| 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 | 47 | Very low | 79.1 | Confident | 223 Ų | 223 | 90.2 Ų | 90.2 | 100% | 1.099 | 47% | 0.472 | S | S | * | . | 0 | 107.1 | 0 | -172 | 165 | 54 | 0 | 0 | 106 | D3 | M1-D3 PolarHBondContact O-N 3.39Š| |||
| 2 | V | 53.3 | Low | 80.5 | Confident | 98 Ų | 98 | 89.4 Ų | 89.4 | 59% | 0.594 | 47% | 0.467 | S | S | * | . | trans | -62.9 | 119.1 | 176.3 | 169.9 | 0 | 0 | 0 | 0 | 106.5 | N4 A7 | V2-N4 PolarHBondContact O-N 3.3Å; V2-A7 HydrophobicContact CG1-CB 4.32Å | ||
| 3 | D | 67.7 | Low | 81.8 | Confident | 76 Ų | 76 | 82.7 Ų | 82.7 | 41% | 0.406 | 43% | 0.433 | S | S | . | . | trans | -59 | 132.5 | 176 | -68.8 | -46 | 0 | 0 | 0 | 108.7 | M1 R5 Y6 | M1-D3 PolarHBondContact O-N 3.39Å; D3-R5 PolarHBondContact O-N 3.46Å; D3-Y6 HydrophobicContact CB-CD2 3.57Å; D3-Y6 HydrophobicContact CB-CE2 3.65Å; D3-Y6 PolarHBondContact O-N 3.37Å; D3-Y6 WeakPolarHBondContact OD2-CE2 3.43Å | ||
| 4 | N | 79.9 | Confident | 82.8 | Confident | 129 Ų | 129 | 81.9 Ų | 81.9 | 69% | 0.69 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -49 | -28 | -179 | -169.1 | 24.2 | 0 | 0 | 0 | 112.8 | V2 T8 | V2-N4 PolarHBondContact O-N 3.3Å; N4-T8 WeakPolarHBondContact O-CB 3.42Å; N4-T8 PolarHBondContact O-N 3.41Å; N4-T8 PolarHBondContact O-OG1 3.22Å |
| 5 | R | 83.1 | Confident | 83.8 | Confident | 196 Ų | 196 | 81.5 Ų | 81.5 | 74% | 0.74 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63 | -39.7 | 176 | -60.2 | -178.2 | -179.5 | -180 | -0 | 113.4 | D3 A9 W234 | D3-R5 PolarHBondContact O-N 3.46Å; R5-A9 WeakPolarHBondContact O-CB 3.34Å; R5-A9 PolarHBondContact O-N 3.12Å; R5-W234 HydrophobicContact CB-CH2 4.32Å |
| 6 | Y | 82.9 | Confident | 84.7 | Confident | 19 Ų | 19 | 77.9 Ų | 77.9 | 8% | 0.075 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -69.6 | -47.5 | 178 | -63 | -68.7 | 0 | 0 | 0 | 111.6 | D3 T8 A9 L10 A235 S238 H239 N242 | D3-Y6 HydrophobicContact CB-CD2 3.57Å; D3-Y6 HydrophobicContact CB-CE2 3.65Å; D3-Y6 PolarHBondContact O-N 3.37Å; D3-Y6 WeakPolarHBondContact OD2-CE2 3.43Å; Y6-T8 VanDerWaalsContact C-N 3.27Å; Y6-T8 PolarHBondContact O-N 2.95Å; Y6-A9 PolarHBondContact O-N 3.18Å; Y6-L10 WeakPolarHBondContact O-CG 3.31Å; Y6-L10 PolarHBondContact O-N 3.46Å; Y6-A235 HydrophobicContact CD1-CB 4.4Å; Y6-S238 WeakPolarHBondContact CE1-OG 3.42Å; Y6-S238 PolarHBondContact OH-O 3.05Å; Y6-S238 PolarHBondContact OH-OG 3.27Å; Y6-H239 HydrophobicContact CE1-CB 4.33Å; Y6-N242 PolarHBondContact OH-ND2 3.4Å |
| 7 | A | 86.1 | Confident | 85.5 | Confident | 41 Ų | 41 | 74.1 Ų | 74.1 | 34% | 0.339 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V2 L10 V11 | V2-A7 HydrophobicContact CG1-CB 4.32Å; A7-L10 PolarHBondContact O-N 3.06Å; A7-V11 VanDerWaalsContact O-CG2 3.29Å; A7-V11 WeakPolarHBondContact O-CG2 3.46Å; A7-V11 PolarHBondContact O-N 2.95Å |
| 8 | T | 90.8 | Very high | 86.2 | Confident | 65 Ų | 65 | 76 Ų | 76 | 40% | 0.399 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 176.4 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | N4 Y6 L10 V11 I12 | N4-T8 WeakPolarHBondContact O-CB 3.42Å; N4-T8 PolarHBondContact O-N 3.41Å; N4-T8 PolarHBondContact O-OG1 3.22Å; Y6-T8 VanDerWaalsContact C-N 3.27Å; Y6-T8 PolarHBondContact O-N 2.95Å; T8-L10 PolarHBondContact O-N 2.95Å; T8-V11 PolarHBondContact O-N 2.9Å; T8-I12 HydrophobicContact CG2-CD1 3.77Å; T8-I12 HydrophobicContact CG2-CG1 4.39Å; T8-I12 VanDerWaalsContact O-CG1 3.3Å; T8-I12 WeakPolarHBondContact O-CG1 3.42Å; T8-I12 PolarHBondContact O-N 3.3Å |
| 9 | A | 92.4 | Very high | 86.8 | Confident | 6 Ų | 6 | 75.9 Ų | 75.9 | 5% | 0.05 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R5 Y6 A13 L231 W234 | R5-A9 WeakPolarHBondContact O-CB 3.34Å; R5-A9 PolarHBondContact O-N 3.12Å; Y6-A9 PolarHBondContact O-N 3.18Å; A9-A13 VanDerWaalsContact O-CB 3.28Å; A9-A13 WeakPolarHBondContact O-CB 3.07Å; A9-A13 PolarHBondContact O-N 3.24Å; A9-L231 HydrophobicContact CB-CD2 4.49Å; A9-W234 HydrophobicContact CB-CE3 3.95Å; A9-W234 HydrophobicContact CB-CZ3 3.62Å |
| 10 | L | 91.9 | Very high | 87.4 | Confident | 47 Ų | 47 | 72.2 Ų | 72.2 | 25% | 0.246 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 175.6 | -69.8 | 174.4 | 0 | 0 | 0 | 111.6 | Y6 A7 T8 A13 C14 L166 T169 L232 | Y6-L10 WeakPolarHBondContact O-CG 3.31Å; Y6-L10 PolarHBondContact O-N 3.46Å; A7-L10 PolarHBondContact O-N 3.06Å; T8-L10 PolarHBondContact O-N 2.95Å; L10-A13 PolarHBondContact O-N 3.19Å; L10-C14 PolarHBondContact O-N 3.37Å; L10-C14 PolarHBondContact O-SG 2.84Å; L10-L166 HydrophobicContact CD1-CD2 4Å; L10-T169 HydrophobicContact CD2-CG2 4.01Å; L10-L232 HydrophobicContact CD2-CD2 3.77Å |
| 11 | V | 94.4 | Very high | 87.9 | Confident | 92 Ų | 92 | 70.3 Ų | 70.3 | 56% | 0.558 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.9 | -48 | 178.1 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | A7 T8 A13 C14 V15 | A7-V11 VanDerWaalsContact O-CG2 3.29Å; A7-V11 WeakPolarHBondContact O-CG2 3.46Å; A7-V11 PolarHBondContact O-N 2.95Å; T8-V11 PolarHBondContact O-N 2.9Å; V11-A13 VanDerWaalsContact C-N 3.33Å; V11-A13 PolarHBondContact O-N 3.49Å; V11-C14 PolarHBondContact O-N 3.07Å; V11-V15 WeakPolarHBondContact O-CG2 3.42Å; V11-V15 PolarHBondContact O-N 3.22Å |
| 12 | I | 96.6 | Very high | 90.4 | Very high | 81 Ų | 81 | 63.2 Ų | 63.2 | 42% | 0.415 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 177.5 | -64.9 | 168.9 | 0 | 0 | 0 | 110.2 | T8 C14 V15 L16 L231 | T8-I12 HydrophobicContact CG2-CD1 3.77Å; T8-I12 HydrophobicContact CG2-CG1 4.39Å; T8-I12 VanDerWaalsContact O-CG1 3.3Å; T8-I12 WeakPolarHBondContact O-CG1 3.42Å; T8-I12 PolarHBondContact O-N 3.3Å; I12-C14 VanDerWaalsContact C-N 3.31Å; I12-C14 PolarHBondContact O-N 3.33Å; I12-V15 PolarHBondContact O-N 2.89Å; I12-L16 HydrophobicContact CG2-CD1 3.81Å; I12-L16 HydrophobicContact CG2-CG 4.16Å; I12-L16 WeakPolarHBondContact O-CB 3.44Å; I12-L16 VanDerWaalsContact O-CG 3.27Å; I12-L16 WeakPolarHBondContact O-CG 3.4Å; I12-L16 PolarHBondContact O-N 3.32Å; I12-L231 HydrophobicContact CB-CD1 4.03Å; I12-L231 HydrophobicContact CG2-CD1 3.52Å |
| 13 | A | 96.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 62.6 Ų | 62.6 | 2% | 0.017 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.7 | -40.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A9 L10 V11 S17 A228 L231 L232 | A9-A13 VanDerWaalsContact O-CB 3.28Å; A9-A13 WeakPolarHBondContact O-CB 3.07Å; A9-A13 PolarHBondContact O-N 3.24Å; L10-A13 PolarHBondContact O-N 3.19Å; V11-A13 VanDerWaalsContact C-N 3.33Å; V11-A13 PolarHBondContact O-N 3.49Å; A13-S17 VanDerWaalsContact O-CB 3.27Å; A13-S17 WeakPolarHBondContact O-CB 3.36Å; A13-S17 PolarHBondContact O-N 2.97Å; A13-A228 HydrophobicContact CB-CB 4.31Å; A13-A228 WeakPolarHBondContact O-CB 3.29Å; A13-L231 HydrophobicContact CB-CB 4.04Å; A13-L231 HydrophobicContact CB-CD1 4.33Å; A13-L232 HydrophobicContact CB-CD1 4.41Å; A13-L232 HydrophobicContact CB-CD2 4.09Å; A13-L232 HydrophobicContact CB-CG 3.85Å |
| 14 | C | 95.8 | Very high | 94 | Very high | 71 Ų | 71 | 59 Ų | 59 | 48% | 0.48 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 176.3 | -67.6 | 0 | 0 | 0 | 0 | 111.8 | L10 V11 I12 S17 I18 | L10-C14 PolarHBondContact O-N 3.37Å; L10-C14 PolarHBondContact O-SG 2.84Å; V11-C14 PolarHBondContact O-N 3.07Å; I12-C14 VanDerWaalsContact C-N 3.31Å; I12-C14 PolarHBondContact O-N 3.33Å; C14-S17 PolarHBondContact O-N 3.28Å; C14-I18 VanDerWaalsContact O-CG1 3.3Å; C14-I18 WeakPolarHBondContact O-CG1 3.39Å; C14-I18 PolarHBondContact O-N 3.22Å |
| 15 | V | 98.1 | Very high | 94.8 | Very high | 76 Ų | 76 | 55.4 Ų | 55.4 | 46% | 0.461 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 178.2 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | V11 I12 S17 I18 L19 | V11-V15 WeakPolarHBondContact O-CG2 3.42Å; V11-V15 PolarHBondContact O-N 3.22Å; I12-V15 PolarHBondContact O-N 2.89Å; V15-S17 VanDerWaalsContact C-N 3.34Å; V15-S17 PolarHBondContact O-N 3.4Å; V15-I18 PolarHBondContact O-N 2.74Å; V15-L19 HydrophobicContact CG1-CD1 3.98Å; V15-L19 HydrophobicContact CG1-CG 4.49Å; V15-L19 WeakPolarHBondContact O-CB 3.43Å; V15-L19 WeakPolarHBondContact O-CG 3.32Å; V15-L19 PolarHBondContact O-N 3.42Å |
| 16 | L | 98.3 | Very high | 95.5 | Very high | 24 Ų | 24 | 48.9 Ų | 48.9 | 13% | 0.126 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.9 | -43 | 177.2 | -68.2 | 174.7 | 0 | 0 | 0 | 111.7 | I12 L19 A20 L224 M227 A228 L231 | I12-L16 HydrophobicContact CG2-CD1 3.81Å; I12-L16 HydrophobicContact CG2-CG 4.16Å; I12-L16 WeakPolarHBondContact O-CB 3.44Å; I12-L16 VanDerWaalsContact O-CG 3.27Å; I12-L16 WeakPolarHBondContact O-CG 3.4Å; I12-L16 PolarHBondContact O-N 3.32Å; L16-L19 PolarHBondContact O-N 3.48Å; L16-A20 VanDerWaalsContact O-CB 3.25Å; L16-A20 WeakPolarHBondContact O-CB 3.35Å; L16-A20 PolarHBondContact O-N 2.99Å; L16-L224 HydrophobicContact CD2-CD2 3.72Å; L16-M227 HydrophobicContact CD1-CB 3.95Å; L16-M227 HydrophobicContact CD1-CE 4.44Å; L16-A228 HydrophobicContact CB-CB 4.15Å; L16-L231 HydrophobicContact CD1-CD1 3.92Å |
| 17 | S | 98.1 | Very high | 96.2 | Very high | 13 Ų | 13 | 48 Ų | 48 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 177.8 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | A13 C14 V15 A20 T21 H176 | A13-S17 VanDerWaalsContact O-CB 3.27Å; A13-S17 WeakPolarHBondContact O-CB 3.36Å; A13-S17 PolarHBondContact O-N 2.97Å; C14-S17 PolarHBondContact O-N 3.28Å; V15-S17 VanDerWaalsContact C-N 3.34Å; V15-S17 PolarHBondContact O-N 3.4Å; S17-A20 PolarHBondContact O-N 3.37Å; S17-T21 WeakPolarHBondContact O-CB 3.48Å; S17-T21 PolarHBondContact O-N 3Å; S17-T21 PolarHBondContact O-OG1 3.26Å; S17-H176 VanDerWaalsContact CB-NE2 3.34Å; S17-H176 WeakPolarHBondContact CB-NE2 3.34Å; S17-H176 PolarHBondContact OG-CD2 2.94Å; S17-H176 PolarHBondContact OG-NE2 3Å |
| 18 | I | 98.1 | Very high | 96.7 | Very high | 109 Ų | 109 | 46.7 Ų | 46.7 | 56% | 0.559 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.3 | -48.8 | 177.3 | -69.2 | 165.9 | 0 | 0 | 0 | 110.3 | C14 V15 A20 T21 V22 | C14-I18 VanDerWaalsContact O-CG1 3.3Å; C14-I18 WeakPolarHBondContact O-CG1 3.39Å; C14-I18 PolarHBondContact O-N 3.22Å; V15-I18 PolarHBondContact O-N 2.74Å; I18-A20 VanDerWaalsContact C-N 3.35Å; I18-A20 PolarHBondContact O-N 3.45Å; I18-T21 PolarHBondContact O-N 3.37Å; I18-V22 WeakPolarHBondContact O-CG2 3.45Å; I18-V22 PolarHBondContact O-N 3.15Å |
| 19 | L | 98.4 | Very high | 96.9 | Very high | 75 Ų | 75 | 45.8 Ų | 45.8 | 39% | 0.393 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59 | -46.2 | 178 | -73.2 | 172.4 | 0 | 0 | 0 | 111.7 | V15 L16 T21 V22 Y23 L224 | V15-L19 HydrophobicContact CG1-CD1 3.98Å; V15-L19 HydrophobicContact CG1-CG 4.49Å; V15-L19 WeakPolarHBondContact O-CB 3.43Å; V15-L19 WeakPolarHBondContact O-CG 3.32Å; V15-L19 PolarHBondContact O-N 3.42Å; L16-L19 PolarHBondContact O-N 3.48Å; L19-T21 VanDerWaalsContact C-N 3.33Å; L19-T21 PolarHBondContact O-N 3.31Å; L19-V22 PolarHBondContact O-N 3.4Å; L19-Y23 WeakPolarHBondContact O-CB 3.28Å; L19-Y23 PolarHBondContact O-N 3.29Å; L19-L224 HydrophobicContact CB-CD1 4.5Å |
| 20 | A | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L16 S17 I18 V22 Y23 L24 S221 L224 H225 | L16-A20 VanDerWaalsContact O-CB 3.25Å; L16-A20 WeakPolarHBondContact O-CB 3.35Å; L16-A20 PolarHBondContact O-N 2.99Å; S17-A20 PolarHBondContact O-N 3.37Å; I18-A20 VanDerWaalsContact C-N 3.35Å; I18-A20 PolarHBondContact O-N 3.45Å; A20-V22 PolarHBondContact O-N 3.05Å; A20-Y23 PolarHBondContact O-N 3.01Å; A20-L24 WeakPolarHBondContact O-CB 3.47Å; A20-L24 PolarHBondContact O-N 3.47Å; A20-S221 VanDerWaalsContact O-CB 3.3Å; A20-S221 WeakPolarHBondContact O-CB 3.42Å; A20-L224 HydrophobicContact CB-CB 3.64Å; A20-L224 HydrophobicContact CB-CD1 4.35Å; A20-H225 VanDerWaalsContact CB-CE1 3.44Å; A20-H225 WeakPolarHBondContact CB-CE1 3.09Å; A20-H225 WeakPolarHBondContact CB-NE2 3.34Å |
| 21 | T | 98.3 | Very high | 97.2 | Very high | 34 Ų | 34 | 46.7 Ų | 46.7 | 21% | 0.209 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64 | -42.5 | 179.2 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | S17 I18 L19 S25 L147 V150 | S17-T21 WeakPolarHBondContact O-CB 3.48Å; S17-T21 PolarHBondContact O-N 3Å; S17-T21 PolarHBondContact O-OG1 3.26Å; I18-T21 PolarHBondContact O-N 3.37Å; L19-T21 VanDerWaalsContact C-N 3.33Å; L19-T21 PolarHBondContact O-N 3.31Å; T21-S25 VanDerWaalsContact O-CB 3.29Å; T21-S25 WeakPolarHBondContact O-CB 3.29Å; T21-S25 PolarHBondContact O-N 2.97Å; T21-S25 PolarHBondContact O-OG 2.98Å; T21-L147 HydrophobicContact CG2-CD2 4.04Å; T21-V150 WeakPolarHBondContact OG1-CG1 3.32Å |
| 22 | V | 98.4 | Very high | 97.2 | Very high | 74 Ų | 74 | 44.1 Ų | 44.1 | 45% | 0.448 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.1 | -47.8 | 175.8 | 171.2 | 0 | 0 | 0 | 0 | 110.2 | I18 L19 A20 L24 S25 V26 | I18-V22 WeakPolarHBondContact O-CG2 3.45Å; I18-V22 PolarHBondContact O-N 3.15Å; L19-V22 PolarHBondContact O-N 3.4Å; A20-V22 PolarHBondContact O-N 3.05Å; V22-L24 PolarHBondContact O-N 3.37Å; V22-S25 PolarHBondContact O-N 3.23Å; V22-V26 HydrophobicContact CG1-CG2 4.31Å; V22-V26 WeakPolarHBondContact O-CB 3.48Å; V22-V26 VanDerWaalsContact O-CG2 3.3Å; V22-V26 WeakPolarHBondContact O-CG2 3.37Å; V22-V26 PolarHBondContact O-N 2.84Å |
| 23 | Y | 98.5 | Very high | 97.2 | Very high | 84 Ų | 84 | 40.2 Ų | 40.2 | 33% | 0.329 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60 | -44.9 | 179 | -76.3 | 6.8 | 0 | 0 | 0 | 112.1 | L19 A20 A27 L217 I220 L224 | L19-Y23 WeakPolarHBondContact O-CB 3.28Å; L19-Y23 PolarHBondContact O-N 3.29Å; A20-Y23 PolarHBondContact O-N 3.01Å; Y23-A27 VanDerWaalsContact O-CB 3.26Å; Y23-A27 WeakPolarHBondContact O-CB 3.3Å; Y23-A27 PolarHBondContact O-N 2.88Å; Y23-L217 HydrophobicContact CD1-CD2 4.29Å; Y23-L217 HydrophobicContact CD2-CD2 4.16Å; Y23-L217 HydrophobicContact CE1-CD2 4.48Å; Y23-L217 HydrophobicContact CE2-CD2 4.36Å; Y23-L217 HydrophobicContact CG-CD2 4.13Å; Y23-I220 HydrophobicContact CD2-CB 4.44Å; Y23-I220 HydrophobicContact CD2-CG2 3.97Å; Y23-I220 HydrophobicContact CE2-CG2 3.93Å; Y23-L224 HydrophobicContact CD2-CD1 4.06Å; Y23-L224 HydrophobicContact CE2-CD1 4.18Å |
| 24 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.4 | -42.4 | 177.2 | -178.6 | 56.3 | 0 | 0 | 0 | 111.8 | A20 V22 A27 I28 P143 S146 L147 T183 | A20-L24 WeakPolarHBondContact O-CB 3.47Å; A20-L24 PolarHBondContact O-N 3.47Å; V22-L24 PolarHBondContact O-N 3.37Å; L24-A27 PolarHBondContact O-N 3.39Å; L24-I28 HydrophobicContact CD1-CD1 3.89Å; L24-I28 HydrophobicContact CD1-CG1 4.11Å; L24-I28 HydrophobicContact CG-CD1 3.8Å; L24-I28 HydrophobicContact CG-CG1 4.49Å; L24-I28 WeakPolarHBondContact O-CD1 3.47Å; L24-I28 VanDerWaalsContact O-CG1 3.24Å; L24-I28 WeakPolarHBondContact O-CG1 3.37Å; L24-I28 PolarHBondContact O-N 3.45Å; L24-P143 HydrophobicContact CD1-CB 4.22Å; L24-S146 WeakPolarHBondContact CD2-OG 3.36Å; L24-L147 HydrophobicContact CD2-CD2 3.98Å; L24-L147 HydrophobicContact CD2-CG 4.14Å; L24-L147 HydrophobicContact CG-CD2 4.19Å; L24-L147 HydrophobicContact CG-CG 4.44Å; L24-T183 HydrophobicContact CD1-CG2 3.71Å; L24-T183 HydrophobicContact CD2-CG2 4.26Å |
| 25 | S | 97.9 | Very high | 97.2 | Very high | 55 Ų | 55 | 42 Ų | 42 | 39% | 0.385 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64 | -44.5 | 178.8 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | T21 V22 A27 I28 G29 | T21-S25 VanDerWaalsContact O-CB 3.29Å; T21-S25 WeakPolarHBondContact O-CB 3.29Å; T21-S25 PolarHBondContact O-N 2.97Å; T21-S25 PolarHBondContact O-OG 2.98Å; V22-S25 PolarHBondContact O-N 3.23Å; S25-A27 VanDerWaalsContact C-N 3.34Å; S25-I28 PolarHBondContact O-N 3.39Å; S25-G29 PolarHBondContact O-N 2.71Å |
| 26 | V | 97.8 | Very high | 97 | Very high | 59 Ų | 59 | 38.5 Ų | 38.5 | 36% | 0.358 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62 | -45.7 | 174 | 171.9 | 0 | 0 | 0 | 0 | 109.9 | V22 I28 G29 T30 W213 L217 | V22-V26 HydrophobicContact CG1-CG2 4.31Å; V22-V26 WeakPolarHBondContact O-CB 3.48Å; V22-V26 VanDerWaalsContact O-CG2 3.3Å; V22-V26 WeakPolarHBondContact O-CG2 3.37Å; V22-V26 PolarHBondContact O-N 2.84Å; V26-I28 PolarHBondContact O-N 2.98Å; V26-G29 PolarHBondContact O-N 2.92Å; V26-T30 HydrophobicContact CG1-CG2 4.11Å; V26-T30 WeakPolarHBondContact O-CG2 3.27Å; V26-T30 PolarHBondContact O-N 2.85Å; V26-T30 PolarHBondContact O-OG1 2.9Å; V26-W213 HydrophobicContact CG1-CH2 4.15Å; V26-W213 HydrophobicContact CG1-CZ3 3.91Å; V26-L217 HydrophobicContact CB-CD1 4.38Å; V26-L217 HydrophobicContact CG1-CD1 3.83Å |
| 27 | A | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.8 | -50.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y23 L24 S25 G29 T30 W33 S214 L217 A218 | Y23-A27 VanDerWaalsContact O-CB 3.26Å; Y23-A27 WeakPolarHBondContact O-CB 3.3Å; Y23-A27 PolarHBondContact O-N 2.88Å; L24-A27 PolarHBondContact O-N 3.39Å; S25-A27 VanDerWaalsContact C-N 3.34Å; A27-G29 VanDerWaalsContact C-N 3.27Å; A27-G29 PolarHBondContact O-N 3.19Å; A27-T30 PolarHBondContact O-N 3.42Å; A27-T30 PolarHBondContact O-OG1 3.26Å; A27-W33 HydrophobicContact CB-CZ2 4.21Å; A27-W33 PolarHBondContact O-NE1 3.32Å; A27-S214 WeakPolarHBondContact CB-O 3.5Å; A27-L217 HydrophobicContact CB-CB 4.24Å; A27-A218 HydrophobicContact CB-CB 3.83Å |
| 28 | I | 95.9 | Very high | 95.7 | Very high | 14 Ų | 14 | 39.3 Ų | 39.3 | 7% | 0.072 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.8 | -38.3 | 180 | -65.7 | 158.7 | 0 | 0 | 0 | 111.7 | L24 S25 V26 T30 L80 P143 L147 | L24-I28 HydrophobicContact CD1-CD1 3.89Å; L24-I28 HydrophobicContact CD1-CG1 4.11Å; L24-I28 HydrophobicContact CG-CD1 3.8Å; L24-I28 HydrophobicContact CG-CG1 4.49Å; L24-I28 WeakPolarHBondContact O-CD1 3.47Å; L24-I28 VanDerWaalsContact O-CG1 3.24Å; L24-I28 WeakPolarHBondContact O-CG1 3.37Å; L24-I28 PolarHBondContact O-N 3.45Å; S25-I28 PolarHBondContact O-N 3.39Å; V26-I28 PolarHBondContact O-N 2.98Å; I28-T30 PolarHBondContact O-N 3.49Å; I28-L80 HydrophobicContact CB-CD1 4.3Å; I28-L80 HydrophobicContact CG1-CD1 4.04Å; I28-L80 HydrophobicContact CG2-CD1 4.18Å; I28-P143 HydrophobicContact CD1-CB 3.73Å; I28-P143 HydrophobicContact CG1-CB 3.9Å; I28-P143 HydrophobicContact CG1-CG 4.5Å; I28-L147 HydrophobicContact CD1-CD1 3.55Å; I28-L147 HydrophobicContact CD1-CG 4.13Å |
| 29 | G | 94.8 | Very high | 94.1 | Very high | 45 Ų | 45 | 36.5 Ų | 36.5 | 46% | 0.464 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -77.2 | -14.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | S25 V26 A27 | S25-G29 PolarHBondContact O-N 2.71Å; V26-G29 PolarHBondContact O-N 2.92Å; A27-G29 VanDerWaalsContact C-N 3.27Å; A27-G29 PolarHBondContact O-N 3.19Å |
| 30 | T | 95.3 | Very high | 92.2 | Very high | 22 Ų | 22 | 35.1 Ų | 35.1 | 14% | 0.135 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -103.7 | 161.9 | -171.9 | 60.5 | 0 | 0 | 0 | 0 | 113.3 | V26 A27 I28 G79 W213 S214 | V26-T30 HydrophobicContact CG1-CG2 4.11Å; V26-T30 WeakPolarHBondContact O-CG2 3.27Å; V26-T30 PolarHBondContact O-N 2.85Å; V26-T30 PolarHBondContact O-OG1 2.9Å; A27-T30 PolarHBondContact O-N 3.42Å; A27-T30 PolarHBondContact O-OG1 3.26Å; I28-T30 PolarHBondContact O-N 3.49Å; T30-G79 WeakPolarHBondContact O-CA 3.12Å; T30-W213 HydrophobicContact CG2-CH2 3.58Å; T30-W213 HydrophobicContact CG2-CZ2 4.12Å; T30-W213 HydrophobicContact CG2-CZ3 4.43Å; T30-S214 WeakPolarHBondContact OG1-CB 3.28Å; T30-S214 PolarHBondContact OG1-OG 3.21Å |
| 31 | Q | 94.4 | Very high | 90.1 | Very high | 50 Ų | 50 | 37 Ų | 37 | 23% | 0.234 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -90.9 | 13 | 180 | 64.6 | -78.3 | -8.4 | 0 | 0 | 115.1 | T77 V78 G79 W82 L103 | Q31-T77 CarbonylContact O-C 3.17Å; Q31-T77 WeakPolarHBondContact O-CB 3.43Å; Q31-T77 PolarHBondContact O-OG1 3.32Å; Q31-V78 CarbonylContact C-O 3.45Å; Q31-V78 CarbonylContact O-C 3.47Å; Q31-V78 PolarHBondContact O-N 2.98Å; Q31-V78 VanDerWaalsContact O-O 3.14Å; Q31-G79 PolarHBondContact O-N 3.41Å; Q31-W82 HydrophobicContact CB-CB 3.92Å; Q31-L103 HydrophobicContact CG-CD2 4.32Å |
| 32 | H | 95.6 | Very high | 87.9 | Confident | 38 Ų | 38 | 45.7 Ų | 45.7 | 18% | 0.176 | 25% | 0.245 | C | C | . | . | trans | -118 | 45.7 | -166.7 | -63 | -68.5 | 0 | 0 | 0 | 113.5 | G212 W213 S214 | H32-G212 CarbonylContact O-C 3.59Å; H32-G212 WeakPolarHBondContact O-CA 3.32Å; H32-W213 HydrophobicContact CB-CD2 4.43Å; H32-W213 HydrophobicContact CB-CG 4.46Å; H32-W213 HydrophobicContact CB-CZ2 4.29Å; H32-W213 AromaticContact CD2-CE2 3.77Å; H32-W213 AromaticContact CD2-CZ2 3.68Å; H32-W213 AromaticContact CD2-NE1 3.42Å; H32-W213 PolarHBondContact CD2-NE1 3.49Å; H32-W213 AromaticContact CG-CE2 3.99Å; H32-W213 AromaticContact CG-NE1 3.39Å; H32-W213 PolarHBondContact O-N 2.95Å; H32-S214 WeakPolarHBondContact CA-OG 3.44Å; H32-S214 WeakPolarHBondContact CB-OG 3.5Å; H32-S214 PolarHBondContact O-N 3.37Å; H32-S214 PolarHBondContact O-OG 3.31Å | ||
