| 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 | 43 | Very low | 61.2 | Low | 111 Ų | 111 | 96.4 Ų | 96.4 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | 0 | 152.1 | 0 | -71.8 | -159.2 | -175.1 | 0 | 0 | 109.6 | E3 R146 V148 D201 | M1-E3 PolarHBondContact O-N 3.31Å; M1-R146 VanDerWaalsContact SD-O 3.33Å; M1-V148 HydrophobicContact CE-CG2 3.73Å; M1-V148 HydrophobicContact SD-CB 4.12Å; M1-V148 HydrophobicContact SD-CG2 3.69Å; M1-D201 HydrophobicContact CE-CB 4.48Å | |||
| 2 | L | 40 | Very low | 63 | Low | 143 Ų | 143 | 91.4 Ų | 91.4 | 75% | 0.749 | 49% | 0.494 | S | S | * | . | trans | -68.8 | 106.6 | 168.8 | -99.2 | 148.6 | 0 | 0 | 0 | 107.5 | V4 | L2-V4 HydrophobicContact CB-CG2 3.83Å; L2-V4 HydrophobicContact CD2-CG2 3.68Å; L2-V4 HydrophobicContact CG-CG2 4.32Å; L2-V4 PolarHBondContact O-N 2.66Å | ||
| 3 | E | 42.7 | Very low | 64.5 | Low | 197 Ų | 197 | 84.5 Ų | 84.5 | 92% | 0.921 | 46% | 0.457 | S | S | * | . | trans | -69.6 | 70.2 | 165.2 | -78.6 | -167.2 | 160.4 | 0 | 0 | 108.7 | M1 | M1-E3 PolarHBondContact O-N 3.31Š| ||
| 4 | V | 52.6 | Low | 66 | Low | 57 Ų | 57 | 84.1 Ų | 84.1 | 35% | 0.345 | 45% | 0.449 | S | S | . | . | trans | -85.9 | 121.2 | 173.2 | 178.6 | 0 | 0 | 0 | 0 | 106.4 | L2 L6 L9 | L2-V4 HydrophobicContact CB-CG2 3.83Å; L2-V4 HydrophobicContact CD2-CG2 3.68Å; L2-V4 HydrophobicContact CG-CG2 4.32Å; L2-V4 PolarHBondContact O-N 2.66Å; V4-L6 PolarHBondContact O-N 3.12Å; V4-L9 HydrophobicContact CB-CD1 4.28Å; V4-L9 HydrophobicContact CG1-CB 3.77Å; V4-L9 HydrophobicContact CG1-CD1 3.96Å | ||
| 5 | K | 58.9 | Low | 67.3 | Low | 171 Ų | 171 | 81.6 Ų | 81.6 | 74% | 0.743 | 44% | 0.44 | S | S | * | . | trans | -51.7 | 119.4 | 167.5 | -68.5 | 179.4 | -179.7 | 174.3 | 0 | 107.1 | P7 G8 L9 | K5-P7 HydrophobicContact CB-CG 4.11Å; K5-G8 WeakPolarHBondContact O-CA 3.36Å; K5-G8 PolarHBondContact O-N 3.23Å; K5-L9 PolarHBondContact O-N 3.22Å | ||
| 6 | L | 64.6 | Low | 68.6 | Low | 40 Ų | 40 | 78.2 Ų | 78.2 | 21% | 0.209 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -38.1 | -45.5 | 175.8 | -170.4 | 69.5 | 0 | 0 | 0 | 113.4 | V4 G8 L9 V10 I73 L147 V149 | V4-L6 PolarHBondContact O-N 3.12Å; L6-G8 PolarHBondContact O-N 3.38Å; L6-L9 WeakPolarHBondContact O-CB 3.44Å; L6-L9 PolarHBondContact O-N 3.3Å; L6-V10 HydrophobicContact CG-CG2 4.36Å; L6-V10 WeakPolarHBondContact O-CB 3.49Å; L6-V10 WeakPolarHBondContact O-CG2 3.32Å; L6-V10 PolarHBondContact O-N 3.35Å; L6-I73 HydrophobicContact CD1-CG2 4.22Å; L6-L147 HydrophobicContact CD1-CD2 3.74Å; L6-V149 HydrophobicContact CD1-CG2 3.79Å; L6-V149 HydrophobicContact CD2-CG1 4.38Å; L6-V149 HydrophobicContact CD2-CG2 4.37Å |
| 7 | P | 70.6 | Confident | 69.6 | Low | 94 Ų | 94 | 73.8 Ų | 73.8 | 61% | 0.61 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -62.4 | -36.4 | 176.2 | 20.5 | -32.9 | 0 | 0 | 0 | 114.7 | K5 L9 F11 | K5-P7 HydrophobicContact CB-CG 4.11Å; P7-L9 VanDerWaalsContact C-N 3.33Å; P7-F11 VanDerWaalsContact O-CB 3.24Å; P7-F11 WeakPolarHBondContact O-CB 3.43Å; P7-F11 PolarHBondContact O-N 3.31Å |
| 8 | G | 72 | Confident | 70.7 | Confident | 44 Ų | 44 | 75.3 Ų | 75.3 | 45% | 0.454 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.4 | -33.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K5 L6 G12 | K5-G8 WeakPolarHBondContact O-CA 3.36Å; K5-G8 PolarHBondContact O-N 3.23Å; L6-G8 PolarHBondContact O-N 3.38Å; G8-G12 PolarHBondContact O-N 3.49Å |
| 9 | L | 72.2 | Confident | 71.7 | Confident | 14 Ų | 14 | 75.7 Ų | 75.7 | 7% | 0.073 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -70.1 | -49.1 | 174.2 | -166.4 | 105.8 | 0 | 0 | 0 | 112.1 | V4 K5 L6 P7 F11 G12 C13 V143 L144 L147 | V4-L9 HydrophobicContact CB-CD1 4.28Å; V4-L9 HydrophobicContact CG1-CB 3.77Å; V4-L9 HydrophobicContact CG1-CD1 3.96Å; K5-L9 PolarHBondContact O-N 3.22Å; L6-L9 WeakPolarHBondContact O-CB 3.44Å; L6-L9 PolarHBondContact O-N 3.3Å; P7-L9 VanDerWaalsContact C-N 3.33Å; L9-F11 VanDerWaalsContact C-N 3.26Å; L9-F11 PolarHBondContact O-N 3.26Å; L9-G12 PolarHBondContact O-N 3.22Å; L9-G12 VanDerWaalsContact O-N 3.15Å; L9-C13 PolarHBondContact O-N 3.17Å; L9-V143 HydrophobicContact CD1-CG1 3.16Å; L9-V143 HydrophobicContact CG-CG1 4.09Å; L9-L144 HydrophobicContact CD2-CD2 4.07Å; L9-L147 HydrophobicContact CD1-CD1 3.28Å; L9-L147 HydrophobicContact CD2-CD1 3.4Å; L9-L147 VanDerWaalsContact CD2-CD1 3.4Å; L9-L147 HydrophobicContact CD2-CD2 4.26Å; L9-L147 HydrophobicContact CD2-CG 4.48Å; L9-L147 HydrophobicContact CG-CD1 3.89Å |
| 10 | V | 76.1 | Confident | 72.6 | Confident | 36 Ų | 36 | 72 Ų | 72 | 22% | 0.218 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -53.9 | -50.4 | 175.3 | 170.8 | 0 | 0 | 0 | 0 | 108.4 | L6 G12 C13 F14 V70 | L6-V10 HydrophobicContact CG-CG2 4.36Å; L6-V10 WeakPolarHBondContact O-CB 3.49Å; L6-V10 WeakPolarHBondContact O-CG2 3.32Å; L6-V10 PolarHBondContact O-N 3.35Å; V10-G12 PolarHBondContact O-N 3.28Å; V10-C13 PolarHBondContact O-N 3.38Å; V10-F14 HydrophobicContact CG1-CD2 3.6Å; V10-F14 HydrophobicContact CG1-CE2 3.71Å; V10-F14 WeakPolarHBondContact O-CB 3.42Å; V10-F14 VanDerWaalsContact O-CD2 3.23Å; V10-F14 WeakPolarHBondContact O-CD2 3.28Å; V10-F14 PolarHBondContact O-N 3.36Å; V10-V70 HydrophobicContact CB-CG1 4.32Å; V10-V70 HydrophobicContact CG1-CG1 4.09Å; V10-V70 HydrophobicContact CG2-CG1 3.84Å |
| 11 | F | 80.8 | Confident | 73.4 | Confident | 153 Ų | 153 | 70.3 Ų | 70.3 | 67% | 0.671 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -56.2 | -50.9 | 175.5 | -173 | -97.8 | 0 | 0 | 0 | 111.9 | P7 L9 C13 F14 S15 | P7-F11 VanDerWaalsContact O-CB 3.24Å; P7-F11 WeakPolarHBondContact O-CB 3.43Å; P7-F11 PolarHBondContact O-N 3.31Å; L9-F11 VanDerWaalsContact C-N 3.26Å; L9-F11 PolarHBondContact O-N 3.26Å; F11-C13 PolarHBondContact O-N 3Å; F11-F14 PolarHBondContact O-N 3.31Å; F11-S15 WeakPolarHBondContact CE1-OG 3.46Å; F11-S15 VanDerWaalsContact O-CB 3.3Å; F11-S15 WeakPolarHBondContact O-CB 3.5Å; F11-S15 PolarHBondContact O-N 3.13Å; F11-S15 PolarHBondContact O-OG 3.44Å |
| 12 | G | 82.2 | Confident | 75.6 | Confident | 37 Ų | 37 | 69.3 Ų | 69.3 | 38% | 0.381 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.4 | -43.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G8 L9 V10 F16 | G8-G12 PolarHBondContact O-N 3.49Å; L9-G12 PolarHBondContact O-N 3.22Å; L9-G12 VanDerWaalsContact O-N 3.15Å; V10-G12 PolarHBondContact O-N 3.28Å; G12-F16 WeakPolarHBondContact O-CB 3.47Å; G12-F16 PolarHBondContact O-N 3.42Å |
| 13 | C | 83.4 | Confident | 77.9 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.014 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.9 | -43 | 177.6 | -71.5 | 0 | 0 | 0 | 0 | 112.4 | L9 V10 F11 A17 I66 V70 | L9-C13 PolarHBondContact O-N 3.17Å; V10-C13 PolarHBondContact O-N 3.38Å; F11-C13 PolarHBondContact O-N 3Å; C13-A17 WeakPolarHBondContact O-CB 3.41Å; C13-A17 PolarHBondContact O-N 3.43Å; C13-I66 HydrophobicContact CB-CG2 3.89Å; C13-V70 HydrophobicContact CB-CG2 3.85Å |
| 14 | F | 84.5 | Confident | 80.1 | Confident | 79 Ų | 79 | 55.9 Ų | 55.9 | 35% | 0.346 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.3 | -40.5 | 176.2 | -84.2 | -73.5 | 0 | 0 | 0 | 111.8 | V10 F11 F16 A17 I18 T67 V70 | V10-F14 HydrophobicContact CG1-CD2 3.6Å; V10-F14 HydrophobicContact CG1-CE2 3.71Å; V10-F14 WeakPolarHBondContact O-CB 3.42Å; V10-F14 VanDerWaalsContact O-CD2 3.23Å; V10-F14 WeakPolarHBondContact O-CD2 3.28Å; V10-F14 PolarHBondContact O-N 3.36Å; F11-F14 PolarHBondContact O-N 3.31Å; F14-F16 PolarHBondContact O-N 3.03Å; F14-A17 PolarHBondContact O-N 2.97Å; F14-I18 WeakPolarHBondContact O-CB 3.12Å; F14-I18 VanDerWaalsContact O-CG1 3.27Å; F14-I18 WeakPolarHBondContact O-CG1 3.47Å; F14-I18 PolarHBondContact O-N 3.16Å; F14-T67 HydrophobicContact CD1-CG2 4.21Å; F14-T67 HydrophobicContact CE1-CG2 3.64Å; F14-T67 HydrophobicContact CZ-CG2 4.32Å; F14-V70 HydrophobicContact CD2-CG1 4.48Å; F14-V70 HydrophobicContact CE2-CG1 3.8Å |
| 15 | S | 85.8 | Confident | 81.8 | Confident | 46 Ų | 46 | 56.5 Ų | 56.5 | 32% | 0.322 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 175.1 | -65.3 | 0 | 0 | 0 | 0 | 111.7 | F11 L19 | F11-S15 WeakPolarHBondContact CE1-OG 3.46Å; F11-S15 VanDerWaalsContact O-CB 3.3Å; F11-S15 WeakPolarHBondContact O-CB 3.5Å; F11-S15 PolarHBondContact O-N 3.13Å; F11-S15 PolarHBondContact O-OG 3.44Å; S15-L19 WeakPolarHBondContact O-CB 3.46Å; S15-L19 PolarHBondContact O-N 3.27Å |
| 16 | F | 88.2 | Confident | 83.2 | Confident | 27 Ų | 27 | 52.6 Ų | 52.6 | 12% | 0.118 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.1 | -46 | 174.6 | 173.9 | -102.9 | 0 | 0 | 0 | 111.9 | G12 F14 I18 L19 D20 I66 S132 V135 L139 | G12-F16 WeakPolarHBondContact O-CB 3.47Å; G12-F16 PolarHBondContact O-N 3.42Å; F14-F16 PolarHBondContact O-N 3.03Å; F16-I18 PolarHBondContact O-N 3Å; F16-L19 PolarHBondContact O-N 3.29Å; F16-D20 VanDerWaalsContact O-CB 3.31Å; F16-D20 WeakPolarHBondContact O-CB 3.28Å; F16-D20 PolarHBondContact O-N 3.49Å; F16-I66 HydrophobicContact CD1-CD1 3.89Å; F16-I66 HydrophobicContact CE1-CD1 3.95Å; F16-S132 WeakPolarHBondContact CZ-O 3.39Å; F16-V135 HydrophobicContact CD1-CG1 4.38Å; F16-V135 HydrophobicContact CD2-CG1 3.8Å; F16-V135 HydrophobicContact CE1-CG1 4.08Å; F16-V135 HydrophobicContact CE2-CB 3.79Å; F16-V135 HydrophobicContact CE2-CG1 3.45Å; F16-V135 VanDerWaalsContact CE2-CG1 3.45Å; F16-V135 HydrophobicContact CE2-CG2 4.34Å; F16-V135 HydrophobicContact CG-CG1 4.25Å; F16-V135 HydrophobicContact CZ-CB 3.77Å; F16-V135 HydrophobicContact CZ-CG1 3.61Å; F16-L139 HydrophobicContact CD1-CD1 3.93Å; F16-L139 HydrophobicContact CE1-CD1 4.31Å; F16-L139 HydrophobicContact CG-CD1 4.47Å |
| 17 | A | 86.5 | Confident | 84.3 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.033 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.3 | -45.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C13 F14 D20 V21 I63 | C13-A17 WeakPolarHBondContact O-CB 3.41Å; C13-A17 PolarHBondContact O-N 3.43Å; F14-A17 PolarHBondContact O-N 2.97Å; A17-D20 PolarHBondContact O-N 3.39Å; A17-V21 WeakPolarHBondContact O-CG2 3.41Å; A17-V21 PolarHBondContact O-N 3.11Å; A17-V21 VanDerWaalsContact O-N 3.15Å; A17-I63 HydrophobicContact CB-CG1 4.05Å; A17-I63 HydrophobicContact CB-CG2 4.44Å |
| 18 | I | 88.5 | Confident | 85 | Confident | 100 Ų | 100 | 47 Ų | 47 | 51% | 0.513 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 177.6 | -68.6 | 164.9 | 0 | 0 | 0 | 110.9 | F14 F16 D20 V21 I22 | F14-I18 WeakPolarHBondContact O-CB 3.12Å; F14-I18 VanDerWaalsContact O-CG1 3.27Å; F14-I18 WeakPolarHBondContact O-CG1 3.47Å; F14-I18 PolarHBondContact O-N 3.16Å; F16-I18 PolarHBondContact O-N 3Å; I18-D20 VanDerWaalsContact C-N 3.28Å; I18-D20 PolarHBondContact O-N 3.05Å; I18-V21 PolarHBondContact O-N 2.96Å; I18-I22 HydrophobicContact CG2-CD1 3.64Å; I18-I22 HydrophobicContact CG2-CG1 4.4Å; I18-I22 WeakPolarHBondContact O-CG1 3.19Å; I18-I22 PolarHBondContact O-N 3.43Å |
| 19 | L | 89.8 | Confident | 85.7 | Confident | 83 Ų | 83 | 51.4 Ų | 51.4 | 44% | 0.435 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.5 | -37.6 | 180 | -178.3 | 142.5 | 0 | 0 | 0 | 111.6 | S15 F16 I22 L23 W128 | S15-L19 WeakPolarHBondContact O-CB 3.46Å; S15-L19 PolarHBondContact O-N 3.27Å; F16-L19 PolarHBondContact O-N 3.29Å; L19-I22 PolarHBondContact O-N 3.43Å; L19-L23 HydrophobicContact CD2-CD1 3.49Å; L19-L23 VanDerWaalsContact CD2-CD1 3.49Å; L19-L23 HydrophobicContact CG-CD1 3.89Å; L19-L23 WeakPolarHBondContact O-CB 3.17Å; L19-L23 WeakPolarHBondContact O-CG 3.39Å; L19-L23 PolarHBondContact O-N 3.22Å; L19-W128 HydrophobicContact CD2-CH2 3.25Å; L19-W128 HydrophobicContact CD2-CZ2 3.52Å; L19-W128 HydrophobicContact CD2-CZ3 4.37Å |
| 20 | D | 89.5 | Confident | 86.3 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 175.4 | -175.9 | 47.2 | 0 | 0 | 0 | 113.1 | F16 A17 I18 T24 R62 W128 | F16-D20 VanDerWaalsContact O-CB 3.31Å; F16-D20 WeakPolarHBondContact O-CB 3.28Å; F16-D20 PolarHBondContact O-N 3.49Å; A17-D20 PolarHBondContact O-N 3.39Å; I18-D20 VanDerWaalsContact C-N 3.28Å; I18-D20 PolarHBondContact O-N 3.05Å; D20-T24 WeakPolarHBondContact O-CB 3.31Å; D20-T24 PolarHBondContact O-N 3.49Å; D20-T24 PolarHBondContact O-OG1 2.84Å; D20-R62 IonicContact OD1-CZ 2.94Å; D20-R62 IonicContact OD1-NH1 3.86Å; D20-R62 PolarHBondContact OD1-NH1 3.12Å; D20-R62 IonicContact OD1-NH2 3.65Å; D20-R62 PolarHBondContact OD1-NH2 3.19Å; D20-R62 IonicContact OD2-CZ 2.89Å; D20-R62 IonicContact OD2-NE 2.71Å; D20-R62 IonicContact OD2-NH1 3.28Å; D20-R62 PolarHBondContact OD2-NH1 2.89Å; D20-R62 IonicContact OD2-NH2 2.76Å; D20-R62 PolarHBondContact OD2-NH2 2.98Å; D20-W128 HydrophobicContact CB-CZ2 4.48Å; D20-W128 PolarHBondContact OD1-NE1 3.47Å |
| 21 | V | 89.4 | Confident | 86.7 | Confident | 37 Ų | 37 | 52.6 Ų | 52.6 | 22% | 0.224 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.3 | -56.2 | 171.3 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | A17 I18 L23 T24 I25 F59 I63 | A17-V21 WeakPolarHBondContact O-CG2 3.41Å; A17-V21 PolarHBondContact O-N 3.11Å; A17-V21 VanDerWaalsContact O-N 3.15Å; I18-V21 PolarHBondContact O-N 2.96Å; V21-L23 VanDerWaalsContact C-N 3.34Å; V21-L23 PolarHBondContact O-N 3.48Å; V21-T24 PolarHBondContact O-N 2.8Å; V21-I25 HydrophobicContact CG1-CD1 3.45Å; V21-I25 VanDerWaalsContact CG1-CD1 3.45Å; V21-I25 HydrophobicContact CG1-CG1 4.17Å; V21-I25 WeakPolarHBondContact O-CB 3.37Å; V21-I25 VanDerWaalsContact O-CG1 3.29Å; V21-I25 WeakPolarHBondContact O-CG1 3.33Å; V21-I25 PolarHBondContact O-N 3.33Å; V21-F59 HydrophobicContact CB-CD2 4.47Å; V21-F59 HydrophobicContact CB-CE2 4.41Å; V21-F59 HydrophobicContact CG1-CE2 4.06Å; V21-F59 HydrophobicContact CG1-CZ 4.35Å; V21-F59 HydrophobicContact CG2-CD2 3.89Å; V21-F59 HydrophobicContact CG2-CE2 3.93Å; V21-I63 HydrophobicContact CB-CD1 4.36Å; V21-I63 HydrophobicContact CG2-CD1 2.96Å; V21-I63 HydrophobicContact CG2-CG1 4.34Å |
| 22 | I | 89.5 | Confident | 86.8 | Confident | 90 Ų | 90 | 46 Ų | 46 | 46% | 0.462 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.3 | -48.3 | -170.1 | -68.1 | 170.3 | 0 | 0 | 0 | 109.4 | I18 L19 I25 L26 | I18-I22 HydrophobicContact CG2-CD1 3.64Å; I18-I22 HydrophobicContact CG2-CG1 4.4Å; I18-I22 WeakPolarHBondContact O-CG1 3.19Å; I18-I22 PolarHBondContact O-N 3.43Å; L19-I22 PolarHBondContact O-N 3.43Å; I22-I25 PolarHBondContact O-N 2.86Å; I22-L26 HydrophobicContact CG2-CD1 3.72Å; I22-L26 HydrophobicContact CG2-CG 4.39Å; I22-L26 WeakPolarHBondContact O-CB 3.43Å; I22-L26 WeakPolarHBondContact O-CG 3.46Å; I22-L26 PolarHBondContact O-N 2.82Å |
| 23 | L | 89.2 | Confident | 86.4 | Confident | 58 Ų | 58 | 50.9 Ų | 50.9 | 30% | 0.304 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65 | -43.4 | 178.8 | -76.2 | 169.8 | 0 | 0 | 0 | 112.1 | L19 V21 I25 L26 L27 W128 | L19-L23 HydrophobicContact CD2-CD1 3.49Å; L19-L23 VanDerWaalsContact CD2-CD1 3.49Å; L19-L23 HydrophobicContact CG-CD1 3.89Å; L19-L23 WeakPolarHBondContact O-CB 3.17Å; L19-L23 WeakPolarHBondContact O-CG 3.39Å; L19-L23 PolarHBondContact O-N 3.22Å; V21-L23 VanDerWaalsContact C-N 3.34Å; V21-L23 PolarHBondContact O-N 3.48Å; L23-I25 PolarHBondContact O-N 3.11Å; L23-L26 PolarHBondContact O-N 3.39Å; L23-L27 VanDerWaalsContact O-CB 3.26Å; L23-L27 WeakPolarHBondContact O-CB 3.45Å; L23-L27 WeakPolarHBondContact O-CG 3.4Å; L23-L27 PolarHBondContact O-N 3Å; L23-W128 HydrophobicContact CB-CD2 4.32Å; L23-W128 HydrophobicContact CB-CZ2 4.27Å; L23-W128 HydrophobicContact CD1-CD2 4.07Å; L23-W128 HydrophobicContact CD1-CE3 3.97Å; L23-W128 HydrophobicContact CD1-CH2 3.4Å; L23-W128 VanDerWaalsContact CD1-CH2 3.4Å; L23-W128 HydrophobicContact CD1-CZ2 3.47Å; L23-W128 VanDerWaalsContact CD1-CZ2 3.47Å; L23-W128 HydrophobicContact CD1-CZ3 3.64Å |
| 24 | T | 88.8 | Confident | 85.7 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.4 | -42.1 | -179.7 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | D20 V21 C28 F55 F59 L125 | D20-T24 WeakPolarHBondContact O-CB 3.31Å; D20-T24 PolarHBondContact O-N 3.49Å; D20-T24 PolarHBondContact O-OG1 2.84Å; V21-T24 PolarHBondContact O-N 2.8Å; T24-C28 WeakPolarHBondContact O-CB 3.29Å; T24-C28 PolarHBondContact O-N 2.65Å; T24-C28 PolarHBondContact O-SG 3.16Å; T24-F55 HydrophobicContact CG2-CB 4.08Å; T24-F59 HydrophobicContact CG2-CD1 3.67Å; T24-F59 HydrophobicContact CG2-CE1 4.4Å; T24-L125 HydrophobicContact CG2-CD1 4.02Å |
| 25 | I | 87.4 | Confident | 85 | Confident | 69 Ų | 69 | 48.7 Ų | 48.7 | 35% | 0.354 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65 | -47.5 | 177.4 | -67.6 | 178.4 | 0 | 0 | 0 | 111 | V21 I22 L23 L27 C28 Y29 F56 F59 | V21-I25 HydrophobicContact CG1-CD1 3.45Å; V21-I25 VanDerWaalsContact CG1-CD1 3.45Å; V21-I25 HydrophobicContact CG1-CG1 4.17Å; V21-I25 WeakPolarHBondContact O-CB 3.37Å; V21-I25 VanDerWaalsContact O-CG1 3.29Å; V21-I25 WeakPolarHBondContact O-CG1 3.33Å; V21-I25 PolarHBondContact O-N 3.33Å; I22-I25 PolarHBondContact O-N 2.86Å; L23-I25 PolarHBondContact O-N 3.11Å; I25-L27 VanDerWaalsContact C-N 3.34Å; I25-L27 PolarHBondContact O-N 3.29Å; I25-C28 PolarHBondContact O-N 3.26Å; I25-Y29 WeakPolarHBondContact O-CB 3.28Å; I25-Y29 PolarHBondContact O-N 2.92Å; I25-F56 HydrophobicContact CD1-CE1 4.4Å; I25-F56 HydrophobicContact CG1-CE1 3.81Å; I25-F56 HydrophobicContact CG1-CZ 4.22Å; I25-F59 HydrophobicContact CD1-CZ 4.33Å; I25-F59 HydrophobicContact CG1-CE1 4.15Å; I25-F59 HydrophobicContact CG1-CZ 4.26Å |
| 26 | L | 87.6 | Confident | 84.4 | Confident | 90 Ų | 90 | 50.2 Ų | 50.2 | 47% | 0.471 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 178.9 | -73.7 | 172.1 | 0 | 0 | 0 | 111.5 | I22 L23 Y29 Q30 | I22-L26 HydrophobicContact CG2-CD1 3.72Å; I22-L26 HydrophobicContact CG2-CG 4.39Å; I22-L26 WeakPolarHBondContact O-CB 3.43Å; I22-L26 WeakPolarHBondContact O-CG 3.46Å; I22-L26 PolarHBondContact O-N 2.82Å; L23-L26 PolarHBondContact O-N 3.39Å; L26-Y29 PolarHBondContact O-N 3.05Å; L26-Q30 WeakPolarHBondContact O-CG 3.18Å; L26-Q30 PolarHBondContact O-N 3.23Å |
| 27 | L | 88.4 | Confident | 83.7 | Confident | 16 Ų | 16 | 53.9 Ų | 53.9 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 178.4 | -70.6 | 171.7 | 0 | 0 | 0 | 111.5 | L23 I25 Q30 T31 W121 L124 L125 W128 | L23-L27 VanDerWaalsContact O-CB 3.26Å; L23-L27 WeakPolarHBondContact O-CB 3.45Å; L23-L27 WeakPolarHBondContact O-CG 3.4Å; L23-L27 PolarHBondContact O-N 3Å; I25-L27 VanDerWaalsContact C-N 3.34Å; I25-L27 PolarHBondContact O-N 3.29Å; L27-Q30 PolarHBondContact O-N 3.16Å; L27-T31 WeakPolarHBondContact O-CB 3.46Å; L27-T31 PolarHBondContact O-N 2.81Å; L27-T31 PolarHBondContact O-OG1 3.13Å; L27-W121 HydrophobicContact CD2-CE3 3.87Å; L27-W121 HydrophobicContact CD2-CZ3 4.39Å; L27-L124 HydrophobicContact CD2-CB 3.78Å; L27-L124 HydrophobicContact CD2-CD1 4.45Å; L27-L125 HydrophobicContact CB-CB 4.15Å; L27-L125 HydrophobicContact CB-CD1 3.86Å; L27-L125 HydrophobicContact CD1-CD1 4.42Å; L27-W128 HydrophobicContact CD1-CB 3.94Å; L27-W128 HydrophobicContact CD1-CG 4.18Å |
| 28 | C | 86.2 | Confident | 83 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 175.3 | -70.6 | 0 | 0 | 0 | 0 | 111.7 | T24 I25 Q30 T31 E32 F35 V52 F56 | T24-C28 WeakPolarHBondContact O-CB 3.29Å; T24-C28 PolarHBondContact O-N 2.65Å; T24-C28 PolarHBondContact O-SG 3.16Å; I25-C28 PolarHBondContact O-N 3.26Å; C28-Q30 VanDerWaalsContact C-N 3.31Å; C28-Q30 PolarHBondContact O-N 2.8Å; C28-T31 PolarHBondContact O-N 3.44Å; C28-T31 VanDerWaalsContact O-N 3.15Å; C28-E32 PolarHBondContact O-N 2.87Å; C28-F35 HydrophobicContact CB-CE2 4.14Å; C28-F35 HydrophobicContact CB-CZ 4.31Å; C28-F35 WeakPolarHBondContact O-CD2 3.01Å; C28-V52 HydrophobicContact CB-CG2 4.17Å; C28-F56 HydrophobicContact CB-CE2 3.62Å; C28-F56 HydrophobicContact CB-CZ 4.18Å |
| 29 | Y | 85.6 | Confident | 82.2 | Confident | 136 Ų | 136 | 55.4 Ų | 55.4 | 53% | 0.533 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.6 | -40 | 178.4 | -174.9 | -91.7 | 0 | 0 | 0 | 112.4 | I25 L26 F35 | I25-Y29 WeakPolarHBondContact O-CB 3.28Å; I25-Y29 PolarHBondContact O-N 2.92Å; L26-Y29 PolarHBondContact O-N 3.05Å; Y29-F35 HydrophobicContact CD2-CB 3.76Å; Y29-F35 HydrophobicContact CE2-CB 4.26Å |
| 30 | Q | 85.6 | Confident | 81.5 | Confident | 75 Ų | 75 | 54.4 Ų | 54.4 | 35% | 0.35 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -77.5 | -23.9 | 177.4 | -71.1 | 176.2 | -22 | 0 | 0 | 113.3 | L26 L27 C28 W121 | L26-Q30 WeakPolarHBondContact O-CG 3.18Å; L26-Q30 PolarHBondContact O-N 3.23Å; L27-Q30 PolarHBondContact O-N 3.16Å; C28-Q30 VanDerWaalsContact C-N 3.31Å; C28-Q30 PolarHBondContact O-N 2.8Å; Q30-W121 HydrophobicContact CB-CB 4.17Å; Q30-W121 HydrophobicContact CB-CD2 3.74Å; Q30-W121 HydrophobicContact CB-CE3 4.32Å; Q30-W121 HydrophobicContact CB-CG 3.65Å; Q30-W121 HydrophobicContact CG-CD2 4.44Å; Q30-W121 VanDerWaalsContact O-CD1 3.24Å; Q30-W121 VanDerWaalsContact OE1-CD2 3.32Å |
| 31 | T | 84.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -79.1 | -49.1 | -179.6 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | L27 C28 V52 V117 N118 W121 F122 | L27-T31 WeakPolarHBondContact O-CB 3.46Å; L27-T31 PolarHBondContact O-N 2.81Å; L27-T31 PolarHBondContact O-OG1 3.13Å; C28-T31 PolarHBondContact O-N 3.44Å; C28-T31 VanDerWaalsContact O-N 3.15Å; T31-V52 HydrophobicContact CG2-CG1 3.92Å; T31-V52 HydrophobicContact CG2-CG2 4.44Å; T31-V117 HydrophobicContact CG2-CG1 3.96Å; T31-V117 CarbonylContact O-C 3.52Å; T31-V117 WeakPolarHBondContact O-CA 3.38Å; T31-N118 PolarHBondContact O-N 2.74Å; T31-W121 VanDerWaalsContact OG1-C 3.3Å; T31-W121 WeakPolarHBondContact OG1-CB 3.47Å; T31-F122 HydrophobicContact CG2-CB 3.75Å; T31-F122 HydrophobicContact CG2-CD2 4.02Å; T31-F122 HydrophobicContact CG2-CG 4.4Å; T31-F122 PolarHBondContact OG1-N 3.4Å |
| 32 | E | 81.4 | Confident | 79.8 | Confident | 15 Ų | 15 | 55.4 Ų | 55.4 | 7% | 0.07 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -111.6 | 111.2 | -175.7 | 172.9 | 175.8 | -173.6 | 0 | 0 | 109.9 | C28 A34 F35 S51 V52 | C28-E32 PolarHBondContact O-N 2.87Å; E32-A34 HydrophobicContact CG-CB 3.94Å; E32-A34 PolarHBondContact O-N 2.81Å; E32-A34 VanDerWaalsContact O-N 3.14Å; E32-F35 HydrophobicContact CB-CD2 3.75Å; E32-F35 HydrophobicContact CB-CE2 3.94Å; E32-F35 HydrophobicContact CG-CD2 4.07Å; E32-F35 HydrophobicContact CG-CE2 4.27Å; E32-F35 WeakPolarHBondContact O-CD2 3.02Å; E32-F35 PolarHBondContact O-N 2.8Å; E32-F35 VanDerWaalsContact O-N 3.1Å; E32-S51 WeakPolarHBondContact OE2-CA 3.26Å; E32-S51 PolarHBondContact OE2-OG 3.28Å; E32-S51 VanDerWaalsContact OE2-OG 3.12Å; E32-V52 HydrophobicContact CB-CG2 3.83Å; E32-V52 WeakPolarHBondContact OE2-CG2 3.27Å; E32-V52 PolarHBondContact OE2-N 2.85Å |
| 33 | Q | 75 | Confident | 79.2 | Confident | 139 Ų | 139 | 59.2 Ų | 59.2 | 65% | 0.65 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -57.9 | -30.5 | -179.2 | -74.7 | -177 | -11.9 | 0 | 0 | 112.5 | F35 S36 G116 | Q33-F35 PolarHBondContact O-N 3.02Å; Q33-S36 WeakPolarHBondContact O-CB 3.05Å; Q33-S36 PolarHBondContact O-N 2.89Å; Q33-S36 PolarHBondContact O-OG 2.96Å; Q33-G116 PolarHBondContact N-O 3.43Å; Q33-G116 VanDerWaalsContact N-O 3.09Å |
| 34 | A | 67.3 | Low | 78.6 | Confident | 21 Ų | 21 | 59.7 Ų | 59.7 | 17% | 0.174 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -59.7 | -16.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E32 S36 D37 V42 | E32-A34 HydrophobicContact CG-CB 3.94Å; E32-A34 PolarHBondContact O-N 2.81Å; E32-A34 VanDerWaalsContact O-N 3.14Å; A34-S36 PolarHBondContact O-N 2.91Å; A34-D37 PolarHBondContact O-N 3.37Å; A34-D37 VanDerWaalsContact O-N 3.11Å; A34-V42 HydrophobicContact CB-CG2 3.99Å; A34-V42 WeakPolarHBondContact O-CG2 3.18Å |
| 35 | F | 71.8 | Confident | 77.8 | Confident | 15 Ų | 15 | 68 Ų | 68 | 7% | 0.066 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -63.1 | -24.2 | 170 | -82 | -77.9 | 0 | 0 | 0 | 113.2 | C28 Y29 E32 Q33 D37 G38 I39 V42 V52 F56 | C28-F35 HydrophobicContact CB-CE2 4.14Å; C28-F35 HydrophobicContact CB-CZ 4.31Å; C28-F35 WeakPolarHBondContact O-CD2 3.01Å; Y29-F35 HydrophobicContact CD2-CB 3.76Å; Y29-F35 HydrophobicContact CE2-CB 4.26Å; E32-F35 HydrophobicContact CB-CD2 3.75Å; E32-F35 HydrophobicContact CB-CE2 3.94Å; E32-F35 HydrophobicContact CG-CD2 4.07Å; E32-F35 HydrophobicContact CG-CE2 4.27Å; E32-F35 WeakPolarHBondContact O-CD2 3.02Å; E32-F35 PolarHBondContact O-N 2.8Å; E32-F35 VanDerWaalsContact O-N 3.1Å; Q33-F35 PolarHBondContact O-N 3.02Å; F35-D37 PolarHBondContact O-N 3Å; F35-G38 PolarHBondContact O-N 3.44Å; F35-I39 HydrophobicContact CD1-CG1 4.24Å; F35-I39 HydrophobicContact CE1-CG1 4.37Å; F35-V42 HydrophobicContact CD1-CG2 4.17Å; F35-V42 HydrophobicContact CD2-CG2 4.48Å; F35-V42 HydrophobicContact CE1-CG1 4.42Å; F35-V42 HydrophobicContact CE1-CG2 4.39Å; F35-V42 HydrophobicContact CE2-CG1 4.34Å; F35-V42 HydrophobicContact CG-CG2 4.21Å; F35-V42 HydrophobicContact CZ-CG1 4.09Å; F35-V52 HydrophobicContact CE2-CG2 3.75Å; F35-F56 AromaticContact CE1-CE2 3.84Å; F35-F56 HydrophobicContact CE1-CE2 3.84Å; F35-F56 AromaticContact CE1-CZ 3.95Å; F35-F56 HydrophobicContact CE1-CZ 3.95Å; F35-F56 AromaticContact CZ-CE2 3.64Å; F35-F56 HydrophobicContact CZ-CE2 3.64Å; F35-F56 HydrophobicContact CZ-CZ 4.21Å |
| 36 | S | 72.9 | Confident | 77.4 | Confident | 78 Ų | 78 | 69.2 Ų | 69.2 | 55% | 0.545 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -63.7 | -29.6 | 172.8 | 65.6 | 0 | 0 | 0 | 0 | 112.5 | Q33 A34 G38 | Q33-S36 WeakPolarHBondContact O-CB 3.05Å; Q33-S36 PolarHBondContact O-N 2.89Å; Q33-S36 PolarHBondContact O-OG 2.96Å; A34-S36 PolarHBondContact O-N 2.91Å; S36-G38 PolarHBondContact O-N 2.67Å |
| 37 | D | 72.5 | Confident | 77 | Confident | 103 Ų | 103 | 68.1 Ų | 68.1 | 55% | 0.551 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -83.1 | -3.5 | -178 | -57.8 | -14.4 | 0 | 0 | 0 | 112.2 | A34 F35 V41 | A34-D37 PolarHBondContact O-N 3.37Å; A34-D37 VanDerWaalsContact O-N 3.11Å; F35-D37 PolarHBondContact O-N 3Å; D37-V41 HydrophobicContact CB-CB 4.35Å; D37-V41 HydrophobicContact CB-CG1 4.38Å; D37-V41 HydrophobicContact CB-CG2 4.33Å; D37-V41 WeakPolarHBondContact O-CG2 3.23Å |
| 38 | G | 72.4 | Confident | 76.5 | Confident | 30 Ų | 30 | 71 Ų | 71 | 31% | 0.309 | 38% | 0.378 | S | S | . | . | trans | 101.9 | 146 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F35 S36 G40 V41 V42 | F35-G38 PolarHBondContact O-N 3.44Å; S36-G38 PolarHBondContact O-N 2.67Å; G38-G40 PolarHBondContact O-N 3.14Å; G38-G40 VanDerWaalsContact O-N 3.13Å; G38-V41 WeakPolarHBondContact O-CB 3.37Å; G38-V41 PolarHBondContact O-N 3.38Å; G38-V42 PolarHBondContact O-N 3.44Å | ||
| 39 | I | 72 | Confident | 76.1 | Confident | 106 Ų | 106 | 74.9 Ų | 74.9 | 54% | 0.544 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -56.5 | -33.5 | -176.4 | -63.6 | 171.4 | 0 | 0 | 0 | 112.4 | F35 V41 V42 Y43 | F35-I39 HydrophobicContact CD1-CG1 4.24Å; F35-I39 HydrophobicContact CE1-CG1 4.37Å; I39-V41 VanDerWaalsContact C-N 3.3Å; I39-V41 PolarHBondContact O-N 2.82Å; I39-V42 PolarHBondContact O-N 2.91Å; I39-Y43 PolarHBondContact O-N 3.26Å |
| 40 | G | 75.1 | Confident | 75.5 | Confident | 63 Ų | 63 | 70.2 Ų | 70.2 | 65% | 0.649 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.4 | -33.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G38 G44 | G38-G40 PolarHBondContact O-N 3.14Å; G38-G40 VanDerWaalsContact O-N 3.13Å; G40-G44 PolarHBondContact O-N 3.05Å; G40-G44 VanDerWaalsContact O-N 3.12Å |
| 41 | V | 72 | Confident | 75.3 | Confident | 57 Ų | 57 | 66.7 Ų | 66.7 | 35% | 0.345 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -72.2 | -42.6 | 176.9 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | D37 G38 I39 Y43 G44 R45 | D37-V41 HydrophobicContact CB-CB 4.35Å; D37-V41 HydrophobicContact CB-CG1 4.38Å; D37-V41 HydrophobicContact CB-CG2 4.33Å; D37-V41 WeakPolarHBondContact O-CG2 3.23Å; G38-V41 WeakPolarHBondContact O-CB 3.37Å; G38-V41 PolarHBondContact O-N 3.38Å; I39-V41 VanDerWaalsContact C-N 3.3Å; I39-V41 PolarHBondContact O-N 2.82Å; V41-Y43 VanDerWaalsContact C-N 3.35Å; V41-Y43 PolarHBondContact O-N 3Å; V41-G44 PolarHBondContact O-N 2.8Å; V41-R45 PolarHBondContact O-N 2.74Å |
| 42 | V | 70.9 | Confident | 75.3 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.006 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 175.9 | -177.8 | 0 | 0 | 0 | 0 | 110.7 | A34 F35 G38 I39 G44 R45 Y46 S51 L53 | A34-V42 HydrophobicContact CB-CG2 3.99Å; A34-V42 WeakPolarHBondContact O-CG2 3.18Å; F35-V42 HydrophobicContact CD1-CG2 4.17Å; F35-V42 HydrophobicContact CD2-CG2 4.48Å; F35-V42 HydrophobicContact CE1-CG1 4.42Å; F35-V42 HydrophobicContact CE1-CG2 4.39Å; F35-V42 HydrophobicContact CE2-CG1 4.34Å; F35-V42 HydrophobicContact CG-CG2 4.21Å; F35-V42 HydrophobicContact CZ-CG1 4.09Å; G38-V42 PolarHBondContact O-N 3.44Å; I39-V42 PolarHBondContact O-N 2.91Å; V42-G44 PolarHBondContact O-N 3.41Å; V42-R45 CarbonylContact O-C 3.41Å; V42-R45 PolarHBondContact O-N 3.21Å; V42-Y46 PolarHBondContact O-N 3.27Å; V42-Y46 VanDerWaalsContact O-N 3.15Å; V42-S51 WeakPolarHBondContact CG1-OG 3.21Å; V42-L53 HydrophobicContact CB-CD1 4.4Å; V42-L53 HydrophobicContact CG1-CB 4.23Å; V42-L53 HydrophobicContact CG1-CD1 3.91Å |
| 43 | Y | 77.1 | Confident | 75.4 | Confident | 171 Ų | 171 | 67.2 Ų | 67.2 | 67% | 0.671 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.9 | -42.3 | 176.8 | -174.4 | -97.7 | 0 | 0 | 0 | 112.5 | I39 V41 R45 Y46 L53 | I39-Y43 PolarHBondContact O-N 3.26Å; V41-Y43 VanDerWaalsContact C-N 3.35Å; V41-Y43 PolarHBondContact O-N 3Å; Y43-R45 PolarHBondContact O-N 2.93Å; Y43-Y46 WeakPolarHBondContact O-CB 3.23Å; Y43-Y46 PolarHBondContact O-N 3.21Å; Y43-L53 HydrophobicContact CD2-CD1 4.33Å |
| 44 | G | 76.3 | Confident | 75.9 | Confident | 68 Ų | 68 | 61.1 Ų | 61.1 | 70% | 0.701 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.5 | -22.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G40 V41 V42 | G40-G44 PolarHBondContact O-N 3.05Å; G40-G44 VanDerWaalsContact O-N 3.12Å; V41-G44 PolarHBondContact O-N 2.8Å; V42-G44 PolarHBondContact O-N 3.41Å |
| 45 | R | 72.2 | Confident | 76.8 | Confident | 176 Ų | 176 | 60.1 Ų | 60.1 | 66% | 0.664 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | 14.5 | 178.1 | -67 | -175.2 | 177.3 | 173.2 | 2 | 113.3 | V41 V42 Y43 T47 | V41-R45 PolarHBondContact O-N 2.74Å; V42-R45 CarbonylContact O-C 3.41Å; V42-R45 PolarHBondContact O-N 3.21Å; Y43-R45 PolarHBondContact O-N 2.93Å; R45-T47 PolarHBondContact O-N 2.7Å; R45-T47 VanDerWaalsContact O-N 3.13Å |
| 46 | Y | 78.3 | Confident | 77.5 | Confident | 94 Ų | 94 | 61.7 Ų | 61.7 | 37% | 0.369 | 34% | 0.341 | S | S | . | . | trans | -62.4 | 119.5 | -174.9 | 173.3 | -95.1 | 0 | 0 | 0 | 111.1 | V42 Y43 L53 D54 | V42-Y46 PolarHBondContact O-N 3.27Å; V42-Y46 VanDerWaalsContact O-N 3.15Å; Y43-Y46 WeakPolarHBondContact O-CB 3.23Å; Y43-Y46 PolarHBondContact O-N 3.21Å; Y46-L53 HydrophobicContact CD2-CB 4.23Å; Y46-D54 WeakPolarHBondContact CE2-OD1 3.31Å; Y46-D54 PolarHBondContact OH-OD1 2.88Å; Y46-D54 PolarHBondContact OH-OD2 3.13Å; Y46-D54 VanDerWaalsContact OH-OD2 3.06Å | ||
| 47 | T | 78.5 | Confident | 78.1 | Confident | 67 Ų | 67 | 62.6 Ų | 62.6 | 41% | 0.411 | 34% | 0.339 | S | S | . | . | trans | -132.6 | 151 | 158.7 | 78.1 | 0 | 0 | 0 | 0 | 108.8 | R45 Q49 S50 S51 | R45-T47 PolarHBondContact O-N 2.7Å; R45-T47 VanDerWaalsContact O-N 3.13Å; T47-Q49 PolarHBondContact O-N 3.4Å; T47-Q49 VanDerWaalsContact O-N 3.12Å; T47-Q49 PolarHBondContact OG1-N 2.87Å; T47-S50 PolarHBondContact O-N 3.46Å; T47-S50 VanDerWaalsContact O-N 3.13Å; T47-S50 VanDerWaalsContact OG1-CB 3.25Å; T47-S50 WeakPolarHBondContact OG1-CB 3.42Å; T47-S50 PolarHBondContact OG1-N 3.42Å; T47-S50 VanDerWaalsContact OG1-N 3.11Å; T47-S50 PolarHBondContact OG1-OG 2.79Å; T47-S51 PolarHBondContact O-N 2.95Å; T47-S51 VanDerWaalsContact O-N 3.12Å | ||
| 48 | F | 78.1 | Confident | 78.8 | Confident | 77 Ų | 77 | 58.6 Ų | 58.6 | 34% | 0.338 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -26.2 | 177.3 | -178.7 | -98.3 | 0 | 0 | 0 | 112.4 | F101 M104 K105 | F48-F101 AromaticContact CE2-CE2 3.82Å; F48-F101 HydrophobicContact CE2-CE2 3.82Å; F48-F101 AromaticContact CE2-CZ 3.91Å; F48-F101 HydrophobicContact CE2-CZ 3.91Å; F48-M104 HydrophobicContact CZ-CB 4.42Å; F48-K105 HydrophobicContact CD2-CD 4.23Å; F48-K105 HydrophobicContact CE2-CD 3.86Å; F48-K105 HydrophobicContact CZ-CD 4.06Å; F48-K105 WeakPolarHBondContact O-CE 3.34Å; F48-K105 PolarHBondContact O-NZ 3.25Å |
| 49 | Q | 77.8 | Confident | 79.6 | Confident | 81 Ų | 81 | 58.3 Ų | 58.3 | 38% | 0.379 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -14.8 | -179.2 | -67.4 | 172.1 | -29.4 | 0 | 0 | 113.7 | T47 L109 H112 | T47-Q49 PolarHBondContact O-N 3.4Å; T47-Q49 VanDerWaalsContact O-N 3.12Å; T47-Q49 PolarHBondContact OG1-N 2.87Å; Q49-L109 VanDerWaalsContact O-CD2 3.27Å; Q49-L109 WeakPolarHBondContact O-CD2 3.35Å; Q49-H112 HydrophobicContact CB-CB 4.46Å; Q49-H112 VanDerWaalsContact CD-CD2 3.43Å; Q49-H112 PolarHBondContact NE2-CD2 3Å; Q49-H112 PolarHBondContact OE1-CD2 2.92Å |
| 50 | S | 73.7 | Confident | 80.3 | Confident | 37 Ų | 37 | 55.6 Ų | 55.6 | 26% | 0.259 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | -27 | -172.4 | 68.2 | 0 | 0 | 0 | 0 | 116 | T47 | T47-S50 PolarHBondContact O-N 3.46Å; T47-S50 VanDerWaalsContact O-N 3.13Å; T47-S50 VanDerWaalsContact OG1-CB 3.25Å; T47-S50 WeakPolarHBondContact OG1-CB 3.42Å; T47-S50 PolarHBondContact OG1-N 3.42Å; T47-S50 VanDerWaalsContact OG1-N 3.11Å; T47-S50 PolarHBondContact OG1-OG 2.79Å |
| 51 | S | 82.1 | Confident | 80.9 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | trans | -115.7 | 144.8 | -171.5 | -179.6 | 0 | 0 | 0 | 0 | 112.8 | E32 V42 T47 L53 K105 | E32-S51 WeakPolarHBondContact OE2-CA 3.26Å; E32-S51 PolarHBondContact OE2-OG 3.28Å; E32-S51 VanDerWaalsContact OE2-OG 3.12Å; V42-S51 WeakPolarHBondContact CG1-OG 3.21Å; T47-S51 PolarHBondContact O-N 2.95Å; T47-S51 VanDerWaalsContact O-N 3.12Å; S51-L53 WeakPolarHBondContact OG-CB 3.46Å; S51-L53 PolarHBondContact OG-N 2.79Å; S51-K105 WeakPolarHBondContact O-CE 3.43Å; S51-K105 PolarHBondContact O-NZ 3.21Å | ||
| 52 | V | 83.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -93.6 | 8.2 | 174.2 | -61.8 | 0 | 0 | 0 | 0 | 113.6 | C28 T31 E32 F35 D54 F55 L109 F122 L125 | C28-V52 HydrophobicContact CB-CG2 4.17Å; T31-V52 HydrophobicContact CG2-CG1 3.92Å; T31-V52 HydrophobicContact CG2-CG2 4.44Å; E32-V52 HydrophobicContact CB-CG2 3.83Å; E32-V52 WeakPolarHBondContact OE2-CG2 3.27Å; E32-V52 PolarHBondContact OE2-N 2.85Å; F35-V52 HydrophobicContact CE2-CG2 3.75Å; V52-D54 PolarHBondContact O-N 3.39Å; V52-F55 HydrophobicContact CB-CD2 4.15Å; V52-F55 WeakPolarHBondContact O-CD2 3.48Å; V52-F55 PolarHBondContact O-N 2.8Å; V52-F55 VanDerWaalsContact O-N 3.11Å; V52-L109 HydrophobicContact CG1-CD1 4.49Å; V52-F122 HydrophobicContact CG1-CD2 3.96Å; V52-F122 HydrophobicContact CG1-CE2 4.07Å; V52-L125 HydrophobicContact CB-CD2 4.33Å | ||
| 53 | L | 84 | Confident | 82.6 | Confident | 26 Ų | 26 | 54 Ų | 54 | 14% | 0.136 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -28.6 | -178.9 | -169.5 | 148.7 | 0 | 0 | 0 | 113.2 | V42 Y43 Y46 S51 F55 F56 | V42-L53 HydrophobicContact CB-CD1 4.4Å; V42-L53 HydrophobicContact CG1-CB 4.23Å; V42-L53 HydrophobicContact CG1-CD1 3.91Å; Y43-L53 HydrophobicContact CD2-CD1 4.33Å; Y46-L53 HydrophobicContact CD2-CB 4.23Å; S51-L53 WeakPolarHBondContact OG-CB 3.46Å; S51-L53 PolarHBondContact OG-N 2.79Å; L53-F55 PolarHBondContact O-N 2.81Å; L53-F56 VanDerWaalsContact O-CB 3.28Å; L53-F56 WeakPolarHBondContact O-CB 3.49Å; L53-F56 WeakPolarHBondContact O-CD2 3.46Å; L53-F56 PolarHBondContact O-N 3.37Å |
| 54 | D | 84.9 | Confident | 83.2 | Confident | 11 Ų | 11 | 49.7 Ų | 49.7 | 6% | 0.059 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.4 | -30.7 | 178.1 | -63.5 | -42.1 | 0 | 0 | 0 | 114.8 | Y46 V52 F56 I57 L58 F101 K105 | Y46-D54 WeakPolarHBondContact CE2-OD1 3.31Å; Y46-D54 PolarHBondContact OH-OD1 2.88Å; Y46-D54 PolarHBondContact OH-OD2 3.13Å; Y46-D54 VanDerWaalsContact OH-OD2 3.06Å; V52-D54 PolarHBondContact O-N 3.39Å; D54-F56 PolarHBondContact O-N 3.12Å; D54-F56 VanDerWaalsContact O-N 3.17Å; D54-I57 WeakPolarHBondContact O-CB 3.42Å; D54-I57 PolarHBondContact O-N 3.25Å; D54-L58 PolarHBondContact O-N 3.22Å; D54-F101 HydrophobicContact CB-CE1 3.72Å; D54-F101 HydrophobicContact CB-CE2 4.19Å; D54-F101 HydrophobicContact CB-CZ 3.24Å; D54-K105 IonicContact OD2-NZ 2.71Å; D54-K105 PolarHBondContact OD2-NZ 3.07Å |
| 55 | F | 86.6 | Confident | 83.7 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.1 | -22.8 | 178.2 | -76.9 | -85.6 | 0 | 0 | 0 | 111.9 | T24 V52 L53 I57 L58 F59 F101 K105 F122 L125 N129 | T24-F55 HydrophobicContact CG2-CB 4.08Å; V52-F55 HydrophobicContact CB-CD2 4.15Å; V52-F55 WeakPolarHBondContact O-CD2 3.48Å; V52-F55 PolarHBondContact O-N 2.8Å; V52-F55 VanDerWaalsContact O-N 3.11Å; L53-F55 PolarHBondContact O-N 2.81Å; F55-I57 VanDerWaalsContact C-N 3.33Å; F55-L58 HydrophobicContact CD1-CD1 4.09Å; F55-L58 HydrophobicContact CE1-CD1 4.49Å; F55-L58 PolarHBondContact O-N 2.94Å; F55-F59 WeakPolarHBondContact O-CD1 3.47Å; F55-F59 PolarHBondContact O-N 2.74Å; F55-F101 HydrophobicContact CE2-CE1 4.48Å; F55-K105 HydrophobicContact CE2-CG 3.95Å; F55-K105 HydrophobicContact CZ-CG 4.41Å; F55-F122 AromaticContact CE2-CE2 3.97Å; F55-F122 HydrophobicContact CE2-CE2 3.97Å; F55-F122 HydrophobicContact CZ-CE2 4.34Å; F55-L125 HydrophobicContact CB-CD1 4.41Å; F55-L125 HydrophobicContact CB-CD2 4.44Å; F55-L125 HydrophobicContact CD1-CD1 4.12Å; F55-L125 HydrophobicContact CD1-CD2 4.27Å; F55-L125 HydrophobicContact CD1-CG 3.99Å; F55-L125 HydrophobicContact CD2-CD2 3.55Å; F55-L125 HydrophobicContact CD2-CG 4.17Å; F55-L125 HydrophobicContact CE1-CD2 4.41Å; F55-L125 HydrophobicContact CE1-CG 4.02Å; F55-L125 HydrophobicContact CE2-CD2 3.71Å; F55-L125 HydrophobicContact CE2-CG 4.2Å; F55-L125 HydrophobicContact CG-CD1 4.18Å; F55-L125 HydrophobicContact CG-CD2 3.84Å; F55-L125 HydrophobicContact CG-CG 4.06Å; F55-L125 HydrophobicContact CZ-CD2 4.16Å; F55-L125 HydrophobicContact CZ-CG 4.13Å; F55-N129 HydrophobicContact CD1-CB 4.17Å; F55-N129 HydrophobicContact CE1-CB 3.85Å |
| 56 | F | 85.4 | Confident | 84.4 | Confident | 48 Ų | 48 | 39.6 Ų | 39.6 | 21% | 0.211 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.7 | -40 | 173.3 | -74.8 | -108.6 | 0 | 0 | 0 | 112.3 | I25 C28 F35 L53 D54 L58 F59 A60 | I25-F56 HydrophobicContact CD1-CE1 4.4Å; I25-F56 HydrophobicContact CG1-CE1 3.81Å; I25-F56 HydrophobicContact CG1-CZ 4.22Å; C28-F56 HydrophobicContact CB-CE2 3.62Å; C28-F56 HydrophobicContact CB-CZ 4.18Å; F35-F56 AromaticContact CE1-CE2 3.84Å; F35-F56 HydrophobicContact CE1-CE2 3.84Å; F35-F56 AromaticContact CE1-CZ 3.95Å; F35-F56 HydrophobicContact CE1-CZ 3.95Å; F35-F56 AromaticContact CZ-CE2 3.64Å; F35-F56 HydrophobicContact CZ-CE2 3.64Å; F35-F56 HydrophobicContact CZ-CZ 4.21Å; L53-F56 VanDerWaalsContact O-CB 3.28Å; L53-F56 WeakPolarHBondContact O-CB 3.49Å; L53-F56 WeakPolarHBondContact O-CD2 3.46Å; L53-F56 PolarHBondContact O-N 3.37Å; D54-F56 PolarHBondContact O-N 3.12Å; D54-F56 VanDerWaalsContact O-N 3.17Å; F56-L58 VanDerWaalsContact C-N 3.3Å; F56-L58 PolarHBondContact O-N 3.44Å; F56-F59 VanDerWaalsContact CA-CD1 3.48Å; F56-F59 HydrophobicContact CB-CD1 4.41Å; F56-F59 HydrophobicContact CB-CE1 3.81Å; F56-F59 HydrophobicContact CB-CZ 4.46Å; F56-F59 AromaticContact CD1-CE1 3.46Å; F56-F59 HydrophobicContact CD1-CE1 3.46Å; F56-F59 VanDerWaalsContact CD1-CE1 3.46Å; F56-F59 AromaticContact CD1-CZ 3.82Å; F56-F59 HydrophobicContact CD1-CZ 3.82Å; F56-F59 HydrophobicContact CE1-CE1 4.15Å; F56-F59 HydrophobicContact CE1-CZ 4.49Å; F56-F59 AromaticContact CG-CE1 3.72Å; F56-F59 HydrophobicContact CG-CE1 3.72Å; F56-F59 HydrophobicContact CG-CZ 4.43Å; F56-F59 WeakPolarHBondContact O-CD1 3.04Å; F56-A60 VanDerWaalsContact O-CB 3.25Å; F56-A60 WeakPolarHBondContact O-CB 3.42Å; F56-A60 PolarHBondContact O-N 2.81Å |
| 57 | I | 86.3 | Confident | 84.8 | Confident | 97 Ų | 97 | 36.6 Ų | 36.6 | 50% | 0.497 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.7 | -41.5 | 178.1 | -57.9 | 172.7 | 0 | 0 | 0 | 109.4 | D54 F55 A60 V61 | D54-I57 WeakPolarHBondContact O-CB 3.42Å; D54-I57 PolarHBondContact O-N 3.25Å; F55-I57 VanDerWaalsContact C-N 3.33Å; I57-A60 PolarHBondContact O-N 2.96Å; I57-V61 HydrophobicContact CG2-CG2 4.33Å; I57-V61 VanDerWaalsContact O-CG2 3.25Å; I57-V61 WeakPolarHBondContact O-CG2 3.26Å; I57-V61 PolarHBondContact O-N 3.43Å |
| 58 | L | 87.4 | Confident | 85.1 | Confident | 19 Ų | 19 | 35.3 Ų | 35.3 | 10% | 0.099 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.8 | -45.9 | -177.5 | -59.7 | -176.6 | 0 | 0 | 0 | 113.2 | D54 F55 F56 R62 M98 F101 N129 | D54-L58 PolarHBondContact O-N 3.22Å; F55-L58 HydrophobicContact CD1-CD1 4.09Å; F55-L58 HydrophobicContact CE1-CD1 4.49Å; F55-L58 PolarHBondContact O-N 2.94Å; F56-L58 VanDerWaalsContact C-N 3.3Å; F56-L58 PolarHBondContact O-N 3.44Å; L58-R62 WeakPolarHBondContact O-CG 3.32Å; L58-R62 PolarHBondContact O-N 2.89Å; L58-R62 VanDerWaalsContact O-N 3.16Å; L58-R62 PolarHBondContact O-NE 3.2Å; L58-R62 VanDerWaalsContact O-NE 3.16Å; L58-M98 HydrophobicContact CD2-CG 4.12Å; L58-F101 HydrophobicContact CD1-CB 4.13Å; L58-F101 HydrophobicContact CD1-CD1 3.51Å; L58-F101 HydrophobicContact CD1-CE1 4.2Å; L58-F101 HydrophobicContact CD1-CG 3.94Å; L58-F101 HydrophobicContact CD2-CB 4.45Å; L58-F101 HydrophobicContact CD2-CG 4.35Å; L58-F101 HydrophobicContact CG-CD1 4.4Å; L58-N129 WeakPolarHBondContact CD1-ND2 3.47Å |
| 59 | F | 88 | Confident | 85.4 | Confident | 23 Ų | 23 | 32.3 Ų | 32.3 | 10% | 0.101 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.4 | -38.1 | 176.6 | 83.4 | -110.8 | 0 | 0 | 0 | 110.9 | V21 T24 I25 F55 F56 V61 R62 I63 | V21-F59 HydrophobicContact CB-CD2 4.47Å; V21-F59 HydrophobicContact CB-CE2 4.41Å; V21-F59 HydrophobicContact CG1-CE2 4.06Å; V21-F59 HydrophobicContact CG1-CZ 4.35Å; V21-F59 HydrophobicContact CG2-CD2 3.89Å; V21-F59 HydrophobicContact CG2-CE2 3.93Å; T24-F59 HydrophobicContact CG2-CD1 3.67Å; T24-F59 HydrophobicContact CG2-CE1 4.4Å; I25-F59 HydrophobicContact CD1-CZ 4.33Å; I25-F59 HydrophobicContact CG1-CE1 4.15Å; I25-F59 HydrophobicContact CG1-CZ 4.26Å; F55-F59 WeakPolarHBondContact O-CD1 3.47Å; F55-F59 PolarHBondContact O-N 2.74Å; F56-F59 VanDerWaalsContact CA-CD1 3.48Å; F56-F59 HydrophobicContact CB-CD1 4.41Å; F56-F59 HydrophobicContact CB-CE1 3.81Å; F56-F59 HydrophobicContact CB-CZ 4.46Å; F56-F59 AromaticContact CD1-CE1 3.46Å; F56-F59 HydrophobicContact CD1-CE1 3.46Å; F56-F59 VanDerWaalsContact CD1-CE1 3.46Å; F56-F59 AromaticContact CD1-CZ 3.82Å; F56-F59 HydrophobicContact CD1-CZ 3.82Å; F56-F59 HydrophobicContact CE1-CE1 4.15Å; F56-F59 HydrophobicContact CE1-CZ 4.49Å; F56-F59 AromaticContact CG-CE1 3.72Å; F56-F59 HydrophobicContact CG-CE1 3.72Å; F56-F59 HydrophobicContact CG-CZ 4.43Å; F56-F59 WeakPolarHBondContact O-CD1 3.04Å; F59-V61 VanDerWaalsContact C-N 3.31Å; F59-V61 PolarHBondContact O-N 3.12Å; F59-R62 PolarHBondContact O-N 3Å; F59-R62 VanDerWaalsContact O-N 3.16Å; F59-I63 HydrophobicContact CD2-CD1 3.63Å; F59-I63 HydrophobicContact CE2-CD1 4.27Å; F59-I63 VanDerWaalsContact O-CG1 3.25Å; F59-I63 WeakPolarHBondContact O-CG1 3.18Å; F59-I63 PolarHBondContact O-N 3.08Å |
| 60 | A | 88 | Confident | 85.6 | Confident | 49 Ų | 49 | 28.8 Ų | 28.8 | 41% | 0.405 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.9 | -43.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F56 I57 I63 S64 | F56-A60 VanDerWaalsContact O-CB 3.25Å; F56-A60 WeakPolarHBondContact O-CB 3.42Å; F56-A60 PolarHBondContact O-N 2.81Å; I57-A60 PolarHBondContact O-N 2.96Å; A60-I63 PolarHBondContact O-N 3.16Å; A60-S64 VanDerWaalsContact O-CB 3.29Å; A60-S64 WeakPolarHBondContact O-CB 3.29Å; A60-S64 PolarHBondContact O-N 3.31Å |
| 61 | V | 88.3 | Confident | 86.1 | Confident | 52 Ų | 52 | 30.9 Ų | 30.9 | 32% | 0.315 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.9 | -46.3 | 174.8 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | I57 F59 I63 S64 V65 L94 M98 | I57-V61 HydrophobicContact CG2-CG2 4.33Å; I57-V61 VanDerWaalsContact O-CG2 3.25Å; I57-V61 WeakPolarHBondContact O-CG2 3.26Å; I57-V61 PolarHBondContact O-N 3.43Å; F59-V61 VanDerWaalsContact C-N 3.31Å; F59-V61 PolarHBondContact O-N 3.12Å; V61-I63 VanDerWaalsContact C-N 3.3Å; V61-I63 PolarHBondContact O-N 3.04Å; V61-S64 PolarHBondContact O-N 2.75Å; V61-V65 HydrophobicContact CG1-CG2 4.4Å; V61-V65 WeakPolarHBondContact O-CB 3.31Å; V61-V65 VanDerWaalsContact O-CG2 3.28Å; V61-V65 WeakPolarHBondContact O-CG2 3.49Å; V61-V65 PolarHBondContact O-N 2.71Å; V61-L94 HydrophobicContact CG1-CD1 4.08Å; V61-L94 HydrophobicContact CG1-CD2 3.85Å; V61-L94 HydrophobicContact CG1-CG 4.33Å; V61-M98 HydrophobicContact CB-CE 3.68Å; V61-M98 HydrophobicContact CG1-CE 3.32Å |
| 62 | R | 89.3 | Confident | 86 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.8 | -43.8 | 179 | -75 | 178.9 | -75.5 | 145.4 | -4.7 | 111.9 | D20 L58 F59 I66 M98 S132 F136 | D20-R62 IonicContact OD1-CZ 2.94Å; D20-R62 IonicContact OD1-NH1 3.86Å; D20-R62 PolarHBondContact OD1-NH1 3.12Å; D20-R62 IonicContact OD1-NH2 3.65Å; D20-R62 PolarHBondContact OD1-NH2 3.19Å; D20-R62 IonicContact OD2-CZ 2.89Å; D20-R62 IonicContact OD2-NE 2.71Å; D20-R62 IonicContact OD2-NH1 3.28Å; D20-R62 PolarHBondContact OD2-NH1 2.89Å; D20-R62 IonicContact OD2-NH2 2.76Å; D20-R62 PolarHBondContact OD2-NH2 2.98Å; L58-R62 WeakPolarHBondContact O-CG 3.32Å; L58-R62 PolarHBondContact O-N 2.89Å; L58-R62 VanDerWaalsContact O-N 3.16Å; L58-R62 PolarHBondContact O-NE 3.2Å; L58-R62 VanDerWaalsContact O-NE 3.16Å; F59-R62 PolarHBondContact O-N 3Å; F59-R62 VanDerWaalsContact O-N 3.16Å; R62-I66 WeakPolarHBondContact O-CB 3.39Å; R62-I66 VanDerWaalsContact O-CG1 3.22Å; R62-I66 WeakPolarHBondContact O-CG1 3.03Å; R62-I66 PolarHBondContact O-N 3.1Å; R62-M98 HydrophobicContact CG-CE 3.54Å; R62-M98 HydrophobicContact CG-SD 3.36Å; R62-M98 WeakPolarHBondContact CG-SD 3.19Å; R62-S132 PolarHBondContact NH1-OG 2.84Å; R62-F136 HydrophobicContact CB-CD2 4.06Å; R62-F136 HydrophobicContact CB-CE2 4.35Å; R62-F136 HydrophobicContact CG-CD2 3.91Å; R62-F136 HydrophobicContact CG-CE2 4.29Å; R62-F136 HydrophobicContact CG-CG 4.36Å |
| 63 | I | 88.9 | Confident | 85.8 | Confident | 35 Ų | 35 | 32.6 Ų | 32.6 | 18% | 0.179 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.8 | -47 | -179.3 | -64.8 | 169.4 | 0 | 0 | 0 | 111.3 | A17 V21 F59 A60 V61 V65 I66 T67 | A17-I63 HydrophobicContact CB-CG1 4.05Å; A17-I63 HydrophobicContact CB-CG2 4.44Å; V21-I63 HydrophobicContact CB-CD1 4.36Å; V21-I63 HydrophobicContact CG2-CD1 2.96Å; V21-I63 HydrophobicContact CG2-CG1 4.34Å; F59-I63 HydrophobicContact CD2-CD1 3.63Å; F59-I63 HydrophobicContact CE2-CD1 4.27Å; F59-I63 VanDerWaalsContact O-CG1 3.25Å; F59-I63 WeakPolarHBondContact O-CG1 3.18Å; F59-I63 PolarHBondContact O-N 3.08Å; A60-I63 PolarHBondContact O-N 3.16Å; V61-I63 VanDerWaalsContact C-N 3.3Å; V61-I63 PolarHBondContact O-N 3.04Å; I63-V65 PolarHBondContact O-N 3.22Å; I63-I66 PolarHBondContact O-N 3.31Å; I63-T67 HydrophobicContact CG2-CG2 3.85Å; I63-T67 VanDerWaalsContact O-CB 3.32Å; I63-T67 WeakPolarHBondContact O-CB 3.44Å; I63-T67 VanDerWaalsContact O-CG2 3.29Å; I63-T67 WeakPolarHBondContact O-CG2 3.35Å; I63-T67 PolarHBondContact O-N 2.9Å; I63-T67 PolarHBondContact O-OG1 2.93Å |
| 64 | S | 88.4 | Confident | 85.5 | Confident | 80 Ų | 80 | 39.8 Ų | 39.8 | 56% | 0.559 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -54.3 | -42.4 | 177.9 | -179.4 | 0 | 0 | 0 | 0 | 110.6 | A60 V61 T67 G68 | A60-S64 VanDerWaalsContact O-CB 3.29Å; A60-S64 WeakPolarHBondContact O-CB 3.29Å; A60-S64 PolarHBondContact O-N 3.31Å; V61-S64 PolarHBondContact O-N 2.75Å; S64-T67 PolarHBondContact O-OG1 3.27Å; S64-G68 PolarHBondContact O-N 2.97Å |
| 65 | V | 88.4 | Confident | 85.2 | Confident | 30 Ų | 30 | 46.3 Ų | 46.3 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.2 | -44.5 | 179.5 | 173.2 | 0 | 0 | 0 | 0 | 112.8 | V61 I63 S69 F91 L94 F136 F140 | V61-V65 HydrophobicContact CG1-CG2 4.4Å; V61-V65 WeakPolarHBondContact O-CB 3.31Å; V61-V65 VanDerWaalsContact O-CG2 3.28Å; V61-V65 WeakPolarHBondContact O-CG2 3.49Å; V61-V65 PolarHBondContact O-N 2.71Å; I63-V65 PolarHBondContact O-N 3.22Å; V65-S69 VanDerWaalsContact O-CB 3.25Å; V65-S69 WeakPolarHBondContact O-CB 3.34Å; V65-S69 PolarHBondContact O-N 3.03Å; V65-S69 PolarHBondContact O-OG 2.79Å; V65-F91 HydrophobicContact CG1-CD1 3.58Å; V65-F91 HydrophobicContact CG1-CE1 3.39Å; V65-F91 HydrophobicContact CG1-CZ 4.48Å; V65-L94 HydrophobicContact CG2-CD2 3.95Å; V65-F136 HydrophobicContact CB-CE2 4.11Å; V65-F136 HydrophobicContact CB-CZ 4.22Å; V65-F136 HydrophobicContact CG1-CE2 3.9Å; V65-F136 HydrophobicContact CG1-CZ 3.69Å; V65-F140 HydrophobicContact CG1-CE1 4.42Å; V65-F140 HydrophobicContact CG1-CE2 3.99Å; V65-F140 HydrophobicContact CG1-CZ 3.59Å |
| 66 | I | 86.9 | Confident | 84.8 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.3 | -51.1 | 177 | -72.3 | 167.1 | 0 | 0 | 0 | 110.3 | C13 F16 R62 I63 S69 V70 F136 L139 F140 | C13-I66 HydrophobicContact CB-CG2 3.89Å; F16-I66 HydrophobicContact CD1-CD1 3.89Å; F16-I66 HydrophobicContact CE1-CD1 3.95Å; R62-I66 WeakPolarHBondContact O-CB 3.39Å; R62-I66 VanDerWaalsContact O-CG1 3.22Å; R62-I66 WeakPolarHBondContact O-CG1 3.03Å; R62-I66 PolarHBondContact O-N 3.1Å; I63-I66 PolarHBondContact O-N 3.31Å; I66-S69 PolarHBondContact O-N 3.12Å; I66-V70 HydrophobicContact CG2-CG2 4.4Å; I66-V70 VanDerWaalsContact O-CG2 3.3Å; I66-V70 WeakPolarHBondContact O-CG2 3.12Å; I66-V70 PolarHBondContact O-N 2.91Å; I66-F136 HydrophobicContact CD1-CD2 3.84Å; I66-F136 HydrophobicContact CD1-CE2 4.4Å; I66-F136 HydrophobicContact CG1-CD2 3.86Å; I66-F136 HydrophobicContact CG1-CE2 3.97Å; I66-L139 HydrophobicContact CD1-CD1 4.47Å; I66-F140 HydrophobicContact CG1-CE2 4.12Å |
| 67 | T | 85.4 | Confident | 84 | Confident | 32 Ų | 32 | 48.1 Ų | 48.1 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.9 | -45.1 | -177.2 | 57.3 | 0 | 0 | 0 | 0 | 111.3 | F14 I63 S64 S69 V70 I71 | F14-T67 HydrophobicContact CD1-CG2 4.21Å; F14-T67 HydrophobicContact CE1-CG2 3.64Å; F14-T67 HydrophobicContact CZ-CG2 4.32Å; I63-T67 HydrophobicContact CG2-CG2 3.85Å; I63-T67 VanDerWaalsContact O-CB 3.32Å; I63-T67 WeakPolarHBondContact O-CB 3.44Å; I63-T67 VanDerWaalsContact O-CG2 3.29Å; I63-T67 WeakPolarHBondContact O-CG2 3.35Å; I63-T67 PolarHBondContact O-N 2.9Å; I63-T67 PolarHBondContact O-OG1 2.93Å; S64-T67 PolarHBondContact O-OG1 3.27Å; T67-S69 VanDerWaalsContact C-N 3.31Å; T67-S69 PolarHBondContact O-N 3.29Å; T67-V70 PolarHBondContact O-N 3Å; T67-I71 WeakPolarHBondContact O-CB 3.47Å; T67-I71 VanDerWaalsContact O-CG1 3.24Å; T67-I71 WeakPolarHBondContact O-CG1 3.31Å; T67-I71 PolarHBondContact O-N 3.5Å |
| 68 | G | 85.4 | Confident | 83 | Confident | 40 Ų | 40 | 48.5 Ų | 48.5 | 41% | 0.412 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.6 | -39.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | S64 G72 | S64-G68 PolarHBondContact O-N 2.97Å; G68-G72 PolarHBondContact O-N 3.18Å |
| 69 | S | 83.8 | Confident | 82.3 | Confident | 13 Ų | 13 | 51.1 Ų | 51.1 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69 | -41.8 | 177.3 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | V65 I66 T67 G72 I73 F140 | V65-S69 VanDerWaalsContact O-CB 3.25Å; V65-S69 WeakPolarHBondContact O-CB 3.34Å; V65-S69 PolarHBondContact O-N 3.03Å; V65-S69 PolarHBondContact O-OG 2.79Å; I66-S69 PolarHBondContact O-N 3.12Å; T67-S69 VanDerWaalsContact C-N 3.31Å; T67-S69 PolarHBondContact O-N 3.29Å; S69-G72 PolarHBondContact O-N 3.38Å; S69-I73 WeakPolarHBondContact O-CG1 3.41Å; S69-I73 PolarHBondContact O-N 2.81Å; S69-F140 WeakPolarHBondContact OG-CE1 3.4Å; S69-F140 WeakPolarHBondContact OG-CZ 3.49Å |
| 70 | V | 83.1 | Confident | 81.6 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.8 | -44.6 | 177.2 | 171.9 | 0 | 0 | 0 | 0 | 111 | V10 C13 F14 I66 T67 G72 I73 W74 | V10-V70 HydrophobicContact CB-CG1 4.32Å; V10-V70 HydrophobicContact CG1-CG1 4.09Å; V10-V70 HydrophobicContact CG2-CG1 3.84Å; C13-V70 HydrophobicContact CB-CG2 3.85Å; F14-V70 HydrophobicContact CD2-CG1 4.48Å; F14-V70 HydrophobicContact CE2-CG1 3.8Å; I66-V70 HydrophobicContact CG2-CG2 4.4Å; I66-V70 VanDerWaalsContact O-CG2 3.3Å; I66-V70 WeakPolarHBondContact O-CG2 3.12Å; I66-V70 PolarHBondContact O-N 2.91Å; T67-V70 PolarHBondContact O-N 3Å; V70-G72 VanDerWaalsContact C-N 3.31Å; V70-G72 PolarHBondContact O-N 2.88Å; V70-I73 PolarHBondContact O-N 3.32Å; V70-W74 WeakPolarHBondContact O-CB 3.46Å; V70-W74 PolarHBondContact O-N 2.91Å |
| 71 | I | 83.5 | Confident | 80.7 | Confident | 81 Ų | 81 | 48.8 Ų | 48.8 | 42% | 0.415 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 174.5 | -67 | 165 | 0 | 0 | 0 | 110.2 | T67 I73 W74 M75 | T67-I71 WeakPolarHBondContact O-CB 3.47Å; T67-I71 VanDerWaalsContact O-CG1 3.24Å; T67-I71 WeakPolarHBondContact O-CG1 3.31Å; T67-I71 PolarHBondContact O-N 3.5Å; I71-I73 PolarHBondContact O-N 3.42Å; I71-W74 PolarHBondContact O-N 2.85Å; I71-M75 HydrophobicContact CG2-CE 4.35Å; I71-M75 HydrophobicContact CG2-CG 4.38Å; I71-M75 HydrophobicContact CG2-SD 4.12Å; I71-M75 WeakPolarHBondContact O-CB 3.43Å; I71-M75 WeakPolarHBondContact O-CG 3.26Å; I71-M75 PolarHBondContact O-N 3.32Å |
| 72 | G | 80.4 | Confident | 79.9 | Confident | 33 Ų | 33 | 48.2 Ų | 48.2 | 34% | 0.34 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G68 S69 V70 N76 | G68-G72 PolarHBondContact O-N 3.18Å; S69-G72 PolarHBondContact O-N 3.38Å; V70-G72 VanDerWaalsContact C-N 3.31Å; V70-G72 PolarHBondContact O-N 2.88Å; G72-N76 PolarHBondContact O-N 2.81Å |
| 73 | I | 78.5 | Confident | 79.4 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.7 | -40.8 | 174.4 | -66.1 | 163.3 | 0 | 0 | 0 | 110.8 | L6 S69 V70 I71 M75 N76 P77 I84 L144 L147 | L6-I73 HydrophobicContact CD1-CG2 4.22Å; S69-I73 WeakPolarHBondContact O-CG1 3.41Å; S69-I73 PolarHBondContact O-N 2.81Å; V70-I73 PolarHBondContact O-N 3.32Å; I71-I73 PolarHBondContact O-N 3.42Å; I73-M75 VanDerWaalsContact C-N 3.35Å; I73-N76 CarbonylContact O-C 3.52Å; I73-N76 VanDerWaalsContact O-C 3.25Å; I73-N76 PolarHBondContact O-N 3.13Å; I73-P77 VanDerWaalsContact O-CA 3.29Å; I73-P77 WeakPolarHBondContact O-CA 3.45Å; I73-P77 VanDerWaalsContact O-N 3.16Å; I73-I84 HydrophobicContact CD1-CD1 3.45Å; I73-I84 VanDerWaalsContact CD1-CD1 3.45Å; I73-I84 HydrophobicContact CG1-CD1 3.51Å; I73-L144 HydrophobicContact CD1-CB 4.41Å; I73-L144 HydrophobicContact CD1-CD2 3.44Å; I73-L144 VanDerWaalsContact CD1-CD2 3.44Å; I73-L147 HydrophobicContact CG2-CD2 4.31Å |
| 74 | W | 78.6 | Confident | 78.8 | Confident | 178 Ų | 178 | 54.4 Ų | 54.4 | 67% | 0.674 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.7 | -40.2 | -179.5 | -171.4 | 67 | 0 | 0 | 0 | 112 | V70 I71 | V70-W74 WeakPolarHBondContact O-CB 3.46Å; V70-W74 PolarHBondContact O-N 2.91Å; I71-W74 PolarHBondContact O-N 2.85Å |
| 75 | M | 79.5 | Confident | 78.1 | Confident | 147 Ų | 147 | 56.7 Ų | 56.7 | 72% | 0.724 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -71.8 | -39.1 | 176 | -74 | -174.3 | 159.7 | 0 | 0 | 112.9 | I71 I73 | I71-M75 HydrophobicContact CG2-CE 4.35Å; I71-M75 HydrophobicContact CG2-CG 4.38Å; I71-M75 HydrophobicContact CG2-SD 4.12Å; I71-M75 WeakPolarHBondContact O-CB 3.43Å; I71-M75 WeakPolarHBondContact O-CG 3.26Å; I71-M75 PolarHBondContact O-N 3.32Å; I73-M75 VanDerWaalsContact C-N 3.35Å |
| 76 | N | 77.9 | Confident | 77.4 | Confident | 52 Ų | 52 | 65 Ų | 65 | 28% | 0.278 | 33% | 0.326 | S | S | . | . | trans | -131 | 82.5 | -179.4 | -163.9 | -15.7 | 0 | 0 | 0 | 111.5 | G72 I73 T78 D79 G80 | G72-N76 PolarHBondContact O-N 2.81Å; I73-N76 CarbonylContact O-C 3.52Å; I73-N76 VanDerWaalsContact O-C 3.25Å; I73-N76 PolarHBondContact O-N 3.13Å; N76-T78 VanDerWaalsContact C-N 3.3Å; N76-T78 PolarHBondContact O-N 3.16Å; N76-T78 PolarHBondContact OD1-OG1 3.43Å; N76-D79 PolarHBondContact OD1-N 2.89Å; N76-G80 WeakPolarHBondContact O-CA 3.44Å; N76-G80 PolarHBondContact O-N 3.12Å | ||
| 77 | P | 68.9 | Low | 77 | Confident | 36 Ų | 36 | 67.3 Ų | 67.3 | 23% | 0.234 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -24.7 | -173.7 | 18 | -28.2 | 0 | 0 | 0 | 115 | I73 V149 | I73-P77 VanDerWaalsContact O-CA 3.29Å; I73-P77 WeakPolarHBondContact O-CA 3.45Å; I73-P77 VanDerWaalsContact O-N 3.16Å; P77-V149 HydrophobicContact CB-CB 3.66Å; P77-V149 HydrophobicContact CB-CG1 3.9Å; P77-V149 HydrophobicContact CB-CG2 3.98Å |
| 78 | T | 65.5 | Low | 76.6 | Confident | 104 Ų | 104 | 67.3 Ų | 67.3 | 64% | 0.638 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -49.4 | -179 | 51.3 | 0 | 0 | 0 | 0 | 111.5 | N76 | N76-T78 VanDerWaalsContact C-N 3.3Å; N76-T78 PolarHBondContact O-N 3.16Å; N76-T78 PolarHBondContact OD1-OG1 3.43Å |
| 79 | D | 72.7 | Confident | 76.3 | Confident | 75 Ų | 75 | 68.6 Ų | 68.6 | 40% | 0.401 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -21.5 | -175.5 | -66 | -15.9 | 0 | 0 | 0 | 113.3 | N76 S81 S82 R83 | N76-D79 PolarHBondContact OD1-N 2.89Å; D79-S81 PolarHBondContact O-N 3.47Å; D79-S82 WeakPolarHBondContact O-CB 3.37Å; D79-S82 PolarHBondContact O-N 2.94Å; D79-S82 VanDerWaalsContact O-N 3.13Å; D79-S82 PolarHBondContact O-OG 3.06Å; D79-R83 WeakPolarHBondContact O-CG 3.49Å; D79-R83 PolarHBondContact O-N 3.07Å |
| 80 | G | 71.3 | Confident | 76.3 | Confident | 7 Ų | 7 | 73 Ų | 73 | 7% | 0.072 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.2 | -45.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113 | N76 R83 I84 | N76-G80 WeakPolarHBondContact O-CA 3.44Å; N76-G80 PolarHBondContact O-N 3.12Å; G80-R83 PolarHBondContact O-N 3.25Å; G80-I84 WeakPolarHBondContact O-CG1 3.46Å; G80-I84 PolarHBondContact O-N 3.48Å; G80-I84 VanDerWaalsContact O-N 3.12Å |
| 81 | S | 70.6 | Confident | 76.4 | Confident | 15 Ų | 15 | 74.1 Ų | 74.1 | 11% | 0.105 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.2 | -37.4 | 176 | 58.7 | 0 | 0 | 0 | 0 | 112.3 | D79 R83 I84 R85 L147 | D79-S81 PolarHBondContact O-N 3.47Å; S81-R83 PolarHBondContact O-N 3.47Å; S81-I84 PolarHBondContact O-N 3.36Å; S81-R85 WeakPolarHBondContact O-CB 3.46Å; S81-R85 PolarHBondContact O-N 3.07Å; S81-L147 WeakPolarHBondContact CB-O 3.43Å; S81-L147 PolarHBondContact OG-O 2.78Å |
| 82 | S | 70.9 | Confident | 76.4 | Confident | 41 Ų | 41 | 71.4 Ų | 71.4 | 29% | 0.287 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 176.6 | 85.4 | 0 | 0 | 0 | 0 | 112.2 | D79 R85 R86 | D79-S82 WeakPolarHBondContact O-CB 3.37Å; D79-S82 PolarHBondContact O-N 2.94Å; D79-S82 VanDerWaalsContact O-N 3.13Å; D79-S82 PolarHBondContact O-OG 3.06Å; S82-R85 WeakPolarHBondContact O-CB 3.21Å; S82-R85 PolarHBondContact O-N 2.8Å; S82-R86 WeakPolarHBondContact O-CG 3.42Å; S82-R86 PolarHBondContact O-N 3.17Å; S82-R86 VanDerWaalsContact O-N 3.08Å |
| 83 | R | 78 | Confident | 76.6 | Confident | 153 Ų | 153 | 71.6 Ų | 71.6 | 58% | 0.577 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.9 | -44.2 | 175.8 | -70.3 | 179.1 | -173.9 | -163.6 | 1.5 | 111 | D79 G80 S81 R85 R86 C87 | D79-R83 WeakPolarHBondContact O-CG 3.49Å; D79-R83 PolarHBondContact O-N 3.07Å; G80-R83 PolarHBondContact O-N 3.25Å; S81-R83 PolarHBondContact O-N 3.47Å; R83-R85 VanDerWaalsContact C-N 3.28Å; R83-R85 PolarHBondContact O-N 3.4Å; R83-R86 PolarHBondContact O-N 3.02Å; R83-C87 PolarHBondContact O-N 3.25Å |
| 84 | I | 77.3 | Confident | 77 | Confident | 12 Ų | 12 | 73.8 Ų | 73.8 | 6% | 0.062 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 175.5 | -69.5 | 166 | 0 | 0 | 0 | 110.9 | I73 G80 S81 R86 C87 S88 F91 F140 L144 | I73-I84 HydrophobicContact CD1-CD1 3.45Å; I73-I84 VanDerWaalsContact CD1-CD1 3.45Å; I73-I84 HydrophobicContact CG1-CD1 3.51Å; G80-I84 WeakPolarHBondContact O-CG1 3.46Å; G80-I84 PolarHBondContact O-N 3.48Å; G80-I84 VanDerWaalsContact O-N 3.12Å; S81-I84 PolarHBondContact O-N 3.36Å; I84-R86 PolarHBondContact O-N 3.18Å; I84-C87 CarbonylContact O-C 3.52Å; I84-C87 PolarHBondContact O-N 2.78Å; I84-S88 WeakPolarHBondContact O-CA 3.29Å; I84-S88 PolarHBondContact O-N 2.93Å; I84-F91 HydrophobicContact CG2-CD2 4.41Å; I84-F91 HydrophobicContact CG2-CE2 4.11Å; I84-F140 HydrophobicContact CG2-CD1 3.84Å; I84-F140 HydrophobicContact CG2-CE1 4.2Å; I84-L144 HydrophobicContact CG2-CB 4.14Å |
| 85 | R | 72.5 | Confident | 77.4 | Confident | 129 Ų | 129 | 65.3 Ų | 65.3 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | 175.3 | -172.5 | 176.5 | 177.9 | 165.6 | 3.8 | 112 | S81 S82 R83 C87 S88 A145 D201 | S81-R85 WeakPolarHBondContact O-CB 3.46Å; S81-R85 PolarHBondContact O-N 3.07Å; S82-R85 WeakPolarHBondContact O-CB 3.21Å; S82-R85 PolarHBondContact O-N 2.8Å; R83-R85 VanDerWaalsContact C-N 3.28Å; R83-R85 PolarHBondContact O-N 3.4Å; R85-C87 VanDerWaalsContact C-N 3.34Å; R85-C87 PolarHBondContact O-N 3Å; R85-S88 WeakPolarHBondContact O-CB 3.35Å; R85-S88 PolarHBondContact O-N 2.95Å; R85-S88 PolarHBondContact O-OG 3.35Å; R85-A145 HydrophobicContact CB-CB 4.31Å; R85-D201 IonicContact NH1-OD2 3.28Å |
