Å; F722-Y726 VanDerWaalsContact O-CB 3.3Å; F722-Y726 WeakPolarHBondContact O-CB 3.48Å; F722-Y726 PolarHBondContact O-N 3.46Å |
| 723 | Q | 91.4 | Very high | 90.3 | Very high | 11 Ų | 11 | 53.4 Ų | 53.4 | 5% | 0.051 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.6 | -47.1 | 178.8 | -179.1 | 172.9 | -40.5 | 0 | 0 | 112.3 | L605 T659 L719 M720 K725 Y726 F727 | L605-Q723 HydrophobicContact CD1-CB 3.92Å; L605-Q723 HydrophobicContact CD1-CG 3.84Å; L605-Q723 HydrophobicContact CD2-CB 4.37Å; L605-Q723 HydrophobicContact CD2-CG 4.48Å; T659-Q723 PolarHBondContact O-NE2 2.84Å; L719-Q723 WeakPolarHBondContact O-CB 3.3Å; L719-Q723 PolarHBondContact O-N 3.46Å; M720-Q723 PolarHBondContact O-N 2.79Å; Q723-K725 VanDerWaalsContact C-N 3.31Å; Q723-K725 PolarHBondContact O-N 2.73Å; Q723-Y726 PolarHBondContact O-N 3.45Å; Q723-F727 HydrophobicContact CG-CD2 3.9Å; Q723-F727 HydrophobicContact CG-CE2 3.75Å; Q723-F727 WeakPolarHBondContact O-CD2 3.33Å; Q723-F727 PolarHBondContact O-N 2.92Å |
| 724 | T | 87.7 | Confident | 90.9 | Very high | 111 Ų | 111 | 44.4 Ų | 44.4 | 68% | 0.681 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -61 | -40 | 179 | -54.6 | 0 | 0 | 0 | 0 | 112 | M720 F722 | M720-T724 PolarHBondContact O-N 2.9Å; M720-T724 PolarHBondContact O-OG1 2.93Å; F722-T724 PolarHBondContact O-N 2.98Å |
| 725 | K | 90.1 | Very high | 91.2 | Very high | 139 Ų | 139 | 44 Ų | 44 | 60% | 0.604 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -73.4 | -37.2 | 177.2 | -69.8 | -179.5 | -179.2 | 179.6 | 0 | 112.3 | M591 A721 F722 Q723 F727 Y728 | M591-K725 HydrophobicContact SD-CB 4.37Å; A721-K725 PolarHBondContact O-N 2.87Å; F722-K725 PolarHBondContact O-N 2.84Å; F722-K725 VanDerWaalsContact O-N 3.16Å; Q723-K725 VanDerWaalsContact C-N 3.31Å; Q723-K725 PolarHBondContact O-N 2.73Å; K725-F727 VanDerWaalsContact C-N 3.34Å; K725-F727 PolarHBondContact O-N 3.3Å; K725-Y728 WeakPolarHBondContact O-CB 3.3Å; K725-Y728 PolarHBondContact O-N 3.09Å |
| 726 | Y | 90.2 | Very high | 91.4 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.9 | -42.9 | -176.6 | -172 | -90 | 0 | 0 | 0 | 111.9 | T589 S602 L605 G635 P636 F722 Q723 | T589-Y726 WeakPolarHBondContact CB-O 3.03Å; T589-Y726 HydrophobicContact CG2-CD2 3.82Å; T589-Y726 HydrophobicContact CG2-CE2 3.35Å; T589-Y726 PolarHBondContact OG1-O 3.47Å; S602-Y726 WeakPolarHBondContact OG-CE2 3.3Å; L605-Y726 HydrophobicContact CD2-CD1 3.82Å; L605-Y726 HydrophobicContact CD2-CD2 4.32Å; L605-Y726 HydrophobicContact CD2-CE1 4.45Å; L605-Y726 HydrophobicContact CD2-CG 3.75Å; G635-Y726 WeakPolarHBondContact CA-OH 3.37Å; P636-Y726 VanDerWaalsContact CD-OH 3.27Å; P636-Y726 WeakPolarHBondContact CD-OH 3.35Å; F722-Y726 HydrophobicContact CD1-CD2 4.5Å; F722-Y726 AromaticContact CE1-CD2 3.55Å; F722-Y726 HydrophobicContact CE1-CD2 3.55Å; F722-Y726 HydrophobicContact CE1-CE2 4.33Å; F722-Y726 HydrophobicContact CE1-CG 4.18Å; F722-Y726 AromaticContact CZ-CD2 3.84Å; F722-Y726 HydrophobicContact CZ-CD2 3.84Å; F722-Y726 VanDerWaalsContact O-CB 3.3Å; F722-Y726 WeakPolarHBondContact O-CB 3.48Å; F722-Y726 PolarHBondContact O-N 3.46Å; Q723-Y726 PolarHBondContact O-N 3.45Å |
| 727 | F | 89.9 | Confident | 91.4 | Very high | 14 Ų | 14 | 38.7 Ų | 38.7 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 3.2 | -179.4 | -62.2 | -53.2 | 0 | 0 | 0 | 114.6 | I587 I609 V658 Q723 K725 M730 F756 C758 | I587-F727 HydrophobicContact CG2-CD1 4.49Å; I587-F727 HydrophobicContact CG2-CE1 4.48Å; I609-F727 HydrophobicContact CD1-CZ 3.9Å; V658-F727 HydrophobicContact CG1-CE2 4.37Å; V658-F727 HydrophobicContact CG1-CZ 3.84Å; Q723-F727 HydrophobicContact CG-CD2 3.9Å; Q723-F727 HydrophobicContact CG-CE2 3.75Å; Q723-F727 WeakPolarHBondContact O-CD2 3.33Å; Q723-F727 PolarHBondContact O-N 2.92Å; K725-F727 VanDerWaalsContact C-N 3.34Å; K725-F727 PolarHBondContact O-N 3.3Å; F727-M730 HydrophobicContact CB-SD 3.93Å; F727-M730 HydrophobicContact CD1-SD 3.49Å; F727-M730 WeakPolarHBondContact CD1-SD 3.06Å; F727-M730 HydrophobicContact CE1-SD 4.45Å; F727-M730 HydrophobicContact CG-SD 4.17Å; F727-F756 HydrophobicContact CB-CD1 4.18Å; F727-F756 HydrophobicContact CD1-CD1 4.39Å; F727-F756 HydrophobicContact CD1-CE1 4.12Å; F727-F756 HydrophobicContact CD2-CE1 4.32Å; F727-F756 HydrophobicContact CE1-CE1 4.26Å; F727-F756 HydrophobicContact CE2-CE1 4.45Å; F727-F756 HydrophobicContact CG-CD1 4.16Å; F727-F756 HydrophobicContact CG-CE1 4.14Å; F727-F756 HydrophobicContact CZ-CE1 4.41Å; F727-C758 VanDerWaalsContact O-CB 3.29Å; F727-C758 WeakPolarHBondContact O-CB 3.37Å |
| 728 | Y | 89 | Confident | 91.3 | Very high | 128 Ų | 128 | 35.9 Ų | 35.9 | 50% | 0.502 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -44.7 | -178.4 | 178.8 | -109.5 | 0 | 0 | 0 | 112.6 | K725 C758 H759 | K725-Y728 WeakPolarHBondContact O-CB 3.3Å; K725-Y728 PolarHBondContact O-N 3.09Å; Y728-C758 WeakPolarHBondContact O-CA 3.46Å; Y728-H759 AromaticContact CE2-CD2 3.79Å; Y728-H759 AromaticContact CE2-NE2 3.94Å; Y728-H759 AromaticContact CZ-CD2 3.41Å; Y728-H759 VanDerWaalsContact CZ-CD2 3.41Å; Y728-H759 AromaticContact CZ-NE2 3.82Å; Y728-H759 PolarHBondContact O-N 2.78Å; Y728-H759 PolarHBondContact OH-CD2 3.5Å; Y728-H759 PolarHBondContact OH-NE2 3.38Å |
| 729 | Q | 90.8 | Very high | 90.9 | Very high | 63 Ų | 63 | 33.1 Ų | 33.1 | 29% | 0.294 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 124.3 | 174.6 | -80.7 | 178.7 | -11.1 | 0 | 0 | 109.5 | G590 H759 | G590-Q729 PolarHBondContact N-O 3.41Å; Q729-H759 VanDerWaalsContact CA-O 3.29Å; Q729-H759 WeakPolarHBondContact CA-O 3.38Å; Q729-H759 HydrophobicContact CG-CB 4.09Å |
| 730 | M | 90.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 155.3 | -172.5 | -57.5 | -164.6 | -62.8 | 0 | 0 | 113.4 | I587 S588 F727 I732 F756 C758 H759 K761 | I587-M730 HydrophobicContact CG2-CB 4.35Å; I587-M730 HydrophobicContact CG2-CE 4.48Å; I587-M730 HydrophobicContact CG2-CG 4.19Å; I587-M730 HydrophobicContact CG2-SD 3.34Å; I587-M730 WeakPolarHBondContact CG2-SD 3.42Å; S588-M730 CarbonylContact O-C 3.55Å; S588-M730 VanDerWaalsContact O-CA 3.26Å; S588-M730 WeakPolarHBondContact O-CA 3.33Å; F727-M730 HydrophobicContact CB-SD 3.93Å; F727-M730 HydrophobicContact CD1-SD 3.49Å; F727-M730 WeakPolarHBondContact CD1-SD 3.06Å; F727-M730 HydrophobicContact CE1-SD 4.45Å; F727-M730 HydrophobicContact CG-SD 4.17Å; M730-I732 HydrophobicContact CE-CD1 4.4Å; M730-F756 HydrophobicContact CE-CB 3.45Å; M730-F756 VanDerWaalsContact CE-CB 3.45Å; M730-F756 HydrophobicContact CE-CD1 4.04Å; M730-F756 HydrophobicContact CE-CD2 3.69Å; M730-F756 HydrophobicContact CE-CE2 4.44Å; M730-F756 HydrophobicContact CE-CG 3.46Å; M730-F756 VanDerWaalsContact CE-CG 3.46Å; M730-C758 HydrophobicContact CB-CB 4.49Å; M730-C758 HydrophobicContact CE-CB 3.55Å; M730-C758 WeakPolarHBondContact CE-SG 3.37Å; M730-C758 HydrophobicContact CG-CB 4.23Å; M730-H759 PolarHBondContact N-O 3.14Å; M730-K761 PolarHBondContact O-N 2.78Å |
| 731 | E | 90.1 | Very high | 90.5 | Very high | 73 Ų | 73 | 32.4 Ų | 32.4 | 34% | 0.341 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 129.4 | 163.5 | 175.4 | 178.9 | -157.7 | 0 | 0 | 108.1 | Y565 S588 K761 | Y565-E731 WeakPolarHBondContact O-CA 3.48Å; S588-E731 PolarHBondContact N-O 3.2Å; S588-E731 PolarHBondContact O-N 3.27Å; E731-K761 HydrophobicContact CB-CB 4.09Å; E731-K761 HydrophobicContact CB-CD 4.02Å; E731-K761 IonicContact OE2-NZ 3.69Å |
| 732 | I | 92 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 116.9 | -175.1 | -56.1 | 175.3 | 0 | 0 | 0 | 108.7 | Y565 G566 S567 I585 M730 F749 T752 I753 | Y565-I732 PolarHBondContact O-N 3.33Å; G566-I732 CarbonylContact C-O 3.53Å; G566-I732 WeakPolarHBondContact CA-O 3.37Å; S567-I732 PolarHBondContact N-O 2.96Å; I585-I732 HydrophobicContact CG2-CG2 4.36Å; M730-I732 HydrophobicContact CE-CD1 4.4Å; I732-F749 HydrophobicContact CB-CE2 4.32Å; I732-F749 HydrophobicContact CG2-CE2 4.13Å; I732-T752 HydrophobicContact CD1-CG2 4.02Å; I732-I753 HydrophobicContact CD1-CG1 3.99Å |
| 733 | I | 92.3 | Very high | 90.3 | Very high | 22 Ų | 22 | 35.1 Ų | 35.1 | 11% | 0.113 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 118.4 | 168.1 | -57.2 | 176.1 | 0 | 0 | 0 | 106.7 | S567 I585 Q586 W920 I923 | S567-I733 WeakPolarHBondContact O-CA 3.41Å; I585-I733 CarbonylContact C-O 3.26Å; I585-I733 VanDerWaalsContact CA-O 3.31Å; I585-I733 WeakPolarHBondContact CA-O 3.35Å; Q586-I733 HydrophobicContact CB-CB 4.4Å; Q586-I733 PolarHBondContact N-O 3.29Å; Q586-I733 PolarHBondContact O-N 3.25Å; I733-W920 HydrophobicContact CB-CH2 4.43Å; I733-W920 HydrophobicContact CG2-CH2 4.04Å; I733-W920 HydrophobicContact CG2-CZ3 3.9Å; I733-I923 HydrophobicContact CG2-CG2 3.71Å |
| 734 | M | 95.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 134.9 | -178.3 | -172.1 | 169.1 | -157.8 | 0 | 0 | 110.1 | S567 L568 W569 I583 Y584 I585 Y651 I736 L748 F749 | S567-M734 PolarHBondContact O-N 3.16Å; L568-M734 CarbonylContact C-O 3.57Å; L568-M734 WeakPolarHBondContact CA-O 3.41Å; L568-M734 HydrophobicContact CD1-CB 3.94Å; L568-M734 HydrophobicContact CD1-CG 3.92Å; L568-M734 HydrophobicContact CD1-SD 4.16Å; W569-M734 PolarHBondContact N-O 3.3Å; I583-M734 HydrophobicContact CG2-CE 3.53Å; Y584-M734 CarbonylContact O-C 3.45Å; Y584-M734 WeakPolarHBondContact O-CA 3.37Å; I585-M734 HydrophobicContact CD1-CE 3.81Å; I585-M734 HydrophobicContact CG1-CB 4.29Å; I585-M734 HydrophobicContact CG1-CE 4.04Å; I585-M734 HydrophobicContact CG1-CG 3.83Å; I585-M734 HydrophobicContact CG1-SD 4.32Å; Y651-M734 HydrophobicContact CE1-CE 4.1Å; M734-I736 HydrophobicContact CE-CD1 3.65Å; M734-I736 HydrophobicContact CE-CG1 4.12Å; M734-I736 HydrophobicContact CG-CD1 4.41Å; M734-I736 HydrophobicContact CG-CG1 4.1Å; M734-I736 HydrophobicContact SD-CD1 4.22Å; M734-L748 HydrophobicContact CE-CB 3.82Å; M734-F749 HydrophobicContact CB-CD2 3.97Å; M734-F749 HydrophobicContact CB-CE2 4.42Å; M734-F749 HydrophobicContact SD-CB 4.06Å; M734-F749 HydrophobicContact SD-CD2 4.04Å |
| 735 | Y | 95.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 125 | 173.8 | 169.4 | -129.3 | 0 | 0 | 0 | 110 | P550 W569 Q571 Y584 V737 S916 W920 I923 | P550-Y735 HydrophobicContact CB-CE2 3.95Å; P550-Y735 HydrophobicContact CG-CE2 3.94Å; W569-Y735 HydrophobicContact CB-CD2 3.74Å; W569-Y735 HydrophobicContact CB-CG 4.32Å; W569-Y735 WeakPolarHBondContact O-CA 3.4Å; Q571-Y735 HydrophobicContact CB-CE2 3.96Å; Q571-Y735 PolarHBondContact OE1-OH 2.85Å; Y584-Y735 AromaticContact CD2-CD1 3.67Å; Y584-Y735 HydrophobicContact CD2-CD1 3.67Å; Y584-Y735 HydrophobicContact CD2-CE1 4.2Å; Y584-Y735 HydrophobicContact CE2-CD1 4.28Å; Y584-Y735 HydrophobicContact CE2-CE1 4.38Å; Y584-Y735 HydrophobicContact CG-CD1 4.23Å; Y584-Y735 PolarHBondContact N-O 2.94Å; Y584-Y735 PolarHBondContact O-N 3.17Å; Y735-V737 HydrophobicContact CE1-CB 4.27Å; Y735-V737 HydrophobicContact CE1-CG1 3.8Å; Y735-V737 HydrophobicContact CE2-CB 3.96Å; Y735-V737 HydrophobicContact CE2-CG1 4.38Å; Y735-S916 WeakPolarHBondContact CE1-O 3.34Å; Y735-W920 HydrophobicContact CD1-CB 4.12Å; Y735-W920 HydrophobicContact CD1-CE3 4.11Å; Y735-W920 HydrophobicContact CE1-CB 4.47Å; Y735-W920 HydrophobicContact CG-CE3 4.32Å; Y735-I923 HydrophobicContact CD1-CD1 3.82Å; Y735-I923 HydrophobicContact CD2-CD1 3.51Å; Y735-I923 HydrophobicContact CE1-CD1 4.24Å; Y735-I923 HydrophobicContact CE2-CD1 3.97Å; Y735-I923 HydrophobicContact CG-CD1 3.42Å; Y735-I923 VanDerWaalsContact CG-CD1 3.42Å |
| 736 | I | 95 | Very high | 90.7 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 130.3 | -179.5 | -50.4 | -173.8 | 0 | 0 | 0 | 109.6 | W569 Y570 Q571 Y582 I583 M734 V740 A745 L748 | W569-I736 PolarHBondContact O-N 3.47Å; Y570-I736 CarbonylContact C-O 3.56Å; Y570-I736 WeakPolarHBondContact CA-O 3.3Å; Q571-I736 PolarHBondContact N-O 2.99Å; Y582-I736 WeakPolarHBondContact O-CA 3.49Å; I583-I736 HydrophobicContact CG1-CD1 4.42Å; I583-I736 HydrophobicContact CG1-CG1 4.29Å; I583-I736 HydrophobicContact CG1-CG2 4.2Å; I583-I736 HydrophobicContact CG2-CG1 4.43Å; M734-I736 HydrophobicContact CE-CD1 3.65Å; M734-I736 HydrophobicContact CE-CG1 4.12Å; M734-I736 HydrophobicContact CG-CD1 4.41Å; M734-I736 HydrophobicContact CG-CG1 4.1Å; M734-I736 HydrophobicContact SD-CD1 4.22Å; I736-V740 HydrophobicContact CG2-CG2 3.73Å; I736-A745 HydrophobicContact CB-CB 4.27Å; I736-A745 HydrophobicContact CD1-CB 3.71Å; I736-A745 HydrophobicContact CG1-CB 4.37Å; I736-L748 HydrophobicContact CD1-CB 4.24Å; I736-L748 HydrophobicContact CD1-CD1 3.84Å |
| 737 | V | 92.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 140.3 | -176.8 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | Q571 F573 A581 Y582 Y584 Y735 L912 S916 | Q571-V737 HydrophobicContact CB-CB 4.09Å; Q571-V737 HydrophobicContact CB-CG2 3.71Å; Q571-V737 HydrophobicContact CG-CG2 4.04Å; Q571-V737 VanDerWaalsContact O-CA 3.27Å; Q571-V737 WeakPolarHBondContact O-CA 3.39Å; Q571-V737 WeakPolarHBondContact O-CG2 3.33Å; F573-V737 HydrophobicContact CB-CG2 4.21Å; A581-V737 CarbonylContact C-O 3.2Å; A581-V737 VanDerWaalsContact CA-O 3.25Å; A581-V737 WeakPolarHBondContact CA-O 3.34Å; Y582-V737 PolarHBondContact N-O 3.29Å; Y582-V737 PolarHBondContact O-N 3.35Å; Y584-V737 HydrophobicContact CE2-CG1 4.49Å; Y735-V737 HydrophobicContact CE1-CB 4.27Å; Y735-V737 HydrophobicContact CE1-CG1 3.8Å; Y735-V737 HydrophobicContact CE2-CB 3.96Å; Y735-V737 HydrophobicContact CE2-CG1 4.38Å; V737-L912 HydrophobicContact CG1-CD1 4.48Å; V737-L912 HydrophobicContact CG2-CD1 3.74Å; V737-S916 VanDerWaalsContact CG1-CB 3.4Å |
| 738 | G | 88.3 | Confident | 91 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 141 | -162.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q571 F573 E580 V740 | Q571-G738 PolarHBondContact O-N 2.97Å; F573-G738 PolarHBondContact N-O 2.62Å; F573-G738 CarbonylContact O-C 3.58Å; F573-G738 VanDerWaalsContact O-C 3.23Å; E580-G738 WeakPolarHBondContact O-CA 3.46Å; G738-V740 PolarHBondContact O-N 3.27Å |
| 739 | D | 84.7 | Confident | 91.2 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 3% | 0.032 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -83 | 69.4 | 170.8 | 179.4 | 18 | 0 | 0 | 0 | 110.2 | S541 S542 F573 N574 N579 C644 | S541-D739 PolarHBondContact N-OD2 2.82Å; S541-D739 PolarHBondContact OG-O 3.46Å; S542-D739 PolarHBondContact N-OD1 2.89Å; S542-D739 PolarHBondContact OG-OD1 3.44Å; F573-D739 PolarHBondContact O-N 3.46Å; N574-D739 PolarHBondContact OD1-OD1 2.83Å; N579-D739 WeakPolarHBondContact OD1-CB 3.45Å; N579-D739 PolarHBondContact OD1-OD2 3.09Å; C644-D739 WeakPolarHBondContact CB-O 3.41Å; C644-D739 PolarHBondContact SG-O 3.21Å |
| 740 | V | 85.5 | Confident | 91.3 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | trans | -136 | 142.5 | -179.9 | -75.5 | 0 | 0 | 0 | 0 | 109.2 | Y570 Q572 A581 C644 I647 I736 G738 L744 | Y570-V740 HydrophobicContact CE2-CG2 4.32Å; Y570-V740 WeakPolarHBondContact CE2-O 3.38Å; Y570-V740 PolarHBondContact OH-O 3.45Å; Q572-V740 PolarHBondContact OE1-O 3.19Å; A581-V740 HydrophobicContact CB-CG1 3.61Å; A581-V740 HydrophobicContact CB-CG2 4.23Å; C644-V740 HydrophobicContact CB-CG1 4.04Å; I647-V740 HydrophobicContact CG2-CG1 4.42Å; I736-V740 HydrophobicContact CG2-CG2 3.73Å; G738-V740 PolarHBondContact O-N 3.27Å; V740-L744 HydrophobicContact CB-CD2 4.11Å; V740-L744 HydrophobicContact CG1-CD2 3.91Å | ||
| 741 | T | 87.7 | Confident | 91.6 | Very high | 42 Ų | 42 | 27 Ų | 27 | 26% | 0.258 | 14% | 0.14 | S | C | . | . | trans | -75 | 152.2 | -177.3 | 63.3 | 0 | 0 | 0 | 0 | 112.5 | N743 L744 A745 | T741-N743 PolarHBondContact O-N 3.23Å; T741-L744 PolarHBondContact O-N 3.04Å; T741-L744 VanDerWaalsContact O-N 3.14Å; T741-L744 PolarHBondContact OG1-N 3.19Å; T741-A745 PolarHBondContact O-N 2.85Å | ||
| 742 | C | 88.7 | Confident | 91.7 | Very high | 28 Ų | 28 | 23.5 Ų | 23.5 | 19% | 0.189 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.5 | -31.9 | 172.4 | 64.5 | 0 | 0 | 0 | 0 | 113.1 | L553 Y570 A745 K746 | L553-C742 HydrophobicContact CD1-CB 4.37Å; Y570-C742 HydrophobicContact CD1-CB 4.04Å; Y570-C742 HydrophobicContact CE1-CB 3.76Å; Y570-C742 PolarHBondContact OH-N 2.92Å; C742-A745 PolarHBondContact O-N 3.5Å; C742-K746 WeakPolarHBondContact O-CE 3.42Å; C742-K746 PolarHBondContact O-N 2.96Å; C742-K746 VanDerWaalsContact O-N 3.15Å |
| 743 | N | 89.8 | Confident | 91.7 | Very high | 94 Ų | 94 | 23.9 Ų | 23.9 | 50% | 0.503 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -68.5 | -42.5 | 177.3 | -72.5 | -25.9 | 0 | 0 | 0 | 111.9 | T741 A745 K746 D747 | T741-N743 PolarHBondContact O-N 3.23Å; N743-A745 PolarHBondContact O-N 3Å; N743-K746 PolarHBondContact O-N 3.06Å; N743-K746 VanDerWaalsContact O-N 3.16Å; N743-K746 WeakPolarHBondContact OD1-CE 3.28Å; N743-K746 PolarHBondContact OD1-NZ 3.29Å; N743-D747 PolarHBondContact O-N 3.26Å |
| 744 | L | 90.7 | Very high | 91.6 | Very high | 37 Ų | 37 | 25.1 Ų | 25.1 | 19% | 0.194 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.2 | -38.9 | 173.9 | 177.6 | 61.2 | 0 | 0 | 0 | 110.9 | V740 T741 D747 L748 | V740-L744 HydrophobicContact CB-CD2 4.11Å; V740-L744 HydrophobicContact CG1-CD2 3.91Å; T741-L744 PolarHBondContact O-N 3.04Å; T741-L744 VanDerWaalsContact O-N 3.14Å; T741-L744 PolarHBondContact OG1-N 3.19Å; L744-D747 PolarHBondContact O-N 2.65Å; L744-L748 HydrophobicContact CD1-CD1 4.04Å; L744-L748 HydrophobicContact CD1-CD2 4.47Å; L744-L748 HydrophobicContact CD1-CG 4.05Å; L744-L748 HydrophobicContact CG-CD1 3.95Å; L744-L748 HydrophobicContact CG-CG 4.39Å; L744-L748 VanDerWaalsContact O-CG 3.25Å; L744-L748 WeakPolarHBondContact O-CG 3.43Å; L744-L748 PolarHBondContact O-N 2.99Å |
| 745 | A | 92.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.5 | -43.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L553 L568 Y570 I736 T741 C742 N743 L748 F749 | L553-A745 HydrophobicContact CD1-CB 4.45Å; L568-A745 HydrophobicContact CD2-CB 4.5Å; Y570-A745 HydrophobicContact CD2-CB 4.07Å; I736-A745 HydrophobicContact CB-CB 4.27Å; I736-A745 HydrophobicContact CD1-CB 3.71Å; I736-A745 HydrophobicContact CG1-CB 4.37Å; T741-A745 PolarHBondContact O-N 2.85Å; C742-A745 PolarHBondContact O-N 3.5Å; N743-A745 PolarHBondContact O-N 3Å; A745-L748 PolarHBondContact O-N 3.48Å; A745-F749 PolarHBondContact O-N 2.63Å; A745-F749 VanDerWaalsContact O-N 3.08Å |
| 746 | K | 93.4 | Very high | 91.1 | Very high | 40 Ų | 40 | 28.9 Ų | 28.9 | 17% | 0.174 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.5 | -40.8 | 175.1 | -71.6 | 179.3 | -82.8 | -167.4 | 0 | 112.2 | L553 E556 F557 L568 C742 N743 F749 T750 | L553-K746 HydrophobicContact CD1-CG 4.35Å; E556-K746 WeakPolarHBondContact OE2-CD 3.4Å; E556-K746 IonicContact OE2-NZ 2.77Å; E556-K746 PolarHBondContact OE2-NZ 2.95Å; F557-K746 HydrophobicContact CE2-CG 4.25Å; F557-K746 HydrophobicContact CZ-CB 4Å; F557-K746 HydrophobicContact CZ-CD 4.47Å; F557-K746 HydrophobicContact CZ-CG 3.87Å; L568-K746 HydrophobicContact CD2-CG 4.02Å; C742-K746 WeakPolarHBondContact O-CE 3.42Å; C742-K746 PolarHBondContact O-N 2.96Å; C742-K746 VanDerWaalsContact O-N 3.15Å; N743-K746 PolarHBondContact O-N 3.06Å; N743-K746 VanDerWaalsContact O-N 3.16Å; N743-K746 WeakPolarHBondContact OD1-CE 3.28Å; N743-K746 PolarHBondContact OD1-NZ 3.29Å; K746-F749 PolarHBondContact O-N 2.78Å; K746-T750 WeakPolarHBondContact O-CG2 3.13Å; K746-T750 PolarHBondContact O-N 3.32Å; K746-T750 PolarHBondContact O-OG1 2.8Å |
| 747 | D | 93.2 | Very high | 90.7 | Very high | 103 Ų | 103 | 37.2 Ų | 37.2 | 55% | 0.551 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -64.7 | -41.3 | 177.8 | -72.1 | -13.7 | 0 | 0 | 0 | 111.9 | N743 L744 T750 Y751 | N743-D747 PolarHBondContact O-N 3.26Å; L744-D747 PolarHBondContact O-N 2.65Å; D747-T750 PolarHBondContact O-OG1 3.23Å; D747-T750 VanDerWaalsContact O-OG1 3.08Å; D747-Y751 WeakPolarHBondContact O-CB 3.37Å; D747-Y751 PolarHBondContact O-N 2.9Å |
| 748 | L | 94.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.1 | -38.3 | 178.5 | -66.6 | 169.2 | 0 | 0 | 0 | 111.5 | I583 Y651 M734 I736 L744 A745 T752 | I583-L748 HydrophobicContact CD1-CD1 3.9Å; Y651-L748 HydrophobicContact CD1-CB 4.43Å; Y651-L748 HydrophobicContact CD1-CD2 3.61Å; Y651-L748 HydrophobicContact CD1-CG 4.47Å; Y651-L748 HydrophobicContact CE1-CB 4.33Å; Y651-L748 HydrophobicContact CE1-CD2 4.27Å; M734-L748 HydrophobicContact CE-CB 3.82Å; I736-L748 HydrophobicContact CD1-CB 4.24Å; I736-L748 HydrophobicContact CD1-CD1 3.84Å; L744-L748 HydrophobicContact CD1-CD1 4.04Å; L744-L748 HydrophobicContact CD1-CD2 4.47Å; L744-L748 HydrophobicContact CD1-CG 4.05Å; L744-L748 HydrophobicContact CG-CD1 3.95Å; L744-L748 HydrophobicContact CG-CG 4.39Å; L744-L748 VanDerWaalsContact O-CG 3.25Å; L744-L748 WeakPolarHBondContact O-CG 3.43Å; L744-L748 PolarHBondContact O-N 2.99Å; A745-L748 PolarHBondContact O-N 3.48Å; L748-T752 WeakPolarHBondContact O-CB 2.76Å; L748-T752 PolarHBondContact O-N 3.26Å; L748-T752 PolarHBondContact O-OG1 3.47Å |
| 749 | F | 94.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.9 | -51.1 | 175.9 | -173.9 | -107.2 | 0 | 0 | 0 | 111.7 | F557 L568 I732 M734 A745 K746 Y751 T752 I753 | F557-F749 AromaticContact CE2-CD1 3.93Å; F557-F749 HydrophobicContact CE2-CD1 3.93Å; F557-F749 HydrophobicContact CE2-CE1 4.36Å; F557-F749 HydrophobicContact CZ-CD1 4.07Å; L568-F749 HydrophobicContact CB-CD1 4.5Å; L568-F749 HydrophobicContact CB-CD2 4.11Å; L568-F749 HydrophobicContact CB-CE2 4.38Å; L568-F749 HydrophobicContact CB-CG 4.17Å; L568-F749 HydrophobicContact CD1-CB 4.11Å; L568-F749 HydrophobicContact CD1-CD2 4.28Å; L568-F749 HydrophobicContact CD1-CG 4.39Å; L568-F749 HydrophobicContact CD2-CB 3.9Å; L568-F749 HydrophobicContact CD2-CG 4.25Å; L568-F749 HydrophobicContact CG-CB 4.43Å; L568-F749 HydrophobicContact CG-CG 4.5Å; I732-F749 HydrophobicContact CB-CE2 4.32Å; I732-F749 HydrophobicContact CG2-CE2 4.13Å; M734-F749 HydrophobicContact CB-CD2 3.97Å; M734-F749 HydrophobicContact CB-CE2 4.42Å; M734-F749 HydrophobicContact SD-CB 4.06Å; M734-F749 HydrophobicContact SD-CD2 4.04Å; A745-F749 PolarHBondContact O-N 2.63Å; A745-F749 VanDerWaalsContact O-N 3.08Å; K746-F749 PolarHBondContact O-N 2.78Å; F749-Y751 VanDerWaalsContact C-N 3.35Å; F749-Y751 PolarHBondContact O-N 3.4Å; F749-T752 WeakPolarHBondContact O-CB 3.36Å; F749-T752 PolarHBondContact O-N 2.94Å; F749-I753 HydrophobicContact CD1-CD1 3.88Å; F749-I753 HydrophobicContact CE1-CD1 3.5Å; F749-I753 VanDerWaalsContact CE1-CD1 3.5Å; F749-I753 HydrophobicContact CZ-CD1 3.86Å; F749-I753 PolarHBondContact O-N 3.11Å |
| 750 | T | 93.1 | Very high | 90.6 | Very high | 38 Ų | 38 | 43 Ų | 43 | 23% | 0.233 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.8 | -38.6 | 178.5 | 54 | 0 | 0 | 0 | 0 | 111.9 | F557 F562 K746 D747 T752 I753 G754 | F557-T750 HydrophobicContact CE1-CG2 3.78Å; F557-T750 HydrophobicContact CZ-CG2 4.13Å; F562-T750 HydrophobicContact CD1-CG2 4.2Å; F562-T750 HydrophobicContact CD2-CG2 4.09Å; F562-T750 HydrophobicContact CE1-CG2 4.12Å; F562-T750 HydrophobicContact CE2-CG2 4.03Å; F562-T750 HydrophobicContact CG-CG2 4.18Å; F562-T750 HydrophobicContact CZ-CG2 4.04Å; K746-T750 WeakPolarHBondContact O-CG2 3.13Å; K746-T750 PolarHBondContact O-N 3.32Å; K746-T750 PolarHBondContact O-OG1 2.8Å; D747-T750 PolarHBondContact O-OG1 3.23Å; D747-T750 VanDerWaalsContact O-OG1 3.08Å; T750-T752 VanDerWaalsContact C-N 3.34Å; T750-T752 PolarHBondContact O-N 3.46Å; T750-I753 PolarHBondContact O-N 3.31Å; T750-G754 PolarHBondContact O-N 2.66Å |
| 751 | Y | 94.3 | Very high | 90.5 | Very high | 76 Ų | 76 | 45.1 Ų | 45.1 | 30% | 0.298 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.2 | -44.7 | 172.2 | 178.5 | -90.4 | 0 | 0 | 0 | 111.9 | K652 L655 D747 F749 I753 G754 F755 | K652-Y751 HydrophobicContact CB-CE1 4.05Å; K652-Y751 HydrophobicContact CD-CE1 4.44Å; K652-Y751 HydrophobicContact CD-CE2 4.18Å; K652-Y751 HydrophobicContact CG-CD1 4.02Å; K652-Y751 HydrophobicContact CG-CE1 3.6Å; K652-Y751 HydrophobicContact CG-CE2 4.21Å; L655-Y751 HydrophobicContact CD1-CD1 3.91Å; L655-Y751 HydrophobicContact CD1-CE1 3.73Å; D747-Y751 WeakPolarHBondContact O-CB 3.37Å; D747-Y751 PolarHBondContact O-N 2.9Å; F749-Y751 VanDerWaalsContact C-N 3.35Å; F749-Y751 PolarHBondContact O-N 3.4Å; Y751-I753 PolarHBondContact O-N 3.13Å; Y751-G754 PolarHBondContact O-N 3.31Å; Y751-F755 HydrophobicContact CD1-CB 4.47Å; Y751-F755 HydrophobicContact CE1-CB 4.17Å; Y751-F755 HydrophobicContact CE1-CD2 4.13Å; Y751-F755 HydrophobicContact CE1-CG 4.36Å; Y751-F755 VanDerWaalsContact O-CB 3.22Å; Y751-F755 WeakPolarHBondContact O-CB 3.3Å; Y751-F755 PolarHBondContact O-N 2.83Å |
| 752 | T | 93.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.7 | -46.8 | -179.2 | -53.2 | 0 | 0 | 0 | 0 | 111 | Y651 L655 I732 L748 F749 T750 G754 F755 F756 | Y651-T752 WeakPolarHBondContact CE1-OG1 3.45Å; Y651-T752 WeakPolarHBondContact OH-CG2 3.37Å; Y651-T752 PolarHBondContact OH-OG1 2.88Å; L655-T752 HydrophobicContact CD1-CG2 4.4Å; I732-T752 HydrophobicContact CD1-CG2 4.02Å; L748-T752 WeakPolarHBondContact O-CB 2.76Å; L748-T752 PolarHBondContact O-N 3.26Å; L748-T752 PolarHBondContact O-OG1 3.47Å; F749-T752 WeakPolarHBondContact O-CB 3.36Å; F749-T752 PolarHBondContact O-N 2.94Å; T750-T752 VanDerWaalsContact C-N 3.34Å; T750-T752 PolarHBondContact O-N 3.46Å; T752-G754 PolarHBondContact O-N 2.83Å; T752-F755 PolarHBondContact O-N 2.77Å; T752-F756 HydrophobicContact CG2-CD2 4.09Å; T752-F756 HydrophobicContact CG2-CE2 3.98Å; T752-F756 WeakPolarHBondContact O-CD2 3.36Å; T752-F756 PolarHBondContact O-N 2.91Å |
| 753 | I | 91.7 | Very high | 88.7 | Confident | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 177.5 | -65.9 | 166.5 | 0 | 0 | 0 | 110.5 | F562 Y565 I732 F749 T750 Y751 F755 K757 | F562-I753 HydrophobicContact CB-CD1 4.33Å; F562-I753 HydrophobicContact CD1-CB 4.44Å; F562-I753 HydrophobicContact CD1-CD1 3.74Å; F562-I753 HydrophobicContact CD1-CG2 4.2Å; F562-I753 HydrophobicContact CE1-CG2 4.33Å; F562-I753 HydrophobicContact CG-CD1 4.49Å; Y565-I753 HydrophobicContact CD1-CD1 4.29Å; Y565-I753 HydrophobicContact CD1-CG1 4.06Å; Y565-I753 HydrophobicContact CD1-CG2 3.73Å; Y565-I753 HydrophobicContact CD2-CD1 4.22Å; Y565-I753 HydrophobicContact CD2-CG2 4.19Å; Y565-I753 HydrophobicContact CE1-CG2 3.58Å; Y565-I753 HydrophobicContact CE2-CG2 4.05Å; Y565-I753 HydrophobicContact CG-CD1 3.77Å; Y565-I753 HydrophobicContact CG-CG1 4.06Å; Y565-I753 HydrophobicContact CG-CG2 4.01Å; I732-I753 HydrophobicContact CD1-CG1 3.99Å; F749-I753 HydrophobicContact CD1-CD1 3.88Å; F749-I753 HydrophobicContact CE1-CD1 3.5Å; F749-I753 VanDerWaalsContact CE1-CD1 3.5Å; F749-I753 HydrophobicContact CZ-CD1 3.86Å; F749-I753 PolarHBondContact O-N 3.11Å; T750-I753 PolarHBondContact O-N 3.31Å; Y751-I753 PolarHBondContact O-N 3.13Å; I753-F755 VanDerWaalsContact C-N 3.31Å; I753-F755 PolarHBondContact O-N 3.46Å; I753-K757 PolarHBondContact O-N 2.81Å; I753-K757 VanDerWaalsContact O-N 3.12Å |