| 33 | W | 97.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -81.2 | -36.7 | 172.3 | -75.3 | 50.5 | 0 | 0 | 0 | 111.4 | A27 V78 L80 T186 Y190 G212 S214 L215 A218 | A27-W33 HydrophobicContact CB-CZ2 4.21Å; A27-W33 PolarHBondContact O-NE1 3.32Å; W33-V78 WeakPolarHBondContact CA-O 3.16Å; W33-V78 VanDerWaalsContact CB-O 3.29Å; W33-V78 WeakPolarHBondContact CB-O 3.4Å; W33-V78 PolarHBondContact N-O 2.94Å; W33-L80 HydrophobicContact CD2-CD2 4.18Å; W33-L80 HydrophobicContact CD2-CG 4.14Å; W33-L80 HydrophobicContact CE3-CD2 4Å; W33-L80 HydrophobicContact CE3-CG 4.41Å; W33-L80 HydrophobicContact CH2-CD1 3.83Å; W33-L80 HydrophobicContact CH2-CD2 4.01Å; W33-L80 HydrophobicContact CH2-CG 4.04Å; W33-L80 HydrophobicContact CZ2-CD1 3.55Å; W33-L80 HydrophobicContact CZ2-CD2 4.15Å; W33-L80 HydrophobicContact CZ2-CG 3.68Å; W33-L80 HydrophobicContact CZ3-CD2 3.92Å; W33-L80 HydrophobicContact CZ3-CG 4.37Å; W33-T186 HydrophobicContact CH2-CG2 3.84Å; W33-T186 HydrophobicContact CZ3-CG2 4.13Å; W33-Y190 HydrophobicContact CB-CE1 4.02Å; W33-Y190 HydrophobicContact CB-CE2 4.02Å; W33-Y190 WeakPolarHBondContact CB-OH 3.28Å; W33-Y190 HydrophobicContact CD2-CD2 4.48Å; W33-Y190 HydrophobicContact CD2-CE2 4.37Å; W33-Y190 HydrophobicContact CE3-CD1 4.01Å; W33-Y190 AromaticContact CE3-CD2 3.53Å; W33-Y190 HydrophobicContact CE3-CD2 3.53Å; W33-Y190 HydrophobicContact CE3-CE1 4.26Å; W33-Y190 AromaticContact CE3-CE2 3.81Å; W33-Y190 HydrophobicContact CE3-CE2 3.81Å; W33-Y190 AromaticContact CE3-CG 3.66Å; W33-Y190 HydrophobicContact CE3-CG 3.66Å; W33-Y190 HydrophobicContact CG-CE2 4.49Å; W33-Y190 HydrophobicContact CZ3-CD2 4.06Å; W33-Y190 HydrophobicContact CZ3-CG 4.05Å; W33-G212 PolarHBondContact O-N 3.14Å; W33-S214 PolarHBondContact N-OG 2.68Å; W33-L215 HydrophobicContact CD2-CD1 3.98Å; W33-L215 HydrophobicContact CE3-CD1 3.27Å; W33-L215 HydrophobicContact CZ3-CD1 3.64Å; W33-A218 HydrophobicContact CH2-CB 4.08Å; W33-A218 HydrophobicContact CZ2-CB 4.21Å |
| 34 | Y | 96.4 | Very high | 83.6 | Confident | 25 Ų | 25 | 48.8 Ų | 48.8 | 10% | 0.098 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 150.5 | 176.4 | -159.6 | -88.7 | 0 | 0 | 0 | 110.4 | Y36 T77 V78 Y190 M194 H198 G209 S210 L211 | Y34-Y36 HydrophobicContact CD1-CD1 4.39Å; Y34-Y36 HydrophobicContact CD1-CD2 4.36Å; Y34-Y36 AromaticContact CD1-CE1 3.96Å; Y34-Y36 HydrophobicContact CD1-CE1 3.96Å; Y34-Y36 AromaticContact CD1-CE2 3.93Å; Y34-Y36 HydrophobicContact CD1-CE2 3.93Å; Y34-Y36 AromaticContact CD1-CZ 3.69Å; Y34-Y36 AromaticContact CE1-CD1 3.91Å; Y34-Y36 HydrophobicContact CE1-CD1 3.91Å; Y34-Y36 AromaticContact CE1-CE1 3.44Å; Y34-Y36 HydrophobicContact CE1-CE1 3.44Å; Y34-Y36 VanDerWaalsContact CE1-CE1 3.44Å; Y34-Y36 HydrophobicContact CE1-CE2 4.28Å; Y34-Y36 HydrophobicContact CE1-CG 4.5Å; Y34-Y36 AromaticContact CE1-CZ 3.63Å; Y34-T77 WeakPolarHBondContact O-CA 3.4Å; Y34-V78 PolarHBondContact N-O 3.24Å; Y34-V78 VanDerWaalsContact N-O 3.09Å; Y34-V78 PolarHBondContact O-N 2.88Å; Y34-Y190 WeakPolarHBondContact CB-OH 3.3Å; Y34-M194 HydrophobicContact CD1-CE 3.97Å; Y34-M194 HydrophobicContact CD2-CE 4.39Å; Y34-M194 HydrophobicContact CE1-CE 4.35Å; Y34-M194 HydrophobicContact CG-CE 4Å; Y34-H198 AromaticContact CE1-CE1 3.93Å; Y34-H198 AromaticContact CZ-CE1 3.62Å; Y34-H198 PolarHBondContact OH-CE1 3.2Å; Y34-G209 VanDerWaalsContact OH-CA 3.24Å; Y34-G209 WeakPolarHBondContact OH-CA 3.44Å; Y34-S210 WeakPolarHBondContact CA-O 3.4Å; Y34-S210 WeakPolarHBondContact CD2-O 3.27Å; Y34-L211 HydrophobicContact CD2-CD2 3.74Å; Y34-L211 HydrophobicContact CE2-CD2 3.79Å |
| 35 | Q | 94.9 | Very high | 81.9 | Confident | 84 Ų | 84 | 50.3 Ų | 50.3 | 39% | 0.393 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 133.3 | 179.7 | 177.4 | 172.4 | -4.1 | 0 | 0 | 110.8 | G76 T77 G209 S210 | Q35-G76 CarbonylContact C-O 3.54Å; Q35-G76 WeakPolarHBondContact CA-O 3.37Å; Q35-T77 HydrophobicContact CB-CG2 4.26Å; Q35-T77 HydrophobicContact CG-CG2 3.97Å; Q35-G209 WeakPolarHBondContact O-CA 3.45Å; Q35-S210 PolarHBondContact N-O 2.67Å; Q35-S210 PolarHBondContact O-N 3.16Å; Q35-S210 PolarHBondContact O-OG 3.44Å |
| 36 | Y | 93.3 | Very high | 80.7 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 138.3 | 170.9 | -61.9 | -75.6 | 0 | 0 | 0 | 110.3 | Y34 L71 F72 N75 G76 V78 M194 H198 L203 V207 D208 | Y34-Y36 HydrophobicContact CD1-CD1 4.39Å; Y34-Y36 HydrophobicContact CD1-CD2 4.36Å; Y34-Y36 AromaticContact CD1-CE1 3.96Å; Y34-Y36 HydrophobicContact CD1-CE1 3.96Å; Y34-Y36 AromaticContact CD1-CE2 3.93Å; Y34-Y36 HydrophobicContact CD1-CE2 3.93Å; Y34-Y36 AromaticContact CD1-CZ 3.69Å; Y34-Y36 AromaticContact CE1-CD1 3.91Å; Y34-Y36 HydrophobicContact CE1-CD1 3.91Å; Y34-Y36 AromaticContact CE1-CE1 3.44Å; Y34-Y36 HydrophobicContact CE1-CE1 3.44Å; Y34-Y36 VanDerWaalsContact CE1-CE1 3.44Å; Y34-Y36 HydrophobicContact CE1-CE2 4.28Å; Y34-Y36 HydrophobicContact CE1-CG 4.5Å; Y34-Y36 AromaticContact CE1-CZ 3.63Å; Y36-L71 HydrophobicContact CD2-CB 4.06Å; Y36-L71 HydrophobicContact CE2-CB 4.3Å; Y36-F72 AromaticContact CD1-CD1 3.85Å; Y36-F72 HydrophobicContact CD1-CD1 3.85Å; Y36-F72 HydrophobicContact CD1-CE1 4.25Å; Y36-F72 HydrophobicContact CD2-CD1 4.16Å; Y36-F72 HydrophobicContact CD2-CE1 4.48Å; Y36-F72 AromaticContact CE1-CD1 3.67Å; Y36-F72 HydrophobicContact CE1-CD1 3.67Å; Y36-F72 AromaticContact CE1-CE1 3.6Å; Y36-F72 HydrophobicContact CE1-CE1 3.6Å; Y36-F72 AromaticContact CE2-CD1 4Å; Y36-F72 HydrophobicContact CE2-CD1 4Å; Y36-F72 AromaticContact CE2-CE1 3.86Å; Y36-F72 HydrophobicContact CE2-CE1 3.86Å; Y36-F72 HydrophobicContact CG-CD1 4.08Å; Y36-F72 AromaticContact CZ-CD1 3.77Å; Y36-F72 AromaticContact CZ-CE1 3.38Å; Y36-F72 WeakPolarHBondContact OH-CE1 3.47Å; Y36-N75 CarbonylContact O-C 3.41Å; Y36-N75 VanDerWaalsContact O-CA 3.31Å; Y36-N75 WeakPolarHBondContact O-CA 3.47Å; Y36-G76 PolarHBondContact N-O 2.72Å; Y36-V78 HydrophobicContact CD2-CG2 4.29Å; Y36-V78 HydrophobicContact CE2-CG2 3.77Å; Y36-M194 WeakPolarHBondContact OH-CE 3.5Å; Y36-H198 AromaticContact CE1-NE2 3.34Å; Y36-H198 VanDerWaalsContact CE1-NE2 3.34Å; Y36-H198 WeakPolarHBondContact CE1-NE2 3.43Å; Y36-H198 AromaticContact CZ-NE2 3.45Å; Y36-H198 PolarHBondContact OH-NE2 2.92Å; Y36-L203 HydrophobicContact CE1-CD2 4.5Å; Y36-V207 HydrophobicContact CD1-CG1 4.21Å; Y36-D208 CarbonylContact C-O 3.58Å; Y36-D208 WeakPolarHBondContact CA-O 3.48Å |
| 37 | S | 88.3 | Confident | 79.6 | Confident | 52 Ų | 52 | 52.3 Ų | 52.3 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 112.6 | 173.4 | 179.2 | 0 | 0 | 0 | 0 | 108.5 | D208 | S37-D208 PolarHBondContact N-O 3.41Å; S37-D208 PolarHBondContact O-N 2.98Å |
| 38 | S | 81 | Confident | 78.8 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | trans | -109 | 133.7 | -177.7 | 71.5 | 0 | 0 | 0 | 0 | 110.7 | T40 F72 R73 N75 | S38-T40 VanDerWaalsContact C-N 3.31Å; S38-F72 WeakPolarHBondContact CB-O 3.36Å; S38-R73 PolarHBondContact OG-O 3.45Å; S38-N75 WeakPolarHBondContact CA-OD1 3.4Å; S38-N75 WeakPolarHBondContact CB-OD1 3.24Å; S38-N75 PolarHBondContact N-OD1 2.71Å; S38-N75 PolarHBondContact O-OD1 2.89Å; S38-N75 VanDerWaalsContact O-OD1 3.13Å; S38-N75 PolarHBondContact OG-N 3.45Å; S38-N75 PolarHBondContact OG-OD1 3.26Å | ||
| 39 | P | 65.8 | Low | 78.1 | Confident | 49 Ų | 49 | 59.2 Ų | 59.2 | 32% | 0.318 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -80.6 | -13 | 177.2 | 25.1 | -25.5 | 0 | 0 | 0 | 112.8 | V41 R42 K206 | P39-V41 VanDerWaalsContact C-N 3.25Å; P39-V41 PolarHBondContact O-N 3.2Å; P39-R42 WeakPolarHBondContact O-CA 3.29Å; P39-R42 WeakPolarHBondContact O-CB 3.4Å; P39-R42 PolarHBondContact O-N 2.97Å; P39-K206 WeakPolarHBondContact CD-O 3.48Å; P39-K206 HydrophobicContact CG-CB 3.47Å; P39-K206 VanDerWaalsContact CG-CB 3.47Å; P39-K206 HydrophobicContact CG-CD 4.08Å; P39-K206 HydrophobicContact CG-CG 4.45Å; P39-K206 WeakPolarHBondContact CG-O 3.39Å |
| 40 | T | 58.7 | Low | 77.5 | Confident | 46 Ų | 46 | 58 Ų | 58 | 28% | 0.282 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -62.7 | -28.8 | -179.8 | 37.8 | 0 | 0 | 0 | 0 | 113.4 | S38 R42 A45 R73 | S38-T40 VanDerWaalsContact C-N 3.31Å; T40-R42 PolarHBondContact O-N 3.1Å; T40-A45 HydrophobicContact CG2-CB 4.07Å; T40-R73 PolarHBondContact OG1-O 3.17Å; T40-R73 VanDerWaalsContact OG1-O 3.11Å |
| 41 | V | 53.1 | Low | 76.9 | Confident | 41 Ų | 41 | 62.6 Ų | 62.6 | 25% | 0.248 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -67.2 | -12.5 | 170.7 | -179.4 | 0 | 0 | 0 | 0 | 112.2 | P39 M101 | P39-V41 VanDerWaalsContact C-N 3.25Å; P39-V41 PolarHBondContact O-N 3.2Å; V41-M101 HydrophobicContact CG1-CE 3.32Å; V41-M101 HydrophobicContact CG1-SD 4.43Å |
| 42 | R | 51.8 | Low | 76.6 | Confident | 216 Ų | 216 | 63.2 Ų | 63.2 | 82% | 0.815 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -103.5 | 1.4 | -176.5 | -67.3 | -177.4 | 174.2 | 158.7 | -0.1 | 116.1 | P39 T40 | P39-R42 WeakPolarHBondContact O-CA 3.29Å; P39-R42 WeakPolarHBondContact O-CB 3.4Å; P39-R42 PolarHBondContact O-N 2.97Å; T40-R42 PolarHBondContact O-N 3.1Å |
| 43 | G | 53.6 | Low | 76.2 | Confident | 58 Ų | 58 | 62.6 Ų | 62.6 | 60% | 0.598 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 155.7 | -5.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||
| 44 | E | 54.6 | Low | 75.8 | Confident | 165 Ų | 165 | 64.7 Ų | 64.7 | 77% | 0.771 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | -14.4 | -171.8 | -71.5 | -178.8 | 164.3 | 0 | 0 | 115.4 | K206 | E44-K206 IonicContact OE2-NZ 3.68Š|
| 45 | A | 62.3 | Low | 75.5 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 26% | 0.256 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -89.5 | 145.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T40 V47 L50 | T40-A45 HydrophobicContact CG2-CB 4.07Å; A45-V47 PolarHBondContact O-N 3.41Å; A45-L50 HydrophobicContact CB-CD1 3.65Å; A45-L50 HydrophobicContact CB-CD2 4.29Å; A45-L50 HydrophobicContact CB-CG 4.05Å |
| 46 | N | 71.5 | Confident | 75.2 | Confident | 96 Ų | 96 | 67.3 Ų | 67.3 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | trans | -68.7 | 117.8 | 176.6 | -172.6 | -8.8 | 0 | 0 | 0 | 109.7 | S48 E49 L50 | N46-S48 PolarHBondContact ND2-OG 3.28Å; N46-S48 PolarHBondContact O-N 3.43Å; N46-S48 VanDerWaalsContact O-N 3.16Å; N46-S48 PolarHBondContact OD1-N 3.43Å; N46-S48 PolarHBondContact OD1-OG 3.11Å; N46-E49 HydrophobicContact CB-CB 4.22Å; N46-E49 WeakPolarHBondContact O-CB 3.4Å; N46-E49 PolarHBondContact O-N 3.43Å; N46-L50 PolarHBondContact O-N 3.47Å; N46-L50 VanDerWaalsContact O-N 3.16Å | ||
| 47 | V | 76.2 | Confident | 75.1 | Confident | 60 Ų | 60 | 67.2 Ų | 67.2 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -54 | -37.5 | -177.8 | 175.5 | 0 | 0 | 0 | 0 | 112.1 | A45 R51 W93 | A45-V47 PolarHBondContact O-N 3.41Å; V47-R51 WeakPolarHBondContact O-CB 3.44Å; V47-R51 PolarHBondContact O-N 3.04Å; V47-W93 HydrophobicContact CG1-CB 3.77Å; V47-W93 HydrophobicContact CG1-CE3 4.09Å; V47-W93 WeakPolarHBondContact CG1-O 3.37Å |
| 48 | S | 79.1 | Confident | 75.2 | Confident | 74 Ų | 74 | 67.7 Ų | 67.7 | 52% | 0.517 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.5 | -38 | 179.5 | 58.1 | 0 | 0 | 0 | 0 | 113 | N46 R51 S52 | N46-S48 PolarHBondContact ND2-OG 3.28Å; N46-S48 PolarHBondContact O-N 3.43Å; N46-S48 VanDerWaalsContact O-N 3.16Å; N46-S48 PolarHBondContact OD1-N 3.43Å; N46-S48 PolarHBondContact OD1-OG 3.11Å; S48-R51 PolarHBondContact O-N 3.05Å; S48-S52 PolarHBondContact O-N 2.94Å; S48-S52 PolarHBondContact O-OG 3.36Å |
| 49 | E | 82.3 | Confident | 75.5 | Confident | 85 Ų | 85 | 73.3 Ų | 73.3 | 40% | 0.397 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -71.2 | -42.2 | 178.3 | -174 | -173.9 | 168 | 0 | 0 | 111.5 | N46 R51 S52 L53 R73 | N46-E49 HydrophobicContact CB-CB 4.22Å; N46-E49 WeakPolarHBondContact O-CB 3.4Å; N46-E49 PolarHBondContact O-N 3.43Å; E49-R51 VanDerWaalsContact C-N 3.26Å; E49-R51 PolarHBondContact O-N 2.97Å; E49-S52 WeakPolarHBondContact CA-OG 3.34Å; E49-S52 PolarHBondContact O-N 3.24Å; E49-S52 PolarHBondContact O-OG 2.93Å; E49-L53 WeakPolarHBondContact O-CG 3.37Å; E49-L53 PolarHBondContact O-N 3.45Å; E49-R73 IonicContact OE1-CZ 3.63Å; E49-R73 IonicContact OE1-NH1 2.69Å; E49-R73 PolarHBondContact OE1-NH1 2.96Å |
| 50 | L | 81.8 | Confident | 76.4 | Confident | 20 Ų | 20 | 72 Ų | 72 | 11% | 0.105 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.2 | -37.4 | 175.3 | -70.7 | 165.6 | 0 | 0 | 0 | 111.4 | A45 N46 Y54 L74 W93 | A45-L50 HydrophobicContact CB-CD1 3.65Å; A45-L50 HydrophobicContact CB-CD2 4.29Å; A45-L50 HydrophobicContact CB-CG 4.05Å; N46-L50 PolarHBondContact O-N 3.47Å; N46-L50 VanDerWaalsContact O-N 3.16Å; L50-Y54 PolarHBondContact O-N 3.26Å; L50-L74 HydrophobicContact CB-CD2 4.25Å; L50-L74 HydrophobicContact CD2-CD2 3.58Å; L50-L74 HydrophobicContact CD2-CG 4.21Å; L50-L74 HydrophobicContact CG-CD2 4.41Å; L50-W93 HydrophobicContact CB-CZ3 3.76Å |
| 51 | R | 83.8 | Confident | 77.7 | Confident | 118 Ų | 118 | 78.4 Ų | 78.4 | 45% | 0.445 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.7 | -44.3 | 176.3 | -175.4 | 173.6 | 177.9 | 157 | 2.1 | 111.8 | V47 S48 E49 L53 Y54 D55 W93 | V47-R51 WeakPolarHBondContact O-CB 3.44Å; V47-R51 PolarHBondContact O-N 3.04Å; S48-R51 PolarHBondContact O-N 3.05Å; E49-R51 VanDerWaalsContact C-N 3.26Å; E49-R51 PolarHBondContact O-N 2.97Å; R51-L53 VanDerWaalsContact C-N 3.31Å; R51-L53 PolarHBondContact O-N 3.47Å; R51-Y54 PolarHBondContact O-N 2.98Å; R51-D55 PolarHBondContact O-N 2.99Å; R51-W93 VanDerWaalsContact CA-CZ3 3.49Å; R51-W93 HydrophobicContact CB-CD2 4.29Å; R51-W93 HydrophobicContact CB-CE3 3.87Å; R51-W93 HydrophobicContact CB-CH2 4.15Å; R51-W93 HydrophobicContact CB-CZ3 3.8Å; R51-W93 VanDerWaalsContact N-CZ3 3.32Å |
| 52 | S | 86.9 | Confident | 79.2 | Confident | 64 Ų | 64 | 78.9 Ų | 78.9 | 45% | 0.448 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 176 | 52.1 | 0 | 0 | 0 | 0 | 112.3 | S48 E49 Y54 D55 E56 | S48-S52 PolarHBondContact O-N 2.94Å; S48-S52 PolarHBondContact O-OG 3.36Å; E49-S52 WeakPolarHBondContact CA-OG 3.34Å; E49-S52 PolarHBondContact O-N 3.24Å; E49-S52 PolarHBondContact O-OG 2.93Å; S52-Y54 PolarHBondContact O-N 3.44Å; S52-D55 PolarHBondContact O-N 3.3Å; S52-E56 WeakPolarHBondContact O-CB 3.24Å; S52-E56 PolarHBondContact O-N 3.13Å |
| 53 | L | 87.6 | Confident | 80.9 | Confident | 24 Ų | 24 | 70.3 Ų | 70.3 | 13% | 0.126 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62 | -42.9 | 175.3 | -76 | 166.6 | 0 | 0 | 0 | 111.8 | E49 R51 F57 | E49-L53 WeakPolarHBondContact O-CG 3.37Å; E49-L53 PolarHBondContact O-N 3.45Å; R51-L53 VanDerWaalsContact C-N 3.31Å; R51-L53 PolarHBondContact O-N 3.47Å; L53-F57 VanDerWaalsContact O-CB 3.29Å; L53-F57 WeakPolarHBondContact O-CB 3.49Å; L53-F57 PolarHBondContact O-N 2.94Å |
| 54 | Y | 88.6 | Confident | 82.6 | Confident | 44 Ų | 44 | 68 Ų | 68 | 17% | 0.173 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 175.5 | 167.9 | -98.8 | 0 | 0 | 0 | 112.3 | L50 R51 S52 E56 F57 M58 V85 V87 W93 E104 | L50-Y54 PolarHBondContact O-N 3.26Å; R51-Y54 PolarHBondContact O-N 2.98Å; S52-Y54 PolarHBondContact O-N 3.44Å; Y54-E56 VanDerWaalsContact C-N 3.32Å; Y54-E56 PolarHBondContact O-N 3.2Å; Y54-F57 WeakPolarHBondContact O-CB 3.47Å; Y54-F57 PolarHBondContact O-N 3.37Å; Y54-M58 HydrophobicContact CD2-CG 4.06Å; Y54-M58 HydrophobicContact CE1-CG 4.2Å; Y54-M58 HydrophobicContact CE2-CG 3.53Å; Y54-M58 HydrophobicContact CE2-SD 4.24Å; Y54-M58 WeakPolarHBondContact O-CG 3.27Å; Y54-M58 PolarHBondContact O-N 2.92Å; Y54-V85 HydrophobicContact CD2-CG2 4.16Å; Y54-V87 HydrophobicContact CD2-CG1 3.73Å; Y54-V87 HydrophobicContact CD2-CG2 4.31Å; Y54-V87 HydrophobicContact CE2-CG1 4.24Å; Y54-V87 HydrophobicContact CE2-CG2 3.98Å; Y54-V87 HydrophobicContact CG-CG1 4.32Å; Y54-W93 HydrophobicContact CD1-CZ2 4.12Å; Y54-W93 HydrophobicContact CG-CH2 4.29Å; Y54-W93 HydrophobicContact CG-CZ2 4.17Å; Y54-E104 HydrophobicContact CE2-CB 4.06Å; Y54-E104 HydrophobicContact CE2-CG 4.24Å |
| 55 | D | 89.6 | Confident | 84.4 | Confident | 68 Ų | 68 | 65.3 Ų | 65.3 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | -179.2 | -72 | -24.5 | 0 | 0 | 0 | 110.6 | R51 S52 M58 T59 | R51-D55 PolarHBondContact O-N 2.99Å; S52-D55 PolarHBondContact O-N 3.3Å; D55-M58 PolarHBondContact O-N 3.43Å; D55-T59 WeakPolarHBondContact O-CB 3.47Å; D55-T59 PolarHBondContact O-N 2.92Å; D55-T59 PolarHBondContact O-OG1 3.44Å |
| 56 | E | 90.2 | Very high | 85.7 | Confident | 96 Ų | 96 | 65.1 Ų | 65.1 | 45% | 0.449 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65 | -41 | 174.5 | -166.2 | 179.1 | -172.1 | 0 | 0 | 111.9 | S52 Y54 M58 G60 T66 | S52-E56 WeakPolarHBondContact O-CB 3.24Å; S52-E56 PolarHBondContact O-N 3.13Å; Y54-E56 VanDerWaalsContact C-N 3.32Å; Y54-E56 PolarHBondContact O-N 3.2Å; E56-M58 VanDerWaalsContact C-N 3.34Å; E56-M58 PolarHBondContact O-N 3.37Å; E56-G60 WeakPolarHBondContact O-CA 3.38Å; E56-G60 PolarHBondContact O-N 2.73Å; E56-T66 HydrophobicContact CB-CG2 4.42Å; E56-T66 HydrophobicContact CG-CG2 3.62Å |
| 57 | F | 90.9 | Very high | 86.6 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.009 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.4 | -38.8 | 174.7 | 170.2 | -100.6 | 0 | 0 | 0 | 113 | L53 Y54 T70 R83 V85 R106 | L53-F57 VanDerWaalsContact O-CB 3.29Å; L53-F57 WeakPolarHBondContact O-CB 3.49Å; L53-F57 PolarHBondContact O-N 2.94Å; Y54-F57 WeakPolarHBondContact O-CB 3.47Å; Y54-F57 PolarHBondContact O-N 3.37Å; F57-T70 HydrophobicContact CB-CG2 3.67Å; F57-T70 HydrophobicContact CD2-CG2 4.27Å; F57-T70 HydrophobicContact CG-CG2 3.93Å; F57-R83 HydrophobicContact CE2-CB 4.02Å; F57-R83 HydrophobicContact CZ-CB 3.93Å; F57-V85 HydrophobicContact CD1-CG2 4.14Å; F57-V85 HydrophobicContact CE1-CG1 4.49Å; F57-V85 HydrophobicContact CE1-CG2 4.03Å; F57-R106 HydrophobicContact CE1-CB 4.02Å; F57-R106 HydrophobicContact CZ-CB 3.81Å; F57-R106 WeakPolarHBondContact O-CD 3.35Å; F57-R106 PolarHBondContact O-NH1 3.49Å |
| 58 | M | 90.1 | Very high | 87.3 | Confident | 61 Ų | 61 | 58.3 Ų | 58.3 | 30% | 0.3 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -81.9 | -37.3 | -177.8 | -70.9 | -58.9 | -69.2 | 0 | 0 | 113.4 | Y54 D55 E56 | Y54-M58 HydrophobicContact CD2-CG 4.06Å; Y54-M58 HydrophobicContact CE1-CG 4.2Å; Y54-M58 HydrophobicContact CE2-CG 3.53Å; Y54-M58 HydrophobicContact CE2-SD 4.24Å; Y54-M58 WeakPolarHBondContact O-CG 3.27Å; Y54-M58 PolarHBondContact O-N 2.92Å; D55-M58 PolarHBondContact O-N 3.43Å; E56-M58 VanDerWaalsContact C-N 3.34Å; E56-M58 PolarHBondContact O-N 3.37Å |
| 59 | T | 87.8 | Confident | 87.8 | Confident | 121 Ų | 121 | 57.1 Ų | 57.1 | 74% | 0.742 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -115.7 | -16.7 | -170 | 65.6 | 0 | 0 | 0 | 0 | 114.4 | D55 | D55-T59 WeakPolarHBondContact O-CB 3.47Å; D55-T59 PolarHBondContact O-N 2.92Å; D55-T59 PolarHBondContact O-OG1 3.44Å |
| 60 | G | 84.6 | Confident | 88.2 | Confident | 21 Ų | 21 | 53.1 Ų | 53.1 | 22% | 0.216 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -74.5 | 168.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E56 R106 | E56-G60 WeakPolarHBondContact O-CA 3.38Å; E56-G60 PolarHBondContact O-N 2.73Å; G60-R106 PolarHBondContact O-NH1 2.81Å; G60-R106 PolarHBondContact O-NH2 3.01Å; G60-R106 VanDerWaalsContact O-NH2 3.12Å |
| 61 | E | 85.5 | Confident | 88.7 | Confident | 181 Ų | 181 | 52.3 Ų | 52.3 | 85% | 0.846 | 27% | 0.265 | S | S | * | . | trans | -62.1 | 157.8 | 175.2 | -66.5 | -168.5 | 169.1 | 0 | 0 | 111.7 | D63 | E61-D63 PolarHBondContact O-N 2.92Å; E61-D63 VanDerWaalsContact O-N 3.07Å | ||
| 62 | F | 83.8 | Confident | 89 | Confident | 51 Ų | 51 | 46.8 Ų | 46.8 | 22% | 0.224 | 24% | 0.244 | C | C | . | . | trans | -72.7 | 104.1 | 179.7 | -174.9 | -93.7 | 0 | 0 | 0 | 110.7 | Y67 F108 E112 T115 | F62-Y67 HydrophobicContact CE1-CE1 4.3Å; F62-Y67 HydrophobicContact CE2-CD1 4.34Å; F62-Y67 HydrophobicContact CE2-CE1 4.03Å; F62-Y67 AromaticContact CZ-CE1 3.77Å; F62-Y67 HydrophobicContact CZ-CE1 3.77Å; F62-F108 HydrophobicContact CD2-CE1 4.36Å; F62-F108 AromaticContact CE2-CD1 3.44Å; F62-F108 HydrophobicContact CE2-CD1 3.44Å; F62-F108 VanDerWaalsContact CE2-CD1 3.44Å; F62-F108 AromaticContact CE2-CE1 3.25Å; F62-F108 HydrophobicContact CE2-CE1 3.25Å; F62-F108 HydrophobicContact CE2-CG 4.3Å; F62-F108 AromaticContact CE2-CZ 3.94Å; F62-F108 HydrophobicContact CE2-CZ 3.94Å; F62-F108 AromaticContact CZ-CD1 3.93Å; F62-F108 HydrophobicContact CZ-CD1 3.93Å; F62-F108 AromaticContact CZ-CE1 3.76Å; F62-F108 HydrophobicContact CZ-CE1 3.76Å; F62-E112 HydrophobicContact CB-CG 4.29Å; F62-E112 HydrophobicContact CD1-CB 4.44Å; F62-E112 HydrophobicContact CD1-CG 4.33Å; F62-E112 HydrophobicContact CD2-CB 3.89Å; F62-E112 HydrophobicContact CD2-CG 3.71Å; F62-E112 HydrophobicContact CE1-CB 4.27Å; F62-E112 HydrophobicContact CE2-CB 3.67Å; F62-E112 HydrophobicContact CE2-CG 4.05Å; F62-E112 HydrophobicContact CG-CB 4.25Å; F62-E112 HydrophobicContact CG-CG 3.84Å; F62-E112 HydrophobicContact CZ-CB 3.88Å; F62-E112 WeakPolarHBondContact CZ-O 3.48Å; F62-T115 HydrophobicContact CD1-CG2 4.08Å; F62-T115 HydrophobicContact CE1-CG2 3.9Å; F62-T115 WeakPolarHBondContact CE1-OG1 3.45Å | ||