| 86 | R | 73.9 | Confident | 77.7 | Confident | 204 Ų | 204 | 58.9 Ų | 58.9 | 77% | 0.77 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.4 | -38.6 | 174.8 | -66.6 | -177.5 | -148.3 | -178.8 | 5.5 | 112.3 | S82 R83 I84 S88 | S82-R86 WeakPolarHBondContact O-CG 3.42Å; S82-R86 PolarHBondContact O-N 3.17Å; S82-R86 VanDerWaalsContact O-N 3.08Å; R83-R86 PolarHBondContact O-N 3.02Å; I84-R86 PolarHBondContact O-N 3.18Å; R86-S88 VanDerWaalsContact C-N 3.31Å |
| 87 | C | 79.7 | Confident | 78.1 | Confident | 50 Ų | 50 | 60.7 Ų | 60.7 | 34% | 0.338 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 5.4 | 177.6 | -62.2 | 0 | 0 | 0 | 0 | 113.7 | R83 I84 R85 L89 I90 F91 | R83-C87 PolarHBondContact O-N 3.25Å; I84-C87 CarbonylContact O-C 3.52Å; I84-C87 PolarHBondContact O-N 2.78Å; R85-C87 VanDerWaalsContact C-N 3.34Å; R85-C87 PolarHBondContact O-N 3Å; C87-L89 PolarHBondContact O-N 2.97Å; C87-L89 VanDerWaalsContact O-N 3.08Å; C87-I90 HydrophobicContact CB-CD1 4.37Å; C87-I90 WeakPolarHBondContact O-CB 3.32Å; C87-I90 PolarHBondContact O-N 3.02Å; C87-F91 HydrophobicContact CB-CD2 4.23Å; C87-F91 HydrophobicContact CB-CE2 3.7Å; C87-F91 HydrophobicContact CB-CZ 4.33Å; C87-F91 VanDerWaalsContact O-CD2 3.26Å; C87-F91 WeakPolarHBondContact O-CD2 3.38Å; C87-F91 PolarHBondContact O-N 3.2Å |
| 88 | S | 77.6 | Confident | 79 | Confident | 33 Ų | 33 | 59.2 Ų | 59.2 | 23% | 0.231 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.2 | -27.6 | -174.6 | 63.1 | 0 | 0 | 0 | 0 | 113.5 | I84 R85 R86 L92 | I84-S88 WeakPolarHBondContact O-CA 3.29Å; I84-S88 PolarHBondContact O-N 2.93Å; R85-S88 WeakPolarHBondContact O-CB 3.35Å; R85-S88 PolarHBondContact O-N 2.95Å; R85-S88 PolarHBondContact O-OG 3.35Å; R86-S88 VanDerWaalsContact C-N 3.31Å; S88-L92 WeakPolarHBondContact O-CB 3.21Å; S88-L92 PolarHBondContact O-N 3.03Å |
| 89 | L | 78.5 | Confident | 79.9 | Confident | 66 Ų | 66 | 55.3 Ų | 55.3 | 35% | 0.346 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.1 | -40.4 | 174.4 | -173.8 | 71.4 | 0 | 0 | 0 | 112.2 | C87 L92 S93 L382 V386 | C87-L89 PolarHBondContact O-N 2.97Å; C87-L89 VanDerWaalsContact O-N 3.08Å; L89-L92 PolarHBondContact O-N 2.71Å; L89-S93 PolarHBondContact O-N 3.11Å; L89-S93 PolarHBondContact O-OG 3.41Å; L89-L382 HydrophobicContact CD1-CD1 4.06Å; L89-V386 HydrophobicContact CD1-CG2 3.44Å; L89-V386 VanDerWaalsContact CD1-CG2 3.44Å; L89-V386 HydrophobicContact CD2-CG2 3.68Å; L89-V386 HydrophobicContact CG-CG2 4.06Å |
| 90 | I | 84.3 | Confident | 80.6 | Confident | 106 Ų | 106 | 52.7 Ų | 52.7 | 54% | 0.544 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 178.6 | -60.3 | 170.6 | 0 | 0 | 0 | 109.9 | C87 S93 L94 | C87-I90 HydrophobicContact CB-CD1 4.37Å; C87-I90 WeakPolarHBondContact O-CB 3.32Å; C87-I90 PolarHBondContact O-N 3.02Å; I90-S93 WeakPolarHBondContact CA-OG 3.45Å; I90-S93 PolarHBondContact O-N 2.83Å; I90-S93 PolarHBondContact O-OG 2.78Å; I90-L94 WeakPolarHBondContact O-CB 3.3Å; I90-L94 PolarHBondContact O-N 2.77Å |
| 91 | F | 85.1 | Confident | 81.4 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 14% | 0.136 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 176.4 | -61.3 | -55.3 | 0 | 0 | 0 | 111.8 | V65 I84 C87 L94 A95 F136 F140 | V65-F91 HydrophobicContact CG1-CD1 3.58Å; V65-F91 HydrophobicContact CG1-CE1 3.39Å; V65-F91 HydrophobicContact CG1-CZ 4.48Å; I84-F91 HydrophobicContact CG2-CD2 4.41Å; I84-F91 HydrophobicContact CG2-CE2 4.11Å; C87-F91 HydrophobicContact CB-CD2 4.23Å; C87-F91 HydrophobicContact CB-CE2 3.7Å; C87-F91 HydrophobicContact CB-CZ 4.33Å; C87-F91 VanDerWaalsContact O-CD2 3.26Å; C87-F91 WeakPolarHBondContact O-CD2 3.38Å; C87-F91 PolarHBondContact O-N 3.2Å; F91-L94 PolarHBondContact O-N 3.06Å; F91-A95 WeakPolarHBondContact O-CB 3.38Å; F91-A95 PolarHBondContact O-N 3.24Å; F91-F136 HydrophobicContact CB-CE1 4.47Å; F91-F140 HydrophobicContact CB-CB 4.01Å; F91-F140 HydrophobicContact CB-CD1 3.9Å; F91-F140 HydrophobicContact CB-CD2 4.27Å; F91-F140 HydrophobicContact CB-CE1 4.49Å; F91-F140 HydrophobicContact CB-CG 3.78Å; F91-F140 HydrophobicContact CD1-CD1 4.09Å; F91-F140 AromaticContact CD1-CE1 3.84Å; F91-F140 HydrophobicContact CD1-CE1 3.84Å; F91-F140 HydrophobicContact CD1-CZ 4.09Å; F91-F140 AromaticContact CD2-CD1 3.36Å; F91-F140 HydrophobicContact CD2-CD1 3.36Å; F91-F140 AromaticContact CD2-CE1 3.67Å; F91-F140 HydrophobicContact CD2-CE1 3.67Å; F91-F140 HydrophobicContact CD2-CG 4.14Å; F91-F140 AromaticContact CE1-CE1 3.9Å; F91-F140 HydrophobicContact CE1-CE1 3.9Å; F91-F140 HydrophobicContact CE1-CZ 4.21Å; F91-F140 AromaticContact CE2-CD1 3.83Å; F91-F140 HydrophobicContact CE2-CD1 3.83Å; F91-F140 AromaticContact CE2-CE1 3.71Å; F91-F140 HydrophobicContact CE2-CE1 3.71Å; F91-F140 AromaticContact CG-CD1 3.51Å; F91-F140 HydrophobicContact CG-CD1 3.51Å; F91-F140 HydrophobicContact CG-CD2 4.45Å; F91-F140 AromaticContact CG-CE1 3.73Å; F91-F140 HydrophobicContact CG-CE1 3.73Å; F91-F140 AromaticContact CG-CG 3.91Å; F91-F140 HydrophobicContact CG-CG 3.91Å; F91-F140 HydrophobicContact CG-CZ 4.33Å; F91-F140 HydrophobicContact CZ-CD1 4.38Å; F91-F140 AromaticContact CZ-CE1 3.82Å; F91-F140 HydrophobicContact CZ-CE1 3.82Å |
| 92 | L | 82.8 | Confident | 82.1 | Confident | 24 Ų | 24 | 53.7 Ų | 53.7 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 173.9 | -176.6 | 70.6 | 0 | 0 | 0 | 111.5 | S88 L89 L94 A95 L96 A137 L382 K385 | S88-L92 WeakPolarHBondContact O-CB 3.21Å; S88-L92 PolarHBondContact O-N 3.03Å; L89-L92 PolarHBondContact O-N 2.71Å; L92-L94 VanDerWaalsContact C-N 3.28Å; L92-L94 PolarHBondContact O-N 2.79Å; L92-A95 WeakPolarHBondContact O-CB 3.42Å; L92-A95 PolarHBondContact O-N 3.31Å; L92-L96 HydrophobicContact CD1-CD1 4.33Å; L92-L96 HydrophobicContact CD1-CG 4.43Å; L92-L96 HydrophobicContact CD2-CD1 4.3Å; L92-L96 HydrophobicContact CG-CD1 3.81Å; L92-L96 HydrophobicContact CG-CG 4.34Å; L92-L96 VanDerWaalsContact O-CG 3.22Å; L92-L96 WeakPolarHBondContact O-CG 3.5Å; L92-L96 PolarHBondContact O-N 2.95Å; L92-A137 HydrophobicContact CD1-CB 4.27Å; L92-L382 HydrophobicContact CD2-CD1 4.5Å; L92-K385 HydrophobicContact CD2-CD 3.27Å |
| 93 | S | 84 | Confident | 82.8 | Confident | 36 Ų | 36 | 51.8 Ų | 51.8 | 25% | 0.252 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61 | -40.1 | 177.7 | 55 | 0 | 0 | 0 | 0 | 111.6 | L89 I90 L96 V97 | L89-S93 PolarHBondContact O-N 3.11Å; L89-S93 PolarHBondContact O-OG 3.41Å; I90-S93 WeakPolarHBondContact CA-OG 3.45Å; I90-S93 PolarHBondContact O-N 2.83Å; I90-S93 PolarHBondContact O-OG 2.78Å; S93-L96 PolarHBondContact O-N 3.32Å; S93-V97 VanDerWaalsContact O-CG2 3.31Å; S93-V97 WeakPolarHBondContact O-CG2 3.35Å; S93-V97 PolarHBondContact O-N 3.36Å |
| 94 | L | 87.3 | Confident | 83.2 | Confident | 51 Ų | 51 | 48.9 Ų | 48.9 | 27% | 0.267 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.2 | -45 | 176.7 | -171.3 | 69.3 | 0 | 0 | 0 | 111.5 | V61 V65 I90 F91 L92 L96 V97 M98 F136 | V61-L94 HydrophobicContact CG1-CD1 4.08Å; V61-L94 HydrophobicContact CG1-CD2 3.85Å; V61-L94 HydrophobicContact CG1-CG 4.33Å; V65-L94 HydrophobicContact CG2-CD2 3.95Å; I90-L94 WeakPolarHBondContact O-CB 3.3Å; I90-L94 PolarHBondContact O-N 2.77Å; F91-L94 PolarHBondContact O-N 3.06Å; L92-L94 VanDerWaalsContact C-N 3.28Å; L92-L94 PolarHBondContact O-N 2.79Å; L94-L96 VanDerWaalsContact C-N 3.32Å; L94-L96 PolarHBondContact O-N 2.69Å; L94-V97 PolarHBondContact O-N 2.94Å; L94-M98 HydrophobicContact CD1-CE 4.12Å; L94-M98 HydrophobicContact CD2-CE 4.01Å; L94-M98 HydrophobicContact CG-CE 3.71Å; L94-M98 HydrophobicContact CG-SD 4.32Å; L94-M98 VanDerWaalsContact O-CG 3.26Å; L94-M98 WeakPolarHBondContact O-CG 3.21Å; L94-M98 PolarHBondContact O-N 3.24Å; L94-F136 HydrophobicContact CD2-CE1 4.46Å; L94-F136 HydrophobicContact CD2-CZ 4.05Å |
| 95 | A | 86.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.2 | -40.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F91 L92 M98 M99 F136 A137 | F91-A95 WeakPolarHBondContact O-CB 3.38Å; F91-A95 PolarHBondContact O-N 3.24Å; L92-A95 WeakPolarHBondContact O-CB 3.42Å; L92-A95 PolarHBondContact O-N 3.31Å; A95-M98 PolarHBondContact O-N 3Å; A95-M99 WeakPolarHBondContact O-CG 3.34Å; A95-M99 PolarHBondContact O-N 3.46Å; A95-F136 HydrophobicContact CB-CD1 3.68Å; A95-F136 HydrophobicContact CB-CE1 4.11Å; A95-A137 HydrophobicContact CB-CB 3.79Å |
| 96 | L | 86.5 | Confident | 84.3 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.8 | -39.7 | 179.3 | -65.8 | 165.8 | 0 | 0 | 0 | 111.4 | L92 S93 L94 M98 M99 I100 P378 L382 | L92-L96 HydrophobicContact CD1-CD1 4.33Å; L92-L96 HydrophobicContact CD1-CG 4.43Å; L92-L96 HydrophobicContact CD2-CD1 4.3Å; L92-L96 HydrophobicContact CG-CD1 3.81Å; L92-L96 HydrophobicContact CG-CG 4.34Å; L92-L96 VanDerWaalsContact O-CG 3.22Å; L92-L96 WeakPolarHBondContact O-CG 3.5Å; L92-L96 PolarHBondContact O-N 2.95Å; S93-L96 PolarHBondContact O-N 3.32Å; L94-L96 VanDerWaalsContact C-N 3.32Å; L94-L96 PolarHBondContact O-N 2.69Å; L96-M98 VanDerWaalsContact C-N 3.33Å; L96-M98 PolarHBondContact O-N 3.16Å; L96-M99 HydrophobicContact CB-CE 4.44Å; L96-M99 HydrophobicContact CD2-CE 3.34Å; L96-M99 HydrophobicContact CG-CE 4.08Å; L96-M99 PolarHBondContact O-N 3.3Å; L96-I100 WeakPolarHBondContact O-CD1 3.37Å; L96-I100 VanDerWaalsContact O-CG1 3.25Å; L96-I100 WeakPolarHBondContact O-CG1 3.46Å; L96-I100 PolarHBondContact O-N 2.69Å; L96-P378 HydrophobicContact CB-CB 4.1Å; L96-P378 HydrophobicContact CD2-CB 3.6Å; L96-P378 HydrophobicContact CG-CB 4.39Å; L96-L382 HydrophobicContact CD1-CB 3.61Å; L96-L382 HydrophobicContact CD1-CD1 3.95Å; L96-L382 HydrophobicContact CD1-CD2 4.38Å; L96-L382 HydrophobicContact CD1-CG 4.17Å |
| 97 | V | 86.8 | Confident | 84.8 | Confident | 91 Ų | 91 | 33 Ų | 33 | 55% | 0.552 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -60.7 | -43.1 | 173.1 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | S93 L94 M99 I100 F101 | S93-V97 VanDerWaalsContact O-CG2 3.31Å; S93-V97 WeakPolarHBondContact O-CG2 3.35Å; S93-V97 PolarHBondContact O-N 3.36Å; L94-V97 PolarHBondContact O-N 2.94Å; V97-M99 VanDerWaalsContact C-N 3.32Å; V97-M99 PolarHBondContact O-N 2.96Å; V97-I100 PolarHBondContact O-N 3.46Å; V97-F101 PolarHBondContact O-N 3.04Å |
| 98 | M | 86.5 | Confident | 84.8 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.02 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.1 | -37.7 | 176 | -66.6 | 164 | 171 | 0 | 0 | 112.3 | L58 V61 R62 L94 A95 L96 F101 N129 S133 | L58-M98 HydrophobicContact CD2-CG 4.12Å; V61-M98 HydrophobicContact CB-CE 3.68Å; V61-M98 HydrophobicContact CG1-CE 3.32Å; R62-M98 HydrophobicContact CG-CE 3.54Å; R62-M98 HydrophobicContact CG-SD 3.36Å; R62-M98 WeakPolarHBondContact CG-SD 3.19Å; L94-M98 HydrophobicContact CD1-CE 4.12Å; L94-M98 HydrophobicContact CD2-CE 4.01Å; L94-M98 HydrophobicContact CG-CE 3.71Å; L94-M98 HydrophobicContact CG-SD 4.32Å; L94-M98 VanDerWaalsContact O-CG 3.26Å; L94-M98 WeakPolarHBondContact O-CG 3.21Å; L94-M98 PolarHBondContact O-N 3.24Å; A95-M98 PolarHBondContact O-N 3Å; L96-M98 VanDerWaalsContact C-N 3.33Å; L96-M98 PolarHBondContact O-N 3.16Å; M98-F101 PolarHBondContact O-N 3.43Å; M98-N129 PolarHBondContact O-ND2 3.21Å; M98-S133 VanDerWaalsContact CB-OG 3.31Å; M98-S133 WeakPolarHBondContact CB-OG 3.49Å |
| 99 | M | 85.7 | Confident | 85 | Confident | 23 Ų | 23 | 29.6 Ų | 29.6 | 11% | 0.113 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.4 | -33.7 | 174.5 | -73.4 | -171.6 | -63.8 | 0 | 0 | 113.2 | A95 L96 V97 P103 L134 | A95-M99 WeakPolarHBondContact O-CG 3.34Å; A95-M99 PolarHBondContact O-N 3.46Å; L96-M99 HydrophobicContact CB-CE 4.44Å; L96-M99 HydrophobicContact CD2-CE 3.34Å; L96-M99 HydrophobicContact CG-CE 4.08Å; L96-M99 PolarHBondContact O-N 3.3Å; V97-M99 VanDerWaalsContact C-N 3.32Å; V97-M99 PolarHBondContact O-N 2.96Å; M99-P103 WeakPolarHBondContact O-CD 3.42Å; M99-P103 WeakPolarHBondContact O-CG 3.21Å; M99-L134 HydrophobicContact CE-CD2 4.32Å; M99-L134 HydrophobicContact SD-CD2 3.57Å; M99-L134 VanDerWaalsContact SD-CD2 3.57Å; M99-L134 HydrophobicContact SD-CG 3.69Å |
| 100 | I | 86.9 | Confident | 85 | Confident | 20 Ų | 20 | 27.1 Ų | 27.1 | 10% | 0.103 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -71.3 | -32.2 | 176.2 | -70.6 | 162.1 | 0 | 0 | 0 | 111.3 | L96 V97 S102 P103 M104 I375 P378 L379 | L96-I100 WeakPolarHBondContact O-CD1 3.37Å; L96-I100 VanDerWaalsContact O-CG1 3.25Å; L96-I100 WeakPolarHBondContact O-CG1 3.46Å; L96-I100 PolarHBondContact O-N 2.69Å; V97-I100 PolarHBondContact O-N 3.46Å; I100-S102 PolarHBondContact O-N 3.14Å; I100-P103 WeakPolarHBondContact O-CD 3.2Å; I100-P103 VanDerWaalsContact O-CG 3.25Å; I100-P103 WeakPolarHBondContact O-CG 3.39Å; I100-M104 HydrophobicContact CG2-CG 4.12Å; I100-M104 HydrophobicContact CG2-SD 3.65Å; I100-M104 WeakPolarHBondContact O-CG 3.45Å; I100-M104 PolarHBondContact O-N 3.38Å; I100-I375 HydrophobicContact CG2-CG2 3.8Å; I100-P378 HydrophobicContact CD1-CB 4.07Å; I100-P378 HydrophobicContact CG1-CB 3.92Å; I100-P378 HydrophobicContact CG1-CG 4.15Å; I100-L379 HydrophobicContact CD1-CD1 4.36Å; I100-L379 HydrophobicContact CD1-CD2 3.73Å; I100-L379 HydrophobicContact CD1-CG 3.7Å |
| 101 | F | 87.9 | Confident | 84.5 | Confident | 42 Ų | 42 | 25.3 Ų | 25.3 | 18% | 0.184 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.7 | -45.5 | -179.1 | -174.8 | -86.9 | 0 | 0 | 0 | 112.8 | F48 D54 F55 L58 V97 M98 M104 K105 | F48-F101 AromaticContact CE2-CE2 3.82Å; F48-F101 HydrophobicContact CE2-CE2 3.82Å; F48-F101 AromaticContact CE2-CZ 3.91Å; F48-F101 HydrophobicContact CE2-CZ 3.91Å; D54-F101 HydrophobicContact CB-CE1 3.72Å; D54-F101 HydrophobicContact CB-CE2 4.19Å; D54-F101 HydrophobicContact CB-CZ 3.24Å; F55-F101 HydrophobicContact CE2-CE1 4.48Å; L58-F101 HydrophobicContact CD1-CB 4.13Å; L58-F101 HydrophobicContact CD1-CD1 3.51Å; L58-F101 HydrophobicContact CD1-CE1 4.2Å; L58-F101 HydrophobicContact CD1-CG 3.94Å; L58-F101 HydrophobicContact CD2-CB 4.45Å; L58-F101 HydrophobicContact CD2-CG 4.35Å; L58-F101 HydrophobicContact CG-CD1 4.4Å; V97-F101 PolarHBondContact O-N 3.04Å; M98-F101 PolarHBondContact O-N 3.43Å; F101-M104 PolarHBondContact O-N 3.25Å; F101-K105 HydrophobicContact CD1-CB 4.29Å; F101-K105 HydrophobicContact CE1-CB 3.9Å; F101-K105 HydrophobicContact CE1-CD 4.25Å; F101-K105 HydrophobicContact CE1-CG 4.07Å; F101-K105 HydrophobicContact CZ-CB 4.39Å; F101-K105 HydrophobicContact CZ-CD 4.16Å; F101-K105 HydrophobicContact CZ-CG 4.47Å; F101-K105 WeakPolarHBondContact O-CB 3.48Å; F101-K105 PolarHBondContact O-N 3.21Å |
| 102 | S | 85.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -51.2 | -56.4 | 178.6 | -92.4 | 0 | 0 | 0 | 0 | 114.1 | I100 K105 L106 N129 | I100-S102 PolarHBondContact O-N 3.14Å; S102-K105 PolarHBondContact O-N 3.07Å; S102-L106 WeakPolarHBondContact O-CB 3.4Å; S102-L106 PolarHBondContact O-N 3.39Å; S102-N129 WeakPolarHBondContact OG-CB 3.28Å; S102-N129 PolarHBondContact OG-ND2 3.01Å |
| 103 | P | 85.8 | Confident | 83.2 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.013 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.8 | -35.4 | 178.5 | 23.9 | -32.3 | 0 | 0 | 0 | 112.8 | M99 I100 K105 L106 L107 F126 V371 I375 | M99-P103 WeakPolarHBondContact O-CD 3.42Å; M99-P103 WeakPolarHBondContact O-CG 3.21Å; I100-P103 WeakPolarHBondContact O-CD 3.2Å; I100-P103 VanDerWaalsContact O-CG 3.25Å; I100-P103 WeakPolarHBondContact O-CG 3.39Å; P103-K105 VanDerWaalsContact C-N 3.33Å; P103-K105 PolarHBondContact O-N 3.05Å; P103-L106 PolarHBondContact O-N 3.5Å; P103-L107 VanDerWaalsContact O-CG 3.3Å; P103-L107 WeakPolarHBondContact O-CG 3.44Å; P103-L107 PolarHBondContact O-N 2.79Å; P103-F126 HydrophobicContact CB-CE2 4.13Å; P103-V371 HydrophobicContact CB-CG1 3.37Å; P103-I375 HydrophobicContact CB-CD1 4.09Å; P103-I375 HydrophobicContact CB-CG1 3.68Å; P103-I375 HydrophobicContact CG-CD1 4.31Å; P103-I375 HydrophobicContact CG-CG1 3.48Å; P103-I375 VanDerWaalsContact CG-CG1 3.48Å |
| 104 | M | 86.4 | Confident | 82.4 | Confident | 91 Ų | 91 | 31.5 Ų | 31.5 | 45% | 0.448 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 172.5 | -73.2 | -178 | 67.6 | 0 | 0 | 112.1 | F48 I100 F101 L107 G108 I375 | F48-M104 HydrophobicContact CZ-CB 4.42Å; I100-M104 HydrophobicContact CG2-CG 4.12Å; I100-M104 HydrophobicContact CG2-SD 3.65Å; I100-M104 WeakPolarHBondContact O-CG 3.45Å; I100-M104 PolarHBondContact O-N 3.38Å; F101-M104 PolarHBondContact O-N 3.25Å; M104-L107 PolarHBondContact O-N 3.47Å; M104-G108 PolarHBondContact O-N 3.37Å; M104-I375 HydrophobicContact CG-CD1 3.67Å; M104-I375 HydrophobicContact CG-CG1 4.27Å |
| 105 | K | 86 | Confident | 81.4 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.3 | -42.2 | 179.3 | -170.2 | 63.6 | 172.5 | -167 | 0 | 111.8 | F48 S51 D54 F55 F101 S102 P103 L107 G108 L109 F122 | F48-K105 HydrophobicContact CD2-CD 4.23Å; F48-K105 HydrophobicContact CE2-CD 3.86Å; F48-K105 HydrophobicContact CZ-CD 4.06Å; F48-K105 WeakPolarHBondContact O-CE 3.34Å; F48-K105 PolarHBondContact O-NZ 3.25Å; S51-K105 WeakPolarHBondContact O-CE 3.43Å; S51-K105 PolarHBondContact O-NZ 3.21Å; D54-K105 IonicContact OD2-NZ 2.71Å; D54-K105 PolarHBondContact OD2-NZ 3.07Å; F55-K105 HydrophobicContact CE2-CG 3.95Å; F55-K105 HydrophobicContact CZ-CG 4.41Å; F101-K105 HydrophobicContact CD1-CB 4.29Å; F101-K105 HydrophobicContact CE1-CB 3.9Å; F101-K105 HydrophobicContact CE1-CD 4.25Å; F101-K105 HydrophobicContact CE1-CG 4.07Å; F101-K105 HydrophobicContact CZ-CB 4.39Å; F101-K105 HydrophobicContact CZ-CD 4.16Å; F101-K105 HydrophobicContact CZ-CG 4.47Å; F101-K105 WeakPolarHBondContact O-CB 3.48Å; F101-K105 PolarHBondContact O-N 3.21Å; S102-K105 PolarHBondContact O-N 3.07Å; P103-K105 VanDerWaalsContact C-N 3.33Å; P103-K105 PolarHBondContact O-N 3.05Å; K105-L107 VanDerWaalsContact C-N 3.33Å; K105-L107 PolarHBondContact O-N 3Å; K105-G108 PolarHBondContact O-N 3.08Å; K105-L109 HydrophobicContact CD-CD1 4.33Å; K105-L109 HydrophobicContact CG-CD1 3.94Å; K105-L109 WeakPolarHBondContact O-CB 3.14Å; K105-L109 PolarHBondContact O-N 3.49Å; K105-F122 HydrophobicContact CG-CE2 4.34Å; K105-F122 HydrophobicContact CG-CZ 4.27Å |
| 106 | L | 85.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.8 | -43.8 | 175 | 174.6 | 59.7 | 0 | 0 | 0 | 111.4 | S102 P103 S110 W119 F122 W123 F126 W367 V371 | S102-L106 WeakPolarHBondContact O-CB 3.4Å; S102-L106 PolarHBondContact O-N 3.39Å; P103-L106 PolarHBondContact O-N 3.5Å; L106-S110 VanDerWaalsContact O-CB 3.32Å; L106-S110 WeakPolarHBondContact O-CB 3.41Å; L106-S110 PolarHBondContact O-N 3.15Å; L106-W119 HydrophobicContact CD1-CZ3 4.15Å; L106-F122 HydrophobicContact CB-CE1 3.77Å; L106-F122 HydrophobicContact CB-CZ 4.17Å; L106-F122 HydrophobicContact CD1-CD1 3.95Å; L106-F122 HydrophobicContact CD1-CE1 3.45Å; L106-F122 VanDerWaalsContact CD1-CE1 3.45Å; L106-F122 HydrophobicContact CG-CE1 4.13Å; L106-W123 HydrophobicContact CD1-CH2 4.24Å; L106-W123 HydrophobicContact CD1-CZ2 4.17Å; L106-W123 HydrophobicContact CD2-CH2 3.68Å; L106-W123 HydrophobicContact CD2-CZ2 4.42Å; L106-W123 HydrophobicContact CD2-CZ3 3.73Å; L106-F126 HydrophobicContact CB-CD2 4.21Å; L106-F126 HydrophobicContact CB-CE2 4.39Å; L106-F126 HydrophobicContact CD2-CD2 3.96Å; L106-F126 HydrophobicContact CD2-CE2 3.8Å; L106-F126 HydrophobicContact CD2-CG 4.46Å; L106-F126 HydrophobicContact CD2-CZ 4.16Å; L106-W367 HydrophobicContact CD1-CH2 3.94Å; L106-W367 HydrophobicContact CD1-CZ3 3.85Å; L106-W367 HydrophobicContact CD2-CZ3 3.8Å; L106-W367 HydrophobicContact CG-CH2 4.18Å; L106-W367 HydrophobicContact CG-CZ3 3.73Å; L106-V371 HydrophobicContact CD2-CG1 3.91Å; L106-V371 HydrophobicContact CD2-CG2 3.83Å; L106-V371 HydrophobicContact CG-CG1 4.48Å |
| 107 | L | 84.3 | Confident | 80.3 | Confident | 12 Ų | 12 | 37.2 Ų | 37.2 | 6% | 0.063 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -47.3 | 176 | -69.7 | 170.8 | 0 | 0 | 0 | 111.7 | P103 M104 K105 L109 S110 E111 Q368 V371 M372 I375 Y484 | P103-L107 VanDerWaalsContact O-CG 3.3Å; P103-L107 WeakPolarHBondContact O-CG 3.44Å; P103-L107 PolarHBondContact O-N 2.79Å; M104-L107 PolarHBondContact O-N 3.47Å; K105-L107 VanDerWaalsContact C-N 3.33Å; K105-L107 PolarHBondContact O-N 3Å; L107-L109 PolarHBondContact O-N 2.97Å; L107-S110 PolarHBondContact O-N 2.88Å; L107-S110 VanDerWaalsContact O-N 3.1Å; L107-S110 PolarHBondContact O-OG 2.94Å; L107-E111 PolarHBondContact O-N 3.25Å; L107-Q368 HydrophobicContact CD2-CB 3.99Å; L107-Q368 HydrophobicContact CD2-CG 4.4Å; L107-Q368 WeakPolarHBondContact CD2-O 3.25Å; L107-V371 HydrophobicContact CD1-CG1 4.46Å; L107-V371 HydrophobicContact CD2-CG1 4.38Å; L107-V371 HydrophobicContact CG-CG1 4.12Å; L107-M372 HydrophobicContact CD1-CB 4.29Å; L107-M372 HydrophobicContact CD1-CE 3.59Å; L107-M372 HydrophobicContact CD1-SD 3.99Å; L107-I375 HydrophobicContact CD1-CD1 3.89Å; L107-Y484 HydrophobicContact CD2-CE1 4.16Å |
| 108 | G | 80.8 | Confident | 80.1 | Confident | 10 Ų | 10 | 36 Ų | 36 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.9 | -39.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | M104 K105 | M104-G108 PolarHBondContact O-N 3.37Å; K105-G108 PolarHBondContact O-N 3.08Å |
| 109 | L | 80.7 | Confident | 79.9 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72 | -29.6 | 174.6 | -81.8 | 154.3 | 0 | 0 | 0 | 112.7 | Q49 V52 K105 L107 E111 H112 V117 W119 F122 | Q49-L109 VanDerWaalsContact O-CD2 3.27Å; Q49-L109 WeakPolarHBondContact O-CD2 3.35Å; V52-L109 HydrophobicContact CG1-CD1 4.49Å; K105-L109 HydrophobicContact CD-CD1 4.33Å; K105-L109 HydrophobicContact CG-CD1 3.94Å; K105-L109 WeakPolarHBondContact O-CB 3.14Å; K105-L109 PolarHBondContact O-N 3.49Å; L107-L109 PolarHBondContact O-N 2.97Å; L109-E111 VanDerWaalsContact C-N 3.35Å; L109-H112 CarbonylContact O-C 3.54Å; L109-V117 HydrophobicContact CD2-CG2 4.07Å; L109-W119 HydrophobicContact CB-CH2 4.11Å; L109-F122 HydrophobicContact CD1-CD2 3.87Å; L109-F122 HydrophobicContact CD1-CE1 4.34Å; L109-F122 HydrophobicContact CD1-CE2 3.2Å; L109-F122 HydrophobicContact CD1-CZ 3.48Å; L109-F122 VanDerWaalsContact CD1-CZ 3.48Å |
| 110 | S | 78.4 | Confident | 79.9 | Confident | 14 Ų | 14 | 42.8 Ų | 42.8 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.5 | -29.3 | -178.3 | 76.6 | 0 | 0 | 0 | 0 | 113.4 | L106 L107 | L106-S110 VanDerWaalsContact O-CB 3.32Å; L106-S110 WeakPolarHBondContact O-CB 3.41Å; L106-S110 PolarHBondContact O-N 3.15Å; L107-S110 PolarHBondContact O-N 2.88Å; L107-S110 VanDerWaalsContact O-N 3.1Å; L107-S110 PolarHBondContact O-OG 2.94Å |
| 111 | E | 75.1 | Confident | 79.9 | Confident | 69 Ų | 69 | 46 Ų | 46 | 32% | 0.322 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -79.1 | -32.2 | 178.5 | -70.6 | 176.1 | -171.8 | 0 | 0 | 112.4 | L107 L109 Y484 | L107-E111 PolarHBondContact O-N 3.25Å; L109-E111 VanDerWaalsContact C-N 3.35Å; E111-Y484 WeakPolarHBondContact OE1-CE2 3.43Å; E111-Y484 PolarHBondContact OE1-OH 3.31Å |
| 112 | H | 72 | Confident | 79.9 | Confident | 106 Ų | 106 | 44 Ų | 44 | 49% | 0.491 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -125.4 | 79.3 | 177.1 | -67.1 | -70 | 0 | 0 | 0 | 110.4 | Q49 L109 S114 | Q49-H112 HydrophobicContact CB-CB 4.46Å; Q49-H112 VanDerWaalsContact CD-CD2 3.43Å; Q49-H112 PolarHBondContact NE2-CD2 3Å; Q49-H112 PolarHBondContact OE1-CD2 2.92Å; L109-H112 CarbonylContact O-C 3.54Å; H112-S114 PolarHBondContact O-N 3.03Å |
| 113 | P | 67.2 | Low | 79.9 | Confident | 88 Ų | 88 | 48.7 Ų | 48.7 | 57% | 0.571 | 26% | 0.262 | S | S | * | . | trans | -63.8 | 102.5 | 178.5 | 24.8 | -32.5 | 0 | 0 | 0 | 110 | W119 | P113-W119 HydrophobicContact CB-CZ2 4.33Š| ||
| 114 | S | 67.8 | Low | 80 | Confident | 27 Ų | 27 | 53 Ų | 53 | 19% | 0.189 | 28% | 0.284 | C | S | . | . | trans | -71.7 | 135.4 | 172.1 | 57.8 | 0 | 0 | 0 | 0 | 109.9 | H112 G116 V117 | H112-S114 PolarHBondContact O-N 3.03Å; S114-G116 PolarHBondContact O-N 3.45Å; S114-V117 PolarHBondContact O-N 3.4Å; S114-V117 WeakPolarHBondContact OG-CG2 3.31Å | ||
| 115 | P | 66.4 | Low | 80.1 | Confident | 142 Ų | 142 | 48.6 Ų | 48.6 | 92% | 0.922 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -14.6 | -173.9 | 23.4 | -33.2 | 0 | 0 | 0 | 114.7 | ||
| 116 | G | 71.2 | Confident | 80.1 | Confident | 25 Ų | 25 | 49.8 Ų | 49.8 | 26% | 0.258 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 0.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116 | Q33 S114 | Q33-G116 PolarHBondContact N-O 3.43Å; Q33-G116 VanDerWaalsContact N-O 3.09Å; S114-G116 PolarHBondContact O-N 3.45Å |
| 117 | V | 78.2 | Confident | 80.2 | Confident | 14 Ų | 14 | 53.1 Ų | 53.1 | 9% | 0.085 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -98.2 | 121.5 | -176.2 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | T31 L109 S114 W119 F122 | T31-V117 HydrophobicContact CG2-CG1 3.96Å; T31-V117 CarbonylContact O-C 3.52Å; T31-V117 WeakPolarHBondContact O-CA 3.38Å; L109-V117 HydrophobicContact CD2-CG2 4.07Å; S114-V117 PolarHBondContact O-N 3.4Å; S114-V117 WeakPolarHBondContact OG-CG2 3.31Å; V117-W119 PolarHBondContact O-N 3Å; V117-F122 HydrophobicContact CG1-CB 4.43Å |
| 118 | N | 83 | Confident | 80.6 | Confident | 65 Ų | 65 | 54.5 Ų | 54.5 | 35% | 0.348 | 30% | 0.295 | S | S | . | . | trans | -89.6 | 101.9 | 176.2 | -164.5 | -14.7 | 0 | 0 | 0 | 110.7 | T31 P120 W121 F122 | T31-N118 PolarHBondContact O-N 2.74Å; N118-P120 WeakPolarHBondContact OD1-CD 3.25Å; N118-W121 VanDerWaalsContact CG-CD1 3.43Å; N118-W121 PolarHBondContact ND2-NE1 2.94Å; N118-W121 PolarHBondContact O-N 2.9Å; N118-F122 PolarHBondContact O-N 2.96Å; N118-F122 VanDerWaalsContact O-N 3.11Å | ||
| 119 | W | 83.2 | Confident | 81 | Confident | 83 Ų | 83 | 54.1 Ų | 54.1 | 31% | 0.314 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55.8 | -46.6 | -171.3 | -73.1 | 103.1 | 0 | 0 | 0 | 115.8 | L106 L109 P113 V117 W121 F122 W123 | L106-W119 HydrophobicContact CD1-CZ3 4.15Å; L109-W119 HydrophobicContact CB-CH2 4.11Å; P113-W119 HydrophobicContact CB-CZ2 4.33Å; V117-W119 PolarHBondContact O-N 3Å; W119-W121 VanDerWaalsContact C-N 3.29Å; W119-W121 PolarHBondContact O-N 2.89Å; W119-F122 HydrophobicContact CE3-CD1 4.41Å; W119-F122 HydrophobicContact CZ3-CD1 4.35Å; W119-F122 WeakPolarHBondContact O-CB 3.27Å; W119-F122 PolarHBondContact O-N 3.07Å; W119-F122 VanDerWaalsContact O-N 3.13Å; W119-W123 PolarHBondContact O-N 3.26Å |
| 120 | P | 85.5 | Confident | 81.3 | Confident | 87 Ų | 87 | 56.4 Ų | 56.4 | 57% | 0.565 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -52.2 | -43.2 | 174.8 | -29.5 | 32.2 | 0 | 0 | 0 | 114.2 | N118 W123 L124 | N118-P120 WeakPolarHBondContact OD1-CD 3.25Å; P120-W123 PolarHBondContact O-N 3.34Å; P120-L124 PolarHBondContact O-N 2.9Å |
| 121 | W | 86.8 | Confident | 81.8 | Confident | 88 Ų | 88 | 61 Ų | 61 | 33% | 0.333 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -72.2 | -35.1 | 178.3 | -62.9 | 118.7 | 0 | 0 | 0 | 112 | L27 Q30 T31 N118 W119 W123 L124 L125 | L27-W121 HydrophobicContact CD2-CE3 3.87Å; L27-W121 HydrophobicContact CD2-CZ3 4.39Å; Q30-W121 HydrophobicContact CB-CB 4.17Å; Q30-W121 HydrophobicContact CB-CD2 3.74Å; Q30-W121 HydrophobicContact CB-CE3 4.32Å; Q30-W121 HydrophobicContact CB-CG 3.65Å; Q30-W121 HydrophobicContact CG-CD2 4.44Å; Q30-W121 VanDerWaalsContact O-CD1 3.24Å; Q30-W121 VanDerWaalsContact OE1-CD2 3.32Å; T31-W121 VanDerWaalsContact OG1-C 3.3Å; T31-W121 WeakPolarHBondContact OG1-CB 3.47Å; N118-W121 VanDerWaalsContact CG-CD1 3.43Å; N118-W121 PolarHBondContact ND2-NE1 2.94Å; N118-W121 PolarHBondContact O-N 2.9Å; W119-W121 VanDerWaalsContact C-N 3.29Å; W119-W121 PolarHBondContact O-N 2.89Å; W121-W123 VanDerWaalsContact C-N 3.35Å; W121-W123 PolarHBondContact O-N 2.74Å; W121-L124 HydrophobicContact CE3-CD1 3.61Å; W121-L124 HydrophobicContact CZ3-CD1 3.78Å; W121-L124 PolarHBondContact O-N 3.02Å; W121-L125 WeakPolarHBondContact O-CB 3.31Å; W121-L125 PolarHBondContact O-N 2.84Å |
| 122 | F | 87.2 | Confident | 82.5 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 172.2 | -174.9 | -94 | 0 | 0 | 0 | 112.1 | T31 V52 F55 K105 L106 L109 V117 N118 W119 L124 L125 F126 | T31-F122 HydrophobicContact CG2-CB 3.75Å; T31-F122 HydrophobicContact CG2-CD2 4.02Å; T31-F122 HydrophobicContact CG2-CG 4.4Å; T31-F122 PolarHBondContact OG1-N 3.4Å; V52-F122 HydrophobicContact CG1-CD2 3.96Å; V52-F122 HydrophobicContact CG1-CE2 4.07Å; F55-F122 AromaticContact CE2-CE2 3.97Å; F55-F122 HydrophobicContact CE2-CE2 3.97Å; F55-F122 HydrophobicContact CZ-CE2 4.34Å; K105-F122 HydrophobicContact CG-CE2 4.34Å; K105-F122 HydrophobicContact CG-CZ 4.27Å; L106-F122 HydrophobicContact CB-CE1 3.77Å; L106-F122 HydrophobicContact CB-CZ 4.17Å; L106-F122 HydrophobicContact CD1-CD1 3.95Å; L106-F122 HydrophobicContact CD1-CE1 3.45Å; L106-F122 VanDerWaalsContact CD1-CE1 3.45Å; L106-F122 HydrophobicContact CG-CE1 4.13Å; L109-F122 HydrophobicContact CD1-CD2 3.87Å; L109-F122 HydrophobicContact CD1-CE1 4.34Å; L109-F122 HydrophobicContact CD1-CE2 3.2Å; L109-F122 HydrophobicContact CD1-CZ 3.48Å; L109-F122 VanDerWaalsContact CD1-CZ 3.48Å; V117-F122 HydrophobicContact CG1-CB 4.43Å; N118-F122 PolarHBondContact O-N 2.96Å; N118-F122 VanDerWaalsContact O-N 3.11Å; W119-F122 HydrophobicContact CE3-CD1 4.41Å; W119-F122 HydrophobicContact CZ3-CD1 4.35Å; W119-F122 WeakPolarHBondContact O-CB 3.27Å; W119-F122 PolarHBondContact O-N 3.07Å; W119-F122 VanDerWaalsContact O-N 3.13Å; F122-L124 VanDerWaalsContact C-N 3.32Å; F122-L124 PolarHBondContact O-N 3.39Å; F122-L125 WeakPolarHBondContact O-CB 3.38Å; F122-L125 PolarHBondContact O-N 3.01Å; F122-F126 HydrophobicContact CE1-CB 4.45Å; F122-F126 WeakPolarHBondContact O-CB 3.4Å; F122-F126 PolarHBondContact O-N 2.83Å |
| 123 | W | 85.9 | Confident | 83.3 | Confident | 98 Ų | 98 | 52.7 Ų | 52.7 | 37% | 0.371 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 175.7 | -80.4 | 109 | 0 | 0 | 0 | 112.3 | L106 W119 P120 W121 F126 C127 W367 | L106-W123 HydrophobicContact CD1-CH2 4.24Å; L106-W123 HydrophobicContact CD1-CZ2 4.17Å; L106-W123 HydrophobicContact CD2-CH2 3.68Å; L106-W123 HydrophobicContact CD2-CZ2 4.42Å; L106-W123 HydrophobicContact CD2-CZ3 3.73Å; W119-W123 PolarHBondContact O-N 3.26Å; P120-W123 PolarHBondContact O-N 3.34Å; W121-W123 VanDerWaalsContact C-N 3.35Å; W121-W123 PolarHBondContact O-N 2.74Å; W123-F126 HydrophobicContact CE3-CD1 4.1Å; W123-F126 HydrophobicContact CZ3-CD1 4.26Å; W123-F126 HydrophobicContact CZ3-CE1 4.31Å; W123-F126 PolarHBondContact O-N 3.02Å; W123-C127 WeakPolarHBondContact O-CB 3.15Å; W123-C127 PolarHBondContact O-N 3.39Å; W123-C127 PolarHBondContact O-SG 2.83Å; W123-C127 VanDerWaalsContact O-SG 3.35Å; W123-W367 AromaticContact CH2-CE3 3.96Å; W123-W367 HydrophobicContact CH2-CE3 3.96Å; W123-W367 AromaticContact CH2-CZ3 3.99Å; W123-W367 HydrophobicContact CH2-CZ3 3.99Å; W123-W367 HydrophobicContact CZ2-CE3 4.26Å; W123-W367 HydrophobicContact CZ2-CZ3 4.13Å |
| 124 | L | 88.1 | Confident | 84.2 | Confident | 92 Ų | 92 | 52.5 Ų | 52.5 | 48% | 0.482 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 173.1 | -74.3 | 169.5 | 0 | 0 | 0 | 111.8 | L27 P120 W121 F122 C127 W128 | L27-L124 HydrophobicContact CD2-CB 3.78Å; L27-L124 HydrophobicContact CD2-CD1 4.45Å; P120-L124 PolarHBondContact O-N 2.9Å; W121-L124 HydrophobicContact CE3-CD1 3.61Å; W121-L124 HydrophobicContact CZ3-CD1 3.78Å; W121-L124 PolarHBondContact O-N 3.02Å; F122-L124 VanDerWaalsContact C-N 3.32Å; F122-L124 PolarHBondContact O-N 3.39Å; L124-C127 PolarHBondContact O-N 2.81Å; L124-W128 WeakPolarHBondContact O-CB 3.38Å; L124-W128 PolarHBondContact O-N 2.99Å |
| 125 | L | 87.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 175.1 | -177.3 | 63.6 | 0 | 0 | 0 | 112 | T24 L27 V52 F55 W121 F122 W128 N129 | T24-L125 HydrophobicContact CG2-CD1 4.02Å; L27-L125 HydrophobicContact CB-CB 4.15Å; L27-L125 HydrophobicContact CB-CD1 3.86Å; L27-L125 HydrophobicContact CD1-CD1 4.42Å; V52-L125 HydrophobicContact CB-CD2 4.33Å; F55-L125 HydrophobicContact CB-CD1 4.41Å; F55-L125 HydrophobicContact CB-CD2 4.44Å; F55-L125 HydrophobicContact CD1-CD1 4.12Å; F55-L125 HydrophobicContact CD1-CD2 4.27Å; F55-L125 HydrophobicContact CD1-CG 3.99Å; F55-L125 HydrophobicContact CD2-CD2 3.55Å; F55-L125 HydrophobicContact CD2-CG 4.17Å; F55-L125 HydrophobicContact CE1-CD2 4.41Å; F55-L125 HydrophobicContact CE1-CG 4.02Å; F55-L125 HydrophobicContact CE2-CD2 3.71Å; F55-L125 HydrophobicContact CE2-CG 4.2Å; F55-L125 HydrophobicContact CG-CD1 4.18Å; F55-L125 HydrophobicContact CG-CD2 3.84Å; F55-L125 HydrophobicContact CG-CG 4.06Å; F55-L125 HydrophobicContact CZ-CD2 4.16Å; F55-L125 HydrophobicContact CZ-CG 4.13Å; W121-L125 WeakPolarHBondContact O-CB 3.31Å; W121-L125 PolarHBondContact O-N 2.84Å; F122-L125 WeakPolarHBondContact O-CB 3.38Å; F122-L125 PolarHBondContact O-N 3.01Å; L125-W128 PolarHBondContact O-N 3.08Å; L125-N129 WeakPolarHBondContact O-CB 3.26Å; L125-N129 PolarHBondContact O-N 2.86Å |
| 126 | F | 86.7 | Confident | 86.1 | Confident | 24 Ų | 24 | 45.9 Ų | 45.9 | 11% | 0.105 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.4 | -54.2 | 175.4 | 168.6 | -92.1 | 0 | 0 | 0 | 111.5 | P103 L106 F122 W123 W128 N129 I130 | P103-F126 HydrophobicContact CB-CE2 4.13Å; L106-F126 HydrophobicContact CB-CD2 4.21Å; L106-F126 HydrophobicContact CB-CE2 4.39Å; L106-F126 HydrophobicContact CD2-CD2 3.96Å; L106-F126 HydrophobicContact CD2-CE2 3.8Å; L106-F126 HydrophobicContact CD2-CG 4.46Å; L106-F126 HydrophobicContact CD2-CZ 4.16Å; F122-F126 HydrophobicContact CE1-CB 4.45Å; F122-F126 WeakPolarHBondContact O-CB 3.4Å; F122-F126 PolarHBondContact O-N 2.83Å; W123-F126 HydrophobicContact CE3-CD1 4.1Å; W123-F126 HydrophobicContact CZ3-CD1 4.26Å; W123-F126 HydrophobicContact CZ3-CE1 4.31Å; W123-F126 PolarHBondContact O-N 3.02Å; F126-W128 VanDerWaalsContact C-N 3.33Å; F126-W128 PolarHBondContact O-N 3.2Å; F126-N129 PolarHBondContact O-N 3.1Å; F126-I130 HydrophobicContact CD1-CD1 4.12Å; F126-I130 HydrophobicContact CD2-CD1 4.4Å; F126-I130 HydrophobicContact CE1-CD1 3.51Å; F126-I130 HydrophobicContact CE2-CD1 3.82Å; F126-I130 HydrophobicContact CZ-CD1 3.34Å; F126-I130 PolarHBondContact O-N 3.35Å; F126-I130 VanDerWaalsContact O-N 3.16Å |
| 127 | C | 88.1 | Confident | 86.7 | Confident | 71 Ų | 71 | 45.4 Ų | 45.4 | 48% | 0.48 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.8 | -41.6 | 178.2 | -73.7 | 0 | 0 | 0 | 0 | 111.5 | W123 L124 I130 F131 | W123-C127 WeakPolarHBondContact O-CB 3.15Å; W123-C127 PolarHBondContact O-N 3.39Å; W123-C127 PolarHBondContact O-SG 2.83Å; W123-C127 VanDerWaalsContact O-SG 3.35Å; L124-C127 PolarHBondContact O-N 2.81Å; C127-I130 PolarHBondContact O-N 3.43Å; C127-F131 WeakPolarHBondContact O-CB 3.29Å; C127-F131 PolarHBondContact O-N 3.39Å |
| 128 | W | 91.8 | Very high | 86.8 | Confident | 41 Ų | 41 | 49.4 Ų | 49.4 | 16% | 0.155 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.2 | -47.6 | 178 | -179 | -104.3 | 0 | 0 | 0 | 111.5 | L19 D20 L23 L27 L124 L125 F126 I130 F131 S132 | L19-W128 HydrophobicContact CD2-CH2 3.25Å; L19-W128 HydrophobicContact CD2-CZ2 3.52Å; L19-W128 HydrophobicContact CD2-CZ3 4.37Å; D20-W128 HydrophobicContact CB-CZ2 4.48Å; D20-W128 PolarHBondContact OD1-NE1 3.47Å; L23-W128 HydrophobicContact CB-CD2 4.32Å; L23-W128 HydrophobicContact CB-CZ2 4.27Å; L23-W128 HydrophobicContact CD1-CD2 4.07Å; L23-W128 HydrophobicContact CD1-CE3 3.97Å; L23-W128 HydrophobicContact CD1-CH2 3.4Å; L23-W128 VanDerWaalsContact CD1-CH2 3.4Å; L23-W128 HydrophobicContact CD1-CZ2 3.47Å; L23-W128 VanDerWaalsContact CD1-CZ2 3.47Å; L23-W128 HydrophobicContact CD1-CZ3 3.64Å; L27-W128 HydrophobicContact CD1-CB 3.94Å; L27-W128 HydrophobicContact CD1-CG 4.18Å; L124-W128 WeakPolarHBondContact O-CB 3.38Å; L124-W128 PolarHBondContact O-N 2.99Å; L125-W128 PolarHBondContact O-N 3.08Å; F126-W128 VanDerWaalsContact C-N 3.33Å; F126-W128 PolarHBondContact O-N 3.2Å; W128-I130 PolarHBondContact O-N 3.18Å; W128-F131 HydrophobicContact CE3-CD1 4.22Å; W128-F131 HydrophobicContact CH2-CD1 4.21Å; W128-F131 HydrophobicContact CH2-CE1 4.3Å; W128-F131 AromaticContact CZ3-CD1 3.81Å; W128-F131 HydrophobicContact CZ3-CD1 3.81Å; W128-F131 HydrophobicContact CZ3-CE1 4.08Å; W128-F131 PolarHBondContact O-N 2.89Å; W128-S132 WeakPolarHBondContact O-CB 3.39Å; W128-S132 PolarHBondContact O-N 2.72Å; W128-S132 PolarHBondContact O-OG 3.03Å |
| 129 | N | 89.9 | Confident | 86.8 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.2 | -40.8 | 179 | -178.8 | 27.2 | 0 | 0 | 0 | 112.3 | F55 L58 M98 S102 L125 F126 S132 S133 | F55-N129 HydrophobicContact CD1-CB 4.17Å; F55-N129 HydrophobicContact CE1-CB 3.85Å; L58-N129 WeakPolarHBondContact CD1-ND2 3.47Å; M98-N129 PolarHBondContact O-ND2 3.21Å; S102-N129 WeakPolarHBondContact OG-CB 3.28Å; S102-N129 PolarHBondContact OG-ND2 3.01Å; L125-N129 WeakPolarHBondContact O-CB 3.26Å; L125-N129 PolarHBondContact O-N 2.86Å; F126-N129 PolarHBondContact O-N 3.1Å; N129-S132 VanDerWaalsContact CA-OG 3.27Å; N129-S132 WeakPolarHBondContact CA-OG 3.4Å; N129-S132 PolarHBondContact O-OG 2.86Å; N129-S132 VanDerWaalsContact O-OG 3.09Å; N129-S133 WeakPolarHBondContact O-CB 3.41Å; N129-S133 PolarHBondContact O-N 3.47Å; N129-S133 PolarHBondContact O-OG 2.96Å; N129-S133 PolarHBondContact OD1-OG 3.12Å |
| 130 | I | 87.4 | Confident | 86.6 | Confident | 49 Ų | 49 | 43.7 Ų | 43.7 | 25% | 0.251 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.5 | -50.3 | 175.1 | -67.8 | 172 | 0 | 0 | 0 | 110.3 | F126 C127 W128 S132 S133 L134 | F126-I130 HydrophobicContact CD1-CD1 4.12Å; F126-I130 HydrophobicContact CD2-CD1 4.4Å; F126-I130 HydrophobicContact CE1-CD1 3.51Å; F126-I130 HydrophobicContact CE2-CD1 3.82Å; F126-I130 HydrophobicContact CZ-CD1 3.34Å; F126-I130 PolarHBondContact O-N 3.35Å; F126-I130 VanDerWaalsContact O-N 3.16Å; C127-I130 PolarHBondContact O-N 3.43Å; W128-I130 PolarHBondContact O-N 3.18Å; I130-S132 PolarHBondContact O-N 3.41Å; I130-S133 PolarHBondContact O-N 2.71Å; I130-L134 HydrophobicContact CG2-CD1 4.15Å; I130-L134 WeakPolarHBondContact O-CG 3.45Å; I130-L134 PolarHBondContact O-N 2.95Å |
| 131 | F | 88.8 | Confident | 85.9 | Confident | 111 Ų | 111 | 41.7 Ų | 41.7 | 49% | 0.487 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.7 | -47.8 | 179.5 | 175.1 | -101.5 | 0 | 0 | 0 | 111.9 | C127 W128 L134 V135 | C127-F131 WeakPolarHBondContact O-CB 3.29Å; C127-F131 PolarHBondContact O-N 3.39Å; W128-F131 HydrophobicContact CE3-CD1 4.22Å; W128-F131 HydrophobicContact CH2-CD1 4.21Å; W128-F131 HydrophobicContact CH2-CE1 4.3Å; W128-F131 AromaticContact CZ3-CD1 3.81Å; W128-F131 HydrophobicContact CZ3-CD1 3.81Å; W128-F131 HydrophobicContact CZ3-CE1 4.08Å; W128-F131 PolarHBondContact O-N 2.89Å; F131-L134 WeakPolarHBondContact O-CB 3.44Å; F131-L134 PolarHBondContact O-N 3.46Å; F131-V135 HydrophobicContact CD1-CG2 4.26Å; F131-V135 HydrophobicContact CE1-CG2 3.8Å; F131-V135 HydrophobicContact CE2-CG2 4.13Å; F131-V135 HydrophobicContact CZ-CG2 3.73Å; F131-V135 WeakPolarHBondContact O-CG2 3.43Å; F131-V135 PolarHBondContact O-N 2.92Å |
| 132 | S | 89 | Confident | 85 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.3 | -31.1 | -177.4 | 57.3 | 0 | 0 | 0 | 0 | 112.7 | F16 R62 W128 N129 I130 V135 F136 | F16-S132 WeakPolarHBondContact CZ-O 3.39Å; R62-S132 PolarHBondContact NH1-OG 2.84Å; W128-S132 WeakPolarHBondContact O-CB 3.39Å; W128-S132 PolarHBondContact O-N 2.72Å; W128-S132 PolarHBondContact O-OG 3.03Å; N129-S132 VanDerWaalsContact CA-OG 3.27Å; N129-S132 WeakPolarHBondContact CA-OG 3.4Å; N129-S132 PolarHBondContact O-OG 2.86Å; N129-S132 VanDerWaalsContact O-OG 3.09Å; I130-S132 PolarHBondContact O-N 3.41Å; S132-V135 PolarHBondContact O-N 3.05Å; S132-F136 WeakPolarHBondContact O-CB 3.45Å; S132-F136 PolarHBondContact O-N 2.93Å |
| 133 | S | 88.4 | Confident | 84 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.2 | -36.5 | 168.8 | -62.7 | 0 | 0 | 0 | 0 | 112.5 | M98 N129 I130 F136 A137 | M98-S133 VanDerWaalsContact CB-OG 3.31Å; M98-S133 WeakPolarHBondContact CB-OG 3.49Å; N129-S133 WeakPolarHBondContact O-CB 3.41Å; N129-S133 PolarHBondContact O-N 3.47Å; N129-S133 PolarHBondContact O-OG 2.96Å; N129-S133 PolarHBondContact OD1-OG 3.12Å; I130-S133 PolarHBondContact O-N 2.71Å; S133-F136 WeakPolarHBondContact O-CB 3.42Å; S133-F136 PolarHBondContact O-N 2.86Å; S133-A137 PolarHBondContact O-N 3.29Å |
| 134 | L | 86.4 | Confident | 83 | Confident | 84 Ų | 84 | 37.3 Ų | 37.3 | 44% | 0.44 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.6 | -45.1 | 171.2 | -75 | 171.5 | 0 | 0 | 0 | 111.6 | M99 I130 F131 F136 A137 L138 | M99-L134 HydrophobicContact CE-CD2 4.32Å; M99-L134 HydrophobicContact SD-CD2 3.57Å; M99-L134 VanDerWaalsContact SD-CD2 3.57Å; M99-L134 HydrophobicContact SD-CG 3.69Å; I130-L134 HydrophobicContact CG2-CD1 4.15Å; I130-L134 WeakPolarHBondContact O-CG 3.45Å; I130-L134 PolarHBondContact O-N 2.95Å; F131-L134 WeakPolarHBondContact O-CB 3.44Å; F131-L134 PolarHBondContact O-N 3.46Å; L134-F136 VanDerWaalsContact C-N 3.32Å; L134-F136 PolarHBondContact O-N 2.94Å; L134-A137 PolarHBondContact O-N 3.11Å; L134-L138 WeakPolarHBondContact O-CB 3.25Å; L134-L138 VanDerWaalsContact O-CG 3.31Å; L134-L138 WeakPolarHBondContact O-CG 3.21Å; L134-L138 PolarHBondContact O-N 3.45Å |
| 135 | V | 86.6 | Confident | 81.8 | Confident | 31 Ų | 31 | 33.5 Ų | 33.5 | 19% | 0.188 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.2 | -42.6 | 174.9 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | F16 F131 S132 A137 L138 L139 | F16-V135 HydrophobicContact CD1-CG1 4.38Å; F16-V135 HydrophobicContact CD2-CG1 3.8Å; F16-V135 HydrophobicContact CE1-CG1 4.08Å; F16-V135 HydrophobicContact CE2-CB 3.79Å; F16-V135 HydrophobicContact CE2-CG1 3.45Å; F16-V135 VanDerWaalsContact CE2-CG1 3.45Å; F16-V135 HydrophobicContact CE2-CG2 4.34Å; F16-V135 HydrophobicContact CG-CG1 4.25Å; F16-V135 HydrophobicContact CZ-CB 3.77Å; F16-V135 HydrophobicContact CZ-CG1 3.61Å; F131-V135 HydrophobicContact CD1-CG2 4.26Å; F131-V135 HydrophobicContact CE1-CG2 3.8Å; F131-V135 HydrophobicContact CE2-CG2 4.13Å; F131-V135 HydrophobicContact CZ-CG2 3.73Å; F131-V135 WeakPolarHBondContact O-CG2 3.43Å; F131-V135 PolarHBondContact O-N 2.92Å; S132-V135 PolarHBondContact O-N 3.05Å; V135-A137 PolarHBondContact O-N 3.41Å; V135-L138 PolarHBondContact O-N 2.75Å; V135-L139 HydrophobicContact CG1-CD1 4.07Å; V135-L139 HydrophobicContact CG1-CG 4.23Å; V135-L139 WeakPolarHBondContact O-CB 3.16Å; V135-L139 VanDerWaalsContact O-CG 3.3Å; V135-L139 WeakPolarHBondContact O-CG 3.05Å; V135-L139 PolarHBondContact O-N 3.46Å |
| 136 | F | 88.1 | Confident | 80.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.9 | -49.3 | 172.9 | 176.3 | -83.8 | 0 | 0 | 0 | 111.4 | R62 V65 I66 F91 L94 A95 S132 S133 L134 L138 L139 F140 | R62-F136 HydrophobicContact CB-CD2 4.06Å; R62-F136 HydrophobicContact CB-CE2 4.35Å; R62-F136 HydrophobicContact CG-CD2 3.91Å; R62-F136 HydrophobicContact CG-CE2 4.29Å; R62-F136 HydrophobicContact CG-CG 4.36Å; V65-F136 HydrophobicContact CB-CE2 4.11Å; V65-F136 HydrophobicContact CB-CZ 4.22Å; V65-F136 HydrophobicContact CG1-CE2 3.9Å; V65-F136 HydrophobicContact CG1-CZ 3.69Å; I66-F136 HydrophobicContact CD1-CD2 3.84Å; I66-F136 HydrophobicContact CD1-CE2 4.4Å; I66-F136 HydrophobicContact CG1-CD2 3.86Å; I66-F136 HydrophobicContact CG1-CE2 3.97Å; F91-F136 HydrophobicContact CB-CE1 4.47Å; L94-F136 HydrophobicContact CD2-CE1 4.46Å; L94-F136 HydrophobicContact CD2-CZ 4.05Å; A95-F136 HydrophobicContact CB-CD1 3.68Å; A95-F136 HydrophobicContact CB-CE1 4.11Å; S132-F136 WeakPolarHBondContact O-CB 3.45Å; S132-F136 PolarHBondContact O-N 2.93Å; S133-F136 WeakPolarHBondContact O-CB 3.42Å; S133-F136 PolarHBondContact O-N 2.86Å; L134-F136 VanDerWaalsContact C-N 3.32Å; L134-F136 PolarHBondContact O-N 2.94Å; F136-L138 VanDerWaalsContact C-N 3.33Å; F136-L138 PolarHBondContact O-N 2.58Å; F136-L139 PolarHBondContact O-N 3.09Å; F136-F140 HydrophobicContact CD1-CD2 4.16Å; F136-F140 HydrophobicContact CD2-CD2 4.25Å; F136-F140 AromaticContact CD2-CE2 3.95Å; F136-F140 HydrophobicContact CD2-CE2 3.95Å; F136-F140 AromaticContact CE1-CD2 3.87Å; F136-F140 HydrophobicContact CE1-CD2 3.87Å; F136-F140 HydrophobicContact CE1-CE2 4.08Å; F136-F140 AromaticContact CE2-CD2 3.98Å; F136-F140 HydrophobicContact CE2-CD2 3.98Å; F136-F140 AromaticContact CE2-CE2 3.41Å; F136-F140 HydrophobicContact CE2-CE2 3.41Å; F136-F140 VanDerWaalsContact CE2-CE2 3.41Å; F136-F140 HydrophobicContact CE2-CZ 4.37Å; F136-F140 HydrophobicContact CG-CD2 4.33Å; F136-F140 HydrophobicContact CG-CE2 4.48Å; F136-F140 AromaticContact CZ-CD2 3.77Å; F136-F140 HydrophobicContact CZ-CD2 3.77Å; F136-F140 AromaticContact CZ-CE2 3.48Å; F136-F140 HydrophobicContact CZ-CE2 3.48Å; F136-F140 VanDerWaalsContact CZ-CE2 3.48Å; F136-F140 HydrophobicContact CZ-CZ 4.34Å; F136-F140 WeakPolarHBondContact O-CD2 3.4Å; F136-F140 PolarHBondContact O-N 2.88Å; F136-F140 VanDerWaalsContact O-N 3.11Å |
| 137 | A | 83.6 | Confident | 79.2 | Confident | 14 Ų | 14 | 40.2 Ų | 40.2 | 12% | 0.116 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L92 A95 S133 L134 V135 S141 | L92-A137 HydrophobicContact CD1-CB 4.27Å; A95-A137 HydrophobicContact CB-CB 3.79Å; S133-A137 PolarHBondContact O-N 3.29Å; L134-A137 PolarHBondContact O-N 3.11Å; V135-A137 PolarHBondContact O-N 3.41Å; A137-S141 VanDerWaalsContact O-CB 3.26Å; A137-S141 WeakPolarHBondContact O-CB 3.25Å; A137-S141 PolarHBondContact O-N 3.44Å; A137-S141 PolarHBondContact O-OG 2.87Å |
| 138 | L | 81.4 | Confident | 77.4 | Confident | 98 Ų | 98 | 40.4 Ų | 40.4 | 51% | 0.513 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66 | -44.3 | 176.9 | -74 | 170.6 | 0 | 0 | 0 | 111.7 | L134 V135 F136 F140 S141 T142 | L134-L138 WeakPolarHBondContact O-CB 3.25Å; L134-L138 VanDerWaalsContact O-CG 3.31Å; L134-L138 WeakPolarHBondContact O-CG 3.21Å; L134-L138 PolarHBondContact O-N 3.45Å; V135-L138 PolarHBondContact O-N 2.75Å; F136-L138 VanDerWaalsContact C-N 3.33Å; F136-L138 PolarHBondContact O-N 2.58Å; L138-F140 VanDerWaalsContact C-N 3.32Å; L138-F140 PolarHBondContact O-N 3.22Å; L138-S141 WeakPolarHBondContact CA-OG 3.33Å; L138-S141 PolarHBondContact O-N 2.93Å; L138-S141 PolarHBondContact O-OG 3.33Å; L138-T142 HydrophobicContact CD2-CG2 4.45Å; L138-T142 WeakPolarHBondContact O-CB 3.19Å; L138-T142 PolarHBondContact O-N 3.35Å; L138-T142 PolarHBondContact O-OG1 2.89Å |
| 139 | L | 82.6 | Confident | 75.3 | Confident | 26 Ų | 26 | 40.3 Ų | 40.3 | 14% | 0.136 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -57.2 | -45.8 | 176.5 | -76.5 | 173 | 0 | 0 | 0 | 111.1 | F16 I66 V135 F136 V143 L144 | F16-L139 HydrophobicContact CD1-CD1 3.93Å; F16-L139 HydrophobicContact CE1-CD1 4.31Å; F16-L139 HydrophobicContact CG-CD1 4.47Å; I66-L139 HydrophobicContact CD1-CD1 4.47Å; V135-L139 HydrophobicContact CG1-CD1 4.07Å; V135-L139 HydrophobicContact CG1-CG 4.23Å; V135-L139 WeakPolarHBondContact O-CB 3.16Å; V135-L139 VanDerWaalsContact O-CG 3.3Å; V135-L139 WeakPolarHBondContact O-CG 3.05Å; V135-L139 PolarHBondContact O-N 3.46Å; F136-L139 PolarHBondContact O-N 3.09Å; L139-V143 HydrophobicContact CD2-CB 4.31Å; L139-V143 HydrophobicContact CD2-CG1 4.44Å; L139-V143 HydrophobicContact CD2-CG2 4.26Å; L139-V143 CarbonylContact O-C 3.57Å; L139-V143 WeakPolarHBondContact O-CA 3.43Å; L139-V143 WeakPolarHBondContact O-CB 3.37Å; L139-V143 PolarHBondContact O-N 3.18Å; L139-V143 VanDerWaalsContact O-N 3.11Å; L139-L144 PolarHBondContact O-N 3.41Å |
| 140 | F | 79.5 | Confident | 73 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -72 | -40.8 | 178.4 | -83 | -81.2 | 0 | 0 | 0 | 113.3 | V65 I66 S69 I84 F91 F136 L138 L144 A145 | V65-F140 HydrophobicContact CG1-CE1 4.42Å; V65-F140 HydrophobicContact CG1-CE2 3.99Å; V65-F140 HydrophobicContact CG1-CZ 3.59Å; I66-F140 HydrophobicContact CG1-CE2 4.12Å; S69-F140 WeakPolarHBondContact OG-CE1 3.4Å; S69-F140 WeakPolarHBondContact OG-CZ 3.49Å; I84-F140 HydrophobicContact CG2-CD1 3.84Å; I84-F140 HydrophobicContact CG2-CE1 4.2Å; F91-F140 HydrophobicContact CB-CB 4.01Å; F91-F140 HydrophobicContact CB-CD1 3.9Å; F91-F140 HydrophobicContact CB-CD2 4.27Å; F91-F140 HydrophobicContact CB-CE1 4.49Å; F91-F140 HydrophobicContact CB-CG 3.78Å; F91-F140 HydrophobicContact CD1-CD1 4.09Å; F91-F140 AromaticContact CD1-CE1 3.84Å; F91-F140 HydrophobicContact CD1-CE1 3.84Å; F91-F140 HydrophobicContact CD1-CZ 4.09Å; F91-F140 AromaticContact CD2-CD1 3.36Å; F91-F140 HydrophobicContact CD2-CD1 3.36Å; F91-F140 AromaticContact CD2-CE1 3.67Å; F91-F140 HydrophobicContact CD2-CE1 3.67Å; F91-F140 HydrophobicContact CD2-CG 4.14Å; F91-F140 AromaticContact CE1-CE1 3.9Å; F91-F140 HydrophobicContact CE1-CE1 3.9Å; F91-F140 HydrophobicContact CE1-CZ 4.21Å; F91-F140 AromaticContact CE2-CD1 3.83Å; F91-F140 HydrophobicContact CE2-CD1 3.83Å; F91-F140 AromaticContact CE2-CE1 3.71Å; F91-F140 HydrophobicContact CE2-CE1 3.71Å; F91-F140 AromaticContact CG-CD1 3.51Å; F91-F140 HydrophobicContact CG-CD1 3.51Å; F91-F140 HydrophobicContact CG-CD2 4.45Å; F91-F140 AromaticContact CG-CE1 3.73Å; F91-F140 HydrophobicContact CG-CE1 3.73Å; F91-F140 AromaticContact CG-CG 3.91Å; F91-F140 HydrophobicContact CG-CG 3.91Å; F91-F140 HydrophobicContact CG-CZ 4.33Å; F91-F140 HydrophobicContact CZ-CD1 4.38Å; F91-F140 AromaticContact CZ-CE1 3.82Å; F91-F140 HydrophobicContact CZ-CE1 3.82Å; F136-F140 HydrophobicContact CD1-CD2 4.16Å; F136-F140 HydrophobicContact CD2-CD2 4.25Å; F136-F140 AromaticContact CD2-CE2 3.95Å; F136-F140 HydrophobicContact CD2-CE2 3.95Å; F136-F140 AromaticContact CE1-CD2 3.87Å; F136-F140 HydrophobicContact CE1-CD2 3.87Å; F136-F140 HydrophobicContact CE1-CE2 4.08Å; F136-F140 AromaticContact CE2-CD2 3.98Å; F136-F140 HydrophobicContact CE2-CD2 3.98Å; F136-F140 AromaticContact CE2-CE2 3.41Å; F136-F140 HydrophobicContact CE2-CE2 3.41Å; F136-F140 VanDerWaalsContact CE2-CE2 3.41Å; F136-F140 HydrophobicContact CE2-CZ 4.37Å; F136-F140 HydrophobicContact CG-CD2 4.33Å; F136-F140 HydrophobicContact CG-CE2 4.48Å; F136-F140 AromaticContact CZ-CD2 3.77Å; F136-F140 HydrophobicContact CZ-CD2 3.77Å; F136-F140 AromaticContact CZ-CE2 3.48Å; F136-F140 HydrophobicContact CZ-CE2 3.48Å; F136-F140 VanDerWaalsContact CZ-CE2 3.48Å; F136-F140 HydrophobicContact CZ-CZ 4.34Å; F136-F140 WeakPolarHBondContact O-CD2 3.4Å; F136-F140 PolarHBondContact O-N 2.88Å; F136-F140 VanDerWaalsContact O-N 3.11Å; L138-F140 VanDerWaalsContact C-N 3.32Å; L138-F140 PolarHBondContact O-N 3.22Å; F140-L144 HydrophobicContact CD1-CD1 3.91Å; F140-L144 HydrophobicContact CD2-CD1 4.3Å; F140-L144 HydrophobicContact CE1-CD1 3.74Å; F140-L144 HydrophobicContact CE2-CD1 4.1Å; F140-L144 HydrophobicContact CG-CD1 4.19Å; F140-L144 HydrophobicContact CZ-CD1 3.82Å; F140-A145 WeakPolarHBondContact O-CB 3.36Å; F140-A145 PolarHBondContact O-N 3.46Å |
| 141 | S | 69.1 | Low | 70.4 | Confident | 44 Ų | 44 | 57.8 Ų | 57.8 | 31% | 0.308 | 28% | 0.281 | S | S | . | . | I | π-helix | trans | -77.4 | -32.4 | -175.9 | 59.1 | 0 | 0 | 0 | 0 | 114.4 | A137 L138 | A137-S141 VanDerWaalsContact O-CB 3.26Å; A137-S141 WeakPolarHBondContact O-CB 3.25Å; A137-S141 PolarHBondContact O-N 3.44Å; A137-S141 PolarHBondContact O-OG 2.87Å; L138-S141 WeakPolarHBondContact CA-OG 3.33Å; L138-S141 PolarHBondContact O-N 2.93Å; L138-S141 PolarHBondContact O-OG 3.33Å |
| 142 | T | 68.3 | Low | 67.6 | Low | 59 Ų | 59 | 64.1 Ų | 64.1 | 36% | 0.362 | 30% | 0.302 | S | S | . | . | I | π-helix | trans | -112.4 | -35.8 | -172.2 | 65 | 0 | 0 | 0 | 0 | 113.9 | L138 R146 | L138-T142 HydrophobicContact CD2-CG2 4.45Å; L138-T142 WeakPolarHBondContact O-CB 3.19Å; L138-T142 PolarHBondContact O-N 3.35Å; L138-T142 PolarHBondContact O-OG1 2.89Å; T142-R146 WeakPolarHBondContact O-CB 3.43Å; T142-R146 WeakPolarHBondContact O-CD 3.42Å; T142-R146 WeakPolarHBondContact O-CG 3.5Å |
| 143 | V | 66.4 | Low | 65 | Low | 36 Ų | 36 | 73.7 Ų | 73.7 | 22% | 0.218 | 34% | 0.343 | C | S | . | . | I | π-helix | trans | -100.3 | -59.9 | -168.5 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | L9 L139 L147 | L9-V143 HydrophobicContact CD1-CG1 3.16Å; L9-V143 HydrophobicContact CG-CG1 4.09Å; L139-V143 HydrophobicContact CD2-CB 4.31Å; L139-V143 HydrophobicContact CD2-CG1 4.44Å; L139-V143 HydrophobicContact CD2-CG2 4.26Å; L139-V143 CarbonylContact O-C 3.57Å; L139-V143 WeakPolarHBondContact O-CA 3.43Å; L139-V143 WeakPolarHBondContact O-CB 3.37Å; L139-V143 PolarHBondContact O-N 3.18Å; L139-V143 VanDerWaalsContact O-N 3.11Å; V143-L147 WeakPolarHBondContact O-CD1 3.44Å; V143-L147 PolarHBondContact O-N 2.91Å |
| 144 | L | 65.9 | Low | 62.1 | Low | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 38% | 0.377 | C | S | . | . | I | π-helix | trans | -74.8 | -40.2 | -175.6 | -65.8 | 166.8 | 0 | 0 | 0 | 112.5 | L9 I73 I84 L139 F140 R146 | L9-L144 HydrophobicContact CD2-CD2 4.07Å; I73-L144 HydrophobicContact CD1-CB 4.41Å; I73-L144 HydrophobicContact CD1-CD2 3.44Å; I73-L144 VanDerWaalsContact CD1-CD2 3.44Å; I84-L144 HydrophobicContact CG2-CB 4.14Å; L139-L144 PolarHBondContact O-N 3.41Å; F140-L144 HydrophobicContact CD1-CD1 3.91Å; F140-L144 HydrophobicContact CD2-CD1 4.3Å; F140-L144 HydrophobicContact CE1-CD1 3.74Å; F140-L144 HydrophobicContact CE2-CD1 4.1Å; F140-L144 HydrophobicContact CG-CD1 4.19Å; F140-L144 HydrophobicContact CZ-CD1 3.82Å; L144-R146 PolarHBondContact O-N 3.35Å |
| 145 | A | 62.3 | Low | 59.5 | Low | 12 Ų | 12 | 84.5 Ų | 84.5 | 10% | 0.099 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -15.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R85 F140 | R85-A145 HydrophobicContact CB-CB 4.31Å; F140-A145 WeakPolarHBondContact O-CB 3.36Å; F140-A145 PolarHBondContact O-N 3.46Å |
| 146 | R | 61.7 | Low | 56.8 | Low | 147 Ų | 147 | 88.4 Ų | 88.4 | 56% | 0.555 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | 11 | -178.6 | -59.1 | -173.6 | -179.8 | -175 | -4.9 | 113.4 | M1 T142 L144 | M1-R146 VanDerWaalsContact SD-O 3.33Å; T142-R146 WeakPolarHBondContact O-CB 3.43Å; T142-R146 WeakPolarHBondContact O-CD 3.42Å; T142-R146 WeakPolarHBondContact O-CG 3.5Å; L144-R146 PolarHBondContact O-N 3.35Å |
| 147 | L | 58.7 | Low | 54.1 | Low | 18 Ų | 18 | 96.4 Ų | 96.4 | 9% | 0.094 | 47% | 0.466 | C | S | . | . | trans | -80.4 | 127.9 | -177 | -138.1 | 110.5 | 0 | 0 | 0 | 111.4 | L6 L9 I73 S81 V143 V149 | L6-L147 HydrophobicContact CD1-CD2 3.74Å; L9-L147 HydrophobicContact CD1-CD1 3.28Å; L9-L147 HydrophobicContact CD2-CD1 3.4Å; L9-L147 VanDerWaalsContact CD2-CD1 3.4Å; L9-L147 HydrophobicContact CD2-CD2 4.26Å; L9-L147 HydrophobicContact CD2-CG 4.48Å; L9-L147 HydrophobicContact CG-CD1 3.89Å; I73-L147 HydrophobicContact CG2-CD2 4.31Å; S81-L147 WeakPolarHBondContact CB-O 3.43Å; S81-L147 PolarHBondContact OG-O 2.78Å; V143-L147 WeakPolarHBondContact O-CD1 3.44Å; V143-L147 PolarHBondContact O-N 2.91Å; L147-V149 HydrophobicContact CD2-CG2 3.81Å | ||
| 148 | V | 49.4 | Very low | 51.4 | Low | 75 Ų | 75 | 107.4 Ų | 107.4 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | trans | -122.1 | 118.7 | 167.8 | 177.5 | 0 | 0 | 0 | 0 | 108.4 | M1 | M1-V148 HydrophobicContact CE-CG2 3.73Å; M1-V148 HydrophobicContact SD-CB 4.12Å; M1-V148 HydrophobicContact SD-CG2 3.69Å | ||
| 149 | V | 48.6 | Very low | 49.1 | Very low | 39 Ų | 39 | 108.8 Ų | 108.8 | 24% | 0.236 | 52% | 0.519 | C | S | . | . | trans | -92.9 | 104.4 | 177.4 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | L6 P77 L147 R151 | L6-V149 HydrophobicContact CD1-CG2 3.79Å; L6-V149 HydrophobicContact CD2-CG1 4.38Å; L6-V149 HydrophobicContact CD2-CG2 4.37Å; P77-V149 HydrophobicContact CB-CB 3.66Å; P77-V149 HydrophobicContact CB-CG1 3.9Å; P77-V149 HydrophobicContact CB-CG2 3.98Å; L147-V149 HydrophobicContact CD2-CG2 3.81Å; V149-R151 PolarHBondContact O-N 2.78Å | ||
| 150 | K | 40.7 | Very low | 46.4 | Very low | 195 Ų | 195 | 118.9 Ų | 118.9 | 85% | 0.848 | 56% | 0.555 | S | S | * | * | trans | -72 | 116.2 | 170.8 | -133.9 | 174.2 | -171.3 | 172.5 | 0 | 109 | R152 | K150-R152 PolarHBondContact O-N 3.36Š| ||
| 151 | R | 32.6 | Very low | 44 | Very low | 221 Ų | 221 | 123.5 Ų | 123.5 | 83% | 0.834 | 59% | 0.594 | S | S | * | * | trans | -60.5 | 135 | 168.5 | -107.5 | -176.5 | 179.3 | 177.6 | 0.9 | 108.6 | V149 K153 | V149-R151 PolarHBondContact O-N 2.78Å; R151-K153 PolarHBondContact O-N 3.35Å | ||
| 152 | R | 31 | Very low | 42.1 | Very low | 244 Ų | 244 | 127.3 Ų | 127.3 | 92% | 0.921 | 62% | 0.615 | S | S | * | * | trans | -53.2 | 105.2 | 159.8 | -102.3 | -178 | 175.3 | 170.6 | -0.5 | 106.3 | K150 S154 | K150-R152 PolarHBondContact O-N 3.36Å; R152-S154 PolarHBondContact O-N 2.95Å | ||
| 153 | K | 32.8 | Very low | 40.1 | Very low | 202 Ų | 202 | 131.2 Ų | 131.2 | 88% | 0.878 | 64% | 0.639 | S | S | * | * | trans | -58.9 | 123.4 | 158 | -81.8 | -171.2 | 176.3 | -176.2 | 0 | 105.4 | R151 K155 | R151-K153 PolarHBondContact O-N 3.35Å; K153-K155 PolarHBondContact O-N 3.36Å | ||
| 154 | S | 28.9 | Very low | 38.3 | Very low | 100 Ų | 100 | 136 Ų | 136 | 70% | 0.699 | 67% | 0.668 | S | S | * | * | trans | -44.1 | 136.3 | 174.6 | 176.3 | 0 | 0 | 0 | 0 | 109.4 | R152 T156 | R152-S154 PolarHBondContact O-N 2.95Å; S154-T156 VanDerWaalsContact C-N 3.27Å; S154-T156 PolarHBondContact O-N 2.86Å | ||
| 155 | K | 32 | Very low | 36.5 | Very low | 210 Ų | 210 | 141.1 Ų | 141.1 | 91% | 0.913 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -57.6 | 86.7 | 176.5 | -76.8 | 179 | 172.7 | -179.3 | 0 | 109.9 | K153 | K153-K155 PolarHBondContact O-N 3.36Š|
| 156 | T | 30 | Very low | 34.8 | Very low | 113 Ų | 113 | 149.8 Ų | 149.8 | 69% | 0.693 | 74% | 0.743 | S | S | * | * | trans | -150 | 144.8 | 156.3 | 45.4 | 0 | 0 | 0 | 0 | 107.6 | S154 | S154-T156 VanDerWaalsContact C-N 3.27Å; S154-T156 PolarHBondContact O-N 2.86Å | ||
| 157 | L | 30.9 | Very low | 33.2 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 89% | 0.885 | 75% | 0.749 | S | S | * | * | trans | 77 | 99.5 | -168.9 | -64.1 | 112 | 0 | 0 | 0 | 116.5 | ||||
| 158 | R | 27.5 | Very low | 31.9 | Very low | 244 Ų | 244 | 151.8 Ų | 151.8 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 128.8 | 163.9 | -68.9 | 175.5 | 175.3 | -172.1 | -1.8 | 109.2 | R160 | R158-R160 PolarHBondContact O-N 3.1Š|
| 159 | P | 32.5 | Very low | 31.2 | Very low | 128 Ų | 128 | 155 Ų | 155 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 120.3 | 172.3 | 30.6 | -30.3 | 0 | 0 | 0 | 109.1 | A161 | P159-A161 PolarHBondContact O-N 3.08Š|
| 160 | R | 26.5 | Very low | 30.4 | Very low | 238 Ų | 238 | 157 Ų | 157 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 118 | 167.1 | -165.2 | 174 | -175.8 | 173.4 | -0.1 | 107 | R158 T162 | R158-R160 PolarHBondContact O-N 3.1Å; R160-T162 PolarHBondContact O-N 3.43Å; R160-T162 VanDerWaalsContact O-N 3.11Å |
| 161 | A | 27.9 | Very low | 30.4 | Very low | 99 Ų | 99 | 154 Ų | 154 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -60.1 | 112.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | P159 | P159-A161 PolarHBondContact O-N 3.08Š| ||
| 162 | T | 29.2 | Very low | 30.6 | Very low | 124 Ų | 124 | 148.4 Ų | 148.4 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | trans | -100.1 | 115.7 | 161.1 | 27.5 | 0 | 0 | 0 | 0 | 107.2 | R160 V164 | R160-T162 PolarHBondContact O-N 3.43Å; R160-T162 VanDerWaalsContact O-N 3.11Å; T162-V164 PolarHBondContact O-N 2.91Å; T162-V164 VanDerWaalsContact O-N 3.09Å | ||
| 163 | T | 25.8 | Very low | 30.9 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 87% | 0.871 | 77% | 0.767 | S | S | * | * | trans | -62.6 | 101 | 171.5 | 39.3 | 0 | 0 | 0 | 0 | 109 | S165 | T163-S165 PolarHBondContact O-N 3.39Š| ||
| 164 | V | 30.3 | Very low | 31.1 | Very low | 135 Ų | 135 | 134 Ų | 134 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -77.6 | 107.3 | 169.7 | 177.8 | 0 | 0 | 0 | 0 | 107.4 | T162 | T162-V164 PolarHBondContact O-N 2.91Å; T162-V164 VanDerWaalsContact O-N 3.09Å | ||
| 165 | S | 27.1 | Very low | 31.5 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | -62 | 135.8 | 168.8 | -172.8 | 0 | 0 | 0 | 0 | 109.6 | T163 A167 | T163-S165 PolarHBondContact O-N 3.39Å; S165-A167 PolarHBondContact O-N 3.46Å | ||
| 166 | Q | 26.3 | Very low | 31.6 | Very low | 195 Ų | 195 | 129 Ų | 129 | 91% | 0.911 | 73% | 0.73 | S | S | * | * | trans | -68.2 | 89 | -178.6 | -68.7 | 174.4 | -15.7 | 0 | 0 | 110.3 | ||||
| 167 | A | 28.9 | Very low | 31.7 | Very low | 83 Ų | 83 | 127 Ų | 127 | 69% | 0.686 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 143.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | S165 | S165-A167 PolarHBondContact O-N 3.46Š|
| 168 | P | 31.7 | Very low | 31.7 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 80% | 0.799 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 141.7 | -179.1 | -15.4 | 29 | 0 | 0 | 0 | 112 | ||
| 169 | L | 34.8 | Very low | 31.9 | Very low | 142 Ų | 142 | 123.6 Ų | 123.6 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 131.1 | 178.4 | -104.7 | 89.1 | 0 | 0 | 0 | 111.4 | ||