| 754 | G | 90.2 | Very high | 86.8 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 49% | 0.485 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.7 | -32.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T750 Y751 T752 K757 | T750-G754 PolarHBondContact O-N 2.66Å; Y751-G754 PolarHBondContact O-N 3.31Å; T752-G754 PolarHBondContact O-N 2.83Å; G754-K757 WeakPolarHBondContact O-CG 3.41Å |
| 755 | F | 91.7 | Very high | 84.9 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 24% | 0.237 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.9 | -49.2 | 179.6 | -179.2 | -94.4 | 0 | 0 | 0 | 111.7 | L655 K656 T659 Y751 T752 I753 K757 | L655-F755 HydrophobicContact CB-CD1 4.09Å; L655-F755 HydrophobicContact CB-CE1 3.91Å; L655-F755 HydrophobicContact CB-CG 4.49Å; L655-F755 HydrophobicContact CB-CZ 4.18Å; L655-F755 HydrophobicContact CD1-CD1 4.43Å; L655-F755 HydrophobicContact CD1-CG 4.43Å; L655-F755 WeakPolarHBondContact O-CE1 3.45Å; K656-F755 HydrophobicContact CG-CE2 4.1Å; K656-F755 HydrophobicContact CG-CZ 4.19Å; T659-F755 HydrophobicContact CG2-CE1 3.67Å; T659-F755 HydrophobicContact CG2-CZ 4.38Å; Y751-F755 HydrophobicContact CD1-CB 4.47Å; Y751-F755 HydrophobicContact CE1-CB 4.17Å; Y751-F755 HydrophobicContact CE1-CD2 4.13Å; Y751-F755 HydrophobicContact CE1-CG 4.36Å; Y751-F755 VanDerWaalsContact O-CB 3.22Å; Y751-F755 WeakPolarHBondContact O-CB 3.3Å; Y751-F755 PolarHBondContact O-N 2.83Å; T752-F755 PolarHBondContact O-N 2.77Å; I753-F755 VanDerWaalsContact C-N 3.31Å; I753-F755 PolarHBondContact O-N 3.46Å; F755-K757 VanDerWaalsContact C-N 3.34Å |
| 756 | F | 89.1 | Confident | 82.8 | Confident | 26 Ų | 26 | 63.5 Ų | 63.5 | 11% | 0.114 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -76.4 | -20 | 178.9 | -73.3 | -76.7 | 0 | 0 | 0 | 113.6 | I587 L655 V658 T659 F727 M730 T752 C758 | I587-F756 HydrophobicContact CD1-CE2 3.9Å; I587-F756 HydrophobicContact CD1-CZ 3.97Å; L655-F756 HydrophobicContact CD2-CE2 3.97Å; L655-F756 HydrophobicContact CD2-CZ 4.19Å; V658-F756 HydrophobicContact CG1-CE1 4.28Å; V658-F756 HydrophobicContact CG1-CZ 4.1Å; T659-F756 HydrophobicContact CG2-CD1 3.97Å; T659-F756 HydrophobicContact CG2-CE1 3.61Å; F727-F756 HydrophobicContact CB-CD1 4.18Å; F727-F756 HydrophobicContact CD1-CD1 4.39Å; F727-F756 HydrophobicContact CD1-CE1 4.12Å; F727-F756 HydrophobicContact CD2-CE1 4.32Å; F727-F756 HydrophobicContact CE1-CE1 4.26Å; F727-F756 HydrophobicContact CE2-CE1 4.45Å; F727-F756 HydrophobicContact CG-CD1 4.16Å; F727-F756 HydrophobicContact CG-CE1 4.14Å; F727-F756 HydrophobicContact CZ-CE1 4.41Å; M730-F756 HydrophobicContact CE-CB 3.45Å; M730-F756 VanDerWaalsContact CE-CB 3.45Å; M730-F756 HydrophobicContact CE-CD1 4.04Å; M730-F756 HydrophobicContact CE-CD2 3.69Å; M730-F756 HydrophobicContact CE-CE2 4.44Å; M730-F756 HydrophobicContact CE-CG 3.46Å; M730-F756 VanDerWaalsContact CE-CG 3.46Å; T752-F756 HydrophobicContact CG2-CD2 4.09Å; T752-F756 HydrophobicContact CG2-CE2 3.98Å; T752-F756 WeakPolarHBondContact O-CD2 3.36Å; T752-F756 PolarHBondContact O-N 2.91Å; F756-C758 HydrophobicContact CB-CB 4.21Å; F756-C758 PolarHBondContact O-N 2.84Å |
| 757 | K | 86.6 | Confident | 80.6 | Confident | 176 Ų | 176 | 66.9 Ų | 66.9 | 77% | 0.765 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 37.8 | -173.5 | -56.7 | -180 | -178.6 | 177.5 | 0 | 112.5 | I753 G754 F755 | I753-K757 PolarHBondContact O-N 2.81Å; I753-K757 VanDerWaalsContact O-N 3.12Å; G754-K757 WeakPolarHBondContact O-CG 3.41Å; F755-K757 VanDerWaalsContact C-N 3.34Å |
| 758 | C | 84.7 | Confident | 78.6 | Confident | 3 Ų | 3 | 64.6 Ų | 64.6 | 2% | 0.02 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -83.2 | 167.8 | -175.1 | 60.6 | 0 | 0 | 0 | 0 | 112.5 | Y565 F727 Y728 M730 F756 | Y565-C758 VanDerWaalsContact CE1-O 3.26Å; Y565-C758 WeakPolarHBondContact CE1-O 3.49Å; Y565-C758 VanDerWaalsContact CE1-SG 3.57Å; Y565-C758 PolarHBondContact OH-O 2.77Å; F727-C758 VanDerWaalsContact O-CB 3.29Å; F727-C758 WeakPolarHBondContact O-CB 3.37Å; Y728-C758 WeakPolarHBondContact O-CA 3.46Å; M730-C758 HydrophobicContact CB-CB 4.49Å; M730-C758 HydrophobicContact CE-CB 3.55Å; M730-C758 WeakPolarHBondContact CE-SG 3.37Å; M730-C758 HydrophobicContact CG-CB 4.23Å; F756-C758 HydrophobicContact CB-CB 4.21Å; F756-C758 PolarHBondContact O-N 2.84Å |
| 759 | H | 89.2 | Confident | 76.7 | Confident | 86 Ų | 86 | 69 Ų | 69 | 40% | 0.398 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 150.1 | 166.8 | -65.8 | -23.2 | 0 | 0 | 0 | 110.3 | Y728 Q729 M730 | Y728-H759 AromaticContact CE2-CD2 3.79Å; Y728-H759 AromaticContact CE2-NE2 3.94Å; Y728-H759 AromaticContact CZ-CD2 3.41Å; Y728-H759 VanDerWaalsContact CZ-CD2 3.41Å; Y728-H759 AromaticContact CZ-NE2 3.82Å; Y728-H759 PolarHBondContact O-N 2.78Å; Y728-H759 PolarHBondContact OH-CD2 3.5Å; Y728-H759 PolarHBondContact OH-NE2 3.38Å; Q729-H759 VanDerWaalsContact CA-O 3.29Å; Q729-H759 WeakPolarHBondContact CA-O 3.38Å; Q729-H759 HydrophobicContact CG-CB 4.09Å; M730-H759 PolarHBondContact N-O 3.14Å |
| 760 | P | 88.3 | Confident | 75.1 | Confident | 40 Ų | 40 | 70.5 Ų | 70.5 | 26% | 0.26 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 141.4 | 175.1 | 27.5 | -33.2 | 0 | 0 | 0 | 109.7 | D564 Y565 S762 | D564-P760 HydrophobicContact CB-CB 3.76Å; D564-P760 HydrophobicContact CB-CG 4.09Å; D564-P760 WeakPolarHBondContact O-CB 3.46Å; Y565-P760 HydrophobicContact CD1-CB 4.43Å; Y565-P760 HydrophobicContact CD2-CB 4.39Å; Y565-P760 HydrophobicContact CE2-CG 4.44Å; Y565-P760 HydrophobicContact CG-CB 4.37Å; P760-S762 PolarHBondContact O-N 2.82Å |
| 761 | K | 82.4 | Confident | 73.5 | Confident | 47 Ų | 47 | 72.3 Ų | 72.3 | 20% | 0.204 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 129.1 | 173.3 | -178.1 | 174.4 | 174.2 | -172.1 | 0 | 109.4 | M730 E731 K763 | M730-K761 PolarHBondContact O-N 2.78Å; E731-K761 HydrophobicContact CB-CB 4.09Å; E731-K761 HydrophobicContact CB-CD 4.02Å; E731-K761 IonicContact OE2-NZ 3.69Å; K761-K763 PolarHBondContact O-N 2.86Å |
| 762 | S | 74 | Confident | 71.9 | Confident | 46 Ų | 46 | 73 Ų | 73 | 32% | 0.322 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 134.1 | -176.7 | 70.6 | 0 | 0 | 0 | 0 | 111 | P760 E764 T765 | P760-S762 PolarHBondContact O-N 2.82Å; S762-E764 PolarHBondContact O-N 2.77Å; S762-E764 VanDerWaalsContact O-N 3.09Å; S762-T765 PolarHBondContact O-N 3.15Å; S762-T765 VanDerWaalsContact O-N 3.11Å; S762-T765 PolarHBondContact O-OG1 3.2Å; S762-T765 WeakPolarHBondContact OG-CG2 3.36Å; S762-T765 PolarHBondContact OG-N 3.33Å |
| 763 | K | 65.2 | Low | 70.5 | Confident | 168 Ų | 168 | 74.1 Ų | 74.1 | 73% | 0.73 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -18.3 | 173.7 | -66.2 | 176.3 | -175.8 | 162.1 | 0 | 112.5 | D564 K761 | D564-K763 WeakPolarHBondContact OD1-CE 3.22Å; D564-K763 IonicContact OD1-NZ 2.77Å; D564-K763 PolarHBondContact OD1-NZ 3.14Å; K761-K763 PolarHBondContact O-N 2.86Å |
| 764 | E | 50.7 | Low | 69.5 | Low | 180 Ų | 180 | 80.3 Ų | 80.3 | 84% | 0.841 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -11.2 | 178.3 | -67.4 | -177.7 | 169.5 | 0 | 0 | 114.7 | S762 Q766 | S762-E764 PolarHBondContact O-N 2.77Å; S762-E764 VanDerWaalsContact O-N 3.09Å; E764-Q766 PolarHBondContact O-N 3.4Å |
| 765 | T | 51.4 | Low | 68.7 | Low | 39 Ų | 39 | 79.6 Ų | 79.6 | 24% | 0.239 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -59.5 | 106.9 | 168.7 | 33 | 0 | 0 | 0 | 0 | 107.4 | S762 H767 | S762-T765 PolarHBondContact O-N 3.15Å; S762-T765 VanDerWaalsContact O-N 3.11Å; S762-T765 PolarHBondContact O-OG1 3.2Å; S762-T765 WeakPolarHBondContact OG-CG2 3.36Å; S762-T765 PolarHBondContact OG-N 3.33Å; T765-H767 PolarHBondContact O-N 3.21Å |
| 766 | Q | 47.8 | Very low | 68 | Low | 155 Ų | 155 | 77.2 Ų | 77.2 | 72% | 0.724 | 38% | 0.381 | S | S | * | . | trans | -42.5 | 129.7 | -164.2 | -75.1 | 178.9 | -21.3 | 0 | 0 | 110.7 | E764 I768 | E764-Q766 PolarHBondContact O-N 3.4Å; Q766-I768 PolarHBondContact O-N 3.15Å | ||
| 767 | H | 47.4 | Very low | 67.4 | Low | 110 Ų | 110 | 76.9 Ų | 76.9 | 51% | 0.509 | 38% | 0.38 | S | S | . | . | trans | -47 | 110.2 | 167 | -73.6 | -82.1 | 0 | 0 | 0 | 107.4 | T765 D769 N846 | T765-H767 PolarHBondContact O-N 3.21Å; H767-D769 PolarHBondContact O-N 3.43Å; H767-N846 PolarHBondContact ND1-O 2.87Å | ||
| 768 | I | 50.9 | Low | 66.9 | Low | 55 Ų | 55 | 69.9 Ų | 69.9 | 28% | 0.282 | 35% | 0.349 | S | S | . | . | trans | -71.6 | 87.9 | 178.4 | -59.6 | 168.7 | 0 | 0 | 0 | 105.3 | P699 Y700 Q766 | P699-I768 HydrophobicContact CB-CG2 4.41Å; P699-I768 HydrophobicContact CG-CG2 3.04Å; Y700-I768 HydrophobicContact CD2-CD1 4Å; Y700-I768 HydrophobicContact CE2-CD1 3.44Å; Y700-I768 VanDerWaalsContact CE2-CD1 3.44Å; Y700-I768 HydrophobicContact CE2-CG1 3.96Å; Y700-I768 HydrophobicContact CE2-CG2 4.5Å; Q766-I768 PolarHBondContact O-N 3.15Å | ||
| 769 | D | 53.8 | Low | 66.4 | Low | 95 Ų | 95 | 72.4 Ų | 72.4 | 51% | 0.508 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 132.2 | 171.6 | -75.5 | -30.1 | 0 | 0 | 0 | 107.9 | H767 S847 | H767-D769 PolarHBondContact O-N 3.43Å; D769-S847 PolarHBondContact OD1-OG 3.47Å |
| 770 | Y | 60.6 | Low | 65.5 | Low | 32 Ų | 32 | 70.6 Ų | 70.6 | 13% | 0.125 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 148.6 | 178.4 | -64.7 | -60.9 | 0 | 0 | 0 | 111.3 | W697 Y698 T772 L843 I844 I851 | W697-Y770 WeakPolarHBondContact O-CD1 3.43Å; Y698-Y770 HydrophobicContact CD1-CD1 4.41Å; Y698-Y770 AromaticContact CD1-CE1 3.68Å; Y698-Y770 HydrophobicContact CD1-CE1 3.68Å; Y698-Y770 AromaticContact CE1-CE1 3.65Å; Y698-Y770 HydrophobicContact CE1-CE1 3.65Å; Y770-T772 PolarHBondContact O-N 3.49Å; Y770-L843 HydrophobicContact CD2-CB 4.19Å; Y770-L843 HydrophobicContact CE2-CB 3.6Å; Y770-I844 PolarHBondContact OH-N 3.47Å; Y770-I844 PolarHBondContact OH-O 3.01Å; Y770-I851 HydrophobicContact CD2-CD1 4.32Å |
| 771 | I | 60.2 | Low | 64.7 | Low | 75 Ų | 75 | 71.5 Ų | 71.5 | 39% | 0.385 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 117.7 | 176.8 | -59.5 | 172.4 | 0 | 0 | 0 | 108.3 | P699 L773 | P699-I771 HydrophobicContact CB-CD1 4.33Å; P699-I771 HydrophobicContact CB-CG1 4.19Å; I771-L773 HydrophobicContact CG2-CG 4.34Å; I771-L773 PolarHBondContact O-N 2.81Å |
| 772 | T | 59.7 | Low | 63.9 | Low | 90 Ų | 90 | 69.7 Ų | 69.7 | 55% | 0.552 | 35% | 0.349 | S | S | * | . | trans | -82.1 | 85 | 178 | -20.3 | 0 | 0 | 0 | 0 | 109 | Y770 E801 | Y770-T772 PolarHBondContact O-N 3.49Å; T772-E801 WeakPolarHBondContact CG2-OE1 3.35Å | ||
| 773 | L | 64.7 | Low | 63.3 | Low | 24 Ų | 24 | 70 Ų | 70 | 13% | 0.126 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 139.3 | 172.4 | -77.4 | 157.1 | 0 | 0 | 0 | 110.3 | L696 I771 Y778 R799 I962 | L696-L773 HydrophobicContact CB-CD1 3.74Å; L696-L773 HydrophobicContact CD2-CD1 3.75Å; L696-L773 HydrophobicContact CD2-CD2 4.29Å; L696-L773 HydrophobicContact CG-CD1 4.21Å; I771-L773 HydrophobicContact CG2-CG 4.34Å; I771-L773 PolarHBondContact O-N 2.81Å; L773-Y778 HydrophobicContact CD2-CE1 4.05Å; L773-Y778 HydrophobicContact CD2-CE2 4.37Å; L773-R799 PolarHBondContact O-NH1 2.9Å; L773-I962 HydrophobicContact CB-CD1 3.9Å |
| 774 | Q | 70.7 | Confident | 63 | Low | 138 Ų | 138 | 63.1 Ų | 63.1 | 65% | 0.645 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -73 | 146.8 | 174.5 | -69.6 | -66.9 | -29.5 | 0 | 0 | 109.6 | G776 Y778 | Q774-G776 PolarHBondContact O-N 3.09Å; Q774-Y778 PolarHBondContact N-OH 2.99Å; Q774-Y778 WeakPolarHBondContact O-CE2 3.01Å; Q774-Y778 PolarHBondContact O-OH 3.13Å |
| 775 | P | 74.7 | Confident | 63.3 | Low | 33 Ų | 33 | 58.7 Ų | 58.7 | 21% | 0.214 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -56.3 | 130.5 | 171.1 | -20.5 | 31.7 | 0 | 0 | 0 | 110.1 | T959 K961 I983 | P775-T959 VanDerWaalsContact CG-C 3.47Å; P775-T959 WeakPolarHBondContact CG-O 3.44Å; P775-K961 WeakPolarHBondContact CA-O 3.48Å; P775-I983 HydrophobicContact CB-CD1 4.34Å |
| 776 | G | 76.4 | Confident | 63.3 | Low | 4 Ų | 4 | 60.2 Ų | 60.2 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.1 | 175.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q774 K961 T963 | Q774-G776 PolarHBondContact O-N 3.09Å; G776-K961 PolarHBondContact N-O 2.88Å; G776-K961 VanDerWaalsContact N-O 3.13Å; G776-T963 PolarHBondContact O-N 3.45Å |
| 777 | I | 77 | Confident | 63.5 | Low | 19 Ų | 19 | 58.6 Ų | 58.6 | 10% | 0.097 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 124.9 | 168.1 | -51.7 | -178.1 | 0 | 0 | 0 | 108 | Y779 I871 T963 L981 | I777-Y779 HydrophobicContact CB-CE2 4.39Å; I777-Y779 HydrophobicContact CG2-CD2 4.42Å; I777-Y779 HydrophobicContact CG2-CE1 4.31Å; I777-Y779 HydrophobicContact CG2-CE2 3.72Å; I777-I871 HydrophobicContact CD1-CD1 3.96Å; I777-T963 CarbonylContact C-O 3.55Å; I777-T963 WeakPolarHBondContact CA-O 3.22Å; I777-L981 PolarHBondContact O-N 3.18Å |
| 778 | Y | 75.3 | Confident | 63.7 | Low | 29 Ų | 29 | 57.2 Ų | 57.2 | 11% | 0.114 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.2 | 180 | -66.8 | -84.6 | 0 | 0 | 0 | 109.3 | L773 Q774 I962 T963 I964 F965 I978 | L773-Y778 HydrophobicContact CD2-CE1 4.05Å; L773-Y778 HydrophobicContact CD2-CE2 4.37Å; Q774-Y778 PolarHBondContact N-OH 2.99Å; Q774-Y778 WeakPolarHBondContact O-CE2 3.01Å; Q774-Y778 PolarHBondContact O-OH 3.13Å; Y778-I962 HydrophobicContact CD2-CG2 3.92Å; Y778-I962 HydrophobicContact CE2-CG2 3.97Å; Y778-T963 PolarHBondContact N-O 2.84Å; Y778-I964 CarbonylContact O-C 3.57Å; Y778-I964 WeakPolarHBondContact O-CA 3.13Å; Y778-F965 PolarHBondContact O-N 2.96Å; Y778-I978 HydrophobicContact CD1-CG2 3.51Å; Y778-I978 HydrophobicContact CE1-CG2 4.2Å |
| 779 | Y | 75.1 | Confident | 63.8 | Low | 55 Ų | 55 | 60.8 Ų | 60.8 | 22% | 0.216 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 131.7 | 176 | -63.4 | -86.2 | 0 | 0 | 0 | 109.7 | I777 K867 F965 | I777-Y779 HydrophobicContact CB-CE2 4.39Å; I777-Y779 HydrophobicContact CG2-CD2 4.42Å; I777-Y779 HydrophobicContact CG2-CE1 4.31Å; I777-Y779 HydrophobicContact CG2-CE2 3.72Å; Y779-K867 HydrophobicContact CE1-CD 4.35Å; Y779-F965 WeakPolarHBondContact CA-O 3.03Å; Y779-F965 HydrophobicContact CD1-CB 3.6Å; Y779-F965 HydrophobicContact CD1-CD1 4.38Å; Y779-F965 HydrophobicContact CD1-CG 4.06Å; Y779-F965 HydrophobicContact CE1-CB 3.83Å; Y779-F965 HydrophobicContact CE1-CD1 4.44Å; Y779-F965 HydrophobicContact CE1-CD2 4.31Å; Y779-F965 AromaticContact CE1-CG 3.94Å; Y779-F965 HydrophobicContact CE1-CG 3.94Å; Y779-F965 HydrophobicContact CG-CB 4.43Å |
| 780 | Y | 70.4 | Confident | 64.1 | Low | 48 Ų | 48 | 60.5 Ų | 60.5 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 119.5 | 174.3 | -168.2 | -103.3 | 0 | 0 | 0 | 109.3 | I692 V782 F965 V966 D967 I978 | I692-Y780 HydrophobicContact CD1-CD1 3.3Å; I692-Y780 HydrophobicContact CD1-CE1 3.51Å; I692-Y780 HydrophobicContact CD1-CG 4.25Å; I692-Y780 HydrophobicContact CG1-CD1 3.99Å; I692-Y780 HydrophobicContact CG1-CE1 3.84Å; Y780-V782 HydrophobicContact CD1-CG2 3.56Å; Y780-V782 HydrophobicContact CE1-CG2 3.62Å; Y780-F965 PolarHBondContact N-O 3.11Å; Y780-V966 HydrophobicContact CD1-CG1 4.48Å; Y780-V966 CarbonylContact O-C 3.53Å; Y780-V966 VanDerWaalsContact O-CA 3.31Å; Y780-V966 WeakPolarHBondContact O-CA 3.33Å; Y780-D967 PolarHBondContact O-N 3.2Å; Y780-I978 HydrophobicContact CD2-CG1 4.49Å |
| 781 | S | 70.4 | Confident | 64.3 | Low | 60 Ų | 60 | 59.9 Ų | 59.9 | 42% | 0.42 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 126.6 | 178.8 | -156.1 | 0 | 0 | 0 | 0 | 109.3 | D967 | S781-D967 CarbonylContact C-O 3.42Å; S781-D967 WeakPolarHBondContact CA-O 3.29Å |
| 782 | V | 66 | Low | 64.8 | Low | 9 Ų | 9 | 56.6 Ų | 56.6 | 6% | 0.055 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 127.6 | 177.7 | -169.9 | 0 | 0 | 0 | 0 | 108.7 | I688 I692 Y780 N784 V966 D967 F968 K969 | I688-V782 HydrophobicContact CD1-CG1 4.37Å; I688-V782 HydrophobicContact CG2-CG1 4.28Å; I688-V782 HydrophobicContact CG2-CG2 3.99Å; I692-V782 HydrophobicContact CD1-CG2 4.2Å; Y780-V782 HydrophobicContact CD1-CG2 3.56Å; Y780-V782 HydrophobicContact CE1-CG2 3.62Å; V782-N784 PolarHBondContact O-N 3.06Å; V782-V966 HydrophobicContact CG2-CG1 3.54Å; V782-D967 PolarHBondContact N-O 3.46Å; V782-F968 HydrophobicContact CB-CD1 3.86Å; V782-F968 HydrophobicContact CB-CE1 3.89Å; V782-F968 HydrophobicContact CG1-CD1 4.22Å; V782-F968 HydrophobicContact CG1-CE1 4.07Å; V782-F968 HydrophobicContact CG2-CE1 4.13Å; V782-F968 HydrophobicContact CG2-CZ 4.47Å; V782-F968 WeakPolarHBondContact O-CA 3.3Å; V782-K969 PolarHBondContact O-N 3.11Å; V782-K969 VanDerWaalsContact O-N 3.14Å |
| 783 | P | 60.4 | Low | 65.4 | Low | 53 Ų | 53 | 52.5 Ų | 52.5 | 34% | 0.344 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 126.9 | 170.6 | 25.5 | -31.8 | 0 | 0 | 0 | 109.5 | I785 D971 | P783-I785 WeakPolarHBondContact O-CG1 2.83Å; P783-I785 PolarHBondContact O-N 3.21Å; P783-D971 WeakPolarHBondContact CB-OD1 2.86Å |
| 784 | N | 60.5 | Low | 65.9 | Low | 22 Ų | 22 | 51.4 Ų | 51.4 | 12% | 0.118 | 26% | 0.261 | C | S | . | . | trans | -79.8 | 87.3 | -179.7 | -171.1 | -3.7 | 0 | 0 | 0 | 110 | V782 L786 N788 K969 | V782-N784 PolarHBondContact O-N 3.06Å; N784-L786 PolarHBondContact O-N 3.15Å; N784-L786 VanDerWaalsContact O-N 3.16Å; N784-N788 PolarHBondContact ND2-O 3.14Å; N784-K969 WeakPolarHBondContact CB-O 3.44Å; N784-K969 PolarHBondContact N-O 3.09Å | ||
| 785 | I | 55.7 | Low | 66.1 | Low | 87 Ų | 87 | 45 Ų | 45 | 45% | 0.446 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -20.5 | -171.8 | -54.7 | 174.5 | 0 | 0 | 0 | 112.7 | L682 P783 | L682-I785 HydrophobicContact CB-CD1 4.36Å; L682-I785 HydrophobicContact CD1-CD1 4.04Å; P783-I785 WeakPolarHBondContact O-CG1 2.83Å; P783-I785 PolarHBondContact O-N 3.21Å |
| 786 | L | 52.6 | Low | 66.3 | Low | 71 Ų | 71 | 43.9 Ų | 43.9 | 37% | 0.372 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 4.1 | -169.4 | -78 | 163.1 | 0 | 0 | 0 | 115.9 | S683 N784 N788 | S683-L786 VanDerWaalsContact CA-CD1 3.45Å; S683-L786 WeakPolarHBondContact OG-CD1 3.49Å; N784-L786 PolarHBondContact O-N 3.15Å; N784-L786 VanDerWaalsContact O-N 3.16Å; L786-N788 PolarHBondContact O-N 3.2Å |
| 787 | N | 51.3 | Low | 66.3 | Low | 121 Ų | 121 | 43.7 Ų | 43.7 | 65% | 0.647 | 22% | 0.221 | S | C | * | . | trans | 54.3 | 32.4 | -175.8 | -92.8 | -1.8 | 0 | 0 | 0 | 113.5 | ||||
| 788 | N | 50.4 | Low | 66.2 | Low | 82 Ų | 82 | 42.9 Ų | 42.9 | 44% | 0.439 | 22% | 0.217 | S | C | . | . | trans | -69.9 | 155.9 | 168 | -74.3 | -20.1 | 0 | 0 | 0 | 109.4 | N784 L786 K790 | N784-N788 PolarHBondContact ND2-O 3.14Å; L786-N788 PolarHBondContact O-N 3.2Å; N788-K790 PolarHBondContact O-N 3.34Å | ||
| 789 | E | 53.6 | Low | 66 | Low | 130 Ų | 130 | 42.8 Ų | 42.8 | 61% | 0.607 | 22% | 0.216 | S | C | * | . | trans | -44.7 | 142.3 | -179.1 | -74.1 | -169.2 | 161.6 | 0 | 0 | 111.7 | F791 Q861 | E789-F791 WeakPolarHBondContact O-CD1 2.98Å; E789-F791 VanDerWaalsContact O-CE1 3.28Å; E789-F791 WeakPolarHBondContact O-CE1 3.33Å; E789-F791 PolarHBondContact O-N 3.16Å; E789-Q861 PolarHBondContact OE2-NE2 3.4Å | ||
| 790 | K | 60.7 | Low | 66 | Low | 88 Ų | 88 | 40.5 Ų | 40.5 | 38% | 0.383 | 21% | 0.208 | S | C | . | . | trans | -67.5 | 122 | 179.5 | -61.4 | -176.9 | 179.9 | -172.9 | 0 | 109.1 | N788 Q861 L862 E970 | N788-K790 PolarHBondContact O-N 3.34Å; K790-Q861 WeakPolarHBondContact O-CA 3.35Å; K790-L862 HydrophobicContact CB-CB 3.57Å; K790-L862 HydrophobicContact CB-CD1 3.69Å; K790-L862 HydrophobicContact CB-CG 4.22Å; K790-L862 PolarHBondContact O-N 3.25Å; K790-E970 WeakPolarHBondContact CE-OE2 3.49Å; K790-E970 IonicContact NZ-OE2 3.72Å; K790-E970 PolarHBondContact NZ-OE2 3.05Å | ||
| 791 | F | 65.2 | Low | 65.9 | Low | 19 Ų | 19 | 42.1 Ų | 42.1 | 8% | 0.083 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 159.6 | 172.3 | 61.9 | -90.1 | 0 | 0 | 0 | 111.5 | P685 E789 S860 L862 F968 | P685-F791 HydrophobicContact CB-CD2 4.33Å; P685-F791 HydrophobicContact CB-CE1 4.24Å; P685-F791 HydrophobicContact CB-CE2 3.24Å; P685-F791 HydrophobicContact CB-CZ 3.25Å; P685-F791 HydrophobicContact CG-CE1 3.54Å; P685-F791 HydrophobicContact CG-CE2 3.52Å; P685-F791 HydrophobicContact CG-CZ 2.98Å; E789-F791 WeakPolarHBondContact O-CD1 2.98Å; E789-F791 VanDerWaalsContact O-CE1 3.28Å; E789-F791 WeakPolarHBondContact O-CE1 3.33Å; E789-F791 PolarHBondContact O-N 3.16Å; F791-S860 CarbonylContact C-O 3.59Å; F791-S860 WeakPolarHBondContact CA-O 3.41Å; F791-S860 VanDerWaalsContact CB-O 3.24Å; F791-S860 WeakPolarHBondContact CB-O 3.41Å; F791-L862 WeakPolarHBondContact O-CD1 3.25Å; F791-F968 AromaticContact CD2-CD2 3.91Å; F791-F968 HydrophobicContact CD2-CD2 3.91Å; F791-F968 HydrophobicContact CD2-CE2 4.23Å; F791-F968 HydrophobicContact CE2-CB 4.42Å; F791-F968 HydrophobicContact CE2-CD1 4.37Å; F791-F968 AromaticContact CE2-CD2 3.14Å; F791-F968 HydrophobicContact CE2-CD2 3.14Å; F791-F968 HydrophobicContact CE2-CE1 4.48Å; F791-F968 AromaticContact CE2-CE2 3.3Å; F791-F968 HydrophobicContact CE2-CE2 3.3Å; F791-F968 AromaticContact CE2-CG 3.73Å; F791-F968 HydrophobicContact CE2-CG 3.73Å; F791-F968 AromaticContact CE2-CZ 3.98Å; F791-F968 HydrophobicContact CE2-CZ 3.98Å; F791-F968 HydrophobicContact CZ-CB 4.13Å; F791-F968 AromaticContact CZ-CD1 4Å; F791-F968 HydrophobicContact CZ-CD1 4Å; F791-F968 AromaticContact CZ-CD2 3.56Å; F791-F968 HydrophobicContact CZ-CD2 3.56Å; F791-F968 HydrophobicContact CZ-CE1 4.29Å; F791-F968 AromaticContact CZ-CE2 3.9Å; F791-F968 HydrophobicContact CZ-CE2 3.9Å; F791-F968 AromaticContact CZ-CG 3.6Å; F791-F968 HydrophobicContact CZ-CG 3.6Å; F791-F968 HydrophobicContact CZ-CZ 4.23Å; F791-F968 WeakPolarHBondContact O-CD2 3.33Å |
| 792 | H | 70.1 | Confident | 65.6 | Low | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.028 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 143.7 | 168.1 | -57.8 | 113.2 | 0 | 0 | 0 | 108.9 | S860 L862 K867 F965 D967 | H792-S860 PolarHBondContact N-O 3.11Å; H792-S860 PolarHBondContact O-N 3.17Å; H792-L862 WeakPolarHBondContact CE1-CD2 3.29Å; H792-L862 WeakPolarHBondContact CE1-CG 3.33Å; H792-L862 WeakPolarHBondContact NE2-CD2 3.4Å; H792-L862 WeakPolarHBondContact NE2-CG 3.34Å; H792-K867 VanDerWaalsContact NE2-CE 3.33Å; H792-K867 WeakPolarHBondContact NE2-CE 3.05Å; H792-F965 HydrophobicContact CB-CE1 3.67Å; H792-F965 HydrophobicContact CB-CZ 4.15Å; H792-F965 AromaticContact CD2-CE1 3.48Å; H792-F965 VanDerWaalsContact CD2-CE1 3.48Å; H792-F965 WeakPolarHBondContact CD2-CE1 3.4Å; H792-F965 AromaticContact CG-CE1 3.67Å; H792-D967 IonicContact CD2-OD1 2.86Å; H792-D967 PolarHBondContact CD2-OD1 3.03Å; H792-D967 IonicContact NE2-OD1 2.93Å; H792-D967 PolarHBondContact NE2-OD1 3.14Å |
| 793 | Q | 72.3 | Confident | 65.7 | Low | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.019 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 132.2 | 166.4 | -177.3 | 162.3 | 22.5 | 0 | 0 | 109.9 | P685 N686 A689 I795 L858 N859 V966 F968 | P685-Q793 PolarHBondContact O-OE1 3.28Å; N686-Q793 PolarHBondContact OD1-NE2 2.9Å; N686-Q793 VanDerWaalsContact OD1-NE2 3.16Å; A689-Q793 HydrophobicContact CB-CG 4.2Å; Q793-I795 HydrophobicContact CG-CG1 4.25Å; Q793-L858 CarbonylContact C-O 3.47Å; Q793-L858 WeakPolarHBondContact CA-O 3.39Å; Q793-N859 WeakPolarHBondContact CB-OD1 3.49Å; Q793-N859 WeakPolarHBondContact CG-OD1 3.28Å; Q793-N859 PolarHBondContact NE2-OD1 2.93Å; Q793-V966 HydrophobicContact CB-CB 4.29Å; Q793-V966 PolarHBondContact N-O 3.46Å; Q793-V966 PolarHBondContact O-N 2.67Å; Q793-F968 HydrophobicContact CB-CE2 4.29Å |
| 794 | I | 75.9 | Confident | 66.4 | Low | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 127.8 | -179.9 | -51 | 171.4 | 0 | 0 | 0 | 107.8 | S857 L858 L870 I874 T963 I964 F965 | I794-S857 CarbonylContact O-C 3.58Å; I794-S857 WeakPolarHBondContact O-CA 3.45Å; I794-L858 HydrophobicContact CB-CB 4.44Å; I794-L858 PolarHBondContact N-O 3.07Å; I794-L858 PolarHBondContact O-N 2.84Å; I794-L870 HydrophobicContact CD1-CB 3.35Å; I794-L870 HydrophobicContact CD1-CD1 3.65Å; I794-L870 HydrophobicContact CD1-CG 4.06Å; I794-I874 HydrophobicContact CB-CD1 4.25Å; I794-I874 HydrophobicContact CD1-CD1 4.16Å; I794-I874 HydrophobicContact CG2-CD1 3.57Å; I794-T963 HydrophobicContact CG2-CG2 3.85Å; I794-I964 WeakPolarHBondContact CA-O 3.45Å; I794-F965 HydrophobicContact CD1-CD2 4.11Å; I794-F965 HydrophobicContact CD1-CE2 3.29Å; I794-F965 HydrophobicContact CD1-CZ 3.6Å; I794-F965 HydrophobicContact CG1-CD2 3.78Å; I794-F965 HydrophobicContact CG1-CE1 4.28Å; I794-F965 HydrophobicContact CG1-CE2 3.41Å; I794-F965 VanDerWaalsContact CG1-CE2 3.41Å; I794-F965 HydrophobicContact CG1-CG 4.36Å; I794-F965 HydrophobicContact CG1-CZ 3.66Å; I794-F965 HydrophobicContact CG2-CD2 4.3Å; I794-F965 HydrophobicContact CG2-CE2 4.49Å |
| 795 | I | 73.7 | Confident | 67 | Low | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 115.4 | 176.5 | -38.9 | 177.7 | 0 | 0 | 0 | 108.1 | A689 Q793 F797 R855 L856 T963 I964 | A689-I795 HydrophobicContact CB-CD1 3.65Å; Q793-I795 HydrophobicContact CG-CG1 4.25Å; I795-F797 HydrophobicContact CB-CE2 3.82Å; I795-F797 HydrophobicContact CB-CZ 4.25Å; I795-F797 HydrophobicContact CG2-CD2 4.21Å; I795-F797 HydrophobicContact CG2-CE1 4.27Å; I795-F797 HydrophobicContact CG2-CE2 3.31Å; I795-F797 HydrophobicContact CG2-CZ 3.34Å; I795-R855 HydrophobicContact CG2-CG 3.69Å; I795-L856 CarbonylContact C-O 3.57Å; I795-L856 WeakPolarHBondContact CA-O 3.4Å; I795-T963 CarbonylContact O-C 3.55Å; I795-T963 WeakPolarHBondContact O-CA 3.46Å; I795-I964 HydrophobicContact CB-CB 4.49Å; I795-I964 PolarHBondContact N-O 3.07Å; I795-I964 PolarHBondContact O-N 3.1Å |
| 796 | Q | 79.1 | Confident | 68.1 | Low | 9 Ų | 9 | 45.3 Ų | 45.3 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 134.4 | 173.1 | -176.6 | 168.5 | 54 | 0 | 0 | 110.2 | E798 R855 L856 I962 T963 | Q796-E798 PolarHBondContact OE1-OE1 2.96Å; Q796-R855 WeakPolarHBondContact O-CA 3.4Å; Q796-L856 PolarHBondContact N-O 3.37Å; Q796-L856 PolarHBondContact O-N 3.11Å; Q796-I962 CarbonylContact C-O 3.47Å; Q796-I962 WeakPolarHBondContact CA-O 3.37Å; Q796-T963 PolarHBondContact NE2-OG1 2.78Å |
| 797 | F | 76.3 | Confident | 69.5 | Low | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.3 | 176.1 | -61.2 | -92.9 | 0 | 0 | 0 | 109.3 | N693 W697 I795 Y841 R855 K961 I962 I964 | N693-F797 WeakPolarHBondContact OD1-CE1 3.48Å; N693-F797 WeakPolarHBondContact OD1-CZ 3.49Å; W697-F797 HydrophobicContact CZ2-CB 4.36Å; W697-F797 AromaticContact CZ2-CD1 3.86Å; W697-F797 HydrophobicContact CZ2-CD1 3.86Å; W697-F797 HydrophobicContact CZ2-CD2 4.31Å; W697-F797 HydrophobicContact CZ2-CE1 4.25Å; W697-F797 AromaticContact CZ2-CG 3.91Å; W697-F797 HydrophobicContact CZ2-CG 3.91Å; W697-F797 AromaticContact NE1-CE1 3.87Å; I795-F797 HydrophobicContact CB-CE2 3.82Å; I795-F797 HydrophobicContact CB-CZ 4.25Å; I795-F797 HydrophobicContact CG2-CD2 4.21Å; I795-F797 HydrophobicContact CG2-CE1 4.27Å; I795-F797 HydrophobicContact CG2-CE2 3.31Å; I795-F797 HydrophobicContact CG2-CZ 3.34Å; F797-Y841 HydrophobicContact CB-CE1 4.36Å; F797-Y841 HydrophobicContact CD1-CD1 4.21Å; F797-Y841 AromaticContact CD1-CE1 3.64Å; F797-Y841 HydrophobicContact CD1-CE1 3.64Å; F797-Y841 HydrophobicContact CD1-CE2 4.32Å; F797-Y841 AromaticContact CD1-CZ 3.72Å; F797-Y841 HydrophobicContact CG-CE1 4.49Å; F797-R855 HydrophobicContact CD1-CB 4.25Å; F797-R855 HydrophobicContact CD1-CG 4.4Å; F797-R855 HydrophobicContact CE1-CB 4.17Å; F797-R855 HydrophobicContact CE1-CG 3.94Å; F797-R855 HydrophobicContact CZ-CG 4.25Å; F797-K961 WeakPolarHBondContact O-CA 3.38Å; F797-I962 HydrophobicContact CB-CB 4.37Å; F797-I962 PolarHBondContact N-O 3.14Å; F797-I962 PolarHBondContact O-N 3.44Å; F797-I964 HydrophobicContact CD2-CD1 4.29Å; F797-I964 HydrophobicContact CE2-CD1 3.59Å; F797-I964 HydrophobicContact CE2-CG1 4.21Å; F797-I964 HydrophobicContact CZ-CD1 4.42Å |