| 63 | D | 88.6 | Confident | 89 | Confident | 36 Ų | 36 | 48 Ų | 48 | 19% | 0.193 | 24% | 0.239 | C | C | . | . | trans | -135.6 | 130.4 | 178.2 | 175.5 | 61.7 | 0 | 0 | 0 | 112.1 | E61 K65 T66 Y67 G122 | E61-D63 PolarHBondContact O-N 2.92Å; E61-D63 VanDerWaalsContact O-N 3.07Å; D63-K65 VanDerWaalsContact C-N 3.33Å; D63-K65 PolarHBondContact O-N 2.95Å; D63-K65 WeakPolarHBondContact OD2-CB 3.46Å; D63-K65 PolarHBondContact OD2-N 2.96Å; D63-T66 PolarHBondContact O-N 3.01Å; D63-T66 WeakPolarHBondContact OD2-CB 3.3Å; D63-T66 PolarHBondContact OD2-N 3.29Å; D63-T66 PolarHBondContact OD2-OG1 2.94Å; D63-Y67 WeakPolarHBondContact O-CD1 3.49Å; D63-Y67 PolarHBondContact O-N 3.26Å; D63-Y67 VanDerWaalsContact O-N 3.15Å; D63-G122 WeakPolarHBondContact OD1-CA 3.38Å | ||
| 64 | E | 89.8 | Confident | 89 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.9 | -39.8 | -175.3 | 175.7 | 175.6 | -149.5 | 0 | 0 | 113.4 | Y67 S68 P121 R132 | E64-Y67 VanDerWaalsContact CA-CZ 3.5Å; E64-Y67 HydrophobicContact CB-CE1 4.12Å; E64-Y67 HydrophobicContact CG-CE2 4.38Å; E64-Y67 WeakPolarHBondContact CG-OH 3.25Å; E64-S68 WeakPolarHBondContact O-CB 3.3Å; E64-S68 PolarHBondContact O-N 3.49Å; E64-S68 VanDerWaalsContact O-N 3.16Å; E64-S68 PolarHBondContact O-OG 3.48Å; E64-P121 HydrophobicContact CG-CB 4.18Å; E64-R132 VanDerWaalsContact CD-NH2 3.29Å; E64-R132 IonicContact OE1-CZ 3.61Å; E64-R132 IonicContact OE1-NE 3.49Å; E64-R132 PolarHBondContact OE1-NE 3.43Å; E64-R132 IonicContact OE1-NH2 3.7Å; E64-R132 PolarHBondContact OE1-NH2 2.87Å; E64-R132 IonicContact OE2-CZ 3.99Å; E64-R132 IonicContact OE2-NE 3.02Å; E64-R132 IonicContact OE2-NH2 2.95Å; E64-R132 PolarHBondContact OE2-NH2 3.46Å |
| 65 | K | 90.6 | Very high | 89 | Confident | 109 Ų | 109 | 46.4 Ų | 46.4 | 47% | 0.474 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.9 | -50.1 | -179.5 | -178.3 | 177.1 | -178.1 | 175.3 | 0 | 110 | D63 Y67 S68 D69 P121 | D63-K65 VanDerWaalsContact C-N 3.33Å; D63-K65 PolarHBondContact O-N 2.95Å; D63-K65 WeakPolarHBondContact OD2-CB 3.46Å; D63-K65 PolarHBondContact OD2-N 2.96Å; K65-Y67 PolarHBondContact O-N 3.46Å; K65-S68 PolarHBondContact O-N 3.49Å; K65-S68 VanDerWaalsContact O-N 3.15Å; K65-D69 WeakPolarHBondContact O-CB 3.46Å; K65-D69 PolarHBondContact O-N 3.39Å; K65-P121 HydrophobicContact CB-CB 4.1Å |
| 66 | T | 89.6 | Confident | 89.1 | Confident | 26 Ų | 26 | 43.1 Ų | 43.1 | 16% | 0.16 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.1 | -51.4 | -177.4 | -55.9 | 0 | 0 | 0 | 0 | 112.2 | E56 D63 S68 T70 | E56-T66 HydrophobicContact CB-CG2 4.42Å; E56-T66 HydrophobicContact CG-CG2 3.62Å; D63-T66 PolarHBondContact O-N 3.01Å; D63-T66 WeakPolarHBondContact OD2-CB 3.3Å; D63-T66 PolarHBondContact OD2-N 3.29Å; D63-T66 PolarHBondContact OD2-OG1 2.94Å; T66-S68 PolarHBondContact O-N 2.96Å; T66-T70 WeakPolarHBondContact O-CB 3.38Å; T66-T70 PolarHBondContact O-N 3.21Å; T66-T70 PolarHBondContact O-OG1 3.35Å |
| 67 | Y | 90.3 | Very high | 89.4 | Confident | 11 Ų | 11 | 38.9 Ų | 38.9 | 4% | 0.043 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.5 | -33.2 | 179.1 | 70.8 | -118.5 | 0 | 0 | 0 | 112.7 | F62 D63 E64 K65 L71 F108 K117 | F62-Y67 HydrophobicContact CE1-CE1 4.3Å; F62-Y67 HydrophobicContact CE2-CD1 4.34Å; F62-Y67 HydrophobicContact CE2-CE1 4.03Å; F62-Y67 AromaticContact CZ-CE1 3.77Å; F62-Y67 HydrophobicContact CZ-CE1 3.77Å; D63-Y67 WeakPolarHBondContact O-CD1 3.49Å; D63-Y67 PolarHBondContact O-N 3.26Å; D63-Y67 VanDerWaalsContact O-N 3.15Å; E64-Y67 VanDerWaalsContact CA-CZ 3.5Å; E64-Y67 HydrophobicContact CB-CE1 4.12Å; E64-Y67 HydrophobicContact CG-CE2 4.38Å; E64-Y67 WeakPolarHBondContact CG-OH 3.25Å; K65-Y67 PolarHBondContact O-N 3.46Å; Y67-L71 HydrophobicContact CD2-CD1 4.16Å; Y67-L71 WeakPolarHBondContact O-CD1 3.49Å; Y67-L71 WeakPolarHBondContact O-CG 3.4Å; Y67-L71 PolarHBondContact O-N 3.23Å; Y67-L71 VanDerWaalsContact O-N 3.07Å; Y67-F108 HydrophobicContact CD1-CE1 4.19Å; Y67-F108 HydrophobicContact CD1-CZ 4.05Å; Y67-F108 AromaticContact CE1-CE1 3.97Å; Y67-F108 HydrophobicContact CE1-CE1 3.97Å; Y67-F108 HydrophobicContact CE1-CZ 4.31Å; Y67-F108 HydrophobicContact CG-CZ 4.25Å; Y67-K117 PolarHBondContact OH-NZ 2.93Å |
| 68 | S | 91.3 | Very high | 89.5 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.6 | -46.6 | -178.8 | -59.7 | 0 | 0 | 0 | 0 | 110.8 | E64 K65 T66 T70 L71 F72 | E64-S68 WeakPolarHBondContact O-CB 3.3Å; E64-S68 PolarHBondContact O-N 3.49Å; E64-S68 VanDerWaalsContact O-N 3.16Å; E64-S68 PolarHBondContact O-OG 3.48Å; K65-S68 PolarHBondContact O-N 3.49Å; K65-S68 VanDerWaalsContact O-N 3.15Å; T66-S68 PolarHBondContact O-N 2.96Å; S68-T70 VanDerWaalsContact C-N 3.25Å; S68-T70 PolarHBondContact O-N 2.93Å; S68-L71 WeakPolarHBondContact O-CB 3.41Å; S68-L71 PolarHBondContact O-N 2.92Å; S68-L71 VanDerWaalsContact O-N 3.12Å; S68-F72 VanDerWaalsContact O-CD1 3.32Å; S68-F72 WeakPolarHBondContact O-CD1 3.28Å; S68-F72 WeakPolarHBondContact O-CD2 3.4Å; S68-F72 WeakPolarHBondContact O-CG 3.2Å; S68-F72 PolarHBondContact O-N 3.05Å |
| 69 | D | 89.8 | Confident | 89.7 | Confident | 50 Ų | 50 | 36.1 Ų | 36.1 | 27% | 0.267 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.3 | -40.1 | 177.2 | -73.4 | -8.1 | 0 | 0 | 0 | 111.2 | K65 F72 R73 | K65-D69 WeakPolarHBondContact O-CB 3.46Å; K65-D69 PolarHBondContact O-N 3.39Å; D69-F72 PolarHBondContact O-N 2.81Å; D69-R73 WeakPolarHBondContact O-CB 3.27Å; D69-R73 WeakPolarHBondContact O-CG 3.42Å; D69-R73 PolarHBondContact O-N 3.38Å; D69-R73 VanDerWaalsContact O-N 3.14Å |
| 70 | T | 90.6 | Very high | 90 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63 | -46.4 | 175.7 | -54 | 0 | 0 | 0 | 0 | 111.4 | F57 T66 S68 F72 R73 L74 V85 | F57-T70 HydrophobicContact CB-CG2 3.67Å; F57-T70 HydrophobicContact CD2-CG2 4.27Å; F57-T70 HydrophobicContact CG-CG2 3.93Å; T66-T70 WeakPolarHBondContact O-CB 3.38Å; T66-T70 PolarHBondContact O-N 3.21Å; T66-T70 PolarHBondContact O-OG1 3.35Å; S68-T70 VanDerWaalsContact C-N 3.25Å; S68-T70 PolarHBondContact O-N 2.93Å; T70-F72 VanDerWaalsContact C-N 3.29Å; T70-F72 PolarHBondContact O-N 3.1Å; T70-R73 PolarHBondContact O-N 3.22Å; T70-L74 HydrophobicContact CG2-CD1 3.77Å; T70-L74 WeakPolarHBondContact O-CB 3.43Å; T70-L74 PolarHBondContact O-N 3Å; T70-V85 HydrophobicContact CG2-CG1 4.07Å |
| 71 | L | 92.2 | Very high | 90.3 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.2 | -38.4 | 178.3 | -70.4 | 160.8 | 0 | 0 | 0 | 112.2 | Y36 Y67 S68 R73 G76 V78 R83 C84 V85 | Y36-L71 HydrophobicContact CD2-CB 4.06Å; Y36-L71 HydrophobicContact CE2-CB 4.3Å; Y67-L71 HydrophobicContact CD2-CD1 4.16Å; Y67-L71 WeakPolarHBondContact O-CD1 3.49Å; Y67-L71 WeakPolarHBondContact O-CG 3.4Å; Y67-L71 PolarHBondContact O-N 3.23Å; Y67-L71 VanDerWaalsContact O-N 3.07Å; S68-L71 WeakPolarHBondContact O-CB 3.41Å; S68-L71 PolarHBondContact O-N 2.92Å; S68-L71 VanDerWaalsContact O-N 3.12Å; L71-R73 VanDerWaalsContact C-N 3.31Å; L71-R73 PolarHBondContact O-N 2.99Å; L71-G76 WeakPolarHBondContact O-CA 3.39Å; L71-G76 PolarHBondContact O-N 2.68Å; L71-V78 HydrophobicContact CD1-CG2 4.19Å; L71-V78 HydrophobicContact CD2-CG2 4.46Å; L71-R83 HydrophobicContact CD1-CB 4.37Å; L71-R83 HydrophobicContact CD1-CG 4.26Å; L71-R83 HydrophobicContact CD2-CB 4.26Å; L71-C84 VanDerWaalsContact CD2-O 3.3Å; L71-C84 WeakPolarHBondContact CD2-O 3.26Å; L71-V85 HydrophobicContact CD2-CG1 3.99Å |
| 72 | F | 90.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.3 | -30 | 178.8 | -55.8 | -20.9 | 0 | 0 | 0 | 112.4 | Y36 S38 S68 D69 T70 P204 V207 | Y36-F72 AromaticContact CD1-CD1 3.85Å; Y36-F72 HydrophobicContact CD1-CD1 3.85Å; Y36-F72 HydrophobicContact CD1-CE1 4.25Å; Y36-F72 HydrophobicContact CD2-CD1 4.16Å; Y36-F72 HydrophobicContact CD2-CE1 4.48Å; Y36-F72 AromaticContact CE1-CD1 3.67Å; Y36-F72 HydrophobicContact CE1-CD1 3.67Å; Y36-F72 AromaticContact CE1-CE1 3.6Å; Y36-F72 HydrophobicContact CE1-CE1 3.6Å; Y36-F72 AromaticContact CE2-CD1 4Å; Y36-F72 HydrophobicContact CE2-CD1 4Å; Y36-F72 AromaticContact CE2-CE1 3.86Å; Y36-F72 HydrophobicContact CE2-CE1 3.86Å; Y36-F72 HydrophobicContact CG-CD1 4.08Å; Y36-F72 AromaticContact CZ-CD1 3.77Å; Y36-F72 AromaticContact CZ-CE1 3.38Å; Y36-F72 WeakPolarHBondContact OH-CE1 3.47Å; S38-F72 WeakPolarHBondContact CB-O 3.36Å; S68-F72 VanDerWaalsContact O-CD1 3.32Å; S68-F72 WeakPolarHBondContact O-CD1 3.28Å; S68-F72 WeakPolarHBondContact O-CD2 3.4Å; S68-F72 WeakPolarHBondContact O-CG 3.2Å; S68-F72 PolarHBondContact O-N 3.05Å; D69-F72 PolarHBondContact O-N 2.81Å; T70-F72 VanDerWaalsContact C-N 3.29Å; T70-F72 PolarHBondContact O-N 3.1Å; F72-P204 HydrophobicContact CB-CG 4.34Å; F72-V207 HydrophobicContact CB-CG1 4.45Å; F72-V207 WeakPolarHBondContact O-CG2 3.44Å |
| 73 | R | 87.3 | Confident | 91.1 | Very high | 91 Ų | 91 | 26 Ų | 26 | 34% | 0.343 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -96.7 | -20.8 | -174.4 | -69.6 | 176.8 | 171.6 | -137.3 | 5 | 114.9 | S38 T40 E49 D69 T70 L71 | S38-R73 PolarHBondContact OG-O 3.45Å; T40-R73 PolarHBondContact OG1-O 3.17Å; T40-R73 VanDerWaalsContact OG1-O 3.11Å; E49-R73 IonicContact OE1-CZ 3.63Å; E49-R73 IonicContact OE1-NH1 2.69Å; E49-R73 PolarHBondContact OE1-NH1 2.96Å; D69-R73 WeakPolarHBondContact O-CB 3.27Å; D69-R73 WeakPolarHBondContact O-CG 3.42Å; D69-R73 PolarHBondContact O-N 3.38Å; D69-R73 VanDerWaalsContact O-N 3.14Å; T70-R73 PolarHBondContact O-N 3.22Å; L71-R73 VanDerWaalsContact C-N 3.31Å; L71-R73 PolarHBondContact O-N 2.99Å |
| 74 | L | 87.1 | Confident | 91.4 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 39.3 | -174.2 | -69.4 | 175.9 | 0 | 0 | 0 | 113.7 | L50 T70 G76 V85 L86 V87 | L50-L74 HydrophobicContact CB-CD2 4.25Å; L50-L74 HydrophobicContact CD2-CD2 3.58Å; L50-L74 HydrophobicContact CD2-CG 4.21Å; L50-L74 HydrophobicContact CG-CD2 4.41Å; T70-L74 HydrophobicContact CG2-CD1 3.77Å; T70-L74 WeakPolarHBondContact O-CB 3.43Å; T70-L74 PolarHBondContact O-N 3Å; L74-G76 PolarHBondContact O-N 3.06Å; L74-V85 HydrophobicContact CB-CB 3.96Å; L74-V85 HydrophobicContact CB-CG1 4.13Å; L74-L86 PolarHBondContact O-N 2.68Å; L74-V87 HydrophobicContact CD1-CG1 4.12Å; L74-V87 HydrophobicContact CD2-CG1 4.44Å |
| 75 | N | 88.6 | Confident | 91.5 | Very high | 29 Ų | 29 | 23.8 Ų | 23.8 | 16% | 0.155 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 59.1 | 179.4 | -70 | -10.6 | 0 | 0 | 0 | 113.1 | Y36 S38 L86 | Y36-N75 CarbonylContact O-C 3.41Å; Y36-N75 VanDerWaalsContact O-CA 3.31Å; Y36-N75 WeakPolarHBondContact O-CA 3.47Å; S38-N75 WeakPolarHBondContact CA-OD1 3.4Å; S38-N75 WeakPolarHBondContact CB-OD1 3.24Å; S38-N75 PolarHBondContact N-OD1 2.71Å; S38-N75 PolarHBondContact O-OD1 2.89Å; S38-N75 VanDerWaalsContact O-OD1 3.13Å; S38-N75 PolarHBondContact OG-N 3.45Å; S38-N75 PolarHBondContact OG-OD1 3.26Å; N75-L86 HydrophobicContact CB-CB 3.96Å |
| 76 | G | 92.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -72.8 | 144.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q35 Y36 L71 L74 C84 | Q35-G76 CarbonylContact C-O 3.54Å; Q35-G76 WeakPolarHBondContact CA-O 3.37Å; Y36-G76 PolarHBondContact N-O 2.72Å; L71-G76 WeakPolarHBondContact O-CA 3.39Å; L71-G76 PolarHBondContact O-N 2.68Å; L74-G76 PolarHBondContact O-N 3.06Å; G76-C84 CarbonylContact C-O 3.59Å; G76-C84 WeakPolarHBondContact CA-O 3.2Å | ||
| 77 | T | 95.1 | Very high | 91.2 | Very high | 7 Ų | 7 | 19.9 Ų | 19.9 | 4% | 0.043 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 142.9 | 164.9 | 64.9 | 0 | 0 | 0 | 0 | 110.9 | Q31 Y34 Q35 C84 | Q31-T77 CarbonylContact O-C 3.17Å; Q31-T77 WeakPolarHBondContact O-CB 3.43Å; Q31-T77 PolarHBondContact O-OG1 3.32Å; Y34-T77 WeakPolarHBondContact O-CA 3.4Å; Q35-T77 HydrophobicContact CB-CG2 4.26Å; Q35-T77 HydrophobicContact CG-CG2 3.97Å; T77-C84 PolarHBondContact N-O 3.48Å; T77-C84 PolarHBondContact O-N 3.32Å; T77-C84 WeakPolarHBondContact OG1-CB 2.99Å |
| 78 | V | 94.9 | Very high | 90.6 | Very high | 4 Ų | 4 | 20.4 Ų | 20.4 | 2% | 0.024 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 120.4 | -169.9 | -180 | 0 | 0 | 0 | 0 | 108 | Q31 W33 Y34 Y36 L71 Y190 | Q31-V78 CarbonylContact C-O 3.45Å; Q31-V78 CarbonylContact O-C 3.47Å; Q31-V78 PolarHBondContact O-N 2.98Å; Q31-V78 VanDerWaalsContact O-O 3.14Å; W33-V78 WeakPolarHBondContact CA-O 3.16Å; W33-V78 VanDerWaalsContact CB-O 3.29Å; W33-V78 WeakPolarHBondContact CB-O 3.4Å; W33-V78 PolarHBondContact N-O 2.94Å; Y34-V78 PolarHBondContact N-O 3.24Å; Y34-V78 VanDerWaalsContact N-O 3.09Å; Y34-V78 PolarHBondContact O-N 2.88Å; Y36-V78 HydrophobicContact CD2-CG2 4.29Å; Y36-V78 HydrophobicContact CE2-CG2 3.77Å; L71-V78 HydrophobicContact CD1-CG2 4.19Å; L71-V78 HydrophobicContact CD2-CG2 4.46Å; V78-Y190 VanDerWaalsContact CG1-OH 3.24Å; V78-Y190 WeakPolarHBondContact CG1-OH 3.42Å |
| 79 | G | 94.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -102.4 | -158.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T30 Q31 W82 R83 | T30-G79 WeakPolarHBondContact O-CA 3.12Å; Q31-G79 PolarHBondContact O-N 3.41Å; G79-W82 PolarHBondContact N-O 2.97Å; G79-R83 PolarHBondContact O-NH1 3.34Å | ||
| 80 | L | 92.6 | Very high | 88.4 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.016 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -80.3 | -48 | 163.6 | -69.3 | -178.3 | 0 | 0 | 0 | 111 | I28 W33 Q113 P143 Y190 | I28-L80 HydrophobicContact CB-CD1 4.3Å; I28-L80 HydrophobicContact CG1-CD1 4.04Å; I28-L80 HydrophobicContact CG2-CD1 4.18Å; W33-L80 HydrophobicContact CD2-CD2 4.18Å; W33-L80 HydrophobicContact CD2-CG 4.14Å; W33-L80 HydrophobicContact CE3-CD2 4Å; W33-L80 HydrophobicContact CE3-CG 4.41Å; W33-L80 HydrophobicContact CH2-CD1 3.83Å; W33-L80 HydrophobicContact CH2-CD2 4.01Å; W33-L80 HydrophobicContact CH2-CG 4.04Å; W33-L80 HydrophobicContact CZ2-CD1 3.55Å; W33-L80 HydrophobicContact CZ2-CD2 4.15Å; W33-L80 HydrophobicContact CZ2-CG 3.68Å; W33-L80 HydrophobicContact CZ3-CD2 3.92Å; W33-L80 HydrophobicContact CZ3-CG 4.37Å; L80-Q113 PolarHBondContact O-NE2 3.37Å; L80-P143 HydrophobicContact CD1-CG 4.06Å; L80-Y190 HydrophobicContact CD2-CD2 4.3Å |
| 81 | W | 91.8 | Very high | 86.8 | Confident | 68 Ų | 68 | 28.2 Ų | 28.2 | 26% | 0.258 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -98.6 | -14.6 | -172.9 | -61.6 | 94.2 | 0 | 0 | 0 | 115 | F108 F140 | W81-F108 PolarHBondContact O-N 3.37Å; W81-F140 AromaticContact CD2-CE2 3.66Å; W81-F140 HydrophobicContact CD2-CE2 3.66Å; W81-F140 HydrophobicContact CD2-CZ 4.38Å; W81-F140 AromaticContact CE2-CE2 3.42Å; W81-F140 VanDerWaalsContact CE2-CE2 3.42Å; W81-F140 AromaticContact CE2-CZ 3.99Å; W81-F140 AromaticContact CE3-CE2 3.6Å; W81-F140 HydrophobicContact CE3-CE2 3.6Å; W81-F140 HydrophobicContact CE3-CZ 4.04Å; W81-F140 HydrophobicContact CH2-CE1 4.06Å; W81-F140 AromaticContact CH2-CE2 3.28Å; W81-F140 HydrophobicContact CH2-CE2 3.28Å; W81-F140 AromaticContact CH2-CZ 2.96Å; W81-F140 HydrophobicContact CH2-CZ 2.96Å; W81-F140 HydrophobicContact CZ2-CD2 4.27Å; W81-F140 HydrophobicContact CZ2-CE1 4.28Å; W81-F140 AromaticContact CZ2-CE2 3.23Å; W81-F140 HydrophobicContact CZ2-CE2 3.23Å; W81-F140 AromaticContact CZ2-CZ 3.29Å; W81-F140 HydrophobicContact CZ2-CZ 3.29Å; W81-F140 AromaticContact CZ3-CE2 3.41Å; W81-F140 HydrophobicContact CZ3-CE2 3.41Å; W81-F140 VanDerWaalsContact CZ3-CE2 3.41Å; W81-F140 AromaticContact CZ3-CZ 3.33Å; W81-F140 HydrophobicContact CZ3-CZ 3.33Å |
| 82 | W | 92.4 | Very high | 85.2 | Confident | 88 Ų | 88 | 31.8 Ų | 31.8 | 33% | 0.333 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 140.3 | -168.2 | -53.1 | 96.4 | 0 | 0 | 0 | 110.1 | Q31 G79 C105 N107 | Q31-W82 HydrophobicContact CB-CB 3.92Å; G79-W82 PolarHBondContact N-O 2.97Å; W82-C105 HydrophobicContact CE3-CB 4.22Å; W82-N107 HydrophobicContact CD2-CB 4.44Å; W82-N107 HydrophobicContact CE3-CB 3.74Å; W82-N107 HydrophobicContact CH2-CB 3.95Å; W82-N107 HydrophobicContact CZ3-CB 3.5Å; W82-N107 VanDerWaalsContact CZ3-CB 3.5Å |
| 83 | R | 94 | Very high | 84 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 1% | 0.011 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 130 | 161 | -62.2 | -63 | 175.7 | -107 | 11.4 | 106.2 | F57 L71 G79 C105 R106 F108 W136 | F57-R83 HydrophobicContact CE2-CB 4.02Å; F57-R83 HydrophobicContact CZ-CB 3.93Å; L71-R83 HydrophobicContact CD1-CB 4.37Å; L71-R83 HydrophobicContact CD1-CG 4.26Å; L71-R83 HydrophobicContact CD2-CB 4.26Å; G79-R83 PolarHBondContact O-NH1 3.34Å; R83-C105 WeakPolarHBondContact O-CA 3.35Å; R83-R106 PolarHBondContact N-O 2.89Å; R83-R106 VanDerWaalsContact N-O 3.09Å; R83-R106 PolarHBondContact O-N 3.4Å; R83-F108 HydrophobicContact CB-CE2 3.7Å; R83-F108 HydrophobicContact CB-CZ 4.04Å; R83-F108 HydrophobicContact CG-CD2 4.15Å; R83-F108 HydrophobicContact CG-CE1 4.03Å; R83-F108 HydrophobicContact CG-CE2 3.32Å; R83-F108 HydrophobicContact CG-CZ 3.28Å; R83-W136 VanDerWaalsContact NH2-CH2 3.28Å |
| 84 | C | 94.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 151.4 | -179.8 | -45.5 | 0 | 0 | 0 | 0 | 110.3 | L71 G76 T77 L103 E104 C105 | L71-C84 VanDerWaalsContact CD2-O 3.3Å; L71-C84 WeakPolarHBondContact CD2-O 3.26Å; G76-C84 CarbonylContact C-O 3.59Å; G76-C84 WeakPolarHBondContact CA-O 3.2Å; T77-C84 PolarHBondContact N-O 3.48Å; T77-C84 PolarHBondContact O-N 3.32Å; T77-C84 WeakPolarHBondContact OG1-CB 2.99Å; C84-L103 HydrophobicContact CB-CD1 3.67Å; C84-L103 HydrophobicContact CB-CD2 4.31Å; C84-L103 HydrophobicContact CB-CG 3.85Å; C84-E104 CarbonylContact C-O 3.5Å; C84-E104 WeakPolarHBondContact CA-O 3.39Å; C84-E104 WeakPolarHBondContact CB-O 3.24Å; C84-C105 HydrophobicContact CB-CB 3.98Å; C84-C105 WeakPolarHBondContact CB-SG 3.4Å; C84-C105 WeakPolarHBondContact SG-CB 3.41Å; C84-C105 CovalentContact SG-SG 2.03Å; C84-C105 PolarHBondContact SG-SG 3.43Å |
| 85 | V | 92.8 | Very high | 81.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 152 | 177.7 | -68.7 | 0 | 0 | 0 | 0 | 109.3 | Y54 F57 T70 L71 L74 V87 E104 | Y54-V85 HydrophobicContact CD2-CG2 4.16Å; F57-V85 HydrophobicContact CD1-CG2 4.14Å; F57-V85 HydrophobicContact CE1-CG1 4.49Å; F57-V85 HydrophobicContact CE1-CG2 4.03Å; T70-V85 HydrophobicContact CG2-CG1 4.07Å; L71-V85 HydrophobicContact CD2-CG1 3.99Å; L74-V85 HydrophobicContact CB-CB 3.96Å; L74-V85 HydrophobicContact CB-CG1 4.13Å; V85-V87 HydrophobicContact CG2-CG1 4.06Å; V85-E104 PolarHBondContact N-O 2.91Å; V85-E104 PolarHBondContact O-N 3.4Å |
| 86 | L | 88.4 | Confident | 79.8 | Confident | 48 Ų | 48 | 47.7 Ų | 47.7 | 25% | 0.251 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 114.5 | 179.2 | -165.1 | 76.7 | 0 | 0 | 0 | 108.9 | L74 N75 M101 L102 L103 | L74-L86 PolarHBondContact O-N 2.68Å; N75-L86 HydrophobicContact CB-CB 3.96Å; L86-M101 HydrophobicContact CD1-CB 3.85Å; L86-M101 HydrophobicContact CD2-CB 3.72Å; L86-M101 HydrophobicContact CD2-CG 3.92Å; L86-M101 HydrophobicContact CG-CB 3.65Å; L86-M101 HydrophobicContact CG-CG 4.17Å; L86-L102 WeakPolarHBondContact CA-O 3.22Å; L86-L103 HydrophobicContact CD1-CB 4.46Å; L86-L103 HydrophobicContact CD1-CD1 4.47Å |
| 87 | V | 84.6 | Confident | 78.1 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.024 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 150.8 | -174.3 | -68.1 | 0 | 0 | 0 | 0 | 112.1 | Y54 L74 V85 W93 L102 E104 | Y54-V87 HydrophobicContact CD2-CG1 3.73Å; Y54-V87 HydrophobicContact CD2-CG2 4.31Å; Y54-V87 HydrophobicContact CE2-CG1 4.24Å; Y54-V87 HydrophobicContact CE2-CG2 3.98Å; Y54-V87 HydrophobicContact CG-CG1 4.32Å; L74-V87 HydrophobicContact CD1-CG1 4.12Å; L74-V87 HydrophobicContact CD2-CG1 4.44Å; V85-V87 HydrophobicContact CG2-CG1 4.06Å; V87-W93 HydrophobicContact CB-CZ2 4.24Å; V87-W93 HydrophobicContact CG1-CH2 4.28Å; V87-W93 HydrophobicContact CG1-CZ2 4.36Å; V87-L102 PolarHBondContact N-O 2.89Å; V87-L102 PolarHBondContact O-N 2.91Å; V87-E104 HydrophobicContact CG2-CB 4.14Å; V87-E104 HydrophobicContact CG2-CG 3.73Å |
| 88 | P | 78.1 | Confident | 76.4 | Confident | 22 Ų | 22 | 60.7 Ų | 60.7 | 14% | 0.143 | 32% | 0.323 | C | S | . | . | trans | -69.6 | 155.6 | 170.4 | 30.3 | -34 | 0 | 0 | 0 | 110.4 | W93 P99 M101 | P88-W93 HydrophobicContact CG-CD2 3.87Å; P88-W93 HydrophobicContact CG-CE3 4.24Å; P88-W93 HydrophobicContact CG-CG 4.05Å; P88-P99 HydrophobicContact CB-CB 4.35Å; P88-M101 HydrophobicContact CB-SD 4.47Å | ||
| 89 | P | 71.6 | Confident | 75.1 | Confident | 38 Ų | 38 | 62.1 Ų | 62.1 | 25% | 0.247 | 33% | 0.333 | C | S | . | . | trans | -57.6 | 145 | 176 | -18.8 | 30.3 | 0 | 0 | 0 | 110.9 | A91 H92 K100 L102 | P89-A91 PolarHBondContact O-N 2.88Å; P89-H92 PolarHBondContact O-N 2.88Å; P89-K100 WeakPolarHBondContact CD-O 3.43Å; P89-L102 HydrophobicContact CB-CD1 4.26Å; P89-L102 HydrophobicContact CG-CD1 4.06Å; P89-L102 HydrophobicContact CG-CG 4.4Å | ||
| 90 | S | 63.4 | Low | 74.2 | Confident | 100 Ų | 100 | 70.2 Ų | 70.2 | 70% | 0.699 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -24 | -171.4 | 55.4 | 0 | 0 | 0 | 0 | 115.9 | ||