| 170 | P | 31.5 | Very low | 31.6 | Very low | 81 Ų | 81 | 121.3 Ų | 121.3 | 53% | 0.526 | 71% | 0.709 | S | S | . | * | P | Polyproline II helix | trans | -67.7 | 144 | 171 | 25.2 | -30.7 | 0 | 0 | 0 | 111.8 | D172 | P170-D172 VanDerWaalsContact C-N 3.34Å; P170-D172 PolarHBondContact O-N 2.66Å |
| 171 | T | 40.2 | Very low | 31.7 | Very low | 132 Ų | 132 | 119.8 Ų | 119.8 | 81% | 0.81 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -72.4 | -19.5 | -173.7 | 31.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 172 | D | 36.6 | Very low | 31.6 | Very low | 104 Ų | 104 | 118.9 Ų | 118.9 | 56% | 0.556 | 71% | 0.709 | S | S | * | * | trans | -115.8 | 112.3 | -175.2 | -100.4 | -26.7 | 0 | 0 | 0 | 113 | P170 S174 T175 | P170-D172 VanDerWaalsContact C-N 3.34Å; P170-D172 PolarHBondContact O-N 2.66Å; D172-S174 PolarHBondContact O-N 2.9Å; D172-S174 VanDerWaalsContact O-N 3.12Å; D172-T175 PolarHBondContact O-N 3.45Å; D172-T175 PolarHBondContact O-OG1 3.36Å | ||
| 173 | L | 38 | Very low | 31.7 | Very low | 62 Ų | 62 | 118.3 Ų | 118.3 | 33% | 0.325 | 71% | 0.71 | S | S | . | * | G | 310 helix | trans | -59.1 | -22.7 | 177.3 | -143.8 | 91.7 | 0 | 0 | 0 | 112.6 | T175 L176 L199 Y203 | L173-T175 PolarHBondContact O-N 3.14Å; L173-L176 PolarHBondContact O-N 3.01Å; L173-L199 HydrophobicContact CD1-CD2 3.91Å; L173-L199 HydrophobicContact CD2-CD2 4.25Å; L173-L199 HydrophobicContact CG-CD2 3.91Å; L173-Y203 HydrophobicContact CD1-CD1 4.27Å; L173-Y203 HydrophobicContact CD1-CD2 4.26Å; L173-Y203 HydrophobicContact CD1-CG 4.07Å |
| 174 | S | 36.6 | Very low | 31.8 | Very low | 81 Ų | 81 | 118.6 Ų | 118.6 | 57% | 0.566 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -64.5 | -25.6 | 179.9 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | D172 L176 V177 | D172-S174 PolarHBondContact O-N 2.9Å; D172-S174 VanDerWaalsContact O-N 3.12Å; S174-L176 VanDerWaalsContact C-N 3.34Å; S174-V177 PolarHBondContact O-N 3.43Å |
| 175 | T | 36.5 | Very low | 31.8 | Very low | 92 Ų | 92 | 120.5 Ų | 120.5 | 56% | 0.564 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -74.4 | -25 | 179.6 | 59.3 | 0 | 0 | 0 | 0 | 113.1 | D172 L173 | D172-T175 PolarHBondContact O-N 3.45Å; D172-T175 PolarHBondContact O-OG1 3.36Å; L173-T175 PolarHBondContact O-N 3.14Å |
| 176 | L | 34 | Very low | 31.8 | Very low | 115 Ų | 115 | 125 Ų | 125 | 60% | 0.602 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -13.7 | 177.5 | -71.7 | 166.2 | 0 | 0 | 0 | 113 | L173 S174 L199 | L173-L176 PolarHBondContact O-N 3.01Å; S174-L176 VanDerWaalsContact C-N 3.34Å; L176-L199 HydrophobicContact CD1-CD2 4.22Å |
| 177 | V | 33.1 | Very low | 31.9 | Very low | 69 Ų | 69 | 120.9 Ų | 120.9 | 42% | 0.418 | 71% | 0.709 | S | S | . | * | trans | -105.5 | 71.3 | 179.4 | -171.6 | 0 | 0 | 0 | 0 | 108.8 | S174 | S174-V177 PolarHBondContact O-N 3.43Š| ||
| 178 | K | 30.1 | Very low | 31.8 | Very low | 196 Ų | 196 | 126.4 Ų | 126.4 | 85% | 0.852 | 72% | 0.721 | S | S | * | * | trans | -82.9 | 112.3 | 157 | -81.8 | -171.9 | 177.5 | -179.5 | 0 | 107.5 | G180 | K178-G180 PolarHBondContact O-N 3.23Š| ||
| 179 | D | 31.8 | Very low | 31.6 | Very low | 146 Ų | 146 | 128 Ų | 128 | 78% | 0.781 | 72% | 0.717 | S | S | * | * | trans | -55.6 | 109.7 | 170.3 | -81.6 | -32.5 | 0 | 0 | 0 | 109 | K181 | D179-K181 VanDerWaalsContact C-N 3.28Å; D179-K181 PolarHBondContact O-N 3.33Å | ||
| 180 | G | 27.8 | Very low | 31.2 | Very low | 81 Ų | 81 | 127.5 Ų | 127.5 | 84% | 0.835 | 72% | 0.72 | S | S | * | * | trans | -67.5 | 83.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | K178 | K178-G180 PolarHBondContact O-N 3.23Š| ||
| 181 | K | 27.8 | Very low | 31.3 | Very low | 206 Ų | 206 | 127.5 Ų | 127.5 | 90% | 0.896 | 72% | 0.723 | S | S | * | * | trans | -133.9 | 97.8 | 160.2 | -75.3 | -171.4 | 178.9 | -180 | 0 | 108.7 | D179 | D179-K181 VanDerWaalsContact C-N 3.28Å; D179-K181 PolarHBondContact O-N 3.33Å | ||
| 182 | G | 26.6 | Very low | 31.1 | Very low | 79 Ų | 79 | 127.8 Ų | 127.8 | 81% | 0.814 | 72% | 0.718 | S | S | * | * | trans | 109.4 | 85.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 183 | S | 29.4 | Very low | 31.2 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | trans | -168.4 | 99.4 | 138.9 | 54.5 | 0 | 0 | 0 | 0 | 107.9 | E185 | S183-E185 VanDerWaalsContact C-N 3.35Å; S183-E185 PolarHBondContact O-N 3.39Å; S183-E185 VanDerWaalsContact O-N 3.12Å | ||
| 184 | T | 28.8 | Very low | 31.7 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 90% | 0.902 | 74% | 0.738 | S | S | * | * | trans | -66.9 | 93.8 | 161.7 | 33.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 185 | E | 29.9 | Very low | 32.7 | Very low | 175 Ų | 175 | 133.4 Ų | 133.4 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | -153.5 | 120.5 | 158.5 | -110.8 | 166.7 | -150.2 | 0 | 0 | 108.5 | S183 T187 | S183-E185 VanDerWaalsContact C-N 3.35Å; S183-E185 PolarHBondContact O-N 3.39Å; S183-E185 VanDerWaalsContact O-N 3.12Å; E185-T187 PolarHBondContact O-N 2.99Å | ||
| 186 | E | 27.6 | Very low | 33.7 | Very low | 203 Ų | 203 | 133.2 Ų | 133.2 | 95% | 0.949 | 74% | 0.736 | S | S | * | * | trans | -67.3 | 94 | -173.5 | -67.1 | 173.1 | 156.3 | 0 | 0 | 110.3 | ||||
| 187 | T | 27.9 | Very low | 34.8 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 66% | 0.663 | 73% | 0.727 | S | S | * | * | trans | -131.1 | 112.4 | 151.3 | 13.4 | 0 | 0 | 0 | 0 | 107.1 | E185 H189 | E185-T187 PolarHBondContact O-N 2.99Å; T187-H189 PolarHBondContact O-N 3.06Å | ||
| 188 | E | 26.2 | Very low | 35.8 | Very low | 199 Ų | 199 | 130.1 Ų | 130.1 | 93% | 0.93 | 72% | 0.72 | S | S | * | * | trans | -65.5 | 61.9 | 175.7 | -72.4 | -174.6 | 143.7 | 0 | 0 | 111.3 | T190 | E188-T190 PolarHBondContact O-N 3.03Å; E188-T190 VanDerWaalsContact O-N 3.16Å | ||
| 189 | H | 27.6 | Very low | 37.6 | Very low | 156 Ų | 156 | 123.1 Ų | 123.1 | 72% | 0.722 | 69% | 0.692 | S | S | * | * | trans | -66.6 | 111.9 | 151.7 | -77 | -69.3 | 0 | 0 | 0 | 105.6 | T187 S191 | T187-H189 PolarHBondContact O-N 3.06Å; H189-S191 PolarHBondContact O-N 3.26Å | ||
| 190 | T | 27.7 | Very low | 39.2 | Very low | 132 Ų | 132 | 120.8 Ų | 120.8 | 81% | 0.81 | 68% | 0.675 | S | S | * | * | trans | -66.5 | 76.9 | 171.4 | -33.9 | 0 | 0 | 0 | 0 | 107.2 | E188 I192 | E188-T190 PolarHBondContact O-N 3.03Å; E188-T190 VanDerWaalsContact O-N 3.16Å; T190-I192 PolarHBondContact O-N 3.27Å | ||
| 191 | S | 32.7 | Very low | 40.7 | Very low | 82 Ų | 82 | 118.1 Ų | 118.1 | 57% | 0.573 | 64% | 0.641 | S | S | * | * | trans | -66 | 104.4 | 174.9 | 55.2 | 0 | 0 | 0 | 0 | 106 | H189 H193 | H189-S191 PolarHBondContact O-N 3.26Å; S191-H193 VanDerWaalsContact C-N 3.26Å; S191-H193 PolarHBondContact O-N 3.31Å | ||
| 192 | I | 35.9 | Very low | 42.6 | Very low | 137 Ų | 137 | 110.8 Ų | 110.8 | 70% | 0.703 | 62% | 0.619 | S | S | * | * | trans | -61.6 | 98.8 | 168.7 | -57 | 172.5 | 0 | 0 | 0 | 105 | T190 L194 | T190-I192 PolarHBondContact O-N 3.27Å; I192-L194 HydrophobicContact CG2-CD1 4.04Å; I192-L194 HydrophobicContact CG2-CG 3.91Å; I192-L194 PolarHBondContact O-N 3.36Å | ||
| 193 | H | 39.7 | Very low | 44.7 | Very low | 174 Ų | 174 | 110.8 Ų | 110.8 | 81% | 0.806 | 60% | 0.595 | S | S | * | * | trans | -63.6 | 87.2 | 165.1 | -83.2 | -70.9 | 0 | 0 | 0 | 107.1 | S191 | S191-H193 VanDerWaalsContact C-N 3.26Å; S191-H193 PolarHBondContact O-N 3.31Å | ||
| 194 | L | 48.8 | Very low | 46.6 | Very low | 95 Ų | 95 | 109.9 Ų | 109.9 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | trans | -76.9 | 128.1 | 160.6 | -80.9 | 142.7 | 0 | 0 | 0 | 106.4 | I192 | I192-L194 HydrophobicContact CG2-CD1 4.04Å; I192-L194 HydrophobicContact CG2-CG 3.91Å; I192-L194 PolarHBondContact O-N 3.36Å | ||
| 195 | D | 57.8 | Low | 48.5 | Very low | 96 Ų | 96 | 106.2 Ų | 106.2 | 51% | 0.513 | 55% | 0.553 | S | S | . | * | trans | -59.4 | 136.7 | 176.5 | -86.3 | -32.2 | 0 | 0 | 0 | 109.2 | S197 E198 L199 | D195-S197 PolarHBondContact O-N 2.92Å; D195-E198 HydrophobicContact CB-CB 4.38Å; D195-E198 HydrophobicContact CB-CG 3.94Å; D195-E198 WeakPolarHBondContact O-CA 3.45Å; D195-E198 WeakPolarHBondContact O-CB 3.43Å; D195-E198 PolarHBondContact O-N 3.17Å; D195-L199 PolarHBondContact O-N 3.07Å; D195-L199 VanDerWaalsContact O-N 3.14Å | ||
| 196 | P | 56.9 | Low | 50.7 | Low | 89 Ų | 89 | 102.9 Ų | 102.9 | 58% | 0.578 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -54.5 | -30.2 | 179.2 | -27.1 | 33.6 | 0 | 0 | 0 | 113.4 | K200 | P196-K200 WeakPolarHBondContact O-CB 3.29Å; P196-K200 PolarHBondContact O-N 3.09Å |
| 197 | S | 55.8 | Low | 52.9 | Low | 59 Ų | 59 | 97.3 Ų | 97.3 | 41% | 0.413 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.5 | -38.1 | 172.8 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | D195 K200 D201 | D195-S197 PolarHBondContact O-N 2.92Å; S197-K200 PolarHBondContact O-N 2.98Å; S197-D201 WeakPolarHBondContact O-CB 3.42Å; S197-D201 VanDerWaalsContact O-CG 3.26Å; S197-D201 PolarHBondContact O-N 2.94Å |
| 198 | E | 55.3 | Low | 55.2 | Low | 59 Ų | 59 | 96.9 Ų | 96.9 | 28% | 0.276 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 176.2 | -68.5 | -178.9 | 156.9 | 0 | 0 | 110.8 | D195 D201 A202 | D195-E198 HydrophobicContact CB-CB 4.38Å; D195-E198 HydrophobicContact CB-CG 3.94Å; D195-E198 WeakPolarHBondContact O-CA 3.45Å; D195-E198 WeakPolarHBondContact O-CB 3.43Å; D195-E198 PolarHBondContact O-N 3.17Å; E198-D201 PolarHBondContact O-N 3.32Å; E198-A202 VanDerWaalsContact O-CB 3.28Å; E198-A202 WeakPolarHBondContact O-CB 3.43Å; E198-A202 PolarHBondContact O-N 3.44Å |
| 199 | L | 67.5 | Low | 57.7 | Low | 49 Ų | 49 | 94.5 Ų | 94.5 | 26% | 0.257 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 177.4 | -154.2 | 98.9 | 0 | 0 | 0 | 111.2 | L173 L176 D195 A202 Y203 | L173-L199 HydrophobicContact CD1-CD2 3.91Å; L173-L199 HydrophobicContact CD2-CD2 4.25Å; L173-L199 HydrophobicContact CG-CD2 3.91Å; L176-L199 HydrophobicContact CD1-CD2 4.22Å; D195-L199 PolarHBondContact O-N 3.07Å; D195-L199 VanDerWaalsContact O-N 3.14Å; L199-A202 PolarHBondContact O-N 2.79Å; L199-Y203 VanDerWaalsContact O-CB 3.27Å; L199-Y203 WeakPolarHBondContact O-CB 3.37Å; L199-Y203 PolarHBondContact O-N 2.89Å |
| 200 | K | 65.3 | Low | 60.4 | Low | 98 Ų | 98 | 90.6 Ų | 90.6 | 43% | 0.426 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 176.9 | -173.2 | 174.7 | 178.7 | 173.4 | 0 | 111.8 | P196 S197 Y203 E204 | P196-K200 WeakPolarHBondContact O-CB 3.29Å; P196-K200 PolarHBondContact O-N 3.09Å; S197-K200 PolarHBondContact O-N 2.98Å; K200-Y203 PolarHBondContact O-N 3.41Å; K200-E204 VanDerWaalsContact CE-OE1 3.25Å; K200-E204 WeakPolarHBondContact CE-OE1 3.41Å; K200-E204 WeakPolarHBondContact O-CG 3.4Å; K200-E204 PolarHBondContact O-N 3.17Å |
| 201 | D | 59.1 | Low | 63.3 | Low | 25 Ų | 25 | 85.9 Ų | 85.9 | 13% | 0.134 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -66.7 | -38.9 | -180 | -71.4 | -13.5 | 0 | 0 | 0 | 111.5 | M1 R85 S197 E198 E204 N205 | M1-D201 HydrophobicContact CE-CB 4.48Å; R85-D201 IonicContact NH1-OD2 3.28Å; S197-D201 WeakPolarHBondContact O-CB 3.42Å; S197-D201 VanDerWaalsContact O-CG 3.26Å; S197-D201 PolarHBondContact O-N 2.94Å; E198-D201 PolarHBondContact O-N 3.32Å; D201-E204 PolarHBondContact O-N 2.89Å; D201-N205 WeakPolarHBondContact O-CB 3.5Å; D201-N205 VanDerWaalsContact O-CG 3.31Å; D201-N205 PolarHBondContact O-N 3.17Å; D201-N205 PolarHBondContact O-ND2 3.18Å |
| 202 | A | 67.5 | Low | 65.8 | Low | 52 Ų | 52 | 85 Ų | 85 | 43% | 0.43 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E198 L199 N205 L206 | E198-A202 VanDerWaalsContact O-CB 3.28Å; E198-A202 WeakPolarHBondContact O-CB 3.43Å; E198-A202 PolarHBondContact O-N 3.44Å; L199-A202 PolarHBondContact O-N 2.79Å; A202-N205 PolarHBondContact O-N 3.27Å; A202-L206 WeakPolarHBondContact O-CG 3.45Å; A202-L206 PolarHBondContact O-N 3.29Å |
| 203 | Y | 70.6 | Confident | 68.4 | Low | 79 Ų | 79 | 82.5 Ų | 82.5 | 31% | 0.31 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 176.8 | -179.2 | -108.1 | 0 | 0 | 0 | 112.8 | L173 L199 K200 L206 K207 | L173-Y203 HydrophobicContact CD1-CD1 4.27Å; L173-Y203 HydrophobicContact CD1-CD2 4.26Å; L173-Y203 HydrophobicContact CD1-CG 4.07Å; L199-Y203 VanDerWaalsContact O-CB 3.27Å; L199-Y203 WeakPolarHBondContact O-CB 3.37Å; L199-Y203 PolarHBondContact O-N 2.89Å; K200-Y203 PolarHBondContact O-N 3.41Å; Y203-L206 PolarHBondContact O-N 3.12Å; Y203-K207 HydrophobicContact CD1-CD 4.24Å; Y203-K207 HydrophobicContact CE1-CD 3.83Å; Y203-K207 PolarHBondContact O-N 3.35Å; Y203-K207 WeakPolarHBondContact OH-CE 3.36Å; Y203-K207 PolarHBondContact OH-NZ 3.43Å |
| 204 | E | 69.5 | Low | 71 | Confident | 93 Ų | 93 | 75 Ų | 75 | 44% | 0.435 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 174.1 | -76.7 | -179.5 | -167.6 | 0 | 0 | 112.1 | K200 D201 L206 K207 V208 | K200-E204 VanDerWaalsContact CE-OE1 3.25Å; K200-E204 WeakPolarHBondContact CE-OE1 3.41Å; K200-E204 WeakPolarHBondContact O-CG 3.4Å; K200-E204 PolarHBondContact O-N 3.17Å; D201-E204 PolarHBondContact O-N 2.89Å; E204-L206 PolarHBondContact O-N 2.88Å; E204-K207 WeakPolarHBondContact O-CB 3.44Å; E204-K207 PolarHBondContact O-N 3.07Å; E204-V208 WeakPolarHBondContact O-CG2 3.49Å; E204-V208 PolarHBondContact O-N 3.32Å |
| 205 | N | 70.3 | Confident | 73 | Confident | 70 Ų | 70 | 72.6 Ų | 72.6 | 37% | 0.374 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 176.6 | -74 | -54.5 | 0 | 0 | 0 | 112.1 | D201 A202 V208 K209 | D201-N205 WeakPolarHBondContact O-CB 3.5Å; D201-N205 VanDerWaalsContact O-CG 3.31Å; D201-N205 PolarHBondContact O-N 3.17Å; D201-N205 PolarHBondContact O-ND2 3.18Å; A202-N205 PolarHBondContact O-N 3.27Å; N205-V208 PolarHBondContact O-N 3.14Å; N205-K209 WeakPolarHBondContact O-CB 3.18Å; N205-K209 PolarHBondContact O-N 3.46Å |
| 206 | L | 75.5 | Confident | 74.7 | Confident | 106 Ų | 106 | 75.3 Ų | 75.3 | 56% | 0.555 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.2 | -45.6 | 173.3 | -74.7 | 168.7 | 0 | 0 | 0 | 110.8 | A202 Y203 E204 V208 K209 E210 | A202-L206 WeakPolarHBondContact O-CG 3.45Å; A202-L206 PolarHBondContact O-N 3.29Å; Y203-L206 PolarHBondContact O-N 3.12Å; E204-L206 PolarHBondContact O-N 2.88Å; L206-V208 PolarHBondContact O-N 2.94Å; L206-K209 PolarHBondContact O-N 3.42Å; L206-E210 VanDerWaalsContact O-CB 3.3Å; L206-E210 WeakPolarHBondContact O-CB 3.49Å; L206-E210 PolarHBondContact O-N 3.35Å |
| 207 | K | 74 | Confident | 76.4 | Confident | 86 Ų | 86 | 74.1 Ų | 74.1 | 37% | 0.374 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.3 | -43.7 | 175.5 | -81.5 | -176 | 167.5 | 174.9 | 0 | 113.1 | Y203 E204 S211 | Y203-K207 HydrophobicContact CD1-CD 4.24Å; Y203-K207 HydrophobicContact CE1-CD 3.83Å; Y203-K207 PolarHBondContact O-N 3.35Å; Y203-K207 WeakPolarHBondContact OH-CE 3.36Å; Y203-K207 PolarHBondContact OH-NZ 3.43Å; E204-K207 WeakPolarHBondContact O-CB 3.44Å; E204-K207 PolarHBondContact O-N 3.07Å; K207-S211 VanDerWaalsContact O-CB 3.31Å; K207-S211 WeakPolarHBondContact O-CB 3.36Å; K207-S211 PolarHBondContact O-N 2.87Å; K207-S211 PolarHBondContact O-OG 3.36Å |
| 208 | V | 76.2 | Confident | 78.2 | Confident | 99 Ų | 99 | 71.4 Ų | 71.4 | 60% | 0.6 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.1 | -45 | 178.4 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | E204 N205 L206 S211 S212 | E204-V208 WeakPolarHBondContact O-CG2 3.49Å; E204-V208 PolarHBondContact O-N 3.32Å; N205-V208 PolarHBondContact O-N 3.14Å; L206-V208 PolarHBondContact O-N 2.94Å; V208-S211 PolarHBondContact O-N 2.86Å; V208-S212 PolarHBondContact O-N 3.1Å |
| 209 | K | 77.9 | Confident | 79.9 | Confident | 148 Ų | 148 | 71.6 Ų | 71.6 | 64% | 0.643 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.3 | -48.5 | 177.9 | -170.6 | 177.1 | -178.6 | -177.6 | 0 | 110.9 | N205 L206 S211 S212 T213 | N205-K209 WeakPolarHBondContact O-CB 3.18Å; N205-K209 PolarHBondContact O-N 3.46Å; L206-K209 PolarHBondContact O-N 3.42Å; K209-S211 PolarHBondContact O-N 3.11Å; K209-S212 PolarHBondContact O-N 3.31Å; K209-S212 PolarHBondContact O-OG 2.82Å; K209-T213 PolarHBondContact O-N 3.33Å; K209-T213 PolarHBondContact O-OG1 3.22Å; K209-T213 VanDerWaalsContact O-OG1 3.05Å |
| 210 | E | 84.9 | Confident | 81.1 | Confident | 75 Ų | 75 | 77.6 Ų | 77.6 | 35% | 0.35 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.4 | -47.4 | 176.2 | -169.4 | -164 | 175.4 | 0 | 0 | 111.5 | L206 S212 T213 L214 R531 | L206-E210 VanDerWaalsContact O-CB 3.3Å; L206-E210 WeakPolarHBondContact O-CB 3.49Å; L206-E210 PolarHBondContact O-N 3.35Å; E210-S212 VanDerWaalsContact C-N 3.29Å; E210-S212 PolarHBondContact O-N 3.25Å; E210-T213 PolarHBondContact O-N 3.19Å; E210-T213 VanDerWaalsContact O-N 3.1Å; E210-L214 HydrophobicContact CG-CD1 4.06Å; E210-L214 HydrophobicContact CG-CG 4.47Å; E210-L214 VanDerWaalsContact O-CG 3.28Å; E210-L214 WeakPolarHBondContact O-CG 3.38Å; E210-L214 PolarHBondContact O-N 2.96Å; E210-R531 VanDerWaalsContact CD-NH2 3.35Å; E210-R531 IonicContact OE1-CZ 2.88Å; E210-R531 IonicContact OE1-NE 2.77Å; E210-R531 PolarHBondContact OE1-NE 3.49Å; E210-R531 IonicContact OE1-NH2 3.46Å; E210-R531 IonicContact OE2-CZ 3.46Å; E210-R531 IonicContact OE2-NE 3.9Å; E210-R531 PolarHBondContact OE2-NE 3.5Å; E210-R531 IonicContact OE2-NH2 3.22Å; E210-R531 PolarHBondContact OE2-NH2 2.89Å |
| 211 | S | 87.8 | Confident | 82.4 | Confident | 32 Ų | 32 | 73.7 Ų | 73.7 | 22% | 0.224 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57 | -43 | 176.8 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | K207 V208 K209 L214 I215 | K207-S211 VanDerWaalsContact O-CB 3.31Å; K207-S211 WeakPolarHBondContact O-CB 3.36Å; K207-S211 PolarHBondContact O-N 2.87Å; K207-S211 PolarHBondContact O-OG 3.36Å; V208-S211 PolarHBondContact O-N 2.86Å; K209-S211 PolarHBondContact O-N 3.11Å; S211-L214 PolarHBondContact O-N 2.84Å; S211-I215 VanDerWaalsContact O-CG1 3.25Å; S211-I215 WeakPolarHBondContact O-CG1 3.49Å; S211-I215 PolarHBondContact O-N 3.43Å |
| 212 | S | 86.1 | Confident | 83.9 | Confident | 64 Ų | 64 | 72.9 Ų | 72.9 | 45% | 0.448 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65 | -39.6 | 177.3 | 75.8 | 0 | 0 | 0 | 0 | 112.5 | V208 K209 E210 I215 F216 | V208-S212 PolarHBondContact O-N 3.1Å; K209-S212 PolarHBondContact O-N 3.31Å; K209-S212 PolarHBondContact O-OG 2.82Å; E210-S212 VanDerWaalsContact C-N 3.29Å; E210-S212 PolarHBondContact O-N 3.25Å; S212-I215 PolarHBondContact O-N 2.96Å; S212-F216 WeakPolarHBondContact O-CB 3.46Å; S212-F216 PolarHBondContact O-N 2.81Å |
| 213 | T | 91.1 | Very high | 84.9 | Confident | 84 Ų | 84 | 73.8 Ų | 73.8 | 52% | 0.515 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 176.8 | -55 | 0 | 0 | 0 | 0 | 111.2 | K209 E210 F216 R217 | K209-T213 PolarHBondContact O-N 3.33Å; K209-T213 PolarHBondContact O-OG1 3.22Å; K209-T213 VanDerWaalsContact O-OG1 3.05Å; E210-T213 PolarHBondContact O-N 3.19Å; E210-T213 VanDerWaalsContact O-N 3.1Å; T213-F216 PolarHBondContact O-N 3.06Å; T213-R217 WeakPolarHBondContact O-CB 3.35Å; T213-R217 PolarHBondContact O-N 3.42Å |
| 214 | L | 92.7 | Very high | 85.9 | Confident | 16 Ų | 16 | 75.3 Ų | 75.3 | 8% | 0.084 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 176.3 | -67.3 | 168.9 | 0 | 0 | 0 | 111.5 | E210 S211 R217 M218 V527 R531 F534 | E210-L214 HydrophobicContact CG-CD1 4.06Å; E210-L214 HydrophobicContact CG-CG 4.47Å; E210-L214 VanDerWaalsContact O-CG 3.28Å; E210-L214 WeakPolarHBondContact O-CG 3.38Å; E210-L214 PolarHBondContact O-N 2.96Å; S211-L214 PolarHBondContact O-N 2.84Å; L214-R217 PolarHBondContact O-N 2.94Å; L214-M218 WeakPolarHBondContact O-CG 3.44Å; L214-M218 PolarHBondContact O-N 3.06Å; L214-V527 HydrophobicContact CD1-CG1 3.89Å; L214-R531 HydrophobicContact CD1-CB 3.99Å; L214-F534 HydrophobicContact CD2-CB 4.37Å; L214-F534 HydrophobicContact CD2-CD2 3.57Å; L214-F534 HydrophobicContact CD2-CE2 4.35Å; L214-F534 HydrophobicContact CD2-CG 4.42Å |
| 215 | I | 91.7 | Very high | 86.9 | Confident | 46 Ų | 46 | 72.7 Ų | 72.7 | 24% | 0.236 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 174.6 | -68 | 164.4 | 0 | 0 | 0 | 110.7 | S211 S212 R217 M218 L219 V527 | S211-I215 VanDerWaalsContact O-CG1 3.25Å; S211-I215 WeakPolarHBondContact O-CG1 3.49Å; S211-I215 PolarHBondContact O-N 3.43Å; S212-I215 PolarHBondContact O-N 2.96Å; I215-R217 VanDerWaalsContact C-N 3.25Å; I215-R217 PolarHBondContact O-N 3.49Å; I215-M218 HydrophobicContact CB-CE 4.43Å; I215-M218 HydrophobicContact CG1-CE 4.03Å; I215-M218 PolarHBondContact O-N 3.36Å; I215-L219 HydrophobicContact CG2-CD1 4.01Å; I215-L219 HydrophobicContact CG2-CG 4.43Å; I215-L219 WeakPolarHBondContact O-CG 3.49Å; I215-L219 PolarHBondContact O-N 3.32Å; I215-V527 HydrophobicContact CD1-CG2 3.97Å; I215-V527 HydrophobicContact CG1-CG2 3.73Å |
| 216 | F | 92.4 | Very high | 87.9 | Confident | 152 Ų | 152 | 77 Ų | 77 | 67% | 0.667 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.5 | -36.8 | 178.3 | -170.6 | -99.5 | 0 | 0 | 0 | 112 | S212 T213 L219 R220 | S212-F216 WeakPolarHBondContact O-CB 3.46Å; S212-F216 PolarHBondContact O-N 2.81Å; T213-F216 PolarHBondContact O-N 3.06Å; F216-L219 PolarHBondContact O-N 2.9Å; F216-R220 PolarHBondContact O-N 2.99Å |
| 217 | R | 93.6 | Very high | 88.8 | Confident | 64 Ų | 64 | 76 Ų | 76 | 24% | 0.242 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68 | -41.4 | 176 | -167.9 | 176.4 | 177.1 | 171.2 | -1.2 | 112.5 | T213 L214 I215 L219 R220 Y221 F534 D538 | T213-R217 WeakPolarHBondContact O-CB 3.35Å; T213-R217 PolarHBondContact O-N 3.42Å; L214-R217 PolarHBondContact O-N 2.94Å; I215-R217 VanDerWaalsContact C-N 3.25Å; I215-R217 PolarHBondContact O-N 3.49Å; R217-L219 VanDerWaalsContact C-N 3.33Å; R217-R220 WeakPolarHBondContact O-CB 3.47Å; R217-R220 PolarHBondContact O-N 3.22Å; R217-Y221 WeakPolarHBondContact O-CD2 3.45Å; R217-Y221 PolarHBondContact O-N 2.81Å; R217-F534 HydrophobicContact CB-CE2 4Å; R217-F534 HydrophobicContact CB-CZ 4.06Å; R217-F534 VanDerWaalsContact CD-CZ 3.48Å; R217-F534 HydrophobicContact CG-CE1 3.96Å; R217-F534 HydrophobicContact CG-CE2 3.87Å; R217-F534 HydrophobicContact CG-CZ 3.5Å; R217-F534 VanDerWaalsContact CG-CZ 3.5Å; R217-F534 VanDerWaalsContact NE-CD1 3.3Å; R217-D538 IonicContact CZ-OD1 3.4Å; R217-D538 VanDerWaalsContact CZ-OD1 3.24Å; R217-D538 IonicContact CZ-OD2 3.43Å; R217-D538 IonicContact NH1-OD1 2.75Å; R217-D538 PolarHBondContact NH1-OD1 3.03Å; R217-D538 IonicContact NH1-OD2 3.03Å; R217-D538 PolarHBondContact NH1-OD2 3.31Å; R217-D538 IonicContact NH2-OD1 3.33Å; R217-D538 PolarHBondContact NH2-OD1 3.04Å; R217-D538 IonicContact NH2-OD2 3.68Å |
| 218 | M | 93.2 | Very high | 89.7 | Confident | 3 Ų | 3 | 75.7 Ų | 75.7 | 2% | 0.015 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 171.8 | -71.2 | -174.2 | -72.2 | 0 | 0 | 111.2 | L214 I215 R220 Y221 C222 M337 I341 A526 F534 | L214-M218 WeakPolarHBondContact O-CG 3.44Å; L214-M218 PolarHBondContact O-N 3.06Å; I215-M218 HydrophobicContact CB-CE 4.43Å; I215-M218 HydrophobicContact CG1-CE 4.03Å; I215-M218 PolarHBondContact O-N 3.36Å; M218-R220 PolarHBondContact O-N 2.97Å; M218-Y221 WeakPolarHBondContact O-CB 3.48Å; M218-Y221 PolarHBondContact O-N 3.04Å; M218-C222 PolarHBondContact O-N 3.04Å; M218-C222 VanDerWaalsContact O-N 3.12Å; M218-M337 HydrophobicContact CG-CE 3.56Å; M218-M337 HydrophobicContact CG-CG 4.21Å; M218-M337 HydrophobicContact SD-CE 4.31Å; M218-M337 HydrophobicContact SD-CG 3.74Å; M218-I341 HydrophobicContact CB-CB 4.41Å; M218-I341 HydrophobicContact CB-CD1 4.42Å; M218-I341 HydrophobicContact CB-CG1 3.96Å; M218-I341 HydrophobicContact CB-CG2 4.47Å; M218-I341 HydrophobicContact CE-CD1 4.26Å; M218-I341 HydrophobicContact SD-CB 4.15Å; M218-I341 HydrophobicContact SD-CG1 4.5Å; M218-A526 HydrophobicContact CE-CB 4.1Å; M218-A526 HydrophobicContact SD-CB 4.26Å; M218-F534 HydrophobicContact CG-CE2 4.13Å; M218-F534 HydrophobicContact CG-CZ 4.47Å |
| 219 | L | 91.6 | Very high | 90.5 | Very high | 62 Ų | 62 | 72.4 Ų | 72.4 | 33% | 0.325 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.4 | -33.4 | 175.1 | -72.1 | 171.8 | 0 | 0 | 0 | 112.5 | I215 F216 R217 Y221 C222 S223 L345 | I215-L219 HydrophobicContact CG2-CD1 4.01Å; I215-L219 HydrophobicContact CG2-CG 4.43Å; I215-L219 WeakPolarHBondContact O-CG 3.49Å; I215-L219 PolarHBondContact O-N 3.32Å; F216-L219 PolarHBondContact O-N 2.9Å; R217-L219 VanDerWaalsContact C-N 3.33Å; L219-Y221 VanDerWaalsContact C-N 3.3Å; L219-Y221 PolarHBondContact O-N 3.09Å; L219-C222 CarbonylContact O-C 2.89Å; L219-C222 WeakPolarHBondContact O-CB 3.14Å; L219-C222 PolarHBondContact O-N 3.36Å; L219-S223 PolarHBondContact O-N 3.12Å; L219-L345 HydrophobicContact CD2-CD1 3.51Å; L219-L345 HydrophobicContact CD2-CD2 3.95Å; L219-L345 HydrophobicContact CD2-CG 4.32Å |
| 220 | R | 92.5 | Very high | 91.2 | Very high | 175 Ų | 175 | 68.3 Ų | 68.3 | 66% | 0.66 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.9 | -30.7 | 174 | -168.5 | 179.8 | -179.8 | -174.4 | 0.4 | 112.8 | F216 R217 M218 S223 | F216-R220 PolarHBondContact O-N 2.99Å; R217-R220 WeakPolarHBondContact O-CB 3.47Å; R217-R220 PolarHBondContact O-N 3.22Å; M218-R220 PolarHBondContact O-N 2.97Å; R220-S223 WeakPolarHBondContact CA-OG 3.45Å; R220-S223 PolarHBondContact O-OG 3.12Å |
| 221 | Y | 91.8 | Very high | 91.7 | Very high | 17 Ų | 17 | 68.2 Ų | 68.2 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.6 | -44 | 169.4 | -83.5 | -90.1 | 0 | 0 | 0 | 111 | R217 M218 L219 S223 K224 L301 I302 D305 F534 | R217-Y221 WeakPolarHBondContact O-CD2 3.45Å; R217-Y221 PolarHBondContact O-N 2.81Å; M218-Y221 WeakPolarHBondContact O-CB 3.48Å; M218-Y221 PolarHBondContact O-N 3.04Å; L219-Y221 VanDerWaalsContact C-N 3.3Å; L219-Y221 PolarHBondContact O-N 3.09Å; Y221-S223 PolarHBondContact O-N 2.96Å; Y221-K224 WeakPolarHBondContact O-CB 3.23Å; Y221-K224 PolarHBondContact O-N 3.32Å; Y221-K224 VanDerWaalsContact O-N 3.1Å; Y221-L301 HydrophobicContact CD1-CB 4.37Å; Y221-I302 HydrophobicContact CD1-CD1 4.28Å; Y221-I302 HydrophobicContact CD1-CG1 3.53Å; Y221-I302 HydrophobicContact CD2-CG1 4.3Å; Y221-I302 HydrophobicContact CE1-CG1 3.67Å; Y221-I302 HydrophobicContact CE2-CG1 4.44Å; Y221-I302 HydrophobicContact CG-CD1 4.18Å; Y221-I302 HydrophobicContact CG-CG1 3.87Å; Y221-D305 WeakPolarHBondContact CE1-OD2 3.38Å; Y221-D305 VanDerWaalsContact CZ-OD2 3.3Å; Y221-D305 PolarHBondContact OH-OD2 2.93Å; Y221-F534 HydrophobicContact CD2-CE1 4.44Å; Y221-F534 HydrophobicContact CD2-CZ 4.27Å; Y221-F534 AromaticContact CE2-CE1 3.73Å; Y221-F534 HydrophobicContact CE2-CE1 3.73Å; Y221-F534 AromaticContact CE2-CZ 4Å; Y221-F534 HydrophobicContact CE2-CZ 4Å |
| 222 | C | 90.4 | Very high | 92 | Very high | 8 Ų | 8 | 66.7 Ų | 66.7 | 5% | 0.054 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.8 | -36.9 | 174.2 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | M218 L219 K224 E225 Y229 | M218-C222 PolarHBondContact O-N 3.04Å; M218-C222 VanDerWaalsContact O-N 3.12Å; L219-C222 CarbonylContact O-C 2.89Å; L219-C222 WeakPolarHBondContact O-CB 3.14Å; L219-C222 PolarHBondContact O-N 3.36Å; C222-K224 PolarHBondContact O-N 3.06Å; C222-E225 CarbonylContact O-C 3.42Å; C222-E225 PolarHBondContact O-N 2.71Å; C222-E225 VanDerWaalsContact O-N 3.13Å; C222-Y229 HydrophobicContact CB-CD2 4.2Å; C222-Y229 HydrophobicContact CB-CE1 4.38Å; C222-Y229 HydrophobicContact CB-CE2 3.71Å; C222-Y229 WeakPolarHBondContact O-CD2 3.39Å; C222-Y229 WeakPolarHBondContact O-CE2 3.43Å |
| 223 | S | 89.8 | Confident | 92.4 | Very high | 70 Ų | 70 | 67.7 Ų | 67.7 | 49% | 0.49 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.7 | -20.2 | 178.7 | 68 | 0 | 0 | 0 | 0 | 113.9 | L219 R220 Y221 E225 W226 | L219-S223 PolarHBondContact O-N 3.12Å; R220-S223 WeakPolarHBondContact CA-OG 3.45Å; R220-S223 PolarHBondContact O-OG 3.12Å; Y221-S223 PolarHBondContact O-N 2.96Å; S223-E225 VanDerWaalsContact C-N 3.26Å; S223-E225 PolarHBondContact O-N 2.8Å; S223-W226 WeakPolarHBondContact O-CB 3.12Å; S223-W226 PolarHBondContact O-N 2.94Å |
| 224 | K | 91.1 | Very high | 92.6 | Very high | 111 Ų | 111 | 67.2 Ų | 67.2 | 48% | 0.483 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.9 | -33.3 | 172.9 | -67.8 | -178.7 | 178.1 | 179 | 0 | 111.3 | Y221 C222 L301 | Y221-K224 WeakPolarHBondContact O-CB 3.23Å; Y221-K224 PolarHBondContact O-N 3.32Å; Y221-K224 VanDerWaalsContact O-N 3.1Å; C222-K224 PolarHBondContact O-N 3.06Å; K224-L301 HydrophobicContact CB-CD1 4.44Å; K224-L301 HydrophobicContact CD-CD1 4.37Å |
| 225 | E | 91.3 | Very high | 92.8 | Very high | 39 Ų | 39 | 68.8 Ų | 68.8 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 37.2 | 178.8 | -65.4 | -63.1 | 154.6 | 0 | 0 | 111.9 | C222 S223 I227 W228 Y229 K297 V298 L301 | C222-E225 CarbonylContact O-C 3.42Å; C222-E225 PolarHBondContact O-N 2.71Å; C222-E225 VanDerWaalsContact O-N 3.13Å; S223-E225 VanDerWaalsContact C-N 3.26Å; S223-E225 PolarHBondContact O-N 2.8Å; E225-I227 PolarHBondContact O-N 3.06Å; E225-W228 PolarHBondContact O-N 3.18Å; E225-W228 VanDerWaalsContact O-N 3.15Å; E225-Y229 HydrophobicContact CB-CD2 4.33Å; E225-Y229 HydrophobicContact CB-CE2 4.16Å; E225-Y229 WeakPolarHBondContact O-CD2 3.45Å; E225-K297 VanDerWaalsContact CD-CD 3.47Å; E225-K297 HydrophobicContact CG-CB 3.89Å; E225-K297 HydrophobicContact CG-CD 4.27Å; E225-K297 WeakPolarHBondContact OE2-CD 3.25Å; E225-K297 IonicContact OE2-NZ 3.99Å; E225-K297 PolarHBondContact OE2-NZ 2.92Å; E225-V298 HydrophobicContact CB-CG2 4.49Å; E225-V298 HydrophobicContact CG-CG2 4.32Å; E225-L301 HydrophobicContact CG-CD1 4.25Å |
| 226 | W | 91.1 | Very high | 93 | Very high | 159 Ų | 159 | 66.6 Ų | 66.6 | 60% | 0.602 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -53.8 | -34 | -170.4 | 71.8 | -85.1 | 0 | 0 | 0 | 114 | S223 W228 Y229 T230 | S223-W226 WeakPolarHBondContact O-CB 3.12Å; S223-W226 PolarHBondContact O-N 2.94Å; W226-W228 VanDerWaalsContact C-N 3.34Å; W226-W228 PolarHBondContact O-N 2.86Å; W226-Y229 PolarHBondContact O-N 2.93Å; W226-T230 HydrophobicContact CE3-CG2 3.77Å; W226-T230 HydrophobicContact CZ3-CG2 4.28Å; W226-T230 WeakPolarHBondContact O-CG2 3.47Å; W226-T230 PolarHBondContact O-N 3.43Å; W226-T230 PolarHBondContact O-OG1 2.99Å |
| 227 | I | 94.3 | Very high | 93.1 | Very high | 87 Ų | 87 | 63.9 Ų | 63.9 | 45% | 0.446 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.6 | -45 | -178.3 | -60.2 | 169.2 | 0 | 0 | 0 | 111.4 | E225 T230 L231 | E225-I227 PolarHBondContact O-N 3.06Å; I227-T230 PolarHBondContact O-OG1 3.12Å; I227-L231 HydrophobicContact CG2-CD1 4.05Å; I227-L231 WeakPolarHBondContact O-CB 3.23Å; I227-L231 VanDerWaalsContact O-CG 3.28Å; I227-L231 WeakPolarHBondContact O-CG 3.21Å; I227-L231 PolarHBondContact O-N 3.25Å |
| 228 | W | 93.2 | Very high | 93.2 | Very high | 78 Ų | 78 | 64 Ų | 64 | 30% | 0.295 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -73.1 | -36.9 | -178.1 | -62.9 | 105.7 | 0 | 0 | 0 | 111.5 | E225 W226 G232 Y293 | E225-W228 PolarHBondContact O-N 3.18Å; E225-W228 VanDerWaalsContact O-N 3.15Å; W226-W228 VanDerWaalsContact C-N 3.34Å; W226-W228 PolarHBondContact O-N 2.86Å; W228-G232 PolarHBondContact O-N 3.06Å; W228-Y293 AromaticContact CD2-CD1 3.65Å; W228-Y293 HydrophobicContact CD2-CD1 3.65Å; W228-Y293 HydrophobicContact CD2-CE1 4.18Å; W228-Y293 AromaticContact CE2-CD1 3.49Å; W228-Y293 VanDerWaalsContact CE2-CD1 3.49Å; W228-Y293 AromaticContact CE2-CE1 3.51Å; W228-Y293 HydrophobicContact CE3-CD1 4Å; W228-Y293 HydrophobicContact CG-CD1 4.17Å; W228-Y293 HydrophobicContact CH2-CD1 4.04Å; W228-Y293 HydrophobicContact CH2-CE1 4.09Å; W228-Y293 AromaticContact CZ2-CD1 3.71Å; W228-Y293 HydrophobicContact CZ2-CD1 3.71Å; W228-Y293 AromaticContact CZ2-CE1 3.47Å; W228-Y293 HydrophobicContact CZ2-CE1 3.47Å; W228-Y293 VanDerWaalsContact CZ2-CE1 3.47Å; W228-Y293 HydrophobicContact CZ3-CD1 4.18Å; W228-Y293 AromaticContact NE1-CD1 3.93Å; W228-Y293 AromaticContact NE1-CE1 3.8Å |
| 229 | Y | 91.7 | Very high | 93.3 | Very high | 31 Ų | 31 | 65 Ų | 65 | 12% | 0.122 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.2 | -37 | 176 | -72.5 | -75.8 | 0 | 0 | 0 | 112.5 | C222 E225 W226 F233 F291 V298 | C222-Y229 HydrophobicContact CB-CD2 4.2Å; C222-Y229 HydrophobicContact CB-CE1 4.38Å; C222-Y229 HydrophobicContact CB-CE2 3.71Å; C222-Y229 WeakPolarHBondContact O-CD2 3.39Å; C222-Y229 WeakPolarHBondContact O-CE2 3.43Å; E225-Y229 HydrophobicContact CB-CD2 4.33Å; E225-Y229 HydrophobicContact CB-CE2 4.16Å; E225-Y229 WeakPolarHBondContact O-CD2 3.45Å; W226-Y229 PolarHBondContact O-N 2.93Å; Y229-F233 VanDerWaalsContact O-CB 3.29Å; Y229-F233 WeakPolarHBondContact O-CB 3.47Å; Y229-F233 PolarHBondContact O-N 3.05Å; Y229-F291 AromaticContact CD1-CD1 3.88Å; Y229-F291 HydrophobicContact CD1-CD1 3.88Å; Y229-F291 AromaticContact CD1-CE1 3.83Å; Y229-F291 HydrophobicContact CD1-CE1 3.83Å; Y229-F291 HydrophobicContact CE1-CD1 4.09Å; Y229-F291 HydrophobicContact CE1-CE1 4.39Å; Y229-V298 HydrophobicContact CE2-CG2 4.06Å |
| 230 | T | 92.8 | Very high | 93.4 | Very high | 61 Ų | 61 | 62.1 Ų | 62.1 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -70.6 | -44.8 | 175.9 | 52.1 | 0 | 0 | 0 | 0 | 111.6 | W226 I227 G232 F233 C234 | W226-T230 HydrophobicContact CE3-CG2 3.77Å; W226-T230 HydrophobicContact CZ3-CG2 4.28Å; W226-T230 WeakPolarHBondContact O-CG2 3.47Å; W226-T230 PolarHBondContact O-N 3.43Å; W226-T230 PolarHBondContact O-OG1 2.99Å; I227-T230 PolarHBondContact O-OG1 3.12Å; T230-G232 VanDerWaalsContact C-N 3.34Å; T230-G232 PolarHBondContact O-N 3Å; T230-F233 PolarHBondContact O-N 3.23Å; T230-C234 PolarHBondContact O-N 3.41Å; T230-C234 PolarHBondContact O-SG 2.91Å; T230-C234 VanDerWaalsContact O-SG 3.33Å |
| 231 | L | 95.2 | Very high | 93.4 | Very high | 73 Ų | 73 | 57.6 Ų | 57.6 | 38% | 0.382 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.5 | -46 | 172.4 | -74 | 172.2 | 0 | 0 | 0 | 111.4 | I227 F233 C234 F235 | I227-L231 HydrophobicContact CG2-CD1 4.05Å; I227-L231 WeakPolarHBondContact O-CB 3.23Å; I227-L231 VanDerWaalsContact O-CG 3.28Å; I227-L231 WeakPolarHBondContact O-CG 3.21Å; I227-L231 PolarHBondContact O-N 3.25Å; L231-F233 VanDerWaalsContact C-N 3.29Å; L231-F233 PolarHBondContact O-N 3.02Å; L231-C234 PolarHBondContact O-N 3.06Å; L231-F235 WeakPolarHBondContact O-CD2 3.45Å; L231-F235 PolarHBondContact O-N 2.9Å |
| 232 | G | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.4 | -40.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | W228 T230 F235 L236 F291 | W228-G232 PolarHBondContact O-N 3.06Å; T230-G232 VanDerWaalsContact C-N 3.34Å; T230-G232 PolarHBondContact O-N 3Å; G232-F235 PolarHBondContact O-N 3.33Å; G232-L236 WeakPolarHBondContact O-CB 3.5Å; G232-L236 PolarHBondContact O-N 2.79Å; G232-F291 VanDerWaalsContact C-CE2 3.46Å; G232-F291 WeakPolarHBondContact O-CE2 3.42Å |
| 233 | F | 94.2 | Very high | 93.5 | Very high | 86 Ų | 86 | 61.3 Ų | 61.3 | 38% | 0.377 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.7 | -42 | 175.7 | -177.2 | -101.2 | 0 | 0 | 0 | 112.8 | Y229 T230 L231 F235 L236 F237 L349 I353 | Y229-F233 VanDerWaalsContact O-CB 3.29Å; Y229-F233 WeakPolarHBondContact O-CB 3.47Å; Y229-F233 PolarHBondContact O-N 3.05Å; T230-F233 PolarHBondContact O-N 3.23Å; L231-F233 VanDerWaalsContact C-N 3.29Å; L231-F233 PolarHBondContact O-N 3.02Å; F233-F235 PolarHBondContact O-N 3.49Å; F233-L236 WeakPolarHBondContact O-CB 3.39Å; F233-L236 PolarHBondContact O-N 3.48Å; F233-F237 PolarHBondContact O-N 2.77Å; F233-L349 HydrophobicContact CD2-CD1 4.02Å; F233-L349 HydrophobicContact CE2-CD1 4.3Å; F233-L349 HydrophobicContact CE2-CD2 4.24Å; F233-I353 HydrophobicContact CE2-CD1 4.4Å |
| 234 | C | 95.6 | Very high | 93.7 | Very high | 73 Ų | 73 | 58.5 Ų | 58.5 | 49% | 0.493 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.7 | -47.8 | 174.8 | -69.8 | 0 | 0 | 0 | 0 | 111.3 | T230 L231 L236 F237 L238 | T230-C234 PolarHBondContact O-N 3.41Å; T230-C234 PolarHBondContact O-SG 2.91Å; T230-C234 VanDerWaalsContact O-SG 3.33Å; L231-C234 PolarHBondContact O-N 3.06Å; C234-L236 VanDerWaalsContact C-N 3.33Å; C234-L236 PolarHBondContact O-N 2.87Å; C234-F237 PolarHBondContact O-N 3.43Å; C234-L238 WeakPolarHBondContact O-CG 3.43Å; C234-L238 PolarHBondContact O-N 2.93Å |
| 235 | F | 96.5 | Very high | 93.8 | Very high | 49 Ų | 49 | 57.1 Ų | 57.1 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.5 | -33 | 175.6 | -69.7 | -58.6 | 0 | 0 | 0 | 112.9 | L231 G232 F233 L238 Y239 F283 F286 R287 | L231-F235 WeakPolarHBondContact O-CD2 3.45Å; L231-F235 PolarHBondContact O-N 2.9Å; G232-F235 PolarHBondContact O-N 3.33Å; F233-F235 PolarHBondContact O-N 3.49Å; F235-L238 HydrophobicContact CD1-CD1 4.44Å; F235-L238 PolarHBondContact O-N 3.31Å; F235-Y239 WeakPolarHBondContact O-CB 3.35Å; F235-Y239 PolarHBondContact O-N 3.18Å; F235-F283 AromaticContact CD1-CD1 3.91Å; F235-F283 HydrophobicContact CD1-CD1 3.91Å; F235-F283 HydrophobicContact CE1-CD1 4.39Å; F235-F286 HydrophobicContact CB-CB 4.39Å; F235-F286 HydrophobicContact CD1-CB 3.79Å; F235-F286 HydrophobicContact CD1-CG 4.45Å; F235-F286 HydrophobicContact CD2-CB 3.7Å; F235-F286 HydrophobicContact CE1-CB 3.89Å; F235-F286 HydrophobicContact CE1-CD2 4.2Å; F235-F286 HydrophobicContact CE1-CG 4.12Å; F235-F286 HydrophobicContact CE2-CB 3.8Å; F235-F286 HydrophobicContact CE2-CG 4.39Å; F235-F286 HydrophobicContact CG-CB 3.7Å; F235-F286 HydrophobicContact CZ-CB 3.89Å; F235-F286 HydrophobicContact CZ-CD1 4.49Å; F235-F286 HydrophobicContact CZ-CG 4.08Å; F235-R287 HydrophobicContact CB-CB 3.81Å |
| 236 | L | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 172.8 | -177.5 | 157.5 | 0 | 0 | 0 | 111.5 | G232 F233 C234 S240 R287 F291 N346 L349 R350 I353 | G232-L236 WeakPolarHBondContact O-CB 3.5Å; G232-L236 PolarHBondContact O-N 2.79Å; F233-L236 WeakPolarHBondContact O-CB 3.39Å; F233-L236 PolarHBondContact O-N 3.48Å; C234-L236 VanDerWaalsContact C-N 3.33Å; C234-L236 PolarHBondContact O-N 2.87Å; L236-S240 WeakPolarHBondContact O-CB 3.5Å; L236-S240 PolarHBondContact O-N 3.29Å; L236-S240 PolarHBondContact O-OG 3.2Å; L236-R287 HydrophobicContact CB-CG 3.89Å; L236-F291 HydrophobicContact CB-CE2 4.27Å; L236-F291 HydrophobicContact CD1-CE2 3.88Å; L236-F291 HydrophobicContact CD1-CZ 4.07Å; L236-N346 WeakPolarHBondContact CD1-OD1 3.46Å; L236-L349 HydrophobicContact CD1-CB 4.15Å; L236-L349 HydrophobicContact CD2-CB 4.36Å; L236-R350 HydrophobicContact CD1-CB 4.19Å; L236-R350 HydrophobicContact CD2-CB 4.35Å; L236-R350 HydrophobicContact CG-CB 4.28Å; L236-I353 HydrophobicContact CD2-CD1 3.47Å; L236-I353 VanDerWaalsContact CD2-CD1 3.47Å |
| 237 | F | 95.4 | Very high | 93.8 | Very high | 96 Ų | 96 | 50.4 Ų | 50.4 | 42% | 0.421 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.4 | -47.9 | 176.6 | -176.1 | -96.8 | 0 | 0 | 0 | 111.1 | F233 C234 S240 L241 I353 | F233-F237 PolarHBondContact O-N 2.77Å; C234-F237 PolarHBondContact O-N 3.43Å; F237-S240 WeakPolarHBondContact O-CB 3.47Å; F237-S240 PolarHBondContact O-N 3.02Å; F237-L241 HydrophobicContact CE1-CD1 4.13Å; F237-L241 HydrophobicContact CZ-CD1 4.08Å; F237-L241 WeakPolarHBondContact O-CB 3.23Å; F237-L241 PolarHBondContact O-N 3.49Å; F237-I353 HydrophobicContact CD2-CD1 4.11Å |
| 238 | L | 95.4 | Very high | 93.7 | Very high | 67 Ų | 67 | 49.4 Ų | 49.4 | 35% | 0.351 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 176.9 | -69.6 | 171.7 | 0 | 0 | 0 | 112.4 | C234 F235 S240 L241 S242 F283 | C234-L238 WeakPolarHBondContact O-CG 3.43Å; C234-L238 PolarHBondContact O-N 2.93Å; F235-L238 HydrophobicContact CD1-CD1 4.44Å; F235-L238 PolarHBondContact O-N 3.31Å; L238-S240 VanDerWaalsContact C-N 3.29Å; L238-S240 PolarHBondContact O-N 3.38Å; L238-L241 PolarHBondContact O-N 3.23Å; L238-S242 PolarHBondContact O-N 3.09Å; L238-S242 PolarHBondContact O-OG 3.14Å; L238-F283 HydrophobicContact CB-CB 4.44Å; L238-F283 HydrophobicContact CB-CD1 4.06Å; L238-F283 HydrophobicContact CB-CD2 3.67Å; L238-F283 HydrophobicContact CB-CE1 4.2Å; L238-F283 HydrophobicContact CB-CE2 3.82Å; L238-F283 HydrophobicContact CB-CG 3.81Å; L238-F283 HydrophobicContact CB-CZ 4.09Å; L238-F283 HydrophobicContact CD1-CD1 4.16Å; L238-F283 HydrophobicContact CD1-CE1 3.8Å; L238-F283 HydrophobicContact CD1-CZ 4.06Å; L238-F283 HydrophobicContact CG-CZ 4.49Å |
| 239 | Y | 95.2 | Very high | 93.6 | Very high | 24 Ų | 24 | 48.1 Ų | 48.1 | 9% | 0.094 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -54.5 | -48.4 | 172.8 | 166.3 | -109.5 | 0 | 0 | 0 | 111.5 | F235 S242 R243 S280 A284 R350 | F235-Y239 WeakPolarHBondContact O-CB 3.35Å; F235-Y239 PolarHBondContact O-N 3.18Å; Y239-S242 PolarHBondContact O-N 2.89Å; Y239-R243 VanDerWaalsContact O-CB 3.28Å; Y239-R243 WeakPolarHBondContact O-CB 3.42Å; Y239-R243 PolarHBondContact O-N 3.04Å; Y239-R243 VanDerWaalsContact OH-CD 3.29Å; Y239-R243 WeakPolarHBondContact OH-CD 3.45Å; Y239-R243 PolarHBondContact OH-NH1 3.12Å; Y239-S280 WeakPolarHBondContact CD2-O 3.28Å; Y239-A284 HydrophobicContact CD2-CB 3.76Å; Y239-A284 HydrophobicContact CE2-CB 3.73Å; Y239-R350 HydrophobicContact CE1-CG 4.29Å |
| 240 | S | 93.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.2 | -48.5 | -178.7 | -65.5 | 0 | 0 | 0 | 0 | 110.6 | L236 F237 L238 S242 R243 I244 M354 | L236-S240 WeakPolarHBondContact O-CB 3.5Å; L236-S240 PolarHBondContact O-N 3.29Å; L236-S240 PolarHBondContact O-OG 3.2Å; F237-S240 WeakPolarHBondContact O-CB 3.47Å; F237-S240 PolarHBondContact O-N 3.02Å; L238-S240 VanDerWaalsContact C-N 3.29Å; L238-S240 PolarHBondContact O-N 3.38Å; S240-S242 PolarHBondContact O-N 3.46Å; S240-R243 PolarHBondContact O-N 3.06Å; S240-I244 WeakPolarHBondContact O-CB 3.47Å; S240-I244 WeakPolarHBondContact O-CD1 3.3Å; S240-I244 VanDerWaalsContact O-CG1 3.24Å; S240-I244 WeakPolarHBondContact O-CG1 3.42Å; S240-I244 PolarHBondContact O-N 3.27Å; S240-M354 WeakPolarHBondContact O-CE 3.28Å |
| 241 | L | 92.1 | Very high | 93.3 | Very high | 80 Ų | 80 | 45.8 Ų | 45.8 | 42% | 0.419 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.3 | -47.7 | 178.2 | -159.8 | 99.4 | 0 | 0 | 0 | 111.2 | F237 L238 R243 I244 F245 | F237-L241 HydrophobicContact CE1-CD1 4.13Å; F237-L241 HydrophobicContact CZ-CD1 4.08Å; F237-L241 WeakPolarHBondContact O-CB 3.23Å; F237-L241 PolarHBondContact O-N 3.49Å; L238-L241 PolarHBondContact O-N 3.23Å; L241-R243 PolarHBondContact O-N 3.06Å; L241-I244 PolarHBondContact O-N 3.44Å; L241-F245 HydrophobicContact CG-CE2 4.47Å; L241-F245 VanDerWaalsContact O-CD2 3.24Å; L241-F245 WeakPolarHBondContact O-CD2 3.24Å |
| 242 | S | 92 | Very high | 92.7 | Very high | 13 Ų | 13 | 44.5 Ų | 44.5 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.8 | -38.9 | 177.9 | -58.9 | 0 | 0 | 0 | 0 | 112.7 | L238 Y239 S240 | L238-S242 PolarHBondContact O-N 3.09Å; L238-S242 PolarHBondContact O-OG 3.14Å; Y239-S242 PolarHBondContact O-N 2.89Å; S240-S242 PolarHBondContact O-N 3.46Å |
| 243 | R | 92.4 | Very high | 92.3 | Very high | 90 Ų | 90 | 45.3 Ų | 45.3 | 34% | 0.34 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -73.6 | -32.3 | -179 | -173.5 | 170.5 | -178.6 | -168.2 | -5.4 | 112.9 | Y239 S240 L241 F245 I246 | Y239-R243 VanDerWaalsContact O-CB 3.28Å; Y239-R243 WeakPolarHBondContact O-CB 3.42Å; Y239-R243 PolarHBondContact O-N 3.04Å; Y239-R243 VanDerWaalsContact OH-CD 3.29Å; Y239-R243 WeakPolarHBondContact OH-CD 3.45Å; Y239-R243 PolarHBondContact OH-NH1 3.12Å; S240-R243 PolarHBondContact O-N 3.06Å; L241-R243 PolarHBondContact O-N 3.06Å; R243-F245 VanDerWaalsContact C-N 3.28Å; R243-F245 PolarHBondContact O-N 3.37Å; R243-I246 HydrophobicContact CG-CD1 4.41Å; R243-I246 PolarHBondContact O-N 2.94Å |
| 244 | I | 93.9 | Very high | 91.8 | Very high | 11 Ų | 11 | 44.2 Ų | 44.2 | 6% | 0.056 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.1 | -40.2 | 178.4 | -78.9 | 158.9 | 0 | 0 | 0 | 110.8 | S240 L241 I246 P247 I353 M354 I361 Y505 | S240-I244 WeakPolarHBondContact O-CB 3.47Å; S240-I244 WeakPolarHBondContact O-CD1 3.3Å; S240-I244 VanDerWaalsContact O-CG1 3.24Å; S240-I244 WeakPolarHBondContact O-CG1 3.42Å; S240-I244 PolarHBondContact O-N 3.27Å; L241-I244 PolarHBondContact O-N 3.44Å; I244-I246 VanDerWaalsContact C-N 3.33Å; I244-I246 PolarHBondContact O-N 2.71Å; I244-P247 WeakPolarHBondContact O-CD 3.4Å; I244-I353 HydrophobicContact CD1-CG2 4.15Å; I244-M354 HydrophobicContact CD1-CE 3.61Å; I244-M354 HydrophobicContact CG1-CE 3.44Å; I244-M354 VanDerWaalsContact CG1-CE 3.44Å; I244-M354 HydrophobicContact CG1-SD 3.96Å; I244-I361 HydrophobicContact CG2-CD1 3.29Å; I244-I361 HydrophobicContact CG2-CG1 4.49Å; I244-Y505 HydrophobicContact CG2-CE1 4.35Å; I244-Y505 WeakPolarHBondContact O-CE1 3.19Å; I244-Y505 PolarHBondContact O-OH 2.92Å |
| 245 | F | 92.8 | Very high | 91 | Very high | 83 Ų | 83 | 40.9 Ų | 40.9 | 36% | 0.364 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -10.1 | -175.8 | -72.6 | -75.4 | 0 | 0 | 0 | 115.1 | L241 R243 Y248 Y249 L276 I361 | L241-F245 HydrophobicContact CG-CE2 4.47Å; L241-F245 VanDerWaalsContact O-CD2 3.24Å; L241-F245 WeakPolarHBondContact O-CD2 3.24Å; R243-F245 VanDerWaalsContact C-N 3.28Å; R243-F245 PolarHBondContact O-N 3.37Å; F245-Y248 WeakPolarHBondContact O-CB 3.29Å; F245-Y248 PolarHBondContact O-N 2.94Å; F245-Y249 HydrophobicContact CB-CD2 4.26Å; F245-Y249 HydrophobicContact CB-CE2 4.16Å; F245-Y249 WeakPolarHBondContact O-CD2 3.46Å; F245-Y249 PolarHBondContact O-N 3.35Å; F245-L276 HydrophobicContact CB-CD1 3.85Å; F245-I361 HydrophobicContact CD1-CD1 4.29Å; F245-I361 HydrophobicContact CE1-CD1 4.09Å |
| 246 | I | 91.7 | Very high | 90.1 | Very high | 39 Ų | 39 | 39.6 Ų | 39.6 | 20% | 0.2 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.1 | -48.2 | -176.1 | -62.7 | 174 | 0 | 0 | 0 | 112.3 | R243 I244 Y248 Y249 T250 L276 | R243-I246 HydrophobicContact CG-CD1 4.41Å; R243-I246 PolarHBondContact O-N 2.94Å; I244-I246 VanDerWaalsContact C-N 3.33Å; I244-I246 PolarHBondContact O-N 2.71Å; I246-Y248 VanDerWaalsContact C-N 3.27Å; I246-Y248 PolarHBondContact O-N 2.89Å; I246-Y249 PolarHBondContact O-N 3.44Å; I246-T250 WeakPolarHBondContact O-CB 3.48Å; I246-T250 PolarHBondContact O-N 2.9Å; I246-T250 PolarHBondContact O-OG1 2.95Å; I246-L276 HydrophobicContact CG1-CB 4.37Å |
| 247 | P | 92.3 | Very high | 89.2 | Confident | 18 Ų | 18 | 44 Ų | 44 | 12% | 0.117 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.3 | -38.6 | 173.1 | -29.9 | 37.1 | 0 | 0 | 0 | 114.2 | I244 T250 G251 L504 Y505 | I244-P247 WeakPolarHBondContact O-CD 3.4Å; P247-T250 PolarHBondContact O-N 3.06Å; P247-G251 PolarHBondContact O-N 3.23Å; P247-L504 HydrophobicContact CB-CB 3.82Å; P247-Y505 HydrophobicContact CB-CD1 4.13Å; P247-Y505 HydrophobicContact CB-CD2 4.29Å; P247-Y505 HydrophobicContact CB-CE1 4Å; P247-Y505 HydrophobicContact CB-CE2 4.14Å; P247-Y505 HydrophobicContact CB-CG 4.27Å; P247-Y505 HydrophobicContact CG-CD1 4.35Å; P247-Y505 HydrophobicContact CG-CE1 4.15Å |
| 248 | Y | 92.1 | Very high | 88 | Confident | 66 Ų | 66 | 45.1 Ų | 45.1 | 26% | 0.259 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.2 | -54.6 | 178.3 | -179.5 | -99.8 | 0 | 0 | 0 | 111.8 | F245 I246 T250 G251 Q252 L365 P501 Y505 | F245-Y248 WeakPolarHBondContact O-CB 3.29Å; F245-Y248 PolarHBondContact O-N 2.94Å; I246-Y248 VanDerWaalsContact C-N 3.27Å; I246-Y248 PolarHBondContact O-N 2.89Å; Y248-T250 VanDerWaalsContact C-N 3.31Å; Y248-T250 PolarHBondContact O-N 3.13Å; Y248-G251 PolarHBondContact O-N 3.14Å; Y248-Q252 HydrophobicContact CD1-CG 4.47Å; Y248-Q252 VanDerWaalsContact CE1-CD 3.48Å; Y248-Q252 HydrophobicContact CE1-CG 4.22Å; Y248-Q252 WeakPolarHBondContact O-CG 3.24Å; Y248-Q252 PolarHBondContact O-N 2.82Å; Y248-Q252 PolarHBondContact OH-NE2 2.89Å; Y248-L365 HydrophobicContact CD2-CD2 4.23Å; Y248-L365 HydrophobicContact CE2-CD2 3.95Å; Y248-P501 HydrophobicContact CD2-CB 4.43Å; Y248-Y505 VanDerWaalsContact CB-OH 3.27Å; Y248-Y505 WeakPolarHBondContact CB-OH 3.33Å |
| 249 | Y | 90.1 | Very high | 86.7 | Confident | 50 Ų | 50 | 46 Ų | 46 | 20% | 0.196 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68 | -31.8 | 179.6 | -72.7 | -72 | 0 | 0 | 0 | 112.6 | F245 I246 Q252 V253 Y272 M273 L276 | F245-Y249 HydrophobicContact CB-CD2 4.26Å; F245-Y249 HydrophobicContact CB-CE2 4.16Å; F245-Y249 WeakPolarHBondContact O-CD2 3.46Å; F245-Y249 PolarHBondContact O-N 3.35Å; I246-Y249 PolarHBondContact O-N 3.44Å; Y249-Q252 PolarHBondContact O-N 3.32Å; Y249-V253 WeakPolarHBondContact O-CB 3.46Å; Y249-V253 WeakPolarHBondContact O-CG2 3.31Å; Y249-V253 PolarHBondContact O-N 2.9Å; Y249-Y272 AromaticContact CE1-CD2 3.98Å; Y249-Y272 HydrophobicContact CE1-CD2 3.98Å; Y249-Y272 HydrophobicContact CE1-CG 4.1Å; Y249-M273 VanDerWaalsContact CB-CG 3.42Å; Y249-M273 HydrophobicContact CG-CG 4.38Å; Y249-L276 HydrophobicContact CD2-CD1 3.53Å; Y249-L276 HydrophobicContact CE2-CD1 3.54Å |
| 250 | T | 89.7 | Confident | 85.4 | Confident | 44 Ų | 44 | 47.4 Ų | 47.4 | 27% | 0.27 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.4 | -47.1 | 173.5 | -56.3 | 0 | 0 | 0 | 0 | 110.6 | I246 P247 Y248 Q252 V253 I254 L504 | I246-T250 WeakPolarHBondContact O-CB 3.48Å; I246-T250 PolarHBondContact O-N 2.9Å; I246-T250 PolarHBondContact O-OG1 2.95Å; P247-T250 PolarHBondContact O-N 3.06Å; Y248-T250 VanDerWaalsContact C-N 3.31Å; Y248-T250 PolarHBondContact O-N 3.13Å; T250-Q252 VanDerWaalsContact C-N 3.35Å; T250-Q252 PolarHBondContact O-N 3.25Å; T250-V253 PolarHBondContact O-N 3.12Å; T250-I254 HydrophobicContact CG2-CD1 4.11Å; T250-I254 VanDerWaalsContact O-CG1 3.32Å; T250-I254 WeakPolarHBondContact O-CG1 3.38Å; T250-I254 PolarHBondContact O-N 2.8Å; T250-I254 VanDerWaalsContact O-N 3.09Å; T250-L504 HydrophobicContact CG2-CD1 3.8Å |
| 251 | G | 88.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.5 | -37 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P247 Y248 I254 A255 | P247-G251 PolarHBondContact O-N 3.23Å; Y248-G251 PolarHBondContact O-N 3.14Å; G251-I254 PolarHBondContact O-N 3.28Å; G251-A255 VanDerWaalsContact O-CB 3.32Å; G251-A255 WeakPolarHBondContact O-CB 3.29Å; G251-A255 PolarHBondContact O-N 3.4Å |
| 252 | Q | 83.5 | Confident | 83.6 | Confident | 45 Ų | 45 | 50.1 Ų | 50.1 | 21% | 0.21 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 173 | -74.1 | -165.8 | -21.8 | 0 | 0 | 112.6 | Y248 Y249 T250 I254 A255 E256 | Y248-Q252 HydrophobicContact CD1-CG 4.47Å; Y248-Q252 VanDerWaalsContact CE1-CD 3.48Å; Y248-Q252 HydrophobicContact CE1-CG 4.22Å; Y248-Q252 WeakPolarHBondContact O-CG 3.24Å; Y248-Q252 PolarHBondContact O-N 2.82Å; Y248-Q252 PolarHBondContact OH-NE2 2.89Å; Y249-Q252 PolarHBondContact O-N 3.32Å; T250-Q252 VanDerWaalsContact C-N 3.35Å; T250-Q252 PolarHBondContact O-N 3.25Å; Q252-I254 VanDerWaalsContact C-N 3.34Å; Q252-I254 PolarHBondContact O-N 3.48Å; Q252-A255 PolarHBondContact O-N 3.17Å; Q252-E256 VanDerWaalsContact O-CB 3.31Å; Q252-E256 WeakPolarHBondContact O-CB 3.42Å; Q252-E256 VanDerWaalsContact O-CG 3.24Å; Q252-E256 WeakPolarHBondContact O-CG 3.34Å; Q252-E256 PolarHBondContact O-N 3.39Å |
| 253 | V | 84.8 | Confident | 83.1 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 178 | 167.1 | 0 | 0 | 0 | 0 | 110.6 | Y249 T250 A255 E256 I257 L266 A269 M273 | Y249-V253 WeakPolarHBondContact O-CB 3.46Å; Y249-V253 WeakPolarHBondContact O-CG2 3.31Å; Y249-V253 PolarHBondContact O-N 2.9Å; T250-V253 PolarHBondContact O-N 3.12Å; V253-A255 PolarHBondContact O-N 3.3Å; V253-E256 PolarHBondContact O-N 3.19Å; V253-I257 HydrophobicContact CG1-CD1 3.7Å; V253-I257 HydrophobicContact CG1-CG1 4.45Å; V253-I257 WeakPolarHBondContact O-CB 3.1Å; V253-I257 WeakPolarHBondContact O-CD1 3.49Å; V253-I257 WeakPolarHBondContact O-CG1 3.36Å; V253-I257 PolarHBondContact O-N 3.44Å; V253-L266 HydrophobicContact CG1-CD1 3.83Å; V253-A269 HydrophobicContact CG2-CB 3.47Å; V253-A269 VanDerWaalsContact CG2-CB 3.47Å; V253-M273 HydrophobicContact CB-CE 4.36Å; V253-M273 HydrophobicContact CG1-CE 4.45Å; V253-M273 HydrophobicContact CG2-CE 3.56Å; V253-M273 HydrophobicContact CG2-SD 4.01Å |
| 254 | I | 84.8 | Confident | 82.7 | Confident | 64 Ų | 64 | 59.2 Ų | 59.2 | 33% | 0.328 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 178.1 | -63.9 | 165.9 | 0 | 0 | 0 | 110.3 | T250 G251 Q252 E256 I257 I258 I500 | T250-I254 HydrophobicContact CG2-CD1 4.11Å; T250-I254 VanDerWaalsContact O-CG1 3.32Å; T250-I254 WeakPolarHBondContact O-CG1 3.38Å; T250-I254 PolarHBondContact O-N 2.8Å; T250-I254 VanDerWaalsContact O-N 3.09Å; G251-I254 PolarHBondContact O-N 3.28Å; Q252-I254 VanDerWaalsContact C-N 3.34Å; Q252-I254 PolarHBondContact O-N 3.48Å; I254-E256 VanDerWaalsContact C-N 3.33Å; I254-E256 PolarHBondContact O-N 3.49Å; I254-I257 PolarHBondContact O-N 2.63Å; I254-I258 HydrophobicContact CG2-CD1 3.63Å; I254-I258 HydrophobicContact CG2-CG1 4.48Å; I254-I258 WeakPolarHBondContact O-CB 3.5Å; I254-I258 VanDerWaalsContact O-CG1 3.26Å; I254-I258 WeakPolarHBondContact O-CG1 3.37Å; I254-I258 PolarHBondContact O-N 3.15Å; I254-I500 HydrophobicContact CB-CD1 4.28Å; I254-I500 HydrophobicContact CB-CG2 4.5Å; I254-I500 HydrophobicContact CD1-CG2 4.14Å; I254-I500 HydrophobicContact CG2-CD1 3.58Å |
| 255 | A | 79 | Confident | 82 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 3% | 0.025 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.4 | -36.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G251 Q252 V253 V259 K497 | G251-A255 VanDerWaalsContact O-CB 3.32Å; G251-A255 WeakPolarHBondContact O-CB 3.29Å; G251-A255 PolarHBondContact O-N 3.4Å; Q252-A255 PolarHBondContact O-N 3.17Å; V253-A255 PolarHBondContact O-N 3.3Å; A255-V259 WeakPolarHBondContact O-CB 3.4Å; A255-V259 VanDerWaalsContact O-CG2 3.31Å; A255-V259 WeakPolarHBondContact O-CG2 3.39Å; A255-V259 PolarHBondContact O-N 3.46Å; A255-K497 HydrophobicContact CB-CB 4.13Å; A255-K497 HydrophobicContact CB-CG 4.12Å |
| 256 | E | 77.1 | Confident | 81.6 | Confident | 21 Ų | 21 | 61.8 Ų | 61.8 | 10% | 0.098 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -72.7 | -38.4 | 178.9 | -75.4 | 179.5 | 171.2 | 0 | 0 | 112.7 | Q252 V253 I254 T260 S261 K265 L266 | Q252-E256 VanDerWaalsContact O-CB 3.31Å; Q252-E256 WeakPolarHBondContact O-CB 3.42Å; Q252-E256 VanDerWaalsContact O-CG 3.24Å; Q252-E256 WeakPolarHBondContact O-CG 3.34Å; Q252-E256 PolarHBondContact O-N 3.39Å; V253-E256 PolarHBondContact O-N 3.19Å; I254-E256 VanDerWaalsContact C-N 3.33Å; I254-E256 PolarHBondContact O-N 3.49Å; E256-T260 PolarHBondContact O-N 2.88Å; E256-S261 PolarHBondContact O-N 3.48Å; E256-K265 HydrophobicContact CG-CB 4.5Å; E256-K265 VanDerWaalsContact OE2-CB 3.29Å; E256-K265 WeakPolarHBondContact OE2-CB 3.34Å; E256-L266 PolarHBondContact OE2-N 3.22Å |
| 257 | I | 76 | Confident | 81.3 | Confident | 92 Ų | 92 | 64.3 Ų | 64.3 | 47% | 0.472 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.1 | -49.3 | 172.6 | -68 | 164.8 | 0 | 0 | 0 | 109.9 | V253 I254 L266 | V253-I257 HydrophobicContact CG1-CD1 3.7Å; V253-I257 HydrophobicContact CG1-CG1 4.45Å; V253-I257 WeakPolarHBondContact O-CB 3.1Å; V253-I257 WeakPolarHBondContact O-CD1 3.49Å; V253-I257 WeakPolarHBondContact O-CG1 3.36Å; V253-I257 PolarHBondContact O-N 3.44Å; I254-I257 PolarHBondContact O-N 2.63Å; I257-L266 HydrophobicContact CD1-CD1 3.94Å; I257-L266 HydrophobicContact CG1-CD1 3.68Å |
| 258 | I | 70.7 | Confident | 81 | Confident | 120 Ų | 120 | 65.8 Ų | 65.8 | 62% | 0.615 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -73.1 | -41.4 | -174.5 | -64.6 | 170.2 | 0 | 0 | 0 | 111.7 | I254 | I254-I258 HydrophobicContact CG2-CD1 3.63Å; I254-I258 HydrophobicContact CG2-CG1 4.48Å; I254-I258 WeakPolarHBondContact O-CB 3.5Å; I254-I258 VanDerWaalsContact O-CG1 3.26Å; I254-I258 WeakPolarHBondContact O-CG1 3.37Å; I254-I258 PolarHBondContact O-N 3.15Å |
| 259 | V | 67.8 | Low | 80.7 | Confident | 87 Ų | 87 | 62.7 Ų | 62.7 | 53% | 0.527 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -103.1 | -39.9 | -166.4 | -176.3 | 0 | 0 | 0 | 0 | 113.4 | A255 | A255-V259 WeakPolarHBondContact O-CB 3.4Å; A255-V259 VanDerWaalsContact O-CG2 3.31Å; A255-V259 WeakPolarHBondContact O-CG2 3.39Å; A255-V259 PolarHBondContact O-N 3.46Å |
| 260 | T | 68.6 | Low | 80.6 | Confident | 53 Ų | 53 | 63.3 Ų | 63.3 | 33% | 0.325 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -23.4 | -168.3 | -46.7 | 0 | 0 | 0 | 0 | 113.2 | E256 S262 | E256-T260 PolarHBondContact O-N 2.88Å; T260-S262 PolarHBondContact O-N 3.04Å |
| 261 | S | 73.3 | Confident | 80.6 | Confident | 102 Ų | 102 | 67.3 Ų | 67.3 | 71% | 0.713 | 36% | 0.361 | S | S | * | . | trans | 48.1 | 31 | -177.3 | -65.4 | 0 | 0 | 0 | 0 | 113.7 | E256 | E256-S261 PolarHBondContact O-N 3.48Š| ||
| 262 | S | 75.3 | Confident | 80.7 | Confident | 34 Ų | 34 | 73.2 Ų | 73.2 | 24% | 0.238 | 38% | 0.384 | C | S | . | . | trans | -97.9 | 113.1 | -176.9 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | T260 E264 K265 L266 | T260-S262 PolarHBondContact O-N 3.04Å; S262-E264 VanDerWaalsContact C-N 3.27Å; S262-E264 PolarHBondContact O-N 2.91Å; S262-K265 PolarHBondContact O-N 3.15Å; S262-L266 WeakPolarHBondContact O-CB 3.45Å; S262-L266 PolarHBondContact O-N 2.85Å; S262-L266 VanDerWaalsContact O-N 3.13Å | ||
| 263 | N | 80.5 | Confident | 81 | Confident | 133 Ų | 133 | 72.8 Ų | 72.8 | 71% | 0.711 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.8 | -34.2 | 178 | -75.4 | -27.3 | 0 | 0 | 0 | 113 | L267 | N263-L267 VanDerWaalsContact O-CB 3.26Å; N263-L267 WeakPolarHBondContact O-CB 3.48Å; N263-L267 PolarHBondContact O-N 3.37Å |
| 264 | E | 83.6 | Confident | 81.4 | Confident | 162 Ų | 162 | 74.8 Ų | 74.8 | 76% | 0.757 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -68.1 | -47 | -178.5 | -66.4 | -170.2 | 162.5 | 0 | 0 | 112.3 | S262 L267 S268 | S262-E264 VanDerWaalsContact C-N 3.27Å; S262-E264 PolarHBondContact O-N 2.91Å; E264-L267 PolarHBondContact O-N 3.21Å; E264-S268 PolarHBondContact O-N 3.16Å |
| 265 | K | 79.7 | Confident | 81.8 | Confident | 97 Ų | 97 | 77.2 Ų | 77.2 | 42% | 0.422 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.8 | -43.7 | 179.1 | -66.9 | -169.9 | 176.8 | 179.7 | 0 | 111.2 | E256 S262 L267 S268 A269 | E256-K265 HydrophobicContact CG-CB 4.5Å; E256-K265 VanDerWaalsContact OE2-CB 3.29Å; E256-K265 WeakPolarHBondContact OE2-CB 3.34Å; S262-K265 PolarHBondContact O-N 3.15Å; K265-L267 VanDerWaalsContact C-N 3.33Å; K265-L267 PolarHBondContact O-N 2.93Å; K265-S268 PolarHBondContact O-N 2.87Å; K265-S268 PolarHBondContact O-OG 3.41Å; K265-A269 PolarHBondContact O-N 3.44Å |
| 266 | L | 83.7 | Confident | 82.5 | Confident | 50 Ų | 50 | 78.6 Ų | 78.6 | 26% | 0.262 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -52.5 | -51.1 | 171.8 | 179.4 | 65.1 | 0 | 0 | 0 | 111.3 | V253 E256 I257 S262 S268 A269 V270 | V253-L266 HydrophobicContact CG1-CD1 3.83Å; E256-L266 PolarHBondContact OE2-N 3.22Å; I257-L266 HydrophobicContact CD1-CD1 3.94Å; I257-L266 HydrophobicContact CG1-CD1 3.68Å; S262-L266 WeakPolarHBondContact O-CB 3.45Å; S262-L266 PolarHBondContact O-N 2.85Å; S262-L266 VanDerWaalsContact O-N 3.13Å; L266-S268 VanDerWaalsContact C-N 3.32Å; L266-S268 PolarHBondContact O-N 3.44Å; L266-A269 PolarHBondContact O-N 3.24Å; L266-V270 HydrophobicContact CD1-CG2 4.28Å; L266-V270 WeakPolarHBondContact O-CB 3.41Å; L266-V270 VanDerWaalsContact O-CG2 3.23Å; L266-V270 WeakPolarHBondContact O-CG2 3.16Å; L266-V270 PolarHBondContact O-N 3.32Å |
| 267 | L | 86.3 | Confident | 83.3 | Confident | 92 Ų | 92 | 79.8 Ų | 79.8 | 48% | 0.482 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 179.2 | -178.3 | 64 | 0 | 0 | 0 | 111.9 | N263 E264 K265 K271 | N263-L267 VanDerWaalsContact O-CB 3.26Å; N263-L267 WeakPolarHBondContact O-CB 3.48Å; N263-L267 PolarHBondContact O-N 3.37Å; E264-L267 PolarHBondContact O-N 3.21Å; K265-L267 VanDerWaalsContact C-N 3.33Å; K265-L267 PolarHBondContact O-N 2.93Å; L267-K271 HydrophobicContact CG-CD 4.25Å; L267-K271 WeakPolarHBondContact O-CB 3.22Å; L267-K271 WeakPolarHBondContact O-CG 3.28Å; L267-K271 PolarHBondContact O-N 3.3Å |
| 268 | S | 86.2 | Confident | 84.2 | Confident | 49 Ų | 49 | 80.6 Ų | 80.6 | 34% | 0.343 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.9 | -45.7 | 177.5 | 76.3 | 0 | 0 | 0 | 0 | 112.2 | E264 K265 L266 K271 Y272 | E264-S268 PolarHBondContact O-N 3.16Å; K265-S268 PolarHBondContact O-N 2.87Å; K265-S268 PolarHBondContact O-OG 3.41Å; L266-S268 VanDerWaalsContact C-N 3.32Å; L266-S268 PolarHBondContact O-N 3.44Å; S268-K271 WeakPolarHBondContact O-CB 3.28Å; S268-K271 PolarHBondContact O-N 3.37Å; S268-Y272 WeakPolarHBondContact O-CD2 3.31Å; S268-Y272 PolarHBondContact O-N 2.68Å |
| 269 | A | 84.7 | Confident | 85.3 | Confident | 2 Ų | 2 | 76 Ų | 76 | 2% | 0.017 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67.3 | -40.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V253 K265 L266 K271 Y272 M273 | V253-A269 HydrophobicContact CG2-CB 3.47Å; V253-A269 VanDerWaalsContact CG2-CB 3.47Å; K265-A269 PolarHBondContact O-N 3.44Å; L266-A269 PolarHBondContact O-N 3.24Å; A269-K271 PolarHBondContact O-N 3.35Å; A269-Y272 PolarHBondContact O-N 3.33Å; A269-M273 WeakPolarHBondContact O-CG 3.46Å; A269-M273 PolarHBondContact O-N 3.31Å |