| 798 | E | 75.1 | Confident | 70.9 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 102.7 | 164.2 | -71.1 | 84.6 | -154.8 | 0 | 0 | 110.3 | Q796 G853 T854 W878 Y955 K961 | Q796-E798 PolarHBondContact OE1-OE1 2.96Å; E798-G853 WeakPolarHBondContact O-CA 3.41Å; E798-T854 PolarHBondContact N-O 3.48Å; E798-T854 VanDerWaalsContact OE2-O 3.05Å; E798-W878 WeakPolarHBondContact OE1-CZ2 3.31Å; E798-W878 PolarHBondContact OE1-NE1 2.62Å; E798-W878 VanDerWaalsContact OE1-NE1 3.12Å; E798-W878 VanDerWaalsContact OE2-CZ2 3.26Å; E798-W878 WeakPolarHBondContact OE2-CZ2 3.21Å; E798-Y955 HydrophobicContact CB-CD1 4.05Å; E798-Y955 HydrophobicContact CB-CE1 3.92Å; E798-Y955 HydrophobicContact CG-CD1 3.59Å; E798-Y955 HydrophobicContact CG-CE1 3.89Å; E798-Y955 HydrophobicContact CG-CG 4.33Å; E798-K961 HydrophobicContact CG-CG 4.46Å |
| 799 | R | 71.7 | Confident | 72.5 | Confident | 28 Ų | 28 | 34.8 Ų | 34.8 | 11% | 0.106 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 136.7 | -173.7 | -170.9 | -179.3 | 87.9 | -171.6 | 7.5 | 113 | L773 E801 I851 K960 | L773-R799 PolarHBondContact O-NH1 2.9Å; R799-E801 HydrophobicContact CG-CG 4.32Å; R799-E801 IonicContact CZ-OE1 3.7Å; R799-E801 IonicContact CZ-OE2 3.6Å; R799-E801 VanDerWaalsContact NE-CD 3.27Å; R799-E801 IonicContact NE-OE1 2.94Å; R799-E801 PolarHBondContact NE-OE1 2.94Å; R799-E801 VanDerWaalsContact NE-OE1 3.15Å; R799-E801 IonicContact NE-OE2 3.88Å; R799-E801 IonicContact NH1-OE1 2.62Å; R799-E801 IonicContact NH2-OE1 2.71Å; R799-E801 PolarHBondContact NH2-OE1 3.45Å; R799-E801 IonicContact NH2-OE2 2.73Å; R799-E801 PolarHBondContact NH2-OE2 3.22Å; R799-I851 HydrophobicContact CG-CG2 3.67Å; R799-K960 PolarHBondContact N-O 3.18Å; R799-K960 WeakPolarHBondContact O-CB 3.16Å; R799-K960 WeakPolarHBondContact O-CD 3.49Å |
| 800 | I | 73.8 | Confident | 74.1 | Confident | 6 Ų | 6 | 29.1 Ų | 29.1 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 118.3 | 169 | -45.8 | 179.2 | 0 | 0 | 0 | 109.4 | T803 C811 I851 I852 Y950 T954 | I800-T803 HydrophobicContact CB-CG2 4.25Å; I800-T803 HydrophobicContact CG2-CG2 3.98Å; I800-T803 VanDerWaalsContact O-CG2 3.31Å; I800-T803 WeakPolarHBondContact O-CG2 3.38Å; I800-C811 WeakPolarHBondContact CD1-SG 3.15Å; I800-I851 WeakPolarHBondContact O-CA 3.31Å; I800-I852 HydrophobicContact CB-CD1 4.48Å; I800-I852 HydrophobicContact CB-CG1 3.87Å; I800-I852 HydrophobicContact CD1-CD1 4.34Å; I800-I852 HydrophobicContact CD1-CG1 4.22Å; I800-I852 HydrophobicContact CG1-CG1 4.4Å; I800-I852 PolarHBondContact N-O 3.31Å; I800-I852 PolarHBondContact O-N 3.46Å; I800-Y950 HydrophobicContact CD1-CE1 4.38Å; I800-Y950 WeakPolarHBondContact CD1-OH 3.49Å; I800-T954 HydrophobicContact CD1-CG2 3.38Å; I800-T954 HydrophobicContact CG1-CG2 3.55Å |
| 801 | E | 68.9 | Low | 75.4 | Confident | 83 Ų | 83 | 24.9 Ų | 24.9 | 39% | 0.388 | 13% | 0.128 | S | C | . | . | trans | -96.8 | 154.7 | 175.8 | -67.1 | 172.9 | 148.9 | 0 | 0 | 110.4 | T772 R799 I851 | T772-E801 WeakPolarHBondContact CG2-OE1 3.35Å; R799-E801 HydrophobicContact CG-CG 4.32Å; R799-E801 IonicContact CZ-OE1 3.7Å; R799-E801 IonicContact CZ-OE2 3.6Å; R799-E801 VanDerWaalsContact NE-CD 3.27Å; R799-E801 IonicContact NE-OE1 2.94Å; R799-E801 PolarHBondContact NE-OE1 2.94Å; R799-E801 VanDerWaalsContact NE-OE1 3.15Å; R799-E801 IonicContact NE-OE2 3.88Å; R799-E801 IonicContact NH1-OE1 2.62Å; R799-E801 IonicContact NH2-OE1 2.71Å; R799-E801 PolarHBondContact NH2-OE1 3.45Å; R799-E801 IonicContact NH2-OE2 2.73Å; R799-E801 PolarHBondContact NH2-OE2 3.22Å; E801-I851 HydrophobicContact CG-CG1 4.42Å | ||
| 802 | Q | 64.5 | Low | 76.4 | Confident | 163 Ų | 163 | 25.6 Ų | 25.6 | 76% | 0.762 | 13% | 0.131 | S | C | * | . | S | Bend | trans | 55 | 70.2 | 179 | -63.9 | -179.6 | -7 | 0 | 0 | 113 | ||
| 803 | T | 67.2 | Low | 77.2 | Confident | 32 Ų | 32 | 25.3 Ų | 25.3 | 20% | 0.196 | 13% | 0.13 | C | C | . | . | trans | -95.3 | 132.4 | -161.8 | 44.6 | 0 | 0 | 0 | 0 | 112.7 | I800 S850 I852 | I800-T803 HydrophobicContact CB-CG2 4.25Å; I800-T803 HydrophobicContact CG2-CG2 3.98Å; I800-T803 VanDerWaalsContact O-CG2 3.31Å; I800-T803 WeakPolarHBondContact O-CG2 3.38Å; T803-S850 VanDerWaalsContact CG2-O 3.3Å; T803-S850 WeakPolarHBondContact CG2-O 3.36Å; T803-S850 PolarHBondContact OG1-O 3.41Å; T803-S850 PolarHBondContact OG1-OG 3.49Å; T803-I852 HydrophobicContact CG2-CB 4.3Å; T803-I852 HydrophobicContact CG2-CD1 3.59Å; T803-I852 HydrophobicContact CG2-CG1 3.5Å; T803-I852 VanDerWaalsContact CG2-CG1 3.5Å; T803-I852 HydrophobicContact CG2-CG2 4.17Å | ||
| 804 | S | 75.9 | Confident | 78.1 | Confident | 44 Ų | 44 | 25.1 Ų | 25.1 | 31% | 0.308 | 13% | 0.129 | S | C | . | . | trans | -84.9 | 160.3 | 166.8 | 74.7 | 0 | 0 | 0 | 0 | 110.8 | V806 D807 E808 | S804-V806 PolarHBondContact O-N 3.17Å; S804-V806 VanDerWaalsContact O-N 3.12Å; S804-V806 PolarHBondContact OG-N 2.62Å; S804-D807 VanDerWaalsContact CB-OD2 3.31Å; S804-D807 WeakPolarHBondContact CB-OD2 3.5Å; S804-D807 PolarHBondContact N-OD2 3.12Å; S804-D807 PolarHBondContact O-N 3.04Å; S804-D807 VanDerWaalsContact O-N 3.16Å; S804-D807 PolarHBondContact OG-N 2.9Å; S804-D807 PolarHBondContact OG-OD2 2.99Å; S804-E808 PolarHBondContact O-N 3.3Å | ||
| 805 | P | 73.3 | Confident | 78.7 | Confident | 42 Ų | 42 | 25.1 Ų | 25.1 | 27% | 0.273 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -51.4 | -30.6 | 169.2 | -30.8 | 37.8 | 0 | 0 | 0 | 114.7 | F809 M937 | P805-F809 PolarHBondContact O-N 3.36Å; P805-M937 HydrophobicContact CB-CE 4Å; P805-M937 HydrophobicContact CG-CE 4.46Å |
| 806 | V | 79.3 | Confident | 79.3 | Confident | 17 Ų | 17 | 29.3 Ų | 29.3 | 10% | 0.103 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -73.9 | -41.5 | -178.7 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | S804 E808 F809 Y810 M937 L938 E941 | S804-V806 PolarHBondContact O-N 3.17Å; S804-V806 VanDerWaalsContact O-N 3.12Å; S804-V806 PolarHBondContact OG-N 2.62Å; V806-E808 VanDerWaalsContact C-N 3.33Å; V806-E808 PolarHBondContact O-N 3.21Å; V806-F809 PolarHBondContact O-N 3.37Å; V806-F809 VanDerWaalsContact O-N 3.13Å; V806-Y810 HydrophobicContact CG1-CD2 3.81Å; V806-Y810 HydrophobicContact CG1-CE2 3.45Å; V806-Y810 VanDerWaalsContact CG1-CE2 3.45Å; V806-Y810 PolarHBondContact O-N 2.86Å; V806-M937 HydrophobicContact CG2-CE 4.2Å; V806-L938 HydrophobicContact CG2-CD2 4.12Å; V806-E941 WeakPolarHBondContact CG2-OE2 3.14Å |
| 807 | D | 81.8 | Confident | 79.7 | Confident | 37 Ų | 37 | 29.2 Ų | 29.2 | 20% | 0.198 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.9 | -43.7 | 177.7 | -57.9 | -47 | 0 | 0 | 0 | 111.1 | S804 F809 Y810 C811 I852 Y950 | S804-D807 VanDerWaalsContact CB-OD2 3.31Å; S804-D807 WeakPolarHBondContact CB-OD2 3.5Å; S804-D807 PolarHBondContact N-OD2 3.12Å; S804-D807 PolarHBondContact O-N 3.04Å; S804-D807 VanDerWaalsContact O-N 3.16Å; S804-D807 PolarHBondContact OG-N 2.9Å; S804-D807 PolarHBondContact OG-OD2 2.99Å; D807-F809 VanDerWaalsContact C-N 3.25Å; D807-F809 PolarHBondContact O-N 3.24Å; D807-Y810 PolarHBondContact O-N 3Å; D807-C811 PolarHBondContact O-N 3.46Å; D807-C811 PolarHBondContact O-SG 3.38Å; D807-I852 VanDerWaalsContact C-CD1 3.43Å; D807-I852 HydrophobicContact CB-CD1 3.82Å; D807-Y950 WeakPolarHBondContact CA-OH 3.36Å; D807-Y950 HydrophobicContact CB-CE2 4.21Å; D807-Y950 WeakPolarHBondContact CB-OH 3.47Å; D807-Y950 PolarHBondContact O-OH 3.49Å; D807-Y950 VanDerWaalsContact O-OH 3.07Å; D807-Y950 VanDerWaalsContact OD1-CE2 3.23Å; D807-Y950 WeakPolarHBondContact OD1-CE2 3.47Å |
| 808 | E | 81 | Confident | 80.3 | Confident | 13 Ų | 13 | 29.1 Ų | 29.1 | 6% | 0.061 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.9 | -43.8 | 174.6 | -176.4 | 173.3 | 164 | 0 | 0 | 111.5 | S804 V806 K812 F840 K842 I852 R934 | S804-E808 PolarHBondContact O-N 3.3Å; V806-E808 VanDerWaalsContact C-N 3.33Å; V806-E808 PolarHBondContact O-N 3.21Å; E808-K812 HydrophobicContact CG-CD 4.44Å; E808-K812 WeakPolarHBondContact O-CG 3.12Å; E808-K812 PolarHBondContact O-N 2.86Å; E808-K812 VanDerWaalsContact O-N 3.08Å; E808-K812 WeakPolarHBondContact OE1-CE 3.43Å; E808-K812 IonicContact OE1-NZ 2.7Å; E808-K812 PolarHBondContact OE1-NZ 2.96Å; E808-F840 HydrophobicContact CG-CE2 4.17Å; E808-F840 HydrophobicContact CG-CZ 3.71Å; E808-K842 IonicContact OE1-NZ 3Å; E808-K842 IonicContact OE2-NZ 3.72Å; E808-K842 PolarHBondContact OE2-NZ 3.17Å; E808-I852 VanDerWaalsContact CA-CD1 3.45Å; E808-I852 HydrophobicContact CB-CD1 4.17Å; E808-I852 VanDerWaalsContact N-CD1 3.3Å; E808-R934 IonicContact OE2-NH2 2.62Å |
| 809 | F | 82.4 | Confident | 80.8 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.009 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -72.6 | -40.6 | -176.9 | -141.7 | -89 | 0 | 0 | 0 | 112.7 | P805 V806 D807 C811 K812 I813 I901 I902 L938 M942 | P805-F809 PolarHBondContact O-N 3.36Å; V806-F809 PolarHBondContact O-N 3.37Å; V806-F809 VanDerWaalsContact O-N 3.13Å; D807-F809 VanDerWaalsContact C-N 3.25Å; D807-F809 PolarHBondContact O-N 3.24Å; F809-C811 VanDerWaalsContact C-N 3.35Å; F809-C811 PolarHBondContact O-N 3.46Å; F809-K812 PolarHBondContact O-N 2.89Å; F809-I813 HydrophobicContact CD1-CD1 3.74Å; F809-I813 HydrophobicContact CD1-CG1 4.15Å; F809-I813 HydrophobicContact CE1-CD1 4.14Å; F809-I813 HydrophobicContact CE1-CG1 4.36Å; F809-I813 WeakPolarHBondContact O-CG1 3.28Å; F809-I813 PolarHBondContact O-N 2.99Å; F809-I901 HydrophobicContact CD2-CG2 4.29Å; F809-I901 HydrophobicContact CE1-CB 4.06Å; F809-I901 HydrophobicContact CE1-CG2 3.9Å; F809-I901 HydrophobicContact CE2-CB 4.39Å; F809-I901 HydrophobicContact CE2-CG2 3.55Å; F809-I901 HydrophobicContact CZ-CB 3.65Å; F809-I901 HydrophobicContact CZ-CG2 3.29Å; F809-I902 HydrophobicContact CE1-CG1 4.14Å; F809-I902 HydrophobicContact CE2-CG1 4.18Å; F809-I902 HydrophobicContact CZ-CB 4.33Å; F809-I902 HydrophobicContact CZ-CD1 4.48Å; F809-I902 HydrophobicContact CZ-CG1 3.44Å; F809-I902 VanDerWaalsContact CZ-CG1 3.44Å; F809-L938 HydrophobicContact CB-CD2 4.09Å; F809-L938 HydrophobicContact CD2-CD1 3.53Å; F809-L938 HydrophobicContact CD2-CD2 4.43Å; F809-L938 HydrophobicContact CE2-CD1 3.84Å; F809-L938 HydrophobicContact CG-CD1 4.14Å; F809-L938 HydrophobicContact CG-CD2 4.31Å; F809-M942 HydrophobicContact CB-CE 3.42Å; F809-M942 VanDerWaalsContact CB-CE 3.42Å; F809-M942 HydrophobicContact CD1-CE 3.23Å; F809-M942 HydrophobicContact CD1-SD 3.37Å; F809-M942 WeakPolarHBondContact CD1-SD 3.4Å; F809-M942 HydrophobicContact CD2-CE 4.3Å; F809-M942 HydrophobicContact CE1-CE 4.07Å; F809-M942 HydrophobicContact CE1-SD 3.86Å; F809-M942 HydrophobicContact CG-CE 3.37Å; F809-M942 HydrophobicContact CG-SD 4.15Å |
| 810 | Y | 87.3 | Confident | 81.1 | Confident | 11 Ų | 11 | 35.6 Ų | 35.6 | 4% | 0.043 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -40.9 | 174.1 | -74.9 | -36.7 | 0 | 0 | 0 | 112.3 | V806 D807 K812 I813 I814 E941 M942 K946 L947 Y950 | V806-Y810 HydrophobicContact CG1-CD2 3.81Å; V806-Y810 HydrophobicContact CG1-CE2 3.45Å; V806-Y810 VanDerWaalsContact CG1-CE2 3.45Å; V806-Y810 PolarHBondContact O-N 2.86Å; D807-Y810 PolarHBondContact O-N 3Å; Y810-K812 VanDerWaalsContact C-N 3.35Å; Y810-K812 PolarHBondContact O-N 2.8Å; Y810-I813 HydrophobicContact CD1-CD1 4.35Å; Y810-I813 PolarHBondContact O-N 2.85Å; Y810-I814 WeakPolarHBondContact O-CB 3.41Å; Y810-I814 VanDerWaalsContact O-CG1 3.3Å; Y810-I814 WeakPolarHBondContact O-CG1 3.09Å; Y810-I814 PolarHBondContact O-N 2.99Å; Y810-E941 PolarHBondContact OH-O 3.14Å; Y810-M942 HydrophobicContact CE1-CG 3.94Å; Y810-K946 WeakPolarHBondContact OH-CB 3.5Å; Y810-L947 HydrophobicContact CD1-CB 4.28Å; Y810-L947 HydrophobicContact CD1-CD1 3.36Å; Y810-L947 HydrophobicContact CD1-CG 4.45Å; Y810-L947 HydrophobicContact CE1-CB 4.17Å; Y810-L947 HydrophobicContact CE1-CD1 4.08Å; Y810-L947 HydrophobicContact CG-CD1 4Å; Y810-Y950 VanDerWaalsContact CB-CE1 3.48Å; Y810-Y950 HydrophobicContact CD2-CD1 4.08Å; Y810-Y950 AromaticContact CD2-CD2 3.84Å; Y810-Y950 HydrophobicContact CD2-CD2 3.84Å; Y810-Y950 HydrophobicContact CD2-CE1 4.46Å; Y810-Y950 HydrophobicContact CD2-CE2 4.27Å; Y810-Y950 AromaticContact CD2-CG 3.71Å; Y810-Y950 HydrophobicContact CD2-CG 3.71Å; Y810-Y950 HydrophobicContact CE2-CG 4.47Å; Y810-Y950 HydrophobicContact CG-CD1 4.1Å; Y810-Y950 HydrophobicContact CG-CE1 4.41Å; Y810-Y950 HydrophobicContact CG-CG 4.18Å |
| 811 | C | 88.2 | Confident | 81.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 173.3 | -73.3 | 0 | 0 | 0 | 0 | 111.8 | I800 D807 F809 I813 I814 T815 F840 Y950 Y955 | I800-C811 WeakPolarHBondContact CD1-SG 3.15Å; D807-C811 PolarHBondContact O-N 3.46Å; D807-C811 PolarHBondContact O-SG 3.38Å; F809-C811 VanDerWaalsContact C-N 3.35Å; F809-C811 PolarHBondContact O-N 3.46Å; C811-I813 PolarHBondContact O-N 2.97Å; C811-I814 PolarHBondContact O-N 3.15Å; C811-T815 WeakPolarHBondContact O-CB 3.44Å; C811-T815 PolarHBondContact O-N 2.92Å; C811-T815 PolarHBondContact O-OG1 3.04Å; C811-F840 HydrophobicContact CB-CD2 3.92Å; C811-F840 HydrophobicContact CB-CE2 3.96Å; C811-Y950 PolarHBondContact SG-OH 3.12Å; C811-Y950 VanDerWaalsContact SG-OH 3.34Å; C811-Y955 PolarHBondContact SG-OH 2.65Å |
| 812 | K | 86.1 | Confident | 82.5 | Confident | 34 Ų | 34 | 34 Ų | 34 | 15% | 0.148 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.1 | -42.9 | 175.6 | -74 | 171 | 176.8 | 160.4 | 0 | 112.3 | E808 F809 Y810 E816 F840 I901 E905 | E808-K812 HydrophobicContact CG-CD 4.44Å; E808-K812 WeakPolarHBondContact O-CG 3.12Å; E808-K812 PolarHBondContact O-N 2.86Å; E808-K812 VanDerWaalsContact O-N 3.08Å; E808-K812 WeakPolarHBondContact OE1-CE 3.43Å; E808-K812 IonicContact OE1-NZ 2.7Å; E808-K812 PolarHBondContact OE1-NZ 2.96Å; F809-K812 PolarHBondContact O-N 2.89Å; Y810-K812 VanDerWaalsContact C-N 3.35Å; Y810-K812 PolarHBondContact O-N 2.8Å; K812-E816 WeakPolarHBondContact O-CB 3.31Å; K812-E816 PolarHBondContact O-N 3.13Å; K812-F840 HydrophobicContact CG-CB 4.44Å; K812-F840 HydrophobicContact CG-CD1 4.15Å; K812-F840 HydrophobicContact CG-CD2 3.86Å; K812-F840 HydrophobicContact CG-CE1 4.42Å; K812-F840 HydrophobicContact CG-CE2 4.15Å; K812-F840 HydrophobicContact CG-CG 3.87Å; K812-F840 HydrophobicContact CG-CZ 4.44Å; K812-I901 HydrophobicContact CB-CD1 3.96Å; K812-I901 HydrophobicContact CB-CG2 4.07Å; K812-I901 HydrophobicContact CD-CG2 3.86Å; K812-E905 IonicContact NZ-OE1 4Å; K812-E905 PolarHBondContact NZ-OE1 3.44Å |
| 813 | I | 87.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.9 | -48 | 177.1 | -67.6 | 164.8 | 0 | 0 | 0 | 110.8 | F809 Y810 C811 T815 E816 L817 F894 I897 C898 I901 M942 L947 | F809-I813 HydrophobicContact CD1-CD1 3.74Å; F809-I813 HydrophobicContact CD1-CG1 4.15Å; F809-I813 HydrophobicContact CE1-CD1 4.14Å; F809-I813 HydrophobicContact CE1-CG1 4.36Å; F809-I813 WeakPolarHBondContact O-CG1 3.28Å; F809-I813 PolarHBondContact O-N 2.99Å; Y810-I813 HydrophobicContact CD1-CD1 4.35Å; Y810-I813 PolarHBondContact O-N 2.85Å; C811-I813 PolarHBondContact O-N 2.97Å; I813-T815 PolarHBondContact O-N 2.84Å; I813-E816 PolarHBondContact O-N 3.17Å; I813-L817 VanDerWaalsContact O-CB 3.25Å; I813-L817 WeakPolarHBondContact O-CB 3.04Å; I813-L817 PolarHBondContact O-N 3.04Å; I813-F894 HydrophobicContact CD1-CE2 4.01Å; I813-F894 HydrophobicContact CD1-CZ 4.43Å; I813-F894 HydrophobicContact CG2-CD2 4.42Å; I813-F894 HydrophobicContact CG2-CE2 4.22Å; I813-I897 HydrophobicContact CB-CG2 4.39Å; I813-I897 HydrophobicContact CG1-CG2 4.25Å; I813-I897 HydrophobicContact CG2-CG2 4.08Å; I813-C898 VanDerWaalsContact CD1-SG 3.6Å; I813-I901 HydrophobicContact CB-CD1 4.23Å; I813-I901 HydrophobicContact CG1-CD1 3.54Å; I813-M942 HydrophobicContact CD1-SD 4.13Å; I813-L947 HydrophobicContact CB-CD1 4.09Å; I813-L947 HydrophobicContact CG2-CD1 3.88Å; I813-L947 HydrophobicContact CG2-CD2 3.75Å |
| 814 | I | 90.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.4 | -48 | 179.5 | -71.1 | 162.9 | 0 | 0 | 0 | 110.2 | Y810 C811 L818 W878 I886 L947 Y950 F951 Y955 | Y810-I814 WeakPolarHBondContact O-CB 3.41Å; Y810-I814 VanDerWaalsContact O-CG1 3.3Å; Y810-I814 WeakPolarHBondContact O-CG1 3.09Å; Y810-I814 PolarHBondContact O-N 2.99Å; C811-I814 PolarHBondContact O-N 3.15Å; I814-L818 HydrophobicContact CG2-CD1 3.64Å; I814-L818 HydrophobicContact CG2-CG 4.4Å; I814-L818 VanDerWaalsContact O-CB 3.26Å; I814-L818 WeakPolarHBondContact O-CB 3.38Å; I814-L818 VanDerWaalsContact O-CG 3.27Å; I814-L818 WeakPolarHBondContact O-CG 3.44Å; I814-L818 PolarHBondContact O-N 2.76Å; I814-W878 HydrophobicContact CG2-CZ3 4.5Å; I814-I886 HydrophobicContact CG1-CD1 4.48Å; I814-L947 HydrophobicContact CD1-CD1 4.26Å; I814-L947 HydrophobicContact CG1-CD1 3.95Å; I814-L947 HydrophobicContact CG1-CG 4.48Å; I814-Y950 HydrophobicContact CD1-CD1 3.88Å; I814-Y950 HydrophobicContact CD1-CE1 4.14Å; I814-F951 HydrophobicContact CD1-CB 4.27Å; I814-F951 HydrophobicContact CD1-CD2 3.97Å; I814-F951 HydrophobicContact CG1-CD2 4.32Å; I814-F951 HydrophobicContact CG2-CD2 4.1Å; I814-F951 HydrophobicContact CG2-CE2 4.22Å; I814-Y955 HydrophobicContact CD1-CD2 3.94Å; I814-Y955 HydrophobicContact CD1-CE2 3.48Å; I814-Y955 VanDerWaalsContact CD1-CE2 3.48Å; I814-Y955 HydrophobicContact CG2-CD1 4.42Å; I814-Y955 HydrophobicContact CG2-CE1 3.88Å; I814-Y955 HydrophobicContact CG2-CE2 4.28Å |
| 815 | T | 90 | Very high | 84.1 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.6 | -52.3 | 176.8 | -63.4 | 0 | 0 | 0 | 0 | 110.7 | C811 I813 L817 L818 K819 L838 D839 F840 T854 | C811-T815 WeakPolarHBondContact O-CB 3.44Å; C811-T815 PolarHBondContact O-N 2.92Å; C811-T815 PolarHBondContact O-OG1 3.04Å; I813-T815 PolarHBondContact O-N 2.84Å; T815-L817 PolarHBondContact O-N 3.36Å; T815-L818 PolarHBondContact O-N 3.05Å; T815-K819 WeakPolarHBondContact O-CB 3.33Å; T815-K819 PolarHBondContact O-N 3.01Å; T815-L838 HydrophobicContact CG2-CD2 4.26Å; T815-L838 HydrophobicContact CG2-CG 4.43Å; T815-L838 VanDerWaalsContact O-CD2 3.23Å; T815-L838 WeakPolarHBondContact O-CD2 3.18Å; T815-D839 VanDerWaalsContact CG2-C 3.46Å; T815-F840 HydrophobicContact CG2-CB 4.33Å; T815-T854 HydrophobicContact CG2-CG2 4.48Å; T815-T854 WeakPolarHBondContact OG1-CG2 3.24Å; T815-T854 PolarHBondContact OG1-OG1 2.87Å |
| 816 | E | 85.1 | Confident | 84.4 | Confident | 91 Ų | 91 | 31.6 Ų | 31.6 | 43% | 0.425 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -71.2 | -32.8 | -172.2 | -151.5 | 59.3 | -175.4 | 0 | 0 | 113 | K812 I813 K819 | K812-E816 WeakPolarHBondContact O-CB 3.31Å; K812-E816 PolarHBondContact O-N 3.13Å; I813-E816 PolarHBondContact O-N 3.17Å; E816-K819 IonicContact OE1-NZ 3.26Å; E816-K819 PolarHBondContact OE1-NZ 2.89Å; E816-K819 IonicContact OE2-NZ 2.67Å; E816-K819 PolarHBondContact OE2-NZ 2.74Å |
| 817 | L | 87.9 | Confident | 84.1 | Confident | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.9 | -46.7 | 171.9 | 177.7 | 64.5 | 0 | 0 | 0 | 112.1 | I813 T815 K819 H821 V885 I886 M889 I897 | I813-L817 VanDerWaalsContact O-CB 3.25Å; I813-L817 WeakPolarHBondContact O-CB 3.04Å; I813-L817 PolarHBondContact O-N 3.04Å; T815-L817 PolarHBondContact O-N 3.36Å; L817-K819 VanDerWaalsContact C-N 3.34Å; L817-H821 PolarHBondContact O-ND1 3.13Å; L817-V885 HydrophobicContact CD1-CG1 4.21Å; L817-V885 HydrophobicContact CD2-CG1 4.19Å; L817-V885 HydrophobicContact CG-CG1 4.01Å; L817-I886 HydrophobicContact CD2-CB 4.44Å; L817-I886 HydrophobicContact CD2-CG1 3.78Å; L817-M889 HydrophobicContact CD1-SD 3.94Å; L817-M889 HydrophobicContact CD2-CE 4.24Å; L817-M889 HydrophobicContact CD2-SD 3.86Å; L817-M889 HydrophobicContact CG-SD 4.49Å; L817-I897 HydrophobicContact CB-CD1 3.97Å; L817-I897 HydrophobicContact CD1-CD1 3.79Å; L817-I897 HydrophobicContact CG-CD1 4.44Å |
| 818 | L | 90 | Very high | 83.4 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -82.9 | -11 | -172.3 | -66.9 | 179.9 | 0 | 0 | 0 | 113.3 | I814 T815 S820 H821 A822 L838 F877 W878 A882 V885 F951 | I814-L818 HydrophobicContact CG2-CD1 3.64Å; I814-L818 HydrophobicContact CG2-CG 4.4Å; I814-L818 VanDerWaalsContact O-CB 3.26Å; I814-L818 WeakPolarHBondContact O-CB 3.38Å; I814-L818 VanDerWaalsContact O-CG 3.27Å; I814-L818 WeakPolarHBondContact O-CG 3.44Å; I814-L818 PolarHBondContact O-N 2.76Å; T815-L818 PolarHBondContact O-N 3.05Å; L818-S820 PolarHBondContact O-N 2.95Å; L818-H821 PolarHBondContact O-N 3.15Å; L818-A822 VanDerWaalsContact O-CB 3.28Å; L818-A822 WeakPolarHBondContact O-CB 3.33Å; L818-A822 PolarHBondContact O-N 2.94Å; L818-L838 HydrophobicContact CB-CD2 3.65Å; L818-F877 HydrophobicContact CB-CZ 4.23Å; L818-W878 HydrophobicContact CD1-CE3 4.33Å; L818-W878 HydrophobicContact CD1-CH2 4.25Å; L818-W878 HydrophobicContact CD1-CZ3 3.55Å; L818-A882 HydrophobicContact CD1-CB 3.67Å; L818-A882 HydrophobicContact CD2-CB 3.89Å; L818-A882 HydrophobicContact CG-CB 4.47Å; L818-V885 HydrophobicContact CD2-CB 4.04Å; L818-V885 HydrophobicContact CD2-CG1 3.96Å; L818-F951 HydrophobicContact CD1-CE2 4.3Å |
| 819 | K | 85.3 | Confident | 82.5 | Confident | 91 Ų | 91 | 41 Ų | 41 | 40% | 0.396 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -57.8 | -50.3 | -175.2 | -158.8 | -177.3 | -146.1 | 159.4 | 0 | 113.4 | T815 E816 L817 K823 L838 | T815-K819 WeakPolarHBondContact O-CB 3.33Å; T815-K819 PolarHBondContact O-N 3.01Å; E816-K819 IonicContact OE1-NZ 3.26Å; E816-K819 PolarHBondContact OE1-NZ 2.89Å; E816-K819 IonicContact OE2-NZ 2.67Å; E816-K819 PolarHBondContact OE2-NZ 2.74Å; L817-K819 VanDerWaalsContact C-N 3.34Å; K819-K823 PolarHBondContact O-N 3.41Å; K819-L838 HydrophobicContact CB-CD2 4.39Å; K819-L838 HydrophobicContact CG-CB 4.47Å |
| 820 | S | 77.8 | Confident | 81.2 | Confident | 74 Ų | 74 | 43.7 Ų | 43.7 | 52% | 0.517 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.3 | -42.3 | 177.5 | 54.7 | 0 | 0 | 0 | 0 | 111.5 | L818 K823 Q824 | L818-S820 PolarHBondContact O-N 2.95Å; S820-K823 PolarHBondContact O-N 3.16Å; S820-Q824 WeakPolarHBondContact O-CB 3.35Å; S820-Q824 PolarHBondContact O-N 3.29Å |
| 821 | H | 85.1 | Confident | 79.4 | Confident | 54 Ų | 54 | 44 Ų | 44 | 25% | 0.25 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.4 | -41.2 | 179.3 | -63.4 | 87.6 | 0 | 0 | 0 | 112.6 | L817 L818 Q824 Y825 | L817-H821 PolarHBondContact O-ND1 3.13Å; L818-H821 PolarHBondContact O-N 3.15Å; H821-Q824 PolarHBondContact O-N 3.08Å; H821-Y825 WeakPolarHBondContact O-CB 3.49Å; H821-Y825 PolarHBondContact O-N 3.41Å |
| 822 | A | 85.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.9 | -49 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110 | L818 Q824 Y825 F826 V836 L838 F877 | L818-A822 VanDerWaalsContact O-CB 3.28Å; L818-A822 WeakPolarHBondContact O-CB 3.33Å; L818-A822 PolarHBondContact O-N 2.94Å; A822-Q824 VanDerWaalsContact C-N 3.31Å; A822-Q824 PolarHBondContact O-N 3.37Å; A822-Y825 PolarHBondContact O-N 2.67Å; A822-F826 HydrophobicContact CB-CD2 4.35Å; A822-F826 WeakPolarHBondContact O-CB 3.32Å; A822-F826 WeakPolarHBondContact O-CD2 3.44Å; A822-F826 PolarHBondContact O-N 3.26Å; A822-V836 HydrophobicContact CB-CG1 4.18Å; A822-L838 HydrophobicContact CB-CB 4.36Å; A822-F877 HydrophobicContact CB-CE1 4.35Å; A822-F877 HydrophobicContact CB-CE2 4.04Å; A822-F877 HydrophobicContact CB-CZ 3.69Å |
| 823 | K | 80.8 | Confident | 75.7 | Confident | 112 Ų | 112 | 51.1 Ų | 51.1 | 49% | 0.487 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.4 | -44.2 | 179 | -161.6 | 176.2 | -174.9 | -179.8 | 0 | 111.8 | K819 S820 Q827 | K819-K823 PolarHBondContact O-N 3.41Å; S820-K823 PolarHBondContact O-N 3.16Å; K823-Q827 WeakPolarHBondContact O-CB 3.34Å; K823-Q827 PolarHBondContact O-N 3.4Å; K823-Q827 VanDerWaalsContact O-N 3.08Å |
| 824 | Q | 78.2 | Confident | 74 | Confident | 102 Ų | 102 | 55.5 Ų | 55.5 | 48% | 0.477 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.4 | -39.2 | 178.4 | -160 | -171.8 | -1.5 | 0 | 0 | 112.1 | S820 H821 A822 Y998 | S820-Q824 WeakPolarHBondContact O-CB 3.35Å; S820-Q824 PolarHBondContact O-N 3.29Å; H821-Q824 PolarHBondContact O-N 3.08Å; A822-Q824 VanDerWaalsContact C-N 3.31Å; A822-Q824 PolarHBondContact O-N 3.37Å; Q824-Y998 WeakPolarHBondContact CB-OH 3.17Å; Q824-Y998 WeakPolarHBondContact CG-OH 3.48Å; Q824-Y998 PolarHBondContact O-OH 3.43Å; Q824-Y998 VanDerWaalsContact O-OH 3.07Å |
| 825 | Y | 82.6 | Confident | 72.8 | Confident | 15 Ų | 15 | 58.2 Ų | 58.2 | 6% | 0.059 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.3 | -39.8 | -178.8 | 176.5 | -102.1 | 0 | 0 | 0 | 111.1 | H821 A822 C873 F877 I881 Y998 | H821-Y825 WeakPolarHBondContact O-CB 3.49Å; H821-Y825 PolarHBondContact O-N 3.41Å; A822-Y825 PolarHBondContact O-N 2.67Å; Y825-C873 PolarHBondContact OH-O 2.88Å; Y825-F877 HydrophobicContact CD1-CB 4.06Å; Y825-F877 AromaticContact CD1-CD2 3.84Å; Y825-F877 HydrophobicContact CD1-CD2 3.84Å; Y825-F877 HydrophobicContact CD1-CG 4.32Å; Y825-F877 HydrophobicContact CE1-CB 3.83Å; Y825-F877 HydrophobicContact CE1-CD2 4.43Å; Y825-F877 HydrophobicContact CG-CD2 4.11Å; Y825-I881 HydrophobicContact CD2-CD1 4.28Å; Y825-I881 HydrophobicContact CD2-CG1 4.1Å; Y825-I881 HydrophobicContact CE2-CD1 4.17Å; Y825-I881 HydrophobicContact CE2-CG1 3.96Å; Y825-Y998 VanDerWaalsContact CA-OH 3.26Å; Y825-Y998 WeakPolarHBondContact CA-OH 3.4Å; Y825-Y998 HydrophobicContact CD2-CD2 4.5Å; Y825-Y998 HydrophobicContact CD2-CE2 4.2Å; Y825-Y998 PolarHBondContact N-OH 3.26Å |