| 91 | A | 56.8 | Low | 73.7 | Confident | 79 Ų | 79 | 73 Ų | 73 | 65% | 0.653 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -18.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P89 | P89-A91 PolarHBondContact O-N 2.88Š|
| 92 | H | 58.9 | Low | 73.5 | Confident | 79 Ų | 79 | 73.1 Ų | 73.1 | 37% | 0.366 | 39% | 0.387 | S | S | . | . | trans | -121.4 | 30.4 | -166.2 | -59.9 | -87.1 | 0 | 0 | 0 | 113.7 | P89 S94 E96 | P89-H92 PolarHBondContact O-N 2.88Å; H92-S94 PolarHBondContact O-N 3.31Å; H92-E96 IonicContact CE1-OE1 2.74Å; H92-E96 IonicContact ND1-OE1 3.73Å; H92-E96 PolarHBondContact ND1-OE1 3.43Å; H92-E96 IonicContact ND1-OE2 3.16Å | ||
| 93 | W | 65.4 | Low | 73.3 | Confident | 29 Ų | 29 | 72.3 Ų | 72.3 | 11% | 0.11 | 39% | 0.389 | C | S | . | . | trans | -62.6 | -9.3 | 168.2 | -73.9 | 71 | 0 | 0 | 0 | 112.5 | V47 L50 R51 Y54 V87 P88 | V47-W93 HydrophobicContact CG1-CB 3.77Å; V47-W93 HydrophobicContact CG1-CE3 4.09Å; V47-W93 WeakPolarHBondContact CG1-O 3.37Å; L50-W93 HydrophobicContact CB-CZ3 3.76Å; R51-W93 VanDerWaalsContact CA-CZ3 3.49Å; R51-W93 HydrophobicContact CB-CD2 4.29Å; R51-W93 HydrophobicContact CB-CE3 3.87Å; R51-W93 HydrophobicContact CB-CH2 4.15Å; R51-W93 HydrophobicContact CB-CZ3 3.8Å; R51-W93 VanDerWaalsContact N-CZ3 3.32Å; Y54-W93 HydrophobicContact CD1-CZ2 4.12Å; Y54-W93 HydrophobicContact CG-CH2 4.29Å; Y54-W93 HydrophobicContact CG-CZ2 4.17Å; V87-W93 HydrophobicContact CB-CZ2 4.24Å; V87-W93 HydrophobicContact CG1-CH2 4.28Å; V87-W93 HydrophobicContact CG1-CZ2 4.36Å; P88-W93 HydrophobicContact CG-CD2 3.87Å; P88-W93 HydrophobicContact CG-CE3 4.24Å; P88-W93 HydrophobicContact CG-CG 4.05Å | ||
| 94 | S | 58.4 | Low | 73.3 | Confident | 95 Ų | 95 | 75.6 Ų | 75.6 | 66% | 0.664 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -85 | 140.6 | 175 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | H92 E96 | H92-S94 PolarHBondContact O-N 3.31Å; S94-E96 PolarHBondContact O-N 2.93Å |
| 95 | R | 56.7 | Low | 73.2 | Confident | 236 Ų | 236 | 77.7 Ų | 77.7 | 89% | 0.891 | 42% | 0.418 | S | S | * | . | trans | -47 | 91.8 | -174.6 | -76.1 | 178.3 | 174.1 | 168.5 | -2.8 | 114.2 | ||||
| 96 | E | 58.9 | Low | 73.2 | Confident | 99 Ų | 99 | 80 Ų | 80 | 46% | 0.463 | 43% | 0.427 | S | S | . | . | trans | -96.2 | 148.5 | 154.9 | -80.4 | 175.7 | -161.8 | 0 | 0 | 109.2 | H92 S94 D98 P99 | H92-E96 IonicContact CE1-OE1 2.74Å; H92-E96 IonicContact ND1-OE1 3.73Å; H92-E96 PolarHBondContact ND1-OE1 3.43Å; H92-E96 IonicContact ND1-OE2 3.16Å; S94-E96 PolarHBondContact O-N 2.93Å; E96-D98 PolarHBondContact O-N 3.49Å; E96-P99 WeakPolarHBondContact O-CD 3.49Å | ||
| 97 | P | 57 | Low | 73.3 | Confident | 127 Ų | 127 | 82.3 Ų | 82.3 | 83% | 0.825 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -69.7 | -14.2 | -176.7 | 24 | -30.5 | 0 | 0 | 0 | 114.2 | ||
| 98 | D | 60.2 | Low | 73.5 | Confident | 152 Ų | 152 | 82.6 Ų | 82.6 | 81% | 0.813 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -157.6 | 73.9 | 174.4 | -89.7 | -42.7 | 0 | 0 | 0 | 111.5 | E96 K100 | E96-D98 PolarHBondContact O-N 3.49Å; D98-K100 PolarHBondContact O-N 3.33Å |
| 99 | P | 67.5 | Low | 74 | Confident | 34 Ų | 34 | 85.1 Ų | 85.1 | 22% | 0.221 | 46% | 0.456 | C | S | . | . | trans | -68.7 | 134.5 | 178.1 | 28 | -32.1 | 0 | 0 | 0 | 110 | P88 E96 M101 | P88-P99 HydrophobicContact CB-CB 4.35Å; E96-P99 WeakPolarHBondContact O-CD 3.49Å; P99-M101 HydrophobicContact CG-CE 4.1Å; P99-M101 PolarHBondContact O-N 3.44Å | ||
| 100 | K | 75 | Confident | 74.8 | Confident | 170 Ų | 170 | 88.1 Ų | 88.1 | 74% | 0.739 | 47% | 0.469 | S | S | * | . | trans | -66 | 98.8 | 173.6 | -175.3 | -180 | 178.5 | -178.5 | 0 | 109.4 | P89 D98 | P89-K100 WeakPolarHBondContact CD-O 3.43Å; D98-K100 PolarHBondContact O-N 3.33Å | ||
| 101 | M | 81.7 | Confident | 76.1 | Confident | 62 Ų | 62 | 90.2 Ų | 90.2 | 31% | 0.305 | 47% | 0.472 | S | S | . | . | trans | -64 | 138.2 | 177.7 | -69.3 | -62.5 | -177.8 | 0 | 0 | 111.9 | V41 L86 P88 P99 | V41-M101 HydrophobicContact CG1-CE 3.32Å; V41-M101 HydrophobicContact CG1-SD 4.43Å; L86-M101 HydrophobicContact CD1-CB 3.85Å; L86-M101 HydrophobicContact CD2-CB 3.72Å; L86-M101 HydrophobicContact CD2-CG 3.92Å; L86-M101 HydrophobicContact CG-CB 3.65Å; L86-M101 HydrophobicContact CG-CG 4.17Å; P88-M101 HydrophobicContact CB-SD 4.47Å; P99-M101 HydrophobicContact CG-CE 4.1Å; P99-M101 PolarHBondContact O-N 3.44Å | ||
| 102 | L | 86.8 | Confident | 77.7 | Confident | 70 Ų | 70 | 88.2 Ų | 88.2 | 37% | 0.366 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141 | 177.9 | -62.4 | 177.4 | 0 | 0 | 0 | 110.1 | L86 V87 P89 | L86-L102 WeakPolarHBondContact CA-O 3.22Å; V87-L102 PolarHBondContact N-O 2.89Å; V87-L102 PolarHBondContact O-N 2.91Å; P89-L102 HydrophobicContact CB-CD1 4.26Å; P89-L102 HydrophobicContact CG-CD1 4.06Å; P89-L102 HydrophobicContact CG-CG 4.4Å |
| 103 | L | 89.8 | Confident | 79.1 | Confident | 71 Ų | 71 | 84.6 Ų | 84.6 | 37% | 0.372 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 110.6 | 175.8 | -172 | 73.1 | 0 | 0 | 0 | 108.7 | Q31 C84 L86 | Q31-L103 HydrophobicContact CG-CD2 4.32Å; C84-L103 HydrophobicContact CB-CD1 3.67Å; C84-L103 HydrophobicContact CB-CD2 4.31Å; C84-L103 HydrophobicContact CB-CG 3.85Å; L86-L103 HydrophobicContact CD1-CB 4.46Å; L86-L103 HydrophobicContact CD1-CD1 4.47Å |
| 104 | E | 92.1 | Very high | 80.3 | Confident | 72 Ų | 72 | 85.7 Ų | 85.7 | 34% | 0.336 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 131.3 | 176.9 | -75.3 | -64.8 | 166.2 | 0 | 0 | 109.9 | Y54 C84 V85 V87 | Y54-E104 HydrophobicContact CE2-CB 4.06Å; Y54-E104 HydrophobicContact CE2-CG 4.24Å; C84-E104 CarbonylContact C-O 3.5Å; C84-E104 WeakPolarHBondContact CA-O 3.39Å; C84-E104 WeakPolarHBondContact CB-O 3.24Å; V85-E104 PolarHBondContact N-O 2.91Å; V85-E104 PolarHBondContact O-N 3.4Å; V87-E104 HydrophobicContact CG2-CB 4.14Å; V87-E104 HydrophobicContact CG2-CG 3.73Å |
| 105 | C | 93.3 | Very high | 81.9 | Confident | 44 Ų | 44 | 83.2 Ų | 83.2 | 30% | 0.297 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 136.1 | -171 | -66.4 | 0 | 0 | 0 | 0 | 112 | W82 R83 C84 | W82-C105 HydrophobicContact CE3-CB 4.22Å; R83-C105 WeakPolarHBondContact O-CA 3.35Å; C84-C105 HydrophobicContact CB-CB 3.98Å; C84-C105 WeakPolarHBondContact CB-SG 3.4Å; C84-C105 WeakPolarHBondContact SG-CB 3.41Å; C84-C105 CovalentContact SG-SG 2.03Å; C84-C105 PolarHBondContact SG-SG 3.43Å |
| 106 | R | 92.2 | Very high | 83.6 | Confident | 48 Ų | 48 | 74 Ų | 74 | 18% | 0.181 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 131.6 | 167.4 | -174.5 | 171.5 | 173.5 | 176.3 | 2.5 | 109.4 | F57 G60 R83 F108 | F57-R106 HydrophobicContact CE1-CB 4.02Å; F57-R106 HydrophobicContact CZ-CB 3.81Å; F57-R106 WeakPolarHBondContact O-CD 3.35Å; F57-R106 PolarHBondContact O-NH1 3.49Å; G60-R106 PolarHBondContact O-NH1 2.81Å; G60-R106 PolarHBondContact O-NH2 3.01Å; G60-R106 VanDerWaalsContact O-NH2 3.12Å; R83-R106 PolarHBondContact N-O 2.89Å; R83-R106 VanDerWaalsContact N-O 3.09Å; R83-R106 PolarHBondContact O-N 3.4Å; R106-F108 HydrophobicContact CG-CE2 4.47Å |
| 107 | N | 91.3 | Very high | 85.3 | Confident | 98 Ų | 98 | 69.4 Ų | 69.4 | 52% | 0.524 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 149.5 | 172 | 60.8 | -2.8 | 0 | 0 | 0 | 110.9 | W82 | W82-N107 HydrophobicContact CD2-CB 4.44Å; W82-N107 HydrophobicContact CE3-CB 3.74Å; W82-N107 HydrophobicContact CH2-CB 3.95Å; W82-N107 HydrophobicContact CZ3-CB 3.5Å; W82-N107 VanDerWaalsContact CZ3-CB 3.5Å |
| 108 | F | 87.8 | Confident | 87 | Confident | 9 Ų | 9 | 65.4 Ų | 65.4 | 4% | 0.039 | 34% | 0.337 | C | S | . | . | trans | -111.7 | 126.5 | -179.3 | -76.5 | -135.8 | 0 | 0 | 0 | 107.6 | F62 Y67 W81 R83 R106 Q113 | F62-F108 HydrophobicContact CD2-CE1 4.36Å; F62-F108 AromaticContact CE2-CD1 3.44Å; F62-F108 HydrophobicContact CE2-CD1 3.44Å; F62-F108 VanDerWaalsContact CE2-CD1 3.44Å; F62-F108 AromaticContact CE2-CE1 3.25Å; F62-F108 HydrophobicContact CE2-CE1 3.25Å; F62-F108 HydrophobicContact CE2-CG 4.3Å; F62-F108 AromaticContact CE2-CZ 3.94Å; F62-F108 HydrophobicContact CE2-CZ 3.94Å; F62-F108 AromaticContact CZ-CD1 3.93Å; F62-F108 HydrophobicContact CZ-CD1 3.93Å; F62-F108 AromaticContact CZ-CE1 3.76Å; F62-F108 HydrophobicContact CZ-CE1 3.76Å; Y67-F108 HydrophobicContact CD1-CE1 4.19Å; Y67-F108 HydrophobicContact CD1-CZ 4.05Å; Y67-F108 AromaticContact CE1-CE1 3.97Å; Y67-F108 HydrophobicContact CE1-CE1 3.97Å; Y67-F108 HydrophobicContact CE1-CZ 4.31Å; Y67-F108 HydrophobicContact CG-CZ 4.25Å; W81-F108 PolarHBondContact O-N 3.37Å; R83-F108 HydrophobicContact CB-CE2 3.7Å; R83-F108 HydrophobicContact CB-CZ 4.04Å; R83-F108 HydrophobicContact CG-CD2 4.15Å; R83-F108 HydrophobicContact CG-CE1 4.03Å; R83-F108 HydrophobicContact CG-CE2 3.32Å; R83-F108 HydrophobicContact CG-CZ 3.28Å; R106-F108 HydrophobicContact CG-CE2 4.47Å; F108-Q113 HydrophobicContact CB-CG 4.19Å | ||
| 109 | T | 90.1 | Very high | 88.6 | Confident | 75 Ų | 75 | 64.4 Ų | 64.4 | 46% | 0.46 | 33% | 0.325 | S | S | . | . | trans | -70.4 | 161.6 | 174.2 | 65.7 | 0 | 0 | 0 | 0 | 110.9 | L111 E112 Q113 | T109-L111 PolarHBondContact O-N 3.48Å; T109-E112 WeakPolarHBondContact CB-OE2 3.2Å; T109-E112 WeakPolarHBondContact CG2-OE2 3.4Å; T109-E112 PolarHBondContact N-OE2 3.05Å; T109-E112 PolarHBondContact O-N 3.37Å; T109-E112 VanDerWaalsContact OG1-CD 3.29Å; T109-E112 VanDerWaalsContact OG1-CG 3.27Å; T109-E112 WeakPolarHBondContact OG1-CG 3.27Å; T109-E112 PolarHBondContact OG1-N 3.26Å; T109-E112 PolarHBondContact OG1-OE2 3.49Å; T109-Q113 WeakPolarHBondContact O-CG 3.3Å; T109-Q113 PolarHBondContact O-N 2.97Å | ||
| 110 | L | 88.1 | Confident | 89.7 | Confident | 102 Ų | 102 | 68.1 Ų | 68.1 | 53% | 0.534 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.3 | -33.9 | 177.9 | -170.7 | 139.7 | 0 | 0 | 0 | 112.1 | Q113 F114 F140 | L110-Q113 PolarHBondContact O-N 3.03Å; L110-F114 HydrophobicContact CD2-CD2 4.28Å; L110-F114 HydrophobicContact CD2-CE2 4.32Å; L110-F114 HydrophobicContact CG-CD2 4.31Å; L110-F114 HydrophobicContact CG-CE2 4.19Å; L110-F114 WeakPolarHBondContact O-CD2 3.34Å; L110-F114 PolarHBondContact O-N 2.88Å; L110-F140 HydrophobicContact CD1-CE1 3.94Å; L110-F140 HydrophobicContact CD1-CZ 4.12Å; L110-F140 HydrophobicContact CG-CE1 4.31Å; L110-F140 HydrophobicContact CG-CZ 4.38Å |
| 111 | L | 90.4 | Very high | 90.4 | Very high | 143 Ų | 143 | 60.9 Ų | 60.9 | 75% | 0.749 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65 | -44.7 | 176.5 | -174.8 | 64.8 | 0 | 0 | 0 | 111.2 | T109 Q113 F114 T115 | T109-L111 PolarHBondContact O-N 3.48Å; L111-Q113 VanDerWaalsContact C-N 3.32Å; L111-Q113 PolarHBondContact O-N 2.9Å; L111-F114 PolarHBondContact O-N 3.49Å; L111-F114 VanDerWaalsContact O-N 3.14Å; L111-T115 PolarHBondContact O-N 3.31Å |
| 112 | E | 90.3 | Very high | 90.6 | Very high | 38 Ų | 38 | 58.9 Ų | 58.9 | 18% | 0.178 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.3 | -35.3 | 176.8 | -73 | 166.7 | 140.8 | 0 | 0 | 112.4 | F62 T109 F114 T115 | F62-E112 HydrophobicContact CB-CG 4.29Å; F62-E112 HydrophobicContact CD1-CB 4.44Å; F62-E112 HydrophobicContact CD1-CG 4.33Å; F62-E112 HydrophobicContact CD2-CB 3.89Å; F62-E112 HydrophobicContact CD2-CG 3.71Å; F62-E112 HydrophobicContact CE1-CB 4.27Å; F62-E112 HydrophobicContact CE2-CB 3.67Å; F62-E112 HydrophobicContact CE2-CG 4.05Å; F62-E112 HydrophobicContact CG-CB 4.25Å; F62-E112 HydrophobicContact CG-CG 3.84Å; F62-E112 HydrophobicContact CZ-CB 3.88Å; F62-E112 WeakPolarHBondContact CZ-O 3.48Å; T109-E112 WeakPolarHBondContact CB-OE2 3.2Å; T109-E112 WeakPolarHBondContact CG2-OE2 3.4Å; T109-E112 PolarHBondContact N-OE2 3.05Å; T109-E112 PolarHBondContact O-N 3.37Å; T109-E112 VanDerWaalsContact OG1-CD 3.29Å; T109-E112 VanDerWaalsContact OG1-CG 3.27Å; T109-E112 WeakPolarHBondContact OG1-CG 3.27Å; T109-E112 PolarHBondContact OG1-N 3.26Å; T109-E112 PolarHBondContact OG1-OE2 3.49Å; E112-F114 PolarHBondContact O-N 2.88Å; E112-T115 WeakPolarHBondContact O-CG2 3.32Å; E112-T115 PolarHBondContact O-N 3.48Å; E112-T115 PolarHBondContact O-OG1 3.36Å |
| 113 | Q | 88.3 | Confident | 90.8 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.009 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.8 | -25.6 | 175.8 | -68.9 | -70.2 | -2.9 | 0 | 0 | 113.2 | L80 F108 T109 L110 L111 F140 | L80-Q113 PolarHBondContact O-NE2 3.37Å; F108-Q113 HydrophobicContact CB-CG 4.19Å; T109-Q113 WeakPolarHBondContact O-CG 3.3Å; T109-Q113 PolarHBondContact O-N 2.97Å; L110-Q113 PolarHBondContact O-N 3.03Å; L111-Q113 VanDerWaalsContact C-N 3.32Å; L111-Q113 PolarHBondContact O-N 2.9Å; Q113-F140 HydrophobicContact CB-CE2 4.38Å; Q113-F140 HydrophobicContact CG-CD2 4.28Å; Q113-F140 HydrophobicContact CG-CE2 3.94Å; Q113-F140 HydrophobicContact CG-CZ 4.44Å |
| 114 | F | 90.9 | Very high | 90.7 | Very high | 53 Ų | 53 | 60.1 Ų | 60.1 | 23% | 0.232 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 1.8 | -176.6 | -81.6 | -105.1 | 0 | 0 | 0 | 113.8 | L110 L111 E112 R137 F140 L141 | L110-F114 HydrophobicContact CD2-CD2 4.28Å; L110-F114 HydrophobicContact CD2-CE2 4.32Å; L110-F114 HydrophobicContact CG-CD2 4.31Å; L110-F114 HydrophobicContact CG-CE2 4.19Å; L110-F114 WeakPolarHBondContact O-CD2 3.34Å; L110-F114 PolarHBondContact O-N 2.88Å; L111-F114 PolarHBondContact O-N 3.49Å; L111-F114 VanDerWaalsContact O-N 3.14Å; E112-F114 PolarHBondContact O-N 2.88Å; F114-R137 HydrophobicContact CD1-CB 4.47Å; F114-R137 HydrophobicContact CD1-CG 3.76Å; F114-R137 HydrophobicContact CE1-CB 4.23Å; F114-R137 HydrophobicContact CE1-CG 4.01Å; F114-R137 HydrophobicContact CG-CG 4.33Å; F114-R137 PolarHBondContact O-NE 2.92Å; F114-R137 PolarHBondContact O-NH2 3.28Å; F114-F140 AromaticContact CE2-CD1 3.75Å; F114-F140 HydrophobicContact CE2-CD1 3.75Å; F114-F140 AromaticContact CE2-CE1 3.83Å; F114-F140 HydrophobicContact CE2-CE1 3.83Å; F114-F140 HydrophobicContact CZ-CD1 4.23Å; F114-L141 HydrophobicContact CE1-CD1 3.94Å; F114-L141 HydrophobicContact CE1-CD2 4.38Å; F114-L141 HydrophobicContact CE1-CG 4.19Å; F114-L141 HydrophobicContact CZ-CD1 3.96Å; F114-L141 HydrophobicContact CZ-CD2 3.67Å; F114-L141 HydrophobicContact CZ-CG 3.68Å |
| 115 | T | 91.5 | Very high | 90.7 | Very high | 42 Ų | 42 | 64.1 Ų | 64.1 | 26% | 0.258 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -56 | 135.5 | 174.3 | 56.8 | 0 | 0 | 0 | 0 | 110.4 | F62 L111 E112 | F62-T115 HydrophobicContact CD1-CG2 4.08Å; F62-T115 HydrophobicContact CE1-CG2 3.9Å; F62-T115 WeakPolarHBondContact CE1-OG1 3.45Å; L111-T115 PolarHBondContact O-N 3.31Å; E112-T115 WeakPolarHBondContact O-CG2 3.32Å; E112-T115 PolarHBondContact O-N 3.48Å; E112-T115 PolarHBondContact O-OG1 3.36Å |
| 116 | P | 93 | Very high | 90.6 | Very high | 43 Ų | 43 | 63.2 Ų | 63.2 | 28% | 0.279 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 146.5 | 173 | -24.9 | 34.6 | 0 | 0 | 0 | 112.1 | E128 | P116-E128 HydrophobicContact CB-CG 4.04Š|
| 117 | K | 93.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.009 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -100.8 | 136.7 | 172.1 | -58.8 | -51.6 | -171.1 | -176.2 | 0 | 108.5 | Y67 D129 R132 T133 W136 | Y67-K117 PolarHBondContact OH-NZ 2.93Å; K117-D129 PolarHBondContact O-N 3.4Å; K117-R132 HydrophobicContact CB-CB 4.04Å; K117-R132 HydrophobicContact CB-CG 3.99Å; K117-R132 HydrophobicContact CG-CG 4.17Å; K117-T133 WeakPolarHBondContact CB-OG1 3.36Å; K117-T133 PolarHBondContact N-OG1 3.49Å; K117-T133 PolarHBondContact O-OG1 3.35Å; K117-W136 HydrophobicContact CG-CB 4.45Å |
| 118 | Y | 93.4 | Very high | 90.8 | Very high | 44 Ų | 44 | 61 Ų | 61 | 17% | 0.173 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -106.4 | 153.8 | -172.5 | -64.8 | -78 | 0 | 0 | 0 | 112.3 | E120 N123 H124 G127 R132 | Y118-E120 WeakPolarHBondContact CB-O 3.2Å; Y118-E120 PolarHBondContact O-N 3.43Å; Y118-E120 VanDerWaalsContact O-N 3.13Å; Y118-N123 WeakPolarHBondContact CB-O 3.26Å; Y118-H124 HydrophobicContact CE1-CB 4.29Å; Y118-H124 HydrophobicContact CE2-CB 4.45Å; Y118-H124 AromaticContact CE2-CD2 3.57Å; Y118-H124 AromaticContact CE2-CG 3.82Å; Y118-H124 AromaticContact CE2-NE2 3.77Å; Y118-H124 AromaticContact CZ-CD2 3.51Å; Y118-H124 AromaticContact CZ-CG 3.86Å; Y118-H124 PolarHBondContact OH-CD2 3.44Å; Y118-H124 VanDerWaalsContact OH-CD2 3.22Å; Y118-G127 WeakPolarHBondContact CA-O 3.49Å; Y118-R132 PolarHBondContact O-NH1 3.4Å; Y118-R132 PolarHBondContact O-NH2 2.98Å |
| 119 | K | 92.6 | Very high | 91.2 | Very high | 131 Ų | 131 | 62.1 Ų | 62.1 | 57% | 0.57 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -54.2 | -37.6 | -179.4 | -69.2 | -174.7 | -171.1 | 167.9 | 0 | 112.6 | S126 G127 D129 V200 | K119-S126 WeakPolarHBondContact CD-O 3.21Å; K119-S126 PolarHBondContact N-OG 3.39Å; K119-G127 PolarHBondContact N-O 3Å; K119-D129 HydrophobicContact CG-CB 4.47Å; K119-V200 WeakPolarHBondContact O-CG1 3.15Å |
| 120 | E | 91.4 | Very high | 91.4 | Very high | 111 Ų | 111 | 63 Ų | 63 | 52% | 0.519 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -109.2 | 120.9 | 167.2 | -70.5 | 172.1 | -166.9 | 0 | 0 | 109 | Y118 G122 N123 S126 | Y118-E120 WeakPolarHBondContact CB-O 3.2Å; Y118-E120 PolarHBondContact O-N 3.43Å; Y118-E120 VanDerWaalsContact O-N 3.13Å; E120-G122 PolarHBondContact O-N 3.27Å; E120-N123 HydrophobicContact CB-CB 3.85Å; E120-N123 PolarHBondContact O-N 3.47Å; E120-N123 PolarHBondContact OE2-ND2 3.23Å; E120-S126 PolarHBondContact N-OG 3.29Å |
| 121 | P | 90.5 | Very high | 91.8 | Very high | 18 Ų | 18 | 63.1 Ų | 63.1 | 12% | 0.117 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 128.7 | 179.2 | -31.1 | 36.2 | 0 | 0 | 0 | 111.7 | E64 K65 N123 V200 | E64-P121 HydrophobicContact CG-CB 4.18Å; K65-P121 HydrophobicContact CB-CB 4.1Å; P121-N123 PolarHBondContact O-N 3.19Å; P121-N123 VanDerWaalsContact O-N 3.15Å; P121-V200 HydrophobicContact CG-CG1 3.9Å |
| 122 | G | 85.4 | Confident | 92 | Very high | 20 Ų | 20 | 56.4 Ų | 56.4 | 21% | 0.206 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | -13.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | D63 E120 H124 | D63-G122 WeakPolarHBondContact OD1-CA 3.38Å; E120-G122 PolarHBondContact O-N 3.27Å; G122-H124 PolarHBondContact O-N 3.49Å; G122-H124 PolarHBondContact O-ND1 2.9Å |
| 123 | N | 90.4 | Very high | 92.2 | Very high | 54 Ų | 54 | 54.6 Ų | 54.6 | 29% | 0.289 | 29% | 0.287 | S | S | . | . | trans | -92.3 | 97.6 | 178.6 | -177.1 | 7.2 | 0 | 0 | 0 | 111.6 | Y118 E120 P121 N125 S126 | Y118-N123 WeakPolarHBondContact CB-O 3.26Å; E120-N123 HydrophobicContact CB-CB 3.85Å; E120-N123 PolarHBondContact O-N 3.47Å; E120-N123 PolarHBondContact OE2-ND2 3.23Å; P121-N123 PolarHBondContact O-N 3.19Å; P121-N123 VanDerWaalsContact O-N 3.15Å; N123-N125 PolarHBondContact O-N 3.27Å; N123-N125 WeakPolarHBondContact OD1-CB 3.17Å; N123-N125 PolarHBondContact OD1-N 2.81Å; N123-N125 VanDerWaalsContact OD1-N 3.09Å; N123-S126 WeakPolarHBondContact O-CB 3.3Å; N123-S126 PolarHBondContact O-N 2.96Å; N123-S126 VanDerWaalsContact O-N 3.1Å; N123-S126 PolarHBondContact O-OG 3.32Å | ||
| 124 | H | 87.8 | Confident | 92.6 | Very high | 114 Ų | 114 | 60.6 Ų | 60.6 | 53% | 0.528 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -63.6 | -22.1 | -179.5 | -64.2 | 61.3 | 0 | 0 | 0 | 113.1 | Y118 G122 S126 | Y118-H124 HydrophobicContact CE1-CB 4.29Å; Y118-H124 HydrophobicContact CE2-CB 4.45Å; Y118-H124 AromaticContact CE2-CD2 3.57Å; Y118-H124 AromaticContact CE2-CG 3.82Å; Y118-H124 AromaticContact CE2-NE2 3.77Å; Y118-H124 AromaticContact CZ-CD2 3.51Å; Y118-H124 AromaticContact CZ-CG 3.86Å; Y118-H124 PolarHBondContact OH-CD2 3.44Å; Y118-H124 VanDerWaalsContact OH-CD2 3.22Å; G122-H124 PolarHBondContact O-N 3.49Å; G122-H124 PolarHBondContact O-ND1 2.9Å; H124-S126 VanDerWaalsContact C-N 3.33Å |
| 125 | N | 92.4 | Very high | 92.8 | Very high | 155 Ų | 155 | 59.4 Ų | 59.4 | 83% | 0.829 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -80 | -15 | 179.1 | -59.6 | -43.2 | 0 | 0 | 0 | 113 | N123 G127 | N123-N125 PolarHBondContact O-N 3.27Å; N123-N125 WeakPolarHBondContact OD1-CB 3.17Å; N123-N125 PolarHBondContact OD1-N 2.81Å; N123-N125 VanDerWaalsContact OD1-N 3.09Å; N125-G127 PolarHBondContact O-N 2.96Å |
| 126 | S | 92.3 | Very high | 92.9 | Very high | 25 Ų | 25 | 57.7 Ų | 57.7 | 18% | 0.175 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -73 | -10.1 | -180 | 69.6 | 0 | 0 | 0 | 0 | 113.5 | K119 E120 N123 H124 | K119-S126 WeakPolarHBondContact CD-O 3.21Å; K119-S126 PolarHBondContact N-OG 3.39Å; E120-S126 PolarHBondContact N-OG 3.29Å; N123-S126 WeakPolarHBondContact O-CB 3.3Å; N123-S126 PolarHBondContact O-N 2.96Å; N123-S126 VanDerWaalsContact O-N 3.1Å; N123-S126 PolarHBondContact O-OG 3.32Å; H124-S126 VanDerWaalsContact C-N 3.33Å |
| 127 | G | 93.1 | Very high | 93 | Very high | 30 Ų | 30 | 58.4 Ų | 58.4 | 31% | 0.309 | 29% | 0.292 | S | S | . | . | trans | 82.8 | 155.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y118 K119 N125 | Y118-G127 WeakPolarHBondContact CA-O 3.49Å; K119-G127 PolarHBondContact N-O 3Å; N125-G127 PolarHBondContact O-N 2.96Å | ||