| 270 | V | 88.2 | Confident | 86.6 | Confident | 62 Ų | 62 | 72.3 Ų | 72.3 | 38% | 0.376 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 172.7 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | L266 M273 A274 | L266-V270 HydrophobicContact CD1-CG2 4.28Å; L266-V270 WeakPolarHBondContact O-CB 3.41Å; L266-V270 VanDerWaalsContact O-CG2 3.23Å; L266-V270 WeakPolarHBondContact O-CG2 3.16Å; L266-V270 PolarHBondContact O-N 3.32Å; V270-M273 HydrophobicContact CB-CE 4.5Å; V270-M273 HydrophobicContact CG2-CE 4.06Å; V270-M273 PolarHBondContact O-N 3.26Å; V270-A274 WeakPolarHBondContact O-CB 3.4Å; V270-A274 PolarHBondContact O-N 3.44Å |
| 271 | K | 90.7 | Very high | 87.8 | Confident | 128 Ų | 128 | 73.5 Ų | 73.5 | 56% | 0.557 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.1 | -46.1 | 174.4 | -77.7 | 169 | 178.3 | 175.9 | 0 | 111.9 | L267 S268 A269 A274 L275 | L267-K271 HydrophobicContact CG-CD 4.25Å; L267-K271 WeakPolarHBondContact O-CB 3.22Å; L267-K271 WeakPolarHBondContact O-CG 3.28Å; L267-K271 PolarHBondContact O-N 3.3Å; S268-K271 WeakPolarHBondContact O-CB 3.28Å; S268-K271 PolarHBondContact O-N 3.37Å; A269-K271 PolarHBondContact O-N 3.35Å; K271-A274 PolarHBondContact O-N 3.02Å; K271-L275 WeakPolarHBondContact O-CB 3.46Å; K271-L275 PolarHBondContact O-N 3.43Å |
| 272 | Y | 90.8 | Very high | 88.9 | Confident | 125 Ų | 125 | 73.2 Ų | 73.2 | 49% | 0.49 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 176.9 | -69.7 | -60.4 | 0 | 0 | 0 | 112.1 | Y249 S268 A269 A274 L275 L276 | Y249-Y272 AromaticContact CE1-CD2 3.98Å; Y249-Y272 HydrophobicContact CE1-CD2 3.98Å; Y249-Y272 HydrophobicContact CE1-CG 4.1Å; S268-Y272 WeakPolarHBondContact O-CD2 3.31Å; S268-Y272 PolarHBondContact O-N 2.68Å; A269-Y272 PolarHBondContact O-N 3.33Å; Y272-A274 PolarHBondContact O-N 2.92Å; Y272-L275 PolarHBondContact O-N 3.18Å; Y272-L276 WeakPolarHBondContact O-CB 3.3Å; Y272-L276 VanDerWaalsContact O-CG 3.27Å; Y272-L276 WeakPolarHBondContact O-CG 3.43Å; Y272-L276 PolarHBondContact O-N 2.96Å |
| 273 | M | 89.8 | Confident | 89.9 | Confident | 36 Ų | 36 | 74 Ų | 74 | 18% | 0.177 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 174.4 | -72.4 | -166.7 | -52.7 | 0 | 0 | 112.3 | Y249 V253 A269 V270 L276 S277 | Y249-M273 VanDerWaalsContact CB-CG 3.42Å; Y249-M273 HydrophobicContact CG-CG 4.38Å; V253-M273 HydrophobicContact CB-CE 4.36Å; V253-M273 HydrophobicContact CG1-CE 4.45Å; V253-M273 HydrophobicContact CG2-CE 3.56Å; V253-M273 HydrophobicContact CG2-SD 4.01Å; A269-M273 WeakPolarHBondContact O-CG 3.46Å; A269-M273 PolarHBondContact O-N 3.31Å; V270-M273 HydrophobicContact CB-CE 4.5Å; V270-M273 HydrophobicContact CG2-CE 4.06Å; V270-M273 PolarHBondContact O-N 3.26Å; M273-L276 PolarHBondContact O-N 2.88Å; M273-S277 VanDerWaalsContact O-CB 3.23Å; M273-S277 WeakPolarHBondContact O-CB 3.47Å; M273-S277 PolarHBondContact O-N 2.95Å; M273-S277 PolarHBondContact O-OG 2.85Å |
| 274 | A | 92 | Very high | 90.6 | Very high | 59 Ų | 59 | 68.7 Ų | 68.7 | 49% | 0.488 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V270 K271 Y272 S277 L278 | V270-A274 WeakPolarHBondContact O-CB 3.4Å; V270-A274 PolarHBondContact O-N 3.44Å; K271-A274 PolarHBondContact O-N 3.02Å; Y272-A274 PolarHBondContact O-N 2.92Å; A274-S277 PolarHBondContact O-N 2.99Å; A274-L278 WeakPolarHBondContact O-CB 3.24Å; A274-L278 PolarHBondContact O-N 3.29Å |
| 275 | L | 94.2 | Very high | 91.1 | Very high | 115 Ų | 115 | 63.2 Ų | 63.2 | 60% | 0.602 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63 | -45.7 | 177.1 | -172.7 | 72.4 | 0 | 0 | 0 | 111.8 | K271 Y272 L278 A279 | K271-L275 WeakPolarHBondContact O-CB 3.46Å; K271-L275 PolarHBondContact O-N 3.43Å; Y272-L275 PolarHBondContact O-N 3.18Å; L275-L278 PolarHBondContact O-N 3.22Å; L275-A279 VanDerWaalsContact O-CB 3.27Å; L275-A279 WeakPolarHBondContact O-CB 3.49Å; L275-A279 PolarHBondContact O-N 3.28Å |
| 276 | L | 93.8 | Very high | 91.9 | Very high | 31 Ų | 31 | 64.2 Ų | 64.2 | 16% | 0.162 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.4 | -36.9 | 177.9 | -72.1 | 169.9 | 0 | 0 | 0 | 112.3 | F245 I246 Y249 Y272 M273 S280 | F245-L276 HydrophobicContact CB-CD1 3.85Å; I246-L276 HydrophobicContact CG1-CB 4.37Å; Y249-L276 HydrophobicContact CD2-CD1 3.53Å; Y249-L276 HydrophobicContact CE2-CD1 3.54Å; Y272-L276 WeakPolarHBondContact O-CB 3.3Å; Y272-L276 VanDerWaalsContact O-CG 3.27Å; Y272-L276 WeakPolarHBondContact O-CG 3.43Å; Y272-L276 PolarHBondContact O-N 2.96Å; M273-L276 PolarHBondContact O-N 2.88Å; L276-S280 VanDerWaalsContact O-CB 3.24Å; L276-S280 WeakPolarHBondContact O-CB 3.31Å; L276-S280 PolarHBondContact O-N 3.43Å; L276-S280 PolarHBondContact O-OG 2.88Å |
| 277 | S | 93 | Very high | 92.4 | Very high | 47 Ų | 47 | 62.9 Ų | 62.9 | 33% | 0.329 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.1 | -41.4 | 176.4 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | M273 A274 S280 S281 | M273-S277 VanDerWaalsContact O-CB 3.23Å; M273-S277 WeakPolarHBondContact O-CB 3.47Å; M273-S277 PolarHBondContact O-N 2.95Å; M273-S277 PolarHBondContact O-OG 2.85Å; A274-S277 PolarHBondContact O-N 2.99Å; S277-S280 WeakPolarHBondContact CA-OG 3.35Å; S277-S280 PolarHBondContact O-OG 3.3Å; S277-S281 WeakPolarHBondContact O-CB 3.46Å; S277-S281 PolarHBondContact O-N 3.45Å; S277-S281 PolarHBondContact O-OG 2.91Å |
| 278 | L | 95 | Very high | 92.7 | Very high | 108 Ų | 108 | 61.8 Ų | 61.8 | 57% | 0.565 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -65.8 | -47.9 | 174.8 | -175.5 | 66.1 | 0 | 0 | 0 | 111.3 | A274 L275 S281 L282 | A274-L278 WeakPolarHBondContact O-CB 3.24Å; A274-L278 PolarHBondContact O-N 3.29Å; L275-L278 PolarHBondContact O-N 3.22Å; L278-S281 PolarHBondContact O-N 2.9Å; L278-L282 HydrophobicContact CG-CD1 4.32Å; L278-L282 WeakPolarHBondContact O-CG 3.5Å; L278-L282 PolarHBondContact O-N 3.32Å |
| 279 | A | 94.7 | Very high | 93.1 | Very high | 25 Ų | 25 | 61.5 Ų | 61.5 | 21% | 0.207 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61 | -47.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L275 S281 L282 F283 | L275-A279 VanDerWaalsContact O-CB 3.27Å; L275-A279 WeakPolarHBondContact O-CB 3.49Å; L275-A279 PolarHBondContact O-N 3.28Å; A279-S281 VanDerWaalsContact C-N 3.32Å; A279-S281 PolarHBondContact O-N 3.41Å; A279-L282 PolarHBondContact O-N 2.93Å; A279-F283 HydrophobicContact CB-CD2 4.36Å; A279-F283 HydrophobicContact CB-CE2 4.01Å; A279-F283 WeakPolarHBondContact O-CB 3.43Å; A279-F283 WeakPolarHBondContact O-CD2 3.43Å; A279-F283 VanDerWaalsContact O-CG 3.28Å; A279-F283 WeakPolarHBondContact O-CG 3.48Å; A279-F283 PolarHBondContact O-N 3.45Å |
| 280 | S | 93.9 | Very high | 93.5 | Very high | 9 Ų | 9 | 62.1 Ų | 62.1 | 6% | 0.063 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 175.9 | 59.2 | 0 | 0 | 0 | 0 | 111.9 | Y239 L276 S277 A284 | Y239-S280 WeakPolarHBondContact CD2-O 3.28Å; L276-S280 VanDerWaalsContact O-CB 3.24Å; L276-S280 WeakPolarHBondContact O-CB 3.31Å; L276-S280 PolarHBondContact O-N 3.43Å; L276-S280 PolarHBondContact O-OG 2.88Å; S277-S280 WeakPolarHBondContact CA-OG 3.35Å; S277-S280 PolarHBondContact O-OG 3.3Å; S280-A284 WeakPolarHBondContact O-CB 3.37Å; S280-A284 PolarHBondContact O-N 3.32Å |
| 281 | S | 94.7 | Very high | 93.7 | Very high | 78 Ų | 78 | 59.8 Ų | 59.8 | 55% | 0.545 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 175.5 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | S277 L278 A279 A284 G285 | S277-S281 WeakPolarHBondContact O-CB 3.46Å; S277-S281 PolarHBondContact O-N 3.45Å; S277-S281 PolarHBondContact O-OG 2.91Å; L278-S281 PolarHBondContact O-N 2.9Å; A279-S281 VanDerWaalsContact C-N 3.32Å; A279-S281 PolarHBondContact O-N 3.41Å; S281-A284 WeakPolarHBondContact O-CB 3.5Å; S281-A284 PolarHBondContact O-N 2.98Å; S281-G285 PolarHBondContact O-N 3.43Å |
| 282 | L | 96.1 | Very high | 93.8 | Very high | 96 Ų | 96 | 58.7 Ų | 58.7 | 50% | 0.503 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.6 | -50.5 | 176.2 | -71.8 | 170.9 | 0 | 0 | 0 | 111.7 | L278 A279 A284 G285 F286 | L278-L282 HydrophobicContact CG-CD1 4.32Å; L278-L282 WeakPolarHBondContact O-CG 3.5Å; L278-L282 PolarHBondContact O-N 3.32Å; A279-L282 PolarHBondContact O-N 2.93Å; L282-A284 VanDerWaalsContact C-N 3.27Å; L282-A284 PolarHBondContact O-N 2.92Å; L282-G285 PolarHBondContact O-N 2.98Å; L282-G285 VanDerWaalsContact O-N 3.14Å; L282-F286 VanDerWaalsContact O-CD2 3.25Å; L282-F286 WeakPolarHBondContact O-CD2 3.42Å; L282-F286 PolarHBondContact O-N 3.45Å |
| 283 | F | 96.5 | Very high | 93.9 | Very high | 51 Ų | 51 | 57.9 Ų | 57.9 | 22% | 0.224 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.4 | -33 | 177.8 | -62.5 | -42.2 | 0 | 0 | 0 | 112.1 | F235 L238 A279 R287 | F235-F283 AromaticContact CD1-CD1 3.91Å; F235-F283 HydrophobicContact CD1-CD1 3.91Å; F235-F283 HydrophobicContact CE1-CD1 4.39Å; L238-F283 HydrophobicContact CB-CB 4.44Å; L238-F283 HydrophobicContact CB-CD1 4.06Å; L238-F283 HydrophobicContact CB-CD2 3.67Å; L238-F283 HydrophobicContact CB-CE1 4.2Å; L238-F283 HydrophobicContact CB-CE2 3.82Å; L238-F283 HydrophobicContact CB-CG 3.81Å; L238-F283 HydrophobicContact CB-CZ 4.09Å; L238-F283 HydrophobicContact CD1-CD1 4.16Å; L238-F283 HydrophobicContact CD1-CE1 3.8Å; L238-F283 HydrophobicContact CD1-CZ 4.06Å; L238-F283 HydrophobicContact CG-CZ 4.49Å; A279-F283 HydrophobicContact CB-CD2 4.36Å; A279-F283 HydrophobicContact CB-CE2 4.01Å; A279-F283 WeakPolarHBondContact O-CB 3.43Å; A279-F283 WeakPolarHBondContact O-CD2 3.43Å; A279-F283 VanDerWaalsContact O-CG 3.28Å; A279-F283 WeakPolarHBondContact O-CG 3.48Å; A279-F283 PolarHBondContact O-N 3.45Å; F283-R287 WeakPolarHBondContact O-CB 3.4Å; F283-R287 PolarHBondContact O-N 3.21Å |
| 284 | A | 94.4 | Very high | 94 | Very high | 21 Ų | 21 | 56.2 Ų | 56.2 | 17% | 0.174 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y239 S280 S281 L282 T288 | Y239-A284 HydrophobicContact CD2-CB 3.76Å; Y239-A284 HydrophobicContact CE2-CB 3.73Å; S280-A284 WeakPolarHBondContact O-CB 3.37Å; S280-A284 PolarHBondContact O-N 3.32Å; S281-A284 WeakPolarHBondContact O-CB 3.5Å; S281-A284 PolarHBondContact O-N 2.98Å; L282-A284 VanDerWaalsContact C-N 3.27Å; L282-A284 PolarHBondContact O-N 2.92Å; A284-T288 VanDerWaalsContact O-CB 3.3Å; A284-T288 WeakPolarHBondContact O-CB 3.33Å; A284-T288 PolarHBondContact O-N 3.4Å; A284-T288 PolarHBondContact O-OG1 3.24Å |
| 285 | G | 95.4 | Very high | 93.9 | Very high | 47 Ų | 47 | 53.9 Ų | 53.9 | 49% | 0.485 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.7 | -55.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S281 L282 R287 T288 G289 | S281-G285 PolarHBondContact O-N 3.43Å; L282-G285 PolarHBondContact O-N 2.98Å; L282-G285 VanDerWaalsContact O-N 3.14Å; G285-R287 PolarHBondContact O-N 2.91Å; G285-T288 PolarHBondContact O-N 3.14Å; G285-G289 PolarHBondContact O-N 3.35Å |
| 286 | F | 96.3 | Very high | 93.8 | Very high | 117 Ų | 117 | 51.8 Ų | 51.8 | 51% | 0.513 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 178.8 | -72.4 | -63.4 | 0 | 0 | 0 | 112.7 | F235 L282 T288 G289 C290 | F235-F286 HydrophobicContact CB-CB 4.39Å; F235-F286 HydrophobicContact CD1-CB 3.79Å; F235-F286 HydrophobicContact CD1-CG 4.45Å; F235-F286 HydrophobicContact CD2-CB 3.7Å; F235-F286 HydrophobicContact CE1-CB 3.89Å; F235-F286 HydrophobicContact CE1-CD2 4.2Å; F235-F286 HydrophobicContact CE1-CG 4.12Å; F235-F286 HydrophobicContact CE2-CB 3.8Å; F235-F286 HydrophobicContact CE2-CG 4.39Å; F235-F286 HydrophobicContact CG-CB 3.7Å; F235-F286 HydrophobicContact CZ-CB 3.89Å; F235-F286 HydrophobicContact CZ-CD1 4.49Å; F235-F286 HydrophobicContact CZ-CG 4.08Å; L282-F286 VanDerWaalsContact O-CD2 3.25Å; L282-F286 WeakPolarHBondContact O-CD2 3.42Å; L282-F286 PolarHBondContact O-N 3.45Å; F286-T288 VanDerWaalsContact C-N 3.35Å; F286-T288 PolarHBondContact O-N 3.18Å; F286-G289 PolarHBondContact O-N 2.71Å; F286-C290 WeakPolarHBondContact O-CB 3.5Å; F286-C290 PolarHBondContact O-N 3.11Å; F286-C290 PolarHBondContact O-SG 3.23Å |
| 287 | R | 93.7 | Very high | 93.8 | Very high | 23 Ų | 23 | 53 Ų | 53 | 9% | 0.087 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.7 | -52.9 | 173.9 | 177.7 | -166.7 | 71.7 | 129.2 | -1.8 | 110.9 | F235 L236 F283 G285 G289 C290 F291 N346 | F235-R287 HydrophobicContact CB-CB 3.81Å; L236-R287 HydrophobicContact CB-CG 3.89Å; F283-R287 WeakPolarHBondContact O-CB 3.4Å; F283-R287 PolarHBondContact O-N 3.21Å; G285-R287 PolarHBondContact O-N 2.91Å; R287-G289 PolarHBondContact O-N 3.49Å; R287-C290 PolarHBondContact O-N 3.2Å; R287-F291 HydrophobicContact CG-CD2 3.74Å; R287-F291 HydrophobicContact CG-CE2 3.77Å; R287-F291 VanDerWaalsContact O-CD2 3.25Å; R287-F291 WeakPolarHBondContact O-CD2 3.43Å; R287-F291 PolarHBondContact O-N 3.16Å; R287-N346 PolarHBondContact NH1-OD1 3.3Å |
| 288 | T | 92.8 | Very high | 93.8 | Very high | 68 Ų | 68 | 50.9 Ų | 50.9 | 42% | 0.417 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | -175.9 | -53.6 | 0 | 0 | 0 | 0 | 110.4 | A284 G285 F286 F291 E292 | A284-T288 VanDerWaalsContact O-CB 3.3Å; A284-T288 WeakPolarHBondContact O-CB 3.33Å; A284-T288 PolarHBondContact O-N 3.4Å; A284-T288 PolarHBondContact O-OG1 3.24Å; G285-T288 PolarHBondContact O-N 3.14Å; F286-T288 VanDerWaalsContact C-N 3.35Å; F286-T288 PolarHBondContact O-N 3.18Å; T288-F291 PolarHBondContact O-N 3.07Å; T288-E292 WeakPolarHBondContact O-CB 3.47Å; T288-E292 PolarHBondContact O-N 3.17Å |
| 289 | G | 93.9 | Very high | 93.7 | Very high | 44 Ų | 44 | 46 Ų | 46 | 45% | 0.454 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G285 F286 R287 E292 Y293 | G285-G289 PolarHBondContact O-N 3.35Å; F286-G289 PolarHBondContact O-N 2.71Å; R287-G289 PolarHBondContact O-N 3.49Å; G289-E292 PolarHBondContact O-N 2.9Å; G289-Y293 WeakPolarHBondContact O-CB 3.3Å; G289-Y293 PolarHBondContact O-N 3.37Å |
| 290 | C | 94.3 | Very high | 93.7 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 10% | 0.095 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 177.6 | -70.3 | 0 | 0 | 0 | 0 | 112.3 | F286 R287 G294 | F286-C290 WeakPolarHBondContact O-CB 3.5Å; F286-C290 PolarHBondContact O-N 3.11Å; F286-C290 PolarHBondContact O-SG 3.23Å; R287-C290 PolarHBondContact O-N 3.2Å; C290-G294 PolarHBondContact O-N 2.95Å |
| 291 | F | 92.3 | Very high | 93.8 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 177.7 | -82.1 | -70 | 0 | 0 | 0 | 112 | Y229 G232 L236 R287 T288 G294 F295 | Y229-F291 AromaticContact CD1-CD1 3.88Å; Y229-F291 HydrophobicContact CD1-CD1 3.88Å; Y229-F291 AromaticContact CD1-CE1 3.83Å; Y229-F291 HydrophobicContact CD1-CE1 3.83Å; Y229-F291 HydrophobicContact CE1-CD1 4.09Å; Y229-F291 HydrophobicContact CE1-CE1 4.39Å; G232-F291 VanDerWaalsContact C-CE2 3.46Å; G232-F291 WeakPolarHBondContact O-CE2 3.42Å; L236-F291 HydrophobicContact CB-CE2 4.27Å; L236-F291 HydrophobicContact CD1-CE2 3.88Å; L236-F291 HydrophobicContact CD1-CZ 4.07Å; R287-F291 HydrophobicContact CG-CD2 3.74Å; R287-F291 HydrophobicContact CG-CE2 3.77Å; R287-F291 VanDerWaalsContact O-CD2 3.25Å; R287-F291 WeakPolarHBondContact O-CD2 3.43Å; R287-F291 PolarHBondContact O-N 3.16Å; T288-F291 PolarHBondContact O-N 3.07Å; F291-G294 PolarHBondContact O-N 3.07Å; F291-F295 VanDerWaalsContact O-CB 3.23Å; F291-F295 WeakPolarHBondContact O-CB 3.41Å; F291-F295 PolarHBondContact O-N 3.49Å |
| 292 | E | 91.8 | Very high | 93.8 | Very high | 105 Ų | 105 | 47.7 Ų | 47.7 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 178.7 | -174.4 | 65.5 | -165 | 0 | 0 | 111.4 | T288 G289 F295 I296 | T288-E292 WeakPolarHBondContact O-CB 3.47Å; T288-E292 PolarHBondContact O-N 3.17Å; G289-E292 PolarHBondContact O-N 2.9Å; E292-F295 WeakPolarHBondContact O-CB 3.4Å; E292-F295 WeakPolarHBondContact O-CD1 3.27Å; E292-F295 PolarHBondContact O-N 3.06Å; E292-I296 HydrophobicContact CG-CD1 4.4Å; E292-I296 WeakPolarHBondContact O-CG1 3.08Å; E292-I296 PolarHBondContact O-N 3.04Å |
| 293 | Y | 93 | Very high | 93.7 | Very high | 108 Ų | 108 | 46.5 Ų | 46.5 | 42% | 0.424 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68 | -41.7 | 179.4 | -171.6 | -104.8 | 0 | 0 | 0 | 112.4 | W228 G289 F295 I296 K297 | W228-Y293 AromaticContact CD2-CD1 3.65Å; W228-Y293 HydrophobicContact CD2-CD1 3.65Å; W228-Y293 HydrophobicContact CD2-CE1 4.18Å; W228-Y293 AromaticContact CE2-CD1 3.49Å; W228-Y293 VanDerWaalsContact CE2-CD1 3.49Å; W228-Y293 AromaticContact CE2-CE1 3.51Å; W228-Y293 HydrophobicContact CE3-CD1 4Å; W228-Y293 HydrophobicContact CG-CD1 4.17Å; W228-Y293 HydrophobicContact CH2-CD1 4.04Å; W228-Y293 HydrophobicContact CH2-CE1 4.09Å; W228-Y293 AromaticContact CZ2-CD1 3.71Å; W228-Y293 HydrophobicContact CZ2-CD1 3.71Å; W228-Y293 AromaticContact CZ2-CE1 3.47Å; W228-Y293 HydrophobicContact CZ2-CE1 3.47Å; W228-Y293 VanDerWaalsContact CZ2-CE1 3.47Å; W228-Y293 HydrophobicContact CZ3-CD1 4.18Å; W228-Y293 AromaticContact NE1-CD1 3.93Å; W228-Y293 AromaticContact NE1-CE1 3.8Å; G289-Y293 WeakPolarHBondContact O-CB 3.3Å; G289-Y293 PolarHBondContact O-N 3.37Å; Y293-F295 VanDerWaalsContact C-N 3.25Å; Y293-F295 PolarHBondContact O-N 3.47Å; Y293-I296 PolarHBondContact O-N 3.48Å; Y293-K297 HydrophobicContact CE1-CD 3.99Å; Y293-K297 VanDerWaalsContact CE1-CE 3.42Å; Y293-K297 HydrophobicContact CE1-CG 4.4Å; Y293-K297 PolarHBondContact O-N 2.72Å; Y293-K297 VanDerWaalsContact O-N 3.17Å; Y293-K297 WeakPolarHBondContact OH-CE 3.44Å |
| 294 | G | 92.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.8 | -36.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | C290 F291 V298 | C290-G294 PolarHBondContact O-N 2.95Å; F291-G294 PolarHBondContact O-N 3.07Å; G294-V298 WeakPolarHBondContact O-CG2 3.43Å; G294-V298 PolarHBondContact O-N 3.33Å; G294-V298 VanDerWaalsContact O-N 3.16Å |
| 295 | F | 90.3 | Very high | 93.8 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 4% | 0.044 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.8 | -51.9 | 174.1 | 151.7 | -100 | 0 | 0 | 0 | 111.8 | F291 E292 Y293 K297 V298 N299 Q335 S338 D339 A342 | F291-F295 VanDerWaalsContact O-CB 3.23Å; F291-F295 WeakPolarHBondContact O-CB 3.41Å; F291-F295 PolarHBondContact O-N 3.49Å; E292-F295 WeakPolarHBondContact O-CB 3.4Å; E292-F295 WeakPolarHBondContact O-CD1 3.27Å; E292-F295 PolarHBondContact O-N 3.06Å; Y293-F295 VanDerWaalsContact C-N 3.25Å; Y293-F295 PolarHBondContact O-N 3.47Å; F295-K297 VanDerWaalsContact C-N 3.25Å; F295-K297 PolarHBondContact O-N 3.03Å; F295-V298 PolarHBondContact O-N 2.99Å; F295-N299 HydrophobicContact CE2-CB 4.13Å; F295-N299 HydrophobicContact CZ-CB 4.12Å; F295-N299 PolarHBondContact O-N 3.32Å; F295-Q335 VanDerWaalsContact CZ-NE2 3.27Å; F295-S338 VanDerWaalsContact CD2-C 3.49Å; F295-S338 WeakPolarHBondContact CD2-O 3.28Å; F295-S338 VanDerWaalsContact CE2-C 3.43Å; F295-D339 VanDerWaalsContact CE1-OD1 3.29Å; F295-D339 WeakPolarHBondContact CE1-OD1 3.19Å; F295-D339 HydrophobicContact CE2-CB 4.25Å; F295-D339 VanDerWaalsContact CE2-N 3.33Å; F295-D339 WeakPolarHBondContact CE2-OD1 3.5Å; F295-D339 WeakPolarHBondContact CZ-OD1 3.49Å; F295-A342 HydrophobicContact CB-CB 4.2Å; F295-A342 HydrophobicContact CD2-CB 4.5Å |
| 296 | I | 92.7 | Very high | 93.8 | Very high | 71 Ų | 71 | 47.4 Ų | 47.4 | 36% | 0.364 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.9 | -42.5 | -179.1 | -70.1 | 168.2 | 0 | 0 | 0 | 110.5 | E292 Y293 N299 L300 | E292-I296 HydrophobicContact CG-CD1 4.4Å; E292-I296 WeakPolarHBondContact O-CG1 3.08Å; E292-I296 PolarHBondContact O-N 3.04Å; Y293-I296 PolarHBondContact O-N 3.48Å; I296-N299 WeakPolarHBondContact O-CB 3.47Å; I296-N299 PolarHBondContact O-N 3.08Å; I296-L300 HydrophobicContact CG2-CD1 4.07Å; I296-L300 HydrophobicContact CG2-CG 4.44Å; I296-L300 WeakPolarHBondContact O-CG 3.29Å; I296-L300 PolarHBondContact O-N 3.31Å |
| 297 | K | 93.6 | Very high | 93.9 | Very high | 57 Ų | 57 | 46.8 Ų | 46.8 | 25% | 0.248 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.7 | -44.8 | 176.5 | -76.4 | -167.4 | 165.5 | -170.7 | 0 | 113.1 | E225 Y293 F295 N299 L300 L301 | E225-K297 VanDerWaalsContact CD-CD 3.47Å; E225-K297 HydrophobicContact CG-CB 3.89Å; E225-K297 HydrophobicContact CG-CD 4.27Å; E225-K297 WeakPolarHBondContact OE2-CD 3.25Å; E225-K297 IonicContact OE2-NZ 3.99Å; E225-K297 PolarHBondContact OE2-NZ 2.92Å; Y293-K297 HydrophobicContact CE1-CD 3.99Å; Y293-K297 VanDerWaalsContact CE1-CE 3.42Å; Y293-K297 HydrophobicContact CE1-CG 4.4Å; Y293-K297 PolarHBondContact O-N 2.72Å; Y293-K297 VanDerWaalsContact O-N 3.17Å; Y293-K297 WeakPolarHBondContact OH-CE 3.44Å; F295-K297 VanDerWaalsContact C-N 3.25Å; F295-K297 PolarHBondContact O-N 3.03Å; K297-N299 VanDerWaalsContact C-N 3.29Å; K297-N299 PolarHBondContact O-N 3.27Å; K297-L300 PolarHBondContact O-N 3.44Å; K297-L301 VanDerWaalsContact O-CG 3.31Å; K297-L301 WeakPolarHBondContact O-CG 3.27Å; K297-L301 PolarHBondContact O-N 3Å |
| 298 | V | 92.7 | Very high | 94 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 175.7 | 166 | 0 | 0 | 0 | 0 | 111.1 | E225 Y229 G294 F295 L301 I302 | E225-V298 HydrophobicContact CB-CG2 4.49Å; E225-V298 HydrophobicContact CG-CG2 4.32Å; Y229-V298 HydrophobicContact CE2-CG2 4.06Å; G294-V298 WeakPolarHBondContact O-CG2 3.43Å; G294-V298 PolarHBondContact O-N 3.33Å; G294-V298 VanDerWaalsContact O-N 3.16Å; F295-V298 PolarHBondContact O-N 2.99Å; V298-L301 PolarHBondContact O-N 2.87Å; V298-I302 HydrophobicContact CG1-CD1 3.71Å; V298-I302 WeakPolarHBondContact O-CG1 3.33Å; V298-I302 PolarHBondContact O-N 2.69Å |
| 299 | N | 93.1 | Very high | 94.1 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.027 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.9 | -46.8 | 176 | -179 | -96.6 | 0 | 0 | 0 | 112.4 | F295 I296 K297 L301 I302 R303 C334 Q335 S338 | F295-N299 HydrophobicContact CE2-CB 4.13Å; F295-N299 HydrophobicContact CZ-CB 4.12Å; F295-N299 PolarHBondContact O-N 3.32Å; I296-N299 WeakPolarHBondContact O-CB 3.47Å; I296-N299 PolarHBondContact O-N 3.08Å; K297-N299 VanDerWaalsContact C-N 3.29Å; K297-N299 PolarHBondContact O-N 3.27Å; N299-L301 VanDerWaalsContact C-N 3.33Å; N299-L301 PolarHBondContact O-N 3.04Å; N299-I302 PolarHBondContact O-N 3.5Å; N299-R303 WeakPolarHBondContact O-CB 3.32Å; N299-R303 WeakPolarHBondContact O-CG 3.46Å; N299-R303 PolarHBondContact O-N 2.93Å; N299-R303 WeakPolarHBondContact OD1-CD 3.41Å; N299-R303 PolarHBondContact OD1-NE 3.23Å; N299-R303 PolarHBondContact OD1-NH1 3.43Å; N299-C334 VanDerWaalsContact ND2-C 3.34Å; N299-C334 PolarHBondContact ND2-O 3.28Å; N299-C334 VanDerWaalsContact ND2-O 3.13Å; N299-Q335 VanDerWaalsContact ND2-CA 3.33Å; N299-Q335 WeakPolarHBondContact ND2-CA 3.49Å; N299-Q335 PolarHBondContact ND2-N 2.8Å; N299-S338 WeakPolarHBondContact CA-OG 3.29Å |
| 300 | L | 94.4 | Very high | 94.2 | Very high | 94 Ų | 94 | 43.7 Ų | 43.7 | 49% | 0.492 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.4 | -40.6 | 177 | -69.7 | 172.4 | 0 | 0 | 0 | 112.1 | I296 K297 R303 T304 | I296-L300 HydrophobicContact CG2-CD1 4.07Å; I296-L300 HydrophobicContact CG2-CG 4.44Å; I296-L300 WeakPolarHBondContact O-CG 3.29Å; I296-L300 PolarHBondContact O-N 3.31Å; K297-L300 PolarHBondContact O-N 3.44Å; L300-R303 PolarHBondContact O-N 3.32Å; L300-T304 WeakPolarHBondContact O-CB 3.28Å; L300-T304 PolarHBondContact O-N 2.93Å; L300-T304 PolarHBondContact O-OG1 3.29Å |
| 301 | L | 94.6 | Very high | 94.2 | Very high | 52 Ų | 52 | 48.8 Ų | 48.8 | 27% | 0.272 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62 | -46.9 | 175.9 | -72.8 | 172 | 0 | 0 | 0 | 111.6 | Y221 K224 E225 K297 V298 N299 T304 D305 | Y221-L301 HydrophobicContact CD1-CB 4.37Å; K224-L301 HydrophobicContact CB-CD1 4.44Å; K224-L301 HydrophobicContact CD-CD1 4.37Å; E225-L301 HydrophobicContact CG-CD1 4.25Å; K297-L301 VanDerWaalsContact O-CG 3.31Å; K297-L301 WeakPolarHBondContact O-CG 3.27Å; K297-L301 PolarHBondContact O-N 3Å; V298-L301 PolarHBondContact O-N 2.87Å; N299-L301 VanDerWaalsContact C-N 3.33Å; N299-L301 PolarHBondContact O-N 3.04Å; L301-T304 PolarHBondContact O-N 2.96Å; L301-D305 PolarHBondContact O-N 3.31Å |
| 302 | I | 94.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 179 | -68.2 | 162.3 | 0 | 0 | 0 | 111 | Y221 V298 N299 T304 D305 L306 C334 M337 S338 V533 | Y221-I302 HydrophobicContact CD1-CD1 4.28Å; Y221-I302 HydrophobicContact CD1-CG1 3.53Å; Y221-I302 HydrophobicContact CD2-CG1 4.3Å; Y221-I302 HydrophobicContact CE1-CG1 3.67Å; Y221-I302 HydrophobicContact CE2-CG1 4.44Å; Y221-I302 HydrophobicContact CG-CD1 4.18Å; Y221-I302 HydrophobicContact CG-CG1 3.87Å; V298-I302 HydrophobicContact CG1-CD1 3.71Å; V298-I302 WeakPolarHBondContact O-CG1 3.33Å; V298-I302 PolarHBondContact O-N 2.69Å; N299-I302 PolarHBondContact O-N 3.5Å; I302-T304 VanDerWaalsContact C-N 3.32Å; I302-T304 PolarHBondContact O-N 3.13Å; I302-D305 PolarHBondContact O-N 3.25Å; I302-L306 WeakPolarHBondContact O-CB 3.42Å; I302-L306 PolarHBondContact O-N 2.81Å; I302-C334 HydrophobicContact CG2-CB 4.38Å; I302-M337 HydrophobicContact CD1-CE 3.69Å; I302-M337 HydrophobicContact CD1-SD 4.31Å; I302-M337 HydrophobicContact CG1-CE 4.38Å; I302-M337 HydrophobicContact CG2-CE 4.47Å; I302-M337 HydrophobicContact CG2-SD 4.29Å; I302-S338 WeakPolarHBondContact CD1-OG 3.47Å; I302-V533 HydrophobicContact CG2-CG1 3.92Å |
| 303 | R | 95.8 | Very high | 94.3 | Very high | 71 Ų | 71 | 52.8 Ų | 52.8 | 27% | 0.268 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 175.9 | -77.4 | -176.9 | 171 | 152 | 8.3 | 112 | N299 L300 L306 F307 L330 S331 C334 | N299-R303 WeakPolarHBondContact O-CB 3.32Å; N299-R303 WeakPolarHBondContact O-CG 3.46Å; N299-R303 PolarHBondContact O-N 2.93Å; N299-R303 WeakPolarHBondContact OD1-CD 3.41Å; N299-R303 PolarHBondContact OD1-NE 3.23Å; N299-R303 PolarHBondContact OD1-NH1 3.43Å; L300-R303 PolarHBondContact O-N 3.32Å; R303-L306 PolarHBondContact O-N 3.42Å; R303-F307 VanDerWaalsContact O-CB 3.29Å; R303-F307 WeakPolarHBondContact O-CB 3.46Å; R303-F307 PolarHBondContact O-N 3.06Å; R303-L330 HydrophobicContact CB-CD1 4.37Å; R303-L330 HydrophobicContact CG-CD1 4.49Å; R303-L330 PolarHBondContact NE-O 3.35Å; R303-L330 VanDerWaalsContact NE-O 3.17Å; R303-S331 PolarHBondContact NH2-O 3.19Å; R303-S331 VanDerWaalsContact NH2-O 3.17Å; R303-C334 HydrophobicContact CG-CB 3.92Å |
| 304 | T | 95.9 | Very high | 94.3 | Very high | 83 Ų | 83 | 48.4 Ų | 48.4 | 51% | 0.509 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.6 | -44.3 | 178.6 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | L300 L301 I302 F307 S308 | L300-T304 WeakPolarHBondContact O-CB 3.28Å; L300-T304 PolarHBondContact O-N 2.93Å; L300-T304 PolarHBondContact O-OG1 3.29Å; L301-T304 PolarHBondContact O-N 2.96Å; I302-T304 VanDerWaalsContact C-N 3.32Å; I302-T304 PolarHBondContact O-N 3.13Å; T304-F307 PolarHBondContact O-N 3.3Å; T304-S308 VanDerWaalsContact O-CB 3.26Å; T304-S308 WeakPolarHBondContact O-CB 3.45Å; T304-S308 PolarHBondContact O-N 2.74Å; T304-S308 PolarHBondContact O-OG 3.2Å |
| 305 | D | 95.9 | Very high | 94.4 | Very high | 54 Ų | 54 | 51.1 Ų | 51.1 | 29% | 0.289 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 176.9 | -75.7 | -5.3 | 0 | 0 | 0 | 111.2 | Y221 L301 I302 S308 S309 | Y221-D305 WeakPolarHBondContact CE1-OD2 3.38Å; Y221-D305 VanDerWaalsContact CZ-OD2 3.3Å; Y221-D305 PolarHBondContact OH-OD2 2.93Å; L301-D305 PolarHBondContact O-N 3.31Å; I302-D305 PolarHBondContact O-N 3.25Å; D305-S308 PolarHBondContact O-N 2.84Å; D305-S309 WeakPolarHBondContact O-CB 3.47Å; D305-S309 PolarHBondContact O-N 3.26Å |
| 306 | L | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.8 | -48.8 | 177 | 176.6 | 61.3 | 0 | 0 | 0 | 111.6 | I302 R303 S308 S309 L310 R329 L330 C334 V533 L536 I537 | I302-L306 WeakPolarHBondContact O-CB 3.42Å; I302-L306 PolarHBondContact O-N 2.81Å; R303-L306 PolarHBondContact O-N 3.42Å; L306-S308 VanDerWaalsContact C-N 3.3Å; L306-S308 PolarHBondContact O-N 3.26Å; L306-S309 PolarHBondContact O-N 2.82Å; L306-S309 VanDerWaalsContact O-N 3.15Å; L306-L310 HydrophobicContact CD1-CD1 4.19Å; L306-L310 HydrophobicContact CD1-CG 4.17Å; L306-L310 HydrophobicContact CG-CD1 3.99Å; L306-L310 HydrophobicContact CG-CG 4.43Å; L306-L310 VanDerWaalsContact O-CG 3.3Å; L306-L310 WeakPolarHBondContact O-CG 3.37Å; L306-L310 PolarHBondContact O-N 3.45Å; L306-R329 HydrophobicContact CD2-CB 4.48Å; L306-L330 HydrophobicContact CB-CD1 4.24Å; L306-L330 HydrophobicContact CD2-CB 4.22Å; L306-L330 HydrophobicContact CD2-CD1 3.84Å; L306-L330 HydrophobicContact CG-CD1 4.07Å; L306-C334 VanDerWaalsContact CD2-SG 3.57Å; L306-V533 HydrophobicContact CD2-CG1 4.39Å; L306-L536 HydrophobicContact CD1-CB 3.49Å; L306-L536 VanDerWaalsContact CD1-CB 3.49Å; L306-L536 HydrophobicContact CD1-CD1 4.15Å; L306-L536 HydrophobicContact CD1-CG 4.49Å; L306-I537 HydrophobicContact CB-CD1 4.24Å; L306-I537 HydrophobicContact CB-CG1 4.03Å; L306-I537 HydrophobicContact CD1-CG1 3.92Å |
| 307 | F | 97.1 | Very high | 94.4 | Very high | 104 Ų | 104 | 48.8 Ų | 48.8 | 46% | 0.456 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 177.7 | -174.4 | -109.4 | 0 | 0 | 0 | 111.7 | R303 T304 S309 L310 L311 L330 | R303-F307 VanDerWaalsContact O-CB 3.29Å; R303-F307 WeakPolarHBondContact O-CB 3.46Å; R303-F307 PolarHBondContact O-N 3.06Å; T304-F307 PolarHBondContact O-N 3.3Å; F307-S309 VanDerWaalsContact C-N 3.31Å; F307-S309 PolarHBondContact O-N 3.38Å; F307-L310 PolarHBondContact O-N 3Å; F307-L311 HydrophobicContact CD1-CD1 3.98Å; F307-L311 HydrophobicContact CD1-CG 4.44Å; F307-L311 HydrophobicContact CE1-CD1 3.51Å; F307-L311 HydrophobicContact CE1-CG 4.11Å; F307-L311 HydrophobicContact CZ-CD1 3.94Å; F307-L311 HydrophobicContact CZ-CD2 4.15Å; F307-L311 HydrophobicContact CZ-CG 4.14Å; F307-L311 WeakPolarHBondContact O-CG 3.45Å; F307-L311 PolarHBondContact O-N 3.02Å; F307-L330 HydrophobicContact CB-CD1 4.28Å; F307-L330 HydrophobicContact CD2-CD2 4.32Å |
| 308 | S | 96.3 | Very high | 94.4 | Very high | 47 Ų | 47 | 50 Ų | 50 | 33% | 0.329 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.8 | -33.9 | 176.2 | -59.1 | 0 | 0 | 0 | 0 | 112.8 | T304 D305 L306 R312 | T304-S308 VanDerWaalsContact O-CB 3.26Å; T304-S308 WeakPolarHBondContact O-CB 3.45Å; T304-S308 PolarHBondContact O-N 2.74Å; T304-S308 PolarHBondContact O-OG 3.2Å; D305-S308 PolarHBondContact O-N 2.84Å; L306-S308 VanDerWaalsContact C-N 3.3Å; L306-S308 PolarHBondContact O-N 3.26Å; S308-R312 WeakPolarHBondContact O-CG 3.45Å |
| 309 | S | 95.2 | Very high | 94.4 | Very high | 16 Ų | 16 | 53.8 Ų | 53.8 | 11% | 0.112 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.1 | -39.4 | 174.7 | -170.4 | 0 | 0 | 0 | 0 | 111.6 | D305 L306 F307 L311 R312 Q313 L536 I537 | D305-S309 WeakPolarHBondContact O-CB 3.47Å; D305-S309 PolarHBondContact O-N 3.26Å; L306-S309 PolarHBondContact O-N 2.82Å; L306-S309 VanDerWaalsContact O-N 3.15Å; F307-S309 VanDerWaalsContact C-N 3.31Å; F307-S309 PolarHBondContact O-N 3.38Å; S309-L311 PolarHBondContact O-N 3.38Å; S309-R312 PolarHBondContact O-N 3.08Å; S309-R312 VanDerWaalsContact O-N 3.16Å; S309-Q313 WeakPolarHBondContact O-CG 3.32Å; S309-Q313 PolarHBondContact O-NE2 2.83Å; S309-L536 PolarHBondContact OG-O 3.01Å; S309-I537 PolarHBondContact OG-O 3.49Å |
| 310 | L | 95.7 | Very high | 94.1 | Very high | 8 Ų | 8 | 56.7 Ų | 56.7 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 176.1 | -72.6 | 167.5 | 0 | 0 | 0 | 112.1 | L306 F307 R312 Q313 F317 F318 I326 | L306-L310 HydrophobicContact CD1-CD1 4.19Å; L306-L310 HydrophobicContact CD1-CG 4.17Å; L306-L310 HydrophobicContact CG-CD1 3.99Å; L306-L310 HydrophobicContact CG-CG 4.43Å; L306-L310 VanDerWaalsContact O-CG 3.3Å; L306-L310 WeakPolarHBondContact O-CG 3.37Å; L306-L310 PolarHBondContact O-N 3.45Å; F307-L310 PolarHBondContact O-N 3Å; L310-R312 PolarHBondContact O-N 3.3Å; L310-Q313 WeakPolarHBondContact O-CB 3.49Å; L310-Q313 PolarHBondContact O-N 3.24Å; L310-Q313 VanDerWaalsContact O-N 3.11Å; L310-F317 HydrophobicContact CD2-CE1 3.9Å; L310-F317 HydrophobicContact CD2-CZ 4.29Å; L310-F318 WeakPolarHBondContact O-CZ 3.45Å; L310-I326 HydrophobicContact CD1-CG2 3.53Å; L310-I326 HydrophobicContact CD2-CG2 3.92Å; L310-I326 HydrophobicContact CG-CG2 4.37Å |
| 311 | L | 94 | Very high | 93.9 | Very high | 121 Ų | 121 | 54 Ų | 54 | 63% | 0.634 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -16.6 | 177.7 | -71.6 | -180 | 0 | 0 | 0 | 114.2 | F307 S309 | F307-L311 HydrophobicContact CD1-CD1 3.98Å; F307-L311 HydrophobicContact CD1-CG 4.44Å; F307-L311 HydrophobicContact CE1-CD1 3.51Å; F307-L311 HydrophobicContact CE1-CG 4.11Å; F307-L311 HydrophobicContact CZ-CD1 3.94Å; F307-L311 HydrophobicContact CZ-CD2 4.15Å; F307-L311 HydrophobicContact CZ-CG 4.14Å; F307-L311 WeakPolarHBondContact O-CG 3.45Å; F307-L311 PolarHBondContact O-N 3.02Å; S309-L311 PolarHBondContact O-N 3.38Å |
| 312 | R | 92.6 | Very high | 93.7 | Very high | 187 Ų | 187 | 55 Ų | 55 | 71% | 0.706 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -4.5 | 176.4 | -64.4 | 176 | -160.2 | -98.7 | 2.8 | 113.1 | S308 S309 L310 P541 | S308-R312 WeakPolarHBondContact O-CG 3.45Å; S309-R312 PolarHBondContact O-N 3.08Å; S309-R312 VanDerWaalsContact O-N 3.16Å; L310-R312 PolarHBondContact O-N 3.3Å; R312-P541 WeakPolarHBondContact O-CB 3.29Å |
| 313 | Q | 94 | Very high | 93.6 | Very high | 16 Ų | 16 | 59.8 Ų | 59.8 | 8% | 0.075 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -77.3 | 146.2 | 179.7 | -55.2 | -56.7 | -43.4 | 0 | 0 | 110.6 | S309 L310 F317 F318 R539 | S309-Q313 WeakPolarHBondContact O-CG 3.32Å; S309-Q313 PolarHBondContact O-NE2 2.83Å; L310-Q313 WeakPolarHBondContact O-CB 3.49Å; L310-Q313 PolarHBondContact O-N 3.24Å; L310-Q313 VanDerWaalsContact O-N 3.11Å; Q313-F317 HydrophobicContact CB-CB 4.12Å; Q313-F317 HydrophobicContact CB-CD1 3.73Å; Q313-F317 HydrophobicContact CB-CE1 4.49Å; Q313-F317 HydrophobicContact CB-CG 4.08Å; Q313-F317 HydrophobicContact CG-CD1 4.03Å; Q313-F317 HydrophobicContact CG-CE1 4.35Å; Q313-F317 HydrophobicContact CG-CG 4.44Å; Q313-F318 HydrophobicContact CB-CE2 4.08Å; Q313-F318 HydrophobicContact CB-CZ 4.42Å; Q313-R539 PolarHBondContact NE2-O 2.72Å |
| 314 | E | 93.2 | Very high | 93.4 | Very high | 15 Ų | 15 | 58.6 Ų | 58.6 | 7% | 0.07 | 34% | 0.337 | C | S | . | . | trans | -68.9 | 159.6 | 175.4 | 75.1 | -71 | 170.5 | 0 | 0 | 112.3 | G316 F317 F318 R539 P541 Q542 I543 | E314-G316 VanDerWaalsContact C-N 3.27Å; E314-G316 PolarHBondContact O-N 3.33Å; E314-F317 VanDerWaalsContact O-CB 3.29Å; E314-F317 WeakPolarHBondContact O-CB 3.4Å; E314-F317 PolarHBondContact O-N 3.12Å; E314-F318 WeakPolarHBondContact O-CD2 3.12Å; E314-R539 VanDerWaalsContact CD-NH1 3.3Å; E314-R539 IonicContact OE1-CZ 3Å; E314-R539 VanDerWaalsContact OE1-CZ 3.28Å; E314-R539 IonicContact OE1-NH1 3.42Å; E314-R539 PolarHBondContact OE1-NH1 2.89Å; E314-R539 IonicContact OE1-NH2 2.69Å; E314-R539 PolarHBondContact OE1-NH2 2.93Å; E314-R539 IonicContact OE2-CZ 2.9Å; E314-R539 IonicContact OE2-NH1 2.58Å; E314-R539 PolarHBondContact OE2-NH1 3.39Å; E314-P541 WeakPolarHBondContact OE2-CA 3.32Å; E314-P541 VanDerWaalsContact OE2-CB 3.31Å; E314-P541 WeakPolarHBondContact OE2-CB 3.4Å; E314-Q542 HydrophobicContact CG-CB 4.35Å; E314-Q542 PolarHBondContact OE2-N 2.86Å; E314-I543 HydrophobicContact CB-CB 4.07Å; E314-I543 HydrophobicContact CB-CD1 4.28Å; E314-I543 HydrophobicContact CB-CG1 4.31Å | ||
| 315 | I | 93.1 | Very high | 93.2 | Very high | 58 Ų | 58 | 57.8 Ų | 57.8 | 30% | 0.297 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.4 | -35.6 | -178.2 | -70.9 | 159.6 | 0 | 0 | 0 | 112.2 | F317 F318 D319 F609 Y610 | I315-F317 PolarHBondContact O-N 2.71Å; I315-F317 VanDerWaalsContact O-N 3.07Å; I315-F318 WeakPolarHBondContact O-CA 3.5Å; I315-F318 WeakPolarHBondContact O-CB 3.27Å; I315-F318 PolarHBondContact O-N 2.99Å; I315-D319 PolarHBondContact O-N 3.26Å; I315-F609 HydrophobicContact CD1-CB 3.46Å; I315-F609 VanDerWaalsContact CD1-CB 3.46Å; I315-F609 HydrophobicContact CD1-CD1 3.24Å; I315-F609 HydrophobicContact CD1-CD2 3.51Å; I315-F609 HydrophobicContact CD1-CE1 3.71Å; I315-F609 HydrophobicContact CD1-CE2 3.97Å; I315-F609 HydrophobicContact CD1-CG 3.12Å; I315-F609 HydrophobicContact CD1-CZ 4.05Å; I315-Y610 WeakPolarHBondContact CG2-OH 3.31Å |
| 316 | G | 91.5 | Very high | 93.1 | Very high | 17 Ų | 17 | 55.9 Ų | 55.9 | 18% | 0.175 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57 | -24.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | E314 | E314-G316 VanDerWaalsContact C-N 3.27Å; E314-G316 PolarHBondContact O-N 3.33Å |
| 317 | F | 92.9 | Very high | 93 | Very high | 14 Ų | 14 | 61.3 Ų | 61.3 | 6% | 0.061 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66 | -41.4 | 171.5 | 168.5 | -106.8 | 0 | 0 | 0 | 112.2 | L310 Q313 E314 I315 D319 G320 T321 I326 L536 R539 | L310-F317 HydrophobicContact CD2-CE1 3.9Å; L310-F317 HydrophobicContact CD2-CZ 4.29Å; Q313-F317 HydrophobicContact CB-CB 4.12Å; Q313-F317 HydrophobicContact CB-CD1 3.73Å; Q313-F317 HydrophobicContact CB-CE1 4.49Å; Q313-F317 HydrophobicContact CB-CG 4.08Å; Q313-F317 HydrophobicContact CG-CD1 4.03Å; Q313-F317 HydrophobicContact CG-CE1 4.35Å; Q313-F317 HydrophobicContact CG-CG 4.44Å; E314-F317 VanDerWaalsContact O-CB 3.29Å; E314-F317 WeakPolarHBondContact O-CB 3.4Å; E314-F317 PolarHBondContact O-N 3.12Å; I315-F317 PolarHBondContact O-N 2.71Å; I315-F317 VanDerWaalsContact O-N 3.07Å; F317-D319 VanDerWaalsContact C-N 3.34Å; F317-G320 PolarHBondContact O-N 2.93Å; F317-T321 HydrophobicContact CE2-CG2 4.29Å; F317-T321 VanDerWaalsContact CE2-OG1 3.29Å; F317-T321 WeakPolarHBondContact CE2-OG1 3.37Å; F317-T321 HydrophobicContact CZ-CG2 4.04Å; F317-T321 VanDerWaalsContact O-CB 3.24Å; F317-T321 WeakPolarHBondContact O-CB 3.48Å; F317-T321 PolarHBondContact O-N 2.97Å; F317-T321 PolarHBondContact O-OG1 3.27Å; F317-I326 HydrophobicContact CE1-CD1 3.82Å; F317-I326 HydrophobicContact CE1-CG1 4.48Å; F317-I326 HydrophobicContact CZ-CD1 4.28Å; F317-L536 HydrophobicContact CE2-CD2 4.03Å; F317-L536 HydrophobicContact CZ-CD2 3.68Å; F317-R539 VanDerWaalsContact CD2-CZ 3.48Å |
| 318 | F | 94.1 | Very high | 92.9 | Very high | 82 Ų | 82 | 59 Ų | 59 | 36% | 0.36 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -76.2 | -22.7 | -178.5 | -63.3 | -80 | 0 | 0 | 0 | 112.7 | L310 Q313 E314 I315 I326 | L310-F318 WeakPolarHBondContact O-CZ 3.45Å; Q313-F318 HydrophobicContact CB-CE2 4.08Å; Q313-F318 HydrophobicContact CB-CZ 4.42Å; E314-F318 WeakPolarHBondContact O-CD2 3.12Å; I315-F318 WeakPolarHBondContact O-CA 3.5Å; I315-F318 WeakPolarHBondContact O-CB 3.27Å; I315-F318 PolarHBondContact O-N 2.99Å; F318-I326 HydrophobicContact CD1-CD1 3.73Å; F318-I326 HydrophobicContact CE1-CD1 3.79Å |
| 319 | D | 91.1 | Very high | 92.8 | Very high | 83 Ų | 83 | 59.1 Ų | 59.1 | 44% | 0.444 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.4 | -39.7 | 171.1 | -66.6 | -19.1 | 0 | 0 | 0 | 112.1 | I315 F317 Y610 | I315-D319 PolarHBondContact O-N 3.26Å; F317-D319 VanDerWaalsContact C-N 3.34Å; D319-Y610 PolarHBondContact OD2-OH 3.48Å |
| 320 | G | 87.2 | Confident | 92.7 | Very high | 65 Ų | 65 | 59.8 Ų | 59.8 | 67% | 0.67 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -86.3 | -19.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | F317 | F317-G320 PolarHBondContact O-N 2.93Å |
| 321 | T | 89.6 | Confident | 92.5 | Very high | 37 Ų | 37 | 62.6 Ų | 62.6 | 23% | 0.227 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -116.4 | 116.7 | -172.5 | -48.4 | 0 | 0 | 0 | 0 | 111.2 | F317 T323 I326 | F317-T321 HydrophobicContact CE2-CG2 4.29Å; F317-T321 VanDerWaalsContact CE2-OG1 3.29Å; F317-T321 WeakPolarHBondContact CE2-OG1 3.37Å; F317-T321 HydrophobicContact CZ-CG2 4.04Å; F317-T321 VanDerWaalsContact O-CB 3.24Å; F317-T321 WeakPolarHBondContact O-CB 3.48Å; F317-T321 PolarHBondContact O-N 2.97Å; F317-T321 PolarHBondContact O-OG1 3.27Å; T321-T323 PolarHBondContact O-N 3.44Å; T321-I326 HydrophobicContact CG2-CD1 4.03Å; T321-I326 HydrophobicContact CG2-CG1 3.81Å |
| 322 | S | 91.6 | Very high | 92.5 | Very high | 73 Ų | 73 | 59.8 Ų | 59.8 | 51% | 0.51 | 35% | 0.351 | S | S | . | . | trans | -59 | 134.3 | 176.1 | 174.8 | 0 | 0 | 0 | 0 | 112.1 | G324 V325 I326 | S322-G324 PolarHBondContact O-N 2.91Å; S322-G324 PolarHBondContact OG-N 3.39Å; S322-V325 WeakPolarHBondContact O-CB 3.3Å; S322-V325 PolarHBondContact O-N 3.47Å; S322-I326 PolarHBondContact O-N 3.4Å | ||
| 323 | T | 91.6 | Very high | 92.5 | Very high | 104 Ų | 104 | 51.6 Ų | 51.6 | 64% | 0.638 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -56.9 | -32.7 | 174.9 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | T321 V325 I326 M327 | T321-T323 PolarHBondContact O-N 3.44Å; T323-V325 VanDerWaalsContact C-N 3.33Å; T323-V325 PolarHBondContact O-N 2.9Å; T323-I326 PolarHBondContact O-N 2.81Å; T323-M327 WeakPolarHBondContact O-CB 3.47Å; T323-M327 WeakPolarHBondContact O-CG 3.45Å; T323-M327 PolarHBondContact O-N 3.31Å |
| 324 | G | 92.3 | Very high | 92.5 | Very high | 46 Ų | 46 | 50.8 Ų | 50.8 | 47% | 0.474 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.6 | -36.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S322 S328 | S322-G324 PolarHBondContact O-N 2.91Å; S322-G324 PolarHBondContact OG-N 3.39Å; G324-S328 WeakPolarHBondContact O-CB 3.28Å; G324-S328 PolarHBondContact O-N 3.18Å |
| 325 | V | 92 | Very high | 92.5 | Very high | 66 Ų | 66 | 52.9 Ų | 52.9 | 40% | 0.4 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.9 | -45.2 | 175.3 | 176.4 | 0 | 0 | 0 | 0 | 110.1 | S322 T323 M327 S328 R329 | S322-V325 WeakPolarHBondContact O-CB 3.3Å; S322-V325 PolarHBondContact O-N 3.47Å; T323-V325 VanDerWaalsContact C-N 3.33Å; T323-V325 PolarHBondContact O-N 2.9Å; V325-M327 VanDerWaalsContact C-N 3.33Å; V325-M327 PolarHBondContact O-N 3.05Å; V325-S328 WeakPolarHBondContact O-CB 3.26Å; V325-S328 PolarHBondContact O-N 2.95Å; V325-R329 HydrophobicContact CG1-CG 4.45Å; V325-R329 WeakPolarHBondContact O-CG 3.43Å; V325-R329 PolarHBondContact O-N 3.32Å |
| 326 | I | 94.3 | Very high | 92.4 | Very high | 15 Ų | 15 | 52.1 Ų | 52.1 | 8% | 0.077 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 178 | -63.6 | 169.9 | 0 | 0 | 0 | 110.6 | L310 F317 F318 T321 S322 T323 R329 L330 | L310-I326 HydrophobicContact CD1-CG2 3.53Å; L310-I326 HydrophobicContact CD2-CG2 3.92Å; L310-I326 HydrophobicContact CG-CG2 4.37Å; F317-I326 HydrophobicContact CE1-CD1 3.82Å; F317-I326 HydrophobicContact CE1-CG1 4.48Å; F317-I326 HydrophobicContact CZ-CD1 4.28Å; F318-I326 HydrophobicContact CD1-CD1 3.73Å; F318-I326 HydrophobicContact CE1-CD1 3.79Å; T321-I326 HydrophobicContact CG2-CD1 4.03Å; T321-I326 HydrophobicContact CG2-CG1 3.81Å; S322-I326 PolarHBondContact O-N 3.4Å; T323-I326 PolarHBondContact O-N 2.81Å; I326-R329 WeakPolarHBondContact O-CB 3.49Å; I326-R329 PolarHBondContact O-N 3.22Å; I326-L330 WeakPolarHBondContact O-CB 3.44Å; I326-L330 PolarHBondContact O-N 3.24Å |
| 327 | M | 94.7 | Very high | 92.4 | Very high | 113 Ų | 113 | 51.4 Ų | 51.4 | 56% | 0.557 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.9 | -40.3 | 177.2 | -73.4 | -55.3 | -61.9 | 0 | 0 | 112.8 | T323 V325 R329 L330 S331 | T323-M327 WeakPolarHBondContact O-CB 3.47Å; T323-M327 WeakPolarHBondContact O-CG 3.45Å; T323-M327 PolarHBondContact O-N 3.31Å; V325-M327 VanDerWaalsContact C-N 3.33Å; V325-M327 PolarHBondContact O-N 3.05Å; M327-R329 VanDerWaalsContact C-N 3.26Å; M327-R329 PolarHBondContact O-N 3.26Å; M327-L330 PolarHBondContact O-N 2.68Å; M327-S331 VanDerWaalsContact O-CB 3.32Å; M327-S331 WeakPolarHBondContact O-CB 3.25Å; M327-S331 PolarHBondContact O-N 3Å |
| 328 | S | 94.3 | Very high | 92.1 | Very high | 56 Ų | 56 | 50.8 Ų | 50.8 | 39% | 0.392 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.7 | -39 | 173.2 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | G324 V325 S332 D333 | G324-S328 WeakPolarHBondContact O-CB 3.28Å; G324-S328 PolarHBondContact O-N 3.18Å; V325-S328 WeakPolarHBondContact O-CB 3.26Å; V325-S328 PolarHBondContact O-N 2.95Å; S328-S332 WeakPolarHBondContact O-CA 3.43Å; S328-S332 WeakPolarHBondContact O-CB 3.37Å; S328-S332 PolarHBondContact O-N 3.4Å; S328-D333 PolarHBondContact O-N 3.22Å; S328-D333 VanDerWaalsContact O-N 3.08Å |
| 329 | R | 93 | Very high | 91.9 | Very high | 50 Ų | 50 | 49.5 Ų | 49.5 | 19% | 0.189 | 31% | 0.314 | C | S | . | . | I | π-helix | trans | -67.7 | -47.9 | 178.9 | -62.7 | -90.2 | -178.2 | -95.9 | -4.3 | 111.3 | L306 V325 I326 M327 S331 D333 C334 L536 | L306-R329 HydrophobicContact CD2-CB 4.48Å; V325-R329 HydrophobicContact CG1-CG 4.45Å; V325-R329 WeakPolarHBondContact O-CG 3.43Å; V325-R329 PolarHBondContact O-N 3.32Å; I326-R329 WeakPolarHBondContact O-CB 3.49Å; I326-R329 PolarHBondContact O-N 3.22Å; M327-R329 VanDerWaalsContact C-N 3.26Å; M327-R329 PolarHBondContact O-N 3.26Å; R329-S331 PolarHBondContact O-N 2.98Å; R329-D333 WeakPolarHBondContact CA-OD2 3.3Å; R329-D333 VanDerWaalsContact CD-OD2 3.27Å; R329-D333 WeakPolarHBondContact CD-OD2 3.45Å; R329-D333 IonicContact CZ-OD2 3.83Å; R329-D333 IonicContact NE-OD2 3.24Å; R329-D333 IonicContact NH1-OD1 2.89Å; R329-D333 IonicContact NH1-OD2 2.63Å; R329-D333 PolarHBondContact NH1-OD2 3.02Å; R329-C334 PolarHBondContact O-N 3.47Å; R329-C334 PolarHBondContact O-SG 3.46Å; R329-L536 HydrophobicContact CB-CD1 3.83Å; R329-L536 HydrophobicContact CG-CD1 3.8Å |
| 330 | L | 94.2 | Very high | 91.9 | Very high | 30 Ų | 30 | 47.3 Ų | 47.3 | 16% | 0.157 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -66 | -36 | -179.2 | -171.8 | 65.5 | 0 | 0 | 0 | 113 | R303 L306 F307 I326 M327 C334 | R303-L330 HydrophobicContact CB-CD1 4.37Å; R303-L330 HydrophobicContact CG-CD1 4.49Å; R303-L330 PolarHBondContact NE-O 3.35Å; R303-L330 VanDerWaalsContact NE-O 3.17Å; L306-L330 HydrophobicContact CB-CD1 4.24Å; L306-L330 HydrophobicContact CD2-CB 4.22Å; L306-L330 HydrophobicContact CD2-CD1 3.84Å; L306-L330 HydrophobicContact CG-CD1 4.07Å; F307-L330 HydrophobicContact CB-CD1 4.28Å; F307-L330 HydrophobicContact CD2-CD2 4.32Å; I326-L330 WeakPolarHBondContact O-CB 3.44Å; I326-L330 PolarHBondContact O-N 3.24Å; M327-L330 PolarHBondContact O-N 2.68Å; L330-C334 WeakPolarHBondContact O-CB 3.47Å |
| 331 | S | 91.6 | Very high | 92 | Very high | 67 Ų | 67 | 44.4 Ų | 44.4 | 47% | 0.469 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -91.1 | -69.6 | -179.3 | -173.9 | 0 | 0 | 0 | 0 | 112.1 | R303 M327 R329 Q335 | R303-S331 PolarHBondContact NH2-O 3.19Å; R303-S331 VanDerWaalsContact NH2-O 3.17Å; M327-S331 VanDerWaalsContact O-CB 3.32Å; M327-S331 WeakPolarHBondContact O-CB 3.25Å; M327-S331 PolarHBondContact O-N 3Å; R329-S331 PolarHBondContact O-N 2.98Å; S331-Q335 WeakPolarHBondContact O-CB 3.48Å; S331-Q335 PolarHBondContact O-N 3.48Å |
| 332 | S | 92.9 | Very high | 91.9 | Very high | 61 Ų | 61 | 43 Ų | 43 | 43% | 0.427 | 26% | 0.263 | S | S | . | . | I | π-helix | trans | -78.9 | -46.5 | -167.4 | 179.5 | 0 | 0 | 0 | 0 | 113 | S328 Q335 S336 | S328-S332 WeakPolarHBondContact O-CA 3.43Å; S328-S332 WeakPolarHBondContact O-CB 3.37Å; S328-S332 PolarHBondContact O-N 3.4Å; S332-Q335 PolarHBondContact O-N 2.88Å; S332-S336 WeakPolarHBondContact O-CB 3.4Å; S332-S336 PolarHBondContact O-N 2.76Å; S332-S336 PolarHBondContact O-OG 2.82Å |
| 333 | D | 93.5 | Very high | 91.8 | Very high | 15 Ų | 15 | 45.5 Ų | 45.5 | 8% | 0.08 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -70.9 | -40.4 | -178.1 | -64.7 | -65.3 | 0 | 0 | 0 | 111.3 | S328 R329 Q335 S336 M337 A529 V533 | S328-D333 PolarHBondContact O-N 3.22Å; S328-D333 VanDerWaalsContact O-N 3.08Å; R329-D333 WeakPolarHBondContact CA-OD2 3.3Å; R329-D333 VanDerWaalsContact CD-OD2 3.27Å; R329-D333 WeakPolarHBondContact CD-OD2 3.45Å; R329-D333 IonicContact CZ-OD2 3.83Å; R329-D333 IonicContact NE-OD2 3.24Å; R329-D333 IonicContact NH1-OD1 2.89Å; R329-D333 IonicContact NH1-OD2 2.63Å; R329-D333 PolarHBondContact NH1-OD2 3.02Å; D333-Q335 VanDerWaalsContact C-N 3.35Å; D333-Q335 PolarHBondContact O-N 3.15Å; D333-S336 PolarHBondContact O-N 3.49Å; D333-M337 WeakPolarHBondContact O-CB 3.45Å; D333-M337 PolarHBondContact O-N 3.27Å; D333-A529 HydrophobicContact CB-CB 4.39Å; D333-V533 HydrophobicContact CB-CG2 3.66Å |
| 334 | C | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.8 | -43.2 | 172.3 | -71.9 | 0 | 0 | 0 | 0 | 112.3 | N299 I302 R303 L306 R329 L330 S338 | N299-C334 VanDerWaalsContact ND2-C 3.34Å; N299-C334 PolarHBondContact ND2-O 3.28Å; N299-C334 VanDerWaalsContact ND2-O 3.13Å; I302-C334 HydrophobicContact CG2-CB 4.38Å; R303-C334 HydrophobicContact CG-CB 3.92Å; L306-C334 VanDerWaalsContact CD2-SG 3.57Å; R329-C334 PolarHBondContact O-N 3.47Å; R329-C334 PolarHBondContact O-SG 3.46Å; L330-C334 WeakPolarHBondContact O-CB 3.47Å; C334-S338 WeakPolarHBondContact O-CB 3.49Å; C334-S338 PolarHBondContact O-N 3.42Å; C334-S338 VanDerWaalsContact O-N 3.12Å; C334-S338 PolarHBondContact O-OG 2.93Å; C334-S338 VanDerWaalsContact O-OG 3.08Å |
| 335 | Q | 92.9 | Very high | 91.7 | Very high | 59 Ų | 59 | 40.6 Ų | 40.6 | 28% | 0.276 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.6 | -55 | 175.2 | -175.8 | 66.4 | 30.2 | 0 | 0 | 110.9 | F295 N299 S331 S332 D333 M337 S338 D339 | F295-Q335 VanDerWaalsContact CZ-NE2 3.27Å; N299-Q335 VanDerWaalsContact ND2-CA 3.33Å; N299-Q335 WeakPolarHBondContact ND2-CA 3.49Å; N299-Q335 PolarHBondContact ND2-N 2.8Å; S331-Q335 WeakPolarHBondContact O-CB 3.48Å; S331-Q335 PolarHBondContact O-N 3.48Å; S332-Q335 PolarHBondContact O-N 2.88Å; D333-Q335 VanDerWaalsContact C-N 3.35Å; D333-Q335 PolarHBondContact O-N 3.15Å; Q335-M337 VanDerWaalsContact C-N 3.33Å; Q335-M337 PolarHBondContact O-N 3.37Å; Q335-S338 PolarHBondContact O-N 3.16Å; Q335-D339 VanDerWaalsContact CG-OD2 3.31Å; Q335-D339 WeakPolarHBondContact CG-OD2 3.37Å; Q335-D339 VanDerWaalsContact NE2-CG 3.3Å; Q335-D339 PolarHBondContact NE2-OD1 3.41Å; Q335-D339 PolarHBondContact NE2-OD2 2.92Å; Q335-D339 WeakPolarHBondContact O-CB 3.49Å; Q335-D339 PolarHBondContact O-N 2.75Å |
| 336 | S | 91.5 | Very high | 91.6 | Very high | 42 Ų | 42 | 38.3 Ų | 38.3 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.8 | -43.7 | -178.7 | -56 | 0 | 0 | 0 | 0 | 112.1 | S332 D333 L340 | S332-S336 WeakPolarHBondContact O-CB 3.4Å; S332-S336 PolarHBondContact O-N 2.76Å; S332-S336 PolarHBondContact O-OG 2.82Å; D333-S336 PolarHBondContact O-N 3.49Å; S336-L340 WeakPolarHBondContact O-CB 3.21Å; S336-L340 WeakPolarHBondContact O-CD1 3.24Å; S336-L340 WeakPolarHBondContact O-CG 2.99Å; S336-L340 PolarHBondContact O-N 2.91Å |
| 337 | M | 90.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58 | -49 | 176.9 | 170.3 | -179 | 168.1 | 0 | 0 | 111.6 | M218 I302 D333 Q335 I341 A529 V533 F534 | M218-M337 HydrophobicContact CG-CE 3.56Å; M218-M337 HydrophobicContact CG-CG 4.21Å; M218-M337 HydrophobicContact SD-CE 4.31Å; M218-M337 HydrophobicContact SD-CG 3.74Å; I302-M337 HydrophobicContact CD1-CE 3.69Å; I302-M337 HydrophobicContact CD1-SD 4.31Å; I302-M337 HydrophobicContact CG1-CE 4.38Å; I302-M337 HydrophobicContact CG2-CE 4.47Å; I302-M337 HydrophobicContact CG2-SD 4.29Å; D333-M337 WeakPolarHBondContact O-CB 3.45Å; D333-M337 PolarHBondContact O-N 3.27Å; Q335-M337 VanDerWaalsContact C-N 3.33Å; Q335-M337 PolarHBondContact O-N 3.37Å; M337-I341 VanDerWaalsContact O-CG2 3.25Å; M337-I341 WeakPolarHBondContact O-CG2 3.43Å; M337-I341 PolarHBondContact O-N 2.96Å; M337-A529 HydrophobicContact CB-CB 4.2Å; M337-V533 HydrophobicContact SD-CB 4.04Å; M337-V533 HydrophobicContact SD-CG1 4.01Å; M337-V533 HydrophobicContact SD-CG2 4.32Å; M337-F534 HydrophobicContact CE-CD2 4.31Å; M337-F534 HydrophobicContact CE-CE1 3.8Å; M337-F534 HydrophobicContact CE-CE2 3.44Å; M337-F534 VanDerWaalsContact CE-CE2 3.44Å; M337-F534 HydrophobicContact CE-CZ 3.12Å; M337-F534 HydrophobicContact SD-CZ 4.49Å |
| 338 | S | 88 | Confident | 91.5 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72.1 | -40.6 | -178.4 | -61.9 | 0 | 0 | 0 | 0 | 112.4 | F295 N299 I302 C334 Q335 I341 A342 | F295-S338 VanDerWaalsContact CD2-C 3.49Å; F295-S338 WeakPolarHBondContact CD2-O 3.28Å; F295-S338 VanDerWaalsContact CE2-C 3.43Å; N299-S338 WeakPolarHBondContact CA-OG 3.29Å; I302-S338 WeakPolarHBondContact CD1-OG 3.47Å; C334-S338 WeakPolarHBondContact O-CB 3.49Å; C334-S338 PolarHBondContact O-N 3.42Å; C334-S338 VanDerWaalsContact O-N 3.12Å; C334-S338 PolarHBondContact O-OG 2.93Å; C334-S338 VanDerWaalsContact O-OG 3.08Å; Q335-S338 PolarHBondContact O-N 3.16Å; S338-I341 WeakPolarHBondContact O-CG2 3.49Å; S338-A342 WeakPolarHBondContact O-CB 3.48Å; S338-A342 PolarHBondContact O-N 3.48Å |
| 339 | D | 89.2 | Confident | 91.5 | Very high | 56 Ų | 56 | 37.1 Ų | 37.1 | 30% | 0.299 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65 | -52.1 | -180 | -80.3 | -28.8 | 0 | 0 | 0 | 110.6 | F295 Q335 I341 A342 F343 | F295-D339 VanDerWaalsContact CE1-OD1 3.29Å; F295-D339 WeakPolarHBondContact CE1-OD1 3.19Å; F295-D339 HydrophobicContact CE2-CB 4.25Å; F295-D339 VanDerWaalsContact CE2-N 3.33Å; F295-D339 WeakPolarHBondContact CE2-OD1 3.5Å; F295-D339 WeakPolarHBondContact CZ-OD1 3.49Å; Q335-D339 VanDerWaalsContact CG-OD2 3.31Å; Q335-D339 WeakPolarHBondContact CG-OD2 3.37Å; Q335-D339 VanDerWaalsContact NE2-CG 3.3Å; Q335-D339 PolarHBondContact NE2-OD1 3.41Å; Q335-D339 PolarHBondContact NE2-OD2 2.92Å; Q335-D339 WeakPolarHBondContact O-CB 3.49Å; Q335-D339 PolarHBondContact O-N 2.75Å; D339-I341 PolarHBondContact O-N 3.24Å; D339-A342 PolarHBondContact O-N 3.37Å; D339-F343 WeakPolarHBondContact O-CB 3.27Å; D339-F343 PolarHBondContact O-N 3Å |
| 340 | L | 91.2 | Very high | 91.5 | Very high | 37 Ų | 37 | 36.8 Ų | 36.8 | 19% | 0.194 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.1 | -40.7 | -172.9 | -68 | 168.6 | 0 | 0 | 0 | 111 | S336 N344 Q525 A526 | S336-L340 WeakPolarHBondContact O-CB 3.21Å; S336-L340 WeakPolarHBondContact O-CD1 3.24Å; S336-L340 WeakPolarHBondContact O-CG 2.99Å; S336-L340 PolarHBondContact O-N 2.91Å; L340-N344 WeakPolarHBondContact O-CB 3.45Å; L340-N344 PolarHBondContact O-N 3.25Å; L340-N344 PolarHBondContact O-ND2 3.45Å; L340-Q525 HydrophobicContact CD1-CB 3.64Å; L340-A526 HydrophobicContact CB-CB 3.68Å; L340-A526 HydrophobicContact CD1-CB 4.44Å |
| 341 | I | 90.5 | Very high | 91.5 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64 | -46.9 | 178.5 | -170.4 | 61.8 | 0 | 0 | 0 | 111.3 | M218 M337 S338 D339 L345 L523 | M218-I341 HydrophobicContact CB-CB 4.41Å; M218-I341 HydrophobicContact CB-CD1 4.42Å; M218-I341 HydrophobicContact CB-CG1 3.96Å; M218-I341 HydrophobicContact CB-CG2 4.47Å; M218-I341 HydrophobicContact CE-CD1 4.26Å; M218-I341 HydrophobicContact SD-CB 4.15Å; M218-I341 HydrophobicContact SD-CG1 4.5Å; M337-I341 VanDerWaalsContact O-CG2 3.25Å; M337-I341 WeakPolarHBondContact O-CG2 3.43Å; M337-I341 PolarHBondContact O-N 2.96Å; S338-I341 WeakPolarHBondContact O-CG2 3.49Å; D339-I341 PolarHBondContact O-N 3.24Å; I341-L345 HydrophobicContact CD1-CD1 4.29Å; I341-L345 HydrophobicContact CD1-CG 4.42Å; I341-L345 HydrophobicContact CG1-CD1 3.97Å; I341-L345 WeakPolarHBondContact O-CB 3.37Å; I341-L345 WeakPolarHBondContact O-CD1 3.46Å; I341-L345 WeakPolarHBondContact O-CG 3.45Å; I341-L345 PolarHBondContact O-N 2.86Å; I341-L523 HydrophobicContact CD1-CD2 3.8Å |
| 342 | A | 86.6 | Confident | 91.6 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 6% | 0.058 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.5 | -45.7 | -177 | 0 | 0 | 0 | 0 | 0 | 112 | F295 S338 D339 N344 L345 N346 | F295-A342 HydrophobicContact CB-CB 4.2Å; F295-A342 HydrophobicContact CD2-CB 4.5Å; S338-A342 WeakPolarHBondContact O-CB 3.48Å; S338-A342 PolarHBondContact O-N 3.48Å; D339-A342 PolarHBondContact O-N 3.37Å; A342-N344 PolarHBondContact O-N 3.35Å; A342-L345 PolarHBondContact O-N 2.99Å; A342-N346 PolarHBondContact O-N 2.88Å |
| 343 | F | 89.4 | Confident | 91.7 | Very high | 126 Ų | 126 | 33.1 Ų | 33.1 | 55% | 0.553 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -58.7 | -48.9 | 177.1 | 176.6 | -99.7 | 0 | 0 | 0 | 111.3 | D339 L345 N346 V347 | D339-F343 WeakPolarHBondContact O-CB 3.27Å; D339-F343 PolarHBondContact O-N 3Å; F343-L345 VanDerWaalsContact C-N 3.35Å; F343-L345 PolarHBondContact O-N 2.63Å; F343-N346 PolarHBondContact O-N 3.46Å; F343-V347 HydrophobicContact CD1-CG2 4.19Å; F343-V347 HydrophobicContact CD2-CG2 4.36Å; F343-V347 HydrophobicContact CE1-CG2 3.81Å; F343-V347 HydrophobicContact CE2-CG2 3.99Å; F343-V347 HydrophobicContact CG-CG2 4.45Å; F343-V347 HydrophobicContact CZ-CG2 3.7Å; F343-V347 VanDerWaalsContact O-CG2 3.3Å; F343-V347 WeakPolarHBondContact O-CG2 3.32Å; F343-V347 PolarHBondContact O-N 2.94Å |
| 344 | N | 91.6 | Very high | 91.7 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.7 | -34.8 | -178.3 | -75.7 | -64.5 | 0 | 0 | 0 | 112.2 | L340 A342 F348 V519 G522 L523 | L340-N344 WeakPolarHBondContact O-CB 3.45Å; L340-N344 PolarHBondContact O-N 3.25Å; L340-N344 PolarHBondContact O-ND2 3.45Å; A342-N344 PolarHBondContact O-N 3.35Å; N344-F348 WeakPolarHBondContact O-CB 3.29Å; N344-F348 PolarHBondContact O-N 3.31Å; N344-V519 HydrophobicContact CB-CG1 4.07Å; N344-V519 WeakPolarHBondContact OD1-CA 3.31Å; N344-G522 VanDerWaalsContact ND2-C 3.25Å; N344-G522 VanDerWaalsContact ND2-CA 3.29Å; N344-G522 WeakPolarHBondContact ND2-CA 3.2Å; N344-L523 HydrophobicContact CB-CD2 4.19Å; N344-L523 HydrophobicContact CB-CG 4.23Å |
| 345 | L | 89.6 | Confident | 91.7 | Very high | 43 Ų | 43 | 34.4 Ų | 34.4 | 23% | 0.225 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.8 | -46.3 | 171.9 | -74 | 167.7 | 0 | 0 | 0 | 112.2 | L219 I341 A342 F343 F348 L349 | L219-L345 HydrophobicContact CD2-CD1 3.51Å; L219-L345 HydrophobicContact CD2-CD2 3.95Å; L219-L345 HydrophobicContact CD2-CG 4.32Å; I341-L345 HydrophobicContact CD1-CD1 4.29Å; I341-L345 HydrophobicContact CD1-CG 4.42Å; I341-L345 HydrophobicContact CG1-CD1 3.97Å; I341-L345 WeakPolarHBondContact O-CB 3.37Å; I341-L345 WeakPolarHBondContact O-CD1 3.46Å; I341-L345 WeakPolarHBondContact O-CG 3.45Å; I341-L345 PolarHBondContact O-N 2.86Å; A342-L345 PolarHBondContact O-N 2.99Å; F343-L345 VanDerWaalsContact C-N 3.35Å; F343-L345 PolarHBondContact O-N 2.63Å; L345-F348 PolarHBondContact O-N 2.66Å; L345-L349 WeakPolarHBondContact O-CB 3.28Å; L345-L349 VanDerWaalsContact O-CG 3.29Å; L345-L349 WeakPolarHBondContact O-CG 3.35Å; L345-L349 PolarHBondContact O-N 2.96Å |
| 346 | N | 91.4 | Very high | 91.7 | Very high | 19 Ų | 19 | 36.2 Ų | 36.2 | 10% | 0.102 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.5 | -46.7 | 177.3 | 178.5 | 2.5 | 0 | 0 | 0 | 111.5 | L236 R287 A342 F343 R350 | L236-N346 WeakPolarHBondContact CD1-OD1 3.46Å; R287-N346 PolarHBondContact NH1-OD1 3.3Å; A342-N346 PolarHBondContact O-N 2.88Å; F343-N346 PolarHBondContact O-N 3.46Å; N346-R350 WeakPolarHBondContact O-CB 3.38Å; N346-R350 PolarHBondContact O-N 3.4Å |
| 347 | V | 92.4 | Very high | 91.9 | Very high | 12 Ų | 12 | 35 Ų | 35 | 7% | 0.073 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.4 | -45.6 | 176.8 | 174.4 | 0 | 0 | 0 | 0 | 111 | F343 N351 V519 | F343-V347 HydrophobicContact CD1-CG2 4.19Å; F343-V347 HydrophobicContact CD2-CG2 4.36Å; F343-V347 HydrophobicContact CE1-CG2 3.81Å; F343-V347 HydrophobicContact CE2-CG2 3.99Å; F343-V347 HydrophobicContact CG-CG2 4.45Å; F343-V347 HydrophobicContact CZ-CG2 3.7Å; F343-V347 VanDerWaalsContact O-CG2 3.3Å; F343-V347 WeakPolarHBondContact O-CG2 3.32Å; F343-V347 PolarHBondContact O-N 2.94Å; V347-N351 VanDerWaalsContact CG1-ND2 3.26Å; V347-N351 WeakPolarHBondContact CG1-ND2 3.3Å; V347-N351 WeakPolarHBondContact O-CB 3.26Å; V347-N351 PolarHBondContact O-N 3.34Å; V347-N351 PolarHBondContact O-ND2 3.32Å; V347-V519 HydrophobicContact CB-CG2 4.05Å; V347-V519 HydrophobicContact CG1-CG2 3.63Å |
| 348 | F | 93.9 | Very high | 92.1 | Very high | 90 Ų | 90 | 34.9 Ų | 34.9 | 40% | 0.395 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.5 | -52.4 | 179.8 | -178.5 | -103.7 | 0 | 0 | 0 | 112.2 | N344 L345 N351 T352 I516 V519 | N344-F348 WeakPolarHBondContact O-CB 3.29Å; N344-F348 PolarHBondContact O-N 3.31Å; L345-F348 PolarHBondContact O-N 2.66Å; F348-N351 PolarHBondContact O-N 3.13Å; F348-T352 WeakPolarHBondContact O-CB 3.31Å; F348-T352 PolarHBondContact O-N 2.78Å; F348-T352 PolarHBondContact O-OG1 3.4Å; F348-I516 HydrophobicContact CD2-CG2 4.42Å; F348-I516 HydrophobicContact CE2-CG2 4.37Å; F348-V519 HydrophobicContact CB-CG1 3.93Å; F348-V519 HydrophobicContact CB-CG2 4Å; F348-V519 HydrophobicContact CD2-CG1 4.16Å; F348-V519 HydrophobicContact CG-CG1 4.39Å |