| 826 | F | 80.6 | Confident | 72.2 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 1% | 0.013 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -92.6 | -0.8 | -175.8 | -67.2 | -72.7 | 0 | 0 | 0 | 114.5 | A822 H828 Y829 V836 L856 L858 C873 I874 F877 | A822-F826 HydrophobicContact CB-CD2 4.35Å; A822-F826 WeakPolarHBondContact O-CB 3.32Å; A822-F826 WeakPolarHBondContact O-CD2 3.44Å; A822-F826 PolarHBondContact O-N 3.26Å; F826-H828 PolarHBondContact O-N 2.88Å; F826-Y829 HydrophobicContact CB-CD2 4.11Å; F826-Y829 AromaticContact CD1-CD2 3.67Å; F826-Y829 HydrophobicContact CD1-CD2 3.67Å; F826-Y829 AromaticContact CD1-CE2 3.99Å; F826-Y829 HydrophobicContact CD1-CE2 3.99Å; F826-Y829 HydrophobicContact CG-CD2 4.35Å; F826-Y829 PolarHBondContact O-N 3.43Å; F826-V836 HydrophobicContact CB-CB 4.33Å; F826-V836 HydrophobicContact CB-CG1 4.24Å; F826-V836 HydrophobicContact CB-CG2 3.28Å; F826-V836 HydrophobicContact CD2-CG1 3.95Å; F826-V836 HydrophobicContact CG-CG1 4.46Å; F826-V836 HydrophobicContact CG-CG2 4.24Å; F826-L856 HydrophobicContact CE2-CD1 4.26Å; F826-L856 HydrophobicContact CE2-CD2 3.98Å; F826-L856 HydrophobicContact CZ-CD2 4.13Å; F826-L858 HydrophobicContact CB-CD2 3.91Å; F826-L858 HydrophobicContact CD1-CD1 4.19Å; F826-L858 HydrophobicContact CD1-CD2 3.89Å; F826-L858 HydrophobicContact CD2-CD2 3.85Å; F826-L858 HydrophobicContact CE1-CD1 3.92Å; F826-L858 HydrophobicContact CE1-CD2 4.37Å; F826-L858 HydrophobicContact CE2-CD2 4.34Å; F826-L858 HydrophobicContact CG-CD2 3.63Å; F826-L858 HydrophobicContact CZ-CD1 4.11Å; F826-C873 HydrophobicContact CE1-CB 4.25Å; F826-I874 HydrophobicContact CE1-CG1 4.26Å; F826-I874 HydrophobicContact CZ-CG1 4.23Å; F826-F877 HydrophobicContact CE2-CB 4.06Å; F826-F877 HydrophobicContact CE2-CD1 4.14Å; F826-F877 HydrophobicContact CE2-CD2 4.05Å; F826-F877 AromaticContact CE2-CG 3.8Å; F826-F877 HydrophobicContact CE2-CG 3.8Å; F826-F877 HydrophobicContact CZ-CB 3.71Å; F826-F877 HydrophobicContact CZ-CD1 4.46Å; F826-F877 AromaticContact CZ-CG 3.99Å; F826-F877 HydrophobicContact CZ-CG 3.99Å |
| 827 | Q | 73.2 | Confident | 71.9 | Confident | 115 Ų | 115 | 58.1 Ų | 58.1 | 54% | 0.537 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -52.4 | -33.4 | -177.3 | -168.2 | 174.5 | 5.2 | 0 | 0 | 113.6 | K823 Y829 | K823-Q827 WeakPolarHBondContact O-CB 3.34Å; K823-Q827 PolarHBondContact O-N 3.4Å; K823-Q827 VanDerWaalsContact O-N 3.08Å; Q827-Y829 VanDerWaalsContact C-N 3.3Å; Q827-Y829 PolarHBondContact O-N 3.21Å |
| 828 | H | 65.7 | Low | 71.9 | Confident | 132 Ų | 132 | 58 Ų | 58 | 61% | 0.611 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -75.6 | -15.4 | 179.4 | -65.6 | -55.9 | 0 | 0 | 0 | 114.6 | F826 | F826-H828 PolarHBondContact O-N 2.88Š|
| 829 | Y | 62.9 | Low | 71.6 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -98 | -2.9 | -179.6 | -47.1 | -68.9 | 0 | 0 | 0 | 112.6 | F826 Q827 H865 Y869 | F826-Y829 HydrophobicContact CB-CD2 4.11Å; F826-Y829 AromaticContact CD1-CD2 3.67Å; F826-Y829 HydrophobicContact CD1-CD2 3.67Å; F826-Y829 AromaticContact CD1-CE2 3.99Å; F826-Y829 HydrophobicContact CD1-CE2 3.99Å; F826-Y829 HydrophobicContact CG-CD2 4.35Å; F826-Y829 PolarHBondContact O-N 3.43Å; Q827-Y829 VanDerWaalsContact C-N 3.3Å; Q827-Y829 PolarHBondContact O-N 3.21Å; Y829-H865 AromaticContact CD1-CD2 3.8Å; Y829-H865 AromaticContact CD1-NE2 3.63Å; Y829-Y869 HydrophobicContact CD1-CE1 4.14Å; Y829-Y869 AromaticContact CE1-CE1 3.63Å; Y829-Y869 HydrophobicContact CE1-CE1 3.63Å; Y829-Y869 AromaticContact CE1-CZ 3.99Å; Y829-Y869 WeakPolarHBondContact CE1-OH 3.45Å; Y829-Y869 PolarHBondContact OH-OH 3.06Å |
| 830 | E | 53.9 | Low | 71.6 | Confident | 58 Ų | 58 | 58 Ų | 58 | 27% | 0.271 | 29% | 0.291 | S | S | . | . | trans | -64.2 | 135.4 | -179.3 | -66.1 | -174.2 | 162.4 | 0 | 0 | 111.7 | V836 | E830-V836 HydrophobicContact CG-CG2 4.41Š| ||
| 831 | S | 50.4 | Low | 71.7 | Confident | 19 Ų | 19 | 55.8 Ų | 55.8 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | trans | -84.6 | 151 | 155.7 | 76.2 | 0 | 0 | 0 | 0 | 109.2 | N833 | S831-N833 PolarHBondContact O-N 3.35Š| ||
| 832 | M | 46.2 | Very low | 71.3 | Confident | 100 Ų | 100 | 55.4 Ų | 55.4 | 49% | 0.493 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -8.6 | -161 | -72.1 | -82.4 | -109 | 0 | 0 | 117.6 | Q158 K159 | Q158-M832 HydrophobicContact CB-CE 3.35Å; Q158-M832 HydrophobicContact CG-CE 3.97Å; K159-M832 WeakPolarHBondContact CG-O 3.37Å |
| 833 | N | 49.8 | Very low | 70.5 | Confident | 83 Ų | 83 | 55.9 Ų | 55.9 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | -27.2 | -166.6 | -78 | -17.9 | 0 | 0 | 0 | 117.8 | S831 | S831-N833 PolarHBondContact O-N 3.35Š|
| 834 | E | 53.4 | Low | 69.5 | Low | 92 Ų | 92 | 52.8 Ų | 52.8 | 43% | 0.43 | 26% | 0.26 | S | S | . | . | trans | -146.7 | 145 | -178.9 | -76.7 | -147.4 | 174.4 | 0 | 0 | 116.7 | N686 | N686-E834 VanDerWaalsContact ND2-CD 3.27Å; N686-E834 PolarHBondContact ND2-OE2 3.22Å | ||
| 835 | P | 64.9 | Low | 68.5 | Low | 57 Ų | 57 | 48.3 Ų | 48.3 | 37% | 0.37 | 24% | 0.24 | S | C | . | . | trans | -82.4 | 157.6 | -165.4 | 34.5 | -34.7 | 0 | 0 | 0 | 113 | L837 | P835-L837 PolarHBondContact O-N 3.09Š| ||
| 836 | V | 76.3 | Confident | 67 | Low | 16 Ų | 16 | 51.6 Ų | 51.6 | 10% | 0.097 | 26% | 0.258 | C | S | . | . | trans | -50.7 | 121.7 | 160.1 | 175.7 | 0 | 0 | 0 | 0 | 109.2 | A822 F826 E830 L856 L858 | A822-V836 HydrophobicContact CB-CG1 4.18Å; F826-V836 HydrophobicContact CB-CB 4.33Å; F826-V836 HydrophobicContact CB-CG1 4.24Å; F826-V836 HydrophobicContact CB-CG2 3.28Å; F826-V836 HydrophobicContact CD2-CG1 3.95Å; F826-V836 HydrophobicContact CG-CG1 4.46Å; F826-V836 HydrophobicContact CG-CG2 4.24Å; E830-V836 HydrophobicContact CG-CG2 4.41Å; V836-L856 HydrophobicContact CG1-CD1 3.89Å; V836-L858 HydrophobicContact CB-CD2 4.04Å; V836-L858 HydrophobicContact CG1-CD2 3.64Å; V836-L858 HydrophobicContact CG2-CD2 3.57Å | ||
| 837 | L | 79.3 | Confident | 65.7 | Low | 75 Ų | 75 | 53.1 Ų | 53.1 | 39% | 0.393 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 124.9 | 177.7 | -158.7 | 95.2 | 0 | 0 | 0 | 109.2 | P835 D839 L856 S857 | P835-L837 PolarHBondContact O-N 3.09Å; L837-D839 HydrophobicContact CD2-CB 4.25Å; L837-L856 CarbonylContact O-C 3.56Å; L837-L856 WeakPolarHBondContact O-CA 3.44Å; L837-S857 PolarHBondContact N-O 3.12Å; L837-S857 PolarHBondContact O-N 3.25Å |
| 838 | L | 87.2 | Confident | 64.8 | Low | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 113.4 | 168.1 | -169.2 | 97.5 | 0 | 0 | 0 | 108 | T815 L818 K819 A822 T854 R855 L856 W878 | T815-L838 HydrophobicContact CG2-CD2 4.26Å; T815-L838 HydrophobicContact CG2-CG 4.43Å; T815-L838 VanDerWaalsContact O-CD2 3.23Å; T815-L838 WeakPolarHBondContact O-CD2 3.18Å; L818-L838 HydrophobicContact CB-CD2 3.65Å; K819-L838 HydrophobicContact CB-CD2 4.39Å; K819-L838 HydrophobicContact CG-CB 4.47Å; A822-L838 HydrophobicContact CB-CB 4.36Å; L838-T854 HydrophobicContact CD1-CG2 3.74Å; L838-T854 HydrophobicContact CD2-CG2 4.34Å; L838-T854 HydrophobicContact CG-CG2 3.81Å; L838-R855 WeakPolarHBondContact CA-O 3.39Å; L838-L856 HydrophobicContact CD1-CB 4.02Å; L838-L856 HydrophobicContact CD1-CD1 3.84Å; L838-L856 HydrophobicContact CD1-CG 4.45Å; L838-W878 HydrophobicContact CD1-CH2 4.1Å; L838-W878 HydrophobicContact CD1-CZ2 4.08Å |
| 839 | D | 84.9 | Confident | 64.6 | Low | 39 Ų | 39 | 52.9 Ų | 52.9 | 21% | 0.209 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 161.3 | -175.5 | 68.8 | -27 | 0 | 0 | 0 | 113.7 | T815 L837 T854 R855 | T815-D839 VanDerWaalsContact CG2-C 3.46Å; L837-D839 HydrophobicContact CD2-CB 4.25Å; D839-T854 CarbonylContact O-C 3.58Å; D839-T854 WeakPolarHBondContact O-CA 2.99Å; D839-R855 PolarHBondContact N-O 3.47Å; D839-R855 PolarHBondContact O-N 3.06Å; D839-R855 VanDerWaalsContact OD1-CB 3.3Å; D839-R855 WeakPolarHBondContact OD1-CB 3.21Å; D839-R855 IonicContact OD1-CZ 2.86Å; D839-R855 IonicContact OD1-NE 2.9Å; D839-R855 PolarHBondContact OD1-NE 3.03Å; D839-R855 IonicContact OD1-NH2 3.21Å; D839-R855 IonicContact OD2-CZ 3.56Å; D839-R855 IonicContact OD2-NE 3.94Å; D839-R855 PolarHBondContact OD2-NE 3.35Å; D839-R855 IonicContact OD2-NH2 2.85Å; D839-R855 PolarHBondContact OD2-NH2 3.06Å |
| 840 | F | 85.2 | Confident | 64.7 | Low | 52 Ų | 52 | 52.9 Ų | 52.9 | 23% | 0.228 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 132.7 | 177 | 167 | -93.6 | 0 | 0 | 0 | 108.2 | E808 C811 K812 T815 K842 I852 | E808-F840 HydrophobicContact CG-CE2 4.17Å; E808-F840 HydrophobicContact CG-CZ 3.71Å; C811-F840 HydrophobicContact CB-CD2 3.92Å; C811-F840 HydrophobicContact CB-CE2 3.96Å; K812-F840 HydrophobicContact CG-CB 4.44Å; K812-F840 HydrophobicContact CG-CD1 4.15Å; K812-F840 HydrophobicContact CG-CD2 3.86Å; K812-F840 HydrophobicContact CG-CE1 4.42Å; K812-F840 HydrophobicContact CG-CE2 4.15Å; K812-F840 HydrophobicContact CG-CG 3.87Å; K812-F840 HydrophobicContact CG-CZ 4.44Å; T815-F840 HydrophobicContact CG2-CB 4.33Å; F840-K842 HydrophobicContact CE1-CB 3.87Å; F840-K842 HydrophobicContact CZ-CB 3.94Å; F840-I852 HydrophobicContact CE2-CB 4Å; F840-I852 HydrophobicContact CE2-CG2 4.36Å; F840-I852 HydrophobicContact CZ-CB 4.22Å; F840-I852 HydrophobicContact CZ-CG2 4.1Å |
| 841 | Y | 79.7 | Confident | 65.8 | Low | 26 Ų | 26 | 50.9 Ų | 50.9 | 10% | 0.102 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 148.4 | 174.5 | 74.3 | -86.3 | 0 | 0 | 0 | 110.9 | F797 L843 I852 G853 T854 R855 | F797-Y841 HydrophobicContact CB-CE1 4.36Å; F797-Y841 HydrophobicContact CD1-CD1 4.21Å; F797-Y841 AromaticContact CD1-CE1 3.64Å; F797-Y841 HydrophobicContact CD1-CE1 3.64Å; F797-Y841 HydrophobicContact CD1-CE2 4.32Å; F797-Y841 AromaticContact CD1-CZ 3.72Å; F797-Y841 HydrophobicContact CG-CE1 4.49Å; Y841-L843 HydrophobicContact CD2-CD1 4.23Å; Y841-L843 HydrophobicContact CD2-CG 4.27Å; Y841-L843 HydrophobicContact CE2-CD1 4.1Å; Y841-I852 WeakPolarHBondContact O-CA 3.49Å; Y841-G853 WeakPolarHBondContact CD1-O 3.33Å; Y841-G853 PolarHBondContact N-O 2.85Å; Y841-G853 PolarHBondContact O-N 3.44Å; Y841-T854 WeakPolarHBondContact CE1-O 3.42Å; Y841-R855 HydrophobicContact CD1-CB 3.81Å; Y841-R855 HydrophobicContact CE1-CB 4.27Å |
| 842 | K | 76.4 | Confident | 67.2 | Low | 46 Ų | 46 | 50 Ų | 50 | 20% | 0.2 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 124.4 | 175.5 | -179.9 | 169.6 | -172.9 | 174.4 | 0 | 109.2 | E808 F840 I844 S850 I851 I852 L927 | E808-K842 IonicContact OE1-NZ 3Å; E808-K842 IonicContact OE2-NZ 3.72Å; E808-K842 PolarHBondContact OE2-NZ 3.17Å; F840-K842 HydrophobicContact CE1-CB 3.87Å; F840-K842 HydrophobicContact CZ-CB 3.94Å; K842-I844 HydrophobicContact CD-CD1 4.4Å; K842-I844 HydrophobicContact CD-CG1 4.38Å; K842-I844 HydrophobicContact CG-CD1 4.42Å; K842-I844 HydrophobicContact CG-CG1 3.99Å; K842-S850 WeakPolarHBondContact CE-OG 3.47Å; K842-I851 CarbonylContact C-O 3.36Å; K842-I851 WeakPolarHBondContact CA-O 3.32Å; K842-I852 HydrophobicContact CB-CG2 4.25Å; K842-I852 HydrophobicContact CD-CG2 4.2Å; K842-I852 HydrophobicContact CG-CG2 3.94Å; K842-L927 HydrophobicContact CD-CD1 4.24Å; K842-L927 VanDerWaalsContact NZ-CD2 3.28Å |
| 843 | L | 69.2 | Low | 69 | Low | 10 Ų | 10 | 45.2 Ų | 45.2 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132 | 174.1 | -63.6 | 162.2 | 0 | 0 | 0 | 107.1 | W697 Y698 Y770 Y841 S850 I851 | W697-L843 HydrophobicContact CB-CD1 3.99Å; W697-L843 HydrophobicContact CB-CD2 4.16Å; W697-L843 HydrophobicContact CD2-CD1 3.51Å; W697-L843 HydrophobicContact CE3-CD1 3.62Å; W697-L843 HydrophobicContact CG-CD1 3.65Å; W697-L843 HydrophobicContact CG-CD2 4.41Å; W697-L843 HydrophobicContact CZ3-CD1 4.32Å; Y698-L843 HydrophobicContact CE1-CD2 4.36Å; Y698-L843 HydrophobicContact CE2-CD2 4.08Å; Y698-L843 VanDerWaalsContact OH-CD2 3.31Å; Y698-L843 WeakPolarHBondContact OH-CD2 3.31Å; Y770-L843 HydrophobicContact CD2-CB 4.19Å; Y770-L843 HydrophobicContact CE2-CB 3.6Å; Y841-L843 HydrophobicContact CD2-CD1 4.23Å; Y841-L843 HydrophobicContact CD2-CG 4.27Å; Y841-L843 HydrophobicContact CE2-CD1 4.1Å; L843-S850 CarbonylContact O-C 3.58Å; L843-S850 WeakPolarHBondContact O-CA 3.39Å; L843-S850 WeakPolarHBondContact O-CB 3.45Å; L843-I851 HydrophobicContact CB-CB 4.27Å; L843-I851 PolarHBondContact N-O 3.43Å; L843-I851 PolarHBondContact O-N 2.88Å |
| 844 | I | 60.6 | Low | 70.8 | Confident | 48 Ų | 48 | 41.3 Ų | 41.3 | 25% | 0.246 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 110.1 | -175.1 | -56.9 | 172.5 | 0 | 0 | 0 | 108.9 | Y770 K842 T925 L927 | Y770-I844 PolarHBondContact OH-N 3.47Å; Y770-I844 PolarHBondContact OH-O 3.01Å; K842-I844 HydrophobicContact CD-CD1 4.4Å; K842-I844 HydrophobicContact CD-CG1 4.38Å; K842-I844 HydrophobicContact CG-CD1 4.42Å; K842-I844 HydrophobicContact CG-CG1 3.99Å; I844-T925 HydrophobicContact CD1-CG2 3.93Å; I844-L927 HydrophobicContact CD1-CD1 3.84Å; I844-L927 HydrophobicContact CD1-CG 4.18Å |
| 845 | S | 56.8 | Low | 72.3 | Confident | 8 Ų | 8 | 38.5 Ų | 38.5 | 6% | 0.056 | 20% | 0.197 | C | C | . | . | trans | -76.7 | 158.4 | 176.1 | 72.9 | 0 | 0 | 0 | 0 | 109.9 | S847 F848 N849 | S845-S847 PolarHBondContact O-N 3.36Å; S845-S847 PolarHBondContact OG-N 3.04Å; S845-S847 PolarHBondContact OG-OG 2.93Å; S845-F848 PolarHBondContact O-N 3.3Å; S845-F848 VanDerWaalsContact O-N 3.16Å; S845-N849 PolarHBondContact N-O 3.35Å; S845-N849 VanDerWaalsContact N-O 3.14Å; S845-N849 PolarHBondContact OG-N 3.35Å; S845-N849 PolarHBondContact OG-O 2.97Å | ||
| 846 | N | 51 | Low | 73.4 | Confident | 84 Ų | 84 | 35.8 Ų | 35.8 | 45% | 0.449 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -12.7 | 171.8 | -69.4 | -7 | 0 | 0 | 0 | 112.8 | H767 F848 | H767-N846 PolarHBondContact ND1-O 2.87Å; N846-F848 VanDerWaalsContact C-N 3.32Å |
| 847 | S | 53.6 | Low | 73.6 | Confident | 34 Ų | 34 | 35.7 Ų | 35.7 | 24% | 0.238 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 12.7 | 178 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | D769 S845 N849 | D769-S847 PolarHBondContact OD1-OG 3.47Å; S845-S847 PolarHBondContact O-N 3.36Å; S845-S847 PolarHBondContact OG-N 3.04Å; S845-S847 PolarHBondContact OG-OG 2.93Å; S847-N849 PolarHBondContact O-N 2.9Å; S847-N849 VanDerWaalsContact O-N 3.14Å |
| 848 | F | 54.2 | Low | 73.7 | Confident | 157 Ų | 157 | 32.7 Ų | 32.7 | 69% | 0.689 | 16% | 0.164 | S | C | * | . | S | Bend | trans | 64.5 | 5.1 | -176.8 | -57.7 | -89.8 | 0 | 0 | 0 | 115.2 | S845 N846 S850 N926 | S845-F848 PolarHBondContact O-N 3.3Å; S845-F848 VanDerWaalsContact O-N 3.16Å; N846-F848 VanDerWaalsContact C-N 3.32Å; F848-S850 PolarHBondContact O-N 3.17Å; F848-N926 VanDerWaalsContact CE1-ND2 3.33Å; F848-N926 WeakPolarHBondContact CE1-ND2 3.33Å |
| 849 | N | 60.1 | Low | 73 | Confident | 86 Ų | 86 | 33.6 Ų | 33.6 | 46% | 0.46 | 17% | 0.168 | S | C | . | . | trans | -82 | 114.9 | 170.9 | -79.2 | -29.1 | 0 | 0 | 0 | 109 | S845 S847 | S845-N849 PolarHBondContact N-O 3.35Å; S845-N849 VanDerWaalsContact N-O 3.14Å; S845-N849 PolarHBondContact OG-N 3.35Å; S845-N849 PolarHBondContact OG-O 2.97Å; S847-N849 PolarHBondContact O-N 2.9Å; S847-N849 VanDerWaalsContact O-N 3.14Å | ||
| 850 | S | 66.4 | Low | 72.4 | Confident | 16 Ų | 16 | 31.9 Ų | 31.9 | 11% | 0.112 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 130.8 | 173.6 | 86 | 0 | 0 | 0 | 0 | 111.5 | T803 K842 L843 F848 | T803-S850 VanDerWaalsContact CG2-O 3.3Å; T803-S850 WeakPolarHBondContact CG2-O 3.36Å; T803-S850 PolarHBondContact OG1-O 3.41Å; T803-S850 PolarHBondContact OG1-OG 3.49Å; K842-S850 WeakPolarHBondContact CE-OG 3.47Å; L843-S850 CarbonylContact O-C 3.58Å; L843-S850 WeakPolarHBondContact O-CA 3.39Å; L843-S850 WeakPolarHBondContact O-CB 3.45Å; F848-S850 PolarHBondContact O-N 3.17Å |
| 851 | I | 76.3 | Confident | 71.5 | Confident | 17 Ų | 17 | 31 Ų | 31 | 9% | 0.087 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 123.3 | 170.2 | -59.3 | 174.6 | 0 | 0 | 0 | 106.4 | Y770 R799 I800 E801 K842 L843 | Y770-I851 HydrophobicContact CD2-CD1 4.32Å; R799-I851 HydrophobicContact CG-CG2 3.67Å; I800-I851 WeakPolarHBondContact O-CA 3.31Å; E801-I851 HydrophobicContact CG-CG1 4.42Å; K842-I851 CarbonylContact C-O 3.36Å; K842-I851 WeakPolarHBondContact CA-O 3.32Å; L843-I851 HydrophobicContact CB-CB 4.27Å; L843-I851 PolarHBondContact N-O 3.43Å; L843-I851 PolarHBondContact O-N 2.88Å |
| 852 | I | 79.2 | Confident | 70.5 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 160.7 | 175.4 | 69.4 | -177.1 | 0 | 0 | 0 | 109.9 | I800 T803 D807 E808 F840 Y841 K842 | I800-I852 HydrophobicContact CB-CD1 4.48Å; I800-I852 HydrophobicContact CB-CG1 3.87Å; I800-I852 HydrophobicContact CD1-CD1 4.34Å; I800-I852 HydrophobicContact CD1-CG1 4.22Å; I800-I852 HydrophobicContact CG1-CG1 4.4Å; I800-I852 PolarHBondContact N-O 3.31Å; I800-I852 PolarHBondContact O-N 3.46Å; T803-I852 HydrophobicContact CG2-CB 4.3Å; T803-I852 HydrophobicContact CG2-CD1 3.59Å; T803-I852 HydrophobicContact CG2-CG1 3.5Å; T803-I852 VanDerWaalsContact CG2-CG1 3.5Å; T803-I852 HydrophobicContact CG2-CG2 4.17Å; D807-I852 VanDerWaalsContact C-CD1 3.43Å; D807-I852 HydrophobicContact CB-CD1 3.82Å; E808-I852 VanDerWaalsContact CA-CD1 3.45Å; E808-I852 HydrophobicContact CB-CD1 4.17Å; E808-I852 VanDerWaalsContact N-CD1 3.3Å; F840-I852 HydrophobicContact CE2-CB 4Å; F840-I852 HydrophobicContact CE2-CG2 4.36Å; F840-I852 HydrophobicContact CZ-CB 4.22Å; F840-I852 HydrophobicContact CZ-CG2 4.1Å; Y841-I852 WeakPolarHBondContact O-CA 3.49Å; K842-I852 HydrophobicContact CB-CG2 4.25Å; K842-I852 HydrophobicContact CD-CG2 4.2Å; K842-I852 HydrophobicContact CG-CG2 3.94Å |
| 853 | G | 83.9 | Confident | 69.7 | Low | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.6 | -179.5 | 172 | 0 | 0 | 0 | 0 | 0 | 114.5 | E798 Y841 | E798-G853 WeakPolarHBondContact O-CA 3.41Å; Y841-G853 WeakPolarHBondContact CD1-O 3.33Å; Y841-G853 PolarHBondContact N-O 2.85Å; Y841-G853 PolarHBondContact O-N 3.44Å |
| 854 | T | 87.5 | Confident | 69.2 | Low | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 139.7 | 164.2 | -58.4 | 0 | 0 | 0 | 0 | 108.5 | E798 T815 L838 D839 Y841 W878 Y955 | E798-T854 PolarHBondContact N-O 3.48Å; E798-T854 VanDerWaalsContact OE2-O 3.05Å; T815-T854 HydrophobicContact CG2-CG2 4.48Å; T815-T854 WeakPolarHBondContact OG1-CG2 3.24Å; T815-T854 PolarHBondContact OG1-OG1 2.87Å; L838-T854 HydrophobicContact CD1-CG2 3.74Å; L838-T854 HydrophobicContact CD2-CG2 4.34Å; L838-T854 HydrophobicContact CG-CG2 3.81Å; D839-T854 CarbonylContact O-C 3.58Å; D839-T854 WeakPolarHBondContact O-CA 2.99Å; Y841-T854 WeakPolarHBondContact CE1-O 3.42Å; T854-W878 HydrophobicContact CG2-CH2 4.02Å; T854-W878 HydrophobicContact CG2-CZ2 4.43Å; T854-Y955 PolarHBondContact OG1-OH 3.4Å |
| 855 | R | 85.8 | Confident | 69.4 | Low | 33 Ų | 33 | 41.2 Ų | 41.2 | 13% | 0.125 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 126.5 | 173.9 | 169.5 | 178 | 72.9 | 162.2 | 2.7 | 108.4 | I795 Q796 F797 L838 D839 Y841 | I795-R855 HydrophobicContact CG2-CG 3.69Å; Q796-R855 WeakPolarHBondContact O-CA 3.4Å; F797-R855 HydrophobicContact CD1-CB 4.25Å; F797-R855 HydrophobicContact CD1-CG 4.4Å; F797-R855 HydrophobicContact CE1-CB 4.17Å; F797-R855 HydrophobicContact CE1-CG 3.94Å; F797-R855 HydrophobicContact CZ-CG 4.25Å; L838-R855 WeakPolarHBondContact CA-O 3.39Å; D839-R855 PolarHBondContact N-O 3.47Å; D839-R855 PolarHBondContact O-N 3.06Å; D839-R855 VanDerWaalsContact OD1-CB 3.3Å; D839-R855 WeakPolarHBondContact OD1-CB 3.21Å; D839-R855 IonicContact OD1-CZ 2.86Å; D839-R855 IonicContact OD1-NE 2.9Å; D839-R855 PolarHBondContact OD1-NE 3.03Å; D839-R855 IonicContact OD1-NH2 3.21Å; D839-R855 IonicContact OD2-CZ 3.56Å; D839-R855 IonicContact OD2-NE 3.94Å; D839-R855 PolarHBondContact OD2-NE 3.35Å; D839-R855 IonicContact OD2-NH2 2.85Å; D839-R855 PolarHBondContact OD2-NH2 3.06Å; Y841-R855 HydrophobicContact CD1-CB 3.81Å; Y841-R855 HydrophobicContact CE1-CB 4.27Å |
| 856 | L | 87.1 | Confident | 70.1 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 116.8 | 170.9 | 176.3 | 63.8 | 0 | 0 | 0 | 108.7 | I795 Q796 F826 V836 L837 L838 L858 I874 W878 | I795-L856 CarbonylContact C-O 3.57Å; I795-L856 WeakPolarHBondContact CA-O 3.4Å; Q796-L856 PolarHBondContact N-O 3.37Å; Q796-L856 PolarHBondContact O-N 3.11Å; F826-L856 HydrophobicContact CE2-CD1 4.26Å; F826-L856 HydrophobicContact CE2-CD2 3.98Å; F826-L856 HydrophobicContact CZ-CD2 4.13Å; V836-L856 HydrophobicContact CG1-CD1 3.89Å; L837-L856 CarbonylContact O-C 3.56Å; L837-L856 WeakPolarHBondContact O-CA 3.44Å; L838-L856 HydrophobicContact CD1-CB 4.02Å; L838-L856 HydrophobicContact CD1-CD1 3.84Å; L838-L856 HydrophobicContact CD1-CG 4.45Å; L856-L858 HydrophobicContact CD1-CD2 4.31Å; L856-L858 HydrophobicContact CD1-CG 4.31Å; L856-L858 HydrophobicContact CD2-CD1 4.1Å; L856-L858 HydrophobicContact CG-CD1 4.2Å; L856-L858 HydrophobicContact CG-CG 4.18Å; L856-I874 HydrophobicContact CD2-CG1 4.36Å; L856-I874 HydrophobicContact CD2-CG2 4.09Å; L856-W878 HydrophobicContact CB-CZ2 4.47Å |
| 857 | S | 81.5 | Confident | 71.1 | Confident | 14 Ų | 14 | 44 Ų | 44 | 10% | 0.098 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.1 | 178.5 | -125.2 | 0 | 0 | 0 | 0 | 110.5 | I794 L837 | I794-S857 CarbonylContact O-C 3.58Å; I794-S857 WeakPolarHBondContact O-CA 3.45Å; L837-S857 PolarHBondContact N-O 3.12Å; L837-S857 PolarHBondContact O-N 3.25Å |
| 858 | L | 80.4 | Confident | 72.1 | Confident | 12 Ų | 12 | 45.1 Ų | 45.1 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 130.8 | -175.4 | -64.7 | 166.2 | 0 | 0 | 0 | 110.5 | Q793 I794 F826 V836 L856 I874 | Q793-L858 CarbonylContact C-O 3.47Å; Q793-L858 WeakPolarHBondContact CA-O 3.39Å; I794-L858 HydrophobicContact CB-CB 4.44Å; I794-L858 PolarHBondContact N-O 3.07Å; I794-L858 PolarHBondContact O-N 2.84Å; F826-L858 HydrophobicContact CB-CD2 3.91Å; F826-L858 HydrophobicContact CD1-CD1 4.19Å; F826-L858 HydrophobicContact CD1-CD2 3.89Å; F826-L858 HydrophobicContact CD2-CD2 3.85Å; F826-L858 HydrophobicContact CE1-CD1 3.92Å; F826-L858 HydrophobicContact CE1-CD2 4.37Å; F826-L858 HydrophobicContact CE2-CD2 4.34Å; F826-L858 HydrophobicContact CG-CD2 3.63Å; F826-L858 HydrophobicContact CZ-CD1 4.11Å; V836-L858 HydrophobicContact CB-CD2 4.04Å; V836-L858 HydrophobicContact CG1-CD2 3.64Å; V836-L858 HydrophobicContact CG2-CD2 3.57Å; L856-L858 HydrophobicContact CD1-CD2 4.31Å; L856-L858 HydrophobicContact CD1-CG 4.31Å; L856-L858 HydrophobicContact CD2-CD1 4.1Å; L856-L858 HydrophobicContact CG-CD1 4.2Å; L856-L858 HydrophobicContact CG-CG 4.18Å; L858-I874 HydrophobicContact CD1-CD1 3.51Å; L858-I874 HydrophobicContact CD1-CG1 3.4Å |
| 859 | N | 74.2 | Confident | 73.3 | Confident | 22 Ų | 22 | 41 Ų | 41 | 12% | 0.118 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 125.9 | 172.4 | -72.1 | -24.7 | 0 | 0 | 0 | 109.7 | N686 Q793 | N686-N859 PolarHBondContact OD1-ND2 3.34Å; Q793-N859 WeakPolarHBondContact CB-OD1 3.49Å; Q793-N859 WeakPolarHBondContact CG-OD1 3.28Å; Q793-N859 PolarHBondContact NE2-OD1 2.93Å |
| 860 | S | 70.8 | Confident | 74.2 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.028 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 135.5 | -179.5 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | F791 H792 L862 H865 | F791-S860 CarbonylContact C-O 3.59Å; F791-S860 WeakPolarHBondContact CA-O 3.41Å; F791-S860 VanDerWaalsContact CB-O 3.24Å; F791-S860 WeakPolarHBondContact CB-O 3.41Å; H792-S860 PolarHBondContact N-O 3.11Å; H792-S860 PolarHBondContact O-N 3.17Å; S860-L862 PolarHBondContact O-N 3.07Å; S860-H865 PolarHBondContact OG-CD2 3.21Å |
| 861 | Q | 66.3 | Low | 74.7 | Confident | 33 Ų | 33 | 37 Ų | 37 | 15% | 0.154 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 132.9 | 172.7 | -86.5 | 170.6 | -14.7 | 0 | 0 | 111.5 | E789 K790 N863 K864 | E789-Q861 PolarHBondContact OE2-NE2 3.4Å; K790-Q861 WeakPolarHBondContact O-CA 3.35Å; Q861-N863 PolarHBondContact O-N 2.92Å; Q861-K864 HydrophobicContact CB-CB 4.43Å; Q861-K864 PolarHBondContact O-N 2.93Å |
| 862 | L | 58.7 | Low | 74.9 | Confident | 44 Ų | 44 | 38.8 Ų | 38.8 | 23% | 0.23 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -33.4 | -176.5 | -116.7 | 147.9 | 0 | 0 | 0 | 111.5 | K790 F791 H792 S860 F968 | K790-L862 HydrophobicContact CB-CB 3.57Å; K790-L862 HydrophobicContact CB-CD1 3.69Å; K790-L862 HydrophobicContact CB-CG 4.22Å; K790-L862 PolarHBondContact O-N 3.25Å; F791-L862 WeakPolarHBondContact O-CD1 3.25Å; H792-L862 WeakPolarHBondContact CE1-CD2 3.29Å; H792-L862 WeakPolarHBondContact CE1-CG 3.33Å; H792-L862 WeakPolarHBondContact NE2-CD2 3.4Å; H792-L862 WeakPolarHBondContact NE2-CG 3.34Å; S860-L862 PolarHBondContact O-N 3.07Å; L862-F968 VanDerWaalsContact CD1-O 3.31Å; L862-F968 WeakPolarHBondContact CD1-O 3.32Å |
| 863 | N | 59.9 | Low | 75.1 | Confident | 134 Ų | 134 | 38.9 Ų | 38.9 | 72% | 0.717 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -20 | -172.8 | -40.4 | -0.4 | 0 | 0 | 0 | 112.7 | Q861 | Q861-N863 PolarHBondContact O-N 2.92Š|
| 864 | K | 59.5 | Low | 75.2 | Confident | 127 Ų | 127 | 39 Ų | 39 | 55% | 0.552 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -41 | -173.4 | -87.7 | -174.5 | 176.2 | 175.4 | 0 | 112.5 | Q861 | Q861-K864 HydrophobicContact CB-CB 4.43Å; Q861-K864 PolarHBondContact O-N 2.93Å |
| 865 | H | 64.2 | Low | 75.1 | Confident | 39 Ų | 39 | 41.7 Ų | 41.7 | 18% | 0.181 | 21% | 0.206 | C | C | . | . | trans | -137.7 | 127.2 | -166.1 | -58.3 | -36.8 | 0 | 0 | 0 | 111.3 | Y829 S860 Y869 L870 | Y829-H865 AromaticContact CD1-CD2 3.8Å; Y829-H865 AromaticContact CD1-NE2 3.63Å; S860-H865 PolarHBondContact OG-CD2 3.21Å; H865-Y869 HydrophobicContact CB-CD1 4.12Å; H865-L870 HydrophobicContact CB-CD1 4.22Å; H865-L870 HydrophobicContact CB-CD2 3.99Å; H865-L870 HydrophobicContact CB-CG 3.99Å | ||
| 866 | D | 71.8 | Confident | 75 | Confident | 102 Ų | 102 | 41.5 Ų | 41.5 | 55% | 0.545 | 21% | 0.209 | S | C | . | . | trans | -68.4 | 151.8 | 174 | 175.8 | 31.5 | 0 | 0 | 0 | 111.4 | V868 Y869 L870 | D866-V868 VanDerWaalsContact C-N 3.34Å; D866-V868 PolarHBondContact O-N 2.94Å; D866-Y869 WeakPolarHBondContact O-CB 3.42Å; D866-Y869 PolarHBondContact O-N 3.35Å; D866-L870 PolarHBondContact O-N 3.34Å | ||
| 867 | K | 72.2 | Confident | 75.2 | Confident | 49 Ų | 49 | 41.5 Ų | 41.5 | 21% | 0.213 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.6 | -44.4 | -179.7 | -52.4 | -174.4 | -179 | -176.6 | 0 | 112 | Y779 H792 Y869 L870 I871 F965 D967 | Y779-K867 HydrophobicContact CE1-CD 4.35Å; H792-K867 VanDerWaalsContact NE2-CE 3.33Å; H792-K867 WeakPolarHBondContact NE2-CE 3.05Å; K867-Y869 VanDerWaalsContact C-N 3.3Å; K867-Y869 PolarHBondContact O-N 3.26Å; K867-L870 PolarHBondContact O-N 3.14Å; K867-I871 WeakPolarHBondContact O-CG1 3.25Å; K867-I871 PolarHBondContact O-N 3.04Å; K867-F965 HydrophobicContact CB-CE1 4.01Å; K867-F965 HydrophobicContact CB-CE2 3.9Å; K867-F965 HydrophobicContact CB-CZ 3.51Å; K867-F965 HydrophobicContact CD-CD1 4.19Å; K867-F965 HydrophobicContact CD-CE1 3.79Å; K867-F965 HydrophobicContact CD-CZ 4.19Å; K867-F965 HydrophobicContact CG-CD1 4.45Å; K867-F965 HydrophobicContact CG-CE1 3.59Å; K867-F965 HydrophobicContact CG-CE2 4.41Å; K867-F965 HydrophobicContact CG-CZ 3.59Å; K867-D967 WeakPolarHBondContact CE-OD2 3.49Å; K867-D967 IonicContact NZ-OD2 3.15Å; K867-D967 PolarHBondContact NZ-OD2 2.86Å |
| 868 | V | 75.1 | Confident | 75.5 | Confident | 57 Ų | 57 | 40.8 Ų | 40.8 | 35% | 0.345 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.6 | -39.4 | 179.4 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | D866 I871 N872 | D866-V868 VanDerWaalsContact C-N 3.34Å; D866-V868 PolarHBondContact O-N 2.94Å; V868-I871 PolarHBondContact O-N 3.17Å; V868-N872 PolarHBondContact O-N 3.16Å; V868-N872 PolarHBondContact O-ND2 2.81Å |