| 128 | E | 94 | Very high | 93.1 | Very high | 71 Ų | 71 | 60.3 Ų | 60.3 | 33% | 0.332 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -68.2 | 133.7 | -178.6 | -172.2 | 174 | 165.6 | 0 | 0 | 111.4 | P116 M130 T133 | P116-E128 HydrophobicContact CB-CG 4.04Å; E128-M130 HydrophobicContact CB-SD 4.31Å; E128-M130 VanDerWaalsContact CD-SD 3.6Å; E128-M130 HydrophobicContact CG-SD 3.89Å; E128-M130 PolarHBondContact O-N 3.45Å; E128-T133 WeakPolarHBondContact OE1-CG2 3.48Å |
| 129 | D | 95 | Very high | 93.2 | Very high | 32 Ų | 32 | 58.3 Ų | 58.3 | 17% | 0.171 | 30% | 0.297 | C | S | . | . | trans | -88.6 | 94 | 164.3 | -176.6 | -16.8 | 0 | 0 | 0 | 108.2 | K117 K119 L131 R132 T133 | K117-D129 PolarHBondContact O-N 3.4Å; K119-D129 HydrophobicContact CG-CB 4.47Å; D129-L131 VanDerWaalsContact C-N 3.26Å; D129-L131 PolarHBondContact O-N 3.28Å; D129-L131 PolarHBondContact OD1-N 2.88Å; D129-R132 HydrophobicContact CB-CB 4.1Å; D129-R132 PolarHBondContact O-N 3.24Å; D129-R132 PolarHBondContact OD1-N 3.25Å; D129-R132 WeakPolarHBondContact OD2-CB 3.04Å; D129-R132 IonicContact OD2-NH1 3.31Å; D129-T133 WeakPolarHBondContact O-CB 3.42Å; D129-T133 PolarHBondContact O-N 3.34Å; D129-T133 PolarHBondContact O-OG1 3.15Å | ||
| 130 | M | 95.2 | Very high | 93.2 | Very high | 92 Ų | 92 | 52.2 Ų | 52.2 | 45% | 0.453 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.8 | -39.4 | -177.3 | -59.2 | -60.9 | -63.6 | 0 | 0 | 111.8 | E128 T133 Y134 | E128-M130 HydrophobicContact CB-SD 4.31Å; E128-M130 VanDerWaalsContact CD-SD 3.6Å; E128-M130 HydrophobicContact CG-SD 3.89Å; E128-M130 PolarHBondContact O-N 3.45Å; M130-T133 PolarHBondContact O-N 2.65Å; M130-Y134 HydrophobicContact CB-CD2 4.49Å; M130-Y134 HydrophobicContact CB-CE2 4.48Å; M130-Y134 HydrophobicContact CE-CE2 3.59Å; M130-Y134 WeakPolarHBondContact O-CD2 3.41Å; M130-Y134 PolarHBondContact O-N 3.01Å |
| 131 | L | 95.5 | Very high | 93.4 | Very high | 106 Ų | 106 | 50.6 Ų | 50.6 | 56% | 0.555 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -66.3 | -51.1 | -177.6 | 177.8 | 62.7 | 0 | 0 | 0 | 110.1 | D129 T133 Y134 L135 L196 | D129-L131 VanDerWaalsContact C-N 3.26Å; D129-L131 PolarHBondContact O-N 3.28Å; D129-L131 PolarHBondContact OD1-N 2.88Å; L131-T133 VanDerWaalsContact C-N 3.28Å; L131-T133 PolarHBondContact O-N 2.9Å; L131-Y134 PolarHBondContact O-N 3.39Å; L131-L135 HydrophobicContact CD1-CD1 3.95Å; L131-L135 HydrophobicContact CD1-CG 4.19Å; L131-L135 HydrophobicContact CG-CD1 3.9Å; L131-L135 WeakPolarHBondContact O-CB 3.27Å; L131-L135 VanDerWaalsContact O-CG 3.28Å; L131-L135 WeakPolarHBondContact O-CG 3.38Å; L131-L135 PolarHBondContact O-N 3.38Å; L131-L196 HydrophobicContact CD2-CD1 3.9Å; L131-L196 HydrophobicContact CG-CD1 4.03Å |
| 132 | R | 94.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 178 | -165.4 | 166.6 | 88.1 | -123.4 | 2.4 | 111.1 | E64 K117 Y118 D129 W136 | E64-R132 VanDerWaalsContact CD-NH2 3.29Å; E64-R132 IonicContact OE1-CZ 3.61Å; E64-R132 IonicContact OE1-NE 3.49Å; E64-R132 PolarHBondContact OE1-NE 3.43Å; E64-R132 IonicContact OE1-NH2 3.7Å; E64-R132 PolarHBondContact OE1-NH2 2.87Å; E64-R132 IonicContact OE2-CZ 3.99Å; E64-R132 IonicContact OE2-NE 3.02Å; E64-R132 IonicContact OE2-NH2 2.95Å; E64-R132 PolarHBondContact OE2-NH2 3.46Å; K117-R132 HydrophobicContact CB-CB 4.04Å; K117-R132 HydrophobicContact CB-CG 3.99Å; K117-R132 HydrophobicContact CG-CG 4.17Å; Y118-R132 PolarHBondContact O-NH1 3.4Å; Y118-R132 PolarHBondContact O-NH2 2.98Å; D129-R132 HydrophobicContact CB-CB 4.1Å; D129-R132 PolarHBondContact O-N 3.24Å; D129-R132 PolarHBondContact OD1-N 3.25Å; D129-R132 WeakPolarHBondContact OD2-CB 3.04Å; D129-R132 IonicContact OD2-NH1 3.31Å; R132-W136 VanDerWaalsContact O-CB 3.31Å; R132-W136 WeakPolarHBondContact O-CB 3.33Å; R132-W136 PolarHBondContact O-N 2.68Å |
| 133 | T | 95.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.7 | -49 | 177.7 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | K117 E128 D129 M130 L131 W136 R137 | K117-T133 WeakPolarHBondContact CB-OG1 3.36Å; K117-T133 PolarHBondContact N-OG1 3.49Å; K117-T133 PolarHBondContact O-OG1 3.35Å; E128-T133 WeakPolarHBondContact OE1-CG2 3.48Å; D129-T133 WeakPolarHBondContact O-CB 3.42Å; D129-T133 PolarHBondContact O-N 3.34Å; D129-T133 PolarHBondContact O-OG1 3.15Å; M130-T133 PolarHBondContact O-N 2.65Å; L131-T133 VanDerWaalsContact C-N 3.28Å; L131-T133 PolarHBondContact O-N 2.9Å; T133-W136 PolarHBondContact O-N 3.23Å; T133-R137 WeakPolarHBondContact O-CG 3.09Å; T133-R137 PolarHBondContact O-N 3.44Å |
| 134 | Y | 95.9 | Very high | 94.6 | Very high | 128 Ų | 128 | 51.4 Ų | 51.4 | 50% | 0.502 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -70.3 | -39.2 | -180 | -75.9 | -62.7 | 0 | 0 | 0 | 112.9 | M130 L131 W136 R137 C138 | M130-Y134 HydrophobicContact CB-CD2 4.49Å; M130-Y134 HydrophobicContact CB-CE2 4.48Å; M130-Y134 HydrophobicContact CE-CE2 3.59Å; M130-Y134 WeakPolarHBondContact O-CD2 3.41Å; M130-Y134 PolarHBondContact O-N 3.01Å; L131-Y134 PolarHBondContact O-N 3.39Å; Y134-W136 VanDerWaalsContact C-N 3.27Å; Y134-W136 PolarHBondContact O-N 3.27Å; Y134-R137 PolarHBondContact O-N 2.99Å; Y134-C138 VanDerWaalsContact O-CB 3.23Å; Y134-C138 WeakPolarHBondContact O-CB 3.24Å; Y134-C138 PolarHBondContact O-N 3.42Å; Y134-C138 PolarHBondContact O-SG 2.74Å |
| 135 | L | 96.3 | Very high | 95.1 | Very high | 27 Ų | 27 | 48.8 Ų | 48.8 | 14% | 0.141 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.1 | -43.5 | 174.2 | -70.6 | 169.5 | 0 | 0 | 0 | 111 | L131 C138 Q139 C189 A192 L196 | L131-L135 HydrophobicContact CD1-CD1 3.95Å; L131-L135 HydrophobicContact CD1-CG 4.19Å; L131-L135 HydrophobicContact CG-CD1 3.9Å; L131-L135 WeakPolarHBondContact O-CB 3.27Å; L131-L135 VanDerWaalsContact O-CG 3.28Å; L131-L135 WeakPolarHBondContact O-CG 3.38Å; L131-L135 PolarHBondContact O-N 3.38Å; L135-C138 PolarHBondContact O-N 3.32Å; L135-Q139 PolarHBondContact O-N 2.76Å; L135-C189 HydrophobicContact CD2-CB 4.15Å; L135-A192 HydrophobicContact CD1-CB 4.07Å; L135-A192 HydrophobicContact CD2-CB 4.28Å; L135-L196 HydrophobicContact CD1-CD1 3.57Å |
| 136 | W | 92.9 | Very high | 95.4 | Very high | 7 Ų | 7 | 41.4 Ų | 41.4 | 3% | 0.027 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.2 | -35.6 | 179.3 | -158.2 | -92.3 | 0 | 0 | 0 | 113.7 | R83 K117 R132 T133 Y134 Q139 M194 | R83-W136 VanDerWaalsContact NH2-CH2 3.28Å; K117-W136 HydrophobicContact CG-CB 4.45Å; R132-W136 VanDerWaalsContact O-CB 3.31Å; R132-W136 WeakPolarHBondContact O-CB 3.33Å; R132-W136 PolarHBondContact O-N 2.68Å; T133-W136 PolarHBondContact O-N 3.23Å; Y134-W136 VanDerWaalsContact C-N 3.27Å; Y134-W136 PolarHBondContact O-N 3.27Å; W136-Q139 VanDerWaalsContact CE3-NE2 3.26Å; W136-Q139 WeakPolarHBondContact O-CG 3.39Å; W136-M194 HydrophobicContact CZ3-SD 4.37Å |
| 137 | R | 95.3 | Very high | 95.6 | Very high | 58 Ų | 58 | 42 Ų | 42 | 22% | 0.219 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.7 | -41.4 | 173.4 | -69.9 | 173.8 | 177.6 | 165.5 | 2.6 | 111.5 | F114 T133 Y134 F140 L141 | F114-R137 HydrophobicContact CD1-CB 4.47Å; F114-R137 HydrophobicContact CD1-CG 3.76Å; F114-R137 HydrophobicContact CE1-CB 4.23Å; F114-R137 HydrophobicContact CE1-CG 4.01Å; F114-R137 HydrophobicContact CG-CG 4.33Å; F114-R137 PolarHBondContact O-NE 2.92Å; F114-R137 PolarHBondContact O-NH2 3.28Å; T133-R137 WeakPolarHBondContact O-CG 3.09Å; T133-R137 PolarHBondContact O-N 3.44Å; Y134-R137 PolarHBondContact O-N 2.99Å; R137-F140 PolarHBondContact O-N 2.8Å; R137-F140 VanDerWaalsContact O-N 3.14Å; R137-L141 PolarHBondContact O-N 3.38Å |
| 138 | C | 96.1 | Very high | 95.9 | Very high | 42 Ų | 42 | 42.5 Ų | 42.5 | 28% | 0.284 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.3 | -42.4 | -179.2 | -76.4 | 0 | 0 | 0 | 0 | 112.4 | Y134 L135 F140 L141 L142 C189 | Y134-C138 VanDerWaalsContact O-CB 3.23Å; Y134-C138 WeakPolarHBondContact O-CB 3.24Å; Y134-C138 PolarHBondContact O-N 3.42Å; Y134-C138 PolarHBondContact O-SG 2.74Å; L135-C138 PolarHBondContact O-N 3.32Å; C138-F140 PolarHBondContact O-N 3.34Å; C138-L141 PolarHBondContact O-N 3.4Å; C138-L142 HydrophobicContact CB-CD1 3.86Å; C138-L142 HydrophobicContact CB-CG 4.31Å; C138-L142 WeakPolarHBondContact O-CB 3.43Å; C138-L142 WeakPolarHBondContact O-CD1 3.46Å; C138-L142 WeakPolarHBondContact O-CG 3.03Å; C138-L142 PolarHBondContact O-N 2.92Å; C138-C189 HydrophobicContact CB-CB 4.19Å |
| 139 | Q | 94.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.2 | -16.7 | 175.7 | 64.5 | 175.7 | 20 | 0 | 0 | 113.4 | L135 W136 P143 T186 C189 Y190 | L135-Q139 PolarHBondContact O-N 2.76Å; W136-Q139 VanDerWaalsContact CE3-NE2 3.26Å; W136-Q139 WeakPolarHBondContact O-CG 3.39Å; Q139-P143 WeakPolarHBondContact O-CD 3.17Å; Q139-P143 VanDerWaalsContact O-CG 3.26Å; Q139-P143 WeakPolarHBondContact O-CG 3.48Å; Q139-T186 VanDerWaalsContact O-CG2 3.3Å; Q139-T186 WeakPolarHBondContact O-CG2 3.37Å; Q139-C189 HydrophobicContact CB-CB 4.19Å; Q139-Y190 VanDerWaalsContact OE1-CA 3.31Å |
| 140 | F | 93.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -102.8 | -41 | 178.9 | -177.7 | -87.3 | 0 | 0 | 0 | 112.7 | W81 L110 Q113 F114 R137 C138 P143 L144 | W81-F140 AromaticContact CD2-CE2 3.66Å; W81-F140 HydrophobicContact CD2-CE2 3.66Å; W81-F140 HydrophobicContact CD2-CZ 4.38Å; W81-F140 AromaticContact CE2-CE2 3.42Å; W81-F140 VanDerWaalsContact CE2-CE2 3.42Å; W81-F140 AromaticContact CE2-CZ 3.99Å; W81-F140 AromaticContact CE3-CE2 3.6Å; W81-F140 HydrophobicContact CE3-CE2 3.6Å; W81-F140 HydrophobicContact CE3-CZ 4.04Å; W81-F140 HydrophobicContact CH2-CE1 4.06Å; W81-F140 AromaticContact CH2-CE2 3.28Å; W81-F140 HydrophobicContact CH2-CE2 3.28Å; W81-F140 AromaticContact CH2-CZ 2.96Å; W81-F140 HydrophobicContact CH2-CZ 2.96Å; W81-F140 HydrophobicContact CZ2-CD2 4.27Å; W81-F140 HydrophobicContact CZ2-CE1 4.28Å; W81-F140 AromaticContact CZ2-CE2 3.23Å; W81-F140 HydrophobicContact CZ2-CE2 3.23Å; W81-F140 AromaticContact CZ2-CZ 3.29Å; W81-F140 HydrophobicContact CZ2-CZ 3.29Å; W81-F140 AromaticContact CZ3-CE2 3.41Å; W81-F140 HydrophobicContact CZ3-CE2 3.41Å; W81-F140 VanDerWaalsContact CZ3-CE2 3.41Å; W81-F140 AromaticContact CZ3-CZ 3.33Å; W81-F140 HydrophobicContact CZ3-CZ 3.33Å; L110-F140 HydrophobicContact CD1-CE1 3.94Å; L110-F140 HydrophobicContact CD1-CZ 4.12Å; L110-F140 HydrophobicContact CG-CE1 4.31Å; L110-F140 HydrophobicContact CG-CZ 4.38Å; Q113-F140 HydrophobicContact CB-CE2 4.38Å; Q113-F140 HydrophobicContact CG-CD2 4.28Å; Q113-F140 HydrophobicContact CG-CE2 3.94Å; Q113-F140 HydrophobicContact CG-CZ 4.44Å; F114-F140 AromaticContact CE2-CD1 3.75Å; F114-F140 HydrophobicContact CE2-CD1 3.75Å; F114-F140 AromaticContact CE2-CE1 3.83Å; F114-F140 HydrophobicContact CE2-CE1 3.83Å; F114-F140 HydrophobicContact CZ-CD1 4.23Å; R137-F140 PolarHBondContact O-N 2.8Å; R137-F140 VanDerWaalsContact O-N 3.14Å; C138-F140 PolarHBondContact O-N 3.34Å; F140-P143 VanDerWaalsContact O-CD 3.3Å; F140-P143 WeakPolarHBondContact O-CD 3.33Å; F140-P143 WeakPolarHBondContact O-CG 3.02Å; F140-L144 HydrophobicContact CD1-CD1 4.08Å; F140-L144 HydrophobicContact CE1-CD1 3.78Å; F140-L144 HydrophobicContact CZ-CD1 4.39Å; F140-L144 WeakPolarHBondContact O-CG 3.47Å |
| 141 | L | 96 | Very high | 96.4 | Very high | 77 Ų | 77 | 40 Ų | 40 | 40% | 0.403 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -73.7 | -41.7 | -179.5 | -75.7 | 175 | 0 | 0 | 0 | 113.7 | F114 R137 C138 L144 S145 | F114-L141 HydrophobicContact CE1-CD1 3.94Å; F114-L141 HydrophobicContact CE1-CD2 4.38Å; F114-L141 HydrophobicContact CE1-CG 4.19Å; F114-L141 HydrophobicContact CZ-CD1 3.96Å; F114-L141 HydrophobicContact CZ-CD2 3.67Å; F114-L141 HydrophobicContact CZ-CG 3.68Å; R137-L141 PolarHBondContact O-N 3.38Å; C138-L141 PolarHBondContact O-N 3.4Å; L141-L144 PolarHBondContact O-N 3Å; L141-S145 WeakPolarHBondContact O-CB 3.46Å; L141-S145 PolarHBondContact O-N 3.23Å; L141-S145 PolarHBondContact O-OG 2.91Å |
| 142 | L | 97.8 | Very high | 96.5 | Very high | 39 Ų | 39 | 38.9 Ų | 38.9 | 20% | 0.204 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.3 | -42.4 | -177.3 | -66.3 | 172.1 | 0 | 0 | 0 | 114.1 | C138 L144 S145 S146 C182 A185 T186 | C138-L142 HydrophobicContact CB-CD1 3.86Å; C138-L142 HydrophobicContact CB-CG 4.31Å; C138-L142 WeakPolarHBondContact O-CB 3.43Å; C138-L142 WeakPolarHBondContact O-CD1 3.46Å; C138-L142 WeakPolarHBondContact O-CG 3.03Å; C138-L142 PolarHBondContact O-N 2.92Å; L142-L144 VanDerWaalsContact C-N 3.34Å; L142-L144 PolarHBondContact O-N 3.35Å; L142-S145 PolarHBondContact O-N 2.77Å; L142-S146 WeakPolarHBondContact O-CB 3.48Å; L142-S146 PolarHBondContact O-N 3.42Å; L142-C182 HydrophobicContact CB-CB 4.44Å; L142-A185 HydrophobicContact CD1-CB 3.7Å; L142-T186 WeakPolarHBondContact CB-OG1 3.48Å |
| 143 | P | 96.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.4 | -33.3 | 178.2 | 27 | -32.9 | 0 | 0 | 0 | 112.1 | L24 I28 L80 Q139 F140 S146 L147 T186 | L24-P143 HydrophobicContact CD1-CB 4.22Å; I28-P143 HydrophobicContact CD1-CB 3.73Å; I28-P143 HydrophobicContact CG1-CB 3.9Å; I28-P143 HydrophobicContact CG1-CG 4.5Å; L80-P143 HydrophobicContact CD1-CG 4.06Å; Q139-P143 WeakPolarHBondContact O-CD 3.17Å; Q139-P143 VanDerWaalsContact O-CG 3.26Å; Q139-P143 WeakPolarHBondContact O-CG 3.48Å; F140-P143 VanDerWaalsContact O-CD 3.3Å; F140-P143 WeakPolarHBondContact O-CD 3.33Å; F140-P143 WeakPolarHBondContact O-CG 3.02Å; P143-S146 WeakPolarHBondContact O-CB 3.22Å; P143-S146 PolarHBondContact O-N 2.94Å; P143-L147 PolarHBondContact O-N 3.16Å; P143-T186 HydrophobicContact CB-CG2 4.01Å; P143-T186 WeakPolarHBondContact CD-OG1 3.46Å; P143-T186 HydrophobicContact CG-CG2 3.73Å |
| 144 | L | 96.4 | Very high | 96.7 | Very high | 69 Ų | 69 | 40.9 Ų | 40.9 | 36% | 0.361 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.3 | -40.9 | 173 | -63.2 | 177.4 | 0 | 0 | 0 | 111.5 | F140 L141 L142 S146 L147 G148 | F140-L144 HydrophobicContact CD1-CD1 4.08Å; F140-L144 HydrophobicContact CE1-CD1 3.78Å; F140-L144 HydrophobicContact CZ-CD1 4.39Å; F140-L144 WeakPolarHBondContact O-CG 3.47Å; L141-L144 PolarHBondContact O-N 3Å; L142-L144 VanDerWaalsContact C-N 3.34Å; L142-L144 PolarHBondContact O-N 3.35Å; L144-S146 VanDerWaalsContact C-N 3.32Å; L144-S146 PolarHBondContact O-N 3.09Å; L144-L147 PolarHBondContact O-N 2.89Å; L144-G148 PolarHBondContact O-N 2.85Å |
| 145 | S | 98 | Very high | 96.8 | Very high | 58 Ų | 58 | 39.8 Ų | 39.8 | 41% | 0.406 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.7 | -42 | 174.1 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | L141 L142 G148 L149 | L141-S145 WeakPolarHBondContact O-CB 3.46Å; L141-S145 PolarHBondContact O-N 3.23Å; L141-S145 PolarHBondContact O-OG 2.91Å; L142-S145 PolarHBondContact O-N 2.77Å; S145-G148 PolarHBondContact O-N 2.9Å; S145-L149 VanDerWaalsContact O-CG 3.27Å; S145-L149 WeakPolarHBondContact O-CG 3.08Å; S145-L149 PolarHBondContact O-N 2.9Å |
| 146 | S | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.6 | -51.2 | 174.5 | -179.6 | 0 | 0 | 0 | 0 | 112 | L24 L142 P143 L144 G148 L149 V150 A179 T183 | L24-S146 WeakPolarHBondContact CD2-OG 3.36Å; L142-S146 WeakPolarHBondContact O-CB 3.48Å; L142-S146 PolarHBondContact O-N 3.42Å; P143-S146 WeakPolarHBondContact O-CB 3.22Å; P143-S146 PolarHBondContact O-N 2.94Å; L144-S146 VanDerWaalsContact C-N 3.32Å; L144-S146 PolarHBondContact O-N 3.09Å; S146-G148 VanDerWaalsContact C-N 3.33Å; S146-G148 PolarHBondContact O-N 3.45Å; S146-L149 PolarHBondContact O-N 2.78Å; S146-V150 WeakPolarHBondContact O-CG2 3.44Å; S146-V150 PolarHBondContact O-N 3.21Å; S146-A179 PolarHBondContact OG-O 2.8Å; S146-T183 WeakPolarHBondContact CB-OG1 3.13Å; S146-T183 PolarHBondContact OG-OG1 2.99Å |
| 147 | L | 98.1 | Very high | 96.8 | Very high | 38 Ų | 38 | 41.9 Ų | 41.9 | 20% | 0.199 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59 | -43.2 | 176.2 | -71.1 | 178.3 | 0 | 0 | 0 | 112.1 | T21 L24 I28 P143 L144 L149 V150 V151 | T21-L147 HydrophobicContact CG2-CD2 4.04Å; L24-L147 HydrophobicContact CD2-CD2 3.98Å; L24-L147 HydrophobicContact CD2-CG 4.14Å; L24-L147 HydrophobicContact CG-CD2 4.19Å; L24-L147 HydrophobicContact CG-CG 4.44Å; I28-L147 HydrophobicContact CD1-CD1 3.55Å; I28-L147 HydrophobicContact CD1-CG 4.13Å; P143-L147 PolarHBondContact O-N 3.16Å; L144-L147 PolarHBondContact O-N 2.89Å; L147-L149 PolarHBondContact O-N 3.47Å; L147-V150 PolarHBondContact O-N 3.33Å; L147-V151 WeakPolarHBondContact O-CG2 3.02Å; L147-V151 PolarHBondContact O-N 3.34Å |
| 148 | G | 98.4 | Very high | 96.7 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 42% | 0.423 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | L144 S145 S146 V150 V151 L152 | L144-G148 PolarHBondContact O-N 2.85Å; S145-G148 PolarHBondContact O-N 2.9Å; S146-G148 VanDerWaalsContact C-N 3.33Å; S146-G148 PolarHBondContact O-N 3.45Å; G148-V150 PolarHBondContact O-N 2.7Å; G148-V151 PolarHBondContact O-N 3.38Å; G148-L152 WeakPolarHBondContact O-CB 3.46Å; G148-L152 PolarHBondContact O-N 3.43Å |
| 149 | L | 98.6 | Very high | 96.6 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 20% | 0.204 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 176.4 | -71.4 | 168.6 | 0 | 0 | 0 | 112 | S145 S146 L147 L152 A153 L175 L178 A179 | S145-L149 VanDerWaalsContact O-CG 3.27Å; S145-L149 WeakPolarHBondContact O-CG 3.08Å; S145-L149 PolarHBondContact O-N 2.9Å; S146-L149 PolarHBondContact O-N 2.78Å; L147-L149 PolarHBondContact O-N 3.47Å; L149-L152 PolarHBondContact O-N 3.17Å; L149-A153 WeakPolarHBondContact O-CB 3.47Å; L149-A153 PolarHBondContact O-N 2.98Å; L149-L175 HydrophobicContact CD2-CD2 3.76Å; L149-L178 HydrophobicContact CD1-CB 3.81Å; L149-A179 HydrophobicContact CB-CB 4.14Å; L149-A179 HydrophobicContact CD1-CB 4.47Å |
| 150 | V | 98.1 | Very high | 96.4 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 7% | 0.067 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.7 | -41.3 | 178.7 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | T21 S146 L147 G148 L152 A153 G154 A179 H225 | T21-V150 WeakPolarHBondContact OG1-CG1 3.32Å; S146-V150 WeakPolarHBondContact O-CG2 3.44Å; S146-V150 PolarHBondContact O-N 3.21Å; L147-V150 PolarHBondContact O-N 3.33Å; G148-V150 PolarHBondContact O-N 2.7Å; V150-L152 VanDerWaalsContact C-N 3.35Å; V150-L152 PolarHBondContact O-N 2.98Å; V150-A153 WeakPolarHBondContact O-CB 3.2Å; V150-A153 PolarHBondContact O-N 3.09Å; V150-G154 PolarHBondContact O-N 2.93Å; V150-A179 HydrophobicContact CG2-CB 3.61Å; V150-H225 WeakPolarHBondContact CG2-CE1 3.4Å |
| 151 | V | 98.2 | Very high | 96.3 | Very high | 91 Ų | 91 | 51.6 Ų | 51.6 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60 | -46.8 | 174.1 | 169.9 | 0 | 0 | 0 | 0 | 110.5 | L147 G148 A153 G154 L155 | L147-V151 WeakPolarHBondContact O-CG2 3.02Å; L147-V151 PolarHBondContact O-N 3.34Å; G148-V151 PolarHBondContact O-N 3.38Å; V151-A153 VanDerWaalsContact C-N 3.32Å; V151-A153 PolarHBondContact O-N 3.3Å; V151-G154 PolarHBondContact O-N 2.88Å; V151-L155 HydrophobicContact CG1-CD1 4.23Å; V151-L155 WeakPolarHBondContact O-CG 3.27Å; V151-L155 PolarHBondContact O-N 3.49Å |
| 152 | L | 98.2 | Very high | 96.1 | Very high | 84 Ų | 84 | 53.8 Ų | 53.8 | 44% | 0.44 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.9 | -44 | 175.6 | 179.6 | 61.3 | 0 | 0 | 0 | 111.6 | G148 L149 V150 G154 L155 I156 L175 | G148-L152 WeakPolarHBondContact O-CB 3.46Å; G148-L152 PolarHBondContact O-N 3.43Å; L149-L152 PolarHBondContact O-N 3.17Å; V150-L152 VanDerWaalsContact C-N 3.35Å; V150-L152 PolarHBondContact O-N 2.98Å; L152-G154 VanDerWaalsContact C-N 3.33Å; L152-G154 PolarHBondContact O-N 2.86Å; L152-L155 PolarHBondContact O-N 3.42Å; L152-I156 HydrophobicContact CD1-CD1 4.1Å; L152-I156 HydrophobicContact CD1-CG1 4.38Å; L152-I156 HydrophobicContact CG-CD1 3.96Å; L152-I156 VanDerWaalsContact O-CG1 3.28Å; L152-I156 WeakPolarHBondContact O-CG1 3.18Å; L152-I156 PolarHBondContact O-N 3.46Å; L152-L175 HydrophobicContact CD2-CD1 4.3Å; L152-L175 HydrophobicContact CD2-CD2 4.26Å; L152-L175 HydrophobicContact CG-CD1 4.14Å |
| 153 | A | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L149 V150 V151 I156 G157 I172 L175 | L149-A153 WeakPolarHBondContact O-CB 3.47Å; L149-A153 PolarHBondContact O-N 2.98Å; V150-A153 WeakPolarHBondContact O-CB 3.2Å; V150-A153 PolarHBondContact O-N 3.09Å; V151-A153 VanDerWaalsContact C-N 3.32Å; V151-A153 PolarHBondContact O-N 3.3Å; A153-I156 PolarHBondContact O-N 3.5Å; A153-G157 PolarHBondContact O-N 2.65Å; A153-I172 HydrophobicContact CB-CG2 4.05Å; A153-L175 HydrophobicContact CB-CB 3.83Å; A153-L175 HydrophobicContact CB-CD1 3.83Å |
| 154 | G | 96.1 | Very high | 95.3 | Very high | 44 Ų | 44 | 67.8 Ų | 67.8 | 45% | 0.454 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | V150 V151 L152 G157 F158 | V150-G154 PolarHBondContact O-N 2.93Å; V151-G154 PolarHBondContact O-N 2.88Å; L152-G154 VanDerWaalsContact C-N 3.33Å; L152-G154 PolarHBondContact O-N 2.86Å; G154-G157 PolarHBondContact O-N 2.94Å; G154-F158 WeakPolarHBondContact O-CB 3.24Å; G154-F158 PolarHBondContact O-N 2.03Å |