| 349 | L | 93.4 | Very high | 92.3 | Very high | 56 Ų | 56 | 37.1 Ų | 37.1 | 29% | 0.293 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.3 | -46.3 | -178 | -69.8 | 169.8 | 0 | 0 | 0 | 111.5 | F233 L236 L345 N351 T352 I353 | F233-L349 HydrophobicContact CD2-CD1 4.02Å; F233-L349 HydrophobicContact CE2-CD1 4.3Å; F233-L349 HydrophobicContact CE2-CD2 4.24Å; L236-L349 HydrophobicContact CD1-CB 4.15Å; L236-L349 HydrophobicContact CD2-CB 4.36Å; L345-L349 WeakPolarHBondContact O-CB 3.28Å; L345-L349 VanDerWaalsContact O-CG 3.29Å; L345-L349 WeakPolarHBondContact O-CG 3.35Å; L345-L349 PolarHBondContact O-N 2.96Å; L349-N351 PolarHBondContact O-N 2.91Å; L349-T352 PolarHBondContact O-N 2.82Å; L349-I353 WeakPolarHBondContact O-CG1 3.49Å; L349-I353 PolarHBondContact O-N 2.85Å; L349-I353 VanDerWaalsContact O-N 3.09Å |
| 350 | R | 93 | Very high | 92.6 | Very high | 43 Ų | 43 | 39 Ų | 39 | 16% | 0.162 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.6 | -53.8 | 176.9 | 178.2 | -170.4 | 66.2 | -124.1 | 19.7 | 110.9 | L236 Y239 N346 T352 I353 M354 | L236-R350 HydrophobicContact CD1-CB 4.19Å; L236-R350 HydrophobicContact CD2-CB 4.35Å; L236-R350 HydrophobicContact CG-CB 4.28Å; Y239-R350 HydrophobicContact CE1-CG 4.29Å; N346-R350 WeakPolarHBondContact O-CB 3.38Å; N346-R350 PolarHBondContact O-N 3.4Å; R350-T352 VanDerWaalsContact C-N 3.3Å; R350-T352 PolarHBondContact O-N 2.95Å; R350-I353 PolarHBondContact O-N 3.46Å; R350-M354 HydrophobicContact CG-CG 4.42Å; R350-M354 WeakPolarHBondContact O-CG 3.37Å; R350-M354 PolarHBondContact O-N 3.08Å |
| 351 | N | 94.2 | Very high | 92.8 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 5% | 0.048 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73.3 | -25 | -173.9 | -66.7 | -51.9 | 0 | 0 | 0 | 112.4 | V347 F348 L349 M354 L355 A512 S515 I516 | V347-N351 VanDerWaalsContact CG1-ND2 3.26Å; V347-N351 WeakPolarHBondContact CG1-ND2 3.3Å; V347-N351 WeakPolarHBondContact O-CB 3.26Å; V347-N351 PolarHBondContact O-N 3.34Å; V347-N351 PolarHBondContact O-ND2 3.32Å; F348-N351 PolarHBondContact O-N 3.13Å; L349-N351 PolarHBondContact O-N 2.91Å; N351-M354 PolarHBondContact O-N 3.42Å; N351-L355 WeakPolarHBondContact O-CB 3.22Å; N351-L355 PolarHBondContact O-N 3.24Å; N351-A512 HydrophobicContact CB-CB 4.38Å; N351-S515 VanDerWaalsContact CG-CB 3.48Å; N351-S515 WeakPolarHBondContact ND2-CB 2.94Å; N351-I516 HydrophobicContact CB-CD1 4.12Å; N351-I516 HydrophobicContact CB-CG1 3.7Å |
| 352 | T | 94.6 | Very high | 92.9 | Very high | 40 Ų | 40 | 38.1 Ų | 38.1 | 25% | 0.245 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65 | -44.1 | 170 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | F348 L349 R350 L355 I356 | F348-T352 WeakPolarHBondContact O-CB 3.31Å; F348-T352 PolarHBondContact O-N 2.78Å; F348-T352 PolarHBondContact O-OG1 3.4Å; L349-T352 PolarHBondContact O-N 2.82Å; R350-T352 VanDerWaalsContact C-N 3.3Å; R350-T352 PolarHBondContact O-N 2.95Å; T352-L355 PolarHBondContact O-N 2.92Å; T352-I356 HydrophobicContact CG2-CD1 3.88Å; T352-I356 VanDerWaalsContact O-CG1 3.31Å; T352-I356 WeakPolarHBondContact O-CG1 3.24Å; T352-I356 PolarHBondContact O-N 3.47Å |
| 353 | I | 94.5 | Very high | 93.2 | Very high | 32 Ų | 32 | 39.8 Ų | 39.8 | 16% | 0.164 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.9 | -42.4 | 175.3 | -63.7 | 161.8 | 0 | 0 | 0 | 110.7 | F233 L236 F237 I244 L349 R350 L355 I356 G357 | F233-I353 HydrophobicContact CE2-CD1 4.4Å; L236-I353 HydrophobicContact CD2-CD1 3.47Å; L236-I353 VanDerWaalsContact CD2-CD1 3.47Å; F237-I353 HydrophobicContact CD2-CD1 4.11Å; I244-I353 HydrophobicContact CD1-CG2 4.15Å; L349-I353 WeakPolarHBondContact O-CG1 3.49Å; L349-I353 PolarHBondContact O-N 2.85Å; L349-I353 VanDerWaalsContact O-N 3.09Å; R350-I353 PolarHBondContact O-N 3.46Å; I353-L355 VanDerWaalsContact C-N 3.34Å; I353-L355 PolarHBondContact O-N 3.2Å; I353-I356 PolarHBondContact O-N 2.81Å; I353-G357 PolarHBondContact O-N 2.89Å |
| 354 | M | 93.7 | Very high | 93.3 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 3% | 0.034 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.1 | -45.7 | 173.5 | -67.7 | -60.3 | 92.4 | 0 | 0 | 111.9 | S240 I244 R350 N351 S358 A512 | S240-M354 WeakPolarHBondContact O-CE 3.28Å; I244-M354 HydrophobicContact CD1-CE 3.61Å; I244-M354 HydrophobicContact CG1-CE 3.44Å; I244-M354 VanDerWaalsContact CG1-CE 3.44Å; I244-M354 HydrophobicContact CG1-SD 3.96Å; R350-M354 HydrophobicContact CG-CG 4.42Å; R350-M354 WeakPolarHBondContact O-CG 3.37Å; R350-M354 PolarHBondContact O-N 3.08Å; N351-M354 PolarHBondContact O-N 3.42Å; M354-S358 VanDerWaalsContact O-CB 3.26Å; M354-S358 WeakPolarHBondContact O-CB 3.5Å; M354-S358 PolarHBondContact O-N 2.99Å; M354-S358 PolarHBondContact O-OG 3.18Å; M354-A512 HydrophobicContact CB-CB 4.19Å |
| 355 | L | 93.2 | Very high | 93.3 | Very high | 35 Ų | 35 | 39 Ų | 39 | 18% | 0.183 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65 | -47.3 | -177.8 | -178.6 | 145.9 | 0 | 0 | 0 | 111 | N351 T352 I353 S358 L359 L509 A512 L513 I516 | N351-L355 WeakPolarHBondContact O-CB 3.22Å; N351-L355 PolarHBondContact O-N 3.24Å; T352-L355 PolarHBondContact O-N 2.92Å; I353-L355 VanDerWaalsContact C-N 3.34Å; I353-L355 PolarHBondContact O-N 3.2Å; L355-S358 PolarHBondContact O-OG 3.36Å; L355-S358 VanDerWaalsContact O-OG 3.08Å; L355-L359 HydrophobicContact CD2-CD1 3.75Å; L355-L359 HydrophobicContact CG-CD1 4.34Å; L355-L359 WeakPolarHBondContact O-CB 3.48Å; L355-L359 VanDerWaalsContact O-CG 3.23Å; L355-L359 WeakPolarHBondContact O-CG 3.41Å; L355-L359 PolarHBondContact O-N 2.96Å; L355-L509 HydrophobicContact CG-CD1 4.02Å; L355-A512 HydrophobicContact CB-CB 4.15Å; L355-L513 HydrophobicContact CD1-CD2 3.5Å; L355-L513 HydrophobicContact CD1-CG 3.92Å; L355-I516 HydrophobicContact CB-CD1 4.48Å; L355-I516 HydrophobicContact CD1-CD1 3.88Å |
| 356 | I | 94.5 | Very high | 93.4 | Very high | 98 Ų | 98 | 37.3 Ų | 37.3 | 50% | 0.503 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.5 | -46.1 | 178.5 | -64.5 | 167.9 | 0 | 0 | 0 | 110.3 | T352 I353 L359 V360 | T352-I356 HydrophobicContact CG2-CD1 3.88Å; T352-I356 VanDerWaalsContact O-CG1 3.31Å; T352-I356 WeakPolarHBondContact O-CG1 3.24Å; T352-I356 PolarHBondContact O-N 3.47Å; I353-I356 PolarHBondContact O-N 2.81Å; I356-L359 PolarHBondContact O-N 3.36Å; I356-V360 HydrophobicContact CG2-CG2 4.43Å; I356-V360 VanDerWaalsContact O-CG2 3.3Å; I356-V360 WeakPolarHBondContact O-CG2 3.41Å; I356-V360 PolarHBondContact O-N 2.87Å |
| 357 | G | 94.5 | Very high | 93.3 | Very high | 15 Ų | 15 | 40.8 Ų | 40.8 | 16% | 0.155 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I353 V360 I361 | I353-G357 PolarHBondContact O-N 2.89Å; G357-V360 PolarHBondContact O-N 3.04Å; G357-I361 WeakPolarHBondContact O-CG1 3.04Å; G357-I361 PolarHBondContact O-N 3.45Å |
| 358 | S | 93.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.3 | -42.9 | 175.4 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | M354 L355 V360 I361 M362 | M354-S358 VanDerWaalsContact O-CB 3.26Å; M354-S358 WeakPolarHBondContact O-CB 3.5Å; M354-S358 PolarHBondContact O-N 2.99Å; M354-S358 PolarHBondContact O-OG 3.18Å; L355-S358 PolarHBondContact O-OG 3.36Å; L355-S358 VanDerWaalsContact O-OG 3.08Å; S358-V360 PolarHBondContact O-N 3.43Å; S358-I361 PolarHBondContact O-N 3.35Å; S358-M362 VanDerWaalsContact O-CB 3.32Å; S358-M362 WeakPolarHBondContact O-CB 3.38Å; S358-M362 WeakPolarHBondContact O-CG 3.16Å; S358-M362 PolarHBondContact O-N 2.72Å |
| 359 | L | 93.8 | Very high | 92.9 | Very high | 47 Ų | 47 | 36.5 Ų | 36.5 | 25% | 0.246 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.8 | -43 | 175.7 | -76.2 | 173.7 | 0 | 0 | 0 | 112.7 | L355 I356 M362 A363 L509 | L355-L359 HydrophobicContact CD2-CD1 3.75Å; L355-L359 HydrophobicContact CG-CD1 4.34Å; L355-L359 WeakPolarHBondContact O-CB 3.48Å; L355-L359 VanDerWaalsContact O-CG 3.23Å; L355-L359 WeakPolarHBondContact O-CG 3.41Å; L355-L359 PolarHBondContact O-N 2.96Å; I356-L359 PolarHBondContact O-N 3.36Å; L359-M362 PolarHBondContact O-N 3.48Å; L359-A363 VanDerWaalsContact O-CB 3.32Å; L359-A363 WeakPolarHBondContact O-CB 3.42Å; L359-A363 PolarHBondContact O-N 2.96Å; L359-L509 HydrophobicContact CD1-CD1 4.4Å; L359-L509 HydrophobicContact CD2-CD1 3.83Å; L359-L509 HydrophobicContact CD2-CD2 3.89Å; L359-L509 HydrophobicContact CG-CD1 3.72Å |
| 360 | V | 94.9 | Very high | 92.8 | Very high | 96 Ų | 96 | 34.3 Ų | 34.3 | 58% | 0.582 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -62.5 | -44.8 | 177.8 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | I356 G357 S358 A363 S364 | I356-V360 HydrophobicContact CG2-CG2 4.43Å; I356-V360 VanDerWaalsContact O-CG2 3.3Å; I356-V360 WeakPolarHBondContact O-CG2 3.41Å; I356-V360 PolarHBondContact O-N 2.87Å; G357-V360 PolarHBondContact O-N 3.04Å; S358-V360 PolarHBondContact O-N 3.43Å; V360-A363 PolarHBondContact O-N 3.21Å; V360-S364 PolarHBondContact O-N 2.81Å |
| 361 | I | 94.4 | Very high | 92.5 | Very high | 21 Ų | 21 | 32.9 Ų | 32.9 | 11% | 0.108 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70 | -42.1 | 179.8 | -63 | 176.2 | 0 | 0 | 0 | 111 | I244 F245 G357 S358 A363 S364 L365 Y505 | I244-I361 HydrophobicContact CG2-CD1 3.29Å; I244-I361 HydrophobicContact CG2-CG1 4.49Å; F245-I361 HydrophobicContact CD1-CD1 4.29Å; F245-I361 HydrophobicContact CE1-CD1 4.09Å; G357-I361 WeakPolarHBondContact O-CG1 3.04Å; G357-I361 PolarHBondContact O-N 3.45Å; S358-I361 PolarHBondContact O-N 3.35Å; I361-A363 VanDerWaalsContact C-N 3.3Å; I361-A363 PolarHBondContact O-N 3.16Å; I361-S364 WeakPolarHBondContact CA-OG 3.42Å; I361-S364 PolarHBondContact O-N 3.45Å; I361-S364 PolarHBondContact O-OG 2.72Å; I361-L365 HydrophobicContact CG2-CD1 3.96Å; I361-L365 HydrophobicContact CG2-CG 4.17Å; I361-L365 VanDerWaalsContact O-CG 3.32Å; I361-L365 WeakPolarHBondContact O-CG 3.37Å; I361-L365 PolarHBondContact O-N 2.88Å; I361-Y505 HydrophobicContact CB-CE1 4.32Å; I361-Y505 HydrophobicContact CB-CE2 4.17Å; I361-Y505 HydrophobicContact CD1-CE1 4.03Å; I361-Y505 WeakPolarHBondContact CD1-OH 3.16Å; I361-Y505 HydrophobicContact CG2-CD2 3.86Å; I361-Y505 HydrophobicContact CG2-CE1 4.29Å; I361-Y505 HydrophobicContact CG2-CE2 3.29Å |
| 362 | M | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.7 | -44.3 | 174.8 | -73 | 172.3 | 71.7 | 0 | 0 | 111.5 | S358 L359 S364 L365 S366 T370 N373 Y502 Y505 Q506 L509 | S358-M362 VanDerWaalsContact O-CB 3.32Å; S358-M362 WeakPolarHBondContact O-CB 3.38Å; S358-M362 WeakPolarHBondContact O-CG 3.16Å; S358-M362 PolarHBondContact O-N 2.72Å; L359-M362 PolarHBondContact O-N 3.48Å; M362-S364 VanDerWaalsContact C-N 3.3Å; M362-S364 PolarHBondContact O-N 3.08Å; M362-L365 PolarHBondContact O-N 3.43Å; M362-S366 CarbonylContact O-C 3.32Å; M362-S366 PolarHBondContact O-N 2.81Å; M362-T370 PolarHBondContact O-OG1 3.48Å; M362-T370 VanDerWaalsContact O-OG1 3.11Å; M362-N373 VanDerWaalsContact CE-ND2 3.3Å; M362-N373 WeakPolarHBondContact CE-ND2 3.2Å; M362-Y502 HydrophobicContact CB-CD2 4.35Å; M362-Y502 HydrophobicContact CB-CE2 3.88Å; M362-Y502 HydrophobicContact CE-CE1 4.1Å; M362-Y502 HydrophobicContact CE-CE2 4.06Å; M362-Y502 WeakPolarHBondContact CE-OH 3.19Å; M362-Y502 HydrophobicContact CG-CD2 4.47Å; M362-Y502 HydrophobicContact CG-CE2 4.25Å; M362-Y505 VanDerWaalsContact CG-CB 3.48Å; M362-Y505 HydrophobicContact CG-CG 4.31Å; M362-Q506 HydrophobicContact CE-CB 4.01Å; M362-L509 HydrophobicContact CE-CD2 4.18Å; M362-L509 HydrophobicContact SD-CB 4.22Å; M362-L509 HydrophobicContact SD-CD2 4Å |
| 363 | A | 92.3 | Very high | 91.6 | Very high | 43 Ų | 43 | 33.3 Ų | 33.3 | 36% | 0.355 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.8 | -36 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L359 V360 I361 W367 T370 | L359-A363 VanDerWaalsContact O-CB 3.32Å; L359-A363 WeakPolarHBondContact O-CB 3.42Å; L359-A363 PolarHBondContact O-N 2.96Å; V360-A363 PolarHBondContact O-N 3.21Å; I361-A363 VanDerWaalsContact C-N 3.3Å; I361-A363 PolarHBondContact O-N 3.16Å; A363-W367 PolarHBondContact O-N 3.28Å; A363-W367 VanDerWaalsContact O-N 3.16Å; A363-T370 WeakPolarHBondContact CA-OG1 3.44Å; A363-T370 HydrophobicContact CB-CG2 4.33Å; A363-T370 PolarHBondContact N-OG1 3.11Å |
| 364 | S | 92.1 | Very high | 91.1 | Very high | 93 Ų | 93 | 37.1 Ų | 37.1 | 65% | 0.65 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -71.6 | -31.8 | 176.4 | 75.7 | 0 | 0 | 0 | 0 | 113.6 | V360 I361 M362 | V360-S364 PolarHBondContact O-N 2.81Å; I361-S364 WeakPolarHBondContact CA-OG 3.42Å; I361-S364 PolarHBondContact O-N 3.45Å; I361-S364 PolarHBondContact O-OG 2.72Å; M362-S364 VanDerWaalsContact C-N 3.3Å; M362-S364 PolarHBondContact O-N 3.08Å |
| 365 | L | 91.4 | Very high | 90.6 | Very high | 20 Ų | 20 | 37.9 Ų | 37.9 | 11% | 0.105 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -76.2 | -50.9 | 176.6 | -68.6 | 171.2 | 0 | 0 | 0 | 111 | Y248 I361 M362 L494 D498 P501 Y502 Y505 | Y248-L365 HydrophobicContact CD2-CD2 4.23Å; Y248-L365 HydrophobicContact CE2-CD2 3.95Å; I361-L365 HydrophobicContact CG2-CD1 3.96Å; I361-L365 HydrophobicContact CG2-CG 4.17Å; I361-L365 VanDerWaalsContact O-CG 3.32Å; I361-L365 WeakPolarHBondContact O-CG 3.37Å; I361-L365 PolarHBondContact O-N 2.88Å; M362-L365 PolarHBondContact O-N 3.43Å; L365-L494 WeakPolarHBondContact O-CD1 3.48Å; L365-D498 HydrophobicContact CD2-CB 3.98Å; L365-P501 HydrophobicContact CD1-CB 3.87Å; L365-Y502 HydrophobicContact CB-CD2 4.24Å; L365-Y505 HydrophobicContact CD1-CD2 3.86Å; L365-Y505 HydrophobicContact CD1-CE2 4.18Å |
| 366 | S | 91.3 | Very high | 89.8 | Confident | 7 Ų | 7 | 36.9 Ų | 36.9 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | trans | -153.7 | 102.7 | 175.5 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | M362 Q368 L369 T370 | M362-S366 CarbonylContact O-C 3.32Å; M362-S366 PolarHBondContact O-N 2.81Å; S366-Q368 PolarHBondContact O-N 3.44Å; S366-L369 PolarHBondContact O-N 3.06Å; S366-L369 WeakPolarHBondContact OG-CG 3.44Å; S366-L369 PolarHBondContact OG-N 3.17Å; S366-L369 VanDerWaalsContact OG-N 3.17Å; S366-T370 WeakPolarHBondContact O-CB 3.48Å; S366-T370 PolarHBondContact O-N 3.17Å; S366-T370 PolarHBondContact O-OG1 3.05Å | ||
| 367 | W | 89.6 | Confident | 89.1 | Confident | 93 Ų | 93 | 36.6 Ų | 36.6 | 35% | 0.352 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.4 | -33.5 | 173.8 | 74.7 | -93.7 | 0 | 0 | 0 | 111.1 | L106 W123 A363 T370 V371 | L106-W367 HydrophobicContact CD1-CH2 3.94Å; L106-W367 HydrophobicContact CD1-CZ3 3.85Å; L106-W367 HydrophobicContact CD2-CZ3 3.8Å; L106-W367 HydrophobicContact CG-CH2 4.18Å; L106-W367 HydrophobicContact CG-CZ3 3.73Å; W123-W367 AromaticContact CH2-CE3 3.96Å; W123-W367 HydrophobicContact CH2-CE3 3.96Å; W123-W367 AromaticContact CH2-CZ3 3.99Å; W123-W367 HydrophobicContact CH2-CZ3 3.99Å; W123-W367 HydrophobicContact CZ2-CE3 4.26Å; W123-W367 HydrophobicContact CZ2-CZ3 4.13Å; A363-W367 PolarHBondContact O-N 3.28Å; A363-W367 VanDerWaalsContact O-N 3.16Å; W367-T370 PolarHBondContact O-N 3.44Å; W367-V371 HydrophobicContact CE3-CG2 3.92Å; W367-V371 HydrophobicContact CZ3-CG2 4.21Å; W367-V371 WeakPolarHBondContact O-CB 3.24Å; W367-V371 VanDerWaalsContact O-CG2 3.28Å; W367-V371 WeakPolarHBondContact O-CG2 3.38Å; W367-V371 PolarHBondContact O-N 3.08Å |
| 368 | Q | 89.3 | Confident | 88.3 | Confident | 12 Ų | 12 | 36.5 Ų | 36.5 | 6% | 0.056 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.2 | -50.3 | 177.1 | -68.8 | 165.7 | -37.4 | 0 | 0 | 111.7 | L107 S366 T370 V371 M372 Y484 L488 | L107-Q368 HydrophobicContact CD2-CB 3.99Å; L107-Q368 HydrophobicContact CD2-CG 4.4Å; L107-Q368 WeakPolarHBondContact CD2-O 3.25Å; S366-Q368 PolarHBondContact O-N 3.44Å; Q368-T370 VanDerWaalsContact C-N 3.28Å; Q368-T370 PolarHBondContact O-N 3.11Å; Q368-V371 PolarHBondContact O-N 3Å; Q368-M372 PolarHBondContact O-N 3.36Å; Q368-Y484 HydrophobicContact CB-CE1 4.47Å; Q368-L488 HydrophobicContact CB-CD1 4.05Å; Q368-L488 VanDerWaalsContact OE1-CD2 3.24Å |
| 369 | L | 89.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.6 | -35.3 | 175.8 | -68 | 171.5 | 0 | 0 | 0 | 111.6 | S366 M372 N373 V481 Y484 L488 L494 L499 Y502 | S366-L369 PolarHBondContact O-N 3.06Å; S366-L369 WeakPolarHBondContact OG-CG 3.44Å; S366-L369 PolarHBondContact OG-N 3.17Å; S366-L369 VanDerWaalsContact OG-N 3.17Å; L369-M372 VanDerWaalsContact O-CB 3.29Å; L369-M372 WeakPolarHBondContact O-CB 3.07Å; L369-M372 PolarHBondContact O-N 3.41Å; L369-N373 PolarHBondContact O-N 3.5Å; L369-V481 HydrophobicContact CD2-CG1 4.31Å; L369-Y484 HydrophobicContact CD2-CD1 3.7Å; L369-Y484 HydrophobicContact CD2-CE1 4.47Å; L369-L488 HydrophobicContact CD2-CD1 4.17Å; L369-L488 HydrophobicContact CG-CD1 3.99Å; L369-L494 HydrophobicContact CD1-CD2 3.71Å; L369-L499 HydrophobicContact CD1-CD1 4.38Å; L369-Y502 HydrophobicContact CB-CD1 4.37Å; L369-Y502 HydrophobicContact CB-CD2 4.37Å; L369-Y502 HydrophobicContact CB-CE1 3.66Å; L369-Y502 HydrophobicContact CB-CE2 3.65Å; L369-Y502 WeakPolarHBondContact CB-OH 3.5Å; L369-Y502 HydrophobicContact CD1-CD1 3.89Å; L369-Y502 HydrophobicContact CD1-CD2 4.29Å; L369-Y502 HydrophobicContact CD1-CE1 4.01Å; L369-Y502 HydrophobicContact CD1-CE2 4.38Å; L369-Y502 HydrophobicContact CD1-CG 4.07Å; L369-Y502 HydrophobicContact CG-CE1 4.4Å; L369-Y502 PolarHBondContact O-OH 3.35Å |
| 370 | T | 90.5 | Very high | 86.8 | Confident | 9 Ų | 9 | 38.8 Ų | 38.8 | 6% | 0.055 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65 | -43 | 178 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | M362 A363 S366 W367 Q368 M372 N373 F374 Y502 | M362-T370 PolarHBondContact O-OG1 3.48Å; M362-T370 VanDerWaalsContact O-OG1 3.11Å; A363-T370 WeakPolarHBondContact CA-OG1 3.44Å; A363-T370 HydrophobicContact CB-CG2 4.33Å; A363-T370 PolarHBondContact N-OG1 3.11Å; S366-T370 WeakPolarHBondContact O-CB 3.48Å; S366-T370 PolarHBondContact O-N 3.17Å; S366-T370 PolarHBondContact O-OG1 3.05Å; W367-T370 PolarHBondContact O-N 3.44Å; Q368-T370 VanDerWaalsContact C-N 3.28Å; Q368-T370 PolarHBondContact O-N 3.11Å; T370-M372 VanDerWaalsContact C-N 3.29Å; T370-M372 PolarHBondContact O-N 2.9Å; T370-N373 WeakPolarHBondContact O-CB 3.31Å; T370-N373 PolarHBondContact O-N 3.45Å; T370-F374 HydrophobicContact CG2-CE2 4.12Å; T370-F374 VanDerWaalsContact O-CD2 3.24Å; T370-F374 WeakPolarHBondContact O-CD2 3.45Å; T370-F374 PolarHBondContact O-N 2.9Å; T370-Y502 VanDerWaalsContact CA-OH 3.3Å; T370-Y502 WeakPolarHBondContact CA-OH 3.36Å; T370-Y502 PolarHBondContact N-OH 3.23Å |
| 371 | V | 86.9 | Confident | 85.8 | Confident | 13 Ų | 13 | 36.7 Ų | 36.7 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61 | -38.9 | 172.3 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | P103 L106 L107 W367 Q368 N373 F374 I375 | P103-V371 HydrophobicContact CB-CG1 3.37Å; L106-V371 HydrophobicContact CD2-CG1 3.91Å; L106-V371 HydrophobicContact CD2-CG2 3.83Å; L106-V371 HydrophobicContact CG-CG1 4.48Å; L107-V371 HydrophobicContact CD1-CG1 4.46Å; L107-V371 HydrophobicContact CD2-CG1 4.38Å; L107-V371 HydrophobicContact CG-CG1 4.12Å; W367-V371 HydrophobicContact CE3-CG2 3.92Å; W367-V371 HydrophobicContact CZ3-CG2 4.21Å; W367-V371 WeakPolarHBondContact O-CB 3.24Å; W367-V371 VanDerWaalsContact O-CG2 3.28Å; W367-V371 WeakPolarHBondContact O-CG2 3.38Å; W367-V371 PolarHBondContact O-N 3.08Å; Q368-V371 PolarHBondContact O-N 3Å; V371-N373 VanDerWaalsContact C-N 3.34Å; V371-N373 PolarHBondContact O-N 3.38Å; V371-F374 WeakPolarHBondContact O-CB 3.4Å; V371-F374 PolarHBondContact O-N 3.43Å; V371-F374 VanDerWaalsContact O-N 3.14Å; V371-I375 PolarHBondContact O-N 2.89Å |
| 372 | M | 85.6 | Confident | 85 | Confident | 35 Ų | 35 | 37.4 Ų | 37.4 | 17% | 0.172 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.6 | -42.3 | 173.4 | -174 | 69.5 | 79.7 | 0 | 0 | 111.9 | L107 Q368 L369 T370 F374 I375 I480 Y484 | L107-M372 HydrophobicContact CD1-CB 4.29Å; L107-M372 HydrophobicContact CD1-CE 3.59Å; L107-M372 HydrophobicContact CD1-SD 3.99Å; Q368-M372 PolarHBondContact O-N 3.36Å; L369-M372 VanDerWaalsContact O-CB 3.29Å; L369-M372 WeakPolarHBondContact O-CB 3.07Å; L369-M372 PolarHBondContact O-N 3.41Å; T370-M372 VanDerWaalsContact C-N 3.29Å; T370-M372 PolarHBondContact O-N 2.9Å; M372-F374 PolarHBondContact O-N 3.49Å; M372-I375 VanDerWaalsContact O-CB 3.28Å; M372-I375 WeakPolarHBondContact O-CB 3.14Å; M372-I375 PolarHBondContact O-N 2.89Å; M372-I375 HydrophobicContact SD-CD1 3.8Å; M372-I480 HydrophobicContact CG-CG2 4.15Å; M372-I480 HydrophobicContact SD-CG2 4.32Å; M372-Y484 HydrophobicContact CE-CD1 3.64Å; M372-Y484 HydrophobicContact CE-CD2 4.39Å; M372-Y484 HydrophobicContact CE-CE1 3.92Å; M372-Y484 HydrophobicContact CE-CG 3.92Å |
| 373 | N | 84.3 | Confident | 84.1 | Confident | 24 Ų | 24 | 39.7 Ų | 39.7 | 13% | 0.128 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -31.4 | 176.1 | -78.8 | -19.3 | 0 | 0 | 0 | 112.9 | M362 L369 T370 V371 I375 A376 F377 I477 Y502 | M362-N373 VanDerWaalsContact CE-ND2 3.3Å; M362-N373 WeakPolarHBondContact CE-ND2 3.2Å; L369-N373 PolarHBondContact O-N 3.5Å; T370-N373 WeakPolarHBondContact O-CB 3.31Å; T370-N373 PolarHBondContact O-N 3.45Å; V371-N373 VanDerWaalsContact C-N 3.34Å; V371-N373 PolarHBondContact O-N 3.38Å; N373-I375 VanDerWaalsContact C-N 3.27Å; N373-I375 PolarHBondContact O-N 2.73Å; N373-A376 PolarHBondContact O-N 2.94Å; N373-F377 PolarHBondContact O-N 2.67Å; N373-I477 VanDerWaalsContact OD1-CG2 3.3Å; N373-I477 WeakPolarHBondContact OD1-CG2 3.44Å; N373-Y502 PolarHBondContact ND2-OH 3.05Å |
| 374 | F | 84.1 | Confident | 83 | Confident | 112 Ų | 112 | 38.4 Ų | 38.4 | 49% | 0.491 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -69.2 | -19.8 | 173.1 | -77.7 | -73.8 | 0 | 0 | 0 | 113.8 | T370 V371 M372 P378 | T370-F374 HydrophobicContact CG2-CE2 4.12Å; T370-F374 VanDerWaalsContact O-CD2 3.24Å; T370-F374 WeakPolarHBondContact O-CD2 3.45Å; T370-F374 PolarHBondContact O-N 2.9Å; V371-F374 WeakPolarHBondContact O-CB 3.4Å; V371-F374 PolarHBondContact O-N 3.43Å; V371-F374 VanDerWaalsContact O-N 3.14Å; M372-F374 PolarHBondContact O-N 3.49Å; F374-P378 WeakPolarHBondContact O-CD 3.38Å |
| 375 | I | 82.4 | Confident | 82.1 | Confident | 22 Ų | 22 | 38 Ų | 38 | 11% | 0.113 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.3 | -39.4 | 170 | -68.6 | 164.6 | 0 | 0 | 0 | 110.5 | I100 P103 M104 L107 V371 M372 N373 | I100-I375 HydrophobicContact CG2-CG2 3.8Å; P103-I375 HydrophobicContact CB-CD1 4.09Å; P103-I375 HydrophobicContact CB-CG1 3.68Å; P103-I375 HydrophobicContact CG-CD1 4.31Å; P103-I375 HydrophobicContact CG-CG1 3.48Å; P103-I375 VanDerWaalsContact CG-CG1 3.48Å; M104-I375 HydrophobicContact CG-CD1 3.67Å; M104-I375 HydrophobicContact CG-CG1 4.27Å; L107-I375 HydrophobicContact CD1-CD1 3.89Å; V371-I375 PolarHBondContact O-N 2.89Å; M372-I375 VanDerWaalsContact O-CB 3.28Å; M372-I375 WeakPolarHBondContact O-CB 3.14Å; M372-I375 PolarHBondContact O-N 2.89Å; M372-I375 HydrophobicContact SD-CD1 3.8Å; N373-I375 VanDerWaalsContact C-N 3.27Å; N373-I375 PolarHBondContact O-N 2.73Å |
| 376 | A | 77.8 | Confident | 81.4 | Confident | 14 Ų | 14 | 39.4 Ų | 39.4 | 12% | 0.116 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.8 | -36.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N373 L379 I380 F473 I477 | N373-A376 PolarHBondContact O-N 2.94Å; A376-L379 WeakPolarHBondContact O-CB 3.16Å; A376-L379 PolarHBondContact O-N 2.83Å; A376-I380 WeakPolarHBondContact O-CG1 3.34Å; A376-I380 PolarHBondContact O-N 3.23Å; A376-I380 VanDerWaalsContact O-N 3.14Å; A376-F473 HydrophobicContact CB-CE1 3.71Å; A376-F473 HydrophobicContact CB-CZ 3.79Å; A376-F473 WeakPolarHBondContact O-CZ 3.29Å; A376-I477 HydrophobicContact CB-CD1 3.97Å; A376-I477 HydrophobicContact CB-CG1 3.86Å |
| 377 | F | 78.1 | Confident | 80.6 | Confident | 93 Ų | 93 | 42.3 Ų | 42.3 | 41% | 0.408 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.9 | -48.8 | -174 | -171.6 | -93 | 0 | 0 | 0 | 114.7 | N373 L379 I380 V381 L513 | N373-F377 PolarHBondContact O-N 2.67Å; F377-L379 VanDerWaalsContact C-N 3.28Å; F377-L379 PolarHBondContact O-N 2.76Å; F377-I380 WeakPolarHBondContact O-CB 3.19Å; F377-I380 PolarHBondContact O-N 3.5Å; F377-V381 HydrophobicContact CD1-CG2 4.22Å; F377-V381 HydrophobicContact CE1-CG2 3.92Å; F377-V381 HydrophobicContact CZ-CG2 4.32Å; F377-V381 WeakPolarHBondContact O-CG2 3.38Å; F377-V381 PolarHBondContact O-N 3.33Å; F377-V381 VanDerWaalsContact O-N 3.1Å; F377-L513 HydrophobicContact CE2-CD1 4.45Å; F377-L513 HydrophobicContact CE2-CD2 4.49Å |
| 378 | P | 78.8 | Confident | 79.8 | Confident | 13 Ų | 13 | 38.2 Ų | 38.2 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -53.4 | -40 | 171.7 | -32.1 | 38.7 | 0 | 0 | 0 | 114.5 | L96 I100 F374 V381 L382 | L96-P378 HydrophobicContact CB-CB 4.1Å; L96-P378 HydrophobicContact CD2-CB 3.6Å; L96-P378 HydrophobicContact CG-CB 4.39Å; I100-P378 HydrophobicContact CD1-CB 4.07Å; I100-P378 HydrophobicContact CG1-CB 3.92Å; I100-P378 HydrophobicContact CG1-CG 4.15Å; F374-P378 WeakPolarHBondContact O-CD 3.38Å; P378-V381 PolarHBondContact O-N 3.4Å; P378-L382 PolarHBondContact O-N 3.46Å |
| 379 | L | 78.7 | Confident | 79.1 | Confident | 72 Ų | 72 | 41 Ų | 41 | 38% | 0.377 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.5 | -43.1 | 179.7 | -68.5 | 167.9 | 0 | 0 | 0 | 110.9 | I100 A376 F377 V381 L382 I383 F473 | I100-L379 HydrophobicContact CD1-CD1 4.36Å; I100-L379 HydrophobicContact CD1-CD2 3.73Å; I100-L379 HydrophobicContact CD1-CG 3.7Å; A376-L379 WeakPolarHBondContact O-CB 3.16Å; A376-L379 PolarHBondContact O-N 2.83Å; F377-L379 VanDerWaalsContact C-N 3.28Å; F377-L379 PolarHBondContact O-N 2.76Å; L379-V381 PolarHBondContact O-N 2.88Å; L379-L382 PolarHBondContact O-N 3.1Å; L379-I383 VanDerWaalsContact O-CG1 3.29Å; L379-I383 WeakPolarHBondContact O-CG1 3.1Å; L379-I383 PolarHBondContact O-N 3.31Å; L379-I383 VanDerWaalsContact O-N 3.11Å; L379-F473 HydrophobicContact CB-CZ 4.37Å |
| 380 | I | 76 | Confident | 78.6 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.3 | -53.6 | 173.4 | -58.6 | 171.5 | 0 | 0 | 0 | 109.6 | A376 F377 L382 I383 S384 A459 L460 F473 | A376-I380 WeakPolarHBondContact O-CG1 3.34Å; A376-I380 PolarHBondContact O-N 3.23Å; A376-I380 VanDerWaalsContact O-N 3.14Å; F377-I380 WeakPolarHBondContact O-CB 3.19Å; F377-I380 PolarHBondContact O-N 3.5Å; I380-L382 VanDerWaalsContact C-N 3.26Å; I380-L382 PolarHBondContact O-N 2.97Å; I380-I383 PolarHBondContact O-N 2.94Å; I380-S384 VanDerWaalsContact O-CB 3.3Å; I380-S384 WeakPolarHBondContact O-CB 3.33Å; I380-S384 PolarHBondContact O-N 3.2Å; I380-S384 PolarHBondContact O-OG 3.05Å; I380-A459 HydrophobicContact CG2-CB 3.94Å; I380-L460 HydrophobicContact CG2-CB 4.11Å; I380-L460 HydrophobicContact CG2-CD2 4.47Å; I380-F473 HydrophobicContact CD1-CD1 3.45Å; I380-F473 VanDerWaalsContact CD1-CD1 3.45Å; I380-F473 HydrophobicContact CD1-CE1 3.3Å; I380-F473 HydrophobicContact CD1-CZ 4.25Å; I380-F473 HydrophobicContact CG1-CD1 3.33Å; I380-F473 HydrophobicContact CG1-CD2 4.41Å; I380-F473 HydrophobicContact CG1-CE1 3.05Å; I380-F473 HydrophobicContact CG1-CE2 4.2Å; I380-F473 HydrophobicContact CG1-CG 4.03Å; I380-F473 HydrophobicContact CG1-CZ 3.54Å |
| 381 | V | 74.8 | Confident | 78.1 | Confident | 51 Ų | 51 | 48.6 Ų | 48.6 | 31% | 0.309 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.2 | -39.1 | -176.2 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | F377 P378 L379 K385 | F377-V381 HydrophobicContact CD1-CG2 4.22Å; F377-V381 HydrophobicContact CE1-CG2 3.92Å; F377-V381 HydrophobicContact CZ-CG2 4.32Å; F377-V381 WeakPolarHBondContact O-CG2 3.38Å; F377-V381 PolarHBondContact O-N 3.33Å; F377-V381 VanDerWaalsContact O-N 3.1Å; P378-V381 PolarHBondContact O-N 3.4Å; L379-V381 PolarHBondContact O-N 2.88Å; V381-K385 WeakPolarHBondContact O-CB 3.43Å; V381-K385 PolarHBondContact O-N 3.4Å |
| 382 | L | 76.9 | Confident | 77.6 | Confident | 37 Ų | 37 | 53.6 Ų | 53.6 | 19% | 0.194 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.8 | -54.4 | 176.6 | -172.6 | 52.8 | 0 | 0 | 0 | 111.7 | L89 L92 L96 P378 L379 I380 S384 K385 V386 | L89-L382 HydrophobicContact CD1-CD1 4.06Å; L92-L382 HydrophobicContact CD2-CD1 4.5Å; L96-L382 HydrophobicContact CD1-CB 3.61Å; L96-L382 HydrophobicContact CD1-CD1 3.95Å; L96-L382 HydrophobicContact CD1-CD2 4.38Å; L96-L382 HydrophobicContact CD1-CG 4.17Å; P378-L382 PolarHBondContact O-N 3.46Å; L379-L382 PolarHBondContact O-N 3.1Å; I380-L382 VanDerWaalsContact C-N 3.26Å; I380-L382 PolarHBondContact O-N 2.97Å; L382-S384 VanDerWaalsContact C-N 3.31Å; L382-S384 PolarHBondContact O-N 2.65Å; L382-K385 PolarHBondContact O-N 2.88Å; L382-K385 VanDerWaalsContact O-N 3.13Å; L382-V386 HydrophobicContact CD1-CG2 4.34Å; L382-V386 WeakPolarHBondContact O-CG2 3.49Å; L382-V386 PolarHBondContact O-N 3.24Å |
| 383 | I | 74.8 | Confident | 77.4 | Confident | 48 Ų | 48 | 53.2 Ų | 53.2 | 25% | 0.246 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.8 | -44.3 | -175.9 | -64.4 | 166.7 | 0 | 0 | 0 | 109.5 | L379 I380 K385 V386 F387 L456 | L379-I383 VanDerWaalsContact O-CG1 3.29Å; L379-I383 WeakPolarHBondContact O-CG1 3.1Å; L379-I383 PolarHBondContact O-N 3.31Å; L379-I383 VanDerWaalsContact O-N 3.11Å; I380-I383 PolarHBondContact O-N 2.94Å; I383-K385 VanDerWaalsContact C-N 3.32Å; I383-K385 PolarHBondContact O-N 2.88Å; I383-V386 PolarHBondContact O-N 3Å; I383-F387 HydrophobicContact CG2-CD2 3.99Å; I383-F387 HydrophobicContact CG2-CE2 4.44Å; I383-F387 WeakPolarHBondContact O-CD2 3.42Å; I383-F387 PolarHBondContact O-N 3.49Å; I383-L456 HydrophobicContact CG2-CB 3.91Å; I383-L456 HydrophobicContact CG2-CD2 4.26Å |
| 384 | S | 70.5 | Confident | 77.3 | Confident | 16 Ų | 16 | 52.5 Ų | 52.5 | 11% | 0.112 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.1 | -43.3 | 174.8 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | I380 L382 G388 N457 | I380-S384 VanDerWaalsContact O-CB 3.3Å; I380-S384 WeakPolarHBondContact O-CB 3.33Å; I380-S384 PolarHBondContact O-N 3.2Å; I380-S384 PolarHBondContact O-OG 3.05Å; L382-S384 VanDerWaalsContact C-N 3.31Å; L382-S384 PolarHBondContact O-N 2.65Å; S384-G388 WeakPolarHBondContact O-CA 3.48Å; S384-G388 PolarHBondContact O-N 3.19Å; S384-N457 WeakPolarHBondContact CA-OD1 3.37Å; S384-N457 PolarHBondContact N-OD1 3.26Å; S384-N457 PolarHBondContact OG-OD1 2.92Å |
| 385 | K | 72.7 | Confident | 77.2 | Confident | 85 Ų | 85 | 48.3 Ų | 48.3 | 37% | 0.37 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.2 | -41.8 | 179.4 | -167.4 | -178.6 | -176.5 | 179.2 | 0 | 112.8 | L92 V381 L382 I383 S389 | L92-K385 HydrophobicContact CD2-CD 3.27Å; V381-K385 WeakPolarHBondContact O-CB 3.43Å; V381-K385 PolarHBondContact O-N 3.4Å; L382-K385 PolarHBondContact O-N 2.88Å; L382-K385 VanDerWaalsContact O-N 3.13Å; I383-K385 VanDerWaalsContact C-N 3.32Å; I383-K385 PolarHBondContact O-N 2.88Å; K385-S389 VanDerWaalsContact O-CB 3.3Å; K385-S389 WeakPolarHBondContact O-CB 3.14Å; K385-S389 PolarHBondContact O-N 3.12Å; K385-S389 PolarHBondContact O-OG 3.32Å |
| 386 | V | 76.7 | Confident | 77.3 | Confident | 49 Ų | 49 | 53.5 Ų | 53.5 | 30% | 0.297 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.8 | -55.1 | -179.3 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | L89 L382 I383 S389 | L89-V386 HydrophobicContact CD1-CG2 3.44Å; L89-V386 VanDerWaalsContact CD1-CG2 3.44Å; L89-V386 HydrophobicContact CD2-CG2 3.68Å; L89-V386 HydrophobicContact CG-CG2 4.06Å; L382-V386 HydrophobicContact CD1-CG2 4.34Å; L382-V386 WeakPolarHBondContact O-CG2 3.49Å; L382-V386 PolarHBondContact O-N 3.24Å; I383-V386 PolarHBondContact O-N 3Å; V386-S389 PolarHBondContact O-OG 3.01Å |
| 387 | F | 73.9 | Confident | 77.7 | Confident | 68 Ų | 68 | 61 Ų | 61 | 30% | 0.298 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -81.7 | -34.9 | -174.7 | -72.1 | -88.5 | 0 | 0 | 0 | 112.2 | I383 Y390 Y391 A452 Y453 L456 | I383-F387 HydrophobicContact CG2-CD2 3.99Å; I383-F387 HydrophobicContact CG2-CE2 4.44Å; I383-F387 WeakPolarHBondContact O-CD2 3.42Å; I383-F387 PolarHBondContact O-N 3.49Å; F387-Y390 PolarHBondContact O-N 2.82Å; F387-Y391 WeakPolarHBondContact O-CB 3.45Å; F387-Y391 PolarHBondContact O-N 3.47Å; F387-A452 HydrophobicContact CD1-CB 4.49Å; F387-A452 HydrophobicContact CE1-CB 4.39Å; F387-Y453 HydrophobicContact CB-CD2 3.99Å; F387-L456 HydrophobicContact CD1-CD1 3.78Å; F387-L456 HydrophobicContact CD2-CD1 3.74Å; F387-L456 HydrophobicContact CE1-CD1 3.39Å; F387-L456 HydrophobicContact CE2-CD1 3.37Å; F387-L456 HydrophobicContact CG-CD1 3.94Å; F387-L456 HydrophobicContact CZ-CD1 3.18Å |
| 388 | G | 72.9 | Confident | 78.2 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 7% | 0.072 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.7 | -47 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S384 Y390 Y391 E392 | S384-G388 WeakPolarHBondContact O-CA 3.48Å; S384-G388 PolarHBondContact O-N 3.19Å; G388-Y390 VanDerWaalsContact C-N 3.32Å; G388-Y390 PolarHBondContact O-N 2.92Å; G388-Y391 PolarHBondContact O-N 3.31Å; G388-E392 WeakPolarHBondContact O-CB 3.34Å; G388-E392 VanDerWaalsContact O-CG 3.31Å; G388-E392 WeakPolarHBondContact O-CG 3.25Å; G388-E392 PolarHBondContact O-N 2.92Å |
| 389 | S | 75.4 | Confident | 78.6 | Confident | 71 Ų | 71 | 61.3 Ų | 61.3 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.4 | -35.9 | 178.4 | 61.5 | 0 | 0 | 0 | 0 | 113.3 | K385 V386 G393 | K385-S389 VanDerWaalsContact O-CB 3.3Å; K385-S389 WeakPolarHBondContact O-CB 3.14Å; K385-S389 PolarHBondContact O-N 3.12Å; K385-S389 PolarHBondContact O-OG 3.32Å; V386-S389 PolarHBondContact O-OG 3.01Å; S389-G393 PolarHBondContact O-N 3.4Å |
| 390 | Y | 79.2 | Confident | 79 | Confident | 142 Ų | 142 | 65.3 Ų | 65.3 | 56% | 0.557 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67.7 | -44.1 | 174.6 | -179.1 | -107.8 | 0 | 0 | 0 | 111.9 | F387 G388 L394 A449 | F387-Y390 PolarHBondContact O-N 2.82Å; G388-Y390 VanDerWaalsContact C-N 3.32Å; G388-Y390 PolarHBondContact O-N 2.92Å; Y390-L394 PolarHBondContact O-N 2.96Å; Y390-A449 HydrophobicContact CD1-CB 4.04Å; Y390-A449 HydrophobicContact CE1-CB 3.72Å |
| 391 | Y | 79.4 | Confident | 79.7 | Confident | 25 Ų | 25 | 64.9 Ų | 64.9 | 10% | 0.098 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 176.8 | 179.5 | -82.4 | 0 | 0 | 0 | 111.8 | F387 G388 G393 L394 A395 K446 M450 M462 | F387-Y391 WeakPolarHBondContact O-CB 3.45Å; F387-Y391 PolarHBondContact O-N 3.47Å; G388-Y391 PolarHBondContact O-N 3.31Å; Y391-G393 PolarHBondContact O-N 3.29Å; Y391-L394 CarbonylContact O-C 3.58Å; Y391-L394 WeakPolarHBondContact O-CA 3.35Å; Y391-L394 WeakPolarHBondContact O-CB 3.41Å; Y391-L394 PolarHBondContact O-N 3.25Å; Y391-A395 HydrophobicContact CD1-CB 4.45Å; Y391-A395 HydrophobicContact CE1-CB 4.13Å; Y391-A395 PolarHBondContact O-N 3.41Å; Y391-K446 HydrophobicContact CE2-CG 4.13Å; Y391-K446 VanDerWaalsContact OH-CE 3.24Å; Y391-K446 WeakPolarHBondContact OH-CE 3.34Å; Y391-M450 HydrophobicContact CE2-CB 4Å; Y391-M450 HydrophobicContact CE2-CG 4.25Å; Y391-M462 HydrophobicContact CD1-CE 3.09Å; Y391-M462 HydrophobicContact CD1-SD 3.73Å; Y391-M462 HydrophobicContact CE1-CE 3.24Å; Y391-M462 HydrophobicContact CE1-SD 3.14Å; Y391-M462 WeakPolarHBondContact CE1-SD 3.31Å; Y391-M462 HydrophobicContact CG-CE 4.02Å |
| 392 | E | 76.8 | Confident | 80.5 | Confident | 118 Ų | 118 | 65.3 Ų | 65.3 | 55% | 0.551 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -57 | -47.3 | 177.9 | -78.2 | 176.6 | -179.5 | 0 | 0 | 111.5 | G388 L394 A395 E396 | G388-E392 WeakPolarHBondContact O-CB 3.34Å; G388-E392 VanDerWaalsContact O-CG 3.31Å; G388-E392 WeakPolarHBondContact O-CG 3.25Å; G388-E392 PolarHBondContact O-N 2.92Å; E392-L394 PolarHBondContact O-N 3.24Å; E392-A395 WeakPolarHBondContact O-CB 3.35Å; E392-A395 PolarHBondContact O-N 2.77Å; E392-A395 VanDerWaalsContact O-N 3.16Å; E392-E396 PolarHBondContact O-N 2.89Å |
| 393 | G | 81 | Confident | 81.1 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 28% | 0.278 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.5 | -28.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S389 Y391 R397 | S389-G393 PolarHBondContact O-N 3.4Å; Y391-G393 PolarHBondContact O-N 3.29Å; G393-R397 VanDerWaalsContact O-CG 3.3Å; G393-R397 WeakPolarHBondContact O-CG 3.38Å; G393-R397 PolarHBondContact O-N 3.2Å |
| 394 | L | 83.4 | Confident | 81.9 | Confident | 10 Ų | 10 | 66.9 Ų | 66.9 | 5% | 0.052 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -82 | -33.5 | 176.3 | -167 | 49.4 | 0 | 0 | 0 | 112.4 | Y390 Y391 E392 T398 I442 K445 K446 A449 | Y390-L394 PolarHBondContact O-N 2.96Å; Y391-L394 CarbonylContact O-C 3.58Å; Y391-L394 WeakPolarHBondContact O-CA 3.35Å; Y391-L394 WeakPolarHBondContact O-CB 3.41Å; Y391-L394 PolarHBondContact O-N 3.25Å; E392-L394 PolarHBondContact O-N 3.24Å; L394-T398 WeakPolarHBondContact O-CB 3.37Å; L394-T398 PolarHBondContact O-N 3.4Å; L394-T398 PolarHBondContact O-OG1 3.17Å; L394-I442 HydrophobicContact CD1-CG2 3.71Å; L394-K445 HydrophobicContact CD1-CB 4.34Å; L394-K445 VanDerWaalsContact CD2-C 3.46Å; L394-K445 HydrophobicContact CD2-CB 3.95Å; L394-K445 WeakPolarHBondContact CD2-O 3.48Å; L394-K446 HydrophobicContact CD2-CB 4.01Å; L394-K446 HydrophobicContact CG-CB 3.88Å; L394-K446 HydrophobicContact CG-CG 4.26Å; L394-A449 HydrophobicContact CD2-CB 3.92Å |
| 395 | A | 81.8 | Confident | 82.9 | Confident | 24 Ų | 24 | 66.6 Ų | 66.6 | 20% | 0.198 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.9 | -45 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y391 E392 R397 T398 Q399 | Y391-A395 HydrophobicContact CD1-CB 4.45Å; Y391-A395 HydrophobicContact CE1-CB 4.13Å; Y391-A395 PolarHBondContact O-N 3.41Å; E392-A395 WeakPolarHBondContact O-CB 3.35Å; E392-A395 PolarHBondContact O-N 2.77Å; E392-A395 VanDerWaalsContact O-N 3.16Å; A395-R397 PolarHBondContact O-N 3.08Å; A395-T398 WeakPolarHBondContact O-CB 3.25Å; A395-T398 PolarHBondContact O-N 2.81Å; A395-T398 VanDerWaalsContact O-N 3.12Å; A395-Q399 PolarHBondContact O-N 3.03Å |
| 396 | E | 83.1 | Confident | 83.9 | Confident | 130 Ų | 130 | 65.8 Ų | 65.8 | 61% | 0.607 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -58.5 | -47.5 | 175.2 | -173.7 | -178.1 | -172 | 0 | 0 | 111.5 | E392 T398 Q399 Y400 | E392-E396 PolarHBondContact O-N 2.89Å; E396-T398 VanDerWaalsContact C-N 3.27Å; E396-T398 PolarHBondContact O-N 3.19Å; E396-Q399 PolarHBondContact O-N 3.44Å; E396-Y400 PolarHBondContact O-N 3.34Å |
| 397 | R | 87.3 | Confident | 84.7 | Confident | 173 Ų | 173 | 66.6 Ų | 66.6 | 65% | 0.653 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61 | -35.7 | 175.1 | -73.6 | 173.2 | -177.9 | -179.3 | 1.3 | 113 | G393 A395 A401 I442 | G393-R397 VanDerWaalsContact O-CG 3.3Å; G393-R397 WeakPolarHBondContact O-CG 3.38Å; G393-R397 PolarHBondContact O-N 3.2Å; A395-R397 PolarHBondContact O-N 3.08Å; R397-A401 VanDerWaalsContact O-CB 3.31Å; R397-A401 WeakPolarHBondContact O-CB 3.43Å; R397-A401 PolarHBondContact O-N 3.27Å; R397-I442 HydrophobicContact CB-CG2 4.34Å |
| 398 | T | 88 | Confident | 85.6 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.3 | -46.1 | 177.5 | -55.8 | 0 | 0 | 0 | 0 | 110.6 | L394 A395 E396 A401 L402 I442 F443 K446 | L394-T398 WeakPolarHBondContact O-CB 3.37Å; L394-T398 PolarHBondContact O-N 3.4Å; L394-T398 PolarHBondContact O-OG1 3.17Å; A395-T398 WeakPolarHBondContact O-CB 3.25Å; A395-T398 PolarHBondContact O-N 2.81Å; A395-T398 VanDerWaalsContact O-N 3.12Å; E396-T398 VanDerWaalsContact C-N 3.27Å; E396-T398 PolarHBondContact O-N 3.19Å; T398-A401 PolarHBondContact O-N 2.83Å; T398-L402 HydrophobicContact CG2-CD1 4.17Å; T398-L402 WeakPolarHBondContact O-CB 3.16Å; T398-L402 WeakPolarHBondContact O-CG 3.42Å; T398-L402 PolarHBondContact O-N 2.96Å; T398-I442 WeakPolarHBondContact OG1-CG2 3.29Å; T398-F443 HydrophobicContact CG2-CD2 3.85Å; T398-F443 HydrophobicContact CG2-CE1 4.18Å; T398-F443 HydrophobicContact CG2-CE2 3.34Å; T398-F443 HydrophobicContact CG2-CG 4.48Å; T398-F443 HydrophobicContact CG2-CZ 3.53Å; T398-K446 HydrophobicContact CG2-CD 4.41Å |
| 399 | Q | 86.6 | Confident | 86.7 | Confident | 109 Ų | 109 | 64.8 Ų | 64.8 | 51% | 0.509 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 176.3 | -70.9 | -64.7 | -5.2 | 0 | 0 | 111.7 | A395 E396 A401 L402 A403 | A395-Q399 PolarHBondContact O-N 3.03Å; E396-Q399 PolarHBondContact O-N 3.44Å; Q399-A401 PolarHBondContact O-N 2.78Å; Q399-L402 PolarHBondContact O-N 3.42Å; Q399-A403 WeakPolarHBondContact O-CB 3.4Å; Q399-A403 PolarHBondContact O-N 3.17Å |
| 400 | Y | 88.9 | Confident | 87.7 | Confident | 156 Ų | 156 | 67.9 Ų | 67.9 | 61% | 0.612 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.9 | -43.5 | 175.8 | -178.5 | -96.3 | 0 | 0 | 0 | 112.6 | E396 A403 K404 | E396-Y400 PolarHBondContact O-N 3.34Å; Y400-A403 PolarHBondContact O-N 3.48Å; Y400-K404 HydrophobicContact CD1-CG 4.45Å; Y400-K404 HydrophobicContact CE1-CG 4.02Å; Y400-K404 WeakPolarHBondContact O-CG 3.34Å; Y400-K404 PolarHBondContact O-N 3.39Å |
| 401 | A | 89.8 | Confident | 88.5 | Confident | 15 Ų | 15 | 65.6 Ų | 65.6 | 12% | 0.124 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.9 | -38.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R397 T398 Q399 K404 S405 I439 I442 | R397-A401 VanDerWaalsContact O-CB 3.31Å; R397-A401 WeakPolarHBondContact O-CB 3.43Å; R397-A401 PolarHBondContact O-N 3.27Å; T398-A401 PolarHBondContact O-N 2.83Å; Q399-A401 PolarHBondContact O-N 2.78Å; A401-K404 PolarHBondContact O-N 3.39Å; A401-S405 PolarHBondContact O-N 3.08Å; A401-S405 VanDerWaalsContact O-N 3.12Å; A401-I439 HydrophobicContact CB-CG1 3.69Å; A401-I439 WeakPolarHBondContact O-CD1 3.39Å; A401-I442 HydrophobicContact CB-CD1 3.82Å |
| 402 | L | 91.8 | Very high | 89.3 | Confident | 60 Ų | 60 | 65.8 Ų | 65.8 | 31% | 0.314 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 173.4 | -79.3 | 167.8 | 0 | 0 | 0 | 111.6 | T398 Q399 K404 S405 S406 I439 F443 | T398-L402 HydrophobicContact CG2-CD1 4.17Å; T398-L402 WeakPolarHBondContact O-CB 3.16Å; T398-L402 WeakPolarHBondContact O-CG 3.42Å; T398-L402 PolarHBondContact O-N 2.96Å; Q399-L402 PolarHBondContact O-N 3.42Å; L402-K404 VanDerWaalsContact C-N 3.29Å; L402-K404 PolarHBondContact O-N 2.86Å; L402-S405 PolarHBondContact O-N 3.12Å; L402-S405 PolarHBondContact O-OG 3.22Å; L402-S406 PolarHBondContact O-N 2.8Å; L402-S406 PolarHBondContact O-OG 2.83Å; L402-I439 HydrophobicContact CD2-CD1 4.35Å; L402-I439 HydrophobicContact CD2-CG2 4.33Å; L402-F443 HydrophobicContact CD1-CE2 4.41Å; L402-F443 HydrophobicContact CD1-CZ 4.48Å |
| 403 | A | 90 | Very high | 90.2 | Very high | 47 Ų | 47 | 66 Ų | 66 | 39% | 0.388 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -54.6 | -46.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | Q399 Y400 S405 S406 D407 | Q399-A403 WeakPolarHBondContact O-CB 3.4Å; Q399-A403 PolarHBondContact O-N 3.17Å; Y400-A403 PolarHBondContact O-N 3.48Å; A403-S405 VanDerWaalsContact C-N 3.27Å; A403-S405 PolarHBondContact O-N 3.35Å; A403-S406 WeakPolarHBondContact O-CB 3.39Å; A403-S406 PolarHBondContact O-N 3.02Å; A403-D407 VanDerWaalsContact O-CG 3.25Å; A403-D407 PolarHBondContact O-N 3.28Å |
| 404 | K | 90 | Very high | 90.9 | Very high | 71 Ų | 71 | 68.7 Ų | 68.7 | 31% | 0.309 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.6 | -28 | 176.3 | -72.9 | -74.2 | 153.5 | -135 | 0 | 114.5 | Y400 A401 L402 D407 V408 | Y400-K404 HydrophobicContact CD1-CG 4.45Å; Y400-K404 HydrophobicContact CE1-CG 4.02Å; Y400-K404 WeakPolarHBondContact O-CG 3.34Å; Y400-K404 PolarHBondContact O-N 3.39Å; A401-K404 PolarHBondContact O-N 3.39Å; L402-K404 VanDerWaalsContact C-N 3.29Å; L402-K404 PolarHBondContact O-N 2.86Å; K404-D407 IonicContact NZ-OD2 2.74Å; K404-D407 PolarHBondContact NZ-OD2 3.13Å; K404-V408 WeakPolarHBondContact O-CG2 3.34Å |
| 405 | S | 92.8 | Very high | 91.5 | Very high | 9 Ų | 9 | 72 Ų | 72 | 6% | 0.063 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -76.7 | -37.2 | 171.5 | 61.2 | 0 | 0 | 0 | 0 | 112.5 | A401 L402 A403 V408 A409 F432 I439 | A401-S405 PolarHBondContact O-N 3.08Å; A401-S405 VanDerWaalsContact O-N 3.12Å; L402-S405 PolarHBondContact O-N 3.12Å; L402-S405 PolarHBondContact O-OG 3.22Å; A403-S405 VanDerWaalsContact C-N 3.27Å; A403-S405 PolarHBondContact O-N 3.35Å; S405-V408 PolarHBondContact O-N 3.1Å; S405-A409 PolarHBondContact O-N 3.34Å; S405-A409 VanDerWaalsContact O-N 3.09Å; S405-F432 WeakPolarHBondContact O-CE2 3.27Å; S405-I439 WeakPolarHBondContact OG-CD1 3.28Å |
| 406 | S | 93.8 | Very high | 92.3 | Very high | 68 Ų | 68 | 74.6 Ų | 74.6 | 48% | 0.476 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 174.8 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | L402 A403 V408 A409 E410 | L402-S406 PolarHBondContact O-N 2.8Å; L402-S406 PolarHBondContact O-OG 2.83Å; A403-S406 WeakPolarHBondContact O-CB 3.39Å; A403-S406 PolarHBondContact O-N 3.02Å; S406-V408 PolarHBondContact O-N 3.06Å; S406-A409 PolarHBondContact O-N 3.36Å; S406-E410 WeakPolarHBondContact O-CB 3.43Å; S406-E410 PolarHBondContact O-N 3.07Å |
| 407 | D | 92.7 | Very high | 93 | Very high | 67 Ų | 67 | 79 Ų | 79 | 36% | 0.358 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -52.4 | -44.9 | 174.2 | -65.6 | -9.8 | 0 | 0 | 0 | 111.1 | A403 K404 E411 | A403-D407 VanDerWaalsContact O-CG 3.25Å; A403-D407 PolarHBondContact O-N 3.28Å; K404-D407 IonicContact NZ-OD2 2.74Å; K404-D407 PolarHBondContact NZ-OD2 3.13Å; D407-E411 WeakPolarHBondContact O-CB 3.34Å; D407-E411 PolarHBondContact O-N 3.41Å |
| 408 | V | 93.2 | Very high | 93.4 | Very high | 7 Ų | 7 | 74.2 Ų | 74.2 | 4% | 0.042 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67 | -43.1 | 177.8 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | K404 S405 S406 E410 E411 V412 R431 F432 R435 | K404-V408 WeakPolarHBondContact O-CG2 3.34Å; S405-V408 PolarHBondContact O-N 3.1Å; S406-V408 PolarHBondContact O-N 3.06Å; V408-E410 VanDerWaalsContact C-N 3.35Å; V408-E411 PolarHBondContact O-N 3.47Å; V408-V412 HydrophobicContact CG1-CG2 4.46Å; V408-V412 VanDerWaalsContact O-CG2 3.25Å; V408-V412 WeakPolarHBondContact O-CG2 3.26Å; V408-V412 PolarHBondContact O-N 2.92Å; V408-V412 VanDerWaalsContact O-N 3.08Å; V408-R431 HydrophobicContact CG1-CG 4.24Å; V408-F432 HydrophobicContact CG1-CD2 4.43Å; V408-R435 HydrophobicContact CG2-CG 4.46Å |
| 409 | A | 95.9 | Very high | 93.9 | Very high | 29 Ų | 29 | 75 Ų | 75 | 24% | 0.24 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S405 S406 V412 I413 F432 | S405-A409 PolarHBondContact O-N 3.34Å; S405-A409 VanDerWaalsContact O-N 3.09Å; S406-A409 PolarHBondContact O-N 3.36Å; A409-V412 PolarHBondContact O-N 2.85Å; A409-I413 WeakPolarHBondContact O-CB 3.35Å; A409-I413 VanDerWaalsContact O-CG1 3.23Å; A409-I413 WeakPolarHBondContact O-CG1 3.45Å; A409-I413 PolarHBondContact O-N 3.18Å; A409-F432 HydrophobicContact CB-CD2 4.41Å; A409-F432 HydrophobicContact CB-CE2 3.98Å |
| 410 | E | 95.4 | Very high | 94.4 | Very high | 137 Ų | 137 | 78.4 Ų | 78.4 | 64% | 0.64 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.5 | -47.6 | 176.6 | -175.8 | 175.1 | -178.2 | 0 | 0 | 111.3 | S406 V408 V412 I413 S414 | S406-E410 WeakPolarHBondContact O-CB 3.43Å; S406-E410 PolarHBondContact O-N 3.07Å; V408-E410 VanDerWaalsContact C-N 3.35Å; E410-V412 VanDerWaalsContact C-N 3.33Å; E410-V412 PolarHBondContact O-N 3.25Å; E410-I413 PolarHBondContact O-N 3Å; E410-S414 WeakPolarHBondContact O-CB 3.26Å; E410-S414 PolarHBondContact O-N 2.91Å; E410-S414 PolarHBondContact O-OG 3.46Å |
| 411 | E | 96.1 | Very high | 94.8 | Very high | 94 Ų | 94 | 75.1 Ų | 75.1 | 44% | 0.439 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56.5 | -45.6 | 176 | -175.1 | -169.1 | 130.9 | 0 | 0 | 111.9 | D407 V408 S414 N415 R431 | D407-E411 WeakPolarHBondContact O-CB 3.34Å; D407-E411 PolarHBondContact O-N 3.41Å; V408-E411 PolarHBondContact O-N 3.47Å; E411-S414 PolarHBondContact O-OG 3.41Å; E411-S414 VanDerWaalsContact O-OG 3.08Å; E411-N415 WeakPolarHBondContact O-CB 3.43Å; E411-N415 PolarHBondContact O-N 3.3Å; E411-N415 PolarHBondContact O-ND2 3.34Å; E411-R431 IonicContact OE1-CZ 3.86Å; E411-R431 IonicContact OE1-NH1 3.03Å; E411-R431 PolarHBondContact OE1-NH1 3.11Å; E411-R431 IonicContact OE1-NH2 3.18Å; E411-R431 PolarHBondContact OE1-NH2 2.63Å; E411-R431 IonicContact OE2-CZ 3.21Å; E411-R431 IonicContact OE2-NH2 2.75Å; E411-R431 PolarHBondContact OE2-NH2 2.96Å |
| 412 | V | 96.1 | Very high | 95.2 | Very high | 28 Ų | 28 | 82 Ų | 82 | 17% | 0.17 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -71.2 | -44.7 | -178 | 172.1 | 0 | 0 | 0 | 0 | 111.8 | V408 A409 E410 N415 I416 V419 E428 | V408-V412 HydrophobicContact CG1-CG2 4.46Å; V408-V412 VanDerWaalsContact O-CG2 3.25Å; V408-V412 WeakPolarHBondContact O-CG2 3.26Å; V408-V412 PolarHBondContact O-N 2.92Å; V408-V412 VanDerWaalsContact O-N 3.08Å; A409-V412 PolarHBondContact O-N 2.85Å; E410-V412 VanDerWaalsContact C-N 3.33Å; E410-V412 PolarHBondContact O-N 3.25Å; V412-N415 CarbonylContact O-C 3.54Å; V412-N415 PolarHBondContact O-N 3Å; V412-I416 WeakPolarHBondContact O-CA 3.36Å; V412-I416 PolarHBondContact O-N 3.44Å; V412-V419 HydrophobicContact CG1-CG2 4.27Å; V412-E428 HydrophobicContact CG1-CB 4.18Å; V412-E428 HydrophobicContact CG1-CG 4.38Å; V412-E428 HydrophobicContact CG2-CB 3.95Å; V412-E428 HydrophobicContact CG2-CG 3.88Å; V412-E428 VanDerWaalsContact CG2-OE2 3.31Å; V412-E428 WeakPolarHBondContact CG2-OE2 3.3Å |
| 413 | I | 96.5 | Very high | 95.4 | Very high | 123 Ų | 123 | 82.9 Ų | 82.9 | 63% | 0.631 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -71.9 | -41 | -176.9 | -67.5 | 169.3 | 0 | 0 | 0 | 110.9 | A409 E410 N415 I416 | A409-I413 WeakPolarHBondContact O-CB 3.35Å; A409-I413 VanDerWaalsContact O-CG1 3.23Å; A409-I413 WeakPolarHBondContact O-CG1 3.45Å; A409-I413 PolarHBondContact O-N 3.18Å; E410-I413 PolarHBondContact O-N 3Å; I413-N415 PolarHBondContact O-N 3.34Å; I413-I416 PolarHBondContact O-N 3.38Å |
| 414 | S | 96.3 | Very high | 95.7 | Very high | 83 Ų | 83 | 84.3 Ų | 84.3 | 58% | 0.58 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62.3 | -31 | 175.1 | 59 | 0 | 0 | 0 | 0 | 112.3 | E410 E411 | E410-S414 WeakPolarHBondContact O-CB 3.26Å; E410-S414 PolarHBondContact O-N 2.91Å; E410-S414 PolarHBondContact O-OG 3.46Å; E411-S414 PolarHBondContact O-OG 3.41Å; E411-S414 VanDerWaalsContact O-OG 3.08Å |
| 415 | N | 96.5 | Very high | 96.1 | Very high | 81 Ų | 81 | 84.9 Ų | 84.9 | 43% | 0.433 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 27.2 | -179.6 | -61.9 | -71.3 | 0 | 0 | 0 | 114 | E411 V412 I413 R417 T418 V419 | E411-N415 WeakPolarHBondContact O-CB 3.43Å; E411-N415 PolarHBondContact O-N 3.3Å; E411-N415 PolarHBondContact O-ND2 3.34Å; V412-N415 CarbonylContact O-C 3.54Å; V412-N415 PolarHBondContact O-N 3Å; I413-N415 PolarHBondContact O-N 3.34Å; N415-R417 PolarHBondContact O-N 2.94Å; N415-R417 VanDerWaalsContact O-N 3.07Å; N415-T418 WeakPolarHBondContact O-CB 3.33Å; N415-T418 PolarHBondContact O-N 2.73Å; N415-V419 PolarHBondContact O-N 3Å |
| 416 | I | 97.1 | Very high | 96.3 | Very high | 77 Ų | 77 | 90.3 Ų | 90.3 | 40% | 0.395 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.2 | -29.4 | -173.2 | -169.2 | 59.1 | 0 | 0 | 0 | 114 | V412 I413 T418 V419 R420 | V412-I416 WeakPolarHBondContact O-CA 3.36Å; V412-I416 PolarHBondContact O-N 3.44Å; I413-I416 PolarHBondContact O-N 3.38Å; I416-T418 VanDerWaalsContact C-N 3.34Å; I416-V419 HydrophobicContact CD1-CB 4.47Å; I416-V419 PolarHBondContact O-N 2.74Å; I416-R420 PolarHBondContact O-N 3.46Å |
| 417 | R | 97.5 | Very high | 96.4 | Very high | 222 Ų | 222 | 88.6 Ų | 88.6 | 84% | 0.838 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.8 | -41.5 | 176.1 | -68.2 | -176.9 | -176.9 | -120.2 | 2.2 | 111.6 | N415 S421 | N415-R417 PolarHBondContact O-N 2.94Å; N415-R417 VanDerWaalsContact O-N 3.07Å; R417-S421 WeakPolarHBondContact O-CB 3.37Å; R417-S421 PolarHBondContact O-N 2.9Å; R417-S421 PolarHBondContact O-OG 3.26Å |
| 418 | T | 97.4 | Very high | 96.6 | Very high | 73 Ų | 73 | 87.1 Ų | 87.1 | 45% | 0.448 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.3 | -44.1 | 177.7 | -51.4 | 0 | 0 | 0 | 0 | 110.8 | N415 I416 R420 S421 F422 | N415-T418 WeakPolarHBondContact O-CB 3.33Å; N415-T418 PolarHBondContact O-N 2.73Å; I416-T418 VanDerWaalsContact C-N 3.34Å; T418-R420 VanDerWaalsContact C-N 3.27Å; T418-R420 PolarHBondContact O-N 2.94Å; T418-S421 WeakPolarHBondContact CA-OG 3.34Å; T418-S421 PolarHBondContact O-N 3.21Å; T418-S421 VanDerWaalsContact O-N 3.16Å; T418-S421 PolarHBondContact O-OG 2.75Å; T418-F422 HydrophobicContact CG2-CD2 3.85Å; T418-F422 HydrophobicContact CG2-CE2 3.95Å; T418-F422 WeakPolarHBondContact O-CD2 3.47Å; T418-F422 PolarHBondContact O-N 2.63Å; T418-F422 VanDerWaalsContact O-N 3.1Å |
| 419 | V | 97.4 | Very high | 96.7 | Very high | 18 Ų | 18 | 95.1 Ų | 95.1 | 11% | 0.109 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -57.7 | -43.6 | 177.7 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | V412 N415 I416 A423 N424 E425 E428 | V412-V419 HydrophobicContact CG1-CG2 4.27Å; N415-V419 PolarHBondContact O-N 3Å; I416-V419 HydrophobicContact CD1-CB 4.47Å; I416-V419 PolarHBondContact O-N 2.74Å; V419-A423 PolarHBondContact O-N 2.93Å; V419-A423 VanDerWaalsContact O-N 3.08Å; V419-N424 PolarHBondContact O-N 2.84Å; V419-N424 VanDerWaalsContact O-N 3.12Å; V419-E425 HydrophobicContact CG1-CG 4.1Å; V419-E428 HydrophobicContact CG1-CG 4.23Å; V419-E428 HydrophobicContact CG2-CG 4.38Å |
| 420 | R | 97.4 | Very high | 96.8 | Very high | 181 Ų | 181 | 96.6 Ų | 96.6 | 68% | 0.683 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.7 | -39.3 | 175.2 | -77.7 | -166.9 | 170.4 | -177.7 | 0.7 | 113.6 | I416 T418 F422 A423 E425 | I416-R420 PolarHBondContact O-N 3.46Å; T418-R420 VanDerWaalsContact C-N 3.27Å; T418-R420 PolarHBondContact O-N 2.94Å; R420-F422 PolarHBondContact O-N 2.96Å; R420-A423 PolarHBondContact O-N 3.22Å; R420-E425 WeakPolarHBondContact CG-OE1 3.24Å |
| 421 | S | 97.8 | Very high | 96.8 | Very high | 87 Ų | 87 | 93.9 Ų | 93.9 | 61% | 0.608 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65 | -28.4 | -179.8 | 68.2 | 0 | 0 | 0 | 0 | 112.5 | R417 T418 | R417-S421 WeakPolarHBondContact O-CB 3.37Å; R417-S421 PolarHBondContact O-N 2.9Å; R417-S421 PolarHBondContact O-OG 3.26Å; T418-S421 WeakPolarHBondContact CA-OG 3.34Å; T418-S421 PolarHBondContact O-N 3.21Å; T418-S421 VanDerWaalsContact O-N 3.16Å; T418-S421 PolarHBondContact O-OG 2.75Å |
| 422 | F | 97.1 | Very high | 96.8 | Very high | 160 Ų | 160 | 93.3 Ų | 93.3 | 70% | 0.702 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 4.4 | 176 | -70.8 | -82.1 | 0 | 0 | 0 | 114 | T418 R420 N424 | T418-F422 HydrophobicContact CG2-CD2 3.85Å; T418-F422 HydrophobicContact CG2-CE2 3.95Å; T418-F422 WeakPolarHBondContact O-CD2 3.47Å; T418-F422 PolarHBondContact O-N 2.63Å; T418-F422 VanDerWaalsContact O-N 3.1Å; R420-F422 PolarHBondContact O-N 2.96Å; F422-N424 PolarHBondContact O-N 3.31Å |
| 423 | A | 96.9 | Very high | 96.8 | Very high | 79 Ų | 79 | 97.2 Ų | 97.2 | 65% | 0.653 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 40.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V419 R420 E425 | V419-A423 PolarHBondContact O-N 2.93Å; V419-A423 VanDerWaalsContact O-N 3.08Å; R420-A423 PolarHBondContact O-N 3.22Å; A423-E425 WeakPolarHBondContact CA-OE2 3.25Å |
| 424 | N | 96.5 | Very high | 96.7 | Very high | 76 Ų | 76 | 96 Ų | 96 | 41% | 0.406 | 47% | 0.472 | S | S | . | . | trans | -104.7 | 25.4 | -174.9 | -166.2 | 40.2 | 0 | 0 | 0 | 113.5 | V419 F422 D426 G427 E428 | V419-N424 PolarHBondContact O-N 2.84Å; V419-N424 VanDerWaalsContact O-N 3.12Å; F422-N424 PolarHBondContact O-N 3.31Å; N424-D426 PolarHBondContact O-N 3.08Å; N424-G427 PolarHBondContact O-N 3.33Å; N424-E428 PolarHBondContact O-N 3.39Å; N424-E428 VanDerWaalsContact O-N 3.14Å | ||
| 425 | E | 97.1 | Very high | 96.6 | Very high | 83 Ų | 83 | 97.6 Ų | 97.6 | 39% | 0.388 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.5 | -38.6 | 179.2 | -66 | 90.3 | 155.2 | 0 | 0 | 112.2 | V419 R420 A423 R429 | V419-E425 HydrophobicContact CG1-CG 4.1Å; R420-E425 WeakPolarHBondContact CG-OE1 3.24Å; A423-E425 WeakPolarHBondContact CA-OE2 3.25Å; E425-R429 WeakPolarHBondContact O-CB 3.23Å; E425-R429 PolarHBondContact O-N 3.22Å |
| 426 | D | 97 | Very high | 96.5 | Very high | 124 Ų | 124 | 96.2 Ų | 96.2 | 66% | 0.663 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -68.6 | -36.5 | 179.7 | -73.4 | -38.4 | 0 | 0 | 0 | 112.5 | N424 R429 E430 | N424-D426 PolarHBondContact O-N 3.08Å; D426-R429 PolarHBondContact O-N 2.99Å; D426-E430 PolarHBondContact O-N 2.94Å |
| 427 | G | 96.1 | Very high | 96.3 | Very high | 31 Ų | 31 | 98 Ų | 98 | 32% | 0.32 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.8 | -46.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | N424 R429 E430 R431 | N424-G427 PolarHBondContact O-N 3.33Å; G427-R429 VanDerWaalsContact C-N 3.35Å; G427-E430 PolarHBondContact O-N 2.89Å; G427-R431 PolarHBondContact O-N 2.92Å |
| 428 | E | 96.6 | Very high | 96 | Very high | 37 Ų | 37 | 90 Ų | 90 | 17% | 0.173 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -67.5 | -36 | 176.5 | -65.7 | -51.1 | 140 | 0 | 0 | 112.1 | V412 V419 N424 E430 R431 F432 | V412-E428 HydrophobicContact CG1-CB 4.18Å; V412-E428 HydrophobicContact CG1-CG 4.38Å; V412-E428 HydrophobicContact CG2-CB 3.95Å; V412-E428 HydrophobicContact CG2-CG 3.88Å; V412-E428 VanDerWaalsContact CG2-OE2 3.31Å; V412-E428 WeakPolarHBondContact CG2-OE2 3.3Å; V419-E428 HydrophobicContact CG1-CG 4.23Å; V419-E428 HydrophobicContact CG2-CG 4.38Å; N424-E428 PolarHBondContact O-N 3.39Å; N424-E428 VanDerWaalsContact O-N 3.14Å; E428-E430 VanDerWaalsContact C-N 3.32Å; E428-E430 PolarHBondContact O-N 2.85Å; E428-R431 PolarHBondContact O-N 3.11Å; E428-R431 IonicContact OE1-NH1 3.56Å; E428-R431 WeakPolarHBondContact OE2-CD 3.3Å; E428-R431 IonicContact OE2-CZ 3.45Å; E428-R431 IonicContact OE2-NE 2.75Å; E428-R431 IonicContact OE2-NH1 3.59Å; E428-R431 PolarHBondContact OE2-NH1 3.18Å; E428-F432 WeakPolarHBondContact O-CB 3.48Å; E428-F432 PolarHBondContact O-N 3.27Å |
| 429 | R | 96.4 | Very high | 95.7 | Very high | 175 Ų | 175 | 87.2 Ų | 87.2 | 66% | 0.66 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -59.6 | -42.5 | 171.9 | -173.3 | -179.6 | -166.6 | 175.4 | 5.2 | 111.4 | E425 D426 G427 R433 | E425-R429 WeakPolarHBondContact O-CB 3.23Å; E425-R429 PolarHBondContact O-N 3.22Å; D426-R429 PolarHBondContact O-N 2.99Å; G427-R429 VanDerWaalsContact C-N 3.35Å; R429-R433 VanDerWaalsContact O-CB 3.25Å; R429-R433 WeakPolarHBondContact O-CB 3.49Å; R429-R433 PolarHBondContact O-N 3.26Å |
| 430 | E | 96.7 | Very high | 95.5 | Very high | 59 Ų | 59 | 90.9 Ų | 90.9 | 28% | 0.276 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.8 | -47 | 176.9 | -170.7 | 58.8 | -156.2 | 0 | 0 | 112.2 | D426 G427 E428 F432 R433 L434 R437 | D426-E430 PolarHBondContact O-N 2.94Å; G427-E430 PolarHBondContact O-N 2.89Å; E428-E430 VanDerWaalsContact C-N 3.32Å; E428-E430 PolarHBondContact O-N 2.85Å; E430-F432 VanDerWaalsContact C-N 3.29Å; E430-F432 PolarHBondContact O-N 3.39Å; E430-R433 VanDerWaalsContact CD-CZ 3.49Å; E430-R433 WeakPolarHBondContact O-CB 3.4Å; E430-R433 PolarHBondContact O-N 2.74Å; E430-R433 VanDerWaalsContact O-N 3.1Å; E430-R433 IonicContact OE1-CZ 2.97Å; E430-R433 IonicContact OE1-NE 2.76Å; E430-R433 PolarHBondContact OE1-NE 2.92Å; E430-R433 IonicContact OE1-NH2 3.76Å; E430-R433 PolarHBondContact OE1-NH2 2.81Å; E430-R433 IonicContact OE2-CZ 3.7Å; E430-R433 IonicContact OE2-NE 3.41Å; E430-R433 PolarHBondContact OE2-NE 2.71Å; E430-R433 IonicContact OE2-NH1 3.83Å; E430-R433 PolarHBondContact OE2-NH1 2.92Å; E430-R433 IonicContact OE2-NH2 3.87Å; E430-R433 PolarHBondContact OE2-NH2 3.26Å; E430-L434 HydrophobicContact CG-CD1 4.26Å; E430-L434 HydrophobicContact CG-CG 4.38Å; E430-L434 WeakPolarHBondContact O-CG 3.36Å; E430-L434 PolarHBondContact O-N 3.34Å; E430-R437 IonicContact OE1-NH1 3.68Å; E430-R437 PolarHBondContact OE1-NH1 3.34Å |
| 431 | R | 95.5 | Very high | 95.3 | Very high | 80 Ų | 80 | 89.2 Ų | 89.2 | 30% | 0.302 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -55.9 | -45.2 | 177.9 | 178.8 | -178.5 | 154.7 | -165.2 | 2.4 | 111.1 | V408 E411 G427 E428 R435 | V408-R431 HydrophobicContact CG1-CG 4.24Å; E411-R431 IonicContact OE1-CZ 3.86Å; E411-R431 IonicContact OE1-NH1 3.03Å; E411-R431 PolarHBondContact OE1-NH1 3.11Å; E411-R431 IonicContact OE1-NH2 3.18Å; E411-R431 PolarHBondContact OE1-NH2 2.63Å; E411-R431 IonicContact OE2-CZ 3.21Å; E411-R431 IonicContact OE2-NH2 2.75Å; E411-R431 PolarHBondContact OE2-NH2 2.96Å; G427-R431 PolarHBondContact O-N 2.92Å; E428-R431 PolarHBondContact O-N 3.11Å; E428-R431 IonicContact OE1-NH1 3.56Å; E428-R431 WeakPolarHBondContact OE2-CD 3.3Å; E428-R431 IonicContact OE2-CZ 3.45Å; E428-R431 IonicContact OE2-NE 2.75Å; E428-R431 IonicContact OE2-NH1 3.59Å; E428-R431 PolarHBondContact OE2-NH1 3.18Å; R431-R435 PolarHBondContact O-N 3.4Å |