| 869 | Y | 78.8 | Confident | 75.8 | Confident | 70 Ų | 70 | 44.1 Ų | 44.1 | 28% | 0.275 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.4 | -47.2 | 176 | 177 | -94.6 | 0 | 0 | 0 | 111.9 | Y829 H865 D866 K867 I871 N872 C873 | Y829-Y869 HydrophobicContact CD1-CE1 4.14Å; Y829-Y869 AromaticContact CE1-CE1 3.63Å; Y829-Y869 HydrophobicContact CE1-CE1 3.63Å; Y829-Y869 AromaticContact CE1-CZ 3.99Å; Y829-Y869 WeakPolarHBondContact CE1-OH 3.45Å; Y829-Y869 PolarHBondContact OH-OH 3.06Å; H865-Y869 HydrophobicContact CB-CD1 4.12Å; D866-Y869 WeakPolarHBondContact O-CB 3.42Å; D866-Y869 PolarHBondContact O-N 3.35Å; K867-Y869 VanDerWaalsContact C-N 3.3Å; K867-Y869 PolarHBondContact O-N 3.26Å; Y869-I871 PolarHBondContact O-N 2.91Å; Y869-N872 WeakPolarHBondContact O-CB 3.14Å; Y869-N872 PolarHBondContact O-N 2.66Å; Y869-C873 WeakPolarHBondContact CE1-SG 3.49Å; Y869-C873 VanDerWaalsContact CZ-SG 3.52Å; Y869-C873 PolarHBondContact O-N 2.87Å; Y869-C873 PolarHBondContact O-SG 3.05Å; Y869-C873 VanDerWaalsContact O-SG 3.42Å |
| 870 | L | 77.6 | Confident | 76.4 | Confident | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.9 | -41 | 179.2 | -68.2 | 168.1 | 0 | 0 | 0 | 112.3 | I794 H865 D866 K867 N872 C873 I874 F965 | I794-L870 HydrophobicContact CD1-CB 3.35Å; I794-L870 HydrophobicContact CD1-CD1 3.65Å; I794-L870 HydrophobicContact CD1-CG 4.06Å; H865-L870 HydrophobicContact CB-CD1 4.22Å; H865-L870 HydrophobicContact CB-CD2 3.99Å; H865-L870 HydrophobicContact CB-CG 3.99Å; D866-L870 PolarHBondContact O-N 3.34Å; K867-L870 PolarHBondContact O-N 3.14Å; L870-N872 VanDerWaalsContact C-N 3.31Å; L870-N872 PolarHBondContact O-N 2.83Å; L870-C873 WeakPolarHBondContact O-CB 3.41Å; L870-C873 PolarHBondContact O-N 3.04Å; L870-I874 WeakPolarHBondContact O-CG1 3.28Å; L870-I874 PolarHBondContact O-N 2.89Å; L870-F965 HydrophobicContact CD1-CZ 4.43Å |
| 871 | I | 77.6 | Confident | 77.2 | Confident | 12 Ų | 12 | 48.1 Ų | 48.1 | 6% | 0.062 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.6 | -44.7 | 173.6 | -71.3 | 162.7 | 0 | 0 | 0 | 110.6 | I777 K867 V868 Y869 C873 I874 Q875 F965 | I777-I871 HydrophobicContact CD1-CD1 3.96Å; K867-I871 WeakPolarHBondContact O-CG1 3.25Å; K867-I871 PolarHBondContact O-N 3.04Å; V868-I871 PolarHBondContact O-N 3.17Å; Y869-I871 PolarHBondContact O-N 2.91Å; I871-C873 VanDerWaalsContact C-N 3.33Å; I871-C873 PolarHBondContact O-N 3.08Å; I871-I874 PolarHBondContact O-N 3.05Å; I871-Q875 HydrophobicContact CG2-CG 4.44Å; I871-Q875 WeakPolarHBondContact O-CG 3.33Å; I871-Q875 PolarHBondContact O-N 3.42Å; I871-F965 HydrophobicContact CD1-CD2 4.41Å; I871-F965 HydrophobicContact CD1-CE2 4.36Å; I871-F965 HydrophobicContact CG1-CE2 4.28Å |
| 872 | N | 80.7 | Confident | 78.2 | Confident | 54 Ų | 54 | 46.5 Ų | 46.5 | 29% | 0.289 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.3 | -39.5 | 177.3 | -73.7 | -18.9 | 0 | 0 | 0 | 111.9 | V868 Y869 L870 I874 Q875 T876 | V868-N872 PolarHBondContact O-N 3.16Å; V868-N872 PolarHBondContact O-ND2 2.81Å; Y869-N872 WeakPolarHBondContact O-CB 3.14Å; Y869-N872 PolarHBondContact O-N 2.66Å; L870-N872 VanDerWaalsContact C-N 3.31Å; L870-N872 PolarHBondContact O-N 2.83Å; N872-I874 VanDerWaalsContact C-N 3.34Å; N872-I874 PolarHBondContact O-N 3.29Å; N872-Q875 PolarHBondContact O-N 3.43Å; N872-T876 WeakPolarHBondContact O-CB 3.48Å; N872-T876 PolarHBondContact O-N 3.22Å; N872-T876 PolarHBondContact O-OG1 3.1Å |
| 873 | C | 83.8 | Confident | 79.6 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | 175.2 | -72.4 | 0 | 0 | 0 | 0 | 112.1 | Y825 F826 Y869 L870 I871 T876 F877 | Y825-C873 PolarHBondContact OH-O 2.88Å; F826-C873 HydrophobicContact CE1-CB 4.25Å; Y869-C873 WeakPolarHBondContact CE1-SG 3.49Å; Y869-C873 VanDerWaalsContact CZ-SG 3.52Å; Y869-C873 PolarHBondContact O-N 2.87Å; Y869-C873 PolarHBondContact O-SG 3.05Å; Y869-C873 VanDerWaalsContact O-SG 3.42Å; L870-C873 WeakPolarHBondContact O-CB 3.41Å; L870-C873 PolarHBondContact O-N 3.04Å; I871-C873 VanDerWaalsContact C-N 3.33Å; I871-C873 PolarHBondContact O-N 3.08Å; C873-T876 PolarHBondContact O-N 3.34Å; C873-F877 PolarHBondContact O-N 2.98Å |
| 874 | I | 85 | Confident | 80.8 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.015 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.3 | -46.2 | 175.7 | -67.4 | 166.7 | 0 | 0 | 0 | 111 | I794 F826 L856 L858 L870 I871 N872 T876 F877 W878 | I794-I874 HydrophobicContact CB-CD1 4.25Å; I794-I874 HydrophobicContact CD1-CD1 4.16Å; I794-I874 HydrophobicContact CG2-CD1 3.57Å; F826-I874 HydrophobicContact CE1-CG1 4.26Å; F826-I874 HydrophobicContact CZ-CG1 4.23Å; L856-I874 HydrophobicContact CD2-CG1 4.36Å; L856-I874 HydrophobicContact CD2-CG2 4.09Å; L858-I874 HydrophobicContact CD1-CD1 3.51Å; L858-I874 HydrophobicContact CD1-CG1 3.4Å; L870-I874 WeakPolarHBondContact O-CG1 3.28Å; L870-I874 PolarHBondContact O-N 2.89Å; I871-I874 PolarHBondContact O-N 3.05Å; N872-I874 VanDerWaalsContact C-N 3.34Å; N872-I874 PolarHBondContact O-N 3.29Å; I874-T876 VanDerWaalsContact C-N 3.31Å; I874-T876 PolarHBondContact O-N 2.94Å; I874-F877 WeakPolarHBondContact O-CB 3.14Å; I874-F877 PolarHBondContact O-N 3.39Å; I874-W878 VanDerWaalsContact O-CD1 3.29Å; I874-W878 PolarHBondContact O-N 3.41Å |
| 875 | Q | 85.3 | Confident | 82 | Confident | 56 Ų | 56 | 39.8 Ų | 39.8 | 26% | 0.262 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.2 | -40.3 | 175.8 | -73 | -166.4 | -3.1 | 0 | 0 | 111.7 | I871 N872 F877 W878 N879 | I871-Q875 HydrophobicContact CG2-CG 4.44Å; I871-Q875 WeakPolarHBondContact O-CG 3.33Å; I871-Q875 PolarHBondContact O-N 3.42Å; N872-Q875 PolarHBondContact O-N 3.43Å; Q875-F877 VanDerWaalsContact C-N 3.33Å; Q875-F877 PolarHBondContact O-N 3.43Å; Q875-W878 PolarHBondContact O-N 2.91Å; Q875-N879 WeakPolarHBondContact O-CB 3.38Å; Q875-N879 PolarHBondContact O-N 3.37Å; Q875-N879 PolarHBondContact O-ND2 3Å |
| 876 | T | 85.7 | Confident | 83.1 | Confident | 29 Ų | 29 | 37.9 Ų | 37.9 | 18% | 0.178 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 176 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | N872 C873 I874 E880 I881 L995 | N872-T876 WeakPolarHBondContact O-CB 3.48Å; N872-T876 PolarHBondContact O-N 3.22Å; N872-T876 PolarHBondContact O-OG1 3.1Å; C873-T876 PolarHBondContact O-N 3.34Å; I874-T876 VanDerWaalsContact C-N 3.31Å; I874-T876 PolarHBondContact O-N 2.94Å; T876-E880 HydrophobicContact CG2-CB 4.41Å; T876-E880 HydrophobicContact CG2-CG 4.47Å; T876-E880 WeakPolarHBondContact O-CA 3.44Å; T876-E880 WeakPolarHBondContact O-CB 3.25Å; T876-E880 PolarHBondContact O-N 3.08Å; T876-I881 PolarHBondContact O-N 2.82Å; T876-L995 HydrophobicContact CG2-CD1 4.18Å |
| 877 | F | 89.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -57.6 | -52.3 | 175.2 | 175.6 | -101.9 | 0 | 0 | 0 | 111.5 | L818 A822 Y825 F826 C873 I874 Q875 I881 A882 | L818-F877 HydrophobicContact CB-CZ 4.23Å; A822-F877 HydrophobicContact CB-CE1 4.35Å; A822-F877 HydrophobicContact CB-CE2 4.04Å; A822-F877 HydrophobicContact CB-CZ 3.69Å; Y825-F877 HydrophobicContact CD1-CB 4.06Å; Y825-F877 AromaticContact CD1-CD2 3.84Å; Y825-F877 HydrophobicContact CD1-CD2 3.84Å; Y825-F877 HydrophobicContact CD1-CG 4.32Å; Y825-F877 HydrophobicContact CE1-CB 3.83Å; Y825-F877 HydrophobicContact CE1-CD2 4.43Å; Y825-F877 HydrophobicContact CG-CD2 4.11Å; F826-F877 HydrophobicContact CE2-CB 4.06Å; F826-F877 HydrophobicContact CE2-CD1 4.14Å; F826-F877 HydrophobicContact CE2-CD2 4.05Å; F826-F877 AromaticContact CE2-CG 3.8Å; F826-F877 HydrophobicContact CE2-CG 3.8Å; F826-F877 HydrophobicContact CZ-CB 3.71Å; F826-F877 HydrophobicContact CZ-CD1 4.46Å; F826-F877 AromaticContact CZ-CG 3.99Å; F826-F877 HydrophobicContact CZ-CG 3.99Å; C873-F877 PolarHBondContact O-N 2.98Å; I874-F877 WeakPolarHBondContact O-CB 3.14Å; I874-F877 PolarHBondContact O-N 3.39Å; Q875-F877 VanDerWaalsContact C-N 3.33Å; Q875-F877 PolarHBondContact O-N 3.43Å; F877-I881 HydrophobicContact CD2-CB 4.03Å; F877-I881 HydrophobicContact CD2-CG2 4.06Å; F877-I881 HydrophobicContact CE2-CG2 4.15Å; F877-I881 WeakPolarHBondContact O-CB 3.48Å; F877-I881 PolarHBondContact O-N 2.99Å; F877-I881 VanDerWaalsContact O-N 3.16Å; F877-A882 WeakPolarHBondContact O-CB 3.2Å; F877-A882 PolarHBondContact O-N 3.14Å |
| 878 | W | 88.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -71.8 | -35.4 | -178.3 | -71.8 | 118.3 | 0 | 0 | 0 | 114.4 | E798 I814 L818 L838 T854 L856 I874 Q875 A882 P883 F951 Y955 L956 | E798-W878 WeakPolarHBondContact OE1-CZ2 3.31Å; E798-W878 PolarHBondContact OE1-NE1 2.62Å; E798-W878 VanDerWaalsContact OE1-NE1 3.12Å; E798-W878 VanDerWaalsContact OE2-CZ2 3.26Å; E798-W878 WeakPolarHBondContact OE2-CZ2 3.21Å; I814-W878 HydrophobicContact CG2-CZ3 4.5Å; L818-W878 HydrophobicContact CD1-CE3 4.33Å; L818-W878 HydrophobicContact CD1-CH2 4.25Å; L818-W878 HydrophobicContact CD1-CZ3 3.55Å; L838-W878 HydrophobicContact CD1-CH2 4.1Å; L838-W878 HydrophobicContact CD1-CZ2 4.08Å; T854-W878 HydrophobicContact CG2-CH2 4.02Å; T854-W878 HydrophobicContact CG2-CZ2 4.43Å; L856-W878 HydrophobicContact CB-CZ2 4.47Å; I874-W878 VanDerWaalsContact O-CD1 3.29Å; I874-W878 PolarHBondContact O-N 3.41Å; Q875-W878 PolarHBondContact O-N 2.91Å; W878-A882 HydrophobicContact CE3-CB 4.05Å; W878-P883 VanDerWaalsContact O-CD 3.32Å; W878-P883 WeakPolarHBondContact O-CD 3.32Å; W878-F951 AromaticContact CE3-CE2 3.89Å; W878-F951 HydrophobicContact CE3-CE2 3.89Å; W878-F951 AromaticContact CE3-CZ 3.88Å; W878-F951 HydrophobicContact CE3-CZ 3.88Å; W878-F951 AromaticContact CZ3-CE2 3.91Å; W878-F951 HydrophobicContact CZ3-CE2 3.91Å; W878-F951 HydrophobicContact CZ3-CZ 4.37Å; W878-Y955 AromaticContact CE3-CD1 3.94Å; W878-Y955 HydrophobicContact CE3-CD1 3.94Å; W878-Y955 AromaticContact CH2-CD1 3.8Å; W878-Y955 HydrophobicContact CH2-CD1 3.8Å; W878-Y955 AromaticContact CH2-CE1 3.79Å; W878-Y955 HydrophobicContact CH2-CE1 3.79Å; W878-Y955 AromaticContact CZ3-CD1 3.44Å; W878-Y955 HydrophobicContact CZ3-CD1 3.44Å; W878-Y955 VanDerWaalsContact CZ3-CD1 3.44Å; W878-Y955 AromaticContact CZ3-CE1 3.81Å; W878-Y955 HydrophobicContact CZ3-CE1 3.81Å; W878-Y955 HydrophobicContact CZ3-CG 4.49Å; W878-L956 WeakPolarHBondContact O-CD2 3.39Å |
| 879 | N | 86.6 | Confident | 84.5 | Confident | 81 Ų | 81 | 35.4 Ų | 35.4 | 43% | 0.433 | 19% | 0.185 | S | C | . | . | I | π-helix | trans | -88.7 | -26.7 | -173.6 | -63.8 | -19.2 | 0 | 0 | 0 | 113.1 | Q875 P883 L956 | Q875-N879 WeakPolarHBondContact O-CB 3.38Å; Q875-N879 PolarHBondContact O-N 3.37Å; Q875-N879 PolarHBondContact O-ND2 3Å; N879-P883 WeakPolarHBondContact O-CG 3.2Å; N879-L956 WeakPolarHBondContact OD1-CD2 3.28Å |
| 880 | E | 86 | Confident | 84.7 | Confident | 84 Ų | 84 | 36.3 Ų | 36.3 | 39% | 0.393 | 20% | 0.195 | S | C | . | . | I | π-helix | trans | -121.3 | -43.3 | -174.6 | -58.6 | -162.2 | 177.9 | 0 | 0 | 113.9 | T876 R884 | T876-E880 HydrophobicContact CG2-CB 4.41Å; T876-E880 HydrophobicContact CG2-CG 4.47Å; T876-E880 WeakPolarHBondContact O-CA 3.44Å; T876-E880 WeakPolarHBondContact O-CB 3.25Å; T876-E880 PolarHBondContact O-N 3.08Å; E880-R884 VanDerWaalsContact O-CD 3.24Å; E880-R884 WeakPolarHBondContact O-CD 3.46Å; E880-R884 WeakPolarHBondContact O-CG 3.4Å; E880-R884 PolarHBondContact O-NE 3.47Å |
| 881 | I | 87.2 | Confident | 84.8 | Confident | 26 Ų | 26 | 40.9 Ų | 40.9 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -79.5 | -57.7 | -175.8 | -56.5 | -68.3 | 0 | 0 | 0 | 110.6 | Y825 T876 F877 P883 R884 V885 | Y825-I881 HydrophobicContact CD2-CD1 4.28Å; Y825-I881 HydrophobicContact CD2-CG1 4.1Å; Y825-I881 HydrophobicContact CE2-CD1 4.17Å; Y825-I881 HydrophobicContact CE2-CG1 3.96Å; T876-I881 PolarHBondContact O-N 2.82Å; F877-I881 HydrophobicContact CD2-CB 4.03Å; F877-I881 HydrophobicContact CD2-CG2 4.06Å; F877-I881 HydrophobicContact CE2-CG2 4.15Å; F877-I881 WeakPolarHBondContact O-CB 3.48Å; F877-I881 PolarHBondContact O-N 2.99Å; F877-I881 VanDerWaalsContact O-N 3.16Å; I881-P883 VanDerWaalsContact C-CD 3.47Å; I881-R884 WeakPolarHBondContact O-CB 3.35Å; I881-R884 PolarHBondContact O-N 3.43Å; I881-R884 VanDerWaalsContact O-N 3.09Å; I881-V885 HydrophobicContact CG2-CG2 4.15Å; I881-V885 WeakPolarHBondContact O-CG2 3.47Å; I881-V885 PolarHBondContact O-N 3.07Å |
| 882 | A | 88.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56 | -44.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L818 F877 W878 R884 V885 I886 F951 | L818-A882 HydrophobicContact CD1-CB 3.67Å; L818-A882 HydrophobicContact CD2-CB 3.89Å; L818-A882 HydrophobicContact CG-CB 4.47Å; F877-A882 WeakPolarHBondContact O-CB 3.2Å; F877-A882 PolarHBondContact O-N 3.14Å; W878-A882 HydrophobicContact CE3-CB 4.05Å; A882-R884 VanDerWaalsContact C-N 3.29Å; A882-R884 PolarHBondContact O-N 3.15Å; A882-V885 PolarHBondContact O-N 3.45Å; A882-I886 WeakPolarHBondContact O-CD1 3.37Å; A882-I886 VanDerWaalsContact O-CG1 3.27Å; A882-I886 WeakPolarHBondContact O-CG1 3.48Å; A882-I886 PolarHBondContact O-N 2.87Å; A882-F951 HydrophobicContact CB-CE1 4.46Å; A882-F951 HydrophobicContact CB-CE2 3.97Å; A882-F951 HydrophobicContact CB-CZ 3.55Å |
| 883 | P | 87.6 | Confident | 84.7 | Confident | 7 Ų | 7 | 45.6 Ų | 45.6 | 5% | 0.045 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.8 | -35.2 | 178.1 | -13.6 | 25.1 | 0 | 0 | 0 | 112.3 | W878 N879 I881 A887 F951 | W878-P883 VanDerWaalsContact O-CD 3.32Å; W878-P883 WeakPolarHBondContact O-CD 3.32Å; N879-P883 WeakPolarHBondContact O-CG 3.2Å; I881-P883 VanDerWaalsContact C-CD 3.47Å; P883-A887 WeakPolarHBondContact O-CB 3.14Å; P883-A887 PolarHBondContact O-N 3.15Å; P883-F951 HydrophobicContact CB-CE1 4.37Å; P883-F951 HydrophobicContact CG-CE1 3.84Å |
| 884 | R | 85.5 | Confident | 84.6 | Confident | 132 Ų | 132 | 46 Ų | 46 | 50% | 0.498 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.2 | -44.8 | 177.5 | -69 | 177.1 | -169.9 | -156.1 | 5.7 | 110.9 | E880 I881 A882 I886 A887 C888 | E880-R884 VanDerWaalsContact O-CD 3.24Å; E880-R884 WeakPolarHBondContact O-CD 3.46Å; E880-R884 WeakPolarHBondContact O-CG 3.4Å; E880-R884 PolarHBondContact O-NE 3.47Å; I881-R884 WeakPolarHBondContact O-CB 3.35Å; I881-R884 PolarHBondContact O-N 3.43Å; I881-R884 VanDerWaalsContact O-N 3.09Å; A882-R884 VanDerWaalsContact C-N 3.29Å; A882-R884 PolarHBondContact O-N 3.15Å; R884-I886 VanDerWaalsContact C-N 3.33Å; R884-I886 PolarHBondContact O-N 3.36Å; R884-A887 PolarHBondContact O-N 2.97Å; R884-C888 WeakPolarHBondContact O-CB 3.33Å; R884-C888 PolarHBondContact O-N 2.96Å; R884-C888 PolarHBondContact O-SG 3.39Å |
| 885 | V | 85.9 | Confident | 84.3 | Confident | 24 Ų | 24 | 51.1 Ų | 51.1 | 15% | 0.145 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.9 | -47.2 | 176.1 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | L817 L818 I881 A882 A887 C888 M889 | L817-V885 HydrophobicContact CD1-CG1 4.21Å; L817-V885 HydrophobicContact CD2-CG1 4.19Å; L817-V885 HydrophobicContact CG-CG1 4.01Å; L818-V885 HydrophobicContact CD2-CB 4.04Å; L818-V885 HydrophobicContact CD2-CG1 3.96Å; I881-V885 HydrophobicContact CG2-CG2 4.15Å; I881-V885 WeakPolarHBondContact O-CG2 3.47Å; I881-V885 PolarHBondContact O-N 3.07Å; A882-V885 PolarHBondContact O-N 3.45Å; V885-A887 PolarHBondContact O-N 3.27Å; V885-C888 PolarHBondContact O-N 3.49Å; V885-M889 PolarHBondContact O-N 3.19Å; V885-M889 VanDerWaalsContact O-N 3.12Å |
| 886 | I | 85.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.5 | -39 | 178.8 | -61.8 | 163.5 | 0 | 0 | 0 | 111.4 | I814 L817 A882 R884 L947 L948 F951 | I814-I886 HydrophobicContact CG1-CD1 4.48Å; L817-I886 HydrophobicContact CD2-CB 4.44Å; L817-I886 HydrophobicContact CD2-CG1 3.78Å; A882-I886 WeakPolarHBondContact O-CD1 3.37Å; A882-I886 VanDerWaalsContact O-CG1 3.27Å; A882-I886 WeakPolarHBondContact O-CG1 3.48Å; A882-I886 PolarHBondContact O-N 2.87Å; R884-I886 VanDerWaalsContact C-N 3.33Å; R884-I886 PolarHBondContact O-N 3.36Å; I886-L947 HydrophobicContact CG2-CD2 3.91Å; I886-L947 HydrophobicContact CG2-CG 4.32Å; I886-L948 HydrophobicContact CB-CD1 3.9Å; I886-L948 HydrophobicContact CG2-CB 4.31Å; I886-L948 HydrophobicContact CG2-CD1 3.58Å; I886-F951 HydrophobicContact CD1-CB 4.03Å; I886-F951 HydrophobicContact CD1-CD1 4.17Å; I886-F951 HydrophobicContact CD1-CD2 3.21Å; I886-F951 HydrophobicContact CD1-CE2 3.63Å; I886-F951 HydrophobicContact CD1-CG 3.52Å; I886-F951 HydrophobicContact CD1-CZ 4.28Å |
| 887 | A | 84.2 | Confident | 83.5 | Confident | 43 Ų | 43 | 51.2 Ų | 51.2 | 36% | 0.355 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -73.5 | -29.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | P883 R884 V885 R944 L948 | P883-A887 WeakPolarHBondContact O-CB 3.14Å; P883-A887 PolarHBondContact O-N 3.15Å; R884-A887 PolarHBondContact O-N 2.97Å; V885-A887 PolarHBondContact O-N 3.27Å; A887-R944 PolarHBondContact O-NH1 3.29Å; A887-L948 HydrophobicContact CB-CD1 4.22Å |
| 888 | C | 83.4 | Confident | 83 | Confident | 106 Ų | 106 | 51.6 Ų | 51.6 | 72% | 0.716 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -86.5 | -14.3 | 178.2 | -67.8 | 0 | 0 | 0 | 0 | 113.2 | R884 V885 D890 | R884-C888 WeakPolarHBondContact O-CB 3.33Å; R884-C888 PolarHBondContact O-N 2.96Å; R884-C888 PolarHBondContact O-SG 3.39Å; V885-C888 PolarHBondContact O-N 3.49Å; C888-D890 PolarHBondContact O-N 2.97Å |
| 889 | M | 82.2 | Confident | 82.3 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 3% | 0.034 | 29% | 0.286 | C | S | . | . | trans | -58.1 | 127.3 | 174.7 | -178.2 | 177.3 | 57.7 | 0 | 0 | 110.3 | L817 V885 H893 F894 I897 R944 L947 | L817-M889 HydrophobicContact CD1-SD 3.94Å; L817-M889 HydrophobicContact CD2-CE 4.24Å; L817-M889 HydrophobicContact CD2-SD 3.86Å; L817-M889 HydrophobicContact CG-SD 4.49Å; V885-M889 PolarHBondContact O-N 3.19Å; V885-M889 VanDerWaalsContact O-N 3.12Å; M889-H893 HydrophobicContact CG-CB 4.07Å; M889-F894 HydrophobicContact CE-CB 3.83Å; M889-F894 HydrophobicContact CE-CD2 3.48Å; M889-F894 VanDerWaalsContact CE-CD2 3.48Å; M889-F894 HydrophobicContact CE-CE2 4.44Å; M889-F894 HydrophobicContact CE-CG 4.05Å; M889-F894 HydrophobicContact CG-CB 4.38Å; M889-F894 HydrophobicContact SD-CB 3.97Å; M889-F894 HydrophobicContact SD-CD2 4.27Å; M889-I897 HydrophobicContact SD-CD1 4.1Å; M889-R944 HydrophobicContact CE-CG 4.11Å; M889-R944 WeakPolarHBondContact O-CD 3.43Å; M889-R944 PolarHBondContact O-NH1 3.01Å; M889-L947 HydrophobicContact CE-CD2 3.71Å | ||
| 890 | D | 82.2 | Confident | 81.6 | Confident | 89 Ų | 89 | 54.3 Ų | 54.3 | 48% | 0.476 | 29% | 0.287 | S | S | . | . | trans | -80 | 165.1 | 173.5 | 72.3 | 64.7 | 0 | 0 | 0 | 111.9 | C888 N892 H893 F894 | C888-D890 PolarHBondContact O-N 2.97Å; D890-N892 VanDerWaalsContact C-N 3.33Å; D890-N892 PolarHBondContact O-N 3.42Å; D890-N892 WeakPolarHBondContact OD1-CA 3.49Å; D890-N892 VanDerWaalsContact OD1-CB 3.3Å; D890-N892 WeakPolarHBondContact OD1-CB 3.34Å; D890-N892 PolarHBondContact OD1-N 3.13Å; D890-H893 PolarHBondContact O-N 2.82Å; D890-H893 PolarHBondContact OD1-N 2.96Å; D890-F894 PolarHBondContact O-N 2.87Å | ||
| 891 | N | 80.6 | Confident | 81 | Confident | 103 Ų | 103 | 51 Ų | 51 | 55% | 0.551 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67.9 | -29.8 | -176.1 | -71.8 | -20.5 | 0 | 0 | 0 | 113.5 | E895 | N891-E895 PolarHBondContact O-N 3.17Å |
| 892 | N | 76.5 | Confident | 80.3 | Confident | 112 Ų | 112 | 50 Ų | 50 | 60% | 0.599 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -69.3 | -45 | 176.8 | -81.8 | -25 | 0 | 0 | 0 | 110.2 | D890 F894 E895 Q896 | D890-N892 VanDerWaalsContact C-N 3.33Å; D890-N892 PolarHBondContact O-N 3.42Å; D890-N892 WeakPolarHBondContact OD1-CA 3.49Å; D890-N892 VanDerWaalsContact OD1-CB 3.3Å; D890-N892 WeakPolarHBondContact OD1-CB 3.34Å; D890-N892 PolarHBondContact OD1-N 3.13Å; N892-F894 VanDerWaalsContact C-N 3.32Å; N892-F894 PolarHBondContact O-N 3.33Å; N892-E895 PolarHBondContact O-N 3.45Å; N892-Q896 WeakPolarHBondContact O-CB 3.36Å; N892-Q896 VanDerWaalsContact O-CG 3.3Å; N892-Q896 WeakPolarHBondContact O-CG 3.44Å; N892-Q896 PolarHBondContact O-N 3.37Å |
| 893 | H | 77.9 | Confident | 79.3 | Confident | 53 Ų | 53 | 51.3 Ų | 51.3 | 25% | 0.245 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 176.8 | -169.8 | -176.8 | 0 | 0 | 0 | 110.8 | M889 D890 Q896 I897 | M889-H893 HydrophobicContact CG-CB 4.07Å; D890-H893 PolarHBondContact O-N 2.82Å; D890-H893 PolarHBondContact OD1-N 2.96Å; H893-Q896 PolarHBondContact O-N 2.97Å; H893-I897 WeakPolarHBondContact O-CG1 3.45Å; H893-I897 PolarHBondContact O-N 2.81Å |
| 894 | F | 82.4 | Confident | 78.4 | Confident | 12 Ų | 12 | 56.4 Ų | 56.4 | 5% | 0.053 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.6 | -49.5 | 173.4 | 178.1 | -110.3 | 0 | 0 | 0 | 112.7 | I813 M889 D890 N892 Q896 I897 C898 M942 L947 | I813-F894 HydrophobicContact CD1-CE2 4.01Å; I813-F894 HydrophobicContact CD1-CZ 4.43Å; I813-F894 HydrophobicContact CG2-CD2 4.42Å; I813-F894 HydrophobicContact CG2-CE2 4.22Å; M889-F894 HydrophobicContact CE-CB 3.83Å; M889-F894 HydrophobicContact CE-CD2 3.48Å; M889-F894 VanDerWaalsContact CE-CD2 3.48Å; M889-F894 HydrophobicContact CE-CE2 4.44Å; M889-F894 HydrophobicContact CE-CG 4.05Å; M889-F894 HydrophobicContact CG-CB 4.38Å; M889-F894 HydrophobicContact SD-CB 3.97Å; M889-F894 HydrophobicContact SD-CD2 4.27Å; D890-F894 PolarHBondContact O-N 2.87Å; N892-F894 VanDerWaalsContact C-N 3.32Å; N892-F894 PolarHBondContact O-N 3.33Å; F894-Q896 VanDerWaalsContact C-N 3.28Å; F894-Q896 PolarHBondContact O-N 3.25Å; F894-I897 PolarHBondContact O-N 3.25Å; F894-C898 VanDerWaalsContact CZ-SG 3.59Å; F894-C898 WeakPolarHBondContact O-CB 3.4Å; F894-C898 PolarHBondContact O-N 2.67Å; F894-C898 PolarHBondContact O-SG 2.88Å; F894-M942 HydrophobicContact CE1-CB 4.39Å; F894-M942 HydrophobicContact CZ-CB 4.07Å; F894-L947 HydrophobicContact CD2-CD2 4.23Å; F894-L947 HydrophobicContact CE2-CB 4.41Å; F894-L947 HydrophobicContact CE2-CD2 3.96Å |
| 895 | E | 79.5 | Confident | 77.4 | Confident | 109 Ų | 109 | 51.4 Ų | 51.4 | 51% | 0.509 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 177.2 | -90.4 | -159.8 | 144.6 | 0 | 0 | 112.2 | N891 N892 C898 N899 | N891-E895 PolarHBondContact O-N 3.17Å; N892-E895 PolarHBondContact O-N 3.45Å; E895-C898 PolarHBondContact O-N 3.01Å; E895-N899 VanDerWaalsContact O-CB 3.3Å; E895-N899 WeakPolarHBondContact O-CB 3.42Å; E895-N899 PolarHBondContact O-N 3.34Å; E895-N899 PolarHBondContact O-ND2 3.18Å |
| 896 | Q | 75.3 | Confident | 76.3 | Confident | 71 Ų | 71 | 52.8 Ų | 52.8 | 33% | 0.332 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.5 | -50 | 176.4 | -77.7 | 178.1 | -3.4 | 0 | 0 | 111.5 | N102 N892 H893 F894 C898 N899 T900 | N102-Q896 PolarHBondContact ND2-OE1 3.29Å; N892-Q896 WeakPolarHBondContact O-CB 3.36Å; N892-Q896 VanDerWaalsContact O-CG 3.3Å; N892-Q896 WeakPolarHBondContact O-CG 3.44Å; N892-Q896 PolarHBondContact O-N 3.37Å; H893-Q896 PolarHBondContact O-N 2.97Å; F894-Q896 VanDerWaalsContact C-N 3.28Å; F894-Q896 PolarHBondContact O-N 3.25Å; Q896-C898 VanDerWaalsContact C-N 3.3Å; Q896-C898 PolarHBondContact O-N 3.46Å; Q896-N899 PolarHBondContact O-N 3.31Å; Q896-T900 PolarHBondContact O-N 2.85Å; Q896-T900 PolarHBondContact O-OG1 3.05Å |
| 897 | I | 78.7 | Confident | 75.2 | Confident | 16 Ų | 16 | 54.6 Ų | 54.6 | 8% | 0.082 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.8 | -45.2 | 176.6 | -65.7 | 173 | 0 | 0 | 0 | 110.2 | I813 L817 M889 H893 F894 N899 T900 I901 | I813-I897 HydrophobicContact CB-CG2 4.39Å; I813-I897 HydrophobicContact CG1-CG2 4.25Å; I813-I897 HydrophobicContact CG2-CG2 4.08Å; L817-I897 HydrophobicContact CB-CD1 3.97Å; L817-I897 HydrophobicContact CD1-CD1 3.79Å; L817-I897 HydrophobicContact CG-CD1 4.44Å; M889-I897 HydrophobicContact SD-CD1 4.1Å; H893-I897 WeakPolarHBondContact O-CG1 3.45Å; H893-I897 PolarHBondContact O-N 2.81Å; F894-I897 PolarHBondContact O-N 3.25Å; I897-N899 PolarHBondContact O-N 3.46Å; I897-T900 PolarHBondContact O-N 3.45Å; I897-I901 HydrophobicContact CG2-CD1 3.68Å; I897-I901 HydrophobicContact CG2-CG1 4.39Å; I897-I901 WeakPolarHBondContact O-CG1 3.4Å; I897-I901 PolarHBondContact O-N 2.94Å |
| 898 | C | 78.9 | Confident | 73.8 | Confident | 9 Ų | 9 | 57.3 Ų | 57.3 | 6% | 0.061 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.1 | -50.2 | 176.5 | -68.6 | 0 | 0 | 0 | 0 | 111.3 | I813 F894 E895 Q896 T900 I901 I902 | I813-C898 VanDerWaalsContact CD1-SG 3.6Å; F894-C898 VanDerWaalsContact CZ-SG 3.59Å; F894-C898 WeakPolarHBondContact O-CB 3.4Å; F894-C898 PolarHBondContact O-N 2.67Å; F894-C898 PolarHBondContact O-SG 2.88Å; E895-C898 PolarHBondContact O-N 3.01Å; Q896-C898 VanDerWaalsContact C-N 3.3Å; Q896-C898 PolarHBondContact O-N 3.46Å; C898-T900 VanDerWaalsContact C-N 3.32Å; C898-T900 PolarHBondContact O-N 3.03Å; C898-I901 PolarHBondContact O-N 3.17Å; C898-I902 VanDerWaalsContact O-CB 3.29Å; C898-I902 WeakPolarHBondContact O-CB 3.3Å; C898-I902 WeakPolarHBondContact O-CG1 3.49Å; C898-I902 PolarHBondContact O-N 2.95Å |
| 899 | N | 74.2 | Confident | 72.6 | Confident | 63 Ų | 63 | 54.8 Ų | 54.8 | 34% | 0.337 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 179.4 | -73.3 | -40 | 0 | 0 | 0 | 111 | E895 Q896 I897 I902 S903 K939 | E895-N899 VanDerWaalsContact O-CB 3.3Å; E895-N899 WeakPolarHBondContact O-CB 3.42Å; E895-N899 PolarHBondContact O-N 3.34Å; E895-N899 PolarHBondContact O-ND2 3.18Å; Q896-N899 PolarHBondContact O-N 3.31Å; I897-N899 PolarHBondContact O-N 3.46Å; N899-I902 PolarHBondContact O-N 3.34Å; N899-S903 WeakPolarHBondContact O-CB 3.47Å; N899-S903 PolarHBondContact O-N 3.3Å; N899-S903 PolarHBondContact O-OG 3.34Å; N899-K939 VanDerWaalsContact OD1-CE 3.28Å; N899-K939 WeakPolarHBondContact OD1-CE 3.41Å; N899-K939 PolarHBondContact OD1-NZ 2.9Å |
| 900 | T | 72.1 | Confident | 71.5 | Confident | 75 Ų | 75 | 59.9 Ų | 59.9 | 46% | 0.46 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.1 | -53.1 | 175.9 | -61.5 | 0 | 0 | 0 | 0 | 111.1 | Q896 I897 C898 I902 S903 N904 | Q896-T900 PolarHBondContact O-N 2.85Å; Q896-T900 PolarHBondContact O-OG1 3.05Å; I897-T900 PolarHBondContact O-N 3.45Å; C898-T900 VanDerWaalsContact C-N 3.32Å; C898-T900 PolarHBondContact O-N 3.03Å; T900-I902 PolarHBondContact O-N 2.62Å; T900-S903 PolarHBondContact O-N 3.24Å; T900-S903 VanDerWaalsContact O-N 3.15Å; T900-S903 PolarHBondContact O-OG 3.31Å; T900-N904 PolarHBondContact O-N 2.65Å; T900-N904 VanDerWaalsContact O-N 3.09Å; T900-N904 PolarHBondContact O-OD1 2.62Å |
| 901 | I | 73.1 | Confident | 70.8 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63 | -46.1 | -179.5 | -62.7 | 165.1 | 0 | 0 | 0 | 110.9 | F809 K812 I813 I897 C898 S903 N904 E905 | F809-I901 HydrophobicContact CD2-CG2 4.29Å; F809-I901 HydrophobicContact CE1-CB 4.06Å; F809-I901 HydrophobicContact CE1-CG2 3.9Å; F809-I901 HydrophobicContact CE2-CB 4.39Å; F809-I901 HydrophobicContact CE2-CG2 3.55Å; F809-I901 HydrophobicContact CZ-CB 3.65Å; F809-I901 HydrophobicContact CZ-CG2 3.29Å; K812-I901 HydrophobicContact CB-CD1 3.96Å; K812-I901 HydrophobicContact CB-CG2 4.07Å; K812-I901 HydrophobicContact CD-CG2 3.86Å; I813-I901 HydrophobicContact CB-CD1 4.23Å; I813-I901 HydrophobicContact CG1-CD1 3.54Å; I897-I901 HydrophobicContact CG2-CD1 3.68Å; I897-I901 HydrophobicContact CG2-CG1 4.39Å; I897-I901 WeakPolarHBondContact O-CG1 3.4Å; I897-I901 PolarHBondContact O-N 2.94Å; C898-I901 PolarHBondContact O-N 3.17Å; I901-S903 PolarHBondContact O-N 3.03Å; I901-N904 WeakPolarHBondContact O-CB 3.4Å; I901-N904 PolarHBondContact O-N 3.31Å; I901-N904 VanDerWaalsContact O-N 3.1Å; I901-E905 PolarHBondContact O-N 3.48Å |