| 155 | L | 97.1 | Very high | 94.7 | Very high | 105 Ų | 105 | 66.5 Ų | 66.5 | 55% | 0.55 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63 | -45 | 176.3 | -70.4 | 173.3 | 0 | 0 | 0 | 111.9 | V151 L152 G157 F158 C159 | V151-L155 HydrophobicContact CG1-CD1 4.23Å; V151-L155 WeakPolarHBondContact O-CG 3.27Å; V151-L155 PolarHBondContact O-N 3.49Å; L152-L155 PolarHBondContact O-N 3.42Å; L155-G157 VanDerWaalsContact C-N 3.32Å; L155-G157 PolarHBondContact O-N 3.26Å; L155-F158 PolarHBondContact O-N 3.42Å; L155-C159 PolarHBondContact O-N 3.15Å; L155-C159 PolarHBondContact O-SG 3.39Å |
| 156 | I | 96.3 | Very high | 93.9 | Very high | 59 Ų | 59 | 66.8 Ų | 66.8 | 30% | 0.303 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 175.5 | -66.6 | 166.4 | 0 | 0 | 0 | 110 | L152 A153 C159 A160 P168 I172 L175 | L152-I156 HydrophobicContact CD1-CD1 4.1Å; L152-I156 HydrophobicContact CD1-CG1 4.38Å; L152-I156 HydrophobicContact CG-CD1 3.96Å; L152-I156 VanDerWaalsContact O-CG1 3.28Å; L152-I156 WeakPolarHBondContact O-CG1 3.18Å; L152-I156 PolarHBondContact O-N 3.46Å; A153-I156 PolarHBondContact O-N 3.5Å; I156-C159 PolarHBondContact O-N 3.47Å; I156-A160 VanDerWaalsContact O-CB 3.31Å; I156-A160 WeakPolarHBondContact O-CB 3.48Å; I156-A160 PolarHBondContact O-N 2.81Å; I156-P168 HydrophobicContact CG2-CB 3.61Å; I156-P168 HydrophobicContact CG2-CG 4.21Å; I156-I172 HydrophobicContact CB-CG1 4.26Å; I156-I172 HydrophobicContact CG2-CD1 4.1Å; I156-I172 HydrophobicContact CG2-CG1 3.8Å; I156-L175 HydrophobicContact CD1-CD1 3.73Å |
| 157 | G | 93.9 | Very high | 93.3 | Very high | 19 Ų | 19 | 72.7 Ų | 72.7 | 20% | 0.196 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A153 G154 L155 A160 C161 | A153-G157 PolarHBondContact O-N 2.65Å; G154-G157 PolarHBondContact O-N 2.94Å; L155-G157 VanDerWaalsContact C-N 3.32Å; L155-G157 PolarHBondContact O-N 3.26Å; G157-A160 WeakPolarHBondContact O-CB 3.29Å; G157-A160 PolarHBondContact O-N 2.91Å; G157-C161 PolarHBondContact O-N 3.26Å; G157-C161 PolarHBondContact O-SG 2.78Å |
| 158 | F | 94 | Very high | 93 | Very high | 131 Ų | 131 | 72.7 Ų | 72.7 | 58% | 0.575 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.2 | -46.6 | 176.5 | -179.6 | -103.4 | 0 | 0 | 0 | 112 | G154 L155 A160 C161 L162 | G154-F158 WeakPolarHBondContact O-CB 3.24Å; G154-F158 PolarHBondContact O-N 2.03Å; L155-F158 PolarHBondContact O-N 3.42Å; F158-A160 VanDerWaalsContact C-N 3.3Å; F158-A160 PolarHBondContact O-N 3.28Å; F158-C161 WeakPolarHBondContact O-CB 3.19Å; F158-C161 PolarHBondContact O-N 3.07Å; F158-L162 HydrophobicContact CD1-CD1 4.04Å; F158-L162 HydrophobicContact CE1-CD1 3.52Å; F158-L162 HydrophobicContact CE1-CG 4.2Å; F158-L162 HydrophobicContact CZ-CD1 3.98Å; F158-L162 HydrophobicContact CZ-CD2 4.38Å; F158-L162 HydrophobicContact CZ-CG 4.3Å; F158-L162 PolarHBondContact O-N 3.26Å |
| 159 | C | 93.5 | Very high | 92.7 | Very high | 68 Ų | 68 | 71.3 Ų | 71.3 | 46% | 0.459 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | 175.1 | -65.1 | 0 | 0 | 0 | 0 | 111.7 | L155 I156 C161 L162 C163 | L155-C159 PolarHBondContact O-N 3.15Å; L155-C159 PolarHBondContact O-SG 3.39Å; I156-C159 PolarHBondContact O-N 3.47Å; C159-C161 VanDerWaalsContact C-N 3.33Å; C159-C161 PolarHBondContact O-N 2.89Å; C159-L162 PolarHBondContact O-N 3.22Å; C159-C163 WeakPolarHBondContact O-CB 3.44Å; C159-C163 PolarHBondContact O-N 3.46Å; C159-C163 PolarHBondContact O-SG 3.27Å; C159-C163 VanDerWaalsContact O-SG 3.37Å |
| 160 | A | 91 | Very high | 92.5 | Very high | 12 Ų | 12 | 73.2 Ų | 73.2 | 10% | 0.099 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I156 G157 F158 C163 R164 S165 P168 | I156-A160 VanDerWaalsContact O-CB 3.31Å; I156-A160 WeakPolarHBondContact O-CB 3.48Å; I156-A160 PolarHBondContact O-N 2.81Å; G157-A160 WeakPolarHBondContact O-CB 3.29Å; G157-A160 PolarHBondContact O-N 2.91Å; F158-A160 VanDerWaalsContact C-N 3.3Å; F158-A160 PolarHBondContact O-N 3.28Å; A160-C163 CarbonylContact O-C 3.09Å; A160-C163 PolarHBondContact O-N 3.19Å; A160-R164 PolarHBondContact O-N 2.95Å; A160-S165 WeakPolarHBondContact CB-O 3.3Å; A160-S165 PolarHBondContact O-N 2.84Å; A160-P168 HydrophobicContact CB-CG 3.36Å |
| 161 | C | 89.5 | Confident | 92.4 | Very high | 98 Ų | 98 | 74.5 Ų | 74.5 | 66% | 0.662 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.9 | -45.1 | 174.9 | -69.2 | 0 | 0 | 0 | 0 | 112.1 | G157 F158 C159 C163 R164 | G157-C161 PolarHBondContact O-N 3.26Å; G157-C161 PolarHBondContact O-SG 2.78Å; F158-C161 WeakPolarHBondContact O-CB 3.19Å; F158-C161 PolarHBondContact O-N 3.07Å; C159-C161 VanDerWaalsContact C-N 3.33Å; C159-C161 PolarHBondContact O-N 2.89Å; C161-C163 VanDerWaalsContact C-N 3.33Å; C161-C163 PolarHBondContact O-N 3.42Å; C161-R164 PolarHBondContact O-N 3.46Å; C161-R164 VanDerWaalsContact O-N 3.12Å |
| 162 | L | 92.2 | Very high | 92.4 | Very high | 123 Ų | 123 | 71 Ų | 71 | 64% | 0.644 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.9 | -42.2 | 176.2 | -68 | 178.8 | 0 | 0 | 0 | 111.9 | F158 C159 R164 | F158-L162 HydrophobicContact CD1-CD1 4.04Å; F158-L162 HydrophobicContact CE1-CD1 3.52Å; F158-L162 HydrophobicContact CE1-CG 4.2Å; F158-L162 HydrophobicContact CZ-CD1 3.98Å; F158-L162 HydrophobicContact CZ-CD2 4.38Å; F158-L162 HydrophobicContact CZ-CG 4.3Å; F158-L162 PolarHBondContact O-N 3.26Å; C159-L162 PolarHBondContact O-N 3.22Å; L162-R164 PolarHBondContact O-N 3.23Å |
| 163 | C | 91.3 | Very high | 92.3 | Very high | 99 Ų | 99 | 67 Ų | 67 | 67% | 0.669 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 0 | 177.7 | -64.2 | 0 | 0 | 0 | 0 | 113.8 | C159 A160 C161 S165 | C159-C163 WeakPolarHBondContact O-CB 3.44Å; C159-C163 PolarHBondContact O-N 3.46Å; C159-C163 PolarHBondContact O-SG 3.27Å; C159-C163 VanDerWaalsContact O-SG 3.37Å; A160-C163 CarbonylContact O-C 3.09Å; A160-C163 PolarHBondContact O-N 3.19Å; C161-C163 VanDerWaalsContact C-N 3.33Å; C161-C163 PolarHBondContact O-N 3.42Å; C163-S165 PolarHBondContact O-N 2.84Å |
| 164 | R | 86.6 | Confident | 92.3 | Very high | 235 Ų | 235 | 70.2 Ų | 70.2 | 89% | 0.887 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 37.6 | -175 | -58.1 | -178.4 | 178.8 | 175.7 | -0.3 | 113.3 | A160 C161 L162 | A160-R164 PolarHBondContact O-N 2.95Å; C161-R164 PolarHBondContact O-N 3.46Å; C161-R164 VanDerWaalsContact O-N 3.12Å; L162-R164 PolarHBondContact O-N 3.23Å |
| 165 | S | 84.8 | Confident | 92.5 | Very high | 41 Ų | 41 | 69.3 Ų | 69.3 | 29% | 0.287 | 39% | 0.39 | S | S | . | . | trans | -113 | 134.4 | -176.1 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | A160 C163 T167 | A160-S165 WeakPolarHBondContact CB-O 3.3Å; A160-S165 PolarHBondContact O-N 2.84Å; C163-S165 PolarHBondContact O-N 2.84Å; S165-T167 PolarHBondContact OG-N 2.89Å; S165-T167 PolarHBondContact OG-OG1 3.41Å; S165-T167 VanDerWaalsContact OG-OG1 3.07Å | ||
| 166 | L | 81.1 | Confident | 92.5 | Very high | 65 Ų | 65 | 64.8 Ų | 64.8 | 34% | 0.34 | 37% | 0.366 | S | S | . | . | trans | -98 | -2.6 | 173.7 | -69.5 | 170.5 | 0 | 0 | 0 | 112.7 | L10 P168 T169 | L10-L166 HydrophobicContact CD1-CD2 4Å; L166-P168 VanDerWaalsContact C-CD 3.41Å; L166-T169 WeakPolarHBondContact O-CB 3.45Å; L166-T169 PolarHBondContact O-N 3.12Å; L166-T169 PolarHBondContact O-OG1 3.33Å | ||
| 167 | T | 84.6 | Confident | 92.6 | Very high | 123 Ų | 123 | 65.5 Ų | 65.5 | 76% | 0.755 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -41.2 | -177.8 | -46 | 0 | 0 | 0 | 0 | 114.3 | S165 T169 | S165-T167 PolarHBondContact OG-N 2.89Å; S165-T167 PolarHBondContact OG-OG1 3.41Å; S165-T167 VanDerWaalsContact OG-OG1 3.07Å; T167-T169 PolarHBondContact O-N 3.06Å |
| 168 | P | 92.1 | Very high | 92.9 | Very high | 39 Ų | 39 | 68.3 Ų | 68.3 | 25% | 0.253 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -3.3 | -176.1 | 30.7 | -33.6 | 0 | 0 | 0 | 114.1 | I156 A160 L166 L170 G171 I172 | I156-P168 HydrophobicContact CG2-CB 3.61Å; I156-P168 HydrophobicContact CG2-CG 4.21Å; A160-P168 HydrophobicContact CB-CG 3.36Å; L166-P168 VanDerWaalsContact C-CD 3.41Å; P168-L170 PolarHBondContact O-N 3.14Å; P168-L170 VanDerWaalsContact O-N 3.14Å; P168-G171 WeakPolarHBondContact O-CA 3.44Å; P168-G171 PolarHBondContact O-N 3.44Å; P168-I172 WeakPolarHBondContact O-CG1 3.37Å; P168-I172 PolarHBondContact O-N 2.79Å |
| 169 | T | 92.7 | Very high | 93.1 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -54.5 | -37.8 | -174.6 | -51.2 | 0 | 0 | 0 | 0 | 112.9 | L10 L166 T167 I172 G173 L232 A236 | L10-T169 HydrophobicContact CD2-CG2 4.01Å; L166-T169 WeakPolarHBondContact O-CB 3.45Å; L166-T169 PolarHBondContact O-N 3.12Å; L166-T169 PolarHBondContact O-OG1 3.33Å; T167-T169 PolarHBondContact O-N 3.06Å; T169-I172 PolarHBondContact O-N 3.35Å; T169-G173 PolarHBondContact O-N 3.21Å; T169-L232 HydrophobicContact CG2-CB 4.29Å; T169-L232 HydrophobicContact CG2-CD2 3.88Å; T169-L232 WeakPolarHBondContact CG2-O 3.44Å; T169-A236 HydrophobicContact CG2-CB 4.16Å |
| 170 | L | 94.1 | Very high | 93.3 | Very high | 80 Ų | 80 | 58.9 Ų | 58.9 | 42% | 0.419 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 176 | -178.4 | 65.5 | 0 | 0 | 0 | 111.7 | P168 G173 V174 V233 A236 | P168-L170 PolarHBondContact O-N 3.14Å; P168-L170 VanDerWaalsContact O-N 3.14Å; L170-G173 PolarHBondContact O-N 2.68Å; L170-V174 WeakPolarHBondContact O-CG2 3.29Å; L170-V174 PolarHBondContact O-N 3.29Å; L170-V233 HydrophobicContact CD1-CB 4.44Å; L170-V233 HydrophobicContact CD1-CG1 4.05Å; L170-V233 HydrophobicContact CD1-CG2 4.18Å; L170-A236 HydrophobicContact CB-CB 3.87Å |
| 171 | G | 95.7 | Very high | 93.7 | Very high | 38 Ų | 38 | 62.1 Ų | 62.1 | 39% | 0.392 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P168 G173 V174 L175 | P168-G171 WeakPolarHBondContact O-CA 3.44Å; P168-G171 PolarHBondContact O-N 3.44Å; G171-G173 VanDerWaalsContact C-N 3.28Å; G171-G173 PolarHBondContact O-N 2.89Å; G171-V174 PolarHBondContact O-N 2.92Å; G171-L175 WeakPolarHBondContact O-CG 3.41Å; G171-L175 PolarHBondContact O-N 2.83Å |
| 172 | I | 97.1 | Very high | 94.1 | Very high | 16 Ų | 16 | 58.7 Ų | 58.7 | 8% | 0.082 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.1 | -43.3 | 173.8 | -60.4 | 170.6 | 0 | 0 | 0 | 110.1 | A153 I156 P168 T169 L175 H176 L232 | A153-I172 HydrophobicContact CB-CG2 4.05Å; I156-I172 HydrophobicContact CB-CG1 4.26Å; I156-I172 HydrophobicContact CG2-CD1 4.1Å; I156-I172 HydrophobicContact CG2-CG1 3.8Å; P168-I172 WeakPolarHBondContact O-CG1 3.37Å; P168-I172 PolarHBondContact O-N 2.79Å; T169-I172 PolarHBondContact O-N 3.35Å; I172-L175 PolarHBondContact O-N 3.14Å; I172-H176 PolarHBondContact O-N 3.29Å; I172-H176 VanDerWaalsContact O-N 3.1Å; I172-H176 PolarHBondContact O-ND1 3.04Å; I172-L232 HydrophobicContact CG2-CD1 3.79Å |
| 173 | G | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T169 L170 G171 L175 H176 L177 A229 | T169-G173 PolarHBondContact O-N 3.21Å; L170-G173 PolarHBondContact O-N 2.68Å; G171-G173 VanDerWaalsContact C-N 3.28Å; G171-G173 PolarHBondContact O-N 2.89Å; G173-L175 PolarHBondContact O-N 3.36Å; G173-H176 PolarHBondContact O-N 2.95Å; G173-L177 PolarHBondContact O-N 2.98Å; G173-A229 WeakPolarHBondContact O-CB 3.37Å |
| 174 | V | 98.2 | Very high | 94.7 | Very high | 68 Ų | 68 | 51.3 Ų | 51.3 | 41% | 0.412 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62 | -42 | 176.4 | 173 | 0 | 0 | 0 | 0 | 111.6 | L170 G171 H176 L177 L178 | L170-V174 WeakPolarHBondContact O-CG2 3.29Å; L170-V174 PolarHBondContact O-N 3.29Å; G171-V174 PolarHBondContact O-N 2.92Å; V174-H176 VanDerWaalsContact C-N 3.33Å; V174-H176 PolarHBondContact O-N 2.76Å; V174-L177 WeakPolarHBondContact O-CB 3.19Å; V174-L177 PolarHBondContact O-N 3.42Å; V174-L178 HydrophobicContact CG1-CD1 4.19Å; V174-L178 HydrophobicContact CG1-CG 4.47Å; V174-L178 WeakPolarHBondContact O-CG 3.47Å; V174-L178 PolarHBondContact O-N 3.37Å |
| 175 | L | 98.4 | Very high | 95.3 | Very high | 25 Ų | 25 | 41.9 Ų | 41.9 | 13% | 0.131 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.6 | -41.8 | 176.5 | -68.6 | 172.7 | 0 | 0 | 0 | 111.9 | L149 L152 A153 I156 G171 I172 G173 L178 A179 | L149-L175 HydrophobicContact CD2-CD2 3.76Å; L152-L175 HydrophobicContact CD2-CD1 4.3Å; L152-L175 HydrophobicContact CD2-CD2 4.26Å; L152-L175 HydrophobicContact CG-CD1 4.14Å; A153-L175 HydrophobicContact CB-CB 3.83Å; A153-L175 HydrophobicContact CB-CD1 3.83Å; I156-L175 HydrophobicContact CD1-CD1 3.73Å; G171-L175 WeakPolarHBondContact O-CG 3.41Å; G171-L175 PolarHBondContact O-N 2.83Å; I172-L175 PolarHBondContact O-N 3.14Å; G173-L175 PolarHBondContact O-N 3.36Å; L175-L178 PolarHBondContact O-N 2.9Å; L175-A179 WeakPolarHBondContact O-CB 3.38Å; L175-A179 PolarHBondContact O-N 2.64Å |
| 176 | H | 98.4 | Very high | 95.9 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 5% | 0.051 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.9 | -37 | 175.4 | -76.4 | 76.9 | 0 | 0 | 0 | 112.6 | S17 I172 G173 V174 A179 G180 H225 A229 | S17-H176 VanDerWaalsContact CB-NE2 3.34Å; S17-H176 WeakPolarHBondContact CB-NE2 3.34Å; S17-H176 PolarHBondContact OG-CD2 2.94Å; S17-H176 PolarHBondContact OG-NE2 3Å; I172-H176 PolarHBondContact O-N 3.29Å; I172-H176 VanDerWaalsContact O-N 3.1Å; I172-H176 PolarHBondContact O-ND1 3.04Å; G173-H176 PolarHBondContact O-N 2.95Å; V174-H176 VanDerWaalsContact C-N 3.33Å; V174-H176 PolarHBondContact O-N 2.76Å; H176-A179 PolarHBondContact O-N 2.91Å; H176-G180 PolarHBondContact O-N 3.48Å; H176-H225 AromaticContact CD2-ND1 3.92Å; H176-A229 HydrophobicContact CB-CB 3.79Å |
| 177 | L | 98.6 | Very high | 96.7 | Very high | 73 Ų | 73 | 37 Ų | 37 | 38% | 0.382 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.9 | -47.2 | 175.7 | 178.8 | 62.2 | 0 | 0 | 0 | 110.7 | G173 V174 A179 G180 L181 M226 A229 | G173-L177 PolarHBondContact O-N 2.98Å; V174-L177 WeakPolarHBondContact O-CB 3.19Å; V174-L177 PolarHBondContact O-N 3.42Å; L177-A179 VanDerWaalsContact C-N 3.34Å; L177-A179 PolarHBondContact O-N 3.28Å; L177-G180 PolarHBondContact O-N 3.41Å; L177-L181 HydrophobicContact CG-CD1 4.37Å; L177-L181 WeakPolarHBondContact O-CG 3.49Å; L177-L181 PolarHBondContact O-N 3.13Å; L177-M226 HydrophobicContact CD1-CE 3.93Å; L177-M226 HydrophobicContact CD1-CG 4.26Å; L177-A229 HydrophobicContact CB-CB 3.86Å |
| 178 | L | 98.6 | Very high | 97.4 | Very high | 79 Ų | 79 | 34.7 Ų | 34.7 | 41% | 0.414 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63 | -39.8 | 177.4 | -68.3 | 174.9 | 0 | 0 | 0 | 111.8 | L149 V174 L175 L181 C182 | L149-L178 HydrophobicContact CD1-CB 3.81Å; V174-L178 HydrophobicContact CG1-CD1 4.19Å; V174-L178 HydrophobicContact CG1-CG 4.47Å; V174-L178 WeakPolarHBondContact O-CG 3.47Å; V174-L178 PolarHBondContact O-N 3.37Å; L175-L178 PolarHBondContact O-N 2.9Å; L178-L181 PolarHBondContact O-N 2.9Å; L178-C182 WeakPolarHBondContact O-CB 3.12Å; L178-C182 PolarHBondContact O-N 2.82Å; L178-C182 PolarHBondContact O-SG 2.79Å |
| 179 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.8 | -46.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | S146 L149 V150 L175 H176 L177 L181 C182 T183 | S146-A179 PolarHBondContact OG-O 2.8Å; L149-A179 HydrophobicContact CB-CB 4.14Å; L149-A179 HydrophobicContact CD1-CB 4.47Å; V150-A179 HydrophobicContact CG2-CB 3.61Å; L175-A179 WeakPolarHBondContact O-CB 3.38Å; L175-A179 PolarHBondContact O-N 2.64Å; H176-A179 PolarHBondContact O-N 2.91Å; L177-A179 VanDerWaalsContact C-N 3.34Å; L177-A179 PolarHBondContact O-N 3.28Å; A179-L181 PolarHBondContact O-N 3.32Å; A179-C182 PolarHBondContact O-N 2.89Å; A179-T183 PolarHBondContact O-N 2.78Å; A179-T183 PolarHBondContact O-OG1 3.05Å |
| 180 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.2 | -48.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H176 L177 C182 T183 L184 S222 | H176-G180 PolarHBondContact O-N 3.48Å; L177-G180 PolarHBondContact O-N 3.41Å; G180-C182 PolarHBondContact O-N 3.35Å; G180-T183 PolarHBondContact O-N 2.9Å; G180-T183 VanDerWaalsContact O-N 3.17Å; G180-L184 PolarHBondContact O-N 2.88Å; G180-S222 PolarHBondContact O-OG 2.97Å; G180-S222 VanDerWaalsContact O-OG 3.09Å |
| 181 | L | 98.6 | Very high | 98 | Very high | 80 Ų | 80 | 32.7 Ų | 32.7 | 42% | 0.419 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.8 | -42.6 | 177.5 | -69.4 | 174 | 0 | 0 | 0 | 113 | L177 L178 A179 T183 L184 A185 M226 | L177-L181 HydrophobicContact CG-CD1 4.37Å; L177-L181 WeakPolarHBondContact O-CG 3.49Å; L177-L181 PolarHBondContact O-N 3.13Å; L178-L181 PolarHBondContact O-N 2.9Å; A179-L181 PolarHBondContact O-N 3.32Å; L181-T183 VanDerWaalsContact C-N 3.28Å; L181-T183 PolarHBondContact O-N 3.09Å; L181-L184 PolarHBondContact O-N 2.86Å; L181-A185 VanDerWaalsContact O-CB 3.27Å; L181-A185 WeakPolarHBondContact O-CB 3.4Å; L181-A185 PolarHBondContact O-N 2.84Å; L181-M226 HydrophobicContact CD2-CE 4.25Å |
| 182 | C | 98.6 | Very high | 98.1 | Very high | 26 Ų | 26 | 32.8 Ų | 32.8 | 18% | 0.176 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 175 | -69.1 | 0 | 0 | 0 | 0 | 110.9 | L142 L178 A179 G180 A185 T186 | L142-C182 HydrophobicContact CB-CB 4.44Å; L178-C182 WeakPolarHBondContact O-CB 3.12Å; L178-C182 PolarHBondContact O-N 2.82Å; L178-C182 PolarHBondContact O-SG 2.79Å; A179-C182 PolarHBondContact O-N 2.89Å; G180-C182 PolarHBondContact O-N 3.35Å; C182-A185 PolarHBondContact O-N 2.95Å; C182-T186 PolarHBondContact O-N 3.38Å; C182-T186 PolarHBondContact O-OG1 3.41Å |
| 183 | T | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.1 | -41.6 | 179.7 | -49.6 | 0 | 0 | 0 | 0 | 112 | L24 S146 A179 G180 L181 T186 V187 A218 S221 | L24-T183 HydrophobicContact CD1-CG2 3.71Å; L24-T183 HydrophobicContact CD2-CG2 4.26Å; S146-T183 WeakPolarHBondContact CB-OG1 3.13Å; S146-T183 PolarHBondContact OG-OG1 2.99Å; A179-T183 PolarHBondContact O-N 2.78Å; A179-T183 PolarHBondContact O-OG1 3.05Å; G180-T183 PolarHBondContact O-N 2.9Å; G180-T183 VanDerWaalsContact O-N 3.17Å; L181-T183 VanDerWaalsContact C-N 3.28Å; L181-T183 PolarHBondContact O-N 3.09Å; T183-T186 VanDerWaalsContact O-CB 3.24Å; T183-T186 WeakPolarHBondContact O-CB 3.23Å; T183-T186 PolarHBondContact O-N 2.83Å; T183-V187 PolarHBondContact O-N 2.93Å; T183-A218 WeakPolarHBondContact CG2-O 3.43Å; T183-S221 VanDerWaalsContact CG2-OG 3.27Å; T183-S221 WeakPolarHBondContact CG2-OG 3.46Å |
| 184 | L | 98.4 | Very high | 97.8 | Very high | 68 Ų | 68 | 32.2 Ų | 32.2 | 36% | 0.356 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.9 | -47.8 | 173.3 | -176.9 | 60.3 | 0 | 0 | 0 | 111.4 | G180 L181 T186 V187 C188 L219 | G180-L184 PolarHBondContact O-N 2.88Å; L181-L184 PolarHBondContact O-N 2.86Å; L184-T186 PolarHBondContact O-N 3.07Å; L184-V187 PolarHBondContact O-N 2.9Å; L184-V187 VanDerWaalsContact O-N 3.13Å; L184-C188 PolarHBondContact O-N 3.21Å; L184-C188 PolarHBondContact O-SG 3.28Å; L184-C188 VanDerWaalsContact O-SG 3.35Å; L184-L219 HydrophobicContact CD1-CD1 4.35Å |
| 185 | A | 98.4 | Very high | 97.6 | Very high | 36 Ų | 36 | 32.4 Ų | 32.4 | 30% | 0.298 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61 | -34.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L142 L181 C182 C188 C189 | L142-A185 HydrophobicContact CD1-CB 3.7Å; L181-A185 VanDerWaalsContact O-CB 3.27Å; L181-A185 WeakPolarHBondContact O-CB 3.4Å; L181-A185 PolarHBondContact O-N 2.84Å; C182-A185 PolarHBondContact O-N 2.95Å; A185-C188 PolarHBondContact O-N 3.44Å; A185-C189 WeakPolarHBondContact O-CB 3.36Å; A185-C189 PolarHBondContact O-N 3.28Å; A185-C189 PolarHBondContact O-SG 2.94Å |
| 186 | T | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.5 | -52.8 | 171.8 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | W33 Q139 L142 P143 C182 T183 L184 C188 C189 Y190 | W33-T186 HydrophobicContact CH2-CG2 3.84Å; W33-T186 HydrophobicContact CZ3-CG2 4.13Å; Q139-T186 VanDerWaalsContact O-CG2 3.3Å; Q139-T186 WeakPolarHBondContact O-CG2 3.37Å; L142-T186 WeakPolarHBondContact CB-OG1 3.48Å; P143-T186 HydrophobicContact CB-CG2 4.01Å; P143-T186 WeakPolarHBondContact CD-OG1 3.46Å; P143-T186 HydrophobicContact CG-CG2 3.73Å; C182-T186 PolarHBondContact O-N 3.38Å; C182-T186 PolarHBondContact O-OG1 3.41Å; T183-T186 VanDerWaalsContact O-CB 3.24Å; T183-T186 WeakPolarHBondContact O-CB 3.23Å; T183-T186 PolarHBondContact O-N 2.83Å; L184-T186 PolarHBondContact O-N 3.07Å; T186-C188 VanDerWaalsContact C-N 3.34Å; T186-C188 PolarHBondContact O-N 3.38Å; T186-C189 PolarHBondContact O-N 2.96Å; T186-Y190 WeakPolarHBondContact O-CB 3.31Å; T186-Y190 PolarHBondContact O-N 3.35Å |
| 187 | V | 98.1 | Very high | 97.1 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.03 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.1 | -42.6 | -179.3 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | T183 L184 Y190 L191 L215 A218 L219 | T183-V187 PolarHBondContact O-N 2.93Å; L184-V187 PolarHBondContact O-N 2.9Å; L184-V187 VanDerWaalsContact O-N 3.13Å; V187-Y190 PolarHBondContact O-N 3.42Å; V187-L191 HydrophobicContact CG1-CD1 3.95Å; V187-L191 HydrophobicContact CG1-CG 4.4Å; V187-L191 WeakPolarHBondContact O-CB 3.34Å; V187-L191 WeakPolarHBondContact O-CG 3.42Å; V187-L191 PolarHBondContact O-N 3.4Å; V187-L215 HydrophobicContact CG1-CD1 4.21Å; V187-L215 HydrophobicContact CG2-CD1 4.44Å; V187-A218 HydrophobicContact CG2-CB 3.91Å; V187-L219 HydrophobicContact CG1-CD1 4.25Å |