| 432 | F | 96 | Very high | 94.9 | Very high | 83 Ų | 83 | 87 Ų | 87 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 174.7 | -172 | -99.8 | 0 | 0 | 0 | 111.9 | S405 V408 A409 E428 E430 L434 R435 V436 | S405-F432 WeakPolarHBondContact O-CE2 3.27Å; V408-F432 HydrophobicContact CG1-CD2 4.43Å; A409-F432 HydrophobicContact CB-CD2 4.41Å; A409-F432 HydrophobicContact CB-CE2 3.98Å; E428-F432 WeakPolarHBondContact O-CB 3.48Å; E428-F432 PolarHBondContact O-N 3.27Å; E430-F432 VanDerWaalsContact C-N 3.29Å; E430-F432 PolarHBondContact O-N 3.39Å; F432-L434 VanDerWaalsContact C-N 3.31Å; F432-L434 PolarHBondContact O-N 2.9Å; F432-R435 WeakPolarHBondContact O-CB 3.43Å; F432-R435 PolarHBondContact O-N 3.26Å; F432-R435 VanDerWaalsContact O-N 3.12Å; F432-V436 HydrophobicContact CD1-CG2 3.87Å; F432-V436 HydrophobicContact CE1-CG2 3.52Å; F432-V436 HydrophobicContact CZ-CG2 3.95Å; F432-V436 WeakPolarHBondContact O-CG2 3.35Å; F432-V436 PolarHBondContact O-N 3.3Å |
| 433 | R | 96.7 | Very high | 94.6 | Very high | 110 Ų | 110 | 83.4 Ų | 83.4 | 42% | 0.415 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.8 | -39 | 178.1 | -172.5 | 172.5 | 75 | -179.1 | 16.6 | 112.9 | R429 E430 V436 R437 | R429-R433 VanDerWaalsContact O-CB 3.25Å; R429-R433 WeakPolarHBondContact O-CB 3.49Å; R429-R433 PolarHBondContact O-N 3.26Å; E430-R433 VanDerWaalsContact CD-CZ 3.49Å; E430-R433 WeakPolarHBondContact O-CB 3.4Å; E430-R433 PolarHBondContact O-N 2.74Å; E430-R433 VanDerWaalsContact O-N 3.1Å; E430-R433 IonicContact OE1-CZ 2.97Å; E430-R433 IonicContact OE1-NE 2.76Å; E430-R433 PolarHBondContact OE1-NE 2.92Å; E430-R433 IonicContact OE1-NH2 3.76Å; E430-R433 PolarHBondContact OE1-NH2 2.81Å; E430-R433 IonicContact OE2-CZ 3.7Å; E430-R433 IonicContact OE2-NE 3.41Å; E430-R433 PolarHBondContact OE2-NE 2.71Å; E430-R433 IonicContact OE2-NH1 3.83Å; E430-R433 PolarHBondContact OE2-NH1 2.92Å; E430-R433 IonicContact OE2-NH2 3.87Å; E430-R433 PolarHBondContact OE2-NH2 3.26Å; R433-V436 PolarHBondContact O-N 3.34Å; R433-R437 VanDerWaalsContact NE-NH2 3.16Å; R433-R437 WeakPolarHBondContact O-CG 3.09Å; R433-R437 PolarHBondContact O-N 2.98Å |
| 434 | L | 95.2 | Very high | 94.3 | Very high | 96 Ų | 96 | 86.1 Ų | 86.1 | 50% | 0.503 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 175.8 | -71.8 | 172.9 | 0 | 0 | 0 | 112 | E430 F432 R437 A438 | E430-L434 HydrophobicContact CG-CD1 4.26Å; E430-L434 HydrophobicContact CG-CG 4.38Å; E430-L434 WeakPolarHBondContact O-CG 3.36Å; E430-L434 PolarHBondContact O-N 3.34Å; F432-L434 VanDerWaalsContact C-N 3.31Å; F432-L434 PolarHBondContact O-N 2.9Å; L434-R437 PolarHBondContact O-N 3.15Å; L434-A438 PolarHBondContact O-N 2.95Å |
| 435 | R | 93.3 | Very high | 94 | Very high | 117 Ų | 117 | 89 Ų | 89 | 44% | 0.442 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 173.5 | -65.9 | -70.9 | -172.2 | 179.6 | 0.7 | 111.1 | V408 R431 F432 R437 A438 I439 | V408-R435 HydrophobicContact CG2-CG 4.46Å; R431-R435 PolarHBondContact O-N 3.4Å; F432-R435 WeakPolarHBondContact O-CB 3.43Å; F432-R435 PolarHBondContact O-N 3.26Å; F432-R435 VanDerWaalsContact O-N 3.12Å; R435-R437 PolarHBondContact O-N 2.93Å; R435-A438 WeakPolarHBondContact O-CB 3.06Å; R435-A438 PolarHBondContact O-N 2.78Å; R435-I439 VanDerWaalsContact O-CG1 3.3Å; R435-I439 WeakPolarHBondContact O-CG1 3.44Å; R435-I439 PolarHBondContact O-N 2.95Å |
| 436 | V | 94.1 | Very high | 93.6 | Very high | 52 Ų | 52 | 86.8 Ų | 86.8 | 32% | 0.315 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61 | -42 | 177 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | F432 R433 A438 I439 L440 | F432-V436 HydrophobicContact CD1-CG2 3.87Å; F432-V436 HydrophobicContact CE1-CG2 3.52Å; F432-V436 HydrophobicContact CZ-CG2 3.95Å; F432-V436 WeakPolarHBondContact O-CG2 3.35Å; F432-V436 PolarHBondContact O-N 3.3Å; R433-V436 PolarHBondContact O-N 3.34Å; V436-A438 VanDerWaalsContact C-N 3.35Å; V436-A438 PolarHBondContact O-N 3.46Å; V436-I439 WeakPolarHBondContact O-CB 3.34Å; V436-I439 PolarHBondContact O-N 3.38Å; V436-L440 WeakPolarHBondContact O-CG 2.79Å; V436-L440 PolarHBondContact O-N 2.89Å |
| 437 | R | 94.3 | Very high | 93.1 | Very high | 116 Ų | 116 | 83.5 Ų | 83.5 | 44% | 0.438 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.9 | -38.5 | 175 | -74.6 | 178.4 | -175.3 | 149.6 | -0.8 | 112.7 | E430 R433 L434 R435 L440 K441 | E430-R437 IonicContact OE1-NH1 3.68Å; E430-R437 PolarHBondContact OE1-NH1 3.34Å; R433-R437 VanDerWaalsContact NE-NH2 3.16Å; R433-R437 WeakPolarHBondContact O-CG 3.09Å; R433-R437 PolarHBondContact O-N 2.98Å; L434-R437 PolarHBondContact O-N 3.15Å; R435-R437 PolarHBondContact O-N 2.93Å; R437-L440 PolarHBondContact O-N 2.89Å; R437-K441 PolarHBondContact O-N 3.41Å |
| 438 | A | 90.7 | Very high | 92.6 | Very high | 54 Ų | 54 | 88.3 Ų | 88.3 | 45% | 0.446 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L434 R435 V436 K441 I442 | L434-A438 PolarHBondContact O-N 2.95Å; R435-A438 WeakPolarHBondContact O-CB 3.06Å; R435-A438 PolarHBondContact O-N 2.78Å; V436-A438 VanDerWaalsContact C-N 3.35Å; V436-A438 PolarHBondContact O-N 3.46Å; A438-K441 PolarHBondContact O-N 2.95Å; A438-I442 PolarHBondContact O-N 3.41Å |
| 439 | I | 91.4 | Very high | 92 | Very high | 13 Ų | 13 | 87 Ų | 87 | 7% | 0.067 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 173.2 | -69 | 161.8 | 0 | 0 | 0 | 110.5 | A401 L402 S405 R435 V436 K441 I442 F443 | A401-I439 HydrophobicContact CB-CG1 3.69Å; A401-I439 WeakPolarHBondContact O-CD1 3.39Å; L402-I439 HydrophobicContact CD2-CD1 4.35Å; L402-I439 HydrophobicContact CD2-CG2 4.33Å; S405-I439 WeakPolarHBondContact OG-CD1 3.28Å; R435-I439 VanDerWaalsContact O-CG1 3.3Å; R435-I439 WeakPolarHBondContact O-CG1 3.44Å; R435-I439 PolarHBondContact O-N 2.95Å; V436-I439 WeakPolarHBondContact O-CB 3.34Å; V436-I439 PolarHBondContact O-N 3.38Å; I439-K441 VanDerWaalsContact C-N 3.32Å; I439-K441 PolarHBondContact O-N 3.11Å; I439-I442 WeakPolarHBondContact O-CB 3.21Å; I439-I442 PolarHBondContact O-N 2.97Å; I439-F443 HydrophobicContact CG2-CD2 3.4Å; I439-F443 HydrophobicContact CG2-CE2 3.52Å; I439-F443 PolarHBondContact O-N 3.11Å |
| 440 | L | 92.9 | Very high | 91.3 | Very high | 95 Ų | 95 | 83.1 Ų | 83.1 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -57.2 | -40.2 | 178.4 | -75.4 | 173.8 | 0 | 0 | 0 | 113 | V436 R437 I442 F443 Q444 | V436-L440 WeakPolarHBondContact O-CG 2.79Å; V436-L440 PolarHBondContact O-N 2.89Å; R437-L440 PolarHBondContact O-N 2.89Å; L440-I442 VanDerWaalsContact C-N 3.32Å; L440-I442 PolarHBondContact O-N 2.7Å; L440-F443 CarbonylContact O-C 3.15Å; L440-F443 PolarHBondContact O-N 2.77Å; L440-Q444 VanDerWaalsContact O-CG 3.32Å; L440-Q444 WeakPolarHBondContact O-CG 3.4Å; L440-Q444 PolarHBondContact O-N 3.11Å |
| 441 | K | 92.3 | Very high | 90.4 | Very high | 146 Ų | 146 | 83.2 Ų | 83.2 | 64% | 0.635 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64 | -38 | 176.2 | -69 | -179.4 | -179.6 | -179.3 | 0 | 112.3 | R437 A438 I439 K445 | R437-K441 PolarHBondContact O-N 3.41Å; A438-K441 PolarHBondContact O-N 2.95Å; I439-K441 VanDerWaalsContact C-N 3.32Å; I439-K441 PolarHBondContact O-N 3.11Å; K441-K445 PolarHBondContact O-N 3.37Å |
| 442 | I | 90.2 | Very high | 89.4 | Confident | 42 Ų | 42 | 81 Ų | 81 | 22% | 0.215 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.7 | -43.9 | 175.1 | -60.1 | 170.8 | 0 | 0 | 0 | 109.3 | L394 R397 T398 A401 A438 I439 L440 Q444 K445 K446 | L394-I442 HydrophobicContact CD1-CG2 3.71Å; R397-I442 HydrophobicContact CB-CG2 4.34Å; T398-I442 WeakPolarHBondContact OG1-CG2 3.29Å; A401-I442 HydrophobicContact CB-CD1 3.82Å; A438-I442 PolarHBondContact O-N 3.41Å; I439-I442 WeakPolarHBondContact O-CB 3.21Å; I439-I442 PolarHBondContact O-N 2.97Å; L440-I442 VanDerWaalsContact C-N 3.32Å; L440-I442 PolarHBondContact O-N 2.7Å; I442-Q444 VanDerWaalsContact C-N 3.33Å; I442-Q444 PolarHBondContact O-N 2.73Å; I442-K445 PolarHBondContact O-N 2.88Å; I442-K446 WeakPolarHBondContact O-CB 2.89Å; I442-K446 PolarHBondContact O-N 3.25Å |
| 443 | F | 89.9 | Confident | 88.3 | Confident | 84 Ų | 84 | 77.4 Ų | 77.4 | 37% | 0.368 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61 | -37.3 | 175.4 | -98.3 | -81.2 | 0 | 0 | 0 | 113 | T398 L402 I439 L440 K446 A447 | T398-F443 HydrophobicContact CG2-CD2 3.85Å; T398-F443 HydrophobicContact CG2-CE1 4.18Å; T398-F443 HydrophobicContact CG2-CE2 3.34Å; T398-F443 HydrophobicContact CG2-CG 4.48Å; T398-F443 HydrophobicContact CG2-CZ 3.53Å; L402-F443 HydrophobicContact CD1-CE2 4.41Å; L402-F443 HydrophobicContact CD1-CZ 4.48Å; I439-F443 HydrophobicContact CG2-CD2 3.4Å; I439-F443 HydrophobicContact CG2-CE2 3.52Å; I439-F443 PolarHBondContact O-N 3.11Å; L440-F443 CarbonylContact O-C 3.15Å; L440-F443 PolarHBondContact O-N 2.77Å; F443-K446 CarbonylContact O-C 3.55Å; F443-K446 WeakPolarHBondContact O-CB 3.16Å; F443-K446 PolarHBondContact O-N 3.19Å; F443-A447 VanDerWaalsContact O-CB 3.29Å; F443-A447 WeakPolarHBondContact O-CB 3.3Å; F443-A447 PolarHBondContact O-N 3.46Å |
| 444 | Q | 92.4 | Very high | 87 | Confident | 135 Ų | 135 | 74.8 Ų | 74.8 | 63% | 0.631 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.7 | -46.3 | 175.1 | -77.3 | 172.1 | -11.7 | 0 | 0 | 111.3 | L440 I442 K446 A447 L448 | L440-Q444 VanDerWaalsContact O-CG 3.32Å; L440-Q444 WeakPolarHBondContact O-CG 3.4Å; L440-Q444 PolarHBondContact O-N 3.11Å; I442-Q444 VanDerWaalsContact C-N 3.33Å; I442-Q444 PolarHBondContact O-N 2.73Å; Q444-K446 VanDerWaalsContact C-N 3.27Å; Q444-K446 PolarHBondContact O-N 3.5Å; Q444-A447 PolarHBondContact O-N 3.01Å; Q444-L448 PolarHBondContact O-N 2.81Å |
| 445 | K | 90.1 | Very high | 85.6 | Confident | 138 Ų | 138 | 79 Ų | 79 | 60% | 0.6 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -61.3 | -40 | 172.8 | -68.3 | -177.6 | 178.9 | -176.3 | 0 | 110.9 | L394 K441 I442 L448 A449 | L394-K445 HydrophobicContact CD1-CB 4.34Å; L394-K445 VanDerWaalsContact CD2-C 3.46Å; L394-K445 HydrophobicContact CD2-CB 3.95Å; L394-K445 WeakPolarHBondContact CD2-O 3.48Å; K441-K445 PolarHBondContact O-N 3.37Å; I442-K445 PolarHBondContact O-N 2.88Å; K445-L448 PolarHBondContact O-N 3.29Å; K445-A449 VanDerWaalsContact O-CB 3.27Å; K445-A449 WeakPolarHBondContact O-CB 3.29Å; K445-A449 PolarHBondContact O-N 2.86Å |
| 446 | K | 86.9 | Confident | 84 | Confident | 36 Ų | 36 | 76.9 Ų | 76.9 | 16% | 0.157 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 178.9 | -169.5 | -177.5 | 173.5 | -175.9 | 0 | 111.1 | Y391 L394 T398 I442 F443 Q444 A449 M450 | Y391-K446 HydrophobicContact CE2-CG 4.13Å; Y391-K446 VanDerWaalsContact OH-CE 3.24Å; Y391-K446 WeakPolarHBondContact OH-CE 3.34Å; L394-K446 HydrophobicContact CD2-CB 4.01Å; L394-K446 HydrophobicContact CG-CB 3.88Å; L394-K446 HydrophobicContact CG-CG 4.26Å; T398-K446 HydrophobicContact CG2-CD 4.41Å; I442-K446 WeakPolarHBondContact O-CB 2.89Å; I442-K446 PolarHBondContact O-N 3.25Å; F443-K446 CarbonylContact O-C 3.55Å; F443-K446 WeakPolarHBondContact O-CB 3.16Å; F443-K446 PolarHBondContact O-N 3.19Å; Q444-K446 VanDerWaalsContact C-N 3.27Å; Q444-K446 PolarHBondContact O-N 3.5Å; K446-A449 CarbonylContact O-C 3.6Å; K446-A449 PolarHBondContact O-N 3.44Å; K446-M450 WeakPolarHBondContact O-CA 3.34Å; K446-M450 WeakPolarHBondContact O-CB 3.46Å; K446-M450 PolarHBondContact O-N 3.4Å |
| 447 | A | 86.4 | Confident | 82.2 | Confident | 54 Ų | 54 | 74.4 Ų | 74.4 | 45% | 0.446 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | F443 Q444 M450 V451 | F443-A447 VanDerWaalsContact O-CB 3.29Å; F443-A447 WeakPolarHBondContact O-CB 3.3Å; F443-A447 PolarHBondContact O-N 3.46Å; Q444-A447 PolarHBondContact O-N 3.01Å; A447-M450 WeakPolarHBondContact O-CB 3.45Å; A447-M450 PolarHBondContact O-N 2.95Å; A447-V451 WeakPolarHBondContact O-CG2 3.34Å; A447-V451 PolarHBondContact O-N 3.29Å |
| 448 | L | 86.9 | Confident | 80.2 | Confident | 133 Ų | 133 | 70.9 Ų | 70.9 | 70% | 0.696 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.7 | -44.8 | 174.8 | -171.5 | 74 | 0 | 0 | 0 | 111.8 | Q444 K445 M450 V451 A452 | Q444-L448 PolarHBondContact O-N 2.81Å; K445-L448 PolarHBondContact O-N 3.29Å; L448-M450 PolarHBondContact O-N 3.38Å; L448-V451 PolarHBondContact O-N 3.26Å; L448-A452 PolarHBondContact O-N 2.88Å; L448-A452 VanDerWaalsContact O-N 3.08Å |
| 449 | A | 84.1 | Confident | 78 | Confident | 10 Ų | 10 | 68.5 Ų | 68.5 | 8% | 0.083 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.1 | -35.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y390 L394 K445 K446 Y453 | Y390-A449 HydrophobicContact CD1-CB 4.04Å; Y390-A449 HydrophobicContact CE1-CB 3.72Å; L394-A449 HydrophobicContact CD2-CB 3.92Å; K445-A449 VanDerWaalsContact O-CB 3.27Å; K445-A449 WeakPolarHBondContact O-CB 3.29Å; K445-A449 PolarHBondContact O-N 2.86Å; K446-A449 CarbonylContact O-C 3.6Å; K446-A449 PolarHBondContact O-N 3.44Å; A449-Y453 WeakPolarHBondContact O-CB 3.44Å; A449-Y453 PolarHBondContact O-N 3.38Å |
| 450 | M | 80.8 | Confident | 75.5 | Confident | 93 Ų | 93 | 70.3 Ų | 70.3 | 46% | 0.458 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 176.2 | -171.8 | 173.3 | 179.8 | 0 | 0 | 110.7 | Y391 K446 A447 L448 Y453 T454 | Y391-M450 HydrophobicContact CE2-CB 4Å; Y391-M450 HydrophobicContact CE2-CG 4.25Å; K446-M450 WeakPolarHBondContact O-CA 3.34Å; K446-M450 WeakPolarHBondContact O-CB 3.46Å; K446-M450 PolarHBondContact O-N 3.4Å; A447-M450 WeakPolarHBondContact O-CB 3.45Å; A447-M450 PolarHBondContact O-N 2.95Å; L448-M450 PolarHBondContact O-N 3.38Å; M450-Y453 CarbonylContact O-C 3.53Å; M450-Y453 PolarHBondContact O-N 3.31Å; M450-T454 HydrophobicContact CE-CG2 4.41Å; M450-T454 HydrophobicContact CG-CG2 4.02Å; M450-T454 WeakPolarHBondContact O-CB 3.19Å; M450-T454 VanDerWaalsContact O-CG2 3.27Å; M450-T454 WeakPolarHBondContact O-CG2 3.38Å; M450-T454 PolarHBondContact O-N 2.7Å; M450-T454 PolarHBondContact O-OG1 3.35Å |
| 451 | V | 79 | Confident | 73 | Confident | 61 Ų | 61 | 68.5 Ų | 68.5 | 37% | 0.37 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.5 | -49.7 | 174.7 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | A447 L448 Y453 T454 W455 | A447-V451 WeakPolarHBondContact O-CG2 3.34Å; A447-V451 PolarHBondContact O-N 3.29Å; L448-V451 PolarHBondContact O-N 3.26Å; V451-Y453 VanDerWaalsContact C-N 3.3Å; V451-Y453 PolarHBondContact O-N 2.96Å; V451-T454 PolarHBondContact O-N 3.35Å; V451-T454 PolarHBondContact O-OG1 3.26Å; V451-T454 VanDerWaalsContact O-OG1 3.11Å; V451-W455 HydrophobicContact CG1-CD2 3.82Å; V451-W455 VanDerWaalsContact CG1-CE2 3.5Å; V451-W455 HydrophobicContact CG1-CE3 4.21Å; V451-W455 HydrophobicContact CG1-CG 4.4Å; V451-W455 HydrophobicContact CG1-CH2 4.05Å; V451-W455 HydrophobicContact CG1-CZ2 3.64Å; V451-W455 HydrophobicContact CG1-CZ3 4.32Å; V451-W455 WeakPolarHBondContact O-CB 3.47Å; V451-W455 PolarHBondContact O-N 3.42Å |
| 452 | A | 74.8 | Confident | 70.4 | Confident | 33 Ų | 33 | 64.8 Ų | 64.8 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F387 L448 L456 | F387-A452 HydrophobicContact CD1-CB 4.49Å; F387-A452 HydrophobicContact CE1-CB 4.39Å; L448-A452 PolarHBondContact O-N 2.88Å; L448-A452 VanDerWaalsContact O-N 3.08Å; A452-L456 WeakPolarHBondContact O-CB 3.31Å; A452-L456 WeakPolarHBondContact O-CD1 3.39Å; A452-L456 WeakPolarHBondContact O-CG 3.42Å; A452-L456 PolarHBondContact O-N 3.34Å; A452-L456 VanDerWaalsContact O-N 3.11Å |
| 453 | Y | 71.7 | Confident | 68.2 | Low | 7 Ų | 7 | 65.5 Ų | 65.5 | 3% | 0.027 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 178.7 | 179.1 | -89.1 | 0 | 0 | 0 | 112.6 | F387 A449 M450 V451 L456 N457 L460 V461 M462 | F387-Y453 HydrophobicContact CB-CD2 3.99Å; A449-Y453 WeakPolarHBondContact O-CB 3.44Å; A449-Y453 PolarHBondContact O-N 3.38Å; M450-Y453 CarbonylContact O-C 3.53Å; M450-Y453 PolarHBondContact O-N 3.31Å; V451-Y453 VanDerWaalsContact C-N 3.3Å; V451-Y453 PolarHBondContact O-N 2.96Å; Y453-L456 PolarHBondContact O-N 3.17Å; Y453-N457 HydrophobicContact CD1-CB 4.44Å; Y453-N457 HydrophobicContact CD2-CB 4.22Å; Y453-N457 WeakPolarHBondContact CD2-ND2 3.47Å; Y453-N457 HydrophobicContact CE1-CB 4.06Å; Y453-N457 HydrophobicContact CE2-CB 3.83Å; Y453-N457 WeakPolarHBondContact CE2-ND2 3.37Å; Y453-N457 HydrophobicContact CG-CB 4.48Å; Y453-N457 VanDerWaalsContact O-CA 3.28Å; Y453-N457 WeakPolarHBondContact O-CA 3.38Å; Y453-N457 WeakPolarHBondContact O-CB 3.41Å; Y453-N457 PolarHBondContact O-N 3.48Å; Y453-L460 PolarHBondContact OH-O 3.28Å; Y453-V461 VanDerWaalsContact OH-C 3.23Å; Y453-V461 PolarHBondContact OH-O 3.27Å; Y453-M462 HydrophobicContact CD1-CG 4.28Å; Y453-M462 HydrophobicContact CE1-CE 4.27Å; Y453-M462 HydrophobicContact CE1-CG 3.41Å; Y453-M462 VanDerWaalsContact CE1-CG 3.41Å |
| 454 | T | 70 | Confident | 66.1 | Low | 56 Ų | 56 | 69.3 Ų | 69.3 | 34% | 0.344 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -73.5 | -35.8 | 179.4 | 53.8 | 0 | 0 | 0 | 0 | 111.8 | M450 V451 E458 | M450-T454 HydrophobicContact CE-CG2 4.41Å; M450-T454 HydrophobicContact CG-CG2 4.02Å; M450-T454 WeakPolarHBondContact O-CB 3.19Å; M450-T454 VanDerWaalsContact O-CG2 3.27Å; M450-T454 WeakPolarHBondContact O-CG2 3.38Å; M450-T454 PolarHBondContact O-N 2.7Å; M450-T454 PolarHBondContact O-OG1 3.35Å; V451-T454 PolarHBondContact O-N 3.35Å; V451-T454 PolarHBondContact O-OG1 3.26Å; V451-T454 VanDerWaalsContact O-OG1 3.11Å; T454-E458 PolarHBondContact O-N 3.04Å |
| 455 | W | 65.4 | Low | 63.8 | Low | 185 Ų | 185 | 66.9 Ų | 66.9 | 70% | 0.701 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.2 | -39.4 | 173.3 | -72.1 | -3.7 | 0 | 0 | 0 | 112.2 | V451 L472 | V451-W455 HydrophobicContact CG1-CD2 3.82Å; V451-W455 VanDerWaalsContact CG1-CE2 3.5Å; V451-W455 HydrophobicContact CG1-CE3 4.21Å; V451-W455 HydrophobicContact CG1-CG 4.4Å; V451-W455 HydrophobicContact CG1-CH2 4.05Å; V451-W455 HydrophobicContact CG1-CZ2 3.64Å; V451-W455 HydrophobicContact CG1-CZ3 4.32Å; V451-W455 WeakPolarHBondContact O-CB 3.47Å; V451-W455 PolarHBondContact O-N 3.42Å; W455-L472 WeakPolarHBondContact O-CD2 3.37Å |
| 456 | L | 59.8 | Low | 61.3 | Low | 71 Ų | 71 | 65.3 Ų | 65.3 | 37% | 0.372 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -89.1 | -40.7 | -176.9 | -75.9 | 160.3 | 0 | 0 | 0 | 113.7 | I383 F387 A452 Y453 | I383-L456 HydrophobicContact CG2-CB 3.91Å; I383-L456 HydrophobicContact CG2-CD2 4.26Å; F387-L456 HydrophobicContact CD1-CD1 3.78Å; F387-L456 HydrophobicContact CD2-CD1 3.74Å; F387-L456 HydrophobicContact CE1-CD1 3.39Å; F387-L456 HydrophobicContact CE2-CD1 3.37Å; F387-L456 HydrophobicContact CG-CD1 3.94Å; F387-L456 HydrophobicContact CZ-CD1 3.18Å; A452-L456 WeakPolarHBondContact O-CB 3.31Å; A452-L456 WeakPolarHBondContact O-CD1 3.39Å; A452-L456 WeakPolarHBondContact O-CG 3.42Å; A452-L456 PolarHBondContact O-N 3.34Å; A452-L456 VanDerWaalsContact O-N 3.11Å; Y453-L456 PolarHBondContact O-N 3.17Å |
| 457 | N | 56.3 | Low | 59.1 | Low | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | trans | -109.6 | 42.2 | -175.8 | -61 | -61.6 | 0 | 0 | 0 | 111.6 | S384 Y453 A459 S469 | S384-N457 WeakPolarHBondContact CA-OD1 3.37Å; S384-N457 PolarHBondContact N-OD1 3.26Å; S384-N457 PolarHBondContact OG-OD1 2.92Å; Y453-N457 HydrophobicContact CD1-CB 4.44Å; Y453-N457 HydrophobicContact CD2-CB 4.22Å; Y453-N457 WeakPolarHBondContact CD2-ND2 3.47Å; Y453-N457 HydrophobicContact CE1-CB 4.06Å; Y453-N457 HydrophobicContact CE2-CB 3.83Å; Y453-N457 WeakPolarHBondContact CE2-ND2 3.37Å; Y453-N457 HydrophobicContact CG-CB 4.48Å; Y453-N457 VanDerWaalsContact O-CA 3.28Å; Y453-N457 WeakPolarHBondContact O-CA 3.38Å; Y453-N457 WeakPolarHBondContact O-CB 3.41Å; Y453-N457 PolarHBondContact O-N 3.48Å; N457-A459 WeakPolarHBondContact CB-O 3.22Å; N457-A459 CarbonylContact O-C 3.54Å; N457-A459 PolarHBondContact O-N 3.07Å; N457-S469 WeakPolarHBondContact O-CB 3.28Å | ||
| 458 | E | 52.2 | Low | 56.9 | Low | 42 Ų | 42 | 75.1 Ų | 75.1 | 20% | 0.196 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -64.5 | 44.3 | 141.4 | -120.9 | -170.1 | 162.3 | 0 | 0 | 110.9 | T454 S469 L470 Q471 L472 | T454-E458 PolarHBondContact O-N 3.04Å; E458-S469 VanDerWaalsContact C-C 3.48Å; E458-S469 CarbonylContact C-O 3.57Å; E458-L470 VanDerWaalsContact C-CA 3.42Å; E458-L470 CarbonylContact O-C 3.52Å; E458-L470 WeakPolarHBondContact O-CA 3.47Å; E458-Q471 VanDerWaalsContact CD-N 3.31Å; E458-Q471 HydrophobicContact CG-CB 4.27Å; E458-Q471 VanDerWaalsContact CG-N 3.27Å; E458-Q471 PolarHBondContact O-N 3.05Å; E458-Q471 VanDerWaalsContact O-N 3.14Å; E458-Q471 WeakPolarHBondContact OE1-CB 3.43Å; E458-Q471 WeakPolarHBondContact OE1-CG 3.22Å; E458-Q471 PolarHBondContact OE1-OE1 3.12Å; E458-Q471 WeakPolarHBondContact OE2-CB 3.49Å; E458-L472 HydrophobicContact CB-CB 4.05Å; E458-L472 PolarHBondContact OE2-N 3.18Å |
| 459 | A | 44.3 | Very low | 55 | Low | 4 Ų | 4 | 70.4 Ų | 70.4 | 3% | 0.033 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -167.5 | 113.7 | 172 | 0 | 0 | 0 | 0 | 0 | 105.7 | I380 N457 S469 F473 | I380-A459 HydrophobicContact CG2-CB 3.94Å; N457-A459 WeakPolarHBondContact CB-O 3.22Å; N457-A459 CarbonylContact O-C 3.54Å; N457-A459 PolarHBondContact O-N 3.07Å; A459-S469 WeakPolarHBondContact CA-O 3.41Å; A459-S469 PolarHBondContact N-O 3.13Å; A459-F473 HydrophobicContact CB-CB 3.82Å; A459-F473 HydrophobicContact CB-CG 4.43Å |
| 460 | L | 40.1 | Very low | 53.3 | Low | 50 Ų | 50 | 72.3 Ų | 72.3 | 26% | 0.262 | 40% | 0.396 | S | S | . | . | S | Bend | trans | 79.9 | 110.9 | 160.5 | -128.7 | 88.5 | 0 | 0 | 0 | 119.2 | I380 Y453 | I380-L460 HydrophobicContact CG2-CB 4.11Å; I380-L460 HydrophobicContact CG2-CD2 4.47Å; Y453-L460 PolarHBondContact OH-O 3.28Å |
| 461 | V | 39.2 | Very low | 52.2 | Low | 57 Ų | 57 | 73.2 Ų | 73.2 | 35% | 0.345 | 40% | 0.399 | S | S | . | . | trans | 75.4 | 75.8 | 151.1 | -157.8 | 0 | 0 | 0 | 0 | 118.7 | Y453 V463 | Y453-V461 VanDerWaalsContact OH-C 3.23Å; Y453-V461 PolarHBondContact OH-O 3.27Å; V461-V463 HydrophobicContact CG1-CG2 3.83Å | ||
| 462 | M | 38.5 | Very low | 51.5 | Low | 69 Ų | 69 | 74.2 Ų | 74.2 | 34% | 0.34 | 40% | 0.402 | S | S | . | . | trans | -111 | 116.2 | 147 | -93.7 | -73.8 | 120.6 | 0 | 0 | 110.4 | Y391 Y453 E464 | Y391-M462 HydrophobicContact CD1-CE 3.09Å; Y391-M462 HydrophobicContact CD1-SD 3.73Å; Y391-M462 HydrophobicContact CE1-CE 3.24Å; Y391-M462 HydrophobicContact CE1-SD 3.14Å; Y391-M462 WeakPolarHBondContact CE1-SD 3.31Å; Y391-M462 HydrophobicContact CG-CE 4.02Å; Y453-M462 HydrophobicContact CD1-CG 4.28Å; Y453-M462 HydrophobicContact CE1-CE 4.27Å; Y453-M462 HydrophobicContact CE1-CG 3.41Å; Y453-M462 VanDerWaalsContact CE1-CG 3.41Å; M462-E464 PolarHBondContact O-N 3.42Å | ||
| 463 | V | 43.5 | Very low | 51.1 | Low | 56 Ų | 56 | 74 Ų | 74 | 34% | 0.339 | 40% | 0.395 | S | S | . | . | trans | -80.4 | -0.2 | -165.7 | 150.4 | 0 | 0 | 0 | 0 | 115 | V461 T521 | V461-V463 HydrophobicContact CG1-CG2 3.83Å; V463-T521 HydrophobicContact CG1-CG2 4.35Å | ||
| 464 | E | 46.3 | Very low | 50.9 | Low | 165 Ų | 165 | 75 Ų | 75 | 77% | 0.771 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -135.4 | -8.7 | -167.8 | -96.8 | 172.2 | -166.5 | 0 | 0 | 121 | M462 | M462-E464 PolarHBondContact O-N 3.42Š|
| 465 | A | 42.4 | Very low | 51.3 | Low | 83 Ų | 83 | 76.5 Ų | 76.5 | 69% | 0.686 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -174.9 | 138.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 466 | S | 39.2 | Very low | 52 | Low | 105 Ų | 105 | 71.4 Ų | 71.4 | 73% | 0.734 | 39% | 0.394 | S | S | * | . | trans | 82.7 | 126.7 | 169 | 77.8 | 0 | 0 | 0 | 0 | 117.7 | I468 | S466-I468 VanDerWaalsContact C-N 3.3Å; S466-I468 PolarHBondContact O-N 3.16Å; S466-I468 VanDerWaalsContact O-N 3.11Å | ||
| 467 | N | 40.4 | Very low | 53.1 | Low | 173 Ų | 173 | 69.2 Ų | 69.2 | 93% | 0.925 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -80.3 | 42.3 | -172 | -73.8 | -37.2 | 0 | 0 | 0 | 114.3 | ||
| 468 | I | 39.8 | Very low | 54.4 | Low | 124 Ų | 124 | 71.9 Ų | 71.9 | 64% | 0.636 | 40% | 0.396 | S | S | * | . | trans | -139.9 | 89.1 | -172 | -48.8 | 174.1 | 0 | 0 | 0 | 111 | S466 | S466-I468 VanDerWaalsContact C-N 3.3Å; S466-I468 PolarHBondContact O-N 3.16Å; S466-I468 VanDerWaalsContact O-N 3.11Å | ||
| 469 | S | 47.3 | Very low | 56.1 | Low | 33 Ų | 33 | 74.4 Ų | 74.4 | 23% | 0.231 | 42% | 0.415 | C | S | . | . | trans | -166.8 | 62 | 163.7 | 65.7 | 0 | 0 | 0 | 0 | 112.4 | N457 E458 A459 | N457-S469 WeakPolarHBondContact O-CB 3.28Å; E458-S469 VanDerWaalsContact C-C 3.48Å; E458-S469 CarbonylContact C-O 3.57Å; A459-S469 WeakPolarHBondContact CA-O 3.41Å; A459-S469 PolarHBondContact N-O 3.13Å | ||
| 470 | L | 47.8 | Very low | 58.1 | Low | 50 Ų | 50 | 77.5 Ų | 77.5 | 26% | 0.262 | 43% | 0.43 | S | S | . | . | trans | -135.9 | 19.8 | 170 | -141 | 107.9 | 0 | 0 | 0 | 116.4 | E458 S474 I514 | E458-L470 VanDerWaalsContact C-CA 3.42Å; E458-L470 CarbonylContact O-C 3.52Å; E458-L470 WeakPolarHBondContact O-CA 3.47Å; L470-S474 WeakPolarHBondContact O-CB 3.33Å; L470-I514 HydrophobicContact CB-CD1 3.97Å; L470-I514 HydrophobicContact CD1-CD1 3.76Å; L470-I514 HydrophobicContact CD1-CG1 3.63Å; L470-I514 HydrophobicContact CD2-CD1 4.11Å; L470-I514 HydrophobicContact CG-CD1 4.13Å | ||
| 471 | Q | 58.3 | Low | 60.4 | Low | 113 Ų | 113 | 75.1 Ų | 75.1 | 53% | 0.528 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -91.4 | -59.3 | -171 | -39.8 | 173.6 | 6.3 | 0 | 0 | 114.9 | E458 F473 S474 L475 | E458-Q471 VanDerWaalsContact CD-N 3.31Å; E458-Q471 HydrophobicContact CG-CB 4.27Å; E458-Q471 VanDerWaalsContact CG-N 3.27Å; E458-Q471 PolarHBondContact O-N 3.05Å; E458-Q471 VanDerWaalsContact O-N 3.14Å; E458-Q471 WeakPolarHBondContact OE1-CB 3.43Å; E458-Q471 WeakPolarHBondContact OE1-CG 3.22Å; E458-Q471 PolarHBondContact OE1-OE1 3.12Å; E458-Q471 WeakPolarHBondContact OE2-CB 3.49Å; Q471-F473 PolarHBondContact O-N 3.11Å; Q471-S474 CarbonylContact O-C 3.58Å; Q471-S474 WeakPolarHBondContact O-CB 3.43Å; Q471-S474 PolarHBondContact O-N 3.38Å; Q471-L475 HydrophobicContact CB-CD1 4.3Å; Q471-L475 WeakPolarHBondContact O-CB 3.3Å; Q471-L475 WeakPolarHBondContact O-CG 3.29Å; Q471-L475 PolarHBondContact O-N 2.9Å |
| 472 | L | 63.4 | Low | 62.8 | Low | 82 Ų | 82 | 76.3 Ų | 76.3 | 43% | 0.429 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -56.4 | -51.8 | -171.4 | -167.9 | 74.1 | 0 | 0 | 0 | 114.6 | W455 E458 S474 L475 I476 | W455-L472 WeakPolarHBondContact O-CD2 3.37Å; E458-L472 HydrophobicContact CB-CB 4.05Å; E458-L472 PolarHBondContact OE2-N 3.18Å; L472-S474 VanDerWaalsContact C-N 3.34Å; L472-L475 WeakPolarHBondContact O-CB 3.38Å; L472-L475 PolarHBondContact O-N 3Å; L472-I476 HydrophobicContact CG-CD1 4.35Å; L472-I476 WeakPolarHBondContact O-CG1 3.43Å; L472-I476 PolarHBondContact O-N 3.46Å |
| 473 | F | 67 | Low | 65.2 | Low | 27 Ų | 27 | 82.2 Ų | 82.2 | 12% | 0.118 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -69.5 | -36.6 | -179.4 | -167.1 | -93.7 | 0 | 0 | 0 | 111.5 | A376 L379 I380 A459 Q471 L475 I476 I477 | A376-F473 HydrophobicContact CB-CE1 3.71Å; A376-F473 HydrophobicContact CB-CZ 3.79Å; A376-F473 WeakPolarHBondContact O-CZ 3.29Å; L379-F473 HydrophobicContact CB-CZ 4.37Å; I380-F473 HydrophobicContact CD1-CD1 3.45Å; I380-F473 VanDerWaalsContact CD1-CD1 3.45Å; I380-F473 HydrophobicContact CD1-CE1 3.3Å; I380-F473 HydrophobicContact CD1-CZ 4.25Å; I380-F473 HydrophobicContact CG1-CD1 3.33Å; I380-F473 HydrophobicContact CG1-CD2 4.41Å; I380-F473 HydrophobicContact CG1-CE1 3.05Å; I380-F473 HydrophobicContact CG1-CE2 4.2Å; I380-F473 HydrophobicContact CG1-CG 4.03Å; I380-F473 HydrophobicContact CG1-CZ 3.54Å; A459-F473 HydrophobicContact CB-CB 3.82Å; A459-F473 HydrophobicContact CB-CG 4.43Å; Q471-F473 PolarHBondContact O-N 3.11Å; F473-L475 VanDerWaalsContact C-N 3.28Å; F473-L475 PolarHBondContact O-N 3.27Å; F473-I476 PolarHBondContact O-N 3.1Å; F473-I477 HydrophobicContact CD1-CD1 3.4Å; F473-I477 VanDerWaalsContact CD1-CD1 3.4Å; F473-I477 HydrophobicContact CD1-CG1 3.86Å; F473-I477 HydrophobicContact CE1-CD1 3.3Å; F473-I477 HydrophobicContact CE1-CG1 3.61Å; F473-I477 HydrophobicContact CZ-CD1 4.44Å; F473-I477 HydrophobicContact CZ-CG1 4.36Å; F473-I477 VanDerWaalsContact O-CG1 3.3Å; F473-I477 WeakPolarHBondContact O-CG1 3.4Å; F473-I477 PolarHBondContact O-N 2.95Å |
| 474 | S | 68.6 | Low | 67.4 | Low | 29 Ų | 29 | 80 Ų | 80 | 20% | 0.203 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.9 | -36.8 | 172.5 | -171.2 | 0 | 0 | 0 | 0 | 111.8 | L470 Q471 L472 I477 L478 | L470-S474 WeakPolarHBondContact O-CB 3.33Å; Q471-S474 CarbonylContact O-C 3.58Å; Q471-S474 WeakPolarHBondContact O-CB 3.43Å; Q471-S474 PolarHBondContact O-N 3.38Å; L472-S474 VanDerWaalsContact C-N 3.34Å; S474-I477 PolarHBondContact O-N 3.23Å; S474-L478 VanDerWaalsContact O-CB 3.22Å; S474-L478 WeakPolarHBondContact O-CB 3.32Å; S474-L478 PolarHBondContact O-N 3.39Å |
| 475 | L | 77.3 | Confident | 69.5 | Low | 87 Ų | 87 | 72.2 Ų | 72.2 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.7 | -41.1 | 174.4 | -72.2 | 171.7 | 0 | 0 | 0 | 111.5 | Q471 L472 F473 L478 V479 | Q471-L475 HydrophobicContact CB-CD1 4.3Å; Q471-L475 WeakPolarHBondContact O-CB 3.3Å; Q471-L475 WeakPolarHBondContact O-CG 3.29Å; Q471-L475 PolarHBondContact O-N 2.9Å; L472-L475 WeakPolarHBondContact O-CB 3.38Å; L472-L475 PolarHBondContact O-N 3Å; F473-L475 VanDerWaalsContact C-N 3.28Å; F473-L475 PolarHBondContact O-N 3.27Å; L475-L478 HydrophobicContact CD2-CD2 4.23Å; L475-L478 WeakPolarHBondContact O-CB 3.44Å; L475-L478 PolarHBondContact O-N 2.81Å; L475-V479 VanDerWaalsContact O-CG2 3.3Å; L475-V479 WeakPolarHBondContact O-CG2 3.49Å; L475-V479 PolarHBondContact O-N 3.3Å |
| 476 | I | 80.9 | Confident | 71.7 | Confident | 79 Ų | 79 | 69.3 Ų | 69.3 | 41% | 0.405 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 173.8 | -68.7 | 167.2 | 0 | 0 | 0 | 110 | L472 F473 L478 V479 I480 | L472-I476 HydrophobicContact CG-CD1 4.35Å; L472-I476 WeakPolarHBondContact O-CG1 3.43Å; L472-I476 PolarHBondContact O-N 3.46Å; F473-I476 PolarHBondContact O-N 3.1Å; I476-L478 VanDerWaalsContact C-N 3.3Å; I476-L478 PolarHBondContact O-N 3.31Å; I476-V479 PolarHBondContact O-N 2.76Å; I476-I480 HydrophobicContact CG2-CD1 3.71Å; I476-I480 HydrophobicContact CG2-CG1 4.43Å; I476-I480 WeakPolarHBondContact O-CB 3.27Å; I476-I480 VanDerWaalsContact O-CG1 3.26Å; I476-I480 WeakPolarHBondContact O-CG1 3.11Å; I476-I480 PolarHBondContact O-N 3.36Å |
| 477 | I | 81.8 | Confident | 74.1 | Confident | 25 Ų | 25 | 67.8 Ų | 67.8 | 13% | 0.128 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 175 | -61.2 | 162.3 | 0 | 0 | 0 | 110 | N373 A376 F473 S474 V479 I480 V481 Q506 | N373-I477 VanDerWaalsContact OD1-CG2 3.3Å; N373-I477 WeakPolarHBondContact OD1-CG2 3.44Å; A376-I477 HydrophobicContact CB-CD1 3.97Å; A376-I477 HydrophobicContact CB-CG1 3.86Å; F473-I477 HydrophobicContact CD1-CD1 3.4Å; F473-I477 VanDerWaalsContact CD1-CD1 3.4Å; F473-I477 HydrophobicContact CD1-CG1 3.86Å; F473-I477 HydrophobicContact CE1-CD1 3.3Å; F473-I477 HydrophobicContact CE1-CG1 3.61Å; F473-I477 HydrophobicContact CZ-CD1 4.44Å; F473-I477 HydrophobicContact CZ-CG1 4.36Å; F473-I477 VanDerWaalsContact O-CG1 3.3Å; F473-I477 WeakPolarHBondContact O-CG1 3.4Å; F473-I477 PolarHBondContact O-N 2.95Å; S474-I477 PolarHBondContact O-N 3.23Å; I477-V479 VanDerWaalsContact C-N 3.34Å; I477-V479 PolarHBondContact O-N 2.93Å; I477-I480 PolarHBondContact O-N 3.25Å; I477-V481 HydrophobicContact CG2-CG2 3.84Å; I477-V481 VanDerWaalsContact O-CB 3.31Å; I477-V481 WeakPolarHBondContact O-CB 3.43Å; I477-V481 VanDerWaalsContact O-CG2 3.24Å; I477-V481 WeakPolarHBondContact O-CG2 3.29Å; I477-V481 PolarHBondContact O-N 3.02Å; I477-Q506 VanDerWaalsContact CG2-NE2 3.3Å |
| 478 | L | 84.6 | Confident | 76.4 | Confident | 56 Ų | 56 | 59.8 Ų | 59.8 | 29% | 0.293 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.9 | -46.1 | 177.8 | 177.6 | 65.7 | 0 | 0 | 0 | 111.4 | S474 L475 I476 V481 L482 L503 | S474-L478 VanDerWaalsContact O-CB 3.22Å; S474-L478 WeakPolarHBondContact O-CB 3.32Å; S474-L478 PolarHBondContact O-N 3.39Å; L475-L478 HydrophobicContact CD2-CD2 4.23Å; L475-L478 WeakPolarHBondContact O-CB 3.44Å; L475-L478 PolarHBondContact O-N 2.81Å; I476-L478 VanDerWaalsContact C-N 3.3Å; I476-L478 PolarHBondContact O-N 3.31Å; L478-V481 PolarHBondContact O-N 2.82Å; L478-L482 HydrophobicContact CD1-CD1 4.11Å; L478-L482 HydrophobicContact CD1-CG 4.27Å; L478-L482 HydrophobicContact CG-CD1 4.02Å; L478-L482 VanDerWaalsContact O-CB 3.3Å; L478-L482 WeakPolarHBondContact O-CB 3.37Å; L478-L482 VanDerWaalsContact O-CG 3.26Å; L478-L482 WeakPolarHBondContact O-CG 3.5Å; L478-L482 PolarHBondContact O-N 3.4Å; L478-L503 HydrophobicContact CD1-CD2 3.67Å |
| 479 | V | 87.3 | Confident | 78.7 | Confident | 96 Ų | 96 | 55.2 Ų | 55.2 | 58% | 0.582 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63.1 | -43.9 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | L475 I476 I477 L482 W483 | L475-V479 VanDerWaalsContact O-CG2 3.3Å; L475-V479 WeakPolarHBondContact O-CG2 3.49Å; L475-V479 PolarHBondContact O-N 3.3Å; I476-V479 PolarHBondContact O-N 2.76Å; I477-V479 VanDerWaalsContact C-N 3.34Å; I477-V479 PolarHBondContact O-N 2.93Å; V479-L482 PolarHBondContact O-N 3Å; V479-W483 VanDerWaalsContact O-CB 3.24Å; V479-W483 WeakPolarHBondContact O-CB 3.35Å; V479-W483 PolarHBondContact O-N 2.84Å |
| 480 | I | 86.8 | Confident | 80.7 | Confident | 68 Ų | 68 | 60.5 Ų | 60.5 | 35% | 0.349 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 177.4 | -69 | 167.4 | 0 | 0 | 0 | 110.9 | M372 I476 I477 W483 Y484 | M372-I480 HydrophobicContact CG-CG2 4.15Å; M372-I480 HydrophobicContact SD-CG2 4.32Å; I476-I480 HydrophobicContact CG2-CD1 3.71Å; I476-I480 HydrophobicContact CG2-CG1 4.43Å; I476-I480 WeakPolarHBondContact O-CB 3.27Å; I476-I480 VanDerWaalsContact O-CG1 3.26Å; I476-I480 WeakPolarHBondContact O-CG1 3.11Å; I476-I480 PolarHBondContact O-N 3.36Å; I477-I480 PolarHBondContact O-N 3.25Å; I480-W483 PolarHBondContact O-N 3.35Å; I480-Y484 VanDerWaalsContact O-CB 3.23Å; I480-Y484 WeakPolarHBondContact O-CB 3.23Å; I480-Y484 PolarHBondContact O-N 3.4Å |
| 481 | V | 87.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68 | -37.4 | 179.2 | 169 | 0 | 0 | 0 | 0 | 110.9 | L369 I477 L478 G485 Y502 L503 | L369-V481 HydrophobicContact CD2-CG1 4.31Å; I477-V481 HydrophobicContact CG2-CG2 3.84Å; I477-V481 VanDerWaalsContact O-CB 3.31Å; I477-V481 WeakPolarHBondContact O-CB 3.43Å; I477-V481 VanDerWaalsContact O-CG2 3.24Å; I477-V481 WeakPolarHBondContact O-CG2 3.29Å; I477-V481 PolarHBondContact O-N 3.02Å; L478-V481 PolarHBondContact O-N 2.82Å; V481-G485 WeakPolarHBondContact O-CA 3.17Å; V481-G485 PolarHBondContact O-N 2.88Å; V481-Y502 HydrophobicContact CG1-CD1 3.95Å; V481-Y502 HydrophobicContact CG1-CE1 3.84Å; V481-L503 HydrophobicContact CB-CD2 4.49Å; V481-L503 HydrophobicContact CG1-CD2 3.65Å |
| 482 | L | 89.2 | Confident | 83.8 | Confident | 82 Ų | 82 | 60.2 Ų | 60.2 | 43% | 0.429 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.5 | -42.6 | 173.7 | -77.1 | 172 | 0 | 0 | 0 | 112 | L478 V479 G486 L503 | L478-L482 HydrophobicContact CD1-CD1 4.11Å; L478-L482 HydrophobicContact CD1-CG 4.27Å; L478-L482 HydrophobicContact CG-CD1 4.02Å; L478-L482 VanDerWaalsContact O-CB 3.3Å; L478-L482 WeakPolarHBondContact O-CB 3.37Å; L478-L482 VanDerWaalsContact O-CG 3.26Å; L478-L482 WeakPolarHBondContact O-CG 3.5Å; L478-L482 PolarHBondContact O-N 3.4Å; V479-L482 PolarHBondContact O-N 3Å; L482-G486 WeakPolarHBondContact O-CA 3.48Å; L482-G486 PolarHBondContact O-N 3.38Å; L482-L503 HydrophobicContact CD2-CD1 3.66Å; L482-L503 HydrophobicContact CD2-CD2 4.28Å; L482-L503 HydrophobicContact CG-CD2 4.41Å |
| 483 | W | 90.2 | Very high | 84.8 | Confident | 193 Ų | 193 | 61.9 Ų | 61.9 | 73% | 0.731 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.3 | -54.1 | 179 | 179.1 | 76.2 | 0 | 0 | 0 | 111.5 | V479 I480 G486 H487 | V479-W483 VanDerWaalsContact O-CB 3.24Å; V479-W483 WeakPolarHBondContact O-CB 3.35Å; V479-W483 PolarHBondContact O-N 2.84Å; I480-W483 PolarHBondContact O-N 3.35Å; W483-G486 PolarHBondContact O-N 2.91Å; W483-H487 PolarHBondContact O-N 3.22Å |
| 484 | Y | 89.6 | Confident | 85.7 | Confident | 11 Ų | 11 | 60.9 Ų | 60.9 | 4% | 0.043 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.3 | -40.5 | -179.8 | -171.9 | -120.2 | 0 | 0 | 0 | 112.2 | L107 E111 Q368 L369 M372 I480 G486 H487 L488 | L107-Y484 HydrophobicContact CD2-CE1 4.16Å; E111-Y484 WeakPolarHBondContact OE1-CE2 3.43Å; E111-Y484 PolarHBondContact OE1-OH 3.31Å; Q368-Y484 HydrophobicContact CB-CE1 4.47Å; L369-Y484 HydrophobicContact CD2-CD1 3.7Å; L369-Y484 HydrophobicContact CD2-CE1 4.47Å; M372-Y484 HydrophobicContact CE-CD1 3.64Å; M372-Y484 HydrophobicContact CE-CD2 4.39Å; M372-Y484 HydrophobicContact CE-CE1 3.92Å; M372-Y484 HydrophobicContact CE-CG 3.92Å; I480-Y484 VanDerWaalsContact O-CB 3.23Å; I480-Y484 WeakPolarHBondContact O-CB 3.23Å; I480-Y484 PolarHBondContact O-N 3.4Å; Y484-G486 VanDerWaalsContact C-N 3.32Å; Y484-G486 PolarHBondContact O-N 3.49Å; Y484-H487 WeakPolarHBondContact O-CB 3.32Å; Y484-H487 PolarHBondContact O-N 3.31Å; Y484-L488 HydrophobicContact CD1-CD1 4Å; Y484-L488 HydrophobicContact CD1-CG 4.47Å; Y484-L488 HydrophobicContact CE1-CD1 3.69Å; Y484-L488 HydrophobicContact CE1-CG 4.16Å; Y484-L488 WeakPolarHBondContact O-CG 3.13Å; Y484-L488 PolarHBondContact O-N 3.41Å |
| 485 | G | 90 | Very high | 86.5 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V481 L488 V489 | V481-G485 WeakPolarHBondContact O-CA 3.17Å; V481-G485 PolarHBondContact O-N 2.88Å; G485-L488 PolarHBondContact O-N 3.47Å; G485-V489 WeakPolarHBondContact O-CG2 3.42Å; G485-V489 PolarHBondContact O-N 3.5Å |
| 486 | G | 89.1 | Confident | 86.6 | Confident | 23 Ų | 23 | 62.7 Ų | 62.7 | 24% | 0.237 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L482 W483 Y484 V489 I490 | L482-G486 WeakPolarHBondContact O-CA 3.48Å; L482-G486 PolarHBondContact O-N 3.38Å; W483-G486 PolarHBondContact O-N 2.91Å; Y484-G486 VanDerWaalsContact C-N 3.32Å; Y484-G486 PolarHBondContact O-N 3.49Å; G486-V489 WeakPolarHBondContact O-CB 3.22Å; G486-V489 PolarHBondContact O-N 3.28Å; G486-I490 VanDerWaalsContact O-CG1 3.29Å; G486-I490 WeakPolarHBondContact O-CG1 3.15Å; G486-I490 PolarHBondContact O-N 2.81Å |
| 487 | H | 89.9 | Confident | 86.8 | Confident | 73 Ų | 73 | 62.3 Ų | 62.3 | 34% | 0.338 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 173.6 | 178.6 | -101.1 | 0 | 0 | 0 | 112.4 | W483 Y484 V489 I490 I491 | W483-H487 PolarHBondContact O-N 3.22Å; Y484-H487 WeakPolarHBondContact O-CB 3.32Å; Y484-H487 PolarHBondContact O-N 3.31Å; H487-V489 VanDerWaalsContact C-N 3.27Å; H487-V489 PolarHBondContact O-N 2.99Å; H487-I490 PolarHBondContact O-N 2.9Å; H487-I490 VanDerWaalsContact O-N 3.13Å; H487-I491 WeakPolarHBondContact CE1-CD1 3.42Å; H487-I491 WeakPolarHBondContact NE2-CD1 3.31Å; H487-I491 WeakPolarHBondContact O-CG1 3.47Å; H487-I491 PolarHBondContact O-N 3.24Å |
| 488 | L | 87.7 | Confident | 87.2 | Confident | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.2 | -33.9 | 176.1 | -71.4 | 174.8 | 0 | 0 | 0 | 112.8 | Q368 L369 Y484 G485 G492 H493 L494 | Q368-L488 HydrophobicContact CB-CD1 4.05Å; Q368-L488 VanDerWaalsContact OE1-CD2 3.24Å; L369-L488 HydrophobicContact CD2-CD1 4.17Å; L369-L488 HydrophobicContact CG-CD1 3.99Å; Y484-L488 HydrophobicContact CD1-CD1 4Å; Y484-L488 HydrophobicContact CD1-CG 4.47Å; Y484-L488 HydrophobicContact CE1-CD1 3.69Å; Y484-L488 HydrophobicContact CE1-CG 4.16Å; Y484-L488 WeakPolarHBondContact O-CG 3.13Å; Y484-L488 PolarHBondContact O-N 3.41Å; G485-L488 PolarHBondContact O-N 3.47Å; L488-G492 PolarHBondContact O-N 2.94Å; L488-G492 VanDerWaalsContact O-N 3.16Å; L488-H493 HydrophobicContact CD2-CB 4.07Å; L488-H493 PolarHBondContact O-N 2.7Å; L488-L494 HydrophobicContact CB-CB 3.91Å; L488-L494 PolarHBondContact O-N 2.94Å; L488-L494 VanDerWaalsContact O-N 3.17Å |
| 489 | V | 88.2 | Confident | 87.4 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 17% | 0.17 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.9 | -44.2 | 172.6 | 165 | 0 | 0 | 0 | 0 | 111.4 | G485 G486 H487 I491 G492 L494 N496 L499 | G485-V489 WeakPolarHBondContact O-CG2 3.42Å; G485-V489 PolarHBondContact O-N 3.5Å; G486-V489 WeakPolarHBondContact O-CB 3.22Å; G486-V489 PolarHBondContact O-N 3.28Å; H487-V489 VanDerWaalsContact C-N 3.27Å; H487-V489 PolarHBondContact O-N 2.99Å; V489-I491 VanDerWaalsContact C-N 3.34Å; V489-I491 PolarHBondContact O-N 3.48Å; V489-G492 PolarHBondContact O-N 2.98Å; V489-L494 WeakPolarHBondContact CA-O 3.38Å; V489-L494 HydrophobicContact CG2-CB 4.09Å; V489-L494 HydrophobicContact CG2-CD2 4.18Å; V489-L494 HydrophobicContact CG2-CG 4.16Å; V489-N496 WeakPolarHBondContact CG1-OD1 3.31Å; V489-L499 HydrophobicContact CG2-CB 4.46Å; V489-L499 HydrophobicContact CG2-CD2 4.25Å |
| 490 | I | 88.4 | Confident | 87.5 | Confident | 144 Ų | 144 | 59.3 Ų | 59.3 | 74% | 0.738 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.2 | -39.2 | 179.6 | -68.1 | 163.5 | 0 | 0 | 0 | 111.7 | G486 H487 G492 | G486-I490 VanDerWaalsContact O-CG1 3.29Å; G486-I490 WeakPolarHBondContact O-CG1 3.15Å; G486-I490 PolarHBondContact O-N 2.81Å; H487-I490 PolarHBondContact O-N 2.9Å; H487-I490 VanDerWaalsContact O-N 3.13Å; I490-G492 PolarHBondContact O-N 3.26Å |
| 491 | I | 87.5 | Confident | 87.8 | Confident | 95 Ų | 95 | 56 Ų | 56 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -7.8 | 177 | -56.1 | -179.3 | 0 | 0 | 0 | 111.6 | H487 V489 H493 | H487-I491 WeakPolarHBondContact CE1-CD1 3.42Å; H487-I491 WeakPolarHBondContact NE2-CD1 3.31Å; H487-I491 WeakPolarHBondContact O-CG1 3.47Å; H487-I491 PolarHBondContact O-N 3.24Å; V489-I491 VanDerWaalsContact C-N 3.34Å; V489-I491 PolarHBondContact O-N 3.48Å; I491-H493 WeakPolarHBondContact CG2-ND1 3.34Å |
| 492 | G | 83.7 | Confident | 88 | Confident | 62 Ų | 62 | 56 Ų | 56 | 64% | 0.639 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | 15.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | L488 V489 I490 | L488-G492 PolarHBondContact O-N 2.94Å; L488-G492 VanDerWaalsContact O-N 3.16Å; V489-G492 PolarHBondContact O-N 2.98Å; I490-G492 PolarHBondContact O-N 3.26Å |
| 493 | H | 84.2 | Confident | 88.1 | Confident | 118 Ų | 118 | 53.5 Ų | 53.5 | 55% | 0.546 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -80.9 | -19.3 | 173.5 | -77.3 | 68 | 0 | 0 | 0 | 112.8 | L488 I491 | L488-H493 HydrophobicContact CD2-CB 4.07Å; L488-H493 PolarHBondContact O-N 2.7Å; I491-H493 WeakPolarHBondContact CG2-ND1 3.34Å |
| 494 | L | 86.9 | Confident | 88.2 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -127.4 | 133.2 | 175.8 | -175.7 | 61.9 | 0 | 0 | 0 | 109.8 | L365 L369 L488 V489 D498 L499 | L365-L494 WeakPolarHBondContact O-CD1 3.48Å; L369-L494 HydrophobicContact CD1-CD2 3.71Å; L488-L494 HydrophobicContact CB-CB 3.91Å; L488-L494 PolarHBondContact O-N 2.94Å; L488-L494 VanDerWaalsContact O-N 3.17Å; V489-L494 WeakPolarHBondContact CA-O 3.38Å; V489-L494 HydrophobicContact CG2-CB 4.09Å; V489-L494 HydrophobicContact CG2-CD2 4.18Å; V489-L494 HydrophobicContact CG2-CG 4.16Å; L494-D498 HydrophobicContact CD1-CB 3.86Å; L494-L499 HydrophobicContact CD2-CB 4.26Å; L494-L499 HydrophobicContact CD2-CD1 4.02Å |
| 495 | S | 85.3 | Confident | 88.4 | Confident | 54 Ų | 54 | 46.2 Ų | 46.2 | 38% | 0.378 | 26% | 0.259 | S | S | . | . | trans | -70.4 | 138.4 | 173.3 | 178 | 0 | 0 | 0 | 0 | 110.6 | K497 D498 L499 | S495-K497 PolarHBondContact O-N 3.02Å; S495-K497 PolarHBondContact OG-N 2.76Å; S495-D498 WeakPolarHBondContact CB-OD2 3.26Å; S495-D498 PolarHBondContact O-N 3.44Å; S495-L499 PolarHBondContact O-N 3.08Å | ||
| 496 | N | 80.4 | Confident | 88.3 | Confident | 99 Ų | 99 | 47.1 Ų | 47.1 | 53% | 0.529 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -54.5 | -27.7 | 174.2 | -54.4 | 26.8 | 0 | 0 | 0 | 111.8 | V489 D498 | V489-N496 WeakPolarHBondContact CG1-OD1 3.31Å; N496-D498 VanDerWaalsContact C-N 3.31Å |
| 497 | K | 84.1 | Confident | 88.2 | Confident | 72 Ų | 72 | 50.5 Ų | 50.5 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -73.8 | -20.5 | 179.4 | -57.5 | -176.6 | 179.9 | -178.2 | 0 | 113.6 | A255 S495 P501 | A255-K497 HydrophobicContact CB-CB 4.13Å; A255-K497 HydrophobicContact CB-CG 4.12Å; S495-K497 PolarHBondContact O-N 3.02Å; S495-K497 PolarHBondContact OG-N 2.76Å; K497-P501 WeakPolarHBondContact O-CD 3.39Å; K497-P501 WeakPolarHBondContact O-CG 3.37Å |
| 498 | D | 89.9 | Confident | 88.2 | Confident | 40 Ų | 40 | 47.9 Ų | 47.9 | 21% | 0.214 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -96.8 | -22 | -174.2 | -64.1 | -25.5 | 0 | 0 | 0 | 112.4 | L365 L494 S495 N496 I500 P501 Y502 | L365-D498 HydrophobicContact CD2-CB 3.98Å; L494-D498 HydrophobicContact CD1-CB 3.86Å; S495-D498 WeakPolarHBondContact CB-OD2 3.26Å; S495-D498 PolarHBondContact O-N 3.44Å; N496-D498 VanDerWaalsContact C-N 3.31Å; D498-I500 PolarHBondContact O-N 3.15Å; D498-P501 WeakPolarHBondContact O-CD 3.25Å; D498-Y502 VanDerWaalsContact O-CB 3.27Å; D498-Y502 WeakPolarHBondContact O-CB 3.36Å; D498-Y502 PolarHBondContact O-N 3.24Å |
| 499 | L | 90 | Very high | 88.3 | Confident | 27 Ų | 27 | 48.7 Ų | 48.7 | 14% | 0.141 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 179.6 | -176.7 | 62.2 | 0 | 0 | 0 | 112.6 | L369 V489 L494 S495 Y502 L503 | L369-L499 HydrophobicContact CD1-CD1 4.38Å; V489-L499 HydrophobicContact CG2-CB 4.46Å; V489-L499 HydrophobicContact CG2-CD2 4.25Å; L494-L499 HydrophobicContact CD2-CB 4.26Å; L494-L499 HydrophobicContact CD2-CD1 4.02Å; S495-L499 PolarHBondContact O-N 3.08Å; L499-Y502 WeakPolarHBondContact O-CB 3.36Å; L499-Y502 PolarHBondContact O-N 3.19Å; L499-L503 WeakPolarHBondContact O-CG 3.31Å; L499-L503 PolarHBondContact O-N 3.25Å |
| 500 | I | 89.8 | Confident | 88 | Confident | 46 Ų | 46 | 48.1 Ų | 48.1 | 24% | 0.236 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.6 | -50.3 | 179.6 | -58.1 | 178 | 0 | 0 | 0 | 111.6 | I254 D498 Y502 L503 L504 | I254-I500 HydrophobicContact CB-CD1 4.28Å; I254-I500 HydrophobicContact CB-CG2 4.5Å; I254-I500 HydrophobicContact CD1-CG2 4.14Å; I254-I500 HydrophobicContact CG2-CD1 3.58Å; D498-I500 PolarHBondContact O-N 3.15Å; I500-Y502 PolarHBondContact O-N 3.25Å; I500-L503 PolarHBondContact O-N 2.97Å; I500-L504 HydrophobicContact CG2-CD1 4.38Å; I500-L504 WeakPolarHBondContact O-CG 3.4Å; I500-L504 PolarHBondContact O-N 3.35Å; I500-L504 VanDerWaalsContact O-N 3.09Å |
| 501 | P | 91.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -49.4 | -44.5 | 169.6 | -28.6 | 33.2 | 0 | 0 | 0 | 113.1 | Y248 L365 K497 D498 L503 L504 Y505 | Y248-P501 HydrophobicContact CD2-CB 4.43Å; L365-P501 HydrophobicContact CD1-CB 3.87Å; K497-P501 WeakPolarHBondContact O-CD 3.39Å; K497-P501 WeakPolarHBondContact O-CG 3.37Å; D498-P501 WeakPolarHBondContact O-CD 3.25Å; P501-L503 PolarHBondContact O-N 3.32Å; P501-L504 PolarHBondContact O-N 3.01Å; P501-Y505 WeakPolarHBondContact O-CD2 3.43Å; P501-Y505 PolarHBondContact O-N 3.48Å |
| 502 | Y | 92.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.4 | -47.7 | 179.6 | -173.9 | -83.2 | 0 | 0 | 0 | 111.9 | M362 L365 L369 T370 N373 V481 D498 L499 I500 L504 Y505 Q506 | M362-Y502 HydrophobicContact CB-CD2 4.35Å; M362-Y502 HydrophobicContact CB-CE2 3.88Å; M362-Y502 HydrophobicContact CE-CE1 4.1Å; M362-Y502 HydrophobicContact CE-CE2 4.06Å; M362-Y502 WeakPolarHBondContact CE-OH 3.19Å; M362-Y502 HydrophobicContact CG-CD2 4.47Å; M362-Y502 HydrophobicContact CG-CE2 4.25Å; L365-Y502 HydrophobicContact CB-CD2 4.24Å; L369-Y502 HydrophobicContact CB-CD1 4.37Å; L369-Y502 HydrophobicContact CB-CD2 4.37Å; L369-Y502 HydrophobicContact CB-CE1 3.66Å; L369-Y502 HydrophobicContact CB-CE2 3.65Å; L369-Y502 WeakPolarHBondContact CB-OH 3.5Å; L369-Y502 HydrophobicContact CD1-CD1 3.89Å; L369-Y502 HydrophobicContact CD1-CD2 4.29Å; L369-Y502 HydrophobicContact CD1-CE1 4.01Å; L369-Y502 HydrophobicContact CD1-CE2 4.38Å; L369-Y502 HydrophobicContact CD1-CG 4.07Å; L369-Y502 HydrophobicContact CG-CE1 4.4Å; L369-Y502 PolarHBondContact O-OH 3.35Å; T370-Y502 VanDerWaalsContact CA-OH 3.3Å; T370-Y502 WeakPolarHBondContact CA-OH 3.36Å; T370-Y502 PolarHBondContact N-OH 3.23Å; N373-Y502 PolarHBondContact ND2-OH 3.05Å; V481-Y502 HydrophobicContact CG1-CD1 3.95Å; V481-Y502 HydrophobicContact CG1-CE1 3.84Å; D498-Y502 VanDerWaalsContact O-CB 3.27Å; D498-Y502 WeakPolarHBondContact O-CB 3.36Å; D498-Y502 PolarHBondContact O-N 3.24Å; L499-Y502 WeakPolarHBondContact O-CB 3.36Å; L499-Y502 PolarHBondContact O-N 3.19Å; I500-Y502 PolarHBondContact O-N 3.25Å; Y502-L504 VanDerWaalsContact C-N 3.34Å; Y502-L504 PolarHBondContact O-N 2.83Å; Y502-Y505 PolarHBondContact O-N 3.43Å; Y502-Q506 PolarHBondContact O-N 3.26Å |
| 503 | L | 90.6 | Very high | 87.9 | Confident | 29 Ų | 29 | 42 Ų | 42 | 15% | 0.152 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -42.1 | 177.1 | -68.9 | 170 | 0 | 0 | 0 | 112.2 | L478 V481 L482 L499 I500 P501 Q506 L507 | L478-L503 HydrophobicContact CD1-CD2 3.67Å; V481-L503 HydrophobicContact CB-CD2 4.49Å; V481-L503 HydrophobicContact CG1-CD2 3.65Å; L482-L503 HydrophobicContact CD2-CD1 3.66Å; L482-L503 HydrophobicContact CD2-CD2 4.28Å; L482-L503 HydrophobicContact CG-CD2 4.41Å; L499-L503 WeakPolarHBondContact O-CG 3.31Å; L499-L503 PolarHBondContact O-N 3.25Å; I500-L503 PolarHBondContact O-N 2.97Å; P501-L503 PolarHBondContact O-N 3.32Å; L503-Q506 WeakPolarHBondContact O-CB 3.25Å; L503-Q506 PolarHBondContact O-N 3.45Å; L503-L507 WeakPolarHBondContact O-CG 3.25Å; L503-L507 PolarHBondContact O-N 3.35Å; L503-L507 VanDerWaalsContact O-N 3.12Å |
| 504 | L | 91.9 | Very high | 87.7 | Confident | 51 Ų | 51 | 40.4 Ų | 40.4 | 27% | 0.267 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.7 | -38.7 | 178 | -63.6 | 176.5 | 0 | 0 | 0 | 112 | P247 T250 I500 P501 Y502 L507 Q508 | P247-L504 HydrophobicContact CB-CB 3.82Å; T250-L504 HydrophobicContact CG2-CD1 3.8Å; I500-L504 HydrophobicContact CG2-CD1 4.38Å; I500-L504 WeakPolarHBondContact O-CG 3.4Å; I500-L504 PolarHBondContact O-N 3.35Å; I500-L504 VanDerWaalsContact O-N 3.09Å; P501-L504 PolarHBondContact O-N 3.01Å; Y502-L504 VanDerWaalsContact C-N 3.34Å; Y502-L504 PolarHBondContact O-N 2.83Å; L504-L507 PolarHBondContact O-N 3.01Å; L504-Q508 PolarHBondContact O-N 3.17Å; L504-Q508 VanDerWaalsContact O-N 3.08Å |
| 505 | Y | 93.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.4 | -35.6 | 173.7 | -81.7 | -64.8 | 0 | 0 | 0 | 113 | I244 P247 Y248 I361 M362 L365 P501 Y502 L507 Q508 L509 | I244-Y505 HydrophobicContact CG2-CE1 4.35Å; I244-Y505 WeakPolarHBondContact O-CE1 3.19Å; I244-Y505 PolarHBondContact O-OH 2.92Å; P247-Y505 HydrophobicContact CB-CD1 4.13Å; P247-Y505 HydrophobicContact CB-CD2 4.29Å; P247-Y505 HydrophobicContact CB-CE1 4Å; P247-Y505 HydrophobicContact CB-CE2 4.14Å; P247-Y505 HydrophobicContact CB-CG 4.27Å; P247-Y505 HydrophobicContact CG-CD1 4.35Å; P247-Y505 HydrophobicContact CG-CE1 4.15Å; Y248-Y505 VanDerWaalsContact CB-OH 3.27Å; Y248-Y505 WeakPolarHBondContact CB-OH 3.33Å; I361-Y505 HydrophobicContact CB-CE1 4.32Å; I361-Y505 HydrophobicContact CB-CE2 4.17Å; I361-Y505 HydrophobicContact CD1-CE1 4.03Å; I361-Y505 WeakPolarHBondContact CD1-OH 3.16Å; I361-Y505 HydrophobicContact CG2-CD2 3.86Å; I361-Y505 HydrophobicContact CG2-CE1 4.29Å; I361-Y505 HydrophobicContact CG2-CE2 3.29Å; M362-Y505 VanDerWaalsContact CG-CB 3.48Å; M362-Y505 HydrophobicContact CG-CG 4.31Å; L365-Y505 HydrophobicContact CD1-CD2 3.86Å; L365-Y505 HydrophobicContact CD1-CE2 4.18Å; P501-Y505 WeakPolarHBondContact O-CD2 3.43Å; P501-Y505 PolarHBondContact O-N 3.48Å; Y502-Y505 PolarHBondContact O-N 3.43Å; Y505-L507 VanDerWaalsContact C-N 3.32Å; Y505-L507 PolarHBondContact O-N 2.84Å; Y505-Q508 PolarHBondContact O-N 3.02Å; Y505-L509 WeakPolarHBondContact O-CB 3.33Å; Y505-L509 PolarHBondContact O-N 3.43Å |
| 506 | Q | 88.7 | Confident | 87.7 | Confident | 18 Ų | 18 | 41.4 Ų | 41.4 | 8% | 0.084 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -41.7 | 173.6 | 179.5 | -174 | -32.4 | 0 | 0 | 111.6 | M362 I477 Y502 L503 L509 G510 | M362-Q506 HydrophobicContact CE-CB 4.01Å; I477-Q506 VanDerWaalsContact CG2-NE2 3.3Å; Y502-Q506 PolarHBondContact O-N 3.26Å; L503-Q506 WeakPolarHBondContact O-CB 3.25Å; L503-Q506 PolarHBondContact O-N 3.45Å; Q506-L509 WeakPolarHBondContact O-CB 3.48Å; Q506-L509 PolarHBondContact O-N 3.35Å; Q506-G510 PolarHBondContact O-N 3.49Å; Q506-G510 VanDerWaalsContact O-N 3.1Å |
| 507 | L | 87.4 | Confident | 87.7 | Confident | 94 Ų | 94 | 38.7 Ų | 38.7 | 49% | 0.492 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.3 | -45.4 | 174 | -66.8 | 175.1 | 0 | 0 | 0 | 111.3 | L503 L504 Y505 L509 G510 E511 | L503-L507 WeakPolarHBondContact O-CG 3.25Å; L503-L507 PolarHBondContact O-N 3.35Å; L503-L507 VanDerWaalsContact O-N 3.12Å; L504-L507 PolarHBondContact O-N 3.01Å; Y505-L507 VanDerWaalsContact C-N 3.32Å; Y505-L507 PolarHBondContact O-N 2.84Å; L507-L509 VanDerWaalsContact C-N 3.32Å; L507-L509 PolarHBondContact O-N 3.4Å; L507-G510 PolarHBondContact O-N 3.42Å; L507-G510 VanDerWaalsContact O-N 3.16Å; L507-E511 PolarHBondContact O-N 3.22Å |
| 508 | Q | 89.8 | Confident | 87.5 | Confident | 19 Ų | 19 | 37.1 Ų | 37.1 | 9% | 0.089 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.1 | -38 | 177 | -175.2 | 174.3 | 55.4 | 0 | 0 | 112.8 | L504 Y505 G510 E511 A512 | L504-Q508 PolarHBondContact O-N 3.17Å; L504-Q508 VanDerWaalsContact O-N 3.08Å; Y505-Q508 PolarHBondContact O-N 3.02Å; Q508-G510 VanDerWaalsContact C-N 3.32Å; Q508-E511 PolarHBondContact O-N 3.14Å; Q508-A512 PolarHBondContact O-N 3.19Å |
| 509 | L | 88.5 | Confident | 87.5 | Confident | 21 Ų | 21 | 35.5 Ų | 35.5 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61 | -43.4 | 174.7 | -176.7 | 71 | 0 | 0 | 0 | 110.8 | L355 L359 M362 Y505 Q506 L507 A512 L513 | L355-L509 HydrophobicContact CG-CD1 4.02Å; L359-L509 HydrophobicContact CD1-CD1 4.4Å; L359-L509 HydrophobicContact CD2-CD1 3.83Å; L359-L509 HydrophobicContact CD2-CD2 3.89Å; L359-L509 HydrophobicContact CG-CD1 3.72Å; M362-L509 HydrophobicContact CE-CD2 4.18Å; M362-L509 HydrophobicContact SD-CB 4.22Å; M362-L509 HydrophobicContact SD-CD2 4Å; Y505-L509 WeakPolarHBondContact O-CB 3.33Å; Y505-L509 PolarHBondContact O-N 3.43Å; Q506-L509 WeakPolarHBondContact O-CB 3.48Å; Q506-L509 PolarHBondContact O-N 3.35Å; L507-L509 VanDerWaalsContact C-N 3.32Å; L507-L509 PolarHBondContact O-N 3.4Å; L509-A512 PolarHBondContact O-N 3.03Å; L509-L513 HydrophobicContact CG-CD1 4.49Å; L509-L513 WeakPolarHBondContact O-CG 2.99Å; L509-L513 PolarHBondContact O-N 3.28Å; L509-L513 VanDerWaalsContact O-N 3.07Å |
| 510 | G | 82.7 | Confident | 87.1 | Confident | 16 Ų | 16 | 40.3 Ų | 40.3 | 17% | 0.165 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.2 | -48 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q506 L507 Q508 A512 L513 I514 | Q506-G510 PolarHBondContact O-N 3.49Å; Q506-G510 VanDerWaalsContact O-N 3.1Å; L507-G510 PolarHBondContact O-N 3.42Å; L507-G510 VanDerWaalsContact O-N 3.16Å; Q508-G510 VanDerWaalsContact C-N 3.32Å; G510-A512 VanDerWaalsContact C-N 3.32Å; G510-A512 PolarHBondContact O-N 3.35Å; G510-L513 PolarHBondContact O-N 3.1Å; G510-I514 WeakPolarHBondContact O-CG1 3.39Å; G510-I514 PolarHBondContact O-N 3.13Å |
| 511 | E | 85.1 | Confident | 86.6 | Confident | 113 Ų | 113 | 39.6 Ų | 39.6 | 53% | 0.528 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.9 | -40.6 | 176.8 | -70.4 | -177.5 | -179.4 | 0 | 0 | 112.8 | L507 Q508 I514 S515 | L507-E511 PolarHBondContact O-N 3.22Å; Q508-E511 PolarHBondContact O-N 3.14Å; E511-I514 PolarHBondContact O-N 3.31Å; E511-S515 WeakPolarHBondContact O-CB 2.96Å; E511-S515 PolarHBondContact O-N 3.48Å; E511-S515 PolarHBondContact O-OG 3.04Å |
| 512 | A | 88.7 | Confident | 86.3 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.4 | -43.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N351 M354 L355 Q508 L509 G510 S515 I516 | N351-A512 HydrophobicContact CB-CB 4.38Å; M354-A512 HydrophobicContact CB-CB 4.19Å; L355-A512 HydrophobicContact CB-CB 4.15Å; Q508-A512 PolarHBondContact O-N 3.19Å; L509-A512 PolarHBondContact O-N 3.03Å; G510-A512 VanDerWaalsContact C-N 3.32Å; G510-A512 PolarHBondContact O-N 3.35Å; A512-S515 PolarHBondContact O-N 2.93Å; A512-I516 VanDerWaalsContact O-CG1 3.29Å; A512-I516 WeakPolarHBondContact O-CG1 3.33Å; A512-I516 PolarHBondContact O-N 3.38Å |
| 513 | L | 84.1 | Confident | 86.2 | Confident | 56 Ų | 56 | 41.9 Ų | 41.9 | 29% | 0.293 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.6 | -45.9 | 176.4 | -75.7 | 169.5 | 0 | 0 | 0 | 112.2 | L355 F377 L509 G510 S515 I516 S517 | L355-L513 HydrophobicContact CD1-CD2 3.5Å; L355-L513 HydrophobicContact CD1-CG 3.92Å; F377-L513 HydrophobicContact CE2-CD1 4.45Å; F377-L513 HydrophobicContact CE2-CD2 4.49Å; L509-L513 HydrophobicContact CG-CD1 4.49Å; L509-L513 WeakPolarHBondContact O-CG 2.99Å; L509-L513 PolarHBondContact O-N 3.28Å; L509-L513 VanDerWaalsContact O-N 3.07Å; G510-L513 PolarHBondContact O-N 3.1Å; L513-S515 VanDerWaalsContact C-N 3.3Å; L513-S515 PolarHBondContact O-N 3.35Å; L513-I516 PolarHBondContact O-N 3.44Å; L513-S517 PolarHBondContact O-N 2.97Å |
| 514 | I | 80.8 | Confident | 86 | Confident | 84 Ų | 84 | 47.5 Ų | 47.5 | 43% | 0.431 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -57.8 | -47.4 | 175.7 | -66 | 166.1 | 0 | 0 | 0 | 110.1 | L470 G510 E511 I516 S517 G518 | L470-I514 HydrophobicContact CB-CD1 3.97Å; L470-I514 HydrophobicContact CD1-CD1 3.76Å; L470-I514 HydrophobicContact CD1-CG1 3.63Å; L470-I514 HydrophobicContact CD2-CD1 4.11Å; L470-I514 HydrophobicContact CG-CD1 4.13Å; G510-I514 WeakPolarHBondContact O-CG1 3.39Å; G510-I514 PolarHBondContact O-N 3.13Å; E511-I514 PolarHBondContact O-N 3.31Å; I514-I516 PolarHBondContact O-N 3.46Å; I514-S517 WeakPolarHBondContact O-CB 3.04Å; I514-S517 PolarHBondContact O-N 3.15Å; I514-S517 VanDerWaalsContact O-N 3.15Å; I514-G518 PolarHBondContact O-N 3.05Å; I514-G518 VanDerWaalsContact O-N 3.08Å |
| 515 | S | 86.1 | Confident | 85.8 | Confident | 38 Ų | 38 | 50.5 Ų | 50.5 | 27% | 0.266 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | -176.9 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | N351 E511 A512 L513 S517 G518 V519 | N351-S515 VanDerWaalsContact CG-CB 3.48Å; N351-S515 WeakPolarHBondContact ND2-CB 2.94Å; E511-S515 WeakPolarHBondContact O-CB 2.96Å; E511-S515 PolarHBondContact O-N 3.48Å; E511-S515 PolarHBondContact O-OG 3.04Å; A512-S515 PolarHBondContact O-N 2.93Å; L513-S515 VanDerWaalsContact C-N 3.3Å; L513-S515 PolarHBondContact O-N 3.35Å; S515-S517 VanDerWaalsContact C-N 3.31Å; S515-G518 PolarHBondContact O-N 3.16Å; S515-V519 PolarHBondContact O-N 3.28Å |
| 516 | I | 86.2 | Confident | 85.7 | Confident | 44 Ų | 44 | 50.5 Ų | 50.5 | 23% | 0.226 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 174.7 | -69.6 | 166.2 | 0 | 0 | 0 | 110.7 | F348 N351 L355 A512 L513 I514 G518 V519 | F348-I516 HydrophobicContact CD2-CG2 4.42Å; F348-I516 HydrophobicContact CE2-CG2 4.37Å; N351-I516 HydrophobicContact CB-CD1 4.12Å; N351-I516 HydrophobicContact CB-CG1 3.7Å; L355-I516 HydrophobicContact CB-CD1 4.48Å; L355-I516 HydrophobicContact CD1-CD1 3.88Å; A512-I516 VanDerWaalsContact O-CG1 3.29Å; A512-I516 WeakPolarHBondContact O-CG1 3.33Å; A512-I516 PolarHBondContact O-N 3.38Å; L513-I516 PolarHBondContact O-N 3.44Å; I514-I516 PolarHBondContact O-N 3.46Å; I516-G518 VanDerWaalsContact C-N 3.31Å; I516-G518 PolarHBondContact O-N 2.91Å; I516-V519 WeakPolarHBondContact O-CB 3.34Å; I516-V519 PolarHBondContact O-N 3Å |
| 517 | S | 79 | Confident | 85.9 | Confident | 41 Ų | 41 | 50.1 Ų | 50.1 | 29% | 0.287 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62 | -39.1 | 174.1 | -171.9 | 0 | 0 | 0 | 0 | 112 | L513 I514 S515 V519 Y520 | L513-S517 PolarHBondContact O-N 2.97Å; I514-S517 WeakPolarHBondContact O-CB 3.04Å; I514-S517 PolarHBondContact O-N 3.15Å; I514-S517 VanDerWaalsContact O-N 3.15Å; S515-S517 VanDerWaalsContact C-N 3.31Å; S517-V519 VanDerWaalsContact C-N 3.26Å; S517-V519 PolarHBondContact O-N 3.35Å; S517-Y520 WeakPolarHBondContact O-CB 3.3Å; S517-Y520 PolarHBondContact O-N 3.16Å |
| 518 | G | 80.2 | Confident | 86 | Confident | 40 Ų | 40 | 47 Ų | 47 | 41% | 0.412 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.4 | -30.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I514 S515 I516 Y520 T521 G522 | I514-G518 PolarHBondContact O-N 3.05Å; I514-G518 VanDerWaalsContact O-N 3.08Å; S515-G518 PolarHBondContact O-N 3.16Å; I516-G518 VanDerWaalsContact C-N 3.31Å; I516-G518 PolarHBondContact O-N 2.91Å; G518-Y520 PolarHBondContact O-N 3.21Å; G518-T521 PolarHBondContact O-N 2.82Å; G518-G522 PolarHBondContact O-N 3.36Å |