| 902 | I | 72.3 | Confident | 70.7 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.6 | -42 | 176.8 | -74.1 | 171.4 | 0 | 0 | 0 | 109.8 | F809 C898 N899 T900 N904 E905 I906 K935 K939 | F809-I902 HydrophobicContact CE1-CG1 4.14Å; F809-I902 HydrophobicContact CE2-CG1 4.18Å; F809-I902 HydrophobicContact CZ-CB 4.33Å; F809-I902 HydrophobicContact CZ-CD1 4.48Å; F809-I902 HydrophobicContact CZ-CG1 3.44Å; F809-I902 VanDerWaalsContact CZ-CG1 3.44Å; C898-I902 VanDerWaalsContact O-CB 3.29Å; C898-I902 WeakPolarHBondContact O-CB 3.3Å; C898-I902 WeakPolarHBondContact O-CG1 3.49Å; C898-I902 PolarHBondContact O-N 2.95Å; N899-I902 PolarHBondContact O-N 3.34Å; T900-I902 PolarHBondContact O-N 2.62Å; I902-N904 PolarHBondContact O-N 3.38Å; I902-E905 PolarHBondContact O-N 2.97Å; I902-E905 VanDerWaalsContact O-N 3.08Å; I902-I906 HydrophobicContact CG2-CD1 4.32Å; I902-K935 HydrophobicContact CD1-CG 4.3Å; I902-K935 HydrophobicContact CG2-CB 4.1Å; I902-K935 HydrophobicContact CG2-CD 3.32Å; I902-K935 HydrophobicContact CG2-CG 3.5Å; I902-K935 VanDerWaalsContact CG2-CG 3.5Å; I902-K939 HydrophobicContact CD1-CD 4.47Å; I902-K939 HydrophobicContact CD1-CG 3.81Å |
| 903 | S | 67.8 | Low | 70.8 | Confident | 28 Ų | 28 | 51 Ų | 51 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.8 | -22.4 | -175.9 | 90.1 | 0 | 0 | 0 | 0 | 112.8 | N899 T900 I901 E905 I906 K908 | N899-S903 WeakPolarHBondContact O-CB 3.47Å; N899-S903 PolarHBondContact O-N 3.3Å; N899-S903 PolarHBondContact O-OG 3.34Å; T900-S903 PolarHBondContact O-N 3.24Å; T900-S903 VanDerWaalsContact O-N 3.15Å; T900-S903 PolarHBondContact O-OG 3.31Å; I901-S903 PolarHBondContact O-N 3.03Å; S903-E905 VanDerWaalsContact C-N 3.32Å; S903-I906 VanDerWaalsContact O-O 3.11Å; S903-K908 VanDerWaalsContact O-CE 3.31Å; S903-K908 WeakPolarHBondContact O-CE 3.36Å; S903-K908 PolarHBondContact OG-NZ 2.99Å |
| 904 | N | 67.7 | Low | 70.8 | Confident | 114 Ų | 114 | 52.6 Ų | 52.6 | 61% | 0.61 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -77.6 | -17.1 | 170.5 | -66.1 | -13.4 | 0 | 0 | 0 | 112.7 | T900 I901 I902 I906 | T900-N904 PolarHBondContact O-N 2.65Å; T900-N904 VanDerWaalsContact O-N 3.09Å; T900-N904 PolarHBondContact O-OD1 2.62Å; I901-N904 WeakPolarHBondContact O-CB 3.4Å; I901-N904 PolarHBondContact O-N 3.31Å; I901-N904 VanDerWaalsContact O-N 3.1Å; I902-N904 PolarHBondContact O-N 3.38Å; N904-I906 VanDerWaalsContact C-N 3.32Å |
| 905 | E | 64.2 | Low | 70.7 | Confident | 28 Ų | 28 | 52.3 Ų | 52.3 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 1.3 | 173.8 | -61.2 | -158.2 | 159.8 | 0 | 0 | 113.3 | K812 I901 I902 S903 F918 | K812-E905 IonicContact NZ-OE1 4Å; K812-E905 PolarHBondContact NZ-OE1 3.44Å; I901-E905 PolarHBondContact O-N 3.48Å; I902-E905 PolarHBondContact O-N 2.97Å; I902-E905 VanDerWaalsContact O-N 3.08Å; S903-E905 VanDerWaalsContact C-N 3.32Å; E905-F918 WeakPolarHBondContact O-CZ 3.12Å |
| 906 | I | 63.4 | Low | 71.1 | Confident | 53 Ų | 53 | 47.1 Ų | 47.1 | 27% | 0.272 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -119 | 129.7 | 178.2 | -62.9 | 173.2 | 0 | 0 | 0 | 108.3 | I902 S903 N904 K908 K935 | I902-I906 HydrophobicContact CG2-CD1 4.32Å; S903-I906 VanDerWaalsContact O-O 3.11Å; N904-I906 VanDerWaalsContact C-N 3.32Å; I906-K908 PolarHBondContact O-N 2.89Å; I906-K908 VanDerWaalsContact O-N 3.14Å; I906-K935 HydrophobicContact CD1-CD 3.69Å |
| 907 | V | 61.9 | Low | 71.6 | Confident | 38 Ų | 38 | 46.6 Ų | 46.6 | 23% | 0.23 | 25% | 0.245 | C | C | . | . | trans | -65 | 113.4 | 171.6 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | I915 F918 Y919 | V907-I915 HydrophobicContact CG1-CB 4.15Å; V907-I915 HydrophobicContact CG1-CG1 3.6Å; V907-I915 HydrophobicContact CG1-CG2 4.17Å; V907-F918 HydrophobicContact CG2-CB 4.19Å; V907-F918 HydrophobicContact CG2-CD1 3.09Å; V907-F918 HydrophobicContact CG2-CD2 4.3Å; V907-F918 HydrophobicContact CG2-CE1 3.38Å; V907-F918 HydrophobicContact CG2-CG 3.61Å; V907-F918 HydrophobicContact CG2-CZ 4.09Å; V907-Y919 HydrophobicContact CG2-CE1 4.42Å; V907-Y919 HydrophobicContact CG2-CE2 3.97Å | ||
| 908 | K | 55.6 | Low | 71.8 | Confident | 99 Ų | 99 | 48.1 Ų | 48.1 | 43% | 0.43 | 25% | 0.251 | S | S | . | . | trans | -101.8 | -4.9 | 176.7 | -62.2 | -172.7 | -169.9 | 176.9 | 0 | 113.9 | S53 S903 I906 | S53-K908 PolarHBondContact OG-NZ 3.24Å; S53-K908 VanDerWaalsContact OG-NZ 3.16Å; S903-K908 VanDerWaalsContact O-CE 3.31Å; S903-K908 WeakPolarHBondContact O-CE 3.36Å; S903-K908 PolarHBondContact OG-NZ 2.99Å; I906-K908 PolarHBondContact O-N 2.89Å; I906-K908 VanDerWaalsContact O-N 3.14Å | ||
| 909 | N | 57.9 | Low | 72.2 | Confident | 54 Ų | 54 | 49 Ų | 49 | 29% | 0.289 | 25% | 0.253 | S | S | . | . | trans | -101.6 | 144.7 | -169 | -146.7 | -51.6 | 0 | 0 | 0 | 110.8 | T427 N911 L914 I915 | T427-N909 VanDerWaalsContact CG2-ND2 3.29Å; T427-N909 WeakPolarHBondContact CG2-ND2 3.24Å; N909-N911 VanDerWaalsContact OD1-CB 3.24Å; N909-N911 WeakPolarHBondContact OD1-CB 3.44Å; N909-N911 PolarHBondContact OD1-N 3.32Å; N909-L914 HydrophobicContact CB-CB 4.26Å; N909-L914 HydrophobicContact CB-CD1 4.34Å; N909-L914 WeakPolarHBondContact ND2-CD1 3.37Å; N909-I915 WeakPolarHBondContact O-CD1 3.38Å; N909-I915 WeakPolarHBondContact O-CG1 3.47Å | ||
| 910 | N | 59.5 | Low | 72.9 | Confident | 113 Ų | 113 | 46 Ų | 46 | 60% | 0.604 | 24% | 0.237 | S | C | * | . | trans | -93 | -0.9 | 170.4 | -66.9 | -4.8 | 0 | 0 | 0 | 111.9 | L912 | N910-L912 PolarHBondContact O-N 2.87Š| ||
| 911 | N | 67.4 | Low | 73.4 | Confident | 35 Ų | 35 | 45.4 Ų | 45.4 | 19% | 0.187 | 23% | 0.231 | C | C | . | . | trans | -76.9 | 115.1 | 174.4 | -175.5 | -41.4 | 0 | 0 | 0 | 110.3 | T427 N909 E913 L914 I915 | T427-N911 PolarHBondContact OG1-ND2 3.18Å; N909-N911 VanDerWaalsContact OD1-CB 3.24Å; N909-N911 WeakPolarHBondContact OD1-CB 3.44Å; N909-N911 PolarHBondContact OD1-N 3.32Å; N911-E913 VanDerWaalsContact C-N 3.26Å; N911-E913 PolarHBondContact O-N 3.4Å; N911-E913 VanDerWaalsContact OD1-CB 3.29Å; N911-E913 WeakPolarHBondContact OD1-CB 3.48Å; N911-E913 PolarHBondContact OD1-N 3.08Å; N911-L914 HydrophobicContact CB-CB 4.44Å; N911-L914 HydrophobicContact CB-CD1 4.21Å; N911-L914 HydrophobicContact CB-CG 4.44Å; N911-L914 PolarHBondContact O-N 3.34Å; N911-L914 VanDerWaalsContact O-N 3.08Å; N911-I915 VanDerWaalsContact O-CG1 3.25Å; N911-I915 WeakPolarHBondContact O-CG1 3.11Å; N911-I915 PolarHBondContact O-N 2.88Å | ||
| 912 | L | 78 | Confident | 73.7 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -46.6 | -44.6 | 177.5 | -176.3 | 58.9 | 0 | 0 | 0 | 113.6 | F573 E580 Y582 V737 N910 L914 I915 S916 | F573-L912 HydrophobicContact CB-CD1 3.92Å; F573-L912 HydrophobicContact CD1-CB 4.47Å; F573-L912 HydrophobicContact CD1-CD1 3.73Å; F573-L912 HydrophobicContact CE1-CD1 4.45Å; F573-L912 HydrophobicContact CG-CD1 3.87Å; E580-L912 HydrophobicContact CB-CD2 4.39Å; E580-L912 WeakPolarHBondContact O-CD2 3.28Å; Y582-L912 HydrophobicContact CD2-CD2 3.75Å; Y582-L912 HydrophobicContact CD2-CG 3.87Å; Y582-L912 HydrophobicContact CE2-CB 4.5Å; Y582-L912 HydrophobicContact CE2-CD2 3.76Å; Y582-L912 HydrophobicContact CE2-CG 3.88Å; V737-L912 HydrophobicContact CG1-CD1 4.48Å; V737-L912 HydrophobicContact CG2-CD1 3.74Å; N910-L912 PolarHBondContact O-N 2.87Å; L912-L914 PolarHBondContact O-N 3.45Å; L912-I915 PolarHBondContact O-N 3.02Å; L912-S916 WeakPolarHBondContact O-CB 3.32Å; L912-S916 PolarHBondContact O-N 2.77Å; L912-S916 PolarHBondContact O-OG 3.1Å |
| 913 | E | 80.1 | Confident | 74.3 | Confident | 81 Ų | 81 | 47 Ų | 47 | 38% | 0.379 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.5 | -40.8 | -178.4 | -172.9 | 164.2 | -158.1 | 0 | 0 | 112.5 | Y582 K641 N911 S916 Q917 | Y582-E913 HydrophobicContact CE1-CB 4.09Å; Y582-E913 HydrophobicContact CE1-CG 3.91Å; Y582-E913 WeakPolarHBondContact OH-CB 3.23Å; K641-E913 IonicContact NZ-OE1 2.83Å; K641-E913 PolarHBondContact NZ-OE1 3.24Å; K641-E913 IonicContact NZ-OE2 4Å; K641-E913 PolarHBondContact NZ-OE2 3.12Å; N911-E913 VanDerWaalsContact C-N 3.26Å; N911-E913 PolarHBondContact O-N 3.4Å; N911-E913 VanDerWaalsContact OD1-CB 3.29Å; N911-E913 WeakPolarHBondContact OD1-CB 3.48Å; N911-E913 PolarHBondContact OD1-N 3.08Å; E913-S916 WeakPolarHBondContact CA-OG 3.44Å; E913-S916 PolarHBondContact O-OG 3.25Å; E913-Q917 VanDerWaalsContact O-CB 3.22Å; E913-Q917 WeakPolarHBondContact O-CB 3.31Å; E913-Q917 PolarHBondContact O-N 2.61Å |
| 914 | L | 76.4 | Confident | 74.8 | Confident | 86 Ų | 86 | 48.5 Ų | 48.5 | 45% | 0.45 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -74.7 | -39.3 | 179.7 | -69.2 | 173.1 | 0 | 0 | 0 | 111.3 | T427 N909 N911 L912 F918 | T427-L914 HydrophobicContact CG2-CD1 4.19Å; N909-L914 HydrophobicContact CB-CB 4.26Å; N909-L914 HydrophobicContact CB-CD1 4.34Å; N909-L914 WeakPolarHBondContact ND2-CD1 3.37Å; N911-L914 HydrophobicContact CB-CB 4.44Å; N911-L914 HydrophobicContact CB-CD1 4.21Å; N911-L914 HydrophobicContact CB-CG 4.44Å; N911-L914 PolarHBondContact O-N 3.34Å; N911-L914 VanDerWaalsContact O-N 3.08Å; L912-L914 PolarHBondContact O-N 3.45Å; L914-F918 VanDerWaalsContact O-CB 3.28Å; L914-F918 WeakPolarHBondContact O-CB 3.34Å; L914-F918 PolarHBondContact O-N 2.78Å |
| 915 | I | 80.2 | Confident | 74.8 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.3 | -50.1 | 174.2 | -61 | 169.8 | 0 | 0 | 0 | 109.7 | F573 V907 N909 N911 L912 F918 Y919 | F573-I915 HydrophobicContact CD2-CD1 4.23Å; F573-I915 HydrophobicContact CE1-CD1 4.37Å; F573-I915 HydrophobicContact CE2-CD1 3.39Å; F573-I915 HydrophobicContact CZ-CD1 3.48Å; F573-I915 VanDerWaalsContact CZ-CD1 3.48Å; V907-I915 HydrophobicContact CG1-CB 4.15Å; V907-I915 HydrophobicContact CG1-CG1 3.6Å; V907-I915 HydrophobicContact CG1-CG2 4.17Å; N909-I915 WeakPolarHBondContact O-CD1 3.38Å; N909-I915 WeakPolarHBondContact O-CG1 3.47Å; N911-I915 VanDerWaalsContact O-CG1 3.25Å; N911-I915 WeakPolarHBondContact O-CG1 3.11Å; N911-I915 PolarHBondContact O-N 2.88Å; L912-I915 PolarHBondContact O-N 3.02Å; I915-F918 PolarHBondContact O-N 3.35Å; I915-Y919 HydrophobicContact CG2-CD2 3.68Å; I915-Y919 HydrophobicContact CG2-CE2 3.65Å; I915-Y919 VanDerWaalsContact O-CD2 3.31Å; I915-Y919 WeakPolarHBondContact O-CD2 3.44Å; I915-Y919 PolarHBondContact O-N 3.13Å |
| 916 | S | 87.6 | Confident | 75 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.6 | -42.8 | -176 | 65.8 | 0 | 0 | 0 | 0 | 111.4 | Y584 Y735 V737 L912 E913 Y919 W920 | Y584-S916 PolarHBondContact OH-OG 2.81Å; Y735-S916 WeakPolarHBondContact CE1-O 3.34Å; V737-S916 VanDerWaalsContact CG1-CB 3.4Å; L912-S916 WeakPolarHBondContact O-CB 3.32Å; L912-S916 PolarHBondContact O-N 2.77Å; L912-S916 PolarHBondContact O-OG 3.1Å; E913-S916 WeakPolarHBondContact CA-OG 3.44Å; E913-S916 PolarHBondContact O-OG 3.25Å; S916-Y919 PolarHBondContact O-N 3.48Å; S916-W920 WeakPolarHBondContact O-CB 3.39Å; S916-W920 PolarHBondContact O-N 3.39Å |
| 917 | Q | 86.4 | Confident | 74.9 | Confident | 60 Ų | 60 | 48.4 Ų | 48.4 | 28% | 0.28 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63 | -43.9 | 175.3 | -172 | 63.6 | 38.2 | 0 | 0 | 111.7 | Y584 E913 Y919 W920 D921 | Y584-Q917 PolarHBondContact OH-N 3.09Å; E913-Q917 VanDerWaalsContact O-CB 3.22Å; E913-Q917 WeakPolarHBondContact O-CB 3.31Å; E913-Q917 PolarHBondContact O-N 2.61Å; Q917-Y919 PolarHBondContact O-N 2.85Å; Q917-W920 PolarHBondContact O-N 2.86Å; Q917-D921 PolarHBondContact NE2-OD1 3.16Å; Q917-D921 PolarHBondContact O-N 3.07Å |
| 918 | F | 83.4 | Confident | 75.1 | Confident | 48 Ų | 48 | 49 Ų | 49 | 21% | 0.211 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.1 | -50.1 | 177 | 173.1 | -86.7 | 0 | 0 | 0 | 111.4 | E905 V907 L914 I915 D921 K922 | E905-F918 WeakPolarHBondContact O-CZ 3.12Å; V907-F918 HydrophobicContact CG2-CB 4.19Å; V907-F918 HydrophobicContact CG2-CD1 3.09Å; V907-F918 HydrophobicContact CG2-CD2 4.3Å; V907-F918 HydrophobicContact CG2-CE1 3.38Å; V907-F918 HydrophobicContact CG2-CG 3.61Å; V907-F918 HydrophobicContact CG2-CZ 4.09Å; L914-F918 VanDerWaalsContact O-CB 3.28Å; L914-F918 WeakPolarHBondContact O-CB 3.34Å; L914-F918 PolarHBondContact O-N 2.78Å; I915-F918 PolarHBondContact O-N 3.35Å; F918-D921 PolarHBondContact O-N 3.35Å; F918-K922 HydrophobicContact CE1-CG 4.22Å; F918-K922 HydrophobicContact CZ-CG 4.5Å; F918-K922 WeakPolarHBondContact O-CG 3.48Å; F918-K922 PolarHBondContact O-N 2.93Å |
| 919 | Y | 86.5 | Confident | 75 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 11% | 0.106 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.6 | -36.7 | 179.9 | -77.4 | -55.2 | 0 | 0 | 0 | 112.1 | Q548 P550 V907 I915 S916 Q917 D921 K922 I923 L928 | Q548-Y919 PolarHBondContact O-OH 2.96Å; P550-Y919 HydrophobicContact CG-CD1 3.72Å; P550-Y919 HydrophobicContact CG-CD2 3.89Å; P550-Y919 HydrophobicContact CG-CE1 4.32Å; P550-Y919 HydrophobicContact CG-CE2 4.45Å; P550-Y919 HydrophobicContact CG-CG 3.49Å; P550-Y919 VanDerWaalsContact CG-CG 3.49Å; V907-Y919 HydrophobicContact CG2-CE1 4.42Å; V907-Y919 HydrophobicContact CG2-CE2 3.97Å; I915-Y919 HydrophobicContact CG2-CD2 3.68Å; I915-Y919 HydrophobicContact CG2-CE2 3.65Å; I915-Y919 VanDerWaalsContact O-CD2 3.31Å; I915-Y919 WeakPolarHBondContact O-CD2 3.44Å; I915-Y919 PolarHBondContact O-N 3.13Å; S916-Y919 PolarHBondContact O-N 3.48Å; Q917-Y919 PolarHBondContact O-N 2.85Å; Y919-D921 VanDerWaalsContact C-N 3.31Å; Y919-D921 PolarHBondContact O-N 2.95Å; Y919-K922 CarbonylContact O-C 3.45Å; Y919-K922 WeakPolarHBondContact O-CA 3.35Å; Y919-K922 WeakPolarHBondContact O-CB 3.37Å; Y919-K922 PolarHBondContact O-N 3.04Å; Y919-I923 WeakPolarHBondContact O-CB 3.46Å; Y919-I923 VanDerWaalsContact O-CG1 3.24Å; Y919-I923 WeakPolarHBondContact O-CG1 3.44Å; Y919-I923 PolarHBondContact O-N 2.98Å; Y919-L928 HydrophobicContact CD1-CD2 4.43Å |
| 920 | W | 89.7 | Confident | 74.7 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 175.1 | 178 | -122.9 | 0 | 0 | 0 | 112.2 | Y584 Q586 E637 I733 Y735 S916 Q917 K922 I923 K924 | Y584-W920 VanDerWaalsContact CB-CD2 3.48Å; Y584-W920 HydrophobicContact CD1-CB 3.93Å; Y584-W920 AromaticContact CD1-CD1 3.35Å; Y584-W920 AromaticContact CD1-CD2 3.78Å; Y584-W920 HydrophobicContact CD1-CD2 3.78Å; Y584-W920 AromaticContact CD1-CE2 3.93Å; Y584-W920 AromaticContact CD1-CG 3.41Å; Y584-W920 HydrophobicContact CD1-CG 3.41Å; Y584-W920 VanDerWaalsContact CD1-CG 3.41Å; Y584-W920 AromaticContact CD1-NE1 3.64Å; Y584-W920 HydrophobicContact CE1-CB 4.1Å; Y584-W920 AromaticContact CE1-CD1 3.79Å; Y584-W920 AromaticContact CE1-CG 3.95Å; Y584-W920 HydrophobicContact CE1-CG 3.95Å; Y584-W920 HydrophobicContact CG-CB 4.16Å; Y584-W920 AromaticContact CG-CD2 3.8Å; Y584-W920 HydrophobicContact CG-CD2 3.8Å; Y584-W920 HydrophobicContact CG-CE3 4.17Å; Y584-W920 AromaticContact CG-CG 3.78Å; Y584-W920 HydrophobicContact CG-CG 3.78Å; Q586-W920 HydrophobicContact CB-CH2 4.01Å; Q586-W920 HydrophobicContact CB-CZ2 3.97Å; E637-W920 HydrophobicContact CG-CZ2 4.28Å; E637-W920 PolarHBondContact OE1-NE1 3.34Å; I733-W920 HydrophobicContact CB-CH2 4.43Å; I733-W920 HydrophobicContact CG2-CH2 4.04Å; I733-W920 HydrophobicContact CG2-CZ3 3.9Å; Y735-W920 HydrophobicContact CD1-CB 4.12Å; Y735-W920 HydrophobicContact CD1-CE3 4.11Å; Y735-W920 HydrophobicContact CE1-CB 4.47Å; Y735-W920 HydrophobicContact CG-CE3 4.32Å; S916-W920 WeakPolarHBondContact O-CB 3.39Å; S916-W920 PolarHBondContact O-N 3.39Å; Q917-W920 PolarHBondContact O-N 2.86Å; W920-K922 PolarHBondContact O-N 2.68Å; W920-I923 HydrophobicContact CE3-CB 4.27Å; W920-I923 HydrophobicContact CE3-CG2 4.18Å; W920-I923 HydrophobicContact CZ3-CG2 4.09Å; W920-I923 PolarHBondContact O-N 3.26Å; W920-K924 WeakPolarHBondContact O-CG 3.48Å; W920-K924 PolarHBondContact O-N 3.38Å |
| 921 | D | 81.4 | Confident | 74.7 | Confident | 62 Ų | 62 | 45.3 Ų | 45.3 | 33% | 0.332 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.3 | -32.5 | 175.9 | -70.3 | -24.8 | 0 | 0 | 0 | 112.3 | Q917 F918 Y919 K924 T925 | Q917-D921 PolarHBondContact NE2-OD1 3.16Å; Q917-D921 PolarHBondContact O-N 3.07Å; F918-D921 PolarHBondContact O-N 3.35Å; Y919-D921 VanDerWaalsContact C-N 3.31Å; Y919-D921 PolarHBondContact O-N 2.95Å; D921-K924 VanDerWaalsContact OD1-CE 3.23Å; D921-K924 WeakPolarHBondContact OD1-CE 3.31Å; D921-K924 IonicContact OD1-NZ 3.77Å; D921-K924 PolarHBondContact OD1-NZ 3.42Å; D921-T925 WeakPolarHBondContact O-CB 3.45Å; D921-T925 VanDerWaalsContact O-CG2 3.3Å; D921-T925 WeakPolarHBondContact O-CG2 3.23Å; D921-T925 PolarHBondContact O-OG1 2.79Å |
| 922 | K | 80 | Confident | 74 | Confident | 47 Ų | 47 | 48.9 Ų | 48.9 | 20% | 0.204 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -76.2 | -39.1 | 174 | -62.1 | -67.7 | -179.2 | 178.2 | 0 | 112.9 | F918 Y919 W920 T925 N926 L927 L928 | F918-K922 HydrophobicContact CE1-CG 4.22Å; F918-K922 HydrophobicContact CZ-CG 4.5Å; F918-K922 WeakPolarHBondContact O-CG 3.48Å; F918-K922 PolarHBondContact O-N 2.93Å; Y919-K922 CarbonylContact O-C 3.45Å; Y919-K922 WeakPolarHBondContact O-CA 3.35Å; Y919-K922 WeakPolarHBondContact O-CB 3.37Å; Y919-K922 PolarHBondContact O-N 3.04Å; W920-K922 PolarHBondContact O-N 2.68Å; K922-T925 PolarHBondContact O-N 3.49Å; K922-T925 PolarHBondContact O-OG1 3.42Å; K922-N926 PolarHBondContact O-N 2.83Å; K922-L927 HydrophobicContact CD-CB 4.11Å; K922-L927 PolarHBondContact O-N 2.94Å; K922-L928 HydrophobicContact CB-CG 4.27Å |
| 923 | I | 84.9 | Confident | 73 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.1 | -53.3 | 179 | -72.5 | 165.3 | 0 | 0 | 0 | 109.8 | P550 W569 I733 Y735 Y919 W920 T925 N926 L928 | P550-I923 HydrophobicContact CB-CD1 4.29Å; P550-I923 HydrophobicContact CG-CD1 4.34Å; W569-I923 HydrophobicContact CB-CD1 3.76Å; W569-I923 HydrophobicContact CB-CG1 4.49Å; W569-I923 VanDerWaalsContact CD1-CG2 3.42Å; W569-I923 HydrophobicContact CD2-CD1 4.23Å; W569-I923 HydrophobicContact CD2-CG1 4.04Å; W569-I923 HydrophobicContact CD2-CG2 4.32Å; W569-I923 HydrophobicContact CE3-CG1 4.43Å; W569-I923 HydrophobicContact CG-CD1 3.87Å; W569-I923 HydrophobicContact CG-CG1 4.07Å; W569-I923 HydrophobicContact CG-CG2 3.91Å; I733-I923 HydrophobicContact CG2-CG2 3.71Å; Y735-I923 HydrophobicContact CD1-CD1 3.82Å; Y735-I923 HydrophobicContact CD2-CD1 3.51Å; Y735-I923 HydrophobicContact CE1-CD1 4.24Å; Y735-I923 HydrophobicContact CE2-CD1 3.97Å; Y735-I923 HydrophobicContact CG-CD1 3.42Å; Y735-I923 VanDerWaalsContact CG-CD1 3.42Å; Y919-I923 WeakPolarHBondContact O-CB 3.46Å; Y919-I923 VanDerWaalsContact O-CG1 3.24Å; Y919-I923 WeakPolarHBondContact O-CG1 3.44Å; Y919-I923 PolarHBondContact O-N 2.98Å; W920-I923 HydrophobicContact CE3-CB 4.27Å; W920-I923 HydrophobicContact CE3-CG2 4.18Å; W920-I923 HydrophobicContact CZ3-CG2 4.09Å; W920-I923 PolarHBondContact O-N 3.26Å; I923-T925 PolarHBondContact O-N 2.87Å; I923-N926 PolarHBondContact O-N 3.34Å; I923-L928 HydrophobicContact CB-CD1 4.3Å; I923-L928 HydrophobicContact CD1-CD1 4.14Å; I923-L928 HydrophobicContact CG1-CD1 3.2Å |
| 924 | K | 78.7 | Confident | 72 | Confident | 60 Ų | 60 | 53 Ų | 53 | 26% | 0.261 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.9 | -20.9 | -177.1 | 77.3 | -165.7 | -167.6 | -168.7 | 0 | 113.6 | E637 W920 D921 | E637-K924 IonicContact OE2-NZ 2.97Å; W920-K924 WeakPolarHBondContact O-CG 3.48Å; W920-K924 PolarHBondContact O-N 3.38Å; D921-K924 VanDerWaalsContact OD1-CE 3.23Å; D921-K924 WeakPolarHBondContact OD1-CE 3.31Å; D921-K924 IonicContact OD1-NZ 3.77Å; D921-K924 PolarHBondContact OD1-NZ 3.42Å |
| 925 | T | 68.3 | Low | 71.3 | Confident | 46 Ų | 46 | 52 Ų | 52 | 28% | 0.282 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -0.8 | 175.5 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | I844 D921 K922 I923 L927 | I844-T925 HydrophobicContact CD1-CG2 3.93Å; D921-T925 WeakPolarHBondContact O-CB 3.45Å; D921-T925 VanDerWaalsContact O-CG2 3.3Å; D921-T925 WeakPolarHBondContact O-CG2 3.23Å; D921-T925 PolarHBondContact O-OG1 2.79Å; K922-T925 PolarHBondContact O-N 3.49Å; K922-T925 PolarHBondContact O-OG1 3.42Å; I923-T925 PolarHBondContact O-N 2.87Å; T925-L927 VanDerWaalsContact C-N 3.25Å; T925-L927 PolarHBondContact O-N 3.47Å |
| 926 | N | 67.3 | Low | 70.6 | Confident | 99 Ų | 99 | 55.6 Ų | 55.6 | 53% | 0.529 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 35.3 | -176.3 | -146.7 | 8 | 0 | 0 | 0 | 114 | F848 K922 I923 | F848-N926 VanDerWaalsContact CE1-ND2 3.33Å; F848-N926 WeakPolarHBondContact CE1-ND2 3.33Å; K922-N926 PolarHBondContact O-N 2.83Å; I923-N926 PolarHBondContact O-N 3.34Å |
| 927 | L | 62.7 | Low | 69.6 | Low | 47 Ų | 47 | 59.3 Ų | 59.3 | 25% | 0.246 | 32% | 0.317 | C | S | . | . | trans | -108.2 | 27.1 | -176.3 | -68.3 | 177.2 | 0 | 0 | 0 | 113.4 | K842 I844 K922 T925 D929 | K842-L927 HydrophobicContact CD-CD1 4.24Å; K842-L927 VanDerWaalsContact NZ-CD2 3.28Å; I844-L927 HydrophobicContact CD1-CD1 3.84Å; I844-L927 HydrophobicContact CD1-CG 4.18Å; K922-L927 HydrophobicContact CD-CB 4.11Å; K922-L927 PolarHBondContact O-N 2.94Å; T925-L927 VanDerWaalsContact C-N 3.25Å; T925-L927 PolarHBondContact O-N 3.47Å; L927-D929 PolarHBondContact O-N 3.17Å | ||
| 928 | L | 66 | Low | 68.6 | Low | 51 Ų | 51 | 56.4 Ų | 56.4 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | trans | -75.2 | 51.2 | 178 | -116.5 | 150.5 | 0 | 0 | 0 | 111.9 | W569 Y919 K922 I923 | W569-L928 HydrophobicContact CD2-CD1 4.49Å; W569-L928 HydrophobicContact CE3-CD1 3.96Å; W569-L928 HydrophobicContact CH2-CB 4.37Å; W569-L928 HydrophobicContact CH2-CD1 3.94Å; W569-L928 HydrophobicContact CZ2-CD1 4.48Å; W569-L928 HydrophobicContact CZ3-CD1 3.66Å; Y919-L928 HydrophobicContact CD1-CD2 4.43Å; K922-L928 HydrophobicContact CB-CG 4.27Å; I923-L928 HydrophobicContact CB-CD1 4.3Å; I923-L928 HydrophobicContact CD1-CD1 4.14Å; I923-L928 HydrophobicContact CG1-CD1 3.2Å | ||
| 929 | D | 53 | Low | 67.9 | Low | 111 Ų | 111 | 59 Ų | 59 | 59% | 0.594 | 31% | 0.314 | S | S | * | . | trans | -91.8 | 117.5 | 174 | -113.1 | -12.4 | 0 | 0 | 0 | 109.5 | L927 G931 R934 | L927-D929 PolarHBondContact O-N 3.17Å; D929-G931 PolarHBondContact O-N 3.36Å; D929-G931 VanDerWaalsContact O-N 3.09Å; D929-R934 IonicContact OD2-NH1 3.81Å; D929-R934 PolarHBondContact OD2-NH1 2.99Å | ||
| 930 | G | 52 | Low | 67.1 | Low | 53 Ų | 53 | 68.1 Ų | 68.1 | 55% | 0.546 | 35% | 0.348 | S | S | . | . | trans | -47.7 | 108 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | I932 N933 R934 | G930-I932 VanDerWaalsContact C-N 3.25Å; G930-I932 PolarHBondContact O-N 3.45Å; G930-N933 PolarHBondContact O-N 3.38Å; G930-R934 PolarHBondContact O-N 2.92Å | ||
| 931 | G | 58.2 | Low | 66.2 | Low | 24 Ų | 24 | 72.4 Ų | 72.4 | 25% | 0.247 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.3 | -22.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | D929 K935 | D929-G931 PolarHBondContact O-N 3.36Å; D929-G931 VanDerWaalsContact O-N 3.09Å; G931-K935 WeakPolarHBondContact O-CB 3.42Å; G931-K935 PolarHBondContact O-N 3.36Å |
| 932 | I | 53.9 | Low | 65.8 | Low | 111 Ų | 111 | 70.2 Ų | 70.2 | 57% | 0.569 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -78.3 | -44.4 | 179.2 | -64 | 171.3 | 0 | 0 | 0 | 111.8 | G930 K935 N936 | G930-I932 VanDerWaalsContact C-N 3.25Å; G930-I932 PolarHBondContact O-N 3.45Å; I932-K935 WeakPolarHBondContact O-CB 3.41Å; I932-K935 PolarHBondContact O-N 2.84Å; I932-N936 PolarHBondContact O-N 3.22Å; I932-N936 PolarHBondContact O-ND2 3.33Å |
| 933 | N | 55.9 | Low | 65.8 | Low | 132 Ų | 132 | 70.6 Ų | 70.6 | 71% | 0.706 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -69.5 | -40.4 | 178.2 | -76.9 | -21.6 | 0 | 0 | 0 | 110.9 | G930 N936 M937 | G930-N933 PolarHBondContact O-N 3.38Å; N933-N936 PolarHBondContact O-N 2.94Å; N933-M937 WeakPolarHBondContact O-CB 3.43Å; N933-M937 PolarHBondContact O-N 3.29Å |
| 934 | R | 60.1 | Low | 65.7 | Low | 38 Ų | 38 | 73.8 Ų | 73.8 | 14% | 0.143 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.5 | -47.7 | 172.4 | -155.6 | 176.1 | 177.2 | 123.7 | -6.9 | 110.5 | E808 D929 G930 N936 M937 L938 | E808-R934 IonicContact OE2-NH2 2.62Å; D929-R934 IonicContact OD2-NH1 3.81Å; D929-R934 PolarHBondContact OD2-NH1 2.99Å; G930-R934 PolarHBondContact O-N 2.92Å; R934-N936 PolarHBondContact O-N 3.49Å; R934-M937 PolarHBondContact O-N 2.96Å; R934-L938 HydrophobicContact CG-CD1 3.92Å; R934-L938 HydrophobicContact CG-CG 4.41Å; R934-L938 VanDerWaalsContact O-CB 3.23Å; R934-L938 WeakPolarHBondContact O-CB 3.27Å; R934-L938 WeakPolarHBondContact O-CD1 3.37Å; R934-L938 WeakPolarHBondContact O-CG 3.32Å; R934-L938 PolarHBondContact O-N 2.89Å |
| 935 | K | 61.9 | Low | 66 | Low | 66 Ų | 66 | 76 Ų | 76 | 29% | 0.287 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -53.6 | -47.9 | 173.9 | 167.3 | 177.5 | -178.8 | 176.3 | 0 | 113.3 | I902 I906 G931 I932 L938 K939 | I902-K935 HydrophobicContact CD1-CG 4.3Å; I902-K935 HydrophobicContact CG2-CB 4.1Å; I902-K935 HydrophobicContact CG2-CD 3.32Å; I902-K935 HydrophobicContact CG2-CG 3.5Å; I902-K935 VanDerWaalsContact CG2-CG 3.5Å; I906-K935 HydrophobicContact CD1-CD 3.69Å; G931-K935 WeakPolarHBondContact O-CB 3.42Å; G931-K935 PolarHBondContact O-N 3.36Å; I932-K935 WeakPolarHBondContact O-CB 3.41Å; I932-K935 PolarHBondContact O-N 2.84Å; K935-L938 PolarHBondContact O-N 3.01Å; K935-K939 PolarHBondContact O-N 3.14Å |
| 936 | N | 63.9 | Low | 66.9 | Low | 81 Ų | 81 | 78.2 Ų | 78.2 | 43% | 0.433 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69.1 | -37.5 | -177.5 | -72.6 | -21.9 | 0 | 0 | 0 | 112.1 | I932 N933 R934 R940 | I932-N936 PolarHBondContact O-N 3.22Å; I932-N936 PolarHBondContact O-ND2 3.33Å; N933-N936 PolarHBondContact O-N 2.94Å; R934-N936 PolarHBondContact O-N 3.49Å; N936-R940 WeakPolarHBondContact O-CG 3.49Å; N936-R940 PolarHBondContact O-N 2.91Å |
| 937 | M | 67.1 | Low | 67.9 | Low | 77 Ų | 77 | 73.5 Ų | 73.5 | 38% | 0.379 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.6 | -49.7 | 171.8 | -173.5 | -167.2 | 84.7 | 0 | 0 | 110.8 | P805 V806 N933 R934 K939 R940 E941 | P805-M937 HydrophobicContact CB-CE 4Å; P805-M937 HydrophobicContact CG-CE 4.46Å; V806-M937 HydrophobicContact CG2-CE 4.2Å; N933-M937 WeakPolarHBondContact O-CB 3.43Å; N933-M937 PolarHBondContact O-N 3.29Å; R934-M937 PolarHBondContact O-N 2.96Å; M937-K939 PolarHBondContact O-N 2.9Å; M937-R940 PolarHBondContact O-N 3.39Å; M937-R940 VanDerWaalsContact O-N 3.13Å; M937-E941 PolarHBondContact O-N 3.41Å |