| 188 | C | 98.3 | Very high | 96.7 | Very high | 73 Ų | 73 | 31 Ų | 31 | 49% | 0.493 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.2 | -44.6 | 175.6 | -65.3 | 0 | 0 | 0 | 0 | 112.3 | L184 A185 T186 Y190 L191 A192 | L184-C188 PolarHBondContact O-N 3.21Å; L184-C188 PolarHBondContact O-SG 3.28Å; L184-C188 VanDerWaalsContact O-SG 3.35Å; A185-C188 PolarHBondContact O-N 3.44Å; T186-C188 VanDerWaalsContact C-N 3.34Å; T186-C188 PolarHBondContact O-N 3.38Å; C188-Y190 VanDerWaalsContact C-N 3.33Å; C188-Y190 PolarHBondContact O-N 3.15Å; C188-L191 PolarHBondContact O-N 3.4Å; C188-A192 VanDerWaalsContact O-CB 3.28Å; C188-A192 WeakPolarHBondContact O-CB 2.99Å; C188-A192 PolarHBondContact O-N 3Å |
| 189 | C | 97.9 | Very high | 96.3 | Very high | 18 Ų | 18 | 35.7 Ų | 35.7 | 12% | 0.122 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.6 | -41.8 | 177.7 | -69.9 | 0 | 0 | 0 | 0 | 111.4 | L135 C138 Q139 A185 T186 G193 | L135-C189 HydrophobicContact CD2-CB 4.15Å; C138-C189 HydrophobicContact CB-CB 4.19Å; Q139-C189 HydrophobicContact CB-CB 4.19Å; A185-C189 WeakPolarHBondContact O-CB 3.36Å; A185-C189 PolarHBondContact O-N 3.28Å; A185-C189 PolarHBondContact O-SG 2.94Å; T186-C189 PolarHBondContact O-N 2.96Å; C189-G193 PolarHBondContact O-N 3.5Å |
| 190 | Y | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.6 | -53.3 | 176.5 | -175.7 | -88.8 | 0 | 0 | 0 | 111.4 | W33 Y34 V78 L80 Q139 T186 V187 C188 A192 G193 M194 L215 | W33-Y190 HydrophobicContact CB-CE1 4.02Å; W33-Y190 HydrophobicContact CB-CE2 4.02Å; W33-Y190 WeakPolarHBondContact CB-OH 3.28Å; W33-Y190 HydrophobicContact CD2-CD2 4.48Å; W33-Y190 HydrophobicContact CD2-CE2 4.37Å; W33-Y190 HydrophobicContact CE3-CD1 4.01Å; W33-Y190 AromaticContact CE3-CD2 3.53Å; W33-Y190 HydrophobicContact CE3-CD2 3.53Å; W33-Y190 HydrophobicContact CE3-CE1 4.26Å; W33-Y190 AromaticContact CE3-CE2 3.81Å; W33-Y190 HydrophobicContact CE3-CE2 3.81Å; W33-Y190 AromaticContact CE3-CG 3.66Å; W33-Y190 HydrophobicContact CE3-CG 3.66Å; W33-Y190 HydrophobicContact CG-CE2 4.49Å; W33-Y190 HydrophobicContact CZ3-CD2 4.06Å; W33-Y190 HydrophobicContact CZ3-CG 4.05Å; Y34-Y190 WeakPolarHBondContact CB-OH 3.3Å; V78-Y190 VanDerWaalsContact CG1-OH 3.24Å; V78-Y190 WeakPolarHBondContact CG1-OH 3.42Å; L80-Y190 HydrophobicContact CD2-CD2 4.3Å; Q139-Y190 VanDerWaalsContact OE1-CA 3.31Å; T186-Y190 WeakPolarHBondContact O-CB 3.31Å; T186-Y190 PolarHBondContact O-N 3.35Å; V187-Y190 PolarHBondContact O-N 3.42Å; C188-Y190 VanDerWaalsContact C-N 3.33Å; C188-Y190 PolarHBondContact O-N 3.15Å; Y190-A192 PolarHBondContact O-N 2.98Å; Y190-G193 PolarHBondContact O-N 3.31Å; Y190-M194 HydrophobicContact CD1-CG 3.98Å; Y190-M194 HydrophobicContact CE1-CG 3.63Å; Y190-M194 HydrophobicContact CE1-SD 4.37Å; Y190-M194 HydrophobicContact CE2-SD 4.5Å; Y190-M194 VanDerWaalsContact O-CG 3.28Å; Y190-M194 WeakPolarHBondContact O-CG 3.33Å; Y190-M194 PolarHBondContact O-N 3.05Å; Y190-L215 HydrophobicContact CD1-CD1 3.86Å; Y190-L215 HydrophobicContact CE1-CD1 4.32Å; Y190-L215 HydrophobicContact CG-CD1 4.39Å |
| 191 | L | 97.3 | Very high | 95.1 | Very high | 70 Ų | 70 | 39.6 Ų | 39.6 | 37% | 0.366 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61 | -43.5 | -179.2 | -70.8 | 174.2 | 0 | 0 | 0 | 112.4 | V187 C188 M194 D195 L211 L215 | V187-L191 HydrophobicContact CG1-CD1 3.95Å; V187-L191 HydrophobicContact CG1-CG 4.4Å; V187-L191 WeakPolarHBondContact O-CB 3.34Å; V187-L191 WeakPolarHBondContact O-CG 3.42Å; V187-L191 PolarHBondContact O-N 3.4Å; C188-L191 PolarHBondContact O-N 3.4Å; L191-M194 PolarHBondContact O-N 3.23Å; L191-D195 PolarHBondContact O-N 2.97Å; L191-L211 HydrophobicContact CD2-CD1 4.42Å; L191-L211 HydrophobicContact CD2-CD2 3.64Å; L191-L215 HydrophobicContact CD2-CD2 3.91Å |
| 192 | A | 97.3 | Very high | 93.9 | Very high | 40 Ų | 40 | 43.6 Ų | 43.6 | 33% | 0.331 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.5 | -40.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | L135 C188 Y190 D195 L196 | L135-A192 HydrophobicContact CD1-CB 4.07Å; L135-A192 HydrophobicContact CD2-CB 4.28Å; C188-A192 VanDerWaalsContact O-CB 3.28Å; C188-A192 WeakPolarHBondContact O-CB 2.99Å; C188-A192 PolarHBondContact O-N 3Å; Y190-A192 PolarHBondContact O-N 2.98Å; A192-D195 PolarHBondContact O-N 3.09Å; A192-L196 WeakPolarHBondContact O-CG 3.2Å; A192-L196 PolarHBondContact O-N 3.04Å |
| 193 | G | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -42.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | C189 Y190 L196 L197 | C189-G193 PolarHBondContact O-N 3.5Å; Y190-G193 PolarHBondContact O-N 3.31Å; G193-L196 PolarHBondContact O-N 2.99Å; G193-L197 WeakPolarHBondContact O-CB 3.36Å; G193-L197 PolarHBondContact O-N 3.2Å |
| 194 | M | 93.7 | Very high | 92.1 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.02 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 175.3 | -66.5 | -55.5 | -63.3 | 0 | 0 | 112 | Y34 Y36 W136 Y190 L191 L196 L197 H198 | Y34-M194 HydrophobicContact CD1-CE 3.97Å; Y34-M194 HydrophobicContact CD2-CE 4.39Å; Y34-M194 HydrophobicContact CE1-CE 4.35Å; Y34-M194 HydrophobicContact CG-CE 4Å; Y36-M194 WeakPolarHBondContact OH-CE 3.5Å; W136-M194 HydrophobicContact CZ3-SD 4.37Å; Y190-M194 HydrophobicContact CD1-CG 3.98Å; Y190-M194 HydrophobicContact CE1-CG 3.63Å; Y190-M194 HydrophobicContact CE1-SD 4.37Å; Y190-M194 HydrophobicContact CE2-SD 4.5Å; Y190-M194 VanDerWaalsContact O-CG 3.28Å; Y190-M194 WeakPolarHBondContact O-CG 3.33Å; Y190-M194 PolarHBondContact O-N 3.05Å; L191-M194 PolarHBondContact O-N 3.23Å; M194-L196 VanDerWaalsContact C-N 3.33Å; M194-L196 PolarHBondContact O-N 2.76Å; M194-L197 PolarHBondContact O-N 3.32Å; M194-H198 WeakPolarHBondContact O-CB 3.48Å; M194-H198 PolarHBondContact O-N 3.07Å; M194-H198 PolarHBondContact O-ND1 3.43Å; M194-H198 VanDerWaalsContact O-ND1 3.08Å |
| 195 | D | 93.8 | Very high | 91 | Very high | 73 Ų | 73 | 51 Ų | 51 | 39% | 0.39 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 175.9 | -177.8 | 56.1 | 0 | 0 | 0 | 111.7 | L191 A192 H198 R199 | L191-D195 PolarHBondContact O-N 2.97Å; A192-D195 PolarHBondContact O-N 3.09Å; D195-H198 PolarHBondContact O-N 3.44Å; D195-R199 WeakPolarHBondContact O-CG 3.35Å; D195-R199 PolarHBondContact O-N 2.86Å; D195-R199 VanDerWaalsContact O-N 3.08Å; D195-R199 IonicContact OD1-NE 3.51Å; D195-R199 PolarHBondContact OD1-NE 2.95Å; D195-R199 IonicContact OD1-NH2 3.85Å; D195-R199 IonicContact OD2-CZ 3.9Å; D195-R199 IonicContact OD2-NE 2.71Å; D195-R199 PolarHBondContact OD2-NE 2.95Å; D195-R199 IonicContact OD2-NH2 3.18Å; D195-R199 PolarHBondContact OD2-NH2 3.45Å |
| 196 | L | 93.7 | Very high | 90.1 | Very high | 39 Ų | 39 | 56.1 Ų | 56.1 | 20% | 0.204 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 175.7 | -70.8 | 174.2 | 0 | 0 | 0 | 112.4 | L131 L135 A192 G193 M194 H198 R199 V200 | L131-L196 HydrophobicContact CD2-CD1 3.9Å; L131-L196 HydrophobicContact CG-CD1 4.03Å; L135-L196 HydrophobicContact CD1-CD1 3.57Å; A192-L196 WeakPolarHBondContact O-CG 3.2Å; A192-L196 PolarHBondContact O-N 3.04Å; G193-L196 PolarHBondContact O-N 2.99Å; M194-L196 VanDerWaalsContact C-N 3.33Å; M194-L196 PolarHBondContact O-N 2.76Å; L196-H198 VanDerWaalsContact C-N 3.31Å; L196-H198 PolarHBondContact O-N 2.88Å; L196-R199 PolarHBondContact O-N 3.41Å; L196-V200 WeakPolarHBondContact O-CG2 3.48Å; L196-V200 PolarHBondContact O-N 3.37Å |
| 197 | L | 91.8 | Very high | 89.5 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57 | -47.6 | 176.3 | 177.6 | 63.1 | 0 | 0 | 0 | 110.7 | G193 M194 R199 V200 S201 | G193-L197 WeakPolarHBondContact O-CB 3.36Å; G193-L197 PolarHBondContact O-N 3.2Å; M194-L197 PolarHBondContact O-N 3.32Å; L197-R199 VanDerWaalsContact C-N 3.35Å; L197-R199 PolarHBondContact O-N 3.49Å; L197-V200 PolarHBondContact O-N 3Å; L197-S201 WeakPolarHBondContact O-CB 3.32Å; L197-S201 PolarHBondContact O-N 3.12Å; L197-S201 PolarHBondContact O-OG 3.29Å |
| 198 | H | 91.1 | Very high | 89 | Confident | 33 Ų | 33 | 62 Ų | 62 | 15% | 0.153 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.2 | -36.7 | -178.8 | -65.4 | 150.1 | 0 | 0 | 0 | 113.3 | Y34 Y36 M194 D195 L196 V200 L203 | Y34-H198 AromaticContact CE1-CE1 3.93Å; Y34-H198 AromaticContact CZ-CE1 3.62Å; Y34-H198 PolarHBondContact OH-CE1 3.2Å; Y36-H198 AromaticContact CE1-NE2 3.34Å; Y36-H198 VanDerWaalsContact CE1-NE2 3.34Å; Y36-H198 WeakPolarHBondContact CE1-NE2 3.43Å; Y36-H198 AromaticContact CZ-NE2 3.45Å; Y36-H198 PolarHBondContact OH-NE2 2.92Å; M194-H198 WeakPolarHBondContact O-CB 3.48Å; M194-H198 PolarHBondContact O-N 3.07Å; M194-H198 PolarHBondContact O-ND1 3.43Å; M194-H198 VanDerWaalsContact O-ND1 3.08Å; D195-H198 PolarHBondContact O-N 3.44Å; L196-H198 VanDerWaalsContact C-N 3.31Å; L196-H198 PolarHBondContact O-N 2.88Å; H198-V200 VanDerWaalsContact C-N 3.32Å; H198-V200 PolarHBondContact O-N 3.48Å; H198-L203 HydrophobicContact CB-CD1 3.49Å; H198-L203 VanDerWaalsContact CB-CD1 3.49Å; H198-L203 VanDerWaalsContact CD2-CD1 3.48Å; H198-L203 WeakPolarHBondContact CD2-CD1 3.28Å |
| 199 | R | 89.6 | Confident | 88.7 | Confident | 178 Ų | 178 | 60.2 Ų | 60.2 | 67% | 0.672 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.8 | -35.6 | 175.9 | -72 | 175.7 | -168.4 | -153.2 | 7.3 | 112.8 | D195 L196 L197 | D195-R199 WeakPolarHBondContact O-CG 3.35Å; D195-R199 PolarHBondContact O-N 2.86Å; D195-R199 VanDerWaalsContact O-N 3.08Å; D195-R199 IonicContact OD1-NE 3.51Å; D195-R199 PolarHBondContact OD1-NE 2.95Å; D195-R199 IonicContact OD1-NH2 3.85Å; D195-R199 IonicContact OD2-CZ 3.9Å; D195-R199 IonicContact OD2-NE 2.71Å; D195-R199 PolarHBondContact OD2-NE 2.95Å; D195-R199 IonicContact OD2-NH2 3.18Å; D195-R199 PolarHBondContact OD2-NH2 3.45Å; L196-R199 PolarHBondContact O-N 3.41Å; L197-R199 VanDerWaalsContact C-N 3.35Å; L197-R199 PolarHBondContact O-N 3.49Å |
| 200 | V | 88.8 | Confident | 88.5 | Confident | 56 Ų | 56 | 62.2 Ų | 62.2 | 34% | 0.339 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -88.4 | -35.3 | -174.2 | 178.1 | 0 | 0 | 0 | 0 | 112.1 | K119 P121 L196 L197 H198 | K119-V200 WeakPolarHBondContact O-CG1 3.15Å; P121-V200 HydrophobicContact CG-CG1 3.9Å; L196-V200 WeakPolarHBondContact O-CG2 3.48Å; L196-V200 PolarHBondContact O-N 3.37Å; L197-V200 PolarHBondContact O-N 3Å; H198-V200 VanDerWaalsContact C-N 3.32Å; H198-V200 PolarHBondContact O-N 3.48Å |
| 201 | S | 82.8 | Confident | 88.4 | Confident | 25 Ų | 25 | 65.4 Ų | 65.4 | 18% | 0.175 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -83.1 | -11.1 | -175.1 | 52.2 | 0 | 0 | 0 | 0 | 115 | L197 | L197-S201 WeakPolarHBondContact O-CB 3.32Å; L197-S201 PolarHBondContact O-N 3.12Å; L197-S201 PolarHBondContact O-OG 3.29Å |
| 202 | M | 74.6 | Confident | 88.4 | Confident | 164 Ų | 164 | 62.3 Ų | 62.3 | 81% | 0.808 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 90.4 | -171.8 | -64.9 | -161.5 | -174.1 | 0 | 0 | 112.2 | ||
| 203 | L | 79.5 | Confident | 88.3 | Confident | 52 Ų | 52 | 66.4 Ų | 66.4 | 27% | 0.272 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 134.5 | 178.1 | -81.5 | 71 | 0 | 0 | 0 | 110.4 | Y36 H198 V207 | Y36-L203 HydrophobicContact CE1-CD2 4.5Å; H198-L203 HydrophobicContact CB-CD1 3.49Å; H198-L203 VanDerWaalsContact CB-CD1 3.49Å; H198-L203 VanDerWaalsContact CD2-CD1 3.48Å; H198-L203 WeakPolarHBondContact CD2-CD1 3.28Å; L203-V207 HydrophobicContact CD2-CG1 4.46Å |
| 204 | P | 79.6 | Confident | 88.4 | Confident | 48 Ų | 48 | 66.4 Ų | 66.4 | 31% | 0.312 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 146.4 | 173.3 | -21.9 | 31.3 | 0 | 0 | 0 | 111.5 | F72 K206 V207 | F72-P204 HydrophobicContact CB-CG 4.34Å; P204-K206 PolarHBondContact O-N 3.16Å; P204-V207 HydrophobicContact CB-CG2 3.91Å; P204-V207 HydrophobicContact CG-CG2 4.21Å; P204-V207 WeakPolarHBondContact O-CB 3.28Å; P204-V207 PolarHBondContact O-N 3.45Å; P204-V207 VanDerWaalsContact O-N 3.13Å |
| 205 | D | 74.5 | Confident | 88.6 | Confident | 151 Ų | 151 | 66.5 Ų | 66.5 | 81% | 0.807 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 137.8 | 177.4 | -69.2 | -38.6 | 0 | 0 | 0 | 110.7 | V207 | D205-V207 VanDerWaalsContact C-N 3.28Å; D205-V207 PolarHBondContact O-N 3.05Å |
| 206 | K | 80 | Confident | 88.8 | Confident | 142 Ų | 142 | 68.5 Ų | 68.5 | 62% | 0.617 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 7.7 | 180 | -40.8 | 168.2 | -177.2 | 172.3 | 0 | 115.5 | P39 E44 P204 | P39-K206 WeakPolarHBondContact CD-O 3.48Å; P39-K206 HydrophobicContact CG-CB 3.47Å; P39-K206 VanDerWaalsContact CG-CB 3.47Å; P39-K206 HydrophobicContact CG-CD 4.08Å; P39-K206 HydrophobicContact CG-CG 4.45Å; P39-K206 WeakPolarHBondContact CG-O 3.39Å; E44-K206 IonicContact OE2-NZ 3.68Å; P204-K206 PolarHBondContact O-N 3.16Å |
| 207 | V | 86.1 | Confident | 89.1 | Confident | 15 Ų | 15 | 68.4 Ų | 68.4 | 9% | 0.091 | 34% | 0.344 | C | S | . | . | trans | -83.3 | 118.4 | 168.8 | 177.3 | 0 | 0 | 0 | 0 | 109.6 | Y36 F72 L203 P204 D205 | Y36-V207 HydrophobicContact CD1-CG1 4.21Å; F72-V207 HydrophobicContact CB-CG1 4.45Å; F72-V207 WeakPolarHBondContact O-CG2 3.44Å; L203-V207 HydrophobicContact CD2-CG1 4.46Å; P204-V207 HydrophobicContact CB-CG2 3.91Å; P204-V207 HydrophobicContact CG-CG2 4.21Å; P204-V207 WeakPolarHBondContact O-CB 3.28Å; P204-V207 PolarHBondContact O-N 3.45Å; P204-V207 VanDerWaalsContact O-N 3.13Å; D205-V207 VanDerWaalsContact C-N 3.28Å; D205-V207 PolarHBondContact O-N 3.05Å | ||
| 208 | D | 87.5 | Confident | 89.3 | Confident | 115 Ų | 115 | 68.1 Ų | 68.1 | 62% | 0.615 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 140.7 | 176.2 | -69.1 | -38.6 | 0 | 0 | 0 | 110.8 | Y36 S37 | Y36-D208 CarbonylContact C-O 3.58Å; Y36-D208 WeakPolarHBondContact CA-O 3.48Å; S37-D208 PolarHBondContact N-O 3.41Å; S37-D208 PolarHBondContact O-N 2.98Å |
| 209 | G | 90.3 | Very high | 89.7 | Confident | 35 Ų | 35 | 70 Ų | 70 | 36% | 0.361 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 136.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y34 Q35 | Y34-G209 VanDerWaalsContact OH-CA 3.24Å; Y34-G209 WeakPolarHBondContact OH-CA 3.44Å; Q35-G209 WeakPolarHBondContact O-CA 3.45Å |
| 210 | S | 94 | Very high | 90.1 | Very high | 60 Ų | 60 | 65.2 Ų | 65.2 | 42% | 0.42 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 148.6 | -178.8 | 65.6 | 0 | 0 | 0 | 0 | 111.8 | Y34 Q35 | Y34-S210 WeakPolarHBondContact CA-O 3.4Å; Y34-S210 WeakPolarHBondContact CD2-O 3.27Å; Q35-S210 PolarHBondContact N-O 2.67Å; Q35-S210 PolarHBondContact O-N 3.16Å; Q35-S210 PolarHBondContact O-OG 3.44Å |
| 211 | L | 96.4 | Very high | 90.5 | Very high | 66 Ų | 66 | 62.6 Ų | 62.6 | 35% | 0.346 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 134.3 | 174.5 | -56.2 | -177.3 | 0 | 0 | 0 | 109.5 | Y34 L191 L215 Y216 | Y34-L211 HydrophobicContact CD2-CD2 3.74Å; Y34-L211 HydrophobicContact CE2-CD2 3.79Å; L191-L211 HydrophobicContact CD2-CD1 4.42Å; L191-L211 HydrophobicContact CD2-CD2 3.64Å; L211-L215 HydrophobicContact CB-CD2 4.15Å; L211-L215 HydrophobicContact CD1-CD2 4.15Å; L211-L215 HydrophobicContact CD2-CD2 3.75Å; L211-L215 HydrophobicContact CG-CD2 4.22Å; L211-Y216 HydrophobicContact CB-CE2 4.14Å |
| 212 | G | 95.6 | Very high | 91.3 | Very high | 6 Ų | 6 | 61.5 Ų | 61.5 | 6% | 0.062 | 32% | 0.318 | C | S | . | . | trans | -88.7 | 160.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | H32 W33 S214 L215 Y216 | H32-G212 CarbonylContact O-C 3.59Å; H32-G212 WeakPolarHBondContact O-CA 3.32Å; W33-G212 PolarHBondContact O-N 3.14Å; G212-S214 VanDerWaalsContact C-N 3.3Å; G212-S214 PolarHBondContact O-N 3.39Å; G212-L215 WeakPolarHBondContact O-CB 3.42Å; G212-L215 PolarHBondContact O-N 3.13Å; G212-L215 VanDerWaalsContact O-N 3.15Å; G212-Y216 WeakPolarHBondContact O-CD2 2.92Å | ||
| 213 | W | 96.8 | Very high | 92.4 | Very high | 126 Ų | 126 | 56.6 Ų | 56.6 | 48% | 0.477 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.2 | -34.2 | -173.5 | 60.5 | -96.3 | 0 | 0 | 0 | 113.9 | V26 T30 H32 L215 Y216 L217 | V26-W213 HydrophobicContact CG1-CH2 4.15Å; V26-W213 HydrophobicContact CG1-CZ3 3.91Å; T30-W213 HydrophobicContact CG2-CH2 3.58Å; T30-W213 HydrophobicContact CG2-CZ2 4.12Å; T30-W213 HydrophobicContact CG2-CZ3 4.43Å; H32-W213 HydrophobicContact CB-CD2 4.43Å; H32-W213 HydrophobicContact CB-CG 4.46Å; H32-W213 HydrophobicContact CB-CZ2 4.29Å; H32-W213 AromaticContact CD2-CE2 3.77Å; H32-W213 AromaticContact CD2-CZ2 3.68Å; H32-W213 AromaticContact CD2-NE1 3.42Å; H32-W213 PolarHBondContact CD2-NE1 3.49Å; H32-W213 AromaticContact CG-CE2 3.99Å; H32-W213 AromaticContact CG-NE1 3.39Å; H32-W213 PolarHBondContact O-N 2.95Å; W213-L215 VanDerWaalsContact C-N 3.3Å; W213-L215 PolarHBondContact O-N 2.69Å; W213-Y216 WeakPolarHBondContact O-CB 3.46Å; W213-Y216 PolarHBondContact O-N 3.18Å; W213-L217 HydrophobicContact CE3-CD1 3.75Å; W213-L217 HydrophobicContact CE3-CG 4.34Å; W213-L217 HydrophobicContact CZ3-CD1 3.54Å; W213-L217 PolarHBondContact O-N 3.14Å |
| 214 | S | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.5 | -26.8 | 179.9 | 33.3 | 0 | 0 | 0 | 0 | 113.2 | A27 T30 H32 W33 G212 Y216 L217 A218 | A27-S214 WeakPolarHBondContact CB-O 3.5Å; T30-S214 WeakPolarHBondContact OG1-CB 3.28Å; T30-S214 PolarHBondContact OG1-OG 3.21Å; H32-S214 WeakPolarHBondContact CA-OG 3.44Å; H32-S214 WeakPolarHBondContact CB-OG 3.5Å; H32-S214 PolarHBondContact O-N 3.37Å; H32-S214 PolarHBondContact O-OG 3.31Å; W33-S214 PolarHBondContact N-OG 2.68Å; G212-S214 VanDerWaalsContact C-N 3.3Å; G212-S214 PolarHBondContact O-N 3.39Å; S214-Y216 VanDerWaalsContact C-N 3.28Å; S214-Y216 PolarHBondContact O-N 2.72Å; S214-L217 WeakPolarHBondContact O-CB 3.34Å; S214-L217 PolarHBondContact O-N 2.99Å; S214-A218 PolarHBondContact O-N 2.84Å; S214-A218 VanDerWaalsContact O-N 3.07Å |
| 215 | L | 97.6 | Very high | 94.2 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 172.2 | -173.1 | 74 | 0 | 0 | 0 | 110.7 | W33 V187 Y190 L191 L211 G212 W213 L217 A218 L219 | W33-L215 HydrophobicContact CD2-CD1 3.98Å; W33-L215 HydrophobicContact CE3-CD1 3.27Å; W33-L215 HydrophobicContact CZ3-CD1 3.64Å; V187-L215 HydrophobicContact CG1-CD1 4.21Å; V187-L215 HydrophobicContact CG2-CD1 4.44Å; Y190-L215 HydrophobicContact CD1-CD1 3.86Å; Y190-L215 HydrophobicContact CE1-CD1 4.32Å; Y190-L215 HydrophobicContact CG-CD1 4.39Å; L191-L215 HydrophobicContact CD2-CD2 3.91Å; L211-L215 HydrophobicContact CB-CD2 4.15Å; L211-L215 HydrophobicContact CD1-CD2 4.15Å; L211-L215 HydrophobicContact CD2-CD2 3.75Å; L211-L215 HydrophobicContact CG-CD2 4.22Å; G212-L215 WeakPolarHBondContact O-CB 3.42Å; G212-L215 PolarHBondContact O-N 3.13Å; G212-L215 VanDerWaalsContact O-N 3.15Å; W213-L215 VanDerWaalsContact C-N 3.3Å; W213-L215 PolarHBondContact O-N 2.69Å; L215-L217 VanDerWaalsContact C-N 3.32Å; L215-L217 PolarHBondContact O-N 3.34Å; L215-A218 PolarHBondContact O-N 3.44Å; L215-L219 WeakPolarHBondContact O-CB 3.38Å; L215-L219 PolarHBondContact O-N 3.15Å |
| 216 | Y | 98 | Very high | 95.3 | Very high | 116 Ų | 116 | 49.1 Ų | 49.1 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.2 | -35.6 | 175.2 | -65.5 | -70 | 0 | 0 | 0 | 112.2 | L211 G212 W213 S214 L219 I220 | L211-Y216 HydrophobicContact CB-CE2 4.14Å; G212-Y216 WeakPolarHBondContact O-CD2 2.92Å; W213-Y216 WeakPolarHBondContact O-CB 3.46Å; W213-Y216 PolarHBondContact O-N 3.18Å; S214-Y216 VanDerWaalsContact C-N 3.28Å; S214-Y216 PolarHBondContact O-N 2.72Å; Y216-L219 PolarHBondContact O-N 3.07Å; Y216-I220 WeakPolarHBondContact O-CB 3.47Å; Y216-I220 WeakPolarHBondContact O-CD1 3.17Å; Y216-I220 WeakPolarHBondContact O-CG1 3.31Å; Y216-I220 PolarHBondContact O-N 3.11Å |
| 217 | L | 98.3 | Very high | 96.2 | Very high | 36 Ų | 36 | 47.4 Ų | 47.4 | 19% | 0.188 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 173 | -66.4 | -178.1 | 0 | 0 | 0 | 111.9 | Y23 V26 A27 W213 S214 L215 L219 I220 S221 | Y23-L217 HydrophobicContact CD1-CD2 4.29Å; Y23-L217 HydrophobicContact CD2-CD2 4.16Å; Y23-L217 HydrophobicContact CE1-CD2 4.48Å; Y23-L217 HydrophobicContact CE2-CD2 4.36Å; Y23-L217 HydrophobicContact CG-CD2 4.13Å; V26-L217 HydrophobicContact CB-CD1 4.38Å; V26-L217 HydrophobicContact CG1-CD1 3.83Å; A27-L217 HydrophobicContact CB-CB 4.24Å; W213-L217 HydrophobicContact CE3-CD1 3.75Å; W213-L217 HydrophobicContact CE3-CG 4.34Å; W213-L217 HydrophobicContact CZ3-CD1 3.54Å; W213-L217 PolarHBondContact O-N 3.14Å; S214-L217 WeakPolarHBondContact O-CB 3.34Å; S214-L217 PolarHBondContact O-N 2.99Å; L215-L217 VanDerWaalsContact C-N 3.32Å; L215-L217 PolarHBondContact O-N 3.34Å; L217-L219 VanDerWaalsContact C-N 3.34Å; L217-L219 PolarHBondContact O-N 2.96Å; L217-I220 PolarHBondContact O-N 2.79Å; L217-S221 WeakPolarHBondContact O-CB 3.41Å; L217-S221 PolarHBondContact O-N 3.22Å |