| 519 | V | 89.1 | Confident | 86.1 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 4% | 0.036 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.5 | -37.8 | 176.8 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | N344 V347 F348 S515 I516 S517 T521 G522 L523 | N344-V519 HydrophobicContact CB-CG1 4.07Å; N344-V519 WeakPolarHBondContact OD1-CA 3.31Å; V347-V519 HydrophobicContact CB-CG2 4.05Å; V347-V519 HydrophobicContact CG1-CG2 3.63Å; F348-V519 HydrophobicContact CB-CG1 3.93Å; F348-V519 HydrophobicContact CB-CG2 4Å; F348-V519 HydrophobicContact CD2-CG1 4.16Å; F348-V519 HydrophobicContact CG-CG1 4.39Å; S515-V519 PolarHBondContact O-N 3.28Å; I516-V519 WeakPolarHBondContact O-CB 3.34Å; I516-V519 PolarHBondContact O-N 3Å; S517-V519 VanDerWaalsContact C-N 3.26Å; S517-V519 PolarHBondContact O-N 3.35Å; V519-T521 PolarHBondContact O-N 3.25Å; V519-G522 PolarHBondContact O-N 3.49Å; V519-L523 HydrophobicContact CG1-CD1 3.86Å; V519-L523 HydrophobicContact CG1-CG 4.17Å; V519-L523 WeakPolarHBondContact O-CB 3.37Å; V519-L523 WeakPolarHBondContact O-CG 3.06Å; V519-L523 PolarHBondContact O-N 2.86Å |
| 520 | Y | 82.7 | Confident | 86.4 | Confident | 128 Ų | 128 | 45.4 Ų | 45.4 | 50% | 0.502 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62 | -45.3 | -178.6 | -176.8 | -107.7 | 0 | 0 | 0 | 112.6 | S517 G518 L523 R524 | S517-Y520 WeakPolarHBondContact O-CB 3.3Å; S517-Y520 PolarHBondContact O-N 3.16Å; G518-Y520 PolarHBondContact O-N 3.21Å; Y520-L523 PolarHBondContact O-N 3.37Å; Y520-R524 HydrophobicContact CE1-CG 4.46Å; Y520-R524 PolarHBondContact O-N 3.05Å; Y520-R524 VanDerWaalsContact OH-CZ 3.27Å; Y520-R524 PolarHBondContact OH-NE 2.75Å; Y520-R524 VanDerWaalsContact OH-NE 3.1Å; Y520-R524 PolarHBondContact OH-NH2 2.76Å |
| 521 | T | 79.7 | Confident | 87 | Confident | 30 Ų | 30 | 48.6 Ų | 48.6 | 18% | 0.184 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.7 | -45 | 176.8 | -57.2 | 0 | 0 | 0 | 0 | 111 | V463 G518 V519 L523 R524 Q525 | V463-T521 HydrophobicContact CG1-CG2 4.35Å; G518-T521 PolarHBondContact O-N 2.82Å; V519-T521 PolarHBondContact O-N 3.25Å; T521-L523 VanDerWaalsContact C-N 3.32Å; T521-L523 PolarHBondContact O-N 2.89Å; T521-R524 PolarHBondContact O-N 3.16Å; T521-Q525 PolarHBondContact O-N 3.15Å |
| 522 | G | 85.8 | Confident | 87.3 | Confident | 7 Ų | 7 | 47 Ų | 47 | 7% | 0.072 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61 | -39.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N344 G518 V519 Q525 A526 | N344-G522 VanDerWaalsContact ND2-C 3.25Å; N344-G522 VanDerWaalsContact ND2-CA 3.29Å; N344-G522 WeakPolarHBondContact ND2-CA 3.2Å; G518-G522 PolarHBondContact O-N 3.36Å; V519-G522 PolarHBondContact O-N 3.49Å; G522-Q525 PolarHBondContact O-N 3.27Å; G522-A526 PolarHBondContact O-N 2.87Å |
| 523 | L | 89.7 | Confident | 87.6 | Confident | 41 Ų | 41 | 46.9 Ų | 46.9 | 22% | 0.215 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.1 | -39.3 | 174.3 | -74.9 | 174.8 | 0 | 0 | 0 | 112.6 | I341 N344 V519 Y520 T521 Q525 A526 V527 | I341-L523 HydrophobicContact CD1-CD2 3.8Å; N344-L523 HydrophobicContact CB-CD2 4.19Å; N344-L523 HydrophobicContact CB-CG 4.23Å; V519-L523 HydrophobicContact CG1-CD1 3.86Å; V519-L523 HydrophobicContact CG1-CG 4.17Å; V519-L523 WeakPolarHBondContact O-CB 3.37Å; V519-L523 WeakPolarHBondContact O-CG 3.06Å; V519-L523 PolarHBondContact O-N 2.86Å; Y520-L523 PolarHBondContact O-N 3.37Å; T521-L523 VanDerWaalsContact C-N 3.32Å; T521-L523 PolarHBondContact O-N 2.89Å; L523-Q525 VanDerWaalsContact C-N 3.33Å; L523-Q525 PolarHBondContact O-N 3.45Å; L523-A526 WeakPolarHBondContact O-CB 3.39Å; L523-A526 PolarHBondContact O-N 3.4Å; L523-V527 WeakPolarHBondContact O-CG2 3.37Å; L523-V527 PolarHBondContact O-N 2.95Å |
| 524 | R | 86.6 | Confident | 88.1 | Confident | 148 Ų | 148 | 44.4 Ų | 44.4 | 56% | 0.558 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -62.2 | -40.3 | 174.8 | -78.3 | -176.7 | 169.3 | -169.9 | 1.2 | 112.1 | Y520 T521 V527 G528 | Y520-R524 HydrophobicContact CE1-CG 4.46Å; Y520-R524 PolarHBondContact O-N 3.05Å; Y520-R524 VanDerWaalsContact OH-CZ 3.27Å; Y520-R524 PolarHBondContact OH-NE 2.75Å; Y520-R524 VanDerWaalsContact OH-NE 3.1Å; Y520-R524 PolarHBondContact OH-NH2 2.76Å; T521-R524 PolarHBondContact O-N 3.16Å; R524-V527 PolarHBondContact O-N 3.33Å; R524-G528 PolarHBondContact O-N 2.73Å |
| 525 | Q | 87.7 | Confident | 88.7 | Confident | 114 Ų | 114 | 46.7 Ų | 46.7 | 53% | 0.533 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.3 | -42.3 | 174.7 | -68.9 | 177.3 | -3 | 0 | 0 | 111.3 | L340 T521 G522 L523 V527 G528 A529 | L340-Q525 HydrophobicContact CD1-CB 3.64Å; T521-Q525 PolarHBondContact O-N 3.15Å; G522-Q525 PolarHBondContact O-N 3.27Å; L523-Q525 VanDerWaalsContact C-N 3.33Å; L523-Q525 PolarHBondContact O-N 3.45Å; Q525-V527 VanDerWaalsContact C-N 3.32Å; Q525-V527 PolarHBondContact O-N 3.43Å; Q525-G528 PolarHBondContact O-N 3.2Å; Q525-G528 VanDerWaalsContact O-N 3.11Å; Q525-A529 PolarHBondContact O-N 3.14Å; Q525-A529 VanDerWaalsContact O-N 3.11Å |
| 526 | A | 91.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.2 | -41.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | M218 L340 G522 L523 G528 A529 S530 | M218-A526 HydrophobicContact CE-CB 4.1Å; M218-A526 HydrophobicContact SD-CB 4.26Å; L340-A526 HydrophobicContact CB-CB 3.68Å; L340-A526 HydrophobicContact CD1-CB 4.44Å; G522-A526 PolarHBondContact O-N 2.87Å; L523-A526 WeakPolarHBondContact O-CB 3.39Å; L523-A526 PolarHBondContact O-N 3.4Å; A526-G528 VanDerWaalsContact C-N 3.33Å; A526-G528 PolarHBondContact O-N 3.37Å; A526-A529 PolarHBondContact O-N 2.88Å; A526-S530 VanDerWaalsContact O-CB 3.28Å; A526-S530 WeakPolarHBondContact O-CB 3.46Å; A526-S530 PolarHBondContact O-N 3.22Å; A526-S530 PolarHBondContact O-OG 3.29Å |
| 527 | V | 92.7 | Very high | 89.5 | Confident | 9 Ų | 9 | 44.9 Ų | 44.9 | 6% | 0.055 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.2 | -42 | 174.1 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | L214 I215 L523 R524 Q525 S530 R531 | L214-V527 HydrophobicContact CD1-CG1 3.89Å; I215-V527 HydrophobicContact CD1-CG2 3.97Å; I215-V527 HydrophobicContact CG1-CG2 3.73Å; L523-V527 WeakPolarHBondContact O-CG2 3.37Å; L523-V527 PolarHBondContact O-N 2.95Å; R524-V527 PolarHBondContact O-N 3.33Å; Q525-V527 VanDerWaalsContact C-N 3.32Å; Q525-V527 PolarHBondContact O-N 3.43Å; V527-S530 VanDerWaalsContact CA-OG 3.32Å; V527-S530 WeakPolarHBondContact CA-OG 3.41Å; V527-S530 PolarHBondContact O-OG 3.47Å; V527-S530 VanDerWaalsContact O-OG 3.08Å; V527-R531 WeakPolarHBondContact O-CB 3.46Å; V527-R531 PolarHBondContact O-N 2.73Å |
| 528 | G | 90.4 | Very high | 90.3 | Very high | 28 Ų | 28 | 47.2 Ų | 47.2 | 29% | 0.289 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.2 | -43.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R524 Q525 A526 K532 | R524-G528 PolarHBondContact O-N 2.73Å; Q525-G528 PolarHBondContact O-N 3.2Å; Q525-G528 VanDerWaalsContact O-N 3.11Å; A526-G528 VanDerWaalsContact C-N 3.33Å; A526-G528 PolarHBondContact O-N 3.37Å; G528-K532 WeakPolarHBondContact O-CG 3.36Å |
| 529 | A | 91.4 | Very high | 91 | Very high | 8 Ų | 8 | 48.2 Ų | 48.2 | 7% | 0.066 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71 | -46.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D333 M337 Q525 A526 R531 K532 V533 | D333-A529 HydrophobicContact CB-CB 4.39Å; M337-A529 HydrophobicContact CB-CB 4.2Å; Q525-A529 PolarHBondContact O-N 3.14Å; Q525-A529 VanDerWaalsContact O-N 3.11Å; A526-A529 PolarHBondContact O-N 2.88Å; A529-R531 VanDerWaalsContact C-N 3.34Å; A529-R531 PolarHBondContact O-N 2.99Å; A529-K532 PolarHBondContact O-N 2.99Å; A529-V533 PolarHBondContact O-N 3.03Å |
| 530 | S | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.6 | -34.9 | -177.8 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | A526 V527 K532 V533 F534 | A526-S530 VanDerWaalsContact O-CB 3.28Å; A526-S530 WeakPolarHBondContact O-CB 3.46Å; A526-S530 PolarHBondContact O-N 3.22Å; A526-S530 PolarHBondContact O-OG 3.29Å; V527-S530 VanDerWaalsContact CA-OG 3.32Å; V527-S530 WeakPolarHBondContact CA-OG 3.41Å; V527-S530 PolarHBondContact O-OG 3.47Å; V527-S530 VanDerWaalsContact O-OG 3.08Å; S530-K532 VanDerWaalsContact C-N 3.29Å; S530-K532 PolarHBondContact O-N 3.45Å; S530-V533 PolarHBondContact O-N 3.4Å; S530-F534 WeakPolarHBondContact O-CB 3.29Å; S530-F534 VanDerWaalsContact O-CD2 3.24Å; S530-F534 WeakPolarHBondContact O-CD2 3.37Å; S530-F534 WeakPolarHBondContact O-CG 3.26Å; S530-F534 PolarHBondContact O-N 2.81Å |
| 531 | R | 94.2 | Very high | 91.5 | Very high | 82 Ų | 82 | 52.1 Ų | 52.1 | 31% | 0.309 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -53.8 | -48.4 | 174.9 | -179 | -178.5 | -75.1 | 135 | -1.2 | 111.1 | E210 L214 V527 A529 F534 E535 | E210-R531 VanDerWaalsContact CD-NH2 3.35Å; E210-R531 IonicContact OE1-CZ 2.88Å; E210-R531 IonicContact OE1-NE 2.77Å; E210-R531 PolarHBondContact OE1-NE 3.49Å; E210-R531 IonicContact OE1-NH2 3.46Å; E210-R531 IonicContact OE2-CZ 3.46Å; E210-R531 IonicContact OE2-NE 3.9Å; E210-R531 PolarHBondContact OE2-NE 3.5Å; E210-R531 IonicContact OE2-NH2 3.22Å; E210-R531 PolarHBondContact OE2-NH2 2.89Å; L214-R531 HydrophobicContact CD1-CB 3.99Å; V527-R531 WeakPolarHBondContact O-CB 3.46Å; V527-R531 PolarHBondContact O-N 2.73Å; A529-R531 VanDerWaalsContact C-N 3.34Å; A529-R531 PolarHBondContact O-N 2.99Å; R531-F534 PolarHBondContact O-N 3.42Å; R531-E535 VanDerWaalsContact O-CB 3.28Å; R531-E535 WeakPolarHBondContact O-CB 3.25Å; R531-E535 PolarHBondContact O-N 3.34Å |
| 532 | K | 91.5 | Very high | 91.9 | Very high | 81 Ų | 81 | 57 Ų | 57 | 35% | 0.352 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -73.4 | -31.9 | -175 | -47.2 | 177.9 | -161.8 | 168.6 | 0 | 112.6 | G528 A529 S530 | G528-K532 WeakPolarHBondContact O-CG 3.36Å; A529-K532 PolarHBondContact O-N 2.99Å; S530-K532 VanDerWaalsContact C-N 3.29Å; S530-K532 PolarHBondContact O-N 3.45Å |
| 533 | V | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.9 | -47.9 | 174.1 | 172 | 0 | 0 | 0 | 0 | 110.4 | I302 L306 D333 M337 A529 S530 E535 L536 I537 | I302-V533 HydrophobicContact CG2-CG1 3.92Å; L306-V533 HydrophobicContact CD2-CG1 4.39Å; D333-V533 HydrophobicContact CB-CG2 3.66Å; M337-V533 HydrophobicContact SD-CB 4.04Å; M337-V533 HydrophobicContact SD-CG1 4.01Å; M337-V533 HydrophobicContact SD-CG2 4.32Å; A529-V533 PolarHBondContact O-N 3.03Å; S530-V533 PolarHBondContact O-N 3.4Å; V533-E535 VanDerWaalsContact C-N 3.34Å; V533-E535 PolarHBondContact O-N 3.28Å; V533-L536 PolarHBondContact O-N 3.36Å; V533-I537 HydrophobicContact CG1-CD1 3.75Å; V533-I537 HydrophobicContact CG1-CG1 4.4Å; V533-I537 WeakPolarHBondContact O-CG1 3.38Å; V533-I537 PolarHBondContact O-N 2.97Å |
| 534 | F | 95.5 | Very high | 91.6 | Very high | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.4 | -29.8 | -179.2 | -71.8 | -46.3 | 0 | 0 | 0 | 113.3 | L214 R217 M218 Y221 M337 S530 R531 L536 I537 D538 | L214-F534 HydrophobicContact CD2-CB 4.37Å; L214-F534 HydrophobicContact CD2-CD2 3.57Å; L214-F534 HydrophobicContact CD2-CE2 4.35Å; L214-F534 HydrophobicContact CD2-CG 4.42Å; R217-F534 HydrophobicContact CB-CE2 4Å; R217-F534 HydrophobicContact CB-CZ 4.06Å; R217-F534 VanDerWaalsContact CD-CZ 3.48Å; R217-F534 HydrophobicContact CG-CE1 3.96Å; R217-F534 HydrophobicContact CG-CE2 3.87Å; R217-F534 HydrophobicContact CG-CZ 3.5Å; R217-F534 VanDerWaalsContact CG-CZ 3.5Å; R217-F534 VanDerWaalsContact NE-CD1 3.3Å; M218-F534 HydrophobicContact CG-CE2 4.13Å; M218-F534 HydrophobicContact CG-CZ 4.47Å; Y221-F534 HydrophobicContact CD2-CE1 4.44Å; Y221-F534 HydrophobicContact CD2-CZ 4.27Å; Y221-F534 AromaticContact CE2-CE1 3.73Å; Y221-F534 HydrophobicContact CE2-CE1 3.73Å; Y221-F534 AromaticContact CE2-CZ 4Å; Y221-F534 HydrophobicContact CE2-CZ 4Å; M337-F534 HydrophobicContact CE-CD2 4.31Å; M337-F534 HydrophobicContact CE-CE1 3.8Å; M337-F534 HydrophobicContact CE-CE2 3.44Å; M337-F534 VanDerWaalsContact CE-CE2 3.44Å; M337-F534 HydrophobicContact CE-CZ 3.12Å; M337-F534 HydrophobicContact SD-CZ 4.49Å; S530-F534 WeakPolarHBondContact O-CB 3.29Å; S530-F534 VanDerWaalsContact O-CD2 3.24Å; S530-F534 WeakPolarHBondContact O-CD2 3.37Å; S530-F534 WeakPolarHBondContact O-CG 3.26Å; S530-F534 PolarHBondContact O-N 2.81Å; R531-F534 PolarHBondContact O-N 3.42Å; F534-L536 PolarHBondContact O-N 2.78Å; F534-I537 HydrophobicContact CD1-CB 4.48Å; F534-I537 HydrophobicContact CD1-CD1 3.96Å; F534-I537 HydrophobicContact CE1-CD1 4.23Å; F534-I537 PolarHBondContact O-N 3.42Å; F534-D538 VanDerWaalsContact O-CB 3.26Å; F534-D538 WeakPolarHBondContact O-CB 3.2Å; F534-D538 VanDerWaalsContact O-CG 3.3Å; F534-D538 PolarHBondContact O-N 3.38Å |
| 535 | E | 93.6 | Very high | 91.4 | Very high | 132 Ų | 132 | 57.2 Ų | 57.2 | 62% | 0.617 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -54.7 | -42.8 | 169.1 | -177.9 | -179.3 | 178.2 | 0 | 0 | 111.6 | R531 V533 R539 | R531-E535 VanDerWaalsContact O-CB 3.28Å; R531-E535 WeakPolarHBondContact O-CB 3.25Å; R531-E535 PolarHBondContact O-N 3.34Å; V533-E535 VanDerWaalsContact C-N 3.34Å; V533-E535 PolarHBondContact O-N 3.28Å; E535-R539 WeakPolarHBondContact O-CB 3.44Å; E535-R539 PolarHBondContact O-N 3.07Å; E535-R539 VanDerWaalsContact O-N 3.17Å |
| 536 | L | 94.1 | Very high | 91.1 | Very high | 19 Ų | 19 | 56.3 Ų | 56.3 | 10% | 0.099 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -76.1 | -38.1 | 176.7 | -66.3 | 179.7 | 0 | 0 | 0 | 112.9 | L306 S309 F317 R329 V533 F534 | L306-L536 HydrophobicContact CD1-CB 3.49Å; L306-L536 VanDerWaalsContact CD1-CB 3.49Å; L306-L536 HydrophobicContact CD1-CD1 4.15Å; L306-L536 HydrophobicContact CD1-CG 4.49Å; S309-L536 PolarHBondContact OG-O 3.01Å; F317-L536 HydrophobicContact CE2-CD2 4.03Å; F317-L536 HydrophobicContact CZ-CD2 3.68Å; R329-L536 HydrophobicContact CB-CD1 3.83Å; R329-L536 HydrophobicContact CG-CD1 3.8Å; V533-L536 PolarHBondContact O-N 3.36Å; F534-L536 PolarHBondContact O-N 2.78Å |
| 537 | I | 95.2 | Very high | 90.8 | Very high | 25 Ų | 25 | 56.8 Ų | 56.8 | 13% | 0.128 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.3 | -42 | 177.3 | -69.7 | 174 | 0 | 0 | 0 | 110.9 | L306 S309 V533 F534 | L306-I537 HydrophobicContact CB-CD1 4.24Å; L306-I537 HydrophobicContact CB-CG1 4.03Å; L306-I537 HydrophobicContact CD1-CG1 3.92Å; S309-I537 PolarHBondContact OG-O 3.49Å; V533-I537 HydrophobicContact CG1-CD1 3.75Å; V533-I537 HydrophobicContact CG1-CG1 4.4Å; V533-I537 WeakPolarHBondContact O-CG1 3.38Å; V533-I537 PolarHBondContact O-N 2.97Å; F534-I537 HydrophobicContact CD1-CB 4.48Å; F534-I537 HydrophobicContact CD1-CD1 3.96Å; F534-I537 HydrophobicContact CE1-CD1 4.23Å; F534-I537 PolarHBondContact O-N 3.42Å |
| 538 | D | 94.8 | Very high | 90.7 | Very high | 90 Ų | 90 | 63.8 Ų | 63.8 | 48% | 0.481 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -85.5 | -10.1 | -176.1 | -66.8 | -18.5 | 0 | 0 | 0 | 113.9 | R217 F534 K540 | R217-D538 IonicContact CZ-OD1 3.4Å; R217-D538 VanDerWaalsContact CZ-OD1 3.24Å; R217-D538 IonicContact CZ-OD2 3.43Å; R217-D538 IonicContact NH1-OD1 2.75Å; R217-D538 PolarHBondContact NH1-OD1 3.03Å; R217-D538 IonicContact NH1-OD2 3.03Å; R217-D538 PolarHBondContact NH1-OD2 3.31Å; R217-D538 IonicContact NH2-OD1 3.33Å; R217-D538 PolarHBondContact NH2-OD1 3.04Å; R217-D538 IonicContact NH2-OD2 3.68Å; F534-D538 VanDerWaalsContact O-CB 3.26Å; F534-D538 WeakPolarHBondContact O-CB 3.2Å; F534-D538 VanDerWaalsContact O-CG 3.3Å; F534-D538 PolarHBondContact O-N 3.38Å; D538-K540 PolarHBondContact O-N 2.81Å; D538-K540 VanDerWaalsContact O-N 3.08Å |
| 539 | R | 94 | Very high | 90.7 | Very high | 61 Ų | 61 | 66.3 Ų | 66.3 | 23% | 0.23 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 117.2 | 178.4 | -171.7 | -178.5 | -173.5 | -83.5 | 4.1 | 109 | Q313 E314 F317 E535 | Q313-R539 PolarHBondContact NE2-O 2.72Å; E314-R539 VanDerWaalsContact CD-NH1 3.3Å; E314-R539 IonicContact OE1-CZ 3Å; E314-R539 VanDerWaalsContact OE1-CZ 3.28Å; E314-R539 IonicContact OE1-NH1 3.42Å; E314-R539 PolarHBondContact OE1-NH1 2.89Å; E314-R539 IonicContact OE1-NH2 2.69Å; E314-R539 PolarHBondContact OE1-NH2 2.93Å; E314-R539 IonicContact OE2-CZ 2.9Å; E314-R539 IonicContact OE2-NH1 2.58Å; E314-R539 PolarHBondContact OE2-NH1 3.39Å; F317-R539 VanDerWaalsContact CD2-CZ 3.48Å; E535-R539 WeakPolarHBondContact O-CB 3.44Å; E535-R539 PolarHBondContact O-N 3.07Å; E535-R539 VanDerWaalsContact O-N 3.17Å |
| 540 | K | 92.2 | Very high | 90.6 | Very high | 181 Ų | 181 | 71.1 Ų | 71.1 | 79% | 0.787 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -81.6 | 134.2 | 169.7 | -64 | -177.2 | -179.5 | -178.8 | 0 | 108.3 | D538 | D538-K540 PolarHBondContact O-N 2.81Å; D538-K540 VanDerWaalsContact O-N 3.08Å |
| 541 | P | 91.9 | Very high | 90.4 | Very high | 34 Ų | 34 | 72.3 Ų | 72.3 | 22% | 0.221 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 147.4 | 176.8 | 28.3 | -34.4 | 0 | 0 | 0 | 110.4 | R312 E314 I543 V544 | R312-P541 WeakPolarHBondContact O-CB 3.29Å; E314-P541 WeakPolarHBondContact OE2-CA 3.32Å; E314-P541 VanDerWaalsContact OE2-CB 3.31Å; E314-P541 WeakPolarHBondContact OE2-CB 3.4Å; P541-I543 WeakPolarHBondContact CB-O 3.29Å; P541-V544 HydrophobicContact CG-CG2 4.38Å |
| 542 | Q | 87.4 | Confident | 89.9 | Confident | 133 Ų | 133 | 75.1 Ų | 75.1 | 62% | 0.621 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -73.9 | -34 | 177.5 | -67.6 | -173.9 | -9.8 | 0 | 0 | 111.6 | E314 | E314-Q542 HydrophobicContact CG-CB 4.35Å; E314-Q542 PolarHBondContact OE2-N 2.86Å |
| 543 | I | 86.4 | Confident | 89.7 | Confident | 26 Ų | 26 | 75.9 Ų | 75.9 | 13% | 0.133 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -104.3 | 117.4 | 173.3 | -58.8 | 172.8 | 0 | 0 | 0 | 106.7 | E314 P541 E611 | E314-I543 HydrophobicContact CB-CB 4.07Å; E314-I543 HydrophobicContact CB-CD1 4.28Å; E314-I543 HydrophobicContact CB-CG1 4.31Å; P541-I543 WeakPolarHBondContact CB-O 3.29Å; I543-E611 HydrophobicContact CD1-CG 4.28Å; I543-E611 HydrophobicContact CG1-CG 4.22Å; I543-E611 HydrophobicContact CG2-CG 4.44Å |
| 544 | V | 82.7 | Confident | 89.5 | Confident | 77 Ų | 77 | 76.4 Ų | 76.4 | 47% | 0.467 | 41% | 0.408 | S | S | . | . | trans | -105.9 | 124.3 | 179.9 | -174 | 0 | 0 | 0 | 0 | 108.4 | P541 V546 | P541-V544 HydrophobicContact CG-CG2 4.38Å; V544-V546 VanDerWaalsContact C-N 3.27Å; V544-V546 HydrophobicContact CB-CG1 4.19Å; V544-V546 HydrophobicContact CG1-CG1 3.85Å; V544-V546 PolarHBondContact O-N 3.26Å | ||
| 545 | D | 81.6 | Confident | 89.3 | Confident | 98 Ų | 98 | 82.5 Ų | 82.5 | 52% | 0.524 | 44% | 0.438 | S | S | . | . | trans | -67.8 | 82.9 | 173.7 | -63.2 | -43.8 | 0 | 0 | 0 | 110.6 | H629 | D545-H629 HydrophobicContact CB-CB 4.4Å; D545-H629 IonicContact OD1-ND1 3.65Å | ||
| 546 | V | 82.8 | Confident | 89.2 | Confident | 95 Ų | 95 | 76.2 Ų | 76.2 | 58% | 0.576 | 41% | 0.409 | S | S | * | . | trans | -94.6 | -9.2 | 177 | -66.6 | 0 | 0 | 0 | 0 | 113.1 | V544 M625 | V544-V546 VanDerWaalsContact C-N 3.27Å; V544-V546 HydrophobicContact CB-CG1 4.19Å; V544-V546 HydrophobicContact CG1-CG1 3.85Å; V544-V546 PolarHBondContact O-N 3.26Å; V546-M625 HydrophobicContact CG2-CE 4.18Å | ||
| 547 | G | 84.2 | Confident | 89.3 | Confident | 10 Ų | 10 | 80.2 Ų | 80.2 | 10% | 0.103 | 42% | 0.422 | C | S | . | . | trans | -64 | 133.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | M625 Q626 Y627 D628 | G547-M625 WeakPolarHBondContact CA-O 3.42Å; G547-Q626 CarbonylContact C-O 3.52Å; G547-Q626 VanDerWaalsContact CA-C 3.48Å; G547-Q626 WeakPolarHBondContact CA-O 3.45Å; G547-Y627 WeakPolarHBondContact CA-O 3.38Å; G547-D628 WeakPolarHBondContact O-CA 3.28Å | ||
| 548 | I | 90.9 | Very high | 89.4 | Confident | 156 Ų | 156 | 79.1 Ų | 79.1 | 80% | 0.8 | 42% | 0.417 | S | S | * | . | trans | -121.8 | -2.6 | 179 | 58 | 169.5 | 0 | 0 | 0 | 112 | N550 Q626 | I548-N550 PolarHBondContact O-N 2.86Å; I548-Q626 PolarHBondContact N-O 3.09Å; I548-Q626 VanDerWaalsContact N-O 3.11Å | ||
| 549 | F | 90.3 | Very high | 89.5 | Confident | 81 Ų | 81 | 77 Ų | 77 | 36% | 0.355 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -72.3 | 115.4 | -176.5 | -174.5 | -111.4 | 0 | 0 | 0 | 110 | P551 V622 Q626 Y627 D628 | F549-P551 HydrophobicContact CD1-CG 4.17Å; F549-P551 HydrophobicContact CE1-CB 4.06Å; F549-P551 HydrophobicContact CE1-CG 3.63Å; F549-P551 HydrophobicContact CZ-CB 3.95Å; F549-P551 HydrophobicContact CZ-CG 4.06Å; F549-V622 HydrophobicContact CD1-CB 4.39Å; F549-V622 HydrophobicContact CD1-CG1 3.9Å; F549-V622 HydrophobicContact CD1-CG2 4.45Å; F549-V622 HydrophobicContact CE1-CB 4.2Å; F549-V622 HydrophobicContact CE1-CG1 4.17Å; F549-V622 HydrophobicContact CE1-CG2 3.9Å; F549-V622 HydrophobicContact CG-CG1 4.37Å; F549-V622 HydrophobicContact CZ-CG2 4.09Å; F549-Q626 WeakPolarHBondContact CB-O 3.17Å; F549-Q626 PolarHBondContact N-O 3.23Å; F549-Y627 AromaticContact CD1-CD1 3.81Å; F549-Y627 HydrophobicContact CD1-CD1 3.81Å; F549-Y627 HydrophobicContact CD1-CD2 4.22Å; F549-Y627 AromaticContact CD1-CE1 3.55Å; F549-Y627 HydrophobicContact CD1-CE1 3.55Å; F549-Y627 AromaticContact CD1-CE2 4Å; F549-Y627 HydrophobicContact CD1-CE2 4Å; F549-Y627 HydrophobicContact CD1-CG 4.14Å; F549-Y627 AromaticContact CD1-CZ 3.65Å; F549-Y627 HydrophobicContact CE1-CD1 4.44Å; F549-Y627 AromaticContact CE1-CE1 3.74Å; F549-Y627 HydrophobicContact CE1-CE1 3.74Å; F549-Y627 HydrophobicContact CE1-CE2 4.3Å; F549-Y627 AromaticContact CE1-CZ 3.64Å; F549-Y627 WeakPolarHBondContact O-CA 3.45Å; F549-D628 PolarHBondContact O-N 2.83Å |
| 550 | N | 90.1 | Very high | 89.6 | Confident | 109 Ų | 109 | 74.2 Ų | 74.2 | 58% | 0.583 | 39% | 0.393 | S | S | * | . | trans | -133.8 | 80 | -178.2 | -174.2 | 7.2 | 0 | 0 | 0 | 109.6 | I548 D628 C631 | I548-N550 PolarHBondContact O-N 2.86Å; N550-D628 HydrophobicContact CB-CB 4.44Å; N550-C631 HydrophobicContact CB-CB 4.35Å; N550-C631 WeakPolarHBondContact OD1-CB 3.26Å; N550-C631 PolarHBondContact OD1-SG 3.33Å | ||
| 551 | P | 89.2 | Confident | 89.8 | Confident | 24 Ų | 24 | 68.5 Ų | 68.5 | 16% | 0.156 | 37% | 0.369 | C | S | . | . | trans | -70.8 | 146.6 | -178.5 | 29.4 | -35.6 | 0 | 0 | 0 | 111.4 | F549 S553 V554 Y627 | F549-P551 HydrophobicContact CD1-CG 4.17Å; F549-P551 HydrophobicContact CE1-CB 4.06Å; F549-P551 HydrophobicContact CE1-CG 3.63Å; F549-P551 HydrophobicContact CZ-CB 3.95Å; F549-P551 HydrophobicContact CZ-CG 4.06Å; P551-S553 VanDerWaalsContact C-N 3.27Å; P551-S553 PolarHBondContact O-N 3.38Å; P551-V554 HydrophobicContact CG-CG2 3.65Å; P551-Y627 HydrophobicContact CG-CE1 3.93Å | ||
| 552 | P | 85 | Confident | 90 | Very high | 141 Ų | 141 | 72.2 Ų | 72.2 | 92% | 0.916 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -67 | -28.9 | 179.8 | 26.6 | -34.4 | 0 | 0 | 0 | 112.9 | ||
| 553 | S | 87.2 | Confident | 90.4 | Very high | 97 Ų | 97 | 65.9 Ų | 65.9 | 68% | 0.678 | 35% | 0.353 | S | S | * | . | trans | -144.2 | 138.8 | 177.3 | 60.1 | 0 | 0 | 0 | 0 | 110.1 | P551 | P551-S553 VanDerWaalsContact C-N 3.27Å; P551-S553 PolarHBondContact O-N 3.38Å | ||
| 554 | V | 90.2 | Very high | 90.9 | Very high | 11 Ų | 11 | 65.6 Ų | 65.6 | 7% | 0.067 | 35% | 0.354 | C | S | . | . | trans | -115.4 | 132.9 | 175.5 | -175 | 0 | 0 | 0 | 0 | 108 | P551 L619 D620 V635 | P551-V554 HydrophobicContact CG-CG2 3.65Å; V554-L619 HydrophobicContact CG1-CD1 4.27Å; V554-L619 HydrophobicContact CG1-CD2 4.03Å; V554-L619 HydrophobicContact CG1-CG 4Å; V554-D620 WeakPolarHBondContact CA-OD2 3.24Å; V554-D620 WeakPolarHBondContact CG1-OD2 3.43Å; V554-V635 HydrophobicContact CB-CG1 3.95Å; V554-V635 HydrophobicContact CB-CG2 4.41Å; V554-V635 HydrophobicContact CG1-CG1 3.88Å; V554-V635 HydrophobicContact CG2-CG1 4.16Å; V554-V635 HydrophobicContact CG2-CG2 3.87Å | ||
| 555 | M | 91.2 | Very high | 91.6 | Very high | 133 Ų | 133 | 62 Ų | 62 | 66% | 0.655 | 33% | 0.332 | S | S | * | . | trans | -73.8 | -35.6 | 175.1 | -61.9 | -174.1 | -68.9 | 0 | 0 | 111 | P585 D620 | M555-P585 HydrophobicContact CB-CG 4.19Å; M555-D620 PolarHBondContact N-OD2 3.4Å | ||
| 556 | G | 92.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | 95.4 | 26.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D620 T749 | G556-D620 PolarHBondContact N-OD1 3.28Å; G556-D620 PolarHBondContact N-OD2 2.98Å; G556-T749 WeakPolarHBondContact O-CB 3.43Å; G556-T749 WeakPolarHBondContact O-CG2 3.39Å; G556-T749 PolarHBondContact O-OG1 3.03Å | ||
| 557 | R | 95.8 | Very high | 92.7 | Very high | 103 Ų | 103 | 55.1 Ų | 55.1 | 39% | 0.389 | 29% | 0.29 | S | S | . | . | trans | -75.4 | 123.6 | 171.9 | -176.8 | 178 | 178.1 | -171 | -5.5 | 109.3 | V583 P585 L619 D620 | R557-V583 WeakPolarHBondContact CA-O 3.35Å; R557-P585 HydrophobicContact CB-CG 3.96Å; R557-L619 CarbonylContact O-C 3.49Å; R557-L619 WeakPolarHBondContact O-CA 3.37Å; R557-D620 WeakPolarHBondContact CB-OD1 3.38Å; R557-D620 PolarHBondContact N-OD1 3.01Å; R557-D620 PolarHBondContact O-N 3Å | ||
| 558 | V | 96.6 | Very high | 93 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 138.3 | 176.2 | 176.9 | 0 | 0 | 0 | 0 | 108.9 | F560 D582 V583 L606 L619 V719 | V558-F560 HydrophobicContact CG1-CD2 4.13Å; V558-F560 HydrophobicContact CG1-CE2 3.75Å; V558-D582 CarbonylContact O-C 3.25Å; V558-D582 VanDerWaalsContact O-CA 3.29Å; V558-D582 WeakPolarHBondContact O-CA 3.2Å; V558-V583 HydrophobicContact CB-CB 4.11Å; V558-V583 HydrophobicContact CB-CG2 4.26Å; V558-V583 PolarHBondContact N-O 2.9Å; V558-V583 PolarHBondContact O-N 3.47Å; V558-L606 HydrophobicContact CG1-CD1 3.62Å; V558-L606 HydrophobicContact CG1-CD2 3.84Å; V558-L606 HydrophobicContact CG1-CG 4.38Å; V558-L606 HydrophobicContact CG2-CD1 4.22Å; V558-L606 HydrophobicContact CG2-CD2 4.13Å; V558-L619 HydrophobicContact CG2-CD1 4.09Å; V558-V719 HydrophobicContact CG2-CG1 4.1Å; V558-V719 HydrophobicContact CG2-CG2 4.24Å |
| 559 | E | 96.8 | Very high | 92.9 | Very high | 46 Ų | 46 | 53.9 Ų | 53.9 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 124.1 | 177.2 | -173 | 178.8 | -155.8 | 0 | 0 | 111 | K561 D582 T618 | E559-K561 HydrophobicContact CG-CD 4.49Å; E559-K561 HydrophobicContact CG-CG 3.83Å; E559-K561 WeakPolarHBondContact OE2-CE 2.9Å; E559-K561 IonicContact OE2-NZ 3.32Å; E559-D582 HydrophobicContact CB-CB 4.42Å; E559-D582 HydrophobicContact CG-CB 4.21Å; E559-T618 WeakPolarHBondContact CB-OG1 3.47Å; E559-T618 PolarHBondContact N-O 3.21Å; E559-T618 PolarHBondContact O-N 3.5Å; E559-T618 PolarHBondContact O-OG1 2.91Å |
| 560 | F | 97.5 | Very high | 92.9 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 121.8 | 169.2 | -71.4 | -107.7 | 0 | 0 | 0 | 107.5 | V558 V563 S580 F581 C602 L605 L606 V617 | V558-F560 HydrophobicContact CG1-CD2 4.13Å; V558-F560 HydrophobicContact CG1-CE2 3.75Å; F560-V563 HydrophobicContact CB-CG2 4.07Å; F560-V563 HydrophobicContact CD1-CB 4.39Å; F560-V563 HydrophobicContact CD1-CG2 4.04Å; F560-S580 CarbonylContact O-C 3.58Å; F560-S580 VanDerWaalsContact O-CA 3.23Å; F560-S580 WeakPolarHBondContact O-CA 3.45Å; F560-F581 HydrophobicContact CB-CD1 3.97Å; F560-F581 HydrophobicContact CB-CE1 3.94Å; F560-F581 HydrophobicContact CD1-CE1 4.14Å; F560-F581 HydrophobicContact CD1-CZ 4.47Å; F560-F581 HydrophobicContact CD2-CD1 4.19Å; F560-F581 HydrophobicContact CD2-CD2 4.39Å; F560-F581 AromaticContact CD2-CE1 3.54Å; F560-F581 HydrophobicContact CD2-CE1 3.54Å; F560-F581 AromaticContact CD2-CE2 3.75Å; F560-F581 HydrophobicContact CD2-CE2 3.75Å; F560-F581 AromaticContact CD2-CZ 3.28Å; F560-F581 HydrophobicContact CD2-CZ 3.28Å; F560-F581 HydrophobicContact CE2-CE1 4.05Å; F560-F581 HydrophobicContact CE2-CE2 4.01Å; F560-F581 AromaticContact CE2-CZ 3.45Å; F560-F581 HydrophobicContact CE2-CZ 3.45Å; F560-F581 VanDerWaalsContact CE2-CZ 3.45Å; F560-F581 HydrophobicContact CG-CD1 4.15Å; F560-F581 AromaticContact CG-CE1 3.6Å; F560-F581 HydrophobicContact CG-CE1 3.6Å; F560-F581 AromaticContact CG-CZ 3.87Å; F560-F581 HydrophobicContact CG-CZ 3.87Å; F560-F581 HydrophobicContact CZ-CZ 4.13Å; F560-F581 PolarHBondContact N-O 3.04Å; F560-F581 PolarHBondContact O-N 2.95Å; F560-C602 HydrophobicContact CE1-CB 3.95Å; F560-C602 HydrophobicContact CZ-CB 3.92Å; F560-C602 WeakPolarHBondContact CZ-O 3.21Å; F560-L605 HydrophobicContact CE1-CB 4.4Å; F560-L606 HydrophobicContact CZ-CB 4.11Å; F560-V617 HydrophobicContact CD1-CG1 4.32Å; F560-V617 HydrophobicContact CD1-CG2 3.61Å; F560-V617 HydrophobicContact CD2-CG1 4.47Å; F560-V617 HydrophobicContact CE1-CB 4.49Å; F560-V617 HydrophobicContact CE1-CG1 4Å; F560-V617 HydrophobicContact CE1-CG2 3.63Å; F560-V617 HydrophobicContact CE2-CG1 4.16Å; F560-V617 HydrophobicContact CG-CG2 4.35Å; F560-V617 HydrophobicContact CZ-CG1 3.91Å; F560-V617 HydrophobicContact CZ-CG2 4.38Å |
| 561 | K | 95.9 | Very high | 92.8 | Very high | 62 Ų | 62 | 55.1 Ų | 55.1 | 27% | 0.27 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 108.7 | 179.3 | -55.5 | -174.1 | -160.7 | 155.9 | 0 | 110.6 | E559 V563 G615 E616 | E559-K561 HydrophobicContact CG-CD 4.49Å; E559-K561 HydrophobicContact CG-CG 3.83Å; E559-K561 WeakPolarHBondContact OE2-CE 2.9Å; E559-K561 IonicContact OE2-NZ 3.32Å; K561-V563 PolarHBondContact O-N 3.01Å; K561-G615 CarbonylContact O-C 3.5Å; K561-G615 WeakPolarHBondContact O-CA 3.19Å; K561-E616 HydrophobicContact CB-CG 3.97Å; K561-E616 HydrophobicContact CD-CG 4.04Å; K561-E616 VanDerWaalsContact CD-OE1 3.31Å; K561-E616 WeakPolarHBondContact CD-OE1 3.25Å; K561-E616 WeakPolarHBondContact CE-OE1 2.92Å; K561-E616 HydrophobicContact CG-CG 4.3Å; K561-E616 PolarHBondContact N-O 3.21Å; K561-E616 IonicContact NZ-OE1 3.94Å; K561-E616 PolarHBondContact NZ-OE1 3.46Å; K561-E616 PolarHBondContact O-N 3.47Å |
| 562 | H | 96.3 | Very high | 93 | Very high | 112 Ų | 112 | 62.8 Ų | 62.8 | 52% | 0.519 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 52.1 | 42.2 | 173.4 | -63.2 | -68.8 | 0 | 0 | 0 | 113.2 | S564 D578 V579 S580 G615 | H562-S564 PolarHBondContact O-N 3.44Å; H562-D578 VanDerWaalsContact CA-OD1 3.23Å; H562-D578 WeakPolarHBondContact CA-OD1 3.29Å; H562-D578 WeakPolarHBondContact CB-OD1 3.45Å; H562-D578 IonicContact CE1-OD1 3.46Å; H562-D578 IonicContact CG-OD1 3.8Å; H562-D578 VanDerWaalsContact CG-OD1 3.32Å; H562-D578 IonicContact ND1-OD1 3.85Å; H562-D578 PolarHBondContact ND1-OD1 3.44Å; H562-D578 IonicContact ND1-OD2 2.68Å; H562-V579 PolarHBondContact N-O 3.25Å; H562-S580 WeakPolarHBondContact CA-OG 3.34Å; H562-S580 PolarHBondContact N-OG 3.28Å; H562-S580 PolarHBondContact ND1-OG 2.68Å; H562-G615 WeakPolarHBondContact O-CA 3.25Å |
| 563 | V | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 120.2 | -169.8 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | F560 K561 L576 D578 V579 L605 A612 S614 E616 V617 | F560-V563 HydrophobicContact CB-CG2 4.07Å; F560-V563 HydrophobicContact CD1-CB 4.39Å; F560-V563 HydrophobicContact CD1-CG2 4.04Å; K561-V563 PolarHBondContact O-N 3.01Å; V563-L576 HydrophobicContact CG1-CD1 4.49Å; V563-D578 PolarHBondContact O-N 2.82Å; V563-V579 PolarHBondContact N-O 3.23Å; V563-V579 PolarHBondContact O-N 2.94Å; V563-L605 HydrophobicContact CG1-CD1 3.83Å; V563-A612 HydrophobicContact CG1-CB 3.86Å; V563-S614 WeakPolarHBondContact CA-O 3.41Å; V563-E616 WeakPolarHBondContact CG2-O 3.24Å; V563-V617 HydrophobicContact CG1-CG2 4.45Å; V563-V617 HydrophobicContact CG2-CG2 3.93Å |
| 564 | S | 96.4 | Very high | 93.6 | Very high | 20 Ų | 20 | 61 Ų | 61 | 14% | 0.14 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 136.6 | 166.7 | -55.5 | 0 | 0 | 0 | 0 | 110.2 | H562 L576 D578 N613 S614 | H562-S564 PolarHBondContact O-N 3.44Å; S564-L576 CarbonylContact C-O 3.58Å; S564-L576 WeakPolarHBondContact CA-O 3.21Å; S564-D578 PolarHBondContact OG-N 3.32Å; S564-N613 WeakPolarHBondContact O-CB 3.4Å; S564-N613 PolarHBondContact O-N 3.18Å; S564-S614 VanDerWaalsContact CB-OG 3.32Å; S564-S614 WeakPolarHBondContact CB-OG 3.27Å; S564-S614 PolarHBondContact N-O 3.27Å; S564-S614 PolarHBondContact O-N 3.44Å; S564-S614 PolarHBondContact OG-OG 3.45Å |
| 565 | F | 96.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.009 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 140.6 | -171.8 | 175.4 | -109.8 | 0 | 0 | 0 | 113.1 | Y567 V575 L576 L605 Y610 E611 N613 | F565-Y567 AromaticContact CE1-CD1 3.98Å; F565-Y567 HydrophobicContact CE1-CD1 3.98Å; F565-Y567 AromaticContact CE1-CD2 3.89Å; F565-Y567 HydrophobicContact CE1-CD2 3.89Å; F565-Y567 AromaticContact CE1-CE1 3.89Å; F565-Y567 HydrophobicContact CE1-CE1 3.89Å; F565-Y567 AromaticContact CE1-CE2 3.8Å; F565-Y567 HydrophobicContact CE1-CE2 3.8Å; F565-Y567 AromaticContact CE1-CG 3.98Å; F565-Y567 HydrophobicContact CE1-CG 3.98Å; F565-Y567 AromaticContact CE1-CZ 3.8Å; F565-Y567 AromaticContact CZ-CD1 3.86Å; F565-Y567 HydrophobicContact CZ-CD1 3.86Å; F565-Y567 HydrophobicContact CZ-CD2 4.45Å; F565-Y567 HydrophobicContact CZ-CE1 4.05Å; F565-Y567 HydrophobicContact CZ-CG 4.07Å; F565-V575 PolarHBondContact O-N 3.42Å; F565-L576 HydrophobicContact CB-CB 4.13Å; F565-L576 HydrophobicContact CB-CD1 4.22Å; F565-L576 HydrophobicContact CB-CG 4.41Å; F565-L576 PolarHBondContact N-O 2.92Å; F565-L576 PolarHBondContact O-N 3.38Å; F565-L576 VanDerWaalsContact O-N 3.07Å; F565-L605 HydrophobicContact CB-CD1 3.91Å; F565-L605 HydrophobicContact CD1-CD1 4.28Å; F565-L605 HydrophobicContact CD2-CD1 4.47Å; F565-L605 HydrophobicContact CD2-CD2 3.72Å; F565-L605 HydrophobicContact CD2-CG 4.5Å; F565-L605 HydrophobicContact CE2-CD2 3.98Å; F565-L605 HydrophobicContact CG-CD1 3.96Å; F565-L605 HydrophobicContact CG-CD2 4.03Å; F565-L605 HydrophobicContact CG-CG 4.33Å; F565-L605 HydrophobicContact CZ-CD2 4.49Å; F565-Y610 HydrophobicContact CE2-CG 4.18Å; F565-Y610 HydrophobicContact CZ-CD1 4.14Å; F565-Y610 HydrophobicContact CZ-CD2 4.24Å; F565-Y610 AromaticContact CZ-CG 3.73Å; F565-Y610 HydrophobicContact CZ-CG 3.73Å; F565-E611 VanDerWaalsContact CD2-O 3.3Å; F565-E611 WeakPolarHBondContact CD2-O 3.48Å; F565-E611 WeakPolarHBondContact CE2-O 3.36Å; F565-N613 VanDerWaalsContact C-OD1 3.24Å; F565-N613 WeakPolarHBondContact CA-OD1 3.38Å |
| 566 | S | 94.5 | Very high | 94 | Very high | 11 Ų | 11 | 55.1 Ų | 55.1 | 8% | 0.077 | 27% | 0.273 | C | S | . | . | trans | -136.9 | 137.6 | 173.9 | -44.1 | 0 | 0 | 0 | 0 | 108.2 | Q573 I574 N613 | S566-Q573 WeakPolarHBondContact CB-O 3.34Å; S566-I574 WeakPolarHBondContact OG-CA 3.41Å; S566-N613 PolarHBondContact N-OD1 3.31Å; S566-N613 PolarHBondContact OG-OD1 3.03Å | ||
| 567 | Y | 93.6 | Very high | 94.2 | Very high | 37 Ų | 37 | 57.4 Ų | 57.4 | 15% | 0.145 | 29% | 0.286 | C | S | . | . | trans | -66.8 | 141.9 | 177.4 | -75.6 | -85 | 0 | 0 | 0 | 110.6 | F565 S569 R570 V575 S601 Y610 | F565-Y567 AromaticContact CE1-CD1 3.98Å; F565-Y567 HydrophobicContact CE1-CD1 3.98Å; F565-Y567 AromaticContact CE1-CD2 3.89Å; F565-Y567 HydrophobicContact CE1-CD2 3.89Å; F565-Y567 AromaticContact CE1-CE1 3.89Å; F565-Y567 HydrophobicContact CE1-CE1 3.89Å; F565-Y567 AromaticContact CE1-CE2 3.8Å; F565-Y567 HydrophobicContact CE1-CE2 3.8Å; F565-Y567 AromaticContact CE1-CG 3.98Å; F565-Y567 HydrophobicContact CE1-CG 3.98Å; F565-Y567 AromaticContact CE1-CZ 3.8Å; F565-Y567 AromaticContact CZ-CD1 3.86Å; F565-Y567 HydrophobicContact CZ-CD1 3.86Å; F565-Y567 HydrophobicContact CZ-CD2 4.45Å; F565-Y567 HydrophobicContact CZ-CE1 4.05Å; F565-Y567 HydrophobicContact CZ-CG 4.07Å; Y567-S569 PolarHBondContact O-N 3.17Å; Y567-S569 VanDerWaalsContact O-N 3.1Å; Y567-R570 CarbonylContact O-C 3.58Å; Y567-R570 WeakPolarHBondContact O-CA 3.2Å; Y567-R570 PolarHBondContact O-N 2.8Å; Y567-V575 HydrophobicContact CD2-CG2 3.84Å; Y567-V575 HydrophobicContact CE2-CG1 4.42Å; Y567-V575 HydrophobicContact CE2-CG2 4.08Å; Y567-S601 WeakPolarHBondContact CE2-OG 3.38Å; Y567-S601 PolarHBondContact OH-OG 2.95Å; Y567-Y610 HydrophobicContact CD1-CD1 4.24Å; Y567-Y610 AromaticContact CD1-CE1 3.82Å; Y567-Y610 HydrophobicContact CD1-CE1 3.82Å; Y567-Y610 HydrophobicContact CD1-CE2 4.32Å; Y567-Y610 AromaticContact CD1-CZ 3.88Å; Y567-Y610 HydrophobicContact CE1-CD2 4.18Å; Y567-Y610 HydrophobicContact CE1-CE1 4.08Å; Y567-Y610 AromaticContact CE1-CE2 3.72Å; Y567-Y610 HydrophobicContact CE1-CE2 3.72Å; Y567-Y610 AromaticContact CE1-CZ 3.66Å | ||
| 568 | P | 90.4 | Very high | 94.1 | Very high | 67 Ų | 67 | 56.8 Ų | 56.8 | 44% | 0.435 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -29.4 | 178.5 | -26.5 | 34.4 | 0 | 0 | 0 | 114 | R570 Y610 | P568-R570 VanDerWaalsContact C-N 3.28Å; P568-R570 PolarHBondContact O-N 3.09Å; P568-Y610 HydrophobicContact CG-CD1 4.38Å |
| 569 | S | 88.3 | Confident | 94 | Very high | 73 Ų | 73 | 56.8 Ų | 56.8 | 51% | 0.51 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -19.5 | 175.9 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | Y567 | Y567-S569 PolarHBondContact O-N 3.17Å; Y567-S569 VanDerWaalsContact O-N 3.1Å |
| 570 | R | 90.9 | Very high | 94 | Very high | 131 Ų | 131 | 56.5 Ų | 56.5 | 49% | 0.494 | 29% | 0.293 | S | S | . | . | trans | -142.1 | 67.8 | -178.1 | -68.7 | -178.6 | -76.7 | 165.4 | -9.5 | 110.4 | Y567 P568 E572 Q573 | Y567-R570 CarbonylContact O-C 3.58Å; Y567-R570 WeakPolarHBondContact O-CA 3.2Å; Y567-R570 PolarHBondContact O-N 2.8Å; P568-R570 VanDerWaalsContact C-N 3.28Å; P568-R570 PolarHBondContact O-N 3.09Å; R570-E572 PolarHBondContact O-N 2.61Å; R570-Q573 HydrophobicContact CB-CB 4.28Å; R570-Q573 PolarHBondContact O-N 2.71Å; R570-Q573 VanDerWaalsContact O-N 3.12Å | ||
| 571 | P | 89.1 | Confident | 93.9 | Very high | 84 Ų | 84 | 56.8 Ų | 56.8 | 55% | 0.545 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26.9 | -174.2 | 26.6 | -34.9 | 0 | 0 | 0 | 113.3 | Q573 | P571-Q573 PolarHBondContact O-N 3.46Š|
| 572 | E | 92.1 | Very high | 93.9 | Very high | 185 Ų | 185 | 55.7 Ų | 55.7 | 86% | 0.864 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -14.6 | 178.5 | -53.5 | -61.4 | 161.5 | 0 | 0 | 113.2 | R570 | R570-E572 PolarHBondContact O-N 2.61Š|
| 573 | Q | 92.1 | Very high | 93.9 | Very high | 98 Ų | 98 | 50.3 Ų | 50.3 | 46% | 0.458 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -106 | 98.6 | -176.4 | -172.4 | 177.4 | 13.5 | 0 | 0 | 110.7 | S566 R570 P571 V575 | S566-Q573 WeakPolarHBondContact CB-O 3.34Å; R570-Q573 HydrophobicContact CB-CB 4.28Å; R570-Q573 PolarHBondContact O-N 2.71Å; R570-Q573 VanDerWaalsContact O-N 3.12Å; P571-Q573 PolarHBondContact O-N 3.46Å; Q573-V575 PolarHBondContact O-N 3.16Å |
| 574 | I | 93.1 | Very high | 93.9 | Very high | 103 Ų | 103 | 56.1 Ų | 56.1 | 53% | 0.528 | 29% | 0.292 | S | S | . | . | trans | -68.4 | 115.6 | 172.9 | -57.6 | 174.4 | 0 | 0 | 0 | 109.1 | S566 L576 N577 | S566-I574 WeakPolarHBondContact OG-CA 3.41Å; I574-L576 WeakPolarHBondContact CG2-O 3.28Å; I574-N577 HydrophobicContact CG2-CB 3.97Å | ||
| 575 | V | 94.5 | Very high | 93.8 | Very high | 20 Ų | 20 | 58.4 Ų | 58.4 | 12% | 0.121 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -91.7 | -39.3 | -180 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | F565 Y567 Q573 S601 G772 | F565-V575 PolarHBondContact O-N 3.42Å; Y567-V575 HydrophobicContact CD2-CG2 3.84Å; Y567-V575 HydrophobicContact CE2-CG1 4.42Å; Y567-V575 HydrophobicContact CE2-CG2 4.08Å; Q573-V575 PolarHBondContact O-N 3.16Å; V575-S601 WeakPolarHBondContact CG1-OG 3.49Å; V575-G772 WeakPolarHBondContact O-CA 3.48Å |
| 576 | L | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136.4 | 171.4 | -59.2 | 174.7 | 0 | 0 | 0 | 108.6 | V563 S564 F565 I574 V579 L605 | V563-L576 HydrophobicContact CG1-CD1 4.49Å; S564-L576 CarbonylContact C-O 3.58Å; S564-L576 WeakPolarHBondContact CA-O 3.21Å; F565-L576 HydrophobicContact CB-CB 4.13Å; F565-L576 HydrophobicContact CB-CD1 4.22Å; F565-L576 HydrophobicContact CB-CG 4.41Å; F565-L576 PolarHBondContact N-O 2.92Å; F565-L576 PolarHBondContact O-N 3.38Å; F565-L576 VanDerWaalsContact O-N 3.07Å; I574-L576 WeakPolarHBondContact CG2-O 3.28Å; L576-V579 HydrophobicContact CB-CG2 4.04Å; L576-V579 HydrophobicContact CD2-CG2 4.08Å; L576-L605 HydrophobicContact CD1-CD1 3.64Å |
| 577 | N | 95.1 | Very high | 93.5 | Very high | 49 Ų | 49 | 61 Ų | 61 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 104.1 | -176.1 | -171.6 | -1.9 | 0 | 0 | 0 | 109 | I574 V579 G772 R773 | I574-N577 HydrophobicContact CG2-CB 3.97Å; N577-V579 PolarHBondContact O-N 2.99Å; N577-G772 PolarHBondContact N-O 3.5Å; N577-R773 HydrophobicContact CB-CG 4.11Å; N577-R773 PolarHBondContact ND2-NE 2.91Å; N577-R773 PolarHBondContact ND2-NH2 3.16Å; N577-R773 WeakPolarHBondContact O-CG 3.23Å |
| 578 | D | 94.3 | Very high | 93.6 | Very high | 90 Ų | 90 | 59.8 Ų | 59.8 | 48% | 0.481 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 52.1 | 51.3 | 179.7 | -166 | 35.1 | 0 | 0 | 0 | 114 | H562 V563 S564 | H562-D578 VanDerWaalsContact CA-OD1 3.23Å; H562-D578 WeakPolarHBondContact CA-OD1 3.29Å; H562-D578 WeakPolarHBondContact CB-OD1 3.45Å; H562-D578 IonicContact CE1-OD1 3.46Å; H562-D578 IonicContact CG-OD1 3.8Å; H562-D578 VanDerWaalsContact CG-OD1 3.32Å; H562-D578 IonicContact ND1-OD1 3.85Å; H562-D578 PolarHBondContact ND1-OD1 3.44Å; H562-D578 IonicContact ND1-OD2 2.68Å; V563-D578 PolarHBondContact O-N 2.82Å; S564-D578 PolarHBondContact OG-N 3.32Å |
| 579 | V | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 120.6 | -179 | 174.1 | 0 | 0 | 0 | 0 | 110.3 | H562 V563 L576 N577 F581 G772 I774 | H562-V579 PolarHBondContact N-O 3.25Å; V563-V579 PolarHBondContact N-O 3.23Å; V563-V579 PolarHBondContact O-N 2.94Å; L576-V579 HydrophobicContact CB-CG2 4.04Å; L576-V579 HydrophobicContact CD2-CG2 4.08Å; N577-V579 PolarHBondContact O-N 2.99Å; V579-F581 HydrophobicContact CG1-CD1 3.87Å; V579-F581 HydrophobicContact CG1-CE1 3.95Å; V579-G772 WeakPolarHBondContact CG2-O 3.17Å; V579-I774 HydrophobicContact CG1-CD1 3.75Å; V579-I774 HydrophobicContact CG1-CG1 3.99Å |
| 580 | S | 95.7 | Very high | 94.1 | Very high | 41 Ų | 41 | 53.1 Ų | 53.1 | 29% | 0.287 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 117.9 | 178.4 | -64.1 | 0 | 0 | 0 | 0 | 112.3 | F560 H562 I774 | F560-S580 CarbonylContact O-C 3.58Å; F560-S580 VanDerWaalsContact O-CA 3.23Å; F560-S580 WeakPolarHBondContact O-CA 3.45Å; H562-S580 WeakPolarHBondContact CA-OG 3.34Å; H562-S580 PolarHBondContact N-OG 3.28Å; H562-S580 PolarHBondContact ND1-OG 2.68Å; S580-I774 WeakPolarHBondContact O-CD1 3.34Å |
| 581 | F | 96.3 | Very high | 94.3 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 154.5 | 171.6 | 69.7 | -83.8 | 0 | 0 | 0 | 110.6 | F560 V579 V583 L591 L751 V767 I774 | F560-F581 HydrophobicContact CB-CD1 3.97Å; F560-F581 HydrophobicContact CB-CE1 3.94Å; F560-F581 HydrophobicContact CD1-CE1 4.14Å; F560-F581 HydrophobicContact CD1-CZ 4.47Å; F560-F581 HydrophobicContact CD2-CD1 4.19Å; F560-F581 HydrophobicContact CD2-CD2 4.39Å; F560-F581 AromaticContact CD2-CE1 3.54Å; F560-F581 HydrophobicContact CD2-CE1 3.54Å; F560-F581 AromaticContact CD2-CE2 3.75Å; F560-F581 HydrophobicContact CD2-CE2 3.75Å; F560-F581 AromaticContact CD2-CZ 3.28Å; F560-F581 HydrophobicContact CD2-CZ 3.28Å; F560-F581 HydrophobicContact CE2-CE1 4.05Å; F560-F581 HydrophobicContact CE2-CE2 4.01Å; F560-F581 AromaticContact CE2-CZ 3.45Å; F560-F581 HydrophobicContact CE2-CZ 3.45Å; F560-F581 VanDerWaalsContact CE2-CZ 3.45Å; F560-F581 HydrophobicContact CG-CD1 4.15Å; F560-F581 AromaticContact CG-CE1 3.6Å; F560-F581 HydrophobicContact CG-CE1 3.6Å; F560-F581 AromaticContact CG-CZ 3.87Å; F560-F581 HydrophobicContact CG-CZ 3.87Å; F560-F581 HydrophobicContact CZ-CZ 4.13Å; F560-F581 PolarHBondContact N-O 3.04Å; F560-F581 PolarHBondContact O-N 2.95Å; V579-F581 HydrophobicContact CG1-CD1 3.87Å; V579-F581 HydrophobicContact CG1-CE1 3.95Å; F581-V583 HydrophobicContact CD2-CG2 4.22Å; F581-V583 HydrophobicContact CE2-CG2 4.02Å; F581-L591 HydrophobicContact CE2-CD2 4.24Å; F581-L591 HydrophobicContact CZ-CD2 4.1Å; F581-L751 HydrophobicContact CE2-CD1 4.07Å; F581-V767 HydrophobicContact CB-CG2 4.49Å; F581-I774 HydrophobicContact CB-CD1 4.1Å; F581-I774 HydrophobicContact CD1-CD1 4.03Å |
| 582 | D | 95.7 | Very high | 94.4 | Very high | 38 Ų | 38 | 43.3 Ų | 43.3 | 20% | 0.203 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 160.7 | 174.1 | 70.1 | -43.9 | 0 | 0 | 0 | 111.1 | V558 E559 R765 | V558-D582 CarbonylContact O-C 3.25Å; V558-D582 VanDerWaalsContact O-CA 3.29Å; V558-D582 WeakPolarHBondContact O-CA 3.2Å; E559-D582 HydrophobicContact CB-CB 4.42Å; E559-D582 HydrophobicContact CG-CB 4.21Å; D582-R765 PolarHBondContact O-NH1 3.35Å; D582-R765 PolarHBondContact O-NH2 3.3Å; D582-R765 IonicContact OD1-CZ 3.73Å; D582-R765 IonicContact OD1-NH1 3.14Å; D582-R765 PolarHBondContact OD1-NH1 3.23Å; D582-R765 VanDerWaalsContact OD1-NH1 3.14Å; D582-R765 IonicContact OD1-NH2 3.44Å; D582-R765 PolarHBondContact OD1-NH2 2.91Å |
| 583 | V | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 117.4 | 168.2 | -170.2 | 0 | 0 | 0 | 0 | 106.6 | R557 V558 F581 E587 V589 T749 L751 | R557-V583 WeakPolarHBondContact CA-O 3.35Å; V558-V583 HydrophobicContact CB-CB 4.11Å; V558-V583 HydrophobicContact CB-CG2 4.26Å; V558-V583 PolarHBondContact N-O 2.9Å; V558-V583 PolarHBondContact O-N 3.47Å; F581-V583 HydrophobicContact CD2-CG2 4.22Å; F581-V583 HydrophobicContact CE2-CG2 4.02Å; V583-E587 HydrophobicContact CG1-CB 4.3Å; V583-V589 HydrophobicContact CB-CG2 4.28Å; V583-V589 HydrophobicContact CG1-CB 4.14Å; V583-V589 HydrophobicContact CG1-CG2 3.71Å; V583-V589 HydrophobicContact CG2-CB 4.1Å; V583-V589 HydrophobicContact CG2-CG1 4.48Å; V583-V589 HydrophobicContact CG2-CG2 4.06Å; V583-T749 HydrophobicContact CB-CG2 4.06Å; V583-T749 HydrophobicContact CG1-CG2 3.34Å; V583-L751 HydrophobicContact CG2-CD1 4.2Å |
| 584 | K | 95.6 | Very high | 94.2 | Very high | 121 Ų | 121 | 32.7 Ų | 32.7 | 53% | 0.526 | 19% | 0.191 | S | C | . | . | trans | -74 | 155 | -177.6 | -63.5 | 170.9 | -175.2 | 169.4 | 0 | 110.5 | G586 E587 | K584-G586 PolarHBondContact O-N 3.26Å; K584-E587 HydrophobicContact CB-CB 4.04Å; K584-E587 VanDerWaalsContact CB-OE2 3.31Å; K584-E587 WeakPolarHBondContact CB-OE2 3.5Å; K584-E587 WeakPolarHBondContact CG-OE2 3.26Å; K584-E587 PolarHBondContact N-OE2 2.98Å; K584-E587 VanDerWaalsContact O-CB 3.26Å; K584-E587 WeakPolarHBondContact O-CB 3.43Å; K584-E587 PolarHBondContact O-N 3.42Å | ||
| 585 | P | 94.3 | Very high | 93.9 | Very high | 68 Ų | 68 | 33 Ų | 33 | 44% | 0.442 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 123.8 | 173.8 | -27.8 | 36.7 | 0 | 0 | 0 | 112 | M555 R557 E587 T749 | M555-P585 HydrophobicContact CB-CG 4.19Å; R557-P585 HydrophobicContact CB-CG 3.96Å; P585-E587 VanDerWaalsContact C-N 3.27Å; P585-E587 PolarHBondContact O-N 2.99Å; P585-T749 WeakPolarHBondContact CA-OG1 3.38Å |
| 586 | G | 91.7 | Very high | 93.5 | Very high | 43 Ų | 43 | 35.7 Ų | 35.7 | 44% | 0.443 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 2.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | K584 H748 T749 | K584-G586 PolarHBondContact O-N 3.26Å; G586-H748 WeakPolarHBondContact CA-O 3.4Å; G586-T749 PolarHBondContact N-OG1 3Å; G586-T749 VanDerWaalsContact N-OG1 3.11Å |
| 587 | E | 94.2 | Very high | 93.2 | Very high | 24 Ų | 24 | 35.9 Ų | 35.9 | 11% | 0.112 | 24% | 0.235 | C | C | . | . | trans | -82.9 | 143.2 | 175.6 | -170.8 | -173.3 | -177.8 | 0 | 0 | 110.6 | V583 K584 P585 V589 V750 D764 R765 | V583-E587 HydrophobicContact CG1-CB 4.3Å; K584-E587 HydrophobicContact CB-CB 4.04Å; K584-E587 VanDerWaalsContact CB-OE2 3.31Å; K584-E587 WeakPolarHBondContact CB-OE2 3.5Å; K584-E587 WeakPolarHBondContact CG-OE2 3.26Å; K584-E587 PolarHBondContact N-OE2 2.98Å; K584-E587 VanDerWaalsContact O-CB 3.26Å; K584-E587 WeakPolarHBondContact O-CB 3.43Å; K584-E587 PolarHBondContact O-N 3.42Å; P585-E587 VanDerWaalsContact C-N 3.27Å; P585-E587 PolarHBondContact O-N 2.99Å; E587-V589 HydrophobicContact CG-CG2 3.94Å; E587-V750 PolarHBondContact O-N 3.1Å; E587-D764 HydrophobicContact CG-CB 4.05Å; E587-R765 WeakPolarHBondContact OE1-CB 3.14Å; E587-R765 IonicContact OE1-CZ 3.38Å; E587-R765 IonicContact OE1-NE 2.82Å; E587-R765 PolarHBondContact OE1-NE 2.88Å; E587-R765 IonicContact OE1-NH2 3.02Å; E587-R765 PolarHBondContact OE1-NH2 3.36Å; E587-R765 IonicContact OE2-NH2 3Å; E587-R765 PolarHBondContact OE2-NH2 2.97Å | ||
| 588 | T | 94.1 | Very high | 93.1 | Very high | 12 Ų | 12 | 33.8 Ų | 33.8 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 110.4 | 170.4 | -58.7 | 0 | 0 | 0 | 0 | 110.5 | L745 V750 L752 A763 D764 R765 | T588-L745 HydrophobicContact CG2-CD1 4.2Å; T588-V750 WeakPolarHBondContact CA-O 3.43Å; T588-V750 HydrophobicContact CG2-CB 4.07Å; T588-V750 HydrophobicContact CG2-CG1 4.05Å; T588-L752 HydrophobicContact CG2-CD2 3.7Å; T588-A763 HydrophobicContact CG2-CB 4.4Å; T588-D764 WeakPolarHBondContact CB-OD2 3.3Å; T588-D764 PolarHBondContact N-OD2 3.43Å; T588-D764 PolarHBondContact O-N 2.95Å; T588-R765 PolarHBondContact O-N 3.44Å |
| 589 | V | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 128.8 | 178.8 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | V583 E587 V750 L751 L752 R765 V767 | V583-V589 HydrophobicContact CB-CG2 4.28Å; V583-V589 HydrophobicContact CG1-CB 4.14Å; V583-V589 HydrophobicContact CG1-CG2 3.71Å; V583-V589 HydrophobicContact CG2-CB 4.1Å; V583-V589 HydrophobicContact CG2-CG1 4.48Å; V583-V589 HydrophobicContact CG2-CG2 4.06Å; E587-V589 HydrophobicContact CG-CG2 3.94Å; V589-V750 PolarHBondContact N-O 2.91Å; V589-L751 HydrophobicContact CB-CD1 4.25Å; V589-L751 HydrophobicContact CG1-CD1 4.12Å; V589-L752 PolarHBondContact O-N 2.84Å; V589-R765 CarbonylContact C-O 3.58Å; V589-R765 VanDerWaalsContact CA-O 3.29Å; V589-R765 WeakPolarHBondContact CA-O 3.49Å; V589-R765 HydrophobicContact CG2-CB 4.28Å; V589-V767 HydrophobicContact CG1-CG2 3.8Å |
| 590 | A | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 125.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V592 L752 A763 R765 I766 V767 | A590-V592 HydrophobicContact CB-CG2 4.43Å; A590-L752 CarbonylContact C-O 3.58Å; A590-L752 VanDerWaalsContact CA-O 3.31Å; A590-L752 WeakPolarHBondContact CA-O 3.49Å; A590-L752 HydrophobicContact CB-CD1 3.66Å; A590-L752 HydrophobicContact CB-CG 4.21Å; A590-A763 HydrophobicContact CB-CB 3.6Å; A590-R765 PolarHBondContact N-O 2.9Å; A590-I766 HydrophobicContact CB-CG1 4.34Å; A590-I766 CarbonylContact O-C 3.39Å; A590-I766 WeakPolarHBondContact O-CA 3.4Å; A590-V767 PolarHBondContact O-N 3.26Å |
| 591 | L | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 119.7 | 168.9 | -56.6 | -175 | 0 | 0 | 0 | 109.6 | F581 K599 C602 L751 L752 I753 A754 V767 I769 | F581-L591 HydrophobicContact CE2-CD2 4.24Å; F581-L591 HydrophobicContact CZ-CD2 4.1Å; L591-K599 HydrophobicContact CB-CB 4.38Å; L591-K599 HydrophobicContact CB-CD 4.44Å; L591-K599 HydrophobicContact CB-CG 4.33Å; L591-C602 HydrophobicContact CD1-CB 3.97Å; L591-L751 HydrophobicContact CD1-CD1 4.05Å; L591-L751 HydrophobicContact CD1-CD2 4.41Å; L591-L751 HydrophobicContact CD1-CG 4.34Å; L591-L751 HydrophobicContact CD2-CD1 3.95Å; L591-L751 HydrophobicContact CG-CD1 3.75Å; L591-L751 HydrophobicContact CG-CG 4.45Å; L591-L752 PolarHBondContact N-O 2.89Å; L591-I753 HydrophobicContact CB-CG1 4.18Å; L591-I753 HydrophobicContact CD1-CG1 4.34Å; L591-A754 PolarHBondContact O-N 3.28Å; L591-V767 WeakPolarHBondContact CA-O 3.45Å; L591-V767 HydrophobicContact CD2-CB 3.78Å; L591-V767 HydrophobicContact CD2-CG1 4.13Å; L591-V767 HydrophobicContact CD2-CG2 4.43Å; L591-I769 HydrophobicContact CD1-CD1 4.42Å; L591-I769 HydrophobicContact CD2-CD1 4.18Å |
| 592 | V | 92.2 | Very high | 92.9 | Very high | 10 Ų | 10 | 30 Ų | 30 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 146 | -176.5 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | A590 V760 I766 V767 V768 I769 Y790 L793 | A590-V592 HydrophobicContact CB-CG2 4.43Å; V592-V760 HydrophobicContact CG2-CG1 3.93Å; V592-V760 HydrophobicContact CG2-CG2 3.71Å; V592-I766 HydrophobicContact CB-CG2 4.19Å; V592-I766 HydrophobicContact CG2-CG2 3.79Å; V592-V767 PolarHBondContact N-O 3.44Å; V592-V768 CarbonylContact O-C 3.51Å; V592-V768 VanDerWaalsContact O-CA 3.28Å; V592-V768 WeakPolarHBondContact O-CA 3.22Å; V592-I769 PolarHBondContact O-N 3.26Å; V592-Y790 HydrophobicContact CG1-CD2 4.34Å; V592-Y790 HydrophobicContact CG1-CE2 4.38Å; V592-L793 HydrophobicContact CG1-CD1 4.07Å |
| 593 | G | 90.7 | Very high | 92.9 | Very high | 10 Ų | 10 | 28.3 Ų | 28.3 | 10% | 0.103 | 20% | 0.196 | C | C | . | . | trans | 160.8 | 171.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | K599 I769 | G593-K599 PolarHBondContact O-NZ 2.79Å; G593-I769 WeakPolarHBondContact CA-O 3.26Å | ||
| 594 | P | 89 | Confident | 92.9 | Very high | 50 Ų | 50 | 29.3 Ų | 29.3 | 33% | 0.325 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -59.2 | 158.4 | 177.4 | 24.6 | -33.2 | 0 | 0 | 0 | 112.5 | S597 K599 | P594-S597 VanDerWaalsContact O-CB 3.31Å; P594-S597 WeakPolarHBondContact O-CB 3.3Å; P594-S597 PolarHBondContact O-N 2.89Å; P594-S597 PolarHBondContact O-OG 2.84Å; P594-K599 PolarHBondContact O-NZ 3.43Å |
| 595 | S | 86.7 | Confident | 92.9 | Very high | 108 Ų | 108 | 23.7 Ų | 23.7 | 76% | 0.755 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 139.9 | 173.7 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | S597 | S595-S597 VanDerWaalsContact C-N 3.31Å; S595-S597 PolarHBondContact O-N 3.26Å |
| 596 | G | 87 | Confident | 93 | Very high | 78 Ų | 78 | 20.5 Ų | 20.5 | 80% | 0.804 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | G598 | G596-G598 PolarHBondContact O-N 3.48Š|
| 597 | S | 89.8 | Confident | 93.1 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -73.7 | -4.8 | 177.4 | 66.9 | 0 | 0 | 0 | 0 | 115.6 | P594 S595 K599 I769 | P594-S597 VanDerWaalsContact O-CB 3.31Å; P594-S597 WeakPolarHBondContact O-CB 3.3Å; P594-S597 PolarHBondContact O-N 2.89Å; P594-S597 PolarHBondContact O-OG 2.84Å; S595-S597 VanDerWaalsContact C-N 3.31Å; S595-S597 PolarHBondContact O-N 3.26Å; S597-K599 WeakPolarHBondContact OG-CG 3.47Å; S597-K599 PolarHBondContact OG-NZ 3.05Å; S597-I769 WeakPolarHBondContact CB-O 3.48Å; S597-I769 WeakPolarHBondContact O-CG2 3.17Å; S597-I769 PolarHBondContact OG-O 2.99Å |
| 598 | G | 91.9 | Very high | 93.1 | Very high | 6 Ų | 6 | 18.8 Ų | 18.8 | 6% | 0.062 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 100.2 | 6.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | G596 S600 S601 C602 | G596-G598 PolarHBondContact O-N 3.48Å; G598-S600 PolarHBondContact O-N 3.35Å; G598-S601 WeakPolarHBondContact O-CA 3.48Å; G598-S601 WeakPolarHBondContact O-CB 3.39Å; G598-S601 PolarHBondContact O-N 2.78Å; G598-S601 VanDerWaalsContact O-N 3.07Å; G598-C602 PolarHBondContact O-N 3.43Å |
| 599 | K | 93.6 | Very high | 93.2 | Very high | 13 Ų | 13 | 20.9 Ų | 20.9 | 6% | 0.057 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55.2 | -54.4 | -177.7 | -54.5 | 179.7 | -63 | -81.3 | 0 | 113.3 | L591 G593 P594 S597 S601 C602 I753 | L591-K599 HydrophobicContact CB-CB 4.38Å; L591-K599 HydrophobicContact CB-CD 4.44Å; L591-K599 HydrophobicContact CB-CG 4.33Å; G593-K599 PolarHBondContact O-NZ 2.79Å; P594-K599 PolarHBondContact O-NZ 3.43Å; S597-K599 WeakPolarHBondContact OG-CG 3.47Å; S597-K599 PolarHBondContact OG-NZ 3.05Å; K599-S601 PolarHBondContact O-N 2.76Å; K599-C602 VanDerWaalsContact O-CB 3.32Å; K599-C602 WeakPolarHBondContact O-CB 3.3Å; K599-C602 PolarHBondContact O-N 3.21Å; K599-I753 HydrophobicContact CB-CD1 3.72Å; K599-I753 HydrophobicContact CB-CG1 3.99Å; K599-I753 HydrophobicContact CB-CG2 3.99Å; K599-I753 HydrophobicContact CD-CG2 3.92Å; K599-I753 WeakPolarHBondContact O-CD1 3.27Å |
| 600 | S | 93.7 | Very high | 93.1 | Very high | 40 Ų | 40 | 21.7 Ų | 21.7 | 28% | 0.28 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -66.8 | -22.1 | 178.9 | -45.9 | 0 | 0 | 0 | 0 | 112.2 | G598 I603 S604 D723 | G598-S600 PolarHBondContact O-N 3.35Å; S600-I603 PolarHBondContact O-N 3.37Å; S600-S604 PolarHBondContact O-N 3.5Å; S600-S604 PolarHBondContact O-OG 3.38Å; S600-D723 WeakPolarHBondContact CB-OD2 3.3Å; S600-D723 PolarHBondContact OG-OD1 3.16Å; S600-D723 VanDerWaalsContact OG-OD1 3.07Å; S600-D723 PolarHBondContact OG-OD2 3.41Å |
| 601 | S | 95 | Very high | 93.1 | Very high | 7 Ų | 7 | 25.5 Ų | 25.5 | 5% | 0.049 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68 | -36.6 | 171.9 | -47.8 | 0 | 0 | 0 | 0 | 111.7 | Y567 V575 G598 K599 I603 S604 L605 | Y567-S601 WeakPolarHBondContact CE2-OG 3.38Å; Y567-S601 PolarHBondContact OH-OG 2.95Å; V575-S601 WeakPolarHBondContact CG1-OG 3.49Å; G598-S601 WeakPolarHBondContact O-CA 3.48Å; G598-S601 WeakPolarHBondContact O-CB 3.39Å; G598-S601 PolarHBondContact O-N 2.78Å; G598-S601 VanDerWaalsContact O-N 3.07Å; K599-S601 PolarHBondContact O-N 2.76Å; S601-I603 PolarHBondContact O-N 2.93Å; S601-S604 PolarHBondContact O-N 3.43Å; S601-L605 WeakPolarHBondContact O-CG 3.23Å; S601-L605 PolarHBondContact O-N 2.66Å |
| 602 | C | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.3 | -46.1 | 172.1 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | F560 L591 G598 K599 S604 L605 L606 | F560-C602 HydrophobicContact CE1-CB 3.95Å; F560-C602 HydrophobicContact CZ-CB 3.92Å; F560-C602 WeakPolarHBondContact CZ-O 3.21Å; L591-C602 HydrophobicContact CD1-CB 3.97Å; G598-C602 PolarHBondContact O-N 3.43Å; K599-C602 VanDerWaalsContact O-CB 3.32Å; K599-C602 WeakPolarHBondContact O-CB 3.3Å; K599-C602 PolarHBondContact O-N 3.21Å; C602-S604 VanDerWaalsContact C-N 3.29Å; C602-S604 PolarHBondContact O-N 2.88Å; C602-L605 PolarHBondContact O-N 2.92Å; C602-L606 WeakPolarHBondContact O-CB 3.42Å; C602-L606 PolarHBondContact O-N 3.37Å |
| 603 | I | 95.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.7 | -40.8 | 175.5 | -73.9 | -175 | 0 | 0 | 0 | 111.6 | S600 S601 Q607 L638 L721 D723 I753 | S600-I603 PolarHBondContact O-N 3.37Å; S601-I603 PolarHBondContact O-N 2.93Å; I603-Q607 VanDerWaalsContact CG2-NE2 3.31Å; I603-Q607 PolarHBondContact O-N 3.01Å; I603-Q607 PolarHBondContact O-NE2 3.43Å; I603-L638 HydrophobicContact CG2-CD1 3.57Å; I603-L721 HydrophobicContact CD1-CB 4.48Å; I603-L721 HydrophobicContact CG2-CB 4.45Å; I603-L721 HydrophobicContact CG2-CD1 4.1Å; I603-D723 HydrophobicContact CD1-CB 3.78Å; I603-I753 HydrophobicContact CD1-CD1 3.37Å; I603-I753 HydrophobicContact CD1-CG1 3.82Å; I603-I753 HydrophobicContact CG1-CD1 3.94Å; I603-I753 HydrophobicContact CG1-CG1 4.49Å |
| 604 | S | 95.2 | Very high | 93.3 | Very high | 21 Ų | 21 | 34 Ų | 34 | 15% | 0.147 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.3 | -40.2 | -179.1 | -55.7 | 0 | 0 | 0 | 0 | 112.1 | S600 S601 C602 Q607 H608 F609 | S600-S604 PolarHBondContact O-N 3.5Å; S600-S604 PolarHBondContact O-OG 3.38Å; S601-S604 PolarHBondContact O-N 3.43Å; C602-S604 VanDerWaalsContact C-N 3.29Å; C602-S604 PolarHBondContact O-N 2.88Å; S604-Q607 PolarHBondContact O-N 3.29Å; S604-H608 PolarHBondContact O-N 3.1Å; S604-F609 WeakPolarHBondContact O-CB 3.28Å; S604-F609 PolarHBondContact O-N 3.36Å |
| 605 | L | 95.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.9 | -40.7 | 176.2 | -71.8 | 170.5 | 0 | 0 | 0 | 112.3 | F560 V563 F565 L576 S601 C602 Q607 H608 Y610 A612 V617 | F560-L605 HydrophobicContact CE1-CB 4.4Å; V563-L605 HydrophobicContact CG1-CD1 3.83Å; F565-L605 HydrophobicContact CB-CD1 3.91Å; F565-L605 HydrophobicContact CD1-CD1 4.28Å; F565-L605 HydrophobicContact CD2-CD1 4.47Å; F565-L605 HydrophobicContact CD2-CD2 3.72Å; F565-L605 HydrophobicContact CD2-CG 4.5Å; F565-L605 HydrophobicContact CE2-CD2 3.98Å; F565-L605 HydrophobicContact CG-CD1 3.96Å; F565-L605 HydrophobicContact CG-CD2 4.03Å; F565-L605 HydrophobicContact CG-CG 4.33Å; F565-L605 HydrophobicContact CZ-CD2 4.49Å; L576-L605 HydrophobicContact CD1-CD1 3.64Å; S601-L605 WeakPolarHBondContact O-CG 3.23Å; S601-L605 PolarHBondContact O-N 2.66Å; C602-L605 PolarHBondContact O-N 2.92Å; L605-Q607 VanDerWaalsContact C-N 3.27Å; L605-Q607 PolarHBondContact O-N 2.89Å; L605-H608 WeakPolarHBondContact O-CA 3.48Å; L605-H608 PolarHBondContact O-N 2.66Å; L605-Y610 WeakPolarHBondContact CD2-O 3.13Å; L605-A612 HydrophobicContact CD2-CB 4.46Å; L605-V617 HydrophobicContact CB-CG2 4.14Å |
| 606 | L | 96 | Very high | 94 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.8 | -32.4 | 177.4 | -177.2 | 59.4 | 0 | 0 | 0 | 112.7 | V558 F560 C602 H608 V617 V624 I636 L721 L751 | V558-L606 HydrophobicContact CG1-CD1 3.62Å; V558-L606 HydrophobicContact CG1-CD2 3.84Å; V558-L606 HydrophobicContact CG1-CG 4.38Å; V558-L606 HydrophobicContact CG2-CD1 4.22Å; V558-L606 HydrophobicContact CG2-CD2 4.13Å; F560-L606 HydrophobicContact CZ-CB 4.11Å; C602-L606 WeakPolarHBondContact O-CB 3.42Å; C602-L606 PolarHBondContact O-N 3.37Å; L606-H608 PolarHBondContact O-N 2.82Å; L606-V617 HydrophobicContact CB-CG1 4.33Å; L606-V617 HydrophobicContact CD1-CG1 3.78Å; L606-V624 HydrophobicContact CD1-CG1 4.15Å; L606-I636 HydrophobicContact CD1-CD1 4.41Å; L606-I636 HydrophobicContact CG-CD1 4.17Å; L606-L721 HydrophobicContact CD2-CD1 4.07Å; L606-L721 HydrophobicContact CD2-CD2 3.6Å; L606-L721 HydrophobicContact CD2-CG 4.47Å; L606-L721 HydrophobicContact CG-CD1 4.47Å; L606-L751 HydrophobicContact CD2-CD2 4.17Å |