| 938 | L | 66.4 | Low | 69.1 | Low | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61 | -43.6 | -178.5 | -72.7 | 171.9 | 0 | 0 | 0 | 112.1 | V806 F809 R934 K935 R940 E941 M942 | V806-L938 HydrophobicContact CG2-CD2 4.12Å; F809-L938 HydrophobicContact CB-CD2 4.09Å; F809-L938 HydrophobicContact CD2-CD1 3.53Å; F809-L938 HydrophobicContact CD2-CD2 4.43Å; F809-L938 HydrophobicContact CE2-CD1 3.84Å; F809-L938 HydrophobicContact CG-CD1 4.14Å; F809-L938 HydrophobicContact CG-CD2 4.31Å; R934-L938 HydrophobicContact CG-CD1 3.92Å; R934-L938 HydrophobicContact CG-CG 4.41Å; R934-L938 VanDerWaalsContact O-CB 3.23Å; R934-L938 WeakPolarHBondContact O-CB 3.27Å; R934-L938 WeakPolarHBondContact O-CD1 3.37Å; R934-L938 WeakPolarHBondContact O-CG 3.32Å; R934-L938 PolarHBondContact O-N 2.89Å; K935-L938 PolarHBondContact O-N 3.01Å; L938-R940 VanDerWaalsContact C-N 3.26Å; L938-R940 PolarHBondContact O-N 2.96Å; L938-E941 PolarHBondContact O-N 3.41Å; L938-M942 HydrophobicContact CB-CE 3.34Å; L938-M942 HydrophobicContact CB-SD 4.35Å; L938-M942 HydrophobicContact CD1-CE 4.32Å; L938-M942 HydrophobicContact CD2-CE 3.18Å; L938-M942 HydrophobicContact CG-CE 3.7Å; L938-M942 WeakPolarHBondContact O-CB 3.26Å; L938-M942 WeakPolarHBondContact O-CG 3.48Å; L938-M942 PolarHBondContact O-N 2.89Å |
| 939 | K | 67.8 | Low | 70.2 | Confident | 101 Ų | 101 | 77.3 Ų | 77.3 | 44% | 0.439 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.1 | -31.7 | 175.3 | -90.3 | -162.5 | 172.1 | -162.4 | 0 | 113.9 | N899 I902 K935 M937 | N899-K939 VanDerWaalsContact OD1-CE 3.28Å; N899-K939 WeakPolarHBondContact OD1-CE 3.41Å; N899-K939 PolarHBondContact OD1-NZ 2.9Å; I902-K939 HydrophobicContact CD1-CD 4.47Å; I902-K939 HydrophobicContact CD1-CG 3.81Å; K935-K939 PolarHBondContact O-N 3.14Å; M937-K939 PolarHBondContact O-N 2.9Å |
| 940 | R | 69 | Low | 71.9 | Confident | 219 Ų | 219 | 73 Ų | 73 | 83% | 0.826 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -79.6 | -30.9 | -178.1 | -73.7 | 178.4 | 178.7 | 179.5 | 1 | 113 | N936 M937 L938 | N936-R940 WeakPolarHBondContact O-CG 3.49Å; N936-R940 PolarHBondContact O-N 2.91Å; M937-R940 PolarHBondContact O-N 3.39Å; M937-R940 VanDerWaalsContact O-N 3.13Å; L938-R940 VanDerWaalsContact C-N 3.26Å; L938-R940 PolarHBondContact O-N 2.96Å |
| 941 | E | 70.8 | Confident | 73.6 | Confident | 90 Ų | 90 | 70.5 Ų | 70.5 | 42% | 0.421 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -92.6 | -14.8 | -174.9 | -65 | -156.5 | 158.7 | 0 | 0 | 114.2 | V806 Y810 M937 L938 K946 | V806-E941 WeakPolarHBondContact CG2-OE2 3.14Å; Y810-E941 PolarHBondContact OH-O 3.14Å; M937-E941 PolarHBondContact O-N 3.41Å; L938-E941 PolarHBondContact O-N 3.41Å; E941-K946 WeakPolarHBondContact O-CD 3.46Å; E941-K946 PolarHBondContact O-NZ 3.34Å |
| 942 | M | 73.5 | Confident | 75 | Confident | 17 Ų | 17 | 74.1 Ų | 74.1 | 8% | 0.084 | 34% | 0.339 | C | S | . | . | trans | -91.5 | 112.7 | -172.2 | -74.3 | 177.9 | -157.5 | 0 | 0 | 113.7 | F809 Y810 I813 F894 L938 | F809-M942 HydrophobicContact CB-CE 3.42Å; F809-M942 VanDerWaalsContact CB-CE 3.42Å; F809-M942 HydrophobicContact CD1-CE 3.23Å; F809-M942 HydrophobicContact CD1-SD 3.37Å; F809-M942 WeakPolarHBondContact CD1-SD 3.4Å; F809-M942 HydrophobicContact CD2-CE 4.3Å; F809-M942 HydrophobicContact CE1-CE 4.07Å; F809-M942 HydrophobicContact CE1-SD 3.86Å; F809-M942 HydrophobicContact CG-CE 3.37Å; F809-M942 HydrophobicContact CG-SD 4.15Å; Y810-M942 HydrophobicContact CE1-CG 3.94Å; I813-M942 HydrophobicContact CD1-SD 4.13Å; F894-M942 HydrophobicContact CE1-CB 4.39Å; F894-M942 HydrophobicContact CZ-CB 4.07Å; L938-M942 HydrophobicContact CB-CE 3.34Å; L938-M942 HydrophobicContact CB-SD 4.35Å; L938-M942 HydrophobicContact CD1-CE 4.32Å; L938-M942 HydrophobicContact CD2-CE 3.18Å; L938-M942 HydrophobicContact CG-CE 3.7Å; L938-M942 WeakPolarHBondContact O-CB 3.26Å; L938-M942 WeakPolarHBondContact O-CG 3.48Å; L938-M942 PolarHBondContact O-N 2.89Å | ||
| 943 | T | 81.3 | Confident | 76.5 | Confident | 55 Ų | 55 | 76.5 Ų | 76.5 | 34% | 0.337 | 35% | 0.346 | S | S | . | . | trans | -127.4 | 150 | 169.9 | 56.8 | 0 | 0 | 0 | 0 | 109.1 | E945 K946 L947 | T943-E945 PolarHBondContact O-N 3.33Å; T943-K946 PolarHBondContact O-N 3.25Å; T943-K946 VanDerWaalsContact O-N 3.14Å; T943-K946 WeakPolarHBondContact OG1-CB 3.33Å; T943-K946 VanDerWaalsContact OG1-CG 3.29Å; T943-K946 WeakPolarHBondContact OG1-CG 3.18Å; T943-K946 PolarHBondContact OG1-N 3.31Å; T943-L947 PolarHBondContact O-N 3Å | ||
| 944 | R | 82.7 | Confident | 77.8 | Confident | 72 Ų | 72 | 70.4 Ų | 70.4 | 27% | 0.272 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -55.1 | -37.1 | 175.9 | -173.7 | -170.4 | 67.3 | 129.7 | 9.9 | 112.4 | A887 M889 L947 L948 | A887-R944 PolarHBondContact O-NH1 3.29Å; M889-R944 HydrophobicContact CE-CG 4.11Å; M889-R944 WeakPolarHBondContact O-CD 3.43Å; M889-R944 PolarHBondContact O-NH1 3.01Å; R944-L947 WeakPolarHBondContact O-CB 3.37Å; R944-L947 PolarHBondContact O-N 3.44Å; R944-L948 PolarHBondContact O-N 3.45Å |
| 945 | E | 85.2 | Confident | 79 | Confident | 106 Ų | 106 | 68.6 Ų | 68.6 | 50% | 0.495 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 178.5 | -67.5 | 66.8 | -140.3 | 0 | 0 | 111.4 | T943 L948 E949 | T943-E945 PolarHBondContact O-N 3.33Å; E945-L948 PolarHBondContact O-N 3.08Å; E945-E949 PolarHBondContact O-N 2.81Å |
| 946 | K | 87.1 | Confident | 80.1 | Confident | 92 Ų | 92 | 67.8 Ų | 67.8 | 40% | 0.4 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66 | -36 | 174.8 | -72.1 | 177.9 | -179.7 | -177.9 | 0 | 113 | Y810 E941 T943 L948 E949 Y950 | Y810-K946 WeakPolarHBondContact OH-CB 3.5Å; E941-K946 WeakPolarHBondContact O-CD 3.46Å; E941-K946 PolarHBondContact O-NZ 3.34Å; T943-K946 PolarHBondContact O-N 3.25Å; T943-K946 VanDerWaalsContact O-N 3.14Å; T943-K946 WeakPolarHBondContact OG1-CB 3.33Å; T943-K946 VanDerWaalsContact OG1-CG 3.29Å; T943-K946 WeakPolarHBondContact OG1-CG 3.18Å; T943-K946 PolarHBondContact OG1-N 3.31Å; K946-L948 VanDerWaalsContact C-N 3.32Å; K946-E949 PolarHBondContact O-N 3.15Å; K946-Y950 WeakPolarHBondContact O-CB 3.15Å; K946-Y950 PolarHBondContact O-N 3.22Å |
| 947 | L | 88 | Confident | 80.9 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 173.7 | -178.8 | 78.5 | 0 | 0 | 0 | 110.4 | Y810 I813 I814 I886 M889 F894 T943 R944 Y950 F951 | Y810-L947 HydrophobicContact CD1-CB 4.28Å; Y810-L947 HydrophobicContact CD1-CD1 3.36Å; Y810-L947 HydrophobicContact CD1-CG 4.45Å; Y810-L947 HydrophobicContact CE1-CB 4.17Å; Y810-L947 HydrophobicContact CE1-CD1 4.08Å; Y810-L947 HydrophobicContact CG-CD1 4Å; I813-L947 HydrophobicContact CB-CD1 4.09Å; I813-L947 HydrophobicContact CG2-CD1 3.88Å; I813-L947 HydrophobicContact CG2-CD2 3.75Å; I814-L947 HydrophobicContact CD1-CD1 4.26Å; I814-L947 HydrophobicContact CG1-CD1 3.95Å; I814-L947 HydrophobicContact CG1-CG 4.48Å; I886-L947 HydrophobicContact CG2-CD2 3.91Å; I886-L947 HydrophobicContact CG2-CG 4.32Å; M889-L947 HydrophobicContact CE-CD2 3.71Å; F894-L947 HydrophobicContact CD2-CD2 4.23Å; F894-L947 HydrophobicContact CE2-CB 4.41Å; F894-L947 HydrophobicContact CE2-CD2 3.96Å; T943-L947 PolarHBondContact O-N 3Å; R944-L947 WeakPolarHBondContact O-CB 3.37Å; R944-L947 PolarHBondContact O-N 3.44Å; L947-Y950 WeakPolarHBondContact O-CB 3.34Å; L947-Y950 PolarHBondContact O-N 3Å; L947-F951 WeakPolarHBondContact O-CB 3.34Å; L947-F951 PolarHBondContact O-N 3.42Å |
| 948 | L | 87.3 | Confident | 81.4 | Confident | 39 Ų | 39 | 65.6 Ų | 65.6 | 20% | 0.204 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 177.9 | -167.3 | 75.5 | 0 | 0 | 0 | 110.8 | I886 A887 R944 E945 K946 Y950 F951 Y952 | I886-L948 HydrophobicContact CB-CD1 3.9Å; I886-L948 HydrophobicContact CG2-CB 4.31Å; I886-L948 HydrophobicContact CG2-CD1 3.58Å; A887-L948 HydrophobicContact CB-CD1 4.22Å; R944-L948 PolarHBondContact O-N 3.45Å; E945-L948 PolarHBondContact O-N 3.08Å; K946-L948 VanDerWaalsContact C-N 3.32Å; L948-Y950 VanDerWaalsContact C-N 3.31Å; L948-Y950 PolarHBondContact O-N 3.29Å; L948-F951 WeakPolarHBondContact O-CB 3.26Å; L948-F951 PolarHBondContact O-N 3.41Å; L948-F951 VanDerWaalsContact O-N 3.16Å; L948-Y952 HydrophobicContact CD1-CD2 4.47Å; L948-Y952 HydrophobicContact CD1-CE2 3.96Å; L948-Y952 HydrophobicContact CD2-CE2 4.11Å; L948-Y952 HydrophobicContact CG-CD2 3.96Å; L948-Y952 HydrophobicContact CG-CE2 3.72Å; L948-Y952 VanDerWaalsContact O-CD2 3.23Å; L948-Y952 WeakPolarHBondContact O-CD2 3.24Å; L948-Y952 PolarHBondContact O-N 3.46Å |
| 949 | E | 88.5 | Confident | 81.8 | Confident | 140 Ų | 140 | 69.8 Ų | 69.8 | 65% | 0.654 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -59.8 | -41.8 | 176.5 | -167.5 | 173.7 | -159.9 | 0 | 0 | 112 | E945 K946 Y952 K953 | E945-E949 PolarHBondContact O-N 2.81Å; K946-E949 PolarHBondContact O-N 3.15Å; E949-Y952 PolarHBondContact O-N 3.24Å; E949-K953 WeakPolarHBondContact O-CB 3.22Å; E949-K953 PolarHBondContact O-N 2.78Å |
| 950 | Y | 88.3 | Confident | 82.3 | Confident | 21 Ų | 21 | 67.6 Ų | 67.6 | 8% | 0.082 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 173.9 | 179.7 | -97.2 | 0 | 0 | 0 | 112.1 | I800 D807 Y810 C811 I814 K946 L947 L948 K953 T954 Y955 | I800-Y950 HydrophobicContact CD1-CE1 4.38Å; I800-Y950 WeakPolarHBondContact CD1-OH 3.49Å; D807-Y950 WeakPolarHBondContact CA-OH 3.36Å; D807-Y950 HydrophobicContact CB-CE2 4.21Å; D807-Y950 WeakPolarHBondContact CB-OH 3.47Å; D807-Y950 PolarHBondContact O-OH 3.49Å; D807-Y950 VanDerWaalsContact O-OH 3.07Å; D807-Y950 VanDerWaalsContact OD1-CE2 3.23Å; D807-Y950 WeakPolarHBondContact OD1-CE2 3.47Å; Y810-Y950 VanDerWaalsContact CB-CE1 3.48Å; Y810-Y950 HydrophobicContact CD2-CD1 4.08Å; Y810-Y950 AromaticContact CD2-CD2 3.84Å; Y810-Y950 HydrophobicContact CD2-CD2 3.84Å; Y810-Y950 HydrophobicContact CD2-CE1 4.46Å; Y810-Y950 HydrophobicContact CD2-CE2 4.27Å; Y810-Y950 AromaticContact CD2-CG 3.71Å; Y810-Y950 HydrophobicContact CD2-CG 3.71Å; Y810-Y950 HydrophobicContact CE2-CG 4.47Å; Y810-Y950 HydrophobicContact CG-CD1 4.1Å; Y810-Y950 HydrophobicContact CG-CE1 4.41Å; Y810-Y950 HydrophobicContact CG-CG 4.18Å; C811-Y950 PolarHBondContact SG-OH 3.12Å; C811-Y950 VanDerWaalsContact SG-OH 3.34Å; I814-Y950 HydrophobicContact CD1-CD1 3.88Å; I814-Y950 HydrophobicContact CD1-CE1 4.14Å; K946-Y950 WeakPolarHBondContact O-CB 3.15Å; K946-Y950 PolarHBondContact O-N 3.22Å; L947-Y950 WeakPolarHBondContact O-CB 3.34Å; L947-Y950 PolarHBondContact O-N 3Å; L948-Y950 VanDerWaalsContact C-N 3.31Å; L948-Y950 PolarHBondContact O-N 3.29Å; Y950-K953 PolarHBondContact O-N 3.31Å; Y950-T954 WeakPolarHBondContact O-CB 3.41Å; Y950-T954 PolarHBondContact O-N 3.05Å; Y950-T954 PolarHBondContact O-OG1 3.1Å; Y950-Y955 HydrophobicContact CE1-CE2 4.21Å |
| 951 | F | 88.9 | Confident | 82.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.5 | -49.8 | 175.7 | -177.1 | -85.2 | 0 | 0 | 0 | 111.1 | I814 L818 W878 A882 P883 I886 L947 L948 K953 T954 Y955 L956 | I814-F951 HydrophobicContact CD1-CB 4.27Å; I814-F951 HydrophobicContact CD1-CD2 3.97Å; I814-F951 HydrophobicContact CG1-CD2 4.32Å; I814-F951 HydrophobicContact CG2-CD2 4.1Å; I814-F951 HydrophobicContact CG2-CE2 4.22Å; L818-F951 HydrophobicContact CD1-CE2 4.3Å; W878-F951 AromaticContact CE3-CE2 3.89Å; W878-F951 HydrophobicContact CE3-CE2 3.89Å; W878-F951 AromaticContact CE3-CZ 3.88Å; W878-F951 HydrophobicContact CE3-CZ 3.88Å; W878-F951 AromaticContact CZ3-CE2 3.91Å; W878-F951 HydrophobicContact CZ3-CE2 3.91Å; W878-F951 HydrophobicContact CZ3-CZ 4.37Å; A882-F951 HydrophobicContact CB-CE1 4.46Å; A882-F951 HydrophobicContact CB-CE2 3.97Å; A882-F951 HydrophobicContact CB-CZ 3.55Å; P883-F951 HydrophobicContact CB-CE1 4.37Å; P883-F951 HydrophobicContact CG-CE1 3.84Å; I886-F951 HydrophobicContact CD1-CB 4.03Å; I886-F951 HydrophobicContact CD1-CD1 4.17Å; I886-F951 HydrophobicContact CD1-CD2 3.21Å; I886-F951 HydrophobicContact CD1-CE2 3.63Å; I886-F951 HydrophobicContact CD1-CG 3.52Å; I886-F951 HydrophobicContact CD1-CZ 4.28Å; L947-F951 WeakPolarHBondContact O-CB 3.34Å; L947-F951 PolarHBondContact O-N 3.42Å; L948-F951 WeakPolarHBondContact O-CB 3.26Å; L948-F951 PolarHBondContact O-N 3.41Å; L948-F951 VanDerWaalsContact O-N 3.16Å; F951-K953 PolarHBondContact O-N 3.48Å; F951-T954 PolarHBondContact O-N 3.37Å; F951-Y955 HydrophobicContact CD2-CD1 4.34Å; F951-Y955 AromaticContact CD2-CD2 3.95Å; F951-Y955 HydrophobicContact CD2-CD2 3.95Å; F951-Y955 AromaticContact CD2-CG 3.75Å; F951-Y955 HydrophobicContact CD2-CG 3.75Å; F951-Y955 AromaticContact CE2-CD1 3.99Å; F951-Y955 HydrophobicContact CE2-CD1 3.99Å; F951-Y955 HydrophobicContact CE2-CD2 4.39Å; F951-Y955 AromaticContact CE2-CG 3.74Å; F951-Y955 HydrophobicContact CE2-CG 3.74Å; F951-Y955 HydrophobicContact CG-CG 4.49Å; F951-Y955 HydrophobicContact CZ-CG 4.44Å; F951-Y955 WeakPolarHBondContact O-CA 3.33Å; F951-Y955 WeakPolarHBondContact O-CB 3.42Å; F951-Y955 PolarHBondContact O-N 3.22Å; F951-L956 HydrophobicContact CD1-CG 4.41Å; F951-L956 HydrophobicContact CE1-CD2 3.94Å; F951-L956 HydrophobicContact CE1-CG 4.01Å; F951-L956 PolarHBondContact O-N 3.09Å |
| 952 | Y | 87.1 | Confident | 83.1 | Confident | 99 Ų | 99 | 53.8 Ų | 53.8 | 39% | 0.388 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 177.8 | -84.6 | -78.9 | 0 | 0 | 0 | 112.3 | L948 E949 T954 L956 | L948-Y952 HydrophobicContact CD1-CD2 4.47Å; L948-Y952 HydrophobicContact CD1-CE2 3.96Å; L948-Y952 HydrophobicContact CD2-CE2 4.11Å; L948-Y952 HydrophobicContact CG-CD2 3.96Å; L948-Y952 HydrophobicContact CG-CE2 3.72Å; L948-Y952 VanDerWaalsContact O-CD2 3.23Å; L948-Y952 WeakPolarHBondContact O-CD2 3.24Å; L948-Y952 PolarHBondContact O-N 3.46Å; E949-Y952 PolarHBondContact O-N 3.24Å; Y952-T954 VanDerWaalsContact C-N 3.29Å; Y952-T954 PolarHBondContact O-N 3.29Å; Y952-L956 HydrophobicContact CD1-CD1 3.29Å; Y952-L956 HydrophobicContact CD1-CG 4.44Å; Y952-L956 HydrophobicContact CE1-CD1 3.5Å; Y952-L956 HydrophobicContact CG-CD1 4.2Å |
| 953 | K | 85.8 | Confident | 83.3 | Confident | 162 Ų | 162 | 53.5 Ų | 53.5 | 70% | 0.704 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -68.1 | -29.7 | -179.2 | -173.8 | 179 | 176.3 | -174.2 | 0 | 112.7 | E949 Y950 F951 | E949-K953 WeakPolarHBondContact O-CB 3.22Å; E949-K953 PolarHBondContact O-N 2.78Å; Y950-K953 PolarHBondContact O-N 3.31Å; F951-K953 PolarHBondContact O-N 3.48Å |
| 954 | T | 84.1 | Confident | 83 | Confident | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.025 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -113.9 | -51.7 | -164.9 | -47.7 | 0 | 0 | 0 | 0 | 113.2 | I800 Y950 F951 Y952 K960 | I800-T954 HydrophobicContact CD1-CG2 3.38Å; I800-T954 HydrophobicContact CG1-CG2 3.55Å; Y950-T954 WeakPolarHBondContact O-CB 3.41Å; Y950-T954 PolarHBondContact O-N 3.05Å; Y950-T954 PolarHBondContact O-OG1 3.1Å; F951-T954 PolarHBondContact O-N 3.37Å; Y952-T954 VanDerWaalsContact C-N 3.29Å; Y952-T954 PolarHBondContact O-N 3.29Å; T954-K960 HydrophobicContact CG2-CD 3.87Å |
| 955 | Y | 85 | Confident | 82.7 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -19.2 | -176.1 | -76.7 | -105 | 0 | 0 | 0 | 113.5 | E798 C811 I814 T854 W878 Y950 F951 K961 | E798-Y955 HydrophobicContact CB-CD1 4.05Å; E798-Y955 HydrophobicContact CB-CE1 3.92Å; E798-Y955 HydrophobicContact CG-CD1 3.59Å; E798-Y955 HydrophobicContact CG-CE1 3.89Å; E798-Y955 HydrophobicContact CG-CG 4.33Å; C811-Y955 PolarHBondContact SG-OH 2.65Å; I814-Y955 HydrophobicContact CD1-CD2 3.94Å; I814-Y955 HydrophobicContact CD1-CE2 3.48Å; I814-Y955 VanDerWaalsContact CD1-CE2 3.48Å; I814-Y955 HydrophobicContact CG2-CD1 4.42Å; I814-Y955 HydrophobicContact CG2-CE1 3.88Å; I814-Y955 HydrophobicContact CG2-CE2 4.28Å; T854-Y955 PolarHBondContact OG1-OH 3.4Å; W878-Y955 AromaticContact CE3-CD1 3.94Å; W878-Y955 HydrophobicContact CE3-CD1 3.94Å; W878-Y955 AromaticContact CH2-CD1 3.8Å; W878-Y955 HydrophobicContact CH2-CD1 3.8Å; W878-Y955 AromaticContact CH2-CE1 3.79Å; W878-Y955 HydrophobicContact CH2-CE1 3.79Å; W878-Y955 AromaticContact CZ3-CD1 3.44Å; W878-Y955 HydrophobicContact CZ3-CD1 3.44Å; W878-Y955 VanDerWaalsContact CZ3-CD1 3.44Å; W878-Y955 AromaticContact CZ3-CE1 3.81Å; W878-Y955 HydrophobicContact CZ3-CE1 3.81Å; W878-Y955 HydrophobicContact CZ3-CG 4.49Å; Y950-Y955 HydrophobicContact CE1-CE2 4.21Å; F951-Y955 HydrophobicContact CD2-CD1 4.34Å; F951-Y955 AromaticContact CD2-CD2 3.95Å; F951-Y955 HydrophobicContact CD2-CD2 3.95Å; F951-Y955 AromaticContact CD2-CG 3.75Å; F951-Y955 HydrophobicContact CD2-CG 3.75Å; F951-Y955 AromaticContact CE2-CD1 3.99Å; F951-Y955 HydrophobicContact CE2-CD1 3.99Å; F951-Y955 HydrophobicContact CE2-CD2 4.39Å; F951-Y955 AromaticContact CE2-CG 3.74Å; F951-Y955 HydrophobicContact CE2-CG 3.74Å; F951-Y955 HydrophobicContact CG-CG 4.49Å; F951-Y955 HydrophobicContact CZ-CG 4.44Å; F951-Y955 WeakPolarHBondContact O-CA 3.33Å; F951-Y955 WeakPolarHBondContact O-CB 3.42Å; F951-Y955 PolarHBondContact O-N 3.22Å; Y955-K961 WeakPolarHBondContact O-CE 3.21Å; Y955-K961 PolarHBondContact O-NZ 3.21Å |
| 956 | L | 84.2 | Confident | 82 | Confident | 49 Ų | 49 | 42.6 Ų | 42.6 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -96.3 | -2.3 | 173.5 | -59.8 | -173.7 | 0 | 0 | 0 | 113.3 | W878 N879 F951 Y952 P958 | W878-L956 WeakPolarHBondContact O-CD2 3.39Å; N879-L956 WeakPolarHBondContact OD1-CD2 3.28Å; F951-L956 HydrophobicContact CD1-CG 4.41Å; F951-L956 HydrophobicContact CE1-CD2 3.94Å; F951-L956 HydrophobicContact CE1-CG 4.01Å; F951-L956 PolarHBondContact O-N 3.09Å; Y952-L956 HydrophobicContact CD1-CD1 3.29Å; Y952-L956 HydrophobicContact CD1-CG 4.44Å; Y952-L956 HydrophobicContact CE1-CD1 3.5Å; Y952-L956 HydrophobicContact CG-CD1 4.2Å; L956-P958 VanDerWaalsContact O-CD 3.23Å; L956-P958 WeakPolarHBondContact O-CD 3.42Å |
| 957 | N | 81.8 | Confident | 81.4 | Confident | 50 Ų | 50 | 38.4 Ų | 38.4 | 27% | 0.267 | 19% | 0.188 | S | C | . | . | trans | -82.7 | 113 | 177.1 | -173.9 | -6.5 | 0 | 0 | 0 | 110.4 | T959 K960 | N957-T959 VanDerWaalsContact CG-OG1 3.29Å; N957-T959 PolarHBondContact ND2-OG1 2.92Å; N957-T959 PolarHBondContact O-N 2.81Å; N957-T959 PolarHBondContact OD1-N 2.94Å; N957-T959 PolarHBondContact OD1-OG1 3.04Å; N957-K960 HydrophobicContact CB-CG 4.41Å; N957-K960 PolarHBondContact O-N 2.84Å; N957-K960 VanDerWaalsContact O-N 3.08Å | ||
| 958 | P | 76.2 | Confident | 80.4 | Confident | 61 Ų | 61 | 38.7 Ų | 38.7 | 40% | 0.396 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -63.6 | -23.7 | 179 | 24.2 | -31.5 | 0 | 0 | 0 | 112.9 | L956 K960 K961 I983 | L956-P958 VanDerWaalsContact O-CD 3.23Å; L956-P958 WeakPolarHBondContact O-CD 3.42Å; P958-K960 PolarHBondContact O-N 3.09Å; P958-K960 VanDerWaalsContact O-N 3.08Å; P958-K961 PolarHBondContact O-N 2.86Å; P958-I983 HydrophobicContact CB-CG2 3.78Å; P958-I983 WeakPolarHBondContact O-CD1 3.29Å |
| 959 | T | 76.1 | Confident | 79.2 | Confident | 89 Ų | 89 | 41.7 Ų | 41.7 | 55% | 0.546 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -72.9 | 3.7 | 175.8 | 77.9 | 0 | 0 | 0 | 0 | 113.4 | P775 N957 | P775-T959 VanDerWaalsContact CG-C 3.47Å; P775-T959 WeakPolarHBondContact CG-O 3.44Å; N957-T959 VanDerWaalsContact CG-OG1 3.29Å; N957-T959 PolarHBondContact ND2-OG1 2.92Å; N957-T959 PolarHBondContact O-N 2.81Å; N957-T959 PolarHBondContact OD1-N 2.94Å; N957-T959 PolarHBondContact OD1-OG1 3.04Å |
| 960 | K | 76.9 | Confident | 77.1 | Confident | 55 Ų | 55 | 39.9 Ų | 39.9 | 24% | 0.239 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -116.7 | 3.9 | 175.1 | -68.8 | -168.3 | 170.1 | -165 | 0 | 112.7 | R799 T954 N957 P958 | R799-K960 PolarHBondContact N-O 3.18Å; R799-K960 WeakPolarHBondContact O-CB 3.16Å; R799-K960 WeakPolarHBondContact O-CD 3.49Å; T954-K960 HydrophobicContact CG2-CD 3.87Å; N957-K960 HydrophobicContact CB-CG 4.41Å; N957-K960 PolarHBondContact O-N 2.84Å; N957-K960 VanDerWaalsContact O-N 3.08Å; P958-K960 PolarHBondContact O-N 3.09Å; P958-K960 VanDerWaalsContact O-N 3.08Å |
| 961 | K | 78.6 | Confident | 74.8 | Confident | 18 Ų | 18 | 44.6 Ų | 44.6 | 8% | 0.078 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 127.9 | -175.5 | -69 | -172.2 | 174.5 | -173 | 0 | 111.8 | P775 G776 F797 E798 Y955 P958 | P775-K961 WeakPolarHBondContact CA-O 3.48Å; G776-K961 PolarHBondContact N-O 2.88Å; G776-K961 VanDerWaalsContact N-O 3.13Å; F797-K961 WeakPolarHBondContact O-CA 3.38Å; E798-K961 HydrophobicContact CG-CG 4.46Å; Y955-K961 WeakPolarHBondContact O-CE 3.21Å; Y955-K961 PolarHBondContact O-NZ 3.21Å; P958-K961 PolarHBondContact O-N 2.86Å |
| 962 | I | 78.7 | Confident | 72.2 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 123.9 | 168.5 | -66 | 165.3 | 0 | 0 | 0 | 106.7 | W697 L773 Y778 Q796 F797 I964 | W697-I962 HydrophobicContact CH2-CD1 3.9Å; L773-I962 HydrophobicContact CB-CD1 3.9Å; Y778-I962 HydrophobicContact CD2-CG2 3.92Å; Y778-I962 HydrophobicContact CE2-CG2 3.97Å; Q796-I962 CarbonylContact C-O 3.47Å; Q796-I962 WeakPolarHBondContact CA-O 3.37Å; F797-I962 HydrophobicContact CB-CB 4.37Å; F797-I962 PolarHBondContact N-O 3.14Å; F797-I962 PolarHBondContact O-N 3.44Å; I962-I964 HydrophobicContact CG2-CG1 4.38Å |
| 963 | T | 78.2 | Confident | 69.6 | Low | 10 Ų | 10 | 54 Ų | 54 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 123.8 | 176.7 | -51.7 | 0 | 0 | 0 | 0 | 108.6 | G776 I777 Y778 I794 I795 Q796 | G776-T963 PolarHBondContact O-N 3.45Å; I777-T963 CarbonylContact C-O 3.55Å; I777-T963 WeakPolarHBondContact CA-O 3.22Å; Y778-T963 PolarHBondContact N-O 2.84Å; I794-T963 HydrophobicContact CG2-CG2 3.85Å; I795-T963 CarbonylContact O-C 3.55Å; I795-T963 WeakPolarHBondContact O-CA 3.46Å; Q796-T963 PolarHBondContact NE2-OG1 2.78Å |
| 964 | I | 74.2 | Confident | 67 | Low | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 128.8 | 175.6 | -52.2 | 171.1 | 0 | 0 | 0 | 107.7 | L696 Y778 I794 I795 F797 I962 V966 | L696-I964 HydrophobicContact CD1-CD1 3.19Å; L696-I964 HydrophobicContact CD1-CG1 4.06Å; Y778-I964 CarbonylContact O-C 3.57Å; Y778-I964 WeakPolarHBondContact O-CA 3.13Å; I794-I964 WeakPolarHBondContact CA-O 3.45Å; I795-I964 HydrophobicContact CB-CB 4.49Å; I795-I964 PolarHBondContact N-O 3.07Å; I795-I964 PolarHBondContact O-N 3.1Å; F797-I964 HydrophobicContact CD2-CD1 4.29Å; F797-I964 HydrophobicContact CE2-CD1 3.59Å; F797-I964 HydrophobicContact CE2-CG1 4.21Å; F797-I964 HydrophobicContact CZ-CD1 4.42Å; I962-I964 HydrophobicContact CG2-CG1 4.38Å; I964-V966 HydrophobicContact CG2-CG2 4.01Å |
| 965 | F | 76.6 | Confident | 64.5 | Low | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 109 | 177.7 | -144.4 | -74 | 0 | 0 | 0 | 108.5 | Y778 Y779 Y780 H792 I794 K867 L870 I871 | Y778-F965 PolarHBondContact O-N 2.96Å; Y779-F965 WeakPolarHBondContact CA-O 3.03Å; Y779-F965 HydrophobicContact CD1-CB 3.6Å; Y779-F965 HydrophobicContact CD1-CD1 4.38Å; Y779-F965 HydrophobicContact CD1-CG 4.06Å; Y779-F965 HydrophobicContact CE1-CB 3.83Å; Y779-F965 HydrophobicContact CE1-CD1 4.44Å; Y779-F965 HydrophobicContact CE1-CD2 4.31Å; Y779-F965 AromaticContact CE1-CG 3.94Å; Y779-F965 HydrophobicContact CE1-CG 3.94Å; Y779-F965 HydrophobicContact CG-CB 4.43Å; Y780-F965 PolarHBondContact N-O 3.11Å; H792-F965 HydrophobicContact CB-CE1 3.67Å; H792-F965 HydrophobicContact CB-CZ 4.15Å; H792-F965 AromaticContact CD2-CE1 3.48Å; H792-F965 VanDerWaalsContact CD2-CE1 3.48Å; H792-F965 WeakPolarHBondContact CD2-CE1 3.4Å; H792-F965 AromaticContact CG-CE1 3.67Å; I794-F965 HydrophobicContact CD1-CD2 4.11Å; I794-F965 HydrophobicContact CD1-CE2 3.29Å; I794-F965 HydrophobicContact CD1-CZ 3.6Å; I794-F965 HydrophobicContact CG1-CD2 3.78Å; I794-F965 HydrophobicContact CG1-CE1 4.28Å; I794-F965 HydrophobicContact CG1-CE2 3.41Å; I794-F965 VanDerWaalsContact CG1-CE2 3.41Å; I794-F965 HydrophobicContact CG1-CG 4.36Å; I794-F965 HydrophobicContact CG1-CZ 3.66Å; I794-F965 HydrophobicContact CG2-CD2 4.3Å; I794-F965 HydrophobicContact CG2-CE2 4.49Å; K867-F965 HydrophobicContact CB-CE1 4.01Å; K867-F965 HydrophobicContact CB-CE2 3.9Å; K867-F965 HydrophobicContact CB-CZ 3.51Å; K867-F965 HydrophobicContact CD-CD1 4.19Å; K867-F965 HydrophobicContact CD-CE1 3.79Å; K867-F965 HydrophobicContact CD-CZ 4.19Å; K867-F965 HydrophobicContact CG-CD1 4.45Å; K867-F965 HydrophobicContact CG-CE1 3.59Å; K867-F965 HydrophobicContact CG-CE2 4.41Å; K867-F965 HydrophobicContact CG-CZ 3.59Å; L870-F965 HydrophobicContact CD1-CZ 4.43Å; I871-F965 HydrophobicContact CD1-CD2 4.41Å; I871-F965 HydrophobicContact CD1-CE2 4.36Å; I871-F965 HydrophobicContact CG1-CE2 4.28Å |
| 966 | V | 71.7 | Confident | 62.3 | Low | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 117.5 | 178.1 | -169.4 | 0 | 0 | 0 | 0 | 108.7 | I692 Y780 V782 Q793 I964 F968 | I692-V966 HydrophobicContact CD1-CG1 3.89Å; I692-V966 HydrophobicContact CD1-CG2 4.02Å; Y780-V966 HydrophobicContact CD1-CG1 4.48Å; Y780-V966 CarbonylContact O-C 3.53Å; Y780-V966 VanDerWaalsContact O-CA 3.31Å; Y780-V966 WeakPolarHBondContact O-CA 3.33Å; V782-V966 HydrophobicContact CG2-CG1 3.54Å; Q793-V966 HydrophobicContact CB-CB 4.29Å; Q793-V966 PolarHBondContact N-O 3.46Å; Q793-V966 PolarHBondContact O-N 2.67Å; I964-V966 HydrophobicContact CG2-CG2 4.01Å; V966-F968 HydrophobicContact CB-CE2 4.05Å; V966-F968 HydrophobicContact CG1-CD2 4.24Å; V966-F968 HydrophobicContact CG1-CE1 4.41Å; V966-F968 HydrophobicContact CG1-CE2 3.48Å; V966-F968 VanDerWaalsContact CG1-CE2 3.48Å; V966-F968 HydrophobicContact CG1-CZ 3.6Å |
| 967 | D | 73.8 | Confident | 59.8 | Low | 5 Ų | 5 | 66.2 Ų | 66.2 | 3% | 0.027 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 116.1 | -174.3 | -164.7 | 4.8 | 0 | 0 | 0 | 110.2 | Y780 S781 V782 H792 K867 K969 | Y780-D967 PolarHBondContact O-N 3.2Å; S781-D967 CarbonylContact C-O 3.42Å; S781-D967 WeakPolarHBondContact CA-O 3.29Å; V782-D967 PolarHBondContact N-O 3.46Å; H792-D967 IonicContact CD2-OD1 2.86Å; H792-D967 PolarHBondContact CD2-OD1 3.03Å; H792-D967 IonicContact NE2-OD1 2.93Å; H792-D967 PolarHBondContact NE2-OD1 3.14Å; K867-D967 WeakPolarHBondContact CE-OD2 3.49Å; K867-D967 IonicContact NZ-OD2 3.15Å; K867-D967 PolarHBondContact NZ-OD2 2.86Å; D967-K969 WeakPolarHBondContact OD2-CE 3.38Å; D967-K969 IonicContact OD2-NZ 3.61Å; D967-K969 PolarHBondContact OD2-NZ 3.2Å |