| 218 | A | 97.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | A27 W33 T183 V187 S214 L215 I220 S221 S222 | A27-A218 HydrophobicContact CB-CB 3.83Å; W33-A218 HydrophobicContact CH2-CB 4.08Å; W33-A218 HydrophobicContact CZ2-CB 4.21Å; T183-A218 WeakPolarHBondContact CG2-O 3.43Å; V187-A218 HydrophobicContact CG2-CB 3.91Å; S214-A218 PolarHBondContact O-N 2.84Å; S214-A218 VanDerWaalsContact O-N 3.07Å; L215-A218 PolarHBondContact O-N 3.44Å; A218-I220 VanDerWaalsContact C-N 3.34Å; A218-I220 PolarHBondContact O-N 2.86Å; A218-S221 PolarHBondContact O-N 3.3Å; A218-S221 PolarHBondContact O-OG 2.77Å; A218-S222 PolarHBondContact O-N 3.33Å |
| 219 | L | 97.9 | Very high | 97.3 | Very high | 73 Ų | 73 | 41.3 Ų | 41.3 | 38% | 0.382 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.5 | -41 | 178.3 | -177.4 | 62.3 | 0 | 0 | 0 | 112.7 | L184 V187 L215 Y216 L217 P223 | L184-L219 HydrophobicContact CD1-CD1 4.35Å; V187-L219 HydrophobicContact CG1-CD1 4.25Å; L215-L219 WeakPolarHBondContact O-CB 3.38Å; L215-L219 PolarHBondContact O-N 3.15Å; Y216-L219 PolarHBondContact O-N 3.07Å; L217-L219 VanDerWaalsContact C-N 3.34Å; L217-L219 PolarHBondContact O-N 2.96Å; L219-P223 WeakPolarHBondContact O-CD 3.44Å |
| 220 | I | 98.4 | Very high | 97.6 | Very high | 78 Ų | 78 | 42.6 Ų | 42.6 | 40% | 0.4 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -73.6 | -31.9 | 178.5 | -67.8 | 164.2 | 0 | 0 | 0 | 111.6 | Y23 Y216 L217 A218 S222 P223 L224 | Y23-I220 HydrophobicContact CD2-CB 4.44Å; Y23-I220 HydrophobicContact CD2-CG2 3.97Å; Y23-I220 HydrophobicContact CE2-CG2 3.93Å; Y216-I220 WeakPolarHBondContact O-CB 3.47Å; Y216-I220 WeakPolarHBondContact O-CD1 3.17Å; Y216-I220 WeakPolarHBondContact O-CG1 3.31Å; Y216-I220 PolarHBondContact O-N 3.11Å; L217-I220 PolarHBondContact O-N 2.79Å; A218-I220 VanDerWaalsContact C-N 3.34Å; A218-I220 PolarHBondContact O-N 2.86Å; I220-S222 VanDerWaalsContact C-N 3.28Å; I220-S222 PolarHBondContact O-N 2.86Å; I220-P223 WeakPolarHBondContact O-CD 3.32Å; I220-P223 VanDerWaalsContact O-CG 3.24Å; I220-P223 WeakPolarHBondContact O-CG 3.24Å; I220-L224 HydrophobicContact CG2-CD1 3.95Å; I220-L224 HydrophobicContact CG2-CG 4.36Å; I220-L224 WeakPolarHBondContact O-CG 3.33Å; I220-L224 PolarHBondContact O-N 3.39Å |
| 221 | S | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -33.1 | 179 | 69.5 | 0 | 0 | 0 | 0 | 113.1 | A20 T183 L217 A218 L224 H225 | A20-S221 VanDerWaalsContact O-CB 3.3Å; A20-S221 WeakPolarHBondContact O-CB 3.42Å; T183-S221 VanDerWaalsContact CG2-OG 3.27Å; T183-S221 WeakPolarHBondContact CG2-OG 3.46Å; L217-S221 WeakPolarHBondContact O-CB 3.41Å; L217-S221 PolarHBondContact O-N 3.22Å; A218-S221 PolarHBondContact O-N 3.3Å; A218-S221 PolarHBondContact O-OG 2.77Å; S221-L224 PolarHBondContact O-N 3.45Å; S221-H225 PolarHBondContact O-CD2 2.71Å; S221-H225 PolarHBondContact O-N 2.76Å |
| 222 | S | 98.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.2 | -60.7 | 177 | 169.7 | 0 | 0 | 0 | 0 | 113.7 | G180 A218 I220 L224 H225 M226 | G180-S222 PolarHBondContact O-OG 2.97Å; G180-S222 VanDerWaalsContact O-OG 3.09Å; A218-S222 PolarHBondContact O-N 3.33Å; I220-S222 VanDerWaalsContact C-N 3.28Å; I220-S222 PolarHBondContact O-N 2.86Å; S222-L224 PolarHBondContact O-N 3.4Å; S222-H225 PolarHBondContact O-N 3.2Å; S222-H225 VanDerWaalsContact O-N 3.15Å; S222-M226 WeakPolarHBondContact O-CG 3.47Å; S222-M226 PolarHBondContact O-N 2.93Å |
| 223 | P | 98.4 | Very high | 97.7 | Very high | 60 Ų | 60 | 41 Ų | 41 | 39% | 0.39 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.5 | -31.9 | 179.2 | 23.7 | -33.3 | 0 | 0 | 0 | 112.4 | L219 I220 M226 M227 | L219-P223 WeakPolarHBondContact O-CD 3.44Å; I220-P223 WeakPolarHBondContact O-CD 3.32Å; I220-P223 VanDerWaalsContact O-CG 3.24Å; I220-P223 WeakPolarHBondContact O-CG 3.24Å; P223-M226 PolarHBondContact O-N 2.87Å; P223-M227 WeakPolarHBondContact O-CB 2.96Å; P223-M227 VanDerWaalsContact O-CG 3.22Å; P223-M227 WeakPolarHBondContact O-CG 3.5Å; P223-M227 PolarHBondContact O-N 3.15Å |
| 224 | L | 98.6 | Very high | 97.6 | Very high | 29 Ų | 29 | 40.8 Ų | 40.8 | 15% | 0.152 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.7 | -45.1 | 174.5 | -67.3 | 174 | 0 | 0 | 0 | 112 | L16 L19 A20 Y23 I220 S221 S222 M227 A228 | L16-L224 HydrophobicContact CD2-CD2 3.72Å; L19-L224 HydrophobicContact CB-CD1 4.5Å; A20-L224 HydrophobicContact CB-CB 3.64Å; A20-L224 HydrophobicContact CB-CD1 4.35Å; Y23-L224 HydrophobicContact CD2-CD1 4.06Å; Y23-L224 HydrophobicContact CE2-CD1 4.18Å; I220-L224 HydrophobicContact CG2-CD1 3.95Å; I220-L224 HydrophobicContact CG2-CG 4.36Å; I220-L224 WeakPolarHBondContact O-CG 3.33Å; I220-L224 PolarHBondContact O-N 3.39Å; S221-L224 PolarHBondContact O-N 3.45Å; S222-L224 PolarHBondContact O-N 3.4Å; L224-M227 PolarHBondContact O-N 3.32Å; L224-A228 PolarHBondContact O-N 3.16Å |
| 225 | H | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -41.3 | 172.7 | -79.9 | -52.7 | 0 | 0 | 0 | 112.1 | A20 V150 H176 S221 S222 A228 A229 | A20-H225 VanDerWaalsContact CB-CE1 3.44Å; A20-H225 WeakPolarHBondContact CB-CE1 3.09Å; A20-H225 WeakPolarHBondContact CB-NE2 3.34Å; V150-H225 WeakPolarHBondContact CG2-CE1 3.4Å; H176-H225 AromaticContact CD2-ND1 3.92Å; S221-H225 PolarHBondContact O-CD2 2.71Å; S221-H225 PolarHBondContact O-N 2.76Å; S222-H225 PolarHBondContact O-N 3.2Å; S222-H225 VanDerWaalsContact O-N 3.15Å; H225-A228 PolarHBondContact O-N 2.69Å; H225-A229 WeakPolarHBondContact O-CB 3.4Å; H225-A229 PolarHBondContact O-N 3.35Å |
| 226 | M | 98.3 | Very high | 97 | Very high | 66 Ų | 66 | 41.7 Ų | 41.7 | 33% | 0.325 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67.4 | -35.8 | 178.1 | -63.5 | 177.8 | 83 | 0 | 0 | 112.6 | L177 L181 S222 P223 A229 A230 | L177-M226 HydrophobicContact CD1-CE 3.93Å; L177-M226 HydrophobicContact CD1-CG 4.26Å; L181-M226 HydrophobicContact CD2-CE 4.25Å; S222-M226 WeakPolarHBondContact O-CG 3.47Å; S222-M226 PolarHBondContact O-N 2.93Å; P223-M226 PolarHBondContact O-N 2.87Å; M226-A229 WeakPolarHBondContact O-CB 3.38Å; M226-A229 PolarHBondContact O-N 3.4Å; M226-A230 WeakPolarHBondContact O-CB 3.19Å; M226-A230 PolarHBondContact O-N 2.87Å |
| 227 | M | 98.3 | Very high | 96.5 | Very high | 105 Ų | 105 | 44 Ų | 44 | 52% | 0.517 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.2 | -44 | 173.5 | -73.9 | 175.6 | 68.3 | 0 | 0 | 111.4 | L16 P223 L224 A229 A230 L231 | L16-M227 HydrophobicContact CD1-CB 3.95Å; L16-M227 HydrophobicContact CD1-CE 4.44Å; P223-M227 WeakPolarHBondContact O-CB 2.96Å; P223-M227 VanDerWaalsContact O-CG 3.22Å; P223-M227 WeakPolarHBondContact O-CG 3.5Å; P223-M227 PolarHBondContact O-N 3.15Å; L224-M227 PolarHBondContact O-N 3.32Å; M227-A229 VanDerWaalsContact C-N 3.29Å; M227-A229 PolarHBondContact O-N 2.63Å; M227-A230 PolarHBondContact O-N 3.2Å; M227-L231 WeakPolarHBondContact O-CG 3.44Å; M227-L231 PolarHBondContact O-N 2.65Å |
| 228 | A | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.8 | -44.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | A13 L16 L224 H225 A230 L231 L232 | A13-A228 HydrophobicContact CB-CB 4.31Å; A13-A228 WeakPolarHBondContact O-CB 3.29Å; L16-A228 HydrophobicContact CB-CB 4.15Å; L224-A228 PolarHBondContact O-N 3.16Å; H225-A228 PolarHBondContact O-N 2.69Å; A228-A230 PolarHBondContact O-N 3.31Å; A228-L231 PolarHBondContact O-N 3.18Å; A228-L232 WeakPolarHBondContact O-CB 3.46Å; A228-L232 WeakPolarHBondContact O-CD1 3.45Å; A228-L232 VanDerWaalsContact O-CG 3.24Å; A228-L232 WeakPolarHBondContact O-CG 3.33Å; A228-L232 PolarHBondContact O-N 2.78Å |
| 229 | A | 98.1 | Very high | 94.9 | Very high | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58 | -48.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | G173 H176 L177 H225 M226 M227 L231 L232 V233 | G173-A229 WeakPolarHBondContact O-CB 3.37Å; H176-A229 HydrophobicContact CB-CB 3.79Å; L177-A229 HydrophobicContact CB-CB 3.86Å; H225-A229 WeakPolarHBondContact O-CB 3.4Å; H225-A229 PolarHBondContact O-N 3.35Å; M226-A229 WeakPolarHBondContact O-CB 3.38Å; M226-A229 PolarHBondContact O-N 3.4Å; M227-A229 VanDerWaalsContact C-N 3.29Å; M227-A229 PolarHBondContact O-N 2.63Å; A229-L231 VanDerWaalsContact C-N 3.34Å; A229-L231 PolarHBondContact O-N 3.42Å; A229-L232 PolarHBondContact O-N 3.38Å; A229-V233 WeakPolarHBondContact O-CB 3.44Å; A229-V233 VanDerWaalsContact O-CG2 3.27Å; A229-V233 WeakPolarHBondContact O-CG2 3.5Å; A229-V233 PolarHBondContact O-N 2.93Å |
| 230 | A | 97.8 | Very high | 94 | Very high | 61 Ų | 61 | 46.7 Ų | 46.7 | 50% | 0.504 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.6 | -43.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | M226 M227 A228 W234 | M226-A230 WeakPolarHBondContact O-CB 3.19Å; M226-A230 PolarHBondContact O-N 2.87Å; M227-A230 PolarHBondContact O-N 3.2Å; A228-A230 PolarHBondContact O-N 3.31Å; A230-W234 WeakPolarHBondContact O-CB 3.35Å; A230-W234 PolarHBondContact O-N 2.95Å |
| 231 | L | 96.7 | Very high | 92.9 | Very high | 48 Ų | 48 | 48.8 Ų | 48.8 | 25% | 0.251 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 176.5 | -71.1 | 171.1 | 0 | 0 | 0 | 112.2 | A9 I12 A13 L16 M227 A228 A229 W234 A235 | A9-L231 HydrophobicContact CB-CD2 4.49Å; I12-L231 HydrophobicContact CB-CD1 4.03Å; I12-L231 HydrophobicContact CG2-CD1 3.52Å; A13-L231 HydrophobicContact CB-CB 4.04Å; A13-L231 HydrophobicContact CB-CD1 4.33Å; L16-L231 HydrophobicContact CD1-CD1 3.92Å; M227-L231 WeakPolarHBondContact O-CG 3.44Å; M227-L231 PolarHBondContact O-N 2.65Å; A228-L231 PolarHBondContact O-N 3.18Å; A229-L231 VanDerWaalsContact C-N 3.34Å; A229-L231 PolarHBondContact O-N 3.42Å; L231-W234 PolarHBondContact O-N 2.9Å; L231-A235 VanDerWaalsContact O-CB 3.32Å; L231-A235 WeakPolarHBondContact O-CB 3.14Å; L231-A235 PolarHBondContact O-N 3.23Å |
| 232 | L | 95.4 | Very high | 91.6 | Very high | 11 Ų | 11 | 51.7 Ų | 51.7 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.4 | -45.8 | 178.3 | -70.9 | 165.9 | 0 | 0 | 0 | 112 | L10 A13 T169 I172 A228 A229 W234 A235 A236 | L10-L232 HydrophobicContact CD2-CD2 3.77Å; A13-L232 HydrophobicContact CB-CD1 4.41Å; A13-L232 HydrophobicContact CB-CD2 4.09Å; A13-L232 HydrophobicContact CB-CG 3.85Å; T169-L232 HydrophobicContact CG2-CB 4.29Å; T169-L232 HydrophobicContact CG2-CD2 3.88Å; T169-L232 WeakPolarHBondContact CG2-O 3.44Å; I172-L232 HydrophobicContact CG2-CD1 3.79Å; A228-L232 WeakPolarHBondContact O-CB 3.46Å; A228-L232 WeakPolarHBondContact O-CD1 3.45Å; A228-L232 VanDerWaalsContact O-CG 3.24Å; A228-L232 WeakPolarHBondContact O-CG 3.33Å; A228-L232 PolarHBondContact O-N 2.78Å; A229-L232 PolarHBondContact O-N 3.38Å; L232-W234 VanDerWaalsContact C-N 3.33Å; L232-W234 PolarHBondContact O-N 3.43Å; L232-A235 PolarHBondContact O-N 3.26Å; L232-A236 WeakPolarHBondContact O-CB 3.39Å; L232-A236 PolarHBondContact O-N 3.46Å |
| 233 | V | 94.7 | Very high | 90.1 | Very high | 39 Ų | 39 | 59.1 Ų | 59.1 | 24% | 0.236 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 176.7 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | L170 A229 A236 R237 | L170-V233 HydrophobicContact CD1-CB 4.44Å; L170-V233 HydrophobicContact CD1-CG1 4.05Å; L170-V233 HydrophobicContact CD1-CG2 4.18Å; A229-V233 WeakPolarHBondContact O-CB 3.44Å; A229-V233 VanDerWaalsContact O-CG2 3.27Å; A229-V233 WeakPolarHBondContact O-CG2 3.5Å; A229-V233 PolarHBondContact O-N 2.93Å; V233-A236 PolarHBondContact O-N 3.01Å; V233-R237 WeakPolarHBondContact O-CB 3.48Å; V233-R237 WeakPolarHBondContact O-CG 3.37Å; V233-R237 PolarHBondContact O-N 3.4Å |
| 234 | W | 94.4 | Very high | 88.5 | Confident | 122 Ų | 122 | 65 Ų | 65 | 46% | 0.462 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.4 | -48.8 | 175.3 | 173.2 | 84.8 | 0 | 0 | 0 | 111.6 | R5 A9 A230 L231 L232 A236 R237 S238 | R5-W234 HydrophobicContact CB-CH2 4.32Å; A9-W234 HydrophobicContact CB-CE3 3.95Å; A9-W234 HydrophobicContact CB-CZ3 3.62Å; A230-W234 WeakPolarHBondContact O-CB 3.35Å; A230-W234 PolarHBondContact O-N 2.95Å; L231-W234 PolarHBondContact O-N 2.9Å; L232-W234 VanDerWaalsContact C-N 3.33Å; L232-W234 PolarHBondContact O-N 3.43Å; W234-A236 VanDerWaalsContact C-N 3.33Å; W234-A236 PolarHBondContact O-N 3.08Å; W234-R237 PolarHBondContact O-N 2.77Å; W234-S238 VanDerWaalsContact O-CB 3.28Å; W234-S238 WeakPolarHBondContact O-CB 3.46Å; W234-S238 PolarHBondContact O-N 3.25Å |
| 235 | A | 91.4 | Very high | 86.8 | Confident | 7 Ų | 7 | 71.5 Ų | 71.5 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y6 L231 L232 H239 | Y6-A235 HydrophobicContact CD1-CB 4.4Å; L231-A235 VanDerWaalsContact O-CB 3.32Å; L231-A235 WeakPolarHBondContact O-CB 3.14Å; L231-A235 PolarHBondContact O-N 3.23Å; L232-A235 PolarHBondContact O-N 3.26Å; A235-H239 VanDerWaalsContact O-CB 3.29Å; A235-H239 WeakPolarHBondContact O-CB 3.45Å; A235-H239 PolarHBondContact O-N 3.44Å |
| 236 | A | 90.5 | Very high | 85.2 | Confident | 18 Ų | 18 | 77.7 Ų | 77.7 | 15% | 0.149 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.6 | -48.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T169 L170 L232 V233 W234 S240 | T169-A236 HydrophobicContact CG2-CB 4.16Å; L170-A236 HydrophobicContact CB-CB 3.87Å; L232-A236 WeakPolarHBondContact O-CB 3.39Å; L232-A236 PolarHBondContact O-N 3.46Å; V233-A236 PolarHBondContact O-N 3.01Å; W234-A236 VanDerWaalsContact C-N 3.33Å; W234-A236 PolarHBondContact O-N 3.08Å; A236-S240 PolarHBondContact O-N 3.17Å; A236-S240 VanDerWaalsContact O-N 3.1Å |
| 237 | R | 87.8 | Confident | 83.7 | Confident | 163 Ų | 163 | 77.5 Ų | 77.5 | 62% | 0.615 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.8 | -46.2 | 179.8 | -76.1 | -172 | 173.5 | -173.1 | -0.4 | 111.7 | V233 W234 H239 S240 Q241 | V233-R237 WeakPolarHBondContact O-CB 3.48Å; V233-R237 WeakPolarHBondContact O-CG 3.37Å; V233-R237 PolarHBondContact O-N 3.4Å; W234-R237 PolarHBondContact O-N 2.77Å; R237-H239 VanDerWaalsContact C-N 3.33Å; R237-H239 PolarHBondContact O-N 3.23Å; R237-S240 PolarHBondContact O-N 3.35Å; R237-S240 PolarHBondContact O-OG 2.95Å; R237-Q241 WeakPolarHBondContact O-CG 3.41Å; R237-Q241 PolarHBondContact O-N 3.27Å |
| 238 | S | 84.3 | Confident | 82.1 | Confident | 24 Ų | 24 | 75.1 Ų | 75.1 | 17% | 0.168 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.7 | -38.3 | -179.3 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | Y6 W234 Q241 N242 | Y6-S238 WeakPolarHBondContact CE1-OG 3.42Å; Y6-S238 PolarHBondContact OH-O 3.05Å; Y6-S238 PolarHBondContact OH-OG 3.27Å; W234-S238 VanDerWaalsContact O-CB 3.28Å; W234-S238 WeakPolarHBondContact O-CB 3.46Å; W234-S238 PolarHBondContact O-N 3.25Å; S238-Q241 PolarHBondContact O-N 2.71Å; S238-N242 PolarHBondContact O-N 3.33Å; S238-N242 VanDerWaalsContact O-N 3.11Å |
| 239 | H | 80 | Confident | 80.3 | Confident | 78 Ų | 78 | 84 Ų | 84 | 36% | 0.361 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 172.4 | -179.3 | -87.9 | 0 | 0 | 0 | 112.1 | Y6 A235 R237 Q241 N242 Y243 | Y6-H239 HydrophobicContact CE1-CB 4.33Å; A235-H239 VanDerWaalsContact O-CB 3.29Å; A235-H239 WeakPolarHBondContact O-CB 3.45Å; A235-H239 PolarHBondContact O-N 3.44Å; R237-H239 VanDerWaalsContact C-N 3.33Å; R237-H239 PolarHBondContact O-N 3.23Å; H239-Q241 PolarHBondContact O-N 3.13Å; H239-N242 PolarHBondContact O-N 3.38Å; H239-Y243 WeakPolarHBondContact O-CB 3.12Å; H239-Y243 PolarHBondContact O-N 3.09Å |
| 240 | S | 77.9 | Confident | 78.5 | Confident | 65 Ų | 65 | 94.3 Ų | 94.3 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 179.3 | 72.2 | 0 | 0 | 0 | 0 | 113 | A236 R237 Y243 Y244 | A236-S240 PolarHBondContact O-N 3.17Å; A236-S240 VanDerWaalsContact O-N 3.1Å; R237-S240 PolarHBondContact O-N 3.35Å; R237-S240 PolarHBondContact O-OG 2.95Å; S240-Y243 PolarHBondContact O-N 3Å; S240-Y244 WeakPolarHBondContact O-CB 3.34Å; S240-Y244 PolarHBondContact O-N 2.82Å |
| 241 | Q | 76 | Confident | 76.6 | Confident | 123 Ų | 123 | 97.4 Ų | 97.4 | 58% | 0.575 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -67.8 | -41.7 | 179.4 | -72.3 | 178.6 | -18.2 | 0 | 0 | 112.1 | R237 S238 H239 R245 | R237-Q241 WeakPolarHBondContact O-CG 3.41Å; R237-Q241 PolarHBondContact O-N 3.27Å; S238-Q241 PolarHBondContact O-N 2.71Å; H239-Q241 PolarHBondContact O-N 3.13Å; Q241-R245 WeakPolarHBondContact O-CG 3.48Å; Q241-R245 PolarHBondContact O-N 3.47Å |
| 242 | N | 70.7 | Confident | 74.4 | Confident | 60 Ų | 60 | 101.8 Ų | 101.8 | 32% | 0.321 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 176.6 | -81.5 | -5.8 | 0 | 0 | 0 | 111.9 | Y6 S238 H239 R245 M246 | Y6-N242 PolarHBondContact OH-ND2 3.4Å; S238-N242 PolarHBondContact O-N 3.33Å; S238-N242 VanDerWaalsContact O-N 3.11Å; H239-N242 PolarHBondContact O-N 3.38Å; N242-R245 PolarHBondContact O-N 2.7Å; N242-M246 WeakPolarHBondContact O-CG 3.44Å; N242-M246 PolarHBondContact O-N 3.15Å |
| 243 | Y | 67.1 | Low | 73.3 | Confident | 159 Ų | 159 | 106.3 Ų | 106.3 | 62% | 0.624 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.6 | -46 | 175.2 | -170.8 | -92.1 | 0 | 0 | 0 | 111.9 | H239 S240 R245 M246 T247 | H239-Y243 WeakPolarHBondContact O-CB 3.12Å; H239-Y243 PolarHBondContact O-N 3.09Å; S240-Y243 PolarHBondContact O-N 3Å; Y243-R245 PolarHBondContact O-N 2.99Å; Y243-M246 PolarHBondContact O-N 3.31Å; Y243-T247 PolarHBondContact O-N 3.13Å; Y243-T247 PolarHBondContact O-OG1 2.74Å |
| 244 | Y | 63.3 | Low | 72.2 | Confident | 183 Ų | 183 | 109.8 Ų | 109.8 | 72% | 0.718 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62 | -44.3 | 178 | -167.9 | -91.8 | 0 | 0 | 0 | 112 | S240 T247 A248 | S240-Y244 WeakPolarHBondContact O-CB 3.34Å; S240-Y244 PolarHBondContact O-N 2.82Å; Y244-T247 PolarHBondContact O-N 3.49Å; Y244-A248 PolarHBondContact O-N 3.02Å |
| 245 | R | 63.7 | Low | 71 | Confident | 166 Ų | 166 | 109.2 Ų | 109.2 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.6 | -49.1 | 175.4 | -80.1 | -178.8 | 172.8 | 174.1 | -2.4 | 112.1 | Q241 N242 Y243 T247 A248 Y249 | Q241-R245 WeakPolarHBondContact O-CG 3.48Å; Q241-R245 PolarHBondContact O-N 3.47Å; N242-R245 PolarHBondContact O-N 2.7Å; Y243-R245 PolarHBondContact O-N 2.99Å; R245-T247 PolarHBondContact O-N 3.18Å; R245-A248 PolarHBondContact O-N 3.49Å; R245-Y249 HydrophobicContact CB-CE2 4.47Å; R245-Y249 WeakPolarHBondContact O-CD2 3.32Å; R245-Y249 PolarHBondContact O-N 2.65Å |
| 246 | M | 64.6 | Low | 69.8 | Low | 130 Ų | 130 | 115.2 Ų | 115.2 | 64% | 0.64 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.6 | -32.2 | 178.6 | -72.8 | -132.2 | -68.3 | 0 | 0 | 113 | N242 Y243 R250 | N242-M246 WeakPolarHBondContact O-CG 3.44Å; N242-M246 PolarHBondContact O-N 3.15Å; Y243-M246 PolarHBondContact O-N 3.31Å; M246-R250 PolarHBondContact O-N 3.04Å |
| 247 | T | 67.2 | Low | 68.5 | Low | 63 Ų | 63 | 121.3 Ų | 121.3 | 39% | 0.387 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -71.1 | -43.3 | 175.8 | -46.2 | 0 | 0 | 0 | 0 | 110.9 | Y243 Y244 R245 Y249 R250 V251 | Y243-T247 PolarHBondContact O-N 3.13Å; Y243-T247 PolarHBondContact O-OG1 2.74Å; Y244-T247 PolarHBondContact O-N 3.49Å; R245-T247 PolarHBondContact O-N 3.18Å; T247-Y249 VanDerWaalsContact C-N 3.34Å; T247-Y249 PolarHBondContact O-N 3.31Å; T247-R250 PolarHBondContact O-N 3.08Å; T247-R250 VanDerWaalsContact O-N 3.15Å; T247-V251 WeakPolarHBondContact O-CG2 3.43Å; T247-V251 PolarHBondContact O-N 3.1Å |
| 248 | A | 64.9 | Low | 67.2 | Low | 55 Ų | 55 | 118.5 Ų | 118.5 | 46% | 0.455 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61 | -39.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y244 R245 R250 V251 | Y244-A248 PolarHBondContact O-N 3.02Å; R245-A248 PolarHBondContact O-N 3.49Å; A248-R250 VanDerWaalsContact C-N 3.27Å; A248-R250 PolarHBondContact O-N 3.39Å; A248-V251 PolarHBondContact O-N 2.79Å |
| 249 | Y | 60 | Low | 66 | Low | 186 Ų | 186 | 125.2 Ų | 125.2 | 73% | 0.729 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.3 | -15.5 | 176.5 | -75.5 | -66.3 | 0 | 0 | 0 | 114.8 | R245 T247 | R245-Y249 HydrophobicContact CB-CE2 4.47Å; R245-Y249 WeakPolarHBondContact O-CD2 3.32Å; R245-Y249 PolarHBondContact O-N 2.65Å; T247-Y249 VanDerWaalsContact C-N 3.34Å; T247-Y249 PolarHBondContact O-N 3.31Å |
| 250 | R | 59.9 | Low | 64.9 | Low | 219 Ų | 219 | 128.8 Ų | 128.8 | 83% | 0.826 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -90.2 | -13.1 | 175.8 | -80 | -174.2 | 176.4 | -169.9 | -1.2 | 113.6 | M246 T247 A248 | M246-R250 PolarHBondContact O-N 3.04Å; T247-R250 PolarHBondContact O-N 3.08Å; T247-R250 VanDerWaalsContact O-N 3.15Å; A248-R250 VanDerWaalsContact C-N 3.27Å; A248-R250 PolarHBondContact O-N 3.39Å |
| 251 | V | 59.2 | Low | 63.8 | Low | 126 Ų | 126 | 134.2 Ų | 134.2 | 76% | 0.764 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -100.1 | -14.4 | -178.2 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | T247 A248 | T247-V251 WeakPolarHBondContact O-CG2 3.43Å; T247-V251 PolarHBondContact O-N 3.1Å; A248-V251 PolarHBondContact O-N 2.79Å |
| 252 | A | 49.1 | Very low | 62.7 | Low | 140 Ų | 140 | 135.2 Ų | 135.2 | 100% | 1.157 | 66% | 0.659 | S | S | * | * | trans | -95.3 | 0 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 252 of 252 residues in 708 ms
(Link to these results)