| 968 | F | 66.8 | Low | 57.8 | Low | 5 Ų | 5 | 68.4 Ų | 68.4 | 2% | 0.022 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 98.8 | -177.5 | -65.9 | -92.8 | 0 | 0 | 0 | 110 | P685 I688 V782 F791 Q793 L862 V966 | P685-F968 HydrophobicContact CB-CE1 4.48Å; P685-F968 HydrophobicContact CB-CE2 4.32Å; P685-F968 HydrophobicContact CB-CZ 3.99Å; I688-F968 HydrophobicContact CB-CE1 4.3Å; I688-F968 HydrophobicContact CB-CZ 4.24Å; I688-F968 HydrophobicContact CD1-CE1 3.58Å; I688-F968 HydrophobicContact CD1-CZ 4.31Å; I688-F968 HydrophobicContact CG2-CE1 4.08Å; I688-F968 HydrophobicContact CG2-CZ 4.08Å; V782-F968 HydrophobicContact CB-CD1 3.86Å; V782-F968 HydrophobicContact CB-CE1 3.89Å; V782-F968 HydrophobicContact CG1-CD1 4.22Å; V782-F968 HydrophobicContact CG1-CE1 4.07Å; V782-F968 HydrophobicContact CG2-CE1 4.13Å; V782-F968 HydrophobicContact CG2-CZ 4.47Å; V782-F968 WeakPolarHBondContact O-CA 3.3Å; F791-F968 AromaticContact CD2-CD2 3.91Å; F791-F968 HydrophobicContact CD2-CD2 3.91Å; F791-F968 HydrophobicContact CD2-CE2 4.23Å; F791-F968 HydrophobicContact CE2-CB 4.42Å; F791-F968 HydrophobicContact CE2-CD1 4.37Å; F791-F968 AromaticContact CE2-CD2 3.14Å; F791-F968 HydrophobicContact CE2-CD2 3.14Å; F791-F968 HydrophobicContact CE2-CE1 4.48Å; F791-F968 AromaticContact CE2-CE2 3.3Å; F791-F968 HydrophobicContact CE2-CE2 3.3Å; F791-F968 AromaticContact CE2-CG 3.73Å; F791-F968 HydrophobicContact CE2-CG 3.73Å; F791-F968 AromaticContact CE2-CZ 3.98Å; F791-F968 HydrophobicContact CE2-CZ 3.98Å; F791-F968 HydrophobicContact CZ-CB 4.13Å; F791-F968 AromaticContact CZ-CD1 4Å; F791-F968 HydrophobicContact CZ-CD1 4Å; F791-F968 AromaticContact CZ-CD2 3.56Å; F791-F968 HydrophobicContact CZ-CD2 3.56Å; F791-F968 HydrophobicContact CZ-CE1 4.29Å; F791-F968 AromaticContact CZ-CE2 3.9Å; F791-F968 HydrophobicContact CZ-CE2 3.9Å; F791-F968 AromaticContact CZ-CG 3.6Å; F791-F968 HydrophobicContact CZ-CG 3.6Å; F791-F968 HydrophobicContact CZ-CZ 4.23Å; F791-F968 WeakPolarHBondContact O-CD2 3.33Å; Q793-F968 HydrophobicContact CB-CE2 4.29Å; L862-F968 VanDerWaalsContact CD1-O 3.31Å; L862-F968 WeakPolarHBondContact CD1-O 3.32Å; V966-F968 HydrophobicContact CB-CE2 4.05Å; V966-F968 HydrophobicContact CG1-CD2 4.24Å; V966-F968 HydrophobicContact CG1-CE1 4.41Å; V966-F968 HydrophobicContact CG1-CE2 3.48Å; V966-F968 VanDerWaalsContact CG1-CE2 3.48Å; V966-F968 HydrophobicContact CG1-CZ 3.6Å |
| 969 | K | 61.1 | Low | 55.9 | Low | 102 Ų | 102 | 71.4 Ų | 71.4 | 44% | 0.443 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 152.9 | -175.6 | -74.8 | -179.8 | 171 | 164.4 | 0 | 112.5 | V782 N784 D967 | V782-K969 PolarHBondContact O-N 3.11Å; V782-K969 VanDerWaalsContact O-N 3.14Å; N784-K969 WeakPolarHBondContact CB-O 3.44Å; N784-K969 PolarHBondContact N-O 3.09Å; D967-K969 WeakPolarHBondContact OD2-CE 3.38Å; D967-K969 IonicContact OD2-NZ 3.61Å; D967-K969 PolarHBondContact OD2-NZ 3.2Å |
| 970 | E | 46 | Very low | 54 | Low | 102 Ų | 102 | 71.5 Ų | 71.5 | 48% | 0.477 | 38% | 0.38 | S | S | . | . | trans | -67.7 | 138.4 | 167.8 | -84.1 | 169.7 | 135 | 0 | 0 | 110 | K790 T972 | K790-E970 WeakPolarHBondContact CE-OE2 3.49Å; K790-E970 IonicContact NZ-OE2 3.72Å; K790-E970 PolarHBondContact NZ-OE2 3.05Å; E970-T972 PolarHBondContact O-N 3.28Å; E970-T972 PolarHBondContact O-OG1 2.88Å | ||
| 971 | D | 39.6 | Very low | 51.8 | Low | 121 Ų | 121 | 73 Ų | 73 | 65% | 0.647 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -45.2 | 102 | -177.8 | -88.3 | -31.2 | 0 | 0 | 0 | 112.4 | P783 | P783-D971 WeakPolarHBondContact CB-OD1 2.86Š|
| 972 | T | 33 | Very low | 49.6 | Very low | 123 Ų | 123 | 77.3 Ų | 77.3 | 76% | 0.755 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -138.8 | 99.1 | 156.9 | 37.7 | 0 | 0 | 0 | 0 | 106.4 | E970 | E970-T972 PolarHBondContact O-N 3.28Å; E970-T972 PolarHBondContact O-OG1 2.88Å |
| 973 | E | 33.3 | Very low | 47.4 | Very low | 174 Ų | 174 | 79.3 Ų | 79.3 | 81% | 0.813 | 42% | 0.424 | S | S | * | . | trans | 55.2 | 97.8 | 176.3 | -62.4 | -176.8 | 171.4 | 0 | 0 | 115.6 | N975 | E973-N975 PolarHBondContact O-N 3.33Š| ||
| 974 | S | 30.9 | Very low | 45.3 | Very low | 105 Ų | 105 | 83.9 Ų | 83.9 | 73% | 0.734 | 45% | 0.452 | S | S | * | . | trans | -56 | 101.2 | 162 | 60 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 975 | N | 32.4 | Very low | 43.4 | Very low | 117 Ų | 117 | 91.9 Ų | 91.9 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | trans | -121.5 | 111.4 | 158.2 | -84.2 | -35.7 | 0 | 0 | 0 | 107.2 | E973 L977 | E973-N975 PolarHBondContact O-N 3.33Å; N975-L977 HydrophobicContact CB-CD1 4.33Å; N975-L977 PolarHBondContact O-N 2.99Å | ||
| 976 | D | 37.9 | Very low | 41.2 | Very low | 142 Ų | 142 | 96.7 Ų | 96.7 | 76% | 0.759 | 51% | 0.51 | S | S | * | . | trans | -61.2 | 89 | 166.9 | -71.4 | -36 | 0 | 0 | 0 | 107.9 | ||||
| 977 | L | 33 | Very low | 39.2 | Very low | 107 Ų | 107 | 103.8 Ų | 103.8 | 56% | 0.56 | 55% | 0.548 | S | S | * | . | trans | -123.3 | 103.2 | 174.4 | -116.3 | 122.5 | 0 | 0 | 0 | 109.6 | N975 E979 | N975-L977 HydrophobicContact CB-CD1 4.33Å; N975-L977 PolarHBondContact O-N 2.99Å; L977-E979 HydrophobicContact CD2-CG 3.66Å; L977-E979 PolarHBondContact O-N 3.14Å | ||
| 978 | I | 39 | Very low | 37 | Very low | 96 Ų | 96 | 112.8 Ų | 112.8 | 49% | 0.492 | 59% | 0.587 | S | S | . | * | trans | -81 | 96.6 | 162.4 | -60.6 | -179.3 | 0 | 0 | 0 | 106.5 | Y778 Y780 | Y778-I978 HydrophobicContact CD1-CG2 3.51Å; Y778-I978 HydrophobicContact CE1-CG2 4.2Å; Y780-I978 HydrophobicContact CD2-CG1 4.49Å | ||
| 979 | E | 35.9 | Very low | 35.2 | Very low | 123 Ų | 123 | 118.4 Ų | 118.4 | 58% | 0.575 | 62% | 0.622 | S | S | * | * | trans | -86.8 | 128.5 | 167.9 | -74.8 | -170.7 | 156.1 | 0 | 0 | 110.1 | L977 | L977-E979 HydrophobicContact CD2-CG 3.66Å; L977-E979 PolarHBondContact O-N 3.14Å | ||
| 980 | S | 35.9 | Very low | 33.6 | Very low | 92 Ų | 92 | 120.7 Ų | 120.7 | 64% | 0.643 | 64% | 0.639 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.6 | 129 | 175.5 | 64.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 981 | L | 30.4 | Very low | 32.7 | Very low | 87 Ų | 87 | 125.8 Ų | 125.8 | 46% | 0.455 | 66% | 0.66 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119 | 132.7 | 173.1 | -105.2 | 132.7 | 0 | 0 | 0 | 110.9 | I777 | I777-L981 PolarHBondContact O-N 3.18Å |
| 982 | D | 32.9 | Very low | 32.5 | Very low | 107 Ų | 107 | 121.2 Ų | 121.2 | 57% | 0.572 | 64% | 0.636 | S | S | * | * | trans | -75.3 | 127.4 | -176 | -161.9 | -16.1 | 0 | 0 | 0 | 111.5 | T984 K985 | D982-T984 PolarHBondContact O-N 3.39Å; D982-T984 PolarHBondContact OD1-OG1 2.91Å; D982-K985 PolarHBondContact O-N 3.36Å | ||
| 983 | I | 33.4 | Very low | 32.7 | Very low | 43 Ų | 43 | 120.4 Ų | 120.4 | 22% | 0.221 | 63% | 0.632 | C | S | . | * | G | 310 helix | trans | -62.6 | -19.7 | -168.2 | -59.5 | 168 | 0 | 0 | 0 | 112.1 | P775 P958 K985 | P775-I983 HydrophobicContact CB-CD1 4.34Å; P958-I983 HydrophobicContact CB-CG2 3.78Å; P958-I983 WeakPolarHBondContact O-CD1 3.29Å; I983-K985 VanDerWaalsContact C-N 3.31Å; I983-K985 PolarHBondContact O-N 2.97Å |
| 984 | T | 34.2 | Very low | 33 | Very low | 106 Ų | 106 | 115.6 Ų | 115.6 | 65% | 0.65 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -73.8 | -11.7 | -174.2 | 51 | 0 | 0 | 0 | 0 | 115.2 | D982 | D982-T984 PolarHBondContact O-N 3.39Å; D982-T984 PolarHBondContact OD1-OG1 2.91Å |
| 985 | K | 33.9 | Very low | 33.1 | Very low | 173 Ų | 173 | 113 Ų | 113 | 75% | 0.752 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -96 | -7.3 | -170.8 | -75.8 | -176.4 | 179.4 | 174.8 | 0 | 116.9 | D982 I983 | D982-K985 PolarHBondContact O-N 3.36Å; I983-K985 VanDerWaalsContact C-N 3.31Å; I983-K985 PolarHBondContact O-N 2.97Å |
| 986 | M | 30.6 | Very low | 33.2 | Very low | 100 Ų | 100 | 113.8 Ų | 113.8 | 49% | 0.493 | 59% | 0.594 | S | S | . | * | trans | -107 | 91.6 | 179.2 | -75.4 | -163.3 | 177 | 0 | 0 | 111.5 | ||||
| 987 | N | 29.3 | Very low | 33.2 | Very low | 149 Ų | 149 | 110.3 Ų | 110.3 | 80% | 0.797 | 58% | 0.581 | S | S | * | * | trans | -146.3 | 60.6 | 168.3 | -99.6 | -27.7 | 0 | 0 | 0 | 110.6 | ||||
| 988 | K | 27.5 | Very low | 33 | Very low | 195 Ų | 195 | 109.3 Ų | 109.3 | 85% | 0.848 | 57% | 0.571 | S | S | * | * | trans | -144.6 | 111.2 | 162.7 | -71.4 | -167.8 | 179.4 | 176.5 | 0 | 111 | ||||
| 989 | T | 27.9 | Very low | 32.5 | Very low | 122 Ų | 122 | 108 Ų | 108 | 75% | 0.748 | 56% | 0.564 | S | S | * | * | trans | 60 | 105.8 | 148.3 | 56.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 990 | N | 28.2 | Very low | 32.3 | Very low | 151 Ų | 151 | 110.3 Ų | 110.3 | 81% | 0.807 | 57% | 0.572 | S | S | * | * | -167.4 | 131.5 | 115.6 | -92.5 | -21.1 | 0 | 0 | 0 | 110.9 | |||||
| 991 | F | 27.4 | Very low | 31.8 | Very low | 209 Ų | 209 | 111.5 Ų | 111.5 | 92% | 0.917 | 57% | 0.571 | S | S | * | * | trans | -74.3 | 136.7 | -177.4 | -116.6 | -97.6 | 0 | 0 | 0 | 111.1 | ||||
| 992 | N | 36 | Very low | 31.8 | Very low | 25 Ų | 25 | 115.9 Ų | 115.9 | 13% | 0.134 | 59% | 0.589 | C | S | . | * | trans | -85.5 | 120.8 | 175.6 | -170.8 | -17.4 | 0 | 0 | 0 | 110.6 | N994 | N992-N994 VanDerWaalsContact C-N 3.25Å; N992-N994 PolarHBondContact O-N 3.34Å; N992-N994 PolarHBondContact OD1-N 3.35Å; N992-N994 VanDerWaalsContact OD1-N 3.11Å | ||
| 993 | P | 36.6 | Very low | 31.6 | Very low | 105 Ų | 105 | 117.3 Ų | 117.3 | 68% | 0.682 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -17.3 | -179.3 | -16.6 | 29.6 | 0 | 0 | 0 | 114.8 | ||
| 994 | N | 40.4 | Very low | 31.5 | Very low | 74 Ų | 74 | 121.1 Ų | 121.1 | 40% | 0.396 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.7 | 1.1 | -171.4 | -76.6 | -27.1 | 0 | 0 | 0 | 115 | N992 N996 S997 | N992-N994 VanDerWaalsContact C-N 3.25Å; N992-N994 PolarHBondContact O-N 3.34Å; N992-N994 PolarHBondContact OD1-N 3.35Å; N992-N994 VanDerWaalsContact OD1-N 3.11Å; N994-N996 PolarHBondContact O-N 3.15Å; N994-S997 PolarHBondContact O-N 2.83Å; N994-S997 PolarHBondContact O-OG 3.12Å; N994-S997 VanDerWaalsContact O-OG 3.05Å |
| 995 | L | 32.6 | Very low | 31.1 | Very low | 50 Ų | 50 | 124 Ų | 124 | 26% | 0.262 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -60 | -31.6 | 175.6 | -131 | 87.9 | 0 | 0 | 0 | 112.1 | T876 S997 L999 | T876-L995 HydrophobicContact CG2-CD1 4.18Å; L995-S997 VanDerWaalsContact C-N 3.32Å; L995-S997 PolarHBondContact O-N 3.25Å; L995-L999 PolarHBondContact O-N 2.76Å |
| 996 | N | 33.7 | Very low | 30.7 | Very low | 133 Ų | 133 | 123 Ų | 123 | 71% | 0.711 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73.6 | -15.3 | -177 | -74.2 | -15 | 0 | 0 | 0 | 114.2 | N994 | N994-N996 PolarHBondContact O-N 3.15Å |
| 997 | S | 38.8 | Very low | 30.4 | Very low | 70 Ų | 70 | 123.1 Ų | 123.1 | 49% | 0.49 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -88 | -22.7 | 177.8 | 65.3 | 0 | 0 | 0 | 0 | 113.2 | N994 L995 | N994-S997 PolarHBondContact O-N 2.83Å; N994-S997 PolarHBondContact O-OG 3.12Å; N994-S997 VanDerWaalsContact O-OG 3.05Å; L995-S997 VanDerWaalsContact C-N 3.32Å; L995-S997 PolarHBondContact O-N 3.25Å |
| 998 | Y | 28.9 | Very low | 30.1 | Very low | 86 Ų | 86 | 122 Ų | 122 | 34% | 0.337 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -82.8 | -27.2 | 175.2 | -109.5 | -90.1 | 0 | 0 | 0 | 112.9 | Q824 Y825 K1000 | Q824-Y998 WeakPolarHBondContact CB-OH 3.17Å; Q824-Y998 WeakPolarHBondContact CG-OH 3.48Å; Q824-Y998 PolarHBondContact O-OH 3.43Å; Q824-Y998 VanDerWaalsContact O-OH 3.07Å; Y825-Y998 VanDerWaalsContact CA-OH 3.26Å; Y825-Y998 WeakPolarHBondContact CA-OH 3.4Å; Y825-Y998 HydrophobicContact CD2-CD2 4.5Å; Y825-Y998 HydrophobicContact CD2-CE2 4.2Å; Y825-Y998 PolarHBondContact N-OH 3.26Å; Y998-K1000 PolarHBondContact O-N 3.25Å |
| 999 | L | 28.6 | Very low | 30 | Very low | 67 Ų | 67 | 118.3 Ų | 118.3 | 35% | 0.351 | 62% | 0.624 | S | S | . | * | trans | -91.4 | 73.4 | 174.6 | -63.5 | 167.4 | 0 | 0 | 0 | 109.2 | L995 D1001 | L995-L999 PolarHBondContact O-N 2.76Å; L999-D1001 VanDerWaalsContact C-N 3.34Å; L999-D1001 PolarHBondContact O-N 2.81Å | ||
| 1000 | K | 30 | Very low | 29.9 | Very low | 173 Ų | 173 | 119.1 Ų | 119.1 | 75% | 0.752 | 63% | 0.629 | S | S | * | * | trans | -83.3 | 92.4 | 159.2 | -79.1 | -167.1 | 177 | -176.2 | 0 | 108.2 | Y998 E1002 | Y998-K1000 PolarHBondContact O-N 3.25Å; K1000-E1002 VanDerWaalsContact C-N 3.3Å; K1000-E1002 PolarHBondContact O-N 3.38Å | ||
| 1001 | D | 27.2 | Very low | 29.8 | Very low | 116 Ų | 116 | 118.9 Ų | 118.9 | 62% | 0.62 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 82.9 | 168.5 | -75.4 | -38.8 | 0 | 0 | 0 | 111 | L999 | L999-D1001 VanDerWaalsContact C-N 3.34Å; L999-D1001 PolarHBondContact O-N 2.81Å |
| 1002 | E | 28.8 | Very low | 29.8 | Very low | 179 Ų | 179 | 117 Ų | 117 | 84% | 0.836 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.3 | -21.5 | 154 | -72.6 | -168.1 | 154 | 0 | 0 | 113.2 | K1000 | K1000-E1002 VanDerWaalsContact C-N 3.3Å; K1000-E1002 PolarHBondContact O-N 3.38Å |
| 1003 | D | 30.2 | Very low | 29.6 | Very low | 138 Ų | 138 | 121.9 Ų | 121.9 | 74% | 0.738 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -92.9 | -3 | 178.5 | -65.2 | -40.5 | 0 | 0 | 0 | 115 | ||
| 1004 | L | 30.8 | Very low | 29.3 | Very low | 122 Ų | 122 | 123 Ų | 123 | 64% | 0.639 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -95.8 | -1.5 | -174.1 | -87.2 | 157.2 | 0 | 0 | 0 | 115.2 | ||
| 1005 | M | 25.9 | Very low | 28.8 | Very low | 166 Ų | 166 | 126.9 Ų | 126.9 | 82% | 0.818 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -106.1 | -0.8 | -171.9 | -80.2 | -68.5 | -174.9 | 0 | 0 | 116.3 | ||
| 1006 | N | 24.5 | Very low | 29.4 | Very low | 154 Ų | 154 | 128.8 Ų | 128.8 | 82% | 0.824 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -129.3 | 37.6 | -172.8 | -80 | -27.9 | 0 | 0 | 0 | 116.1 | ||
| 1007 | T | 24.2 | Very low | 29.3 | Very low | 101 Ų | 101 | 126.9 Ų | 126.9 | 62% | 0.62 | 66% | 0.66 | S | S | * | * | trans | -126.5 | 115.5 | 162 | 38.4 | 0 | 0 | 0 | 0 | 111.4 | I1009 | T1007-I1009 VanDerWaalsContact C-N 3.28Å; T1007-I1009 PolarHBondContact O-N 3.38Å | ||
| 1008 | P | 23.3 | Very low | 29.1 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 83% | 0.825 | 66% | 0.659 | S | S | * | * | trans | -75.2 | 86.1 | 170.8 | 30.6 | -29.4 | 0 | 0 | 0 | 108.1 | T1010 | P1008-T1010 PolarHBondContact O-N 3.16Š| ||
| 1009 | I | 27 | Very low | 29.4 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 60% | 0.6 | 66% | 0.662 | S | S | * | * | trans | -80.8 | 98.8 | 173 | -52.9 | 176.6 | 0 | 0 | 0 | 108 | T1007 L1011 | T1007-I1009 VanDerWaalsContact C-N 3.28Å; T1007-I1009 PolarHBondContact O-N 3.38Å; I1009-L1011 VanDerWaalsContact C-N 3.28Å; I1009-L1011 HydrophobicContact CB-CD1 4.24Å; I1009-L1011 HydrophobicContact CG2-CB 4.27Å; I1009-L1011 HydrophobicContact CG2-CD1 3.48Å; I1009-L1011 VanDerWaalsContact CG2-CD1 3.48Å; I1009-L1011 HydrophobicContact CG2-CG 3.79Å; I1009-L1011 PolarHBondContact O-N 2.88Å | ||
| 1010 | T | 24.2 | Very low | 29.7 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 85% | 0.853 | 67% | 0.674 | S | S | * | * | trans | -64.2 | 87.4 | 162.8 | 41.6 | 0 | 0 | 0 | 0 | 109.7 | P1008 N1012 | P1008-T1010 PolarHBondContact O-N 3.16Å; T1010-N1012 PolarHBondContact O-N 3.27Å | ||
| 1011 | L | 27.9 | Very low | 29.9 | Very low | 145 Ų | 145 | 130 Ų | 130 | 76% | 0.759 | 67% | 0.668 | S | S | * | * | trans | -93.6 | 76.5 | -179.1 | -116 | 146.5 | 0 | 0 | 0 | 110.3 | I1009 | I1009-L1011 VanDerWaalsContact C-N 3.28Å; I1009-L1011 HydrophobicContact CB-CD1 4.24Å; I1009-L1011 HydrophobicContact CG2-CB 4.27Å; I1009-L1011 HydrophobicContact CG2-CD1 3.48Å; I1009-L1011 VanDerWaalsContact CG2-CD1 3.48Å; I1009-L1011 HydrophobicContact CG2-CG 3.79Å; I1009-L1011 PolarHBondContact O-N 2.88Å | ||
| 1012 | N | 26.1 | Very low | 30.3 | Very low | 171 Ų | 171 | 129 Ų | 129 | 91% | 0.914 | 66% | 0.662 | S | S | * | * | trans | -92.9 | 83.9 | 163.2 | -103.6 | -13.5 | 0 | 0 | 0 | 108.2 | T1010 | T1010-N1012 PolarHBondContact O-N 3.27Š| ||
| 1013 | D | 31.4 | Very low | 30.7 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 68% | 0.679 | 65% | 0.65 | S | S | * | * | trans | -133 | 128.5 | 145.5 | -152.9 | -14.4 | 0 | 0 | 0 | 109.3 | R1015 | D1013-R1015 PolarHBondContact O-N 3.34Š| ||
| 1014 | L | 29.9 | Very low | 30.9 | Very low | 127 Ų | 127 | 126.5 Ų | 126.5 | 67% | 0.665 | 65% | 0.647 | S | S | * | * | trans | -67.9 | 17.2 | -174.1 | -116.2 | 134.4 | 0 | 0 | 0 | 111.9 | K1017 | L1014-K1017 VanDerWaalsContact C-CD 3.48Å; L1014-K1017 HydrophobicContact CB-CD 4.26Å; L1014-K1017 HydrophobicContact CD2-CD 3.7Å; L1014-K1017 HydrophobicContact CG-CD 4.02Å; L1014-K1017 WeakPolarHBondContact O-CB 3.28Å; L1014-K1017 WeakPolarHBondContact O-CD 3.38Å; L1014-K1017 WeakPolarHBondContact O-CG 3.36Å | ||
| 1015 | R | 31.7 | Very low | 31.3 | Very low | 157 Ų | 157 | 126.7 Ų | 126.7 | 59% | 0.592 | 64% | 0.644 | S | S | * | * | trans | -135.4 | -138.7 | 169.3 | -114.9 | 162.1 | -175.8 | -177.8 | 0.8 | 112.3 | D1013 K1017 | D1013-R1015 PolarHBondContact O-N 3.34Å; R1015-K1017 VanDerWaalsContact CB-N 3.35Å; R1015-K1017 HydrophobicContact CG-CB 4.18Å; R1015-K1017 WeakPolarHBondContact O-CA 3.29Å; R1015-K1017 PolarHBondContact O-N 3.09Å | ||
| 1016 | T | 44.5 | Very low | 31.8 | Very low | 89 Ų | 89 | 124.4 Ų | 124.4 | 55% | 0.546 | 63% | 0.634 | S | S | . | * | S | Bend | -29 | 59.4 | -66.3 | 24.5 | 0 | 0 | 0 | 0 | 114.4 | Q1018 I1019 I1020 | T1016-Q1018 PolarHBondContact O-N 3.49Å; T1016-Q1018 VanDerWaalsContact O-N 3.15Å; T1016-I1019 HydrophobicContact CG2-CD1 3.83Å; T1016-I1019 HydrophobicContact CG2-CG1 4.44Å; T1016-I1019 VanDerWaalsContact O-CA 3.31Å; T1016-I1019 WeakPolarHBondContact O-CA 3.5Å; T1016-I1019 VanDerWaalsContact O-CB 3.25Å; T1016-I1019 WeakPolarHBondContact O-CB 3.35Å; T1016-I1019 PolarHBondContact O-N 3.24Å; T1016-I1020 PolarHBondContact O-N 3.25Å; T1016-I1020 VanDerWaalsContact O-N 3.16Å | |
| 1017 | K | 31.2 | Very low | 32.3 | Very low | 93 Ų | 93 | 123.1 Ų | 123.1 | 40% | 0.404 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.8 | -16.9 | -154.2 | -93.1 | -170.4 | -178 | 175.5 | 0 | 109.7 | L1014 R1015 R1021 | L1014-K1017 VanDerWaalsContact C-CD 3.48Å; L1014-K1017 HydrophobicContact CB-CD 4.26Å; L1014-K1017 HydrophobicContact CD2-CD 3.7Å; L1014-K1017 HydrophobicContact CG-CD 4.02Å; L1014-K1017 WeakPolarHBondContact O-CB 3.28Å; L1014-K1017 WeakPolarHBondContact O-CD 3.38Å; L1014-K1017 WeakPolarHBondContact O-CG 3.36Å; R1015-K1017 VanDerWaalsContact CB-N 3.35Å; R1015-K1017 HydrophobicContact CG-CB 4.18Å; R1015-K1017 WeakPolarHBondContact O-CA 3.29Å; R1015-K1017 PolarHBondContact O-N 3.09Å; K1017-R1021 WeakPolarHBondContact O-CB 3.39Å; K1017-R1021 WeakPolarHBondContact O-CG 3.32Å; K1017-R1021 PolarHBondContact O-N 3.24Å |
| 1018 | Q | 35 | Very low | 32.9 | Very low | 100 Ų | 100 | 120.8 Ų | 120.8 | 47% | 0.467 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.4 | -37.5 | 165.9 | -125.3 | 89.2 | 24.5 | 0 | 0 | 111.2 | T1016 R1021 N1022 | T1016-Q1018 PolarHBondContact O-N 3.49Å; T1016-Q1018 VanDerWaalsContact O-N 3.15Å; Q1018-R1021 CarbonylContact O-C 3.51Å; Q1018-R1021 PolarHBondContact O-N 3.04Å; Q1018-R1021 VanDerWaalsContact O-N 3.15Å; Q1018-N1022 PolarHBondContact O-N 2.72Å |
| 1019 | I | 34.9 | Very low | 33.4 | Very low | 76 Ų | 76 | 121.3 Ų | 121.3 | 39% | 0.39 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -74.1 | -38.8 | -179.6 | -53.4 | -175.1 | 0 | 0 | 0 | 110.5 | T1016 R1021 N1022 I1023 | T1016-I1019 HydrophobicContact CG2-CD1 3.83Å; T1016-I1019 HydrophobicContact CG2-CG1 4.44Å; T1016-I1019 VanDerWaalsContact O-CA 3.31Å; T1016-I1019 WeakPolarHBondContact O-CA 3.5Å; T1016-I1019 VanDerWaalsContact O-CB 3.25Å; T1016-I1019 WeakPolarHBondContact O-CB 3.35Å; T1016-I1019 PolarHBondContact O-N 3.24Å; I1019-R1021 PolarHBondContact O-N 2.93Å; I1019-N1022 PolarHBondContact O-N 3.39Å; I1019-I1023 PolarHBondContact O-N 3.47Å |
| 1020 | I | 35.7 | Very low | 33.9 | Very low | 119 Ų | 119 | 124.7 Ų | 124.7 | 61% | 0.61 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.2 | -23 | 168.5 | -64.3 | 175.7 | 0 | 0 | 0 | 112 | T1016 | T1016-I1020 PolarHBondContact O-N 3.25Å; T1016-I1020 VanDerWaalsContact O-N 3.16Å |
| 1021 | R | 34.1 | Very low | 34.6 | Very low | 168 Ų | 168 | 124.7 Ų | 124.7 | 63% | 0.634 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -87.4 | -30.1 | 174.1 | -86.2 | 179.4 | 173.4 | 153.2 | -2.7 | 114 | K1017 Q1018 I1019 K1024 H1025 | K1017-R1021 WeakPolarHBondContact O-CB 3.39Å; K1017-R1021 WeakPolarHBondContact O-CG 3.32Å; K1017-R1021 PolarHBondContact O-N 3.24Å; Q1018-R1021 CarbonylContact O-C 3.51Å; Q1018-R1021 PolarHBondContact O-N 3.04Å; Q1018-R1021 VanDerWaalsContact O-N 3.15Å; I1019-R1021 PolarHBondContact O-N 2.93Å; R1021-K1024 WeakPolarHBondContact O-CB 3.45Å; R1021-K1024 PolarHBondContact O-N 3.41Å; R1021-H1025 PolarHBondContact O-N 3.32Å |
| 1022 | N | 35.2 | Very low | 34.9 | Very low | 93 Ų | 93 | 123.9 Ų | 123.9 | 50% | 0.497 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -75.1 | -25.7 | -178.9 | -75.8 | -7.6 | 0 | 0 | 0 | 113 | Q1018 I1019 K1024 H1025 I1026 | Q1018-N1022 PolarHBondContact O-N 2.72Å; I1019-N1022 PolarHBondContact O-N 3.39Å; N1022-K1024 VanDerWaalsContact C-N 3.26Å; N1022-K1024 PolarHBondContact O-N 2.67Å; N1022-H1025 PolarHBondContact O-N 3.18Å; N1022-I1026 PolarHBondContact O-N 3.32Å |
| 1023 | I | 36.3 | Very low | 35.4 | Very low | 112 Ų | 112 | 120 Ų | 120 | 57% | 0.574 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.6 | -32.4 | 170.4 | -64.9 | 174.1 | 0 | 0 | 0 | 111.1 | I1019 H1025 I1026 E1027 | I1019-I1023 PolarHBondContact O-N 3.47Å; I1023-H1025 VanDerWaalsContact C-N 3.34Å; I1023-H1025 PolarHBondContact O-N 3.44Å; I1023-I1026 PolarHBondContact O-N 3.25Å; I1023-E1027 PolarHBondContact O-N 2.92Å |
| 1024 | K | 36.2 | Very low | 35.6 | Very low | 154 Ų | 154 | 118 Ų | 118 | 67% | 0.67 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -71.2 | -23.8 | 170.7 | -79.1 | -173.8 | 171.4 | -176.1 | 0 | 113.9 | R1021 N1022 S1028 | R1021-K1024 WeakPolarHBondContact O-CB 3.45Å; R1021-K1024 PolarHBondContact O-N 3.41Å; N1022-K1024 VanDerWaalsContact C-N 3.26Å; N1022-K1024 PolarHBondContact O-N 2.67Å; K1024-S1028 PolarHBondContact O-N 2.8Å |
| 1025 | H | 37.6 | Very low | 35.9 | Very low | 126 Ų | 126 | 120.4 Ų | 120.4 | 58% | 0.583 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -79 | -28.3 | 175.6 | -108.1 | -73.6 | 0 | 0 | 0 | 113 | R1021 N1022 I1023 E1027 S1028 F1029 | R1021-H1025 PolarHBondContact O-N 3.32Å; N1022-H1025 PolarHBondContact O-N 3.18Å; I1023-H1025 VanDerWaalsContact C-N 3.34Å; I1023-H1025 PolarHBondContact O-N 3.44Å; H1025-E1027 VanDerWaalsContact C-N 3.29Å; H1025-S1028 PolarHBondContact O-N 3.41Å; H1025-F1029 WeakPolarHBondContact O-CB 3.38Å; H1025-F1029 PolarHBondContact O-N 3.25Å |
| 1026 | I | 37.7 | Very low | 36.1 | Very low | 117 Ų | 117 | 120.8 Ų | 120.8 | 60% | 0.6 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.6 | -29.9 | 172.8 | -66.3 | 172.7 | 0 | 0 | 0 | 110.9 | N1022 I1023 R1030 | N1022-I1026 PolarHBondContact O-N 3.32Å; I1023-I1026 PolarHBondContact O-N 3.25Å; I1026-R1030 PolarHBondContact O-N 3.42Å |
| 1027 | E | 34.1 | Very low | 35.6 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 60% | 0.598 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -77.1 | -34.8 | 169.1 | -69.3 | -167.8 | 149.7 | 0 | 0 | 113.2 | I1023 H1025 R1030 M1031 | I1023-E1027 PolarHBondContact O-N 2.92Å; H1025-E1027 VanDerWaalsContact C-N 3.29Å; E1027-R1030 WeakPolarHBondContact O-CB 2.98Å; E1027-R1030 PolarHBondContact O-N 3.38Å; E1027-M1031 PolarHBondContact O-N 2.93Å |
| 1028 | S | 37.8 | Very low | 35.5 | Very low | 52 Ų | 52 | 129.2 Ų | 129.2 | 36% | 0.364 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.7 | -39.4 | 173.7 | -175.5 | 0 | 0 | 0 | 0 | 112.4 | K1024 H1025 R1030 M1031 E1032 | K1024-S1028 PolarHBondContact O-N 2.8Å; H1025-S1028 PolarHBondContact O-N 3.41Å; S1028-R1030 VanDerWaalsContact C-N 3.32Å; S1028-M1031 PolarHBondContact O-N 3.02Å; S1028-E1032 PolarHBondContact O-N 3.42Å; S1028-E1032 VanDerWaalsContact O-N 3.14Å |
| 1029 | F | 33.5 | Very low | 35.2 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 61% | 0.605 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -72.3 | -26.7 | 177.3 | -155.7 | -102.2 | 0 | 0 | 0 | 112.3 | H1025 I1033 | H1025-F1029 WeakPolarHBondContact O-CB 3.38Å; H1025-F1029 PolarHBondContact O-N 3.25Å; F1029-I1033 HydrophobicContact CD1-CD1 4.31Å; F1029-I1033 HydrophobicContact CE1-CD1 4.08Å |
| 1030 | R | 36.8 | Very low | 35.2 | Very low | 188 Ų | 188 | 134.1 Ų | 134.1 | 71% | 0.709 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -69.9 | -35.6 | 169.3 | -86.5 | 179.4 | 153.5 | 179.9 | -4.3 | 112.8 | I1026 E1027 S1028 T1034 | I1026-R1030 PolarHBondContact O-N 3.42Å; E1027-R1030 WeakPolarHBondContact O-CB 2.98Å; E1027-R1030 PolarHBondContact O-N 3.38Å; S1028-R1030 VanDerWaalsContact C-N 3.32Å; R1030-T1034 PolarHBondContact O-N 3.44Å; R1030-T1034 PolarHBondContact O-OG1 3.4Å |
| 1031 | M | 38.5 | Very low | 35.2 | Very low | 139 Ų | 139 | 134.9 Ų | 134.9 | 69% | 0.685 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -72.5 | -32.1 | 174.9 | -78.8 | -136.8 | -53.3 | 0 | 0 | 113.9 | E1027 S1028 T1034 K1035 | E1027-M1031 PolarHBondContact O-N 2.93Å; S1028-M1031 PolarHBondContact O-N 3.02Å; M1031-T1034 PolarHBondContact O-N 3.32Å; M1031-K1035 PolarHBondContact O-N 3.42Å |
| 1032 | E | 35.7 | Very low | 35.3 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 59% | 0.593 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -69.4 | -33.9 | 179.2 | -116.8 | 165.8 | 172.8 | 0 | 0 | 112.9 | S1028 | S1028-E1032 PolarHBondContact O-N 3.42Å; S1028-E1032 VanDerWaalsContact O-N 3.14Å |
| 1033 | I | 35.8 | Very low | 35.3 | Very low | 90 Ų | 90 | 135.4 Ų | 135.4 | 46% | 0.462 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -75.5 | -27.1 | 174.6 | -65.9 | 177.8 | 0 | 0 | 0 | 111.7 | F1029 K1035 Q1036 | F1029-I1033 HydrophobicContact CD1-CD1 4.31Å; F1029-I1033 HydrophobicContact CE1-CD1 4.08Å; I1033-K1035 VanDerWaalsContact C-N 3.35Å; I1033-Q1036 PolarHBondContact O-N 3.31Å |
| 1034 | T | 36.3 | Very low | 35.2 | Very low | 85 Ų | 85 | 136.9 Ų | 136.9 | 52% | 0.521 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -75.2 | -24.8 | 177.4 | -48.8 | 0 | 0 | 0 | 0 | 112.1 | R1030 M1031 | R1030-T1034 PolarHBondContact O-N 3.44Å; R1030-T1034 PolarHBondContact O-OG1 3.4Å; M1031-T1034 PolarHBondContact O-N 3.32Å |
| 1035 | K | 36.1 | Very low | 35.2 | Very low | 178 Ų | 178 | 135.7 Ų | 135.7 | 77% | 0.774 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -80.2 | -16.7 | 172.5 | -87.9 | -176.4 | 174.7 | 179.5 | 0 | 114.6 | M1031 I1033 | M1031-K1035 PolarHBondContact O-N 3.42Å; I1033-K1035 VanDerWaalsContact C-N 3.35Å |
| 1036 | Q | 34.4 | Very low | 35 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 77% | 0.771 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -6.6 | 173.6 | -92.5 | -177.2 | -16.3 | 0 | 0 | 114.1 | I1033 | I1033-Q1036 PolarHBondContact O-N 3.31Š|
| 1037 | Y | 34.9 | Very low | 34.8 | Very low | 205 Ų | 205 | 137.9 Ų | 137.9 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -117.2 | 7.6 | 179.5 | -87.4 | -86.9 | 0 | 0 | 0 | 114.2 | ||
| 1038 | L | 30 | Very low | 34.8 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 80% | 0.801 | 72% | 0.715 | S | S | * | * | trans | -131.6 | 39.9 | 174.7 | -85.7 | 165.5 | 0 | 0 | 0 | 111.5 | ||||
| 1039 | G | 28.6 | Very low | 34.6 | Very low | 145 Ų | 145 | 146.6 Ų | 146.6 | 100% | 1.495 | 75% | 0.747 | S | S | * | * | trans | -99.2 | 0 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.1 |
Retrieved 1,039 of 1,039 residues in 1185.6 ms
(Link to these results)