| 607 | Q | 94.9 | Very high | 94.4 | Very high | 10 Ų | 10 | 29 Ų | 29 | 5% | 0.047 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 2.6 | 171.8 | -76.7 | -179.9 | 97.9 | 0 | 0 | 113.6 | I603 S604 L605 F609 H633 I636 L721 | I603-Q607 VanDerWaalsContact CG2-NE2 3.31Å; I603-Q607 PolarHBondContact O-N 3.01Å; I603-Q607 PolarHBondContact O-NE2 3.43Å; S604-Q607 PolarHBondContact O-N 3.29Å; L605-Q607 VanDerWaalsContact C-N 3.27Å; L605-Q607 PolarHBondContact O-N 2.89Å; Q607-F609 HydrophobicContact CB-CD1 3.88Å; Q607-F609 HydrophobicContact CB-CD2 4.08Å; Q607-F609 HydrophobicContact CB-CE1 3.89Å; Q607-F609 HydrophobicContact CB-CE2 4.06Å; Q607-F609 HydrophobicContact CB-CG 3.99Å; Q607-F609 HydrophobicContact CB-CZ 3.98Å; Q607-F609 HydrophobicContact CG-CZ 4.45Å; Q607-F609 WeakPolarHBondContact O-CD1 3.38Å; Q607-F609 PolarHBondContact O-N 2.83Å; Q607-H633 PolarHBondContact O-CE1 3.11Å; Q607-H633 VanDerWaalsContact O-CE1 3.29Å; Q607-H633 PolarHBondContact O-NE2 3.22Å; Q607-I636 HydrophobicContact CG-CG2 4.2Å; Q607-L721 HydrophobicContact CG-CD1 3.8Å |
| 608 | H | 94.7 | Very high | 94.7 | Very high | 22 Ų | 22 | 28.9 Ų | 28.9 | 10% | 0.102 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 31.4 | -176.9 | -162.8 | -132 | 0 | 0 | 0 | 113.3 | S604 L605 L606 Y610 E611 V624 L632 | S604-H608 PolarHBondContact O-N 3.1Å; L605-H608 WeakPolarHBondContact O-CA 3.48Å; L605-H608 PolarHBondContact O-N 2.66Å; L606-H608 PolarHBondContact O-N 2.82Å; H608-Y610 VanDerWaalsContact C-N 3.25Å; H608-E611 IonicContact NE2-OE1 3.43Å; H608-V624 HydrophobicContact CB-CG2 4.22Å; H608-L632 HydrophobicContact CB-CD2 3.91Å |
| 609 | F | 94.3 | Very high | 94.9 | Very high | 55 Ų | 55 | 28.6 Ų | 28.6 | 24% | 0.241 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -74 | -23.7 | 172.5 | -67.8 | -11.7 | 0 | 0 | 0 | 112 | I315 S604 Q607 H633 | I315-F609 HydrophobicContact CD1-CB 3.46Å; I315-F609 VanDerWaalsContact CD1-CB 3.46Å; I315-F609 HydrophobicContact CD1-CD1 3.24Å; I315-F609 HydrophobicContact CD1-CD2 3.51Å; I315-F609 HydrophobicContact CD1-CE1 3.71Å; I315-F609 HydrophobicContact CD1-CE2 3.97Å; I315-F609 HydrophobicContact CD1-CG 3.12Å; I315-F609 HydrophobicContact CD1-CZ 4.05Å; S604-F609 WeakPolarHBondContact O-CB 3.28Å; S604-F609 PolarHBondContact O-N 3.36Å; Q607-F609 HydrophobicContact CB-CD1 3.88Å; Q607-F609 HydrophobicContact CB-CD2 4.08Å; Q607-F609 HydrophobicContact CB-CE1 3.89Å; Q607-F609 HydrophobicContact CB-CE2 4.06Å; Q607-F609 HydrophobicContact CB-CG 3.99Å; Q607-F609 HydrophobicContact CB-CZ 3.98Å; Q607-F609 HydrophobicContact CG-CZ 4.45Å; Q607-F609 WeakPolarHBondContact O-CD1 3.38Å; Q607-F609 PolarHBondContact O-N 2.83Å; F609-H633 AromaticContact CE1-CE1 3.55Å |
| 610 | Y | 95 | Very high | 94.9 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 7% | 0.071 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -141.1 | 160.1 | 174.6 | -51.3 | -87.6 | 0 | 0 | 0 | 109.5 | I315 D319 F565 Y567 P568 L605 H608 | I315-Y610 WeakPolarHBondContact CG2-OH 3.31Å; D319-Y610 PolarHBondContact OD2-OH 3.48Å; F565-Y610 HydrophobicContact CE2-CG 4.18Å; F565-Y610 HydrophobicContact CZ-CD1 4.14Å; F565-Y610 HydrophobicContact CZ-CD2 4.24Å; F565-Y610 AromaticContact CZ-CG 3.73Å; F565-Y610 HydrophobicContact CZ-CG 3.73Å; Y567-Y610 HydrophobicContact CD1-CD1 4.24Å; Y567-Y610 AromaticContact CD1-CE1 3.82Å; Y567-Y610 HydrophobicContact CD1-CE1 3.82Å; Y567-Y610 HydrophobicContact CD1-CE2 4.32Å; Y567-Y610 AromaticContact CD1-CZ 3.88Å; Y567-Y610 HydrophobicContact CE1-CD2 4.18Å; Y567-Y610 HydrophobicContact CE1-CE1 4.08Å; Y567-Y610 AromaticContact CE1-CE2 3.72Å; Y567-Y610 HydrophobicContact CE1-CE2 3.72Å; Y567-Y610 AromaticContact CE1-CZ 3.66Å; P568-Y610 HydrophobicContact CG-CD1 4.38Å; L605-Y610 WeakPolarHBondContact CD2-O 3.13Å; H608-Y610 VanDerWaalsContact C-N 3.25Å |
| 611 | E | 93.2 | Very high | 94.9 | Very high | 79 Ų | 79 | 30 Ų | 30 | 37% | 0.369 | 18% | 0.184 | S | C | . | . | trans | -103 | 144.2 | 171.9 | -67.7 | 179.7 | -176.8 | 0 | 0 | 110.4 | I543 F565 H608 M625 | I543-E611 HydrophobicContact CD1-CG 4.28Å; I543-E611 HydrophobicContact CG1-CG 4.22Å; I543-E611 HydrophobicContact CG2-CG 4.44Å; F565-E611 VanDerWaalsContact CD2-O 3.3Å; F565-E611 WeakPolarHBondContact CD2-O 3.48Å; F565-E611 WeakPolarHBondContact CE2-O 3.36Å; H608-E611 IonicContact NE2-OE1 3.43Å; E611-M625 WeakPolarHBondContact OE1-CE 3.43Å | ||
| 612 | A | 94 | Very high | 94.9 | Very high | 32 Ų | 32 | 31.1 Ų | 31.1 | 26% | 0.264 | 19% | 0.19 | S | C | . | . | trans | -71.3 | 149 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V563 L605 | V563-A612 HydrophobicContact CG1-CB 3.86Å; L605-A612 HydrophobicContact CD2-CB 4.46Å | ||
| 613 | N | 93.5 | Very high | 94.8 | Very high | 108 Ų | 108 | 32.4 Ų | 32.4 | 58% | 0.578 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -70.1 | -36.2 | 173 | -61.5 | 111.2 | 0 | 0 | 0 | 111.8 | S564 F565 S566 | S564-N613 WeakPolarHBondContact O-CB 3.4Å; S564-N613 PolarHBondContact O-N 3.18Å; F565-N613 VanDerWaalsContact C-OD1 3.24Å; F565-N613 WeakPolarHBondContact CA-OD1 3.38Å; S566-N613 PolarHBondContact N-OD1 3.31Å; S566-N613 PolarHBondContact OG-OD1 3.03Å |
| 614 | S | 94.7 | Very high | 94.7 | Very high | 58 Ų | 58 | 32.7 Ų | 32.7 | 41% | 0.406 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 159.6 | 175.4 | 72 | 0 | 0 | 0 | 0 | 109.9 | V563 S564 | V563-S614 WeakPolarHBondContact CA-O 3.41Å; S564-S614 VanDerWaalsContact CB-OG 3.32Å; S564-S614 WeakPolarHBondContact CB-OG 3.27Å; S564-S614 PolarHBondContact N-O 3.27Å; S564-S614 PolarHBondContact O-N 3.44Å; S564-S614 PolarHBondContact OG-OG 3.45Å |
| 615 | G | 94.5 | Very high | 94.6 | Very high | 46 Ų | 46 | 35.5 Ų | 35.5 | 47% | 0.474 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 80.7 | -176.9 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | K561 H562 | K561-G615 CarbonylContact O-C 3.5Å; K561-G615 WeakPolarHBondContact O-CA 3.19Å; H562-G615 WeakPolarHBondContact O-CA 3.25Å |
| 616 | E | 94.8 | Very high | 94.5 | Very high | 75 Ų | 75 | 40.5 Ų | 40.5 | 35% | 0.35 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 142.9 | -178 | 57.5 | 178.3 | -163 | 0 | 0 | 111.7 | K561 V563 T618 | K561-E616 HydrophobicContact CB-CG 3.97Å; K561-E616 HydrophobicContact CD-CG 4.04Å; K561-E616 VanDerWaalsContact CD-OE1 3.31Å; K561-E616 WeakPolarHBondContact CD-OE1 3.25Å; K561-E616 WeakPolarHBondContact CE-OE1 2.92Å; K561-E616 HydrophobicContact CG-CG 4.3Å; K561-E616 PolarHBondContact N-O 3.21Å; K561-E616 IonicContact NZ-OE1 3.94Å; K561-E616 PolarHBondContact NZ-OE1 3.46Å; K561-E616 PolarHBondContact O-N 3.47Å; V563-E616 WeakPolarHBondContact CG2-O 3.24Å; E616-T618 HydrophobicContact CB-CG2 4.3Å; E616-T618 HydrophobicContact CG-CG2 3.96Å |
| 617 | V | 96.3 | Very high | 94.4 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 121.9 | 168 | -175.6 | 0 | 0 | 0 | 0 | 107.1 | F560 V563 L605 L606 P623 V624 | F560-V617 HydrophobicContact CD1-CG1 4.32Å; F560-V617 HydrophobicContact CD1-CG2 3.61Å; F560-V617 HydrophobicContact CD2-CG1 4.47Å; F560-V617 HydrophobicContact CE1-CB 4.49Å; F560-V617 HydrophobicContact CE1-CG1 4Å; F560-V617 HydrophobicContact CE1-CG2 3.63Å; F560-V617 HydrophobicContact CE2-CG1 4.16Å; F560-V617 HydrophobicContact CG-CG2 4.35Å; F560-V617 HydrophobicContact CZ-CG1 3.91Å; F560-V617 HydrophobicContact CZ-CG2 4.38Å; V563-V617 HydrophobicContact CG1-CG2 4.45Å; V563-V617 HydrophobicContact CG2-CG2 3.93Å; L605-V617 HydrophobicContact CB-CG2 4.14Å; L606-V617 HydrophobicContact CB-CG1 4.33Å; L606-V617 HydrophobicContact CD1-CG1 3.78Å; V617-P623 WeakPolarHBondContact O-CA 3.35Å; V617-V624 HydrophobicContact CB-CG2 4.25Å; V617-V624 HydrophobicContact CG1-CG1 4.22Å; V617-V624 PolarHBondContact O-N 3.03Å |
| 618 | T | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 147.1 | -173.9 | 67.3 | 0 | 0 | 0 | 0 | 111.4 | E559 E616 V622 P623 | E559-T618 WeakPolarHBondContact CB-OG1 3.47Å; E559-T618 PolarHBondContact N-O 3.21Å; E559-T618 PolarHBondContact O-N 3.5Å; E559-T618 PolarHBondContact O-OG1 2.91Å; E616-T618 HydrophobicContact CB-CG2 4.3Å; E616-T618 HydrophobicContact CG-CG2 3.96Å; T618-V622 CarbonylContact C-O 3.56Å; T618-V622 WeakPolarHBondContact CA-O 3.44Å; T618-V622 WeakPolarHBondContact CB-O 3.5Å; T618-P623 HydrophobicContact CG2-CG 4.25Å |
| 619 | L | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.1 | 169.3 | -179 | 66.4 | 0 | 0 | 0 | 106.8 | V554 R557 V558 G621 V622 V624 Y627 L632 V635 V719 | V554-L619 HydrophobicContact CG1-CD1 4.27Å; V554-L619 HydrophobicContact CG1-CD2 4.03Å; V554-L619 HydrophobicContact CG1-CG 4Å; R557-L619 CarbonylContact O-C 3.49Å; R557-L619 WeakPolarHBondContact O-CA 3.37Å; V558-L619 HydrophobicContact CG2-CD1 4.09Å; L619-G621 PolarHBondContact O-N 3.5Å; L619-V622 PolarHBondContact N-O 3.28Å; L619-V622 PolarHBondContact O-N 2.96Å; L619-V624 HydrophobicContact CB-CG1 4.41Å; L619-Y627 HydrophobicContact CB-CE2 3.89Å; L619-Y627 HydrophobicContact CD2-CE1 4.09Å; L619-Y627 HydrophobicContact CD2-CE2 4.42Å; L619-Y627 PolarHBondContact O-OH 2.9Å; L619-L632 HydrophobicContact CD2-CD1 3.98Å; L619-V635 HydrophobicContact CD2-CG1 4.15Å; L619-V719 HydrophobicContact CD1-CG2 3.84Å |
| 620 | D | 94.7 | Very high | 94 | Very high | 40 Ų | 40 | 49 Ų | 49 | 21% | 0.214 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 33.2 | -172.8 | -68.2 | -12.5 | 0 | 0 | 0 | 114.1 | V554 M555 G556 R557 V622 | V554-D620 WeakPolarHBondContact CA-OD2 3.24Å; V554-D620 WeakPolarHBondContact CG1-OD2 3.43Å; M555-D620 PolarHBondContact N-OD2 3.4Å; G556-D620 PolarHBondContact N-OD1 3.28Å; G556-D620 PolarHBondContact N-OD2 2.98Å; R557-D620 WeakPolarHBondContact CB-OD1 3.38Å; R557-D620 PolarHBondContact N-OD1 3.01Å; R557-D620 PolarHBondContact O-N 3Å; D620-V622 VanDerWaalsContact C-N 3.29Å; D620-V622 PolarHBondContact O-N 3.14Å |
| 621 | G | 93.2 | Very high | 93.8 | Very high | 44 Ų | 44 | 48.6 Ų | 48.6 | 45% | 0.454 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | -2.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L619 | L619-G621 PolarHBondContact O-N 3.5Š|
| 622 | V | 94.3 | Very high | 93.9 | Very high | 29 Ų | 29 | 44.9 Ų | 44.9 | 18% | 0.176 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 130.7 | 174.6 | 178.5 | 0 | 0 | 0 | 0 | 109.4 | F549 T618 L619 D620 V624 Q626 Y627 | F549-V622 HydrophobicContact CD1-CB 4.39Å; F549-V622 HydrophobicContact CD1-CG1 3.9Å; F549-V622 HydrophobicContact CD1-CG2 4.45Å; F549-V622 HydrophobicContact CE1-CB 4.2Å; F549-V622 HydrophobicContact CE1-CG1 4.17Å; F549-V622 HydrophobicContact CE1-CG2 3.9Å; F549-V622 HydrophobicContact CG-CG1 4.37Å; F549-V622 HydrophobicContact CZ-CG2 4.09Å; T618-V622 CarbonylContact C-O 3.56Å; T618-V622 WeakPolarHBondContact CA-O 3.44Å; T618-V622 WeakPolarHBondContact CB-O 3.5Å; L619-V622 PolarHBondContact N-O 3.28Å; L619-V622 PolarHBondContact O-N 2.96Å; D620-V622 VanDerWaalsContact C-N 3.29Å; D620-V622 PolarHBondContact O-N 3.14Å; V622-V624 PolarHBondContact O-N 3.47Å; V622-Q626 HydrophobicContact CG1-CB 3.94Å; V622-Y627 HydrophobicContact CB-CE2 3.68Å; V622-Y627 HydrophobicContact CG1-CD2 4.15Å; V622-Y627 HydrophobicContact CG1-CE2 3.72Å |
| 623 | P | 94.6 | Very high | 93.8 | Very high | 28 Ų | 28 | 44.9 Ų | 44.9 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 136.5 | 176.2 | -25.6 | 34.3 | 0 | 0 | 0 | 112.5 | V617 T618 M625 Q626 | V617-P623 WeakPolarHBondContact O-CA 3.35Å; T618-P623 HydrophobicContact CG2-CG 4.25Å; P623-M625 PolarHBondContact O-N 2.81Å; P623-M625 VanDerWaalsContact O-N 3.12Å; P623-Q626 HydrophobicContact CB-CG 4.35Å; P623-Q626 WeakPolarHBondContact O-CB 3.05Å; P623-Q626 PolarHBondContact O-N 3.08Å |
| 624 | V | 93.9 | Very high | 93.7 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 5% | 0.048 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -57.8 | -30.6 | -177 | -65.6 | 0 | 0 | 0 | 0 | 113.1 | L606 H608 V617 L619 V622 Q626 Y627 L632 | L606-V624 HydrophobicContact CD1-CG1 4.15Å; H608-V624 HydrophobicContact CB-CG2 4.22Å; V617-V624 HydrophobicContact CB-CG2 4.25Å; V617-V624 HydrophobicContact CG1-CG1 4.22Å; V617-V624 PolarHBondContact O-N 3.03Å; L619-V624 HydrophobicContact CB-CG1 4.41Å; V622-V624 PolarHBondContact O-N 3.47Å; V624-Q626 PolarHBondContact O-N 3.46Å; V624-Y627 WeakPolarHBondContact O-CB 3.49Å; V624-Y627 PolarHBondContact O-N 3.35Å; V624-L632 HydrophobicContact CB-CD2 4.36Å; V624-L632 HydrophobicContact CG1-CD1 4.46Å |
| 625 | M | 91.5 | Very high | 93.6 | Very high | 80 Ų | 80 | 43.9 Ų | 43.9 | 39% | 0.394 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -62 | -25.5 | 175.7 | -171.4 | -167.3 | -173.9 | 0 | 0 | 113.4 | V546 G547 E611 P623 | V546-M625 HydrophobicContact CG2-CE 4.18Å; G547-M625 WeakPolarHBondContact CA-O 3.42Å; E611-M625 WeakPolarHBondContact OE1-CE 3.43Å; P623-M625 PolarHBondContact O-N 2.81Å; P623-M625 VanDerWaalsContact O-N 3.12Å |
| 626 | Q | 93.6 | Very high | 93.6 | Very high | 108 Ų | 108 | 41.9 Ų | 41.9 | 51% | 0.505 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -83 | -16.1 | -179.8 | -63.6 | -176.2 | 9.3 | 0 | 0 | 113 | G547 I548 F549 V622 P623 V624 | G547-Q626 CarbonylContact C-O 3.52Å; G547-Q626 VanDerWaalsContact CA-C 3.48Å; G547-Q626 WeakPolarHBondContact CA-O 3.45Å; I548-Q626 PolarHBondContact N-O 3.09Å; I548-Q626 VanDerWaalsContact N-O 3.11Å; F549-Q626 WeakPolarHBondContact CB-O 3.17Å; F549-Q626 PolarHBondContact N-O 3.23Å; V622-Q626 HydrophobicContact CG1-CB 3.94Å; P623-Q626 HydrophobicContact CB-CG 4.35Å; P623-Q626 WeakPolarHBondContact O-CB 3.05Å; P623-Q626 PolarHBondContact O-N 3.08Å; V624-Q626 PolarHBondContact O-N 3.46Å |
| 627 | Y | 94.4 | Very high | 93.5 | Very high | 8 Ų | 8 | 38.7 Ų | 38.7 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -71.2 | 142.6 | 177.3 | -79.1 | -99.7 | 0 | 0 | 0 | 111.4 | G547 F549 P551 L619 V622 V624 H629 L632 | G547-Y627 WeakPolarHBondContact CA-O 3.38Å; F549-Y627 AromaticContact CD1-CD1 3.81Å; F549-Y627 HydrophobicContact CD1-CD1 3.81Å; F549-Y627 HydrophobicContact CD1-CD2 4.22Å; F549-Y627 AromaticContact CD1-CE1 3.55Å; F549-Y627 HydrophobicContact CD1-CE1 3.55Å; F549-Y627 AromaticContact CD1-CE2 4Å; F549-Y627 HydrophobicContact CD1-CE2 4Å; F549-Y627 HydrophobicContact CD1-CG 4.14Å; F549-Y627 AromaticContact CD1-CZ 3.65Å; F549-Y627 HydrophobicContact CE1-CD1 4.44Å; F549-Y627 AromaticContact CE1-CE1 3.74Å; F549-Y627 HydrophobicContact CE1-CE1 3.74Å; F549-Y627 HydrophobicContact CE1-CE2 4.3Å; F549-Y627 AromaticContact CE1-CZ 3.64Å; F549-Y627 WeakPolarHBondContact O-CA 3.45Å; P551-Y627 HydrophobicContact CG-CE1 3.93Å; L619-Y627 HydrophobicContact CB-CE2 3.89Å; L619-Y627 HydrophobicContact CD2-CE1 4.09Å; L619-Y627 HydrophobicContact CD2-CE2 4.42Å; L619-Y627 PolarHBondContact O-OH 2.9Å; V622-Y627 HydrophobicContact CB-CE2 3.68Å; V622-Y627 HydrophobicContact CG1-CD2 4.15Å; V622-Y627 HydrophobicContact CG1-CE2 3.72Å; V624-Y627 WeakPolarHBondContact O-CB 3.49Å; V624-Y627 PolarHBondContact O-N 3.35Å; Y627-H629 PolarHBondContact O-N 3.48Å; Y627-L632 HydrophobicContact CG-CD1 4.3Å |
| 628 | D | 93.3 | Very high | 93.4 | Very high | 53 Ų | 53 | 41 Ų | 41 | 28% | 0.283 | 21% | 0.213 | S | C | . | . | trans | -58.2 | 130.1 | 162.7 | 169.7 | 77.7 | 0 | 0 | 0 | 109.4 | G547 F549 N550 K630 C631 L632 | G547-D628 WeakPolarHBondContact O-CA 3.28Å; F549-D628 PolarHBondContact O-N 2.83Å; N550-D628 HydrophobicContact CB-CB 4.44Å; D628-K630 VanDerWaalsContact C-N 3.29Å; D628-K630 PolarHBondContact O-N 3.38Å; D628-K630 WeakPolarHBondContact OD2-CB 3.42Å; D628-K630 PolarHBondContact OD2-N 3.2Å; D628-K630 VanDerWaalsContact OD2-N 3.13Å; D628-C631 HydrophobicContact CB-CB 3.98Å; D628-C631 WeakPolarHBondContact O-CA 3.17Å; D628-C631 WeakPolarHBondContact O-CB 3.49Å; D628-C631 PolarHBondContact O-N 3.48Å; D628-C631 PolarHBondContact OD2-N 3.03Å; D628-L632 PolarHBondContact O-N 3.23Å | ||
| 629 | H | 91.6 | Very high | 93.3 | Very high | 82 Ų | 82 | 41.1 Ų | 41.1 | 38% | 0.38 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -54.4 | -43.9 | -175.2 | 173.7 | 85.3 | 0 | 0 | 0 | 112.2 | D545 Y627 L632 H633 | D545-H629 HydrophobicContact CB-CB 4.4Å; D545-H629 IonicContact OD1-ND1 3.65Å; Y627-H629 PolarHBondContact O-N 3.48Å; H629-L632 PolarHBondContact O-N 3.27Å; H629-H633 AromaticContact CE1-CD2 3.2Å; H629-H633 PolarHBondContact CE1-CD2 3.17Å; H629-H633 AromaticContact CE1-NE2 3.27Å; H629-H633 PolarHBondContact CE1-NE2 2.71Å; H629-H633 VanDerWaalsContact CE1-NE2 3.27Å; H629-H633 AromaticContact CG-CD2 3.99Å; H629-H633 AromaticContact ND1-CD2 3.49Å; H629-H633 PolarHBondContact ND1-CD2 3.06Å; H629-H633 AromaticContact ND1-NE2 3.59Å; H629-H633 AromaticContact NE2-CD2 3.55Å; H629-H633 PolarHBondContact O-CD2 2.54Å; H629-H633 VanDerWaalsContact O-CD2 3.23Å; H629-H633 PolarHBondContact O-N 3.32Å; H629-H633 VanDerWaalsContact O-N 3.14Å |
| 630 | K | 90.9 | Very high | 93.1 | Very high | 122 Ų | 122 | 42.9 Ų | 42.9 | 53% | 0.53 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68 | -39.6 | 179.3 | -66.6 | -171 | 170.6 | -151.2 | 0 | 111.6 | D628 K634 E659 | D628-K630 VanDerWaalsContact C-N 3.29Å; D628-K630 PolarHBondContact O-N 3.38Å; D628-K630 WeakPolarHBondContact OD2-CB 3.42Å; D628-K630 PolarHBondContact OD2-N 3.2Å; D628-K630 VanDerWaalsContact OD2-N 3.13Å; K630-K634 WeakPolarHBondContact O-CB 3.24Å; K630-K634 PolarHBondContact O-N 3.04Å; K630-E659 IonicContact NZ-OE1 2.96Å; K630-E659 PolarHBondContact NZ-OE1 3.25Å; K630-E659 IonicContact NZ-OE2 2.66Å; K630-E659 PolarHBondContact NZ-OE2 3.37Å |
| 631 | C | 91.6 | Very high | 92.9 | Very high | 9 Ų | 9 | 44.6 Ų | 44.6 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60 | -50.6 | 174.4 | -176.8 | 0 | 0 | 0 | 0 | 111.2 | N550 D628 H633 K634 V635 | N550-C631 HydrophobicContact CB-CB 4.35Å; N550-C631 WeakPolarHBondContact OD1-CB 3.26Å; N550-C631 PolarHBondContact OD1-SG 3.33Å; D628-C631 HydrophobicContact CB-CB 3.98Å; D628-C631 WeakPolarHBondContact O-CA 3.17Å; D628-C631 WeakPolarHBondContact O-CB 3.49Å; D628-C631 PolarHBondContact O-N 3.48Å; D628-C631 PolarHBondContact OD2-N 3.03Å; C631-H633 PolarHBondContact O-N 2.86Å; C631-K634 WeakPolarHBondContact O-CB 3.26Å; C631-K634 PolarHBondContact O-N 3.46Å; C631-K634 VanDerWaalsContact O-N 3.09Å; C631-V635 WeakPolarHBondContact O-CG2 3.3Å; C631-V635 PolarHBondContact O-N 2.97Å; C631-V635 VanDerWaalsContact O-N 3.1Å |
| 632 | L | 94.2 | Very high | 92.6 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55 | -50.2 | -179.9 | -174.3 | 65.2 | 0 | 0 | 0 | 111.6 | H608 L619 V624 Y627 D628 H629 K634 V635 I636 | H608-L632 HydrophobicContact CB-CD2 3.91Å; L619-L632 HydrophobicContact CD2-CD1 3.98Å; V624-L632 HydrophobicContact CB-CD2 4.36Å; V624-L632 HydrophobicContact CG1-CD1 4.46Å; Y627-L632 HydrophobicContact CG-CD1 4.3Å; D628-L632 PolarHBondContact O-N 3.23Å; H629-L632 PolarHBondContact O-N 3.27Å; L632-K634 VanDerWaalsContact C-N 3.28Å; L632-K634 PolarHBondContact O-N 3.45Å; L632-V635 PolarHBondContact O-N 3.41Å; L632-V635 VanDerWaalsContact O-N 3.14Å; L632-I636 HydrophobicContact CD1-CD1 3.48Å; L632-I636 VanDerWaalsContact CD1-CD1 3.48Å; L632-I636 HydrophobicContact CD1-CG1 4.22Å; L632-I636 HydrophobicContact CG-CD1 3.99Å; L632-I636 WeakPolarHBondContact O-CB 3.46Å; L632-I636 WeakPolarHBondContact O-CG1 3.49Å; L632-I636 PolarHBondContact O-N 2.96Å |
| 633 | H | 93.3 | Very high | 92.3 | Very high | 31 Ų | 31 | 49.1 Ų | 49.1 | 14% | 0.144 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -79.6 | -3 | -179.2 | -69.4 | -68.2 | 0 | 0 | 0 | 115.2 | Q607 F609 H629 C631 R715 | Q607-H633 PolarHBondContact O-CE1 3.11Å; Q607-H633 VanDerWaalsContact O-CE1 3.29Å; Q607-H633 PolarHBondContact O-NE2 3.22Å; F609-H633 AromaticContact CE1-CE1 3.55Å; H629-H633 AromaticContact CE1-CD2 3.2Å; H629-H633 PolarHBondContact CE1-CD2 3.17Å; H629-H633 AromaticContact CE1-NE2 3.27Å; H629-H633 PolarHBondContact CE1-NE2 2.71Å; H629-H633 VanDerWaalsContact CE1-NE2 3.27Å; H629-H633 AromaticContact CG-CD2 3.99Å; H629-H633 AromaticContact ND1-CD2 3.49Å; H629-H633 PolarHBondContact ND1-CD2 3.06Å; H629-H633 AromaticContact ND1-NE2 3.59Å; H629-H633 AromaticContact NE2-CD2 3.55Å; H629-H633 PolarHBondContact O-CD2 2.54Å; H629-H633 VanDerWaalsContact O-CD2 3.23Å; H629-H633 PolarHBondContact O-N 3.32Å; H629-H633 VanDerWaalsContact O-N 3.14Å; C631-H633 PolarHBondContact O-N 2.86Å; H633-R715 PolarHBondContact O-NH1 2.87Å |
| 634 | K | 90.2 | Very high | 92 | Very high | 128 Ų | 128 | 51.5 Ų | 51.5 | 56% | 0.557 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -84.8 | -33.9 | 164.4 | -175.8 | 179.1 | 177.9 | -178.4 | 0 | 111 | K630 C631 L632 | K630-K634 WeakPolarHBondContact O-CB 3.24Å; K630-K634 PolarHBondContact O-N 3.04Å; C631-K634 WeakPolarHBondContact O-CB 3.26Å; C631-K634 PolarHBondContact O-N 3.46Å; C631-K634 VanDerWaalsContact O-N 3.09Å; L632-K634 VanDerWaalsContact C-N 3.28Å; L632-K634 PolarHBondContact O-N 3.45Å |
| 635 | V | 92.2 | Very high | 91.9 | Very high | 18 Ų | 18 | 51.2 Ų | 51.2 | 11% | 0.109 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -83.5 | -36.4 | -178.6 | 175.9 | 0 | 0 | 0 | 0 | 111.8 | V554 L619 C631 L632 P717 K718 V719 | V554-V635 HydrophobicContact CB-CG1 3.95Å; V554-V635 HydrophobicContact CB-CG2 4.41Å; V554-V635 HydrophobicContact CG1-CG1 3.88Å; V554-V635 HydrophobicContact CG2-CG1 4.16Å; V554-V635 HydrophobicContact CG2-CG2 3.87Å; L619-V635 HydrophobicContact CD2-CG1 4.15Å; C631-V635 WeakPolarHBondContact O-CG2 3.3Å; C631-V635 PolarHBondContact O-N 2.97Å; C631-V635 VanDerWaalsContact O-N 3.1Å; L632-V635 PolarHBondContact O-N 3.41Å; L632-V635 VanDerWaalsContact O-N 3.14Å; V635-P717 CarbonylContact O-C 3.53Å; V635-P717 WeakPolarHBondContact O-CA 3.47Å; V635-P717 WeakPolarHBondContact O-CB 3.27Å; V635-K718 HydrophobicContact CG1-CB 3.97Å; V635-K718 PolarHBondContact O-N 3.47Å; V635-V719 PolarHBondContact O-N 3.09Å |
| 636 | I | 94.5 | Very high | 92 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 130.6 | 179.9 | -55.4 | -178.3 | 0 | 0 | 0 | 109.8 | L606 Q607 L632 V719 L721 | L606-I636 HydrophobicContact CD1-CD1 4.41Å; L606-I636 HydrophobicContact CG-CD1 4.17Å; Q607-I636 HydrophobicContact CG-CG2 4.2Å; L632-I636 HydrophobicContact CD1-CD1 3.48Å; L632-I636 VanDerWaalsContact CD1-CD1 3.48Å; L632-I636 HydrophobicContact CD1-CG1 4.22Å; L632-I636 HydrophobicContact CG-CD1 3.99Å; L632-I636 WeakPolarHBondContact O-CB 3.46Å; L632-I636 WeakPolarHBondContact O-CG1 3.49Å; L632-I636 PolarHBondContact O-N 2.96Å; I636-V719 WeakPolarHBondContact CA-O 3.41Å; I636-V719 HydrophobicContact CG1-CB 4.13Å; I636-L721 HydrophobicContact CG2-CD1 3.46Å; I636-L721 VanDerWaalsContact CG2-CD1 3.46Å; I636-L721 HydrophobicContact CG2-CG 3.79Å |
| 637 | A | 93.8 | Very high | 91.9 | Very high | 8 Ų | 8 | 49.7 Ų | 49.7 | 7% | 0.066 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 140.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A712 P717 V719 L720 L721 | A637-A712 HydrophobicContact CB-CB 3.83Å; A637-P717 HydrophobicContact CB-CB 3.7Å; A637-P717 HydrophobicContact CB-CG 3.69Å; A637-V719 PolarHBondContact N-O 3.23Å; A637-L720 HydrophobicContact CB-CD1 4.27Å; A637-L721 PolarHBondContact O-N 3.44Å |
| 638 | L | 94.2 | Very high | 91.8 | Very high | 61 Ų | 61 | 55 Ų | 55 | 32% | 0.319 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 134.6 | 178.2 | 177.4 | 69.9 | 0 | 0 | 0 | 111.1 | I603 L721 D723 | I603-L638 HydrophobicContact CG2-CD1 3.57Å; L638-L721 CarbonylContact C-O 3.51Å; L638-L721 WeakPolarHBondContact CA-O 3.4Å; L638-L721 HydrophobicContact CD1-CB 3.84Å; L638-D723 HydrophobicContact CD1-CB 4.46Å |
| 639 | V | 93.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 108.4 | 161.8 | -176.7 | 0 | 0 | 0 | 0 | 107.5 | Q705 A708 I709 A712 L720 L721 L722 D723 A725 | V639-Q705 VanDerWaalsContact CG1-NE2 3.32Å; V639-A708 HydrophobicContact CG1-CB 4.26Å; V639-I709 HydrophobicContact CG1-CG1 4.01Å; V639-I709 HydrophobicContact CG2-CG1 4.17Å; V639-A712 HydrophobicContact CG2-CB 3.81Å; V639-L720 HydrophobicContact CG2-CD1 4.45Å; V639-L721 PolarHBondContact N-O 3.31Å; V639-L722 HydrophobicContact CB-CD2 3.67Å; V639-L722 HydrophobicContact CG1-CD2 4.45Å; V639-L722 HydrophobicContact CG2-CD2 3.73Å; V639-D723 PolarHBondContact O-N 3.37Å; V639-A725 HydrophobicContact CG1-CB 4.15Å |
| 640 | S | 92.4 | Very high | 92 | Very high | 38 Ų | 38 | 49 Ų | 49 | 27% | 0.266 | 25% | 0.248 | S | C | . | . | trans | -81.1 | 163.3 | -178.8 | 58.2 | 0 | 0 | 0 | 0 | 112.7 | E642 P643 Q705 D723 | S640-E642 PolarHBondContact OG-O 2.8Å; S640-P643 WeakPolarHBondContact OG-CA 3.28Å; S640-Q705 PolarHBondContact O-NE2 3.11Å; S640-D723 CarbonylContact C-O 3.43Å | ||
| 641 | Q | 89.6 | Confident | 92.1 | Very high | 75 Ų | 75 | 47 Ų | 47 | 35% | 0.35 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -59.5 | -47 | 176.7 | -177.6 | 174 | 23.9 | 0 | 0 | 111.8 | P643 D723 E724 S727 | Q641-P643 WeakPolarHBondContact O-CD 3.29Å; Q641-D723 WeakPolarHBondContact CA-O 3.13Å; Q641-D723 WeakPolarHBondContact CB-O 3.4Å; Q641-D723 PolarHBondContact N-O 2.81Å; Q641-E724 HydrophobicContact CB-CB 4.14Å; Q641-E724 HydrophobicContact CG-CB 3.98Å; Q641-E724 PolarHBondContact NE2-OE2 3.3Å; Q641-S727 PolarHBondContact NE2-OG 2.76Å |
| 642 | E | 86.3 | Confident | 92.1 | Very high | 158 Ų | 158 | 49.9 Ų | 49.9 | 74% | 0.738 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -111.6 | 92.5 | 171.5 | -66.9 | -170.5 | 168.3 | 0 | 0 | 109.2 | S640 V644 | S640-E642 PolarHBondContact OG-O 2.8Å; E642-V644 PolarHBondContact O-N 3.45Å |
| 643 | P | 88.1 | Confident | 92.1 | Very high | 11 Ų | 11 | 49.9 Ų | 49.9 | 7% | 0.071 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -70.3 | 126.9 | 179.2 | 27.1 | -35.2 | 0 | 0 | 0 | 110.7 | S640 Q641 K704 A708 | S640-P643 WeakPolarHBondContact OG-CA 3.28Å; Q641-P643 WeakPolarHBondContact O-CD 3.29Å; P643-K704 HydrophobicContact CG-CB 4Å; P643-A708 HydrophobicContact CB-CB 3.46Å; P643-A708 VanDerWaalsContact CB-CB 3.46Å; P643-A708 HydrophobicContact CG-CB 4.15Å |
| 644 | V | 89.8 | Confident | 92.2 | Very high | 78 Ų | 78 | 48.4 Ų | 48.4 | 47% | 0.473 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -93.7 | 124.4 | 174.2 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | E642 K695 R711 | E642-V644 PolarHBondContact O-N 3.45Å; V644-K695 HydrophobicContact CG1-CB 4.38Å; V644-K695 HydrophobicContact CG1-CG 4.04Å; V644-R711 PolarHBondContact O-NH1 3.41Å |
| 645 | L | 92.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -98.8 | 143.7 | 170.6 | -53.2 | -178.4 | 0 | 0 | 0 | 110 | N653 V692 K695 L699 K704 L707 | L645-N653 WeakPolarHBondContact CA-OD1 3.18Å; L645-V692 HydrophobicContact CB-CG2 3.88Å; L645-V692 HydrophobicContact CD1-CB 4.38Å; L645-V692 HydrophobicContact CD1-CG1 4.37Å; L645-V692 HydrophobicContact CD1-CG2 4.24Å; L645-K695 CarbonylContact O-C 3.59Å; L645-K695 WeakPolarHBondContact O-CA 3.44Å; L645-K695 PolarHBondContact O-N 2.66Å; L645-L699 HydrophobicContact CD1-CD1 3.7Å; L645-K704 HydrophobicContact CD1-CB 4.44Å; L645-K704 HydrophobicContact CD1-CG 4.01Å; L645-L707 HydrophobicContact CD1-CB 4.44Å; L645-L707 HydrophobicContact CD1-CD1 3.79Å; L645-L707 HydrophobicContact CD2-CB 4.29Å |
| 646 | F | 91.9 | Very high | 92.3 | Very high | 83 Ų | 83 | 45.8 Ų | 45.8 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -80.8 | 152 | 174.9 | -66 | -78.9 | 0 | 0 | 0 | 110.1 | R648 N653 Y656 V692 | F646-R648 HydrophobicContact CB-CG 4.27Å; F646-R648 PolarHBondContact O-N 3.35Å; F646-N653 PolarHBondContact N-OD1 2.82Å; F646-N653 PolarHBondContact O-ND2 3.05Å; F646-Y656 AromaticContact CD2-CD2 3.91Å; F646-Y656 HydrophobicContact CD2-CD2 3.91Å; F646-Y656 AromaticContact CD2-CE2 3.76Å; F646-Y656 HydrophobicContact CD2-CE2 3.76Å; F646-Y656 HydrophobicContact CD2-CG 4.37Å; F646-Y656 HydrophobicContact CE2-CD1 4.1Å; F646-Y656 AromaticContact CE2-CD2 3.93Å; F646-Y656 HydrophobicContact CE2-CD2 3.93Å; F646-Y656 AromaticContact CE2-CE1 3.67Å; F646-Y656 HydrophobicContact CE2-CE1 3.67Å; F646-Y656 AromaticContact CE2-CE2 3.47Å; F646-Y656 HydrophobicContact CE2-CE2 3.47Å; F646-Y656 VanDerWaalsContact CE2-CE2 3.47Å; F646-Y656 HydrophobicContact CE2-CG 4.22Å; F646-Y656 AromaticContact CE2-CZ 3.33Å; F646-Y656 HydrophobicContact CZ-CE1 4.28Å; F646-Y656 HydrophobicContact CZ-CE2 4.08Å; F646-Y656 AromaticContact CZ-CZ 3.72Å; F646-V692 VanDerWaalsContact O-CG2 3.24Å; F646-V692 WeakPolarHBondContact O-CG2 3.34Å |
| 647 | A | 92.5 | Very high | 91.9 | Very high | 72 Ų | 72 | 47.9 Ų | 47.9 | 60% | 0.595 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -69.1 | 73.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G693 | A647-G693 WeakPolarHBondContact CA-O 3.42Š|
| 648 | R | 93 | Very high | 91.5 | Very high | 121 Ų | 121 | 52 Ų | 52 | 46% | 0.457 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -149.6 | 173.9 | -173 | -67.7 | -171.3 | -172.3 | -177.5 | 0.5 | 109.3 | F646 E652 N653 V692 | F646-R648 HydrophobicContact CB-CG 4.27Å; F646-R648 PolarHBondContact O-N 3.35Å; R648-E652 HydrophobicContact CB-CB 4.05Å; R648-E652 WeakPolarHBondContact CB-OE2 3.14Å; R648-N653 PolarHBondContact O-ND2 3.24Å; R648-V692 PolarHBondContact O-N 3.12Å |
| 649 | S | 93.3 | Very high | 90.5 | Very high | 8 Ų | 8 | 55.8 Ų | 55.8 | 6% | 0.056 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -61.1 | 155.8 | 173.8 | 65.9 | 0 | 0 | 0 | 0 | 112.1 | R651 E652 N653 T690 | S649-R651 PolarHBondContact O-N 3.11Å; S649-E652 PolarHBondContact O-N 3.31Å; S649-E652 WeakPolarHBondContact OG-CB 3.04Å; S649-E652 VanDerWaalsContact OG-CG 3.28Å; S649-E652 WeakPolarHBondContact OG-CG 3.25Å; S649-E652 PolarHBondContact OG-N 2.9Å; S649-E652 PolarHBondContact OG-OE1 3.46Å; S649-N653 PolarHBondContact O-N 2.93Å; S649-N653 PolarHBondContact O-ND2 3.36Å; S649-T690 CarbonylContact C-O 3.43Å; S649-T690 WeakPolarHBondContact CA-O 3.34Å |
| 650 | I | 94.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.5 | -42.5 | 172.8 | -68.9 | 171.3 | 0 | 0 | 0 | 110.2 | E652 N653 I654 V681 F684 Y688 T690 V692 L707 | I650-E652 PolarHBondContact O-N 2.98Å; I650-N653 WeakPolarHBondContact O-CB 3.23Å; I650-N653 PolarHBondContact O-N 3.5Å; I650-I654 HydrophobicContact CG2-CD1 3.87Å; I650-I654 HydrophobicContact CG2-CG1 4.42Å; I650-I654 WeakPolarHBondContact O-CG1 3.24Å; I650-I654 PolarHBondContact O-N 3.21Å; I650-V681 HydrophobicContact CD1-CG1 4.09Å; I650-V681 HydrophobicContact CD1-CG2 4.19Å; I650-V681 HydrophobicContact CG2-CG1 4Å; I650-V681 HydrophobicContact CG2-CG2 4.03Å; I650-F684 HydrophobicContact CD1-CD2 3.73Å; I650-F684 HydrophobicContact CD1-CE2 3.8Å; I650-Y688 HydrophobicContact CG2-CD1 4.29Å; I650-Y688 PolarHBondContact N-O 2.9Å; I650-T690 PolarHBondContact N-O 2.7Å; I650-V692 HydrophobicContact CD1-CG1 4.33Å; I650-V692 HydrophobicContact CG1-CG1 3.44Å; I650-V692 VanDerWaalsContact CG1-CG1 3.44Å; I650-L707 HydrophobicContact CG1-CD1 4.27Å; I650-L707 HydrophobicContact CG2-CD1 4.19Å; I650-L707 HydrophobicContact CG2-CD2 3.66Å |
| 651 | R | 93.6 | Very high | 87.7 | Confident | 79 Ų | 79 | 61.5 Ų | 61.5 | 30% | 0.298 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -53.8 | -51.6 | 175.3 | -179.7 | 176.1 | 59.5 | 170.4 | -0.8 | 112.4 | S649 N653 I654 A655 I663 T668 Y688 N689 | S649-R651 PolarHBondContact O-N 3.11Å; R651-N653 VanDerWaalsContact C-N 3.29Å; R651-N653 PolarHBondContact O-N 3.47Å; R651-I654 PolarHBondContact O-N 2.84Å; R651-A655 PolarHBondContact O-N 3.42Å; R651-I663 HydrophobicContact CG-CG2 3.73Å; R651-T668 HydrophobicContact CB-CG2 4.41Å; R651-T668 HydrophobicContact CG-CG2 4.18Å; R651-Y688 PolarHBondContact N-O 3.12Å; R651-N689 PolarHBondContact NH2-OD1 3.03Å |
| 652 | E | 92.2 | Very high | 86.7 | Confident | 71 Ų | 71 | 65.8 Ų | 65.8 | 33% | 0.332 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.5 | -30.6 | 179.5 | -75.7 | 158.3 | -131 | 0 | 0 | 112.9 | R648 S649 I650 Y656 | R648-E652 HydrophobicContact CB-CB 4.05Å; R648-E652 WeakPolarHBondContact CB-OE2 3.14Å; S649-E652 PolarHBondContact O-N 3.31Å; S649-E652 WeakPolarHBondContact OG-CB 3.04Å; S649-E652 VanDerWaalsContact OG-CG 3.28Å; S649-E652 WeakPolarHBondContact OG-CG 3.25Å; S649-E652 PolarHBondContact OG-N 2.9Å; S649-E652 PolarHBondContact OG-OE1 3.46Å; I650-E652 PolarHBondContact O-N 2.98Å; E652-Y656 PolarHBondContact O-N 2.83Å; E652-Y656 VanDerWaalsContact O-N 3.14Å |
| 653 | N | 93.9 | Very high | 86 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.4 | -38.2 | 174.6 | -90 | -78.2 | 0 | 0 | 0 | 112.3 | L645 F646 R648 S649 I650 R651 Y656 R711 | L645-N653 WeakPolarHBondContact CA-OD1 3.18Å; F646-N653 PolarHBondContact N-OD1 2.82Å; F646-N653 PolarHBondContact O-ND2 3.05Å; R648-N653 PolarHBondContact O-ND2 3.24Å; S649-N653 PolarHBondContact O-N 2.93Å; S649-N653 PolarHBondContact O-ND2 3.36Å; I650-N653 WeakPolarHBondContact O-CB 3.23Å; I650-N653 PolarHBondContact O-N 3.5Å; R651-N653 VanDerWaalsContact C-N 3.29Å; R651-N653 PolarHBondContact O-N 3.47Å; N653-Y656 WeakPolarHBondContact O-CB 3.26Å; N653-R711 PolarHBondContact O-NE 3.01Å; N653-R711 PolarHBondContact O-NH2 3.42Å; N653-R711 PolarHBondContact OD1-NH2 3.25Å |
| 654 | I | 94.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.8 | -45.9 | 176 | -67.5 | 170.1 | 0 | 0 | 0 | 110 | I650 R651 Y656 T668 A671 A672 Y688 L707 A710 R711 F714 | I650-I654 HydrophobicContact CG2-CD1 3.87Å; I650-I654 HydrophobicContact CG2-CG1 4.42Å; I650-I654 WeakPolarHBondContact O-CG1 3.24Å; I650-I654 PolarHBondContact O-N 3.21Å; R651-I654 PolarHBondContact O-N 2.84Å; I654-Y656 PolarHBondContact O-N 3.4Å; I654-T668 HydrophobicContact CB-CG2 4.04Å; I654-T668 HydrophobicContact CD1-CG2 3.8Å; I654-T668 HydrophobicContact CG2-CG2 4.02Å; I654-A671 HydrophobicContact CG2-CB 4.18Å; I654-A672 HydrophobicContact CD1-CB 4.17Å; I654-Y688 HydrophobicContact CD1-CD1 4.41Å; I654-Y688 HydrophobicContact CD1-CE1 4.19Å; I654-L707 HydrophobicContact CD1-CD2 4.03Å; I654-L707 HydrophobicContact CG1-CD2 4.23Å; I654-A710 HydrophobicContact CD1-CB 4.25Å; I654-A710 HydrophobicContact CG1-CB 4.07Å; I654-A710 HydrophobicContact CG2-CB 4.28Å; I654-R711 WeakPolarHBondContact O-CA 3.24Å; I654-F714 HydrophobicContact CG2-CB 4.02Å; I654-F714 HydrophobicContact CG2-CD2 3.86Å; I654-F714 HydrophobicContact CG2-CG 4.07Å |
| 655 | A | 92.9 | Very high | 85.4 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 4% | 0.041 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 9.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R651 G657 Y658 I663 F714 | R651-A655 PolarHBondContact O-N 3.42Å; A655-G657 PolarHBondContact O-N 3.41Å; A655-Y658 WeakPolarHBondContact O-CB 3.31Å; A655-Y658 PolarHBondContact O-N 3.42Å; A655-I663 HydrophobicContact CB-CB 4.36Å; A655-I663 HydrophobicContact CB-CD1 3.84Å; A655-I663 HydrophobicContact CB-CG1 3.86Å; A655-I663 HydrophobicContact CB-CG2 3.56Å; A655-F714 HydrophobicContact CB-CD1 4.4Å; A655-F714 HydrophobicContact CB-CE1 3.79Å; A655-F714 HydrophobicContact CB-CZ 3.92Å |
| 656 | Y | 91.7 | Very high | 85.2 | Confident | 86 Ų | 86 | 67 Ų | 67 | 34% | 0.337 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 127 | -174.5 | -177 | -101.7 | 0 | 0 | 0 | 111.3 | F646 E652 N653 I654 Y658 R715 | F646-Y656 AromaticContact CD2-CD2 3.91Å; F646-Y656 HydrophobicContact CD2-CD2 3.91Å; F646-Y656 AromaticContact CD2-CE2 3.76Å; F646-Y656 HydrophobicContact CD2-CE2 3.76Å; F646-Y656 HydrophobicContact CD2-CG 4.37Å; F646-Y656 HydrophobicContact CE2-CD1 4.1Å; F646-Y656 AromaticContact CE2-CD2 3.93Å; F646-Y656 HydrophobicContact CE2-CD2 3.93Å; F646-Y656 AromaticContact CE2-CE1 3.67Å; F646-Y656 HydrophobicContact CE2-CE1 3.67Å; F646-Y656 AromaticContact CE2-CE2 3.47Å; F646-Y656 HydrophobicContact CE2-CE2 3.47Å; F646-Y656 VanDerWaalsContact CE2-CE2 3.47Å; F646-Y656 HydrophobicContact CE2-CG 4.22Å; F646-Y656 AromaticContact CE2-CZ 3.33Å; F646-Y656 HydrophobicContact CZ-CE1 4.28Å; F646-Y656 HydrophobicContact CZ-CE2 4.08Å; F646-Y656 AromaticContact CZ-CZ 3.72Å; E652-Y656 PolarHBondContact O-N 2.83Å; E652-Y656 VanDerWaalsContact O-N 3.14Å; N653-Y656 WeakPolarHBondContact O-CB 3.26Å; I654-Y656 PolarHBondContact O-N 3.4Å; Y656-Y658 VanDerWaalsContact C-N 3.31Å; Y656-Y658 PolarHBondContact O-N 3.31Å; Y656-R715 VanDerWaalsContact O-CZ 3.28Å; Y656-R715 PolarHBondContact O-NE 3.39Å; Y656-R715 PolarHBondContact O-NH2 3.19Å |
| 657 | G | 87.3 | Confident | 85.1 | Confident | 48 Ų | 48 | 66.7 Ų | 66.7 | 50% | 0.495 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 13.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | A655 | A655-G657 PolarHBondContact O-N 3.41Š|
| 658 | Y | 84.6 | Confident | 85 | Confident | 94 Ų | 94 | 63.2 Ų | 63.2 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | trans | -84.9 | 111.7 | 167.1 | -174 | -98.7 | 0 | 0 | 0 | 109.8 | A655 Y656 N660 F714 | A655-Y658 WeakPolarHBondContact O-CB 3.31Å; A655-Y658 PolarHBondContact O-N 3.42Å; Y656-Y658 VanDerWaalsContact C-N 3.31Å; Y656-Y658 PolarHBondContact O-N 3.31Å; Y658-N660 HydrophobicContact CE1-CB 4.19Å; Y658-N660 WeakPolarHBondContact CE1-O 3.32Å; Y658-N660 HydrophobicContact CE2-CB 4.5Å; Y658-N660 PolarHBondContact OH-O 3.12Å; Y658-F714 AromaticContact CD1-CE1 3.99Å; Y658-F714 HydrophobicContact CD1-CE1 3.99Å; Y658-F714 HydrophobicContact CD2-CD1 4.25Å; Y658-F714 AromaticContact CD2-CE1 3.81Å; Y658-F714 HydrophobicContact CD2-CE1 3.81Å; Y658-F714 HydrophobicContact CE2-CE1 4.44Å; Y658-F714 HydrophobicContact CG-CD1 4.29Å; Y658-F714 AromaticContact CG-CE1 3.56Å; Y658-F714 HydrophobicContact CG-CE1 3.56Å | ||
| 659 | E | 73.6 | Confident | 85 | Confident | 140 Ų | 140 | 60.5 Ų | 60.5 | 65% | 0.654 | 33% | 0.325 | S | S | * | . | trans | -89.8 | -17.7 | -176.2 | -65.1 | -176.1 | 166.3 | 0 | 0 | 113.5 | K630 G661 | K630-E659 IonicContact NZ-OE1 2.96Å; K630-E659 PolarHBondContact NZ-OE1 3.25Å; K630-E659 IonicContact NZ-OE2 2.66Å; K630-E659 PolarHBondContact NZ-OE2 3.37Å; E659-G661 PolarHBondContact O-N 3.08Å; E659-G661 VanDerWaalsContact O-N 3.16Å | ||
| 660 | N | 65.3 | Low | 85 | Confident | 109 Ų | 109 | 63.1 Ų | 63.1 | 58% | 0.583 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -92.6 | 59.7 | -164.2 | -74.7 | 4.1 | 0 | 0 | 0 | 115.1 | Y658 | Y658-N660 HydrophobicContact CE1-CB 4.19Å; Y658-N660 WeakPolarHBondContact CE1-O 3.32Å; Y658-N660 HydrophobicContact CE2-CB 4.5Å; Y658-N660 PolarHBondContact OH-O 3.12Å |
| 661 | G | 62.1 | Low | 84.8 | Confident | 51 Ų | 51 | 63.3 Ų | 63.3 | 53% | 0.526 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 110.8 | -176.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | E659 I663 | E659-G661 PolarHBondContact O-N 3.08Å; E659-G661 VanDerWaalsContact O-N 3.16Å; G661-I663 PolarHBondContact O-N 3.48Å |
| 662 | D | 68 | Low | 84.8 | Confident | 164 Ų | 164 | 59.6 Ų | 59.6 | 88% | 0.877 | 33% | 0.328 | S | S | * | . | trans | -57.1 | 133.3 | -179.3 | -74.5 | -33.5 | 0 | 0 | 0 | 110.8 | D664 | D662-D664 VanDerWaalsContact C-N 3.27Å; D662-D664 PolarHBondContact O-N 3.14Å | ||
| 663 | I | 71.3 | Confident | 84.9 | Confident | 62 Ų | 62 | 60.8 Ų | 60.8 | 32% | 0.318 | 33% | 0.334 | S | S | . | . | trans | -69.1 | 88.8 | 176.8 | -56.6 | 166.7 | 0 | 0 | 0 | 107.9 | R651 A655 G661 L665 | R651-I663 HydrophobicContact CG-CG2 3.73Å; A655-I663 HydrophobicContact CB-CB 4.36Å; A655-I663 HydrophobicContact CB-CD1 3.84Å; A655-I663 HydrophobicContact CB-CG1 3.86Å; A655-I663 HydrophobicContact CB-CG2 3.56Å; G661-I663 PolarHBondContact O-N 3.48Å; I663-L665 PolarHBondContact O-N 2.81Å | ||
| 664 | D | 82.4 | Confident | 84.8 | Confident | 82 Ų | 82 | 64.4 Ų | 64.4 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | trans | -64.2 | 129.6 | 175 | -172.8 | 4.3 | 0 | 0 | 0 | 109.7 | D662 S666 N667 T668 | D662-D664 VanDerWaalsContact C-N 3.27Å; D662-D664 PolarHBondContact O-N 3.14Å; D664-S666 PolarHBondContact O-N 3.37Å; D664-S666 PolarHBondContact OD1-N 2.9Å; D664-S666 VanDerWaalsContact OD1-N 3.08Å; D664-S666 WeakPolarHBondContact OD2-CB 3.24Å; D664-N667 PolarHBondContact O-N 3.07Å; D664-T668 PolarHBondContact O-N 2.75Å; D664-T668 PolarHBondContact O-OG1 2.87Å | ||
| 665 | L | 83.9 | Confident | 84.7 | Confident | 72 Ų | 72 | 64.4 Ų | 64.4 | 38% | 0.377 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.3 | -34.3 | 176.2 | -173.7 | 69.2 | 0 | 0 | 0 | 110.5 | I663 T668 Q669 Y688 | I663-L665 PolarHBondContact O-N 2.81Å; L665-T668 WeakPolarHBondContact O-CB 3.46Å; L665-T668 PolarHBondContact O-N 2.8Å; L665-Q669 HydrophobicContact CG-CG 4.38Å; L665-Q669 WeakPolarHBondContact O-CB 3.41Å; L665-Q669 VanDerWaalsContact O-CG 3.3Å; L665-Q669 WeakPolarHBondContact O-CG 3.15Å; L665-Q669 PolarHBondContact O-N 3.19Å; L665-Y688 HydrophobicContact CD1-CD2 4.16Å; L665-Y688 HydrophobicContact CD1-CG 4.12Å |
| 666 | S | 88.1 | Confident | 84.7 | Confident | 58 Ų | 58 | 66.3 Ų | 66.3 | 41% | 0.406 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62 | -46.5 | 179.4 | -176.1 | 0 | 0 | 0 | 0 | 112.7 | D664 T668 Q669 T670 | D664-S666 PolarHBondContact O-N 3.37Å; D664-S666 PolarHBondContact OD1-N 2.9Å; D664-S666 VanDerWaalsContact OD1-N 3.08Å; D664-S666 WeakPolarHBondContact OD2-CB 3.24Å; S666-T668 VanDerWaalsContact C-N 3.31Å; S666-T668 PolarHBondContact O-N 2.91Å; S666-Q669 PolarHBondContact O-N 3.39Å; S666-T670 PolarHBondContact O-N 3.34Å; S666-T670 PolarHBondContact O-OG1 2.87Å |
| 667 | N | 88.6 | Confident | 84.7 | Confident | 77 Ų | 77 | 62.2 Ų | 62.2 | 41% | 0.412 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.1 | -38.4 | 176.7 | -72 | -27 | 0 | 0 | 0 | 111.5 | D664 T670 A671 F714 | D664-N667 PolarHBondContact O-N 3.07Å; N667-T670 PolarHBondContact O-N 2.81Å; N667-A671 PolarHBondContact O-N 3.4Å; N667-F714 HydrophobicContact CB-CE2 3.76Å; N667-F714 HydrophobicContact CB-CZ 4.31Å |
| 668 | T | 90.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 177.4 | -52.1 | 0 | 0 | 0 | 0 | 110.9 | R651 I654 D664 L665 S666 A672 Y688 | R651-T668 HydrophobicContact CB-CG2 4.41Å; R651-T668 HydrophobicContact CG-CG2 4.18Å; I654-T668 HydrophobicContact CB-CG2 4.04Å; I654-T668 HydrophobicContact CD1-CG2 3.8Å; I654-T668 HydrophobicContact CG2-CG2 4.02Å; D664-T668 PolarHBondContact O-N 2.75Å; D664-T668 PolarHBondContact O-OG1 2.87Å; L665-T668 WeakPolarHBondContact O-CB 3.46Å; L665-T668 PolarHBondContact O-N 2.8Å; S666-T668 VanDerWaalsContact C-N 3.31Å; S666-T668 PolarHBondContact O-N 2.91Å; T668-A672 WeakPolarHBondContact O-CB 3.45Å; T668-A672 PolarHBondContact O-N 2.92Å; T668-Y688 HydrophobicContact CG2-CD1 3.74Å; T668-Y688 HydrophobicContact CG2-CE1 3.94Å |
| 669 | Q | 93.4 | Very high | 85.4 | Confident | 63 Ų | 63 | 62.1 Ų | 62.1 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 176 | -76.9 | 175.9 | -6 | 0 | 0 | 111.8 | L665 S666 A671 A672 Q673 Y688 | L665-Q669 HydrophobicContact CG-CG 4.38Å; L665-Q669 WeakPolarHBondContact O-CB 3.41Å; L665-Q669 VanDerWaalsContact O-CG 3.3Å; L665-Q669 WeakPolarHBondContact O-CG 3.15Å; L665-Q669 PolarHBondContact O-N 3.19Å; S666-Q669 PolarHBondContact O-N 3.39Å; Q669-A671 PolarHBondContact O-N 3.21Å; Q669-A672 CarbonylContact O-C 3.58Å; Q669-A672 PolarHBondContact O-N 3.44Å; Q669-Q673 WeakPolarHBondContact O-CB 3.16Å; Q669-Q673 VanDerWaalsContact O-CG 3.28Å; Q669-Q673 WeakPolarHBondContact O-CG 3.3Å; Q669-Q673 PolarHBondContact O-N 3.5Å; Q669-Y688 WeakPolarHBondContact CA-OH 3.35Å; Q669-Y688 HydrophobicContact CG-CD2 4.31Å; Q669-Y688 HydrophobicContact CG-CE1 4.5Å; Q669-Y688 HydrophobicContact CG-CE2 3.54Å |
| 670 | T | 91.8 | Very high | 86.3 | Confident | 64 Ų | 64 | 56.2 Ų | 56.2 | 39% | 0.393 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.2 | -51.6 | 176.1 | -54.7 | 0 | 0 | 0 | 0 | 110.7 | S666 N667 A672 Q673 L674 | S666-T670 PolarHBondContact O-N 3.34Å; S666-T670 PolarHBondContact O-OG1 2.87Å; N667-T670 PolarHBondContact O-N 2.81Å; T670-A672 VanDerWaalsContact C-N 3.3Å; T670-A672 PolarHBondContact O-N 2.82Å; T670-Q673 WeakPolarHBondContact O-CB 3.29Å; T670-Q673 PolarHBondContact O-N 3Å; T670-Q673 VanDerWaalsContact O-N 3.12Å; T670-L674 HydrophobicContact CG2-CD1 4.49Å; T670-L674 WeakPolarHBondContact O-CG 3.36Å; T670-L674 PolarHBondContact O-N 3.18Å |
| 671 | A | 92 | Very high | 87.7 | Confident | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.033 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.4 | -38 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I654 N667 Q669 A675 F714 | I654-A671 HydrophobicContact CG2-CB 4.18Å; N667-A671 PolarHBondContact O-N 3.4Å; Q669-A671 PolarHBondContact O-N 3.21Å; A671-A675 WeakPolarHBondContact O-CB 3.3Å; A671-A675 PolarHBondContact O-N 3.19Å; A671-A675 VanDerWaalsContact O-N 3.09Å; A671-F714 HydrophobicContact CB-CB 3.95Å; A671-F714 HydrophobicContact CB-CD2 3.85Å; A671-F714 HydrophobicContact CB-CG 4.42Å |
| 672 | A | 93.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.5 | -31.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I654 T668 Q669 T670 N676 A677 H678 Y688 | I654-A672 HydrophobicContact CD1-CB 4.17Å; T668-A672 WeakPolarHBondContact O-CB 3.45Å; T668-A672 PolarHBondContact O-N 2.92Å; Q669-A672 CarbonylContact O-C 3.58Å; Q669-A672 PolarHBondContact O-N 3.44Å; T670-A672 VanDerWaalsContact C-N 3.3Å; T670-A672 PolarHBondContact O-N 2.82Å; A672-N676 PolarHBondContact O-N 3Å; A672-A677 HydrophobicContact CB-CB 4.19Å; A672-A677 WeakPolarHBondContact O-CA 3.14Å; A672-A677 WeakPolarHBondContact O-CB 3.32Å; A672-A677 PolarHBondContact O-N 3.11Å; A672-H678 HydrophobicContact CB-CB 4.39Å; A672-H678 PolarHBondContact O-N 3.07Å; A672-Y688 HydrophobicContact CB-CE1 3.8Å; A672-Y688 VanDerWaalsContact CB-OH 3.23Å; A672-Y688 WeakPolarHBondContact CB-OH 3.11Å |
| 673 | Q | 94 | Very high | 90.4 | Very high | 97 Ų | 97 | 47.8 Ų | 47.8 | 45% | 0.453 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.2 | -47.2 | 173.5 | -75.2 | 170.8 | -2.5 | 0 | 0 | 110.6 | Q669 T670 A675 N676 H678 | Q669-Q673 WeakPolarHBondContact O-CB 3.16Å; Q669-Q673 VanDerWaalsContact O-CG 3.28Å; Q669-Q673 WeakPolarHBondContact O-CG 3.3Å; Q669-Q673 PolarHBondContact O-N 3.5Å; T670-Q673 WeakPolarHBondContact O-CB 3.29Å; T670-Q673 PolarHBondContact O-N 3Å; T670-Q673 VanDerWaalsContact O-N 3.12Å; Q673-A675 PolarHBondContact O-N 3.45Å; Q673-N676 PolarHBondContact O-N 3.05Å; Q673-H678 HydrophobicContact CB-CB 4.42Å; Q673-H678 HydrophobicContact CG-CB 3.61Å |
| 674 | L | 91.5 | Very high | 91.5 | Very high | 77 Ų | 77 | 47 Ų | 47 | 40% | 0.403 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.1 | -39.1 | 175.5 | -65.4 | -179.5 | 0 | 0 | 0 | 111.5 | T670 N676 L713 N744 | T670-L674 HydrophobicContact CG2-CD1 4.49Å; T670-L674 WeakPolarHBondContact O-CG 3.36Å; T670-L674 PolarHBondContact O-N 3.18Å; L674-N676 VanDerWaalsContact C-N 3.29Å; L674-N676 PolarHBondContact O-N 2.75Å; L674-L713 HydrophobicContact CB-CD1 3.97Å; L674-N744 WeakPolarHBondContact CB-OD1 3.41Å; L674-N744 WeakPolarHBondContact CD2-OD1 3.49Å; L674-N744 PolarHBondContact O-ND2 3.09Å |
| 675 | A | 91.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 11 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A671 Q673 A677 R706 I709 A710 | A671-A675 WeakPolarHBondContact O-CB 3.3Å; A671-A675 PolarHBondContact O-N 3.19Å; A671-A675 VanDerWaalsContact O-N 3.09Å; Q673-A675 PolarHBondContact O-N 3.45Å; A675-A677 PolarHBondContact O-N 3.02Å; A675-R706 VanDerWaalsContact CB-O 3.29Å; A675-R706 WeakPolarHBondContact CB-O 3.48Å; A675-R706 WeakPolarHBondContact O-CB 3.43Å; A675-R706 WeakPolarHBondContact O-CD 3.38Å; A675-R706 WeakPolarHBondContact O-CG 3.46Å; A675-I709 HydrophobicContact CB-CB 4.12Å; A675-I709 HydrophobicContact CB-CG2 3.89Å; A675-A710 HydrophobicContact CB-CB 3.7Å |
| 676 | N | 92.6 | Very high | 92.3 | Very high | 45 Ų | 45 | 54.6 Ų | 54.6 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 26.6 | -173.9 | -70.4 | -25.2 | 0 | 0 | 0 | 114.2 | A672 Q673 L674 R706 V736 A740 | A672-N676 PolarHBondContact O-N 3Å; Q673-N676 PolarHBondContact O-N 3.05Å; L674-N676 VanDerWaalsContact C-N 3.29Å; L674-N676 PolarHBondContact O-N 2.75Å; N676-R706 WeakPolarHBondContact O-CD 3.33Å; N676-R706 PolarHBondContact O-NH1 3.31Å; N676-V736 HydrophobicContact CB-CG1 3.75Å; N676-V736 PolarHBondContact ND2-O 3.38Å; N676-A740 HydrophobicContact CB-CB 4.23Å |
| 677 | A | 93.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -94.4 | -22.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A672 A675 S679 F680 V681 R706 L707 | A672-A677 HydrophobicContact CB-CB 4.19Å; A672-A677 WeakPolarHBondContact O-CA 3.14Å; A672-A677 WeakPolarHBondContact O-CB 3.32Å; A672-A677 PolarHBondContact O-N 3.11Å; A675-A677 PolarHBondContact O-N 3.02Å; A677-S679 VanDerWaalsContact C-N 3.31Å; A677-S679 PolarHBondContact O-N 3.26Å; A677-F680 HydrophobicContact CB-CD1 4.38Å; A677-F680 HydrophobicContact CB-CE1 3.55Å; A677-F680 HydrophobicContact CB-CZ 3.92Å; A677-F680 VanDerWaalsContact O-CD1 3.23Å; A677-F680 WeakPolarHBondContact O-CD1 3.41Å; A677-F680 WeakPolarHBondContact O-CE1 3.48Å; A677-F680 PolarHBondContact O-N 3.36Å; A677-V681 HydrophobicContact CB-CG2 4.39Å; A677-V681 WeakPolarHBondContact O-CB 3.39Å; A677-V681 WeakPolarHBondContact O-CG2 3.39Å; A677-V681 PolarHBondContact O-N 3.3Å; A677-R706 HydrophobicContact CB-CB 4.05Å; A677-L707 HydrophobicContact CB-CD2 4.16Å | ||
| 678 | H | 94.4 | Very high | 92.8 | Very high | 53 Ų | 53 | 49.4 Ų | 49.4 | 25% | 0.245 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.9 | -40.2 | -171.6 | 179.2 | 46.4 | 0 | 0 | 0 | 114.1 | A672 Q673 V681 S682 Y688 | A672-H678 HydrophobicContact CB-CB 4.39Å; A672-H678 PolarHBondContact O-N 3.07Å; Q673-H678 HydrophobicContact CB-CB 4.42Å; Q673-H678 HydrophobicContact CG-CB 3.61Å; H678-V681 PolarHBondContact O-N 3.31Å; H678-S682 PolarHBondContact CE1-OG 3.06Å; H678-S682 PolarHBondContact ND1-OG 2.85Å; H678-S682 VanDerWaalsContact ND1-OG 3.15Å; H678-S682 VanDerWaalsContact O-CB 3.28Å; H678-S682 WeakPolarHBondContact O-CB 3.28Å; H678-S682 PolarHBondContact O-N 3.44Å; H678-S682 PolarHBondContact O-OG 2.66Å; H678-Y688 AromaticContact ND1-CE2 3.83Å; H678-Y688 AromaticContact ND1-CZ 3.76Å; H678-Y688 PolarHBondContact ND1-OH 3.32Å |
| 679 | S | 92.3 | Very high | 92.9 | Very high | 86 Ų | 86 | 53.3 Ų | 53.3 | 60% | 0.601 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.2 | -51.5 | -176.8 | 53.3 | 0 | 0 | 0 | 0 | 112.3 | A677 S682 S683 | A677-S679 VanDerWaalsContact C-N 3.31Å; A677-S679 PolarHBondContact O-N 3.26Å; S679-S682 PolarHBondContact O-N 3.39Å; S679-S683 PolarHBondContact O-N 3.41Å; S679-S683 VanDerWaalsContact O-N 3.15Å |
| 680 | F | 92.5 | Very high | 92.9 | Very high | 16 Ų | 16 | 51.2 Ų | 51.2 | 7% | 0.07 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.2 | -35.6 | 179.7 | 80 | -102.3 | 0 | 0 | 0 | 111.5 | A677 S682 S683 F684 Q703 R706 L707 | A677-F680 HydrophobicContact CB-CD1 4.38Å; A677-F680 HydrophobicContact CB-CE1 3.55Å; A677-F680 HydrophobicContact CB-CZ 3.92Å; A677-F680 VanDerWaalsContact O-CD1 3.23Å; A677-F680 WeakPolarHBondContact O-CD1 3.41Å; A677-F680 WeakPolarHBondContact O-CE1 3.48Å; A677-F680 PolarHBondContact O-N 3.36Å; F680-S682 VanDerWaalsContact C-N 3.33Å; F680-S682 PolarHBondContact O-N 2.82Å; F680-S683 WeakPolarHBondContact O-CB 3.5Å; F680-S683 PolarHBondContact O-N 2.86Å; F680-S683 VanDerWaalsContact O-N 3.17Å; F680-S683 PolarHBondContact O-OG 3.29Å; F680-F684 AromaticContact CD2-CE2 3.69Å; F680-F684 HydrophobicContact CD2-CE2 3.69Å; F680-F684 AromaticContact CD2-CZ 3.99Å; F680-F684 HydrophobicContact CD2-CZ 3.99Å; F680-F684 AromaticContact CE2-CE2 3.99Å; F680-F684 HydrophobicContact CE2-CE2 3.99Å; F680-F684 HydrophobicContact CE2-CZ 4.47Å; F680-F684 PolarHBondContact O-N 3.01Å; F680-Q703 HydrophobicContact CD1-CG 4.11Å; F680-Q703 HydrophobicContact CD2-CB 4.4Å; F680-Q703 HydrophobicContact CD2-CG 3.8Å; F680-Q703 HydrophobicContact CE1-CB 4.25Å; F680-Q703 HydrophobicContact CE1-CG 4Å; F680-Q703 HydrophobicContact CE2-CB 3.83Å; F680-Q703 HydrophobicContact CE2-CG 3.74Å; F680-Q703 HydrophobicContact CG-CG 4.01Å; F680-Q703 HydrophobicContact CZ-CB 3.74Å; F680-Q703 HydrophobicContact CZ-CG 3.84Å; F680-R706 HydrophobicContact CE1-CB 4.2Å; F680-L707 HydrophobicContact CZ-CD2 4.12Å; F680-L707 HydrophobicContact CZ-CG 4.03Å |
| 681 | V | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 177 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | I650 A677 H678 S683 F684 G687 Y688 L707 | I650-V681 HydrophobicContact CD1-CG1 4.09Å; I650-V681 HydrophobicContact CD1-CG2 4.19Å; I650-V681 HydrophobicContact CG2-CG1 4Å; I650-V681 HydrophobicContact CG2-CG2 4.03Å; A677-V681 HydrophobicContact CB-CG2 4.39Å; A677-V681 WeakPolarHBondContact O-CB 3.39Å; A677-V681 WeakPolarHBondContact O-CG2 3.39Å; A677-V681 PolarHBondContact O-N 3.3Å; H678-V681 PolarHBondContact O-N 3.31Å; V681-S683 VanDerWaalsContact C-N 3.26Å; V681-S683 PolarHBondContact O-N 3.01Å; V681-F684 PolarHBondContact O-N 3.42Å; V681-G687 CarbonylContact O-C 3.37Å; V681-G687 VanDerWaalsContact O-CA 3.28Å; V681-G687 WeakPolarHBondContact O-CA 3.3Å; V681-Y688 HydrophobicContact CB-CE1 4.46Å; V681-Y688 HydrophobicContact CG1-CD1 3.64Å; V681-Y688 HydrophobicContact CG1-CD2 3.92Å; V681-Y688 HydrophobicContact CG1-CE1 3.71Å; V681-Y688 HydrophobicContact CG1-CE2 3.98Å; V681-Y688 HydrophobicContact CG1-CG 3.74Å; V681-L707 HydrophobicContact CG2-CD2 4.02Å |
| 682 | S | 93.7 | Very high | 93 | Very high | 60 Ų | 60 | 53.9 Ų | 53.9 | 42% | 0.42 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.7 | -23.2 | 177 | -61.4 | 0 | 0 | 0 | 0 | 113.4 | H678 S679 F680 F684 | H678-S682 PolarHBondContact CE1-OG 3.06Å; H678-S682 PolarHBondContact ND1-OG 2.85Å; H678-S682 VanDerWaalsContact ND1-OG 3.15Å; H678-S682 VanDerWaalsContact O-CB 3.28Å; H678-S682 WeakPolarHBondContact O-CB 3.28Å; H678-S682 PolarHBondContact O-N 3.44Å; H678-S682 PolarHBondContact O-OG 2.66Å; S679-S682 PolarHBondContact O-N 3.39Å; F680-S682 VanDerWaalsContact C-N 3.33Å; F680-S682 PolarHBondContact O-N 2.82Å; S682-F684 VanDerWaalsContact C-N 3.27Å; S682-F684 PolarHBondContact O-N 3.46Å |
| 683 | S | 93.8 | Very high | 92.8 | Very high | 88 Ų | 88 | 54.8 Ų | 54.8 | 62% | 0.615 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -72.7 | -19.8 | 175.7 | 78 | 0 | 0 | 0 | 0 | 113.4 | S679 F680 V681 | S679-S683 PolarHBondContact O-N 3.41Å; S679-S683 VanDerWaalsContact O-N 3.15Å; F680-S683 WeakPolarHBondContact O-CB 3.5Å; F680-S683 PolarHBondContact O-N 2.86Å; F680-S683 VanDerWaalsContact O-N 3.17Å; F680-S683 PolarHBondContact O-OG 3.29Å; V681-S683 VanDerWaalsContact C-N 3.26Å; V681-S683 PolarHBondContact O-N 3.01Å |
| 684 | F | 93.5 | Very high | 92.5 | Very high | 46 Ų | 46 | 57.2 Ų | 57.2 | 20% | 0.202 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -70.3 | 144.4 | 177.2 | -66.1 | -48.9 | 0 | 0 | 0 | 111.4 | I650 F680 V681 S682 R686 G687 T690 L699 | I650-F684 HydrophobicContact CD1-CD2 3.73Å; I650-F684 HydrophobicContact CD1-CE2 3.8Å; F680-F684 AromaticContact CD2-CE2 3.69Å; F680-F684 HydrophobicContact CD2-CE2 3.69Å; F680-F684 AromaticContact CD2-CZ 3.99Å; F680-F684 HydrophobicContact CD2-CZ 3.99Å; F680-F684 AromaticContact CE2-CE2 3.99Å; F680-F684 HydrophobicContact CE2-CE2 3.99Å; F680-F684 HydrophobicContact CE2-CZ 4.47Å; F680-F684 PolarHBondContact O-N 3.01Å; V681-F684 PolarHBondContact O-N 3.42Å; S682-F684 VanDerWaalsContact C-N 3.27Å; S682-F684 PolarHBondContact O-N 3.46Å; F684-R686 PolarHBondContact O-N 3Å; F684-G687 PolarHBondContact O-N 3.45Å; F684-T690 HydrophobicContact CB-CG2 4.28Å; F684-T690 VanDerWaalsContact CB-OG1 3.25Å; F684-T690 WeakPolarHBondContact CB-OG1 2.98Å; F684-T690 HydrophobicContact CD2-CG2 4.28Å; F684-T690 HydrophobicContact CG-CG2 4.23Å; F684-L699 HydrophobicContact CE2-CD2 3.75Å; F684-L699 HydrophobicContact CZ-CD2 3.45Å; F684-L699 VanDerWaalsContact CZ-CD2 3.45Å |
| 685 | P | 90.1 | Very high | 92.1 | Very high | 139 Ų | 139 | 59.8 Ų | 59.8 | 90% | 0.903 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -29.5 | -178.8 | -27 | 34.1 | 0 | 0 | 0 | 114.8 | ||
| 686 | R | 92.3 | Very high | 91.8 | Very high | 173 Ų | 173 | 59.8 Ų | 59.8 | 65% | 0.653 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 7.5 | 177.4 | -65.6 | -174.9 | 179.5 | 176.2 | 1 | 113.2 | F684 Y688 N689 | F684-R686 PolarHBondContact O-N 3Å; R686-Y688 PolarHBondContact O-N 3.34Å; R686-N689 HydrophobicContact CB-CB 4.48Å; R686-N689 WeakPolarHBondContact O-CA 3.32Å; R686-N689 WeakPolarHBondContact O-CB 3.3Å; R686-N689 PolarHBondContact O-N 2.89Å |
| 687 | G | 93.5 | Very high | 91.5 | Very high | 15 Ų | 15 | 63.3 Ų | 63.3 | 16% | 0.155 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | 51.9 | -128.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V681 F684 N689 T690 | V681-G687 CarbonylContact O-C 3.37Å; V681-G687 VanDerWaalsContact O-CA 3.28Å; V681-G687 WeakPolarHBondContact O-CA 3.3Å; F684-G687 PolarHBondContact O-N 3.45Å; G687-N689 PolarHBondContact O-N 2.97Å; G687-T690 PolarHBondContact N-OG1 3.48Å; G687-T690 VanDerWaalsContact O-CB 3.27Å; G687-T690 WeakPolarHBondContact O-CB 3.49Å; G687-T690 PolarHBondContact O-N 3.5Å; G687-T690 VanDerWaalsContact O-N 3.13Å; G687-T690 PolarHBondContact O-OG1 3.41Å |
| 688 | Y | 93.6 | Very high | 91.1 | Very high | 12 Ų | 12 | 69.7 Ų | 69.7 | 5% | 0.047 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -65.5 | -17.4 | 176.1 | -73.3 | -88.1 | 0 | 0 | 0 | 115 | I650 R651 I654 L665 T668 Q669 A672 H678 V681 R686 T690 | I650-Y688 HydrophobicContact CG2-CD1 4.29Å; I650-Y688 PolarHBondContact N-O 2.9Å; R651-Y688 PolarHBondContact N-O 3.12Å; I654-Y688 HydrophobicContact CD1-CD1 4.41Å; I654-Y688 HydrophobicContact CD1-CE1 4.19Å; L665-Y688 HydrophobicContact CD1-CD2 4.16Å; L665-Y688 HydrophobicContact CD1-CG 4.12Å; T668-Y688 HydrophobicContact CG2-CD1 3.74Å; T668-Y688 HydrophobicContact CG2-CE1 3.94Å; Q669-Y688 WeakPolarHBondContact CA-OH 3.35Å; Q669-Y688 HydrophobicContact CG-CD2 4.31Å; Q669-Y688 HydrophobicContact CG-CE1 4.5Å; Q669-Y688 HydrophobicContact CG-CE2 3.54Å; A672-Y688 HydrophobicContact CB-CE1 3.8Å; A672-Y688 VanDerWaalsContact CB-OH 3.23Å; A672-Y688 WeakPolarHBondContact CB-OH 3.11Å; H678-Y688 AromaticContact ND1-CE2 3.83Å; H678-Y688 AromaticContact ND1-CZ 3.76Å; H678-Y688 PolarHBondContact ND1-OH 3.32Å; V681-Y688 HydrophobicContact CB-CE1 4.46Å; V681-Y688 HydrophobicContact CG1-CD1 3.64Å; V681-Y688 HydrophobicContact CG1-CD2 3.92Å; V681-Y688 HydrophobicContact CG1-CE1 3.71Å; V681-Y688 HydrophobicContact CG1-CE2 3.98Å; V681-Y688 HydrophobicContact CG1-CG 3.74Å; R686-Y688 PolarHBondContact O-N 3.34Å; Y688-T690 VanDerWaalsContact C-N 3.28Å |
| 689 | N | 93.5 | Very high | 90.9 | Very high | 82 Ų | 82 | 67.9 Ų | 67.9 | 44% | 0.439 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -88.7 | 6.2 | 175.9 | -63.8 | -37.1 | 0 | 0 | 0 | 112.5 | R651 R686 G687 E691 | R651-N689 PolarHBondContact NH2-OD1 3.03Å; R686-N689 HydrophobicContact CB-CB 4.48Å; R686-N689 WeakPolarHBondContact O-CA 3.32Å; R686-N689 WeakPolarHBondContact O-CB 3.3Å; R686-N689 PolarHBondContact O-N 2.89Å; G687-N689 PolarHBondContact O-N 2.97Å; N689-E691 PolarHBondContact O-N 2.97Å |
| 690 | T | 94.1 | Very high | 90.8 | Very high | 18 Ų | 18 | 66.5 Ų | 66.5 | 11% | 0.11 | 36% | 0.357 | C | S | . | . | trans | -65 | 128.9 | 173.2 | -54.7 | 0 | 0 | 0 | 0 | 109.7 | S649 I650 F684 G687 Y688 | S649-T690 CarbonylContact C-O 3.43Å; S649-T690 WeakPolarHBondContact CA-O 3.34Å; I650-T690 PolarHBondContact N-O 2.7Å; F684-T690 HydrophobicContact CB-CG2 4.28Å; F684-T690 VanDerWaalsContact CB-OG1 3.25Å; F684-T690 WeakPolarHBondContact CB-OG1 2.98Å; F684-T690 HydrophobicContact CD2-CG2 4.28Å; F684-T690 HydrophobicContact CG-CG2 4.23Å; G687-T690 PolarHBondContact N-OG1 3.48Å; G687-T690 VanDerWaalsContact O-CB 3.27Å; G687-T690 WeakPolarHBondContact O-CB 3.49Å; G687-T690 PolarHBondContact O-N 3.5Å; G687-T690 VanDerWaalsContact O-N 3.13Å; G687-T690 PolarHBondContact O-OG1 3.41Å; Y688-T690 VanDerWaalsContact C-N 3.28Å | ||
| 691 | E | 93.6 | Very high | 90.6 | Very high | 123 Ų | 123 | 67.6 Ų | 67.6 | 58% | 0.575 | 37% | 0.372 | S | S | * | . | B | Isolated β-bridge | trans | -81.8 | 127 | 175 | -68.1 | -179.5 | -171.7 | 0 | 0 | 109.7 | N689 Q698 | N689-E691 PolarHBondContact O-N 2.97Å; E691-Q698 PolarHBondContact O-OE1 3.25Å |
| 692 | V | 91.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.006 | 37% | 0.372 | C | S | . | . | trans | -84.1 | -11.3 | -173.3 | -57.4 | 0 | 0 | 0 | 0 | 114 | L645 F646 R648 I650 G696 Q698 L699 | L645-V692 HydrophobicContact CB-CG2 3.88Å; L645-V692 HydrophobicContact CD1-CB 4.38Å; L645-V692 HydrophobicContact CD1-CG1 4.37Å; L645-V692 HydrophobicContact CD1-CG2 4.24Å; F646-V692 VanDerWaalsContact O-CG2 3.24Å; F646-V692 WeakPolarHBondContact O-CG2 3.34Å; R648-V692 PolarHBondContact O-N 3.12Å; I650-V692 HydrophobicContact CD1-CG1 4.33Å; I650-V692 HydrophobicContact CG1-CG1 3.44Å; I650-V692 VanDerWaalsContact CG1-CG1 3.44Å; V692-G696 CarbonylContact O-C 3.38Å; V692-G696 VanDerWaalsContact O-CA 3.31Å; V692-G696 WeakPolarHBondContact O-CA 3.32Å; V692-Q698 PolarHBondContact O-N 3.45Å; V692-L699 HydrophobicContact CB-CD1 4.12Å; V692-L699 HydrophobicContact CG1-CD1 3.7Å; V692-L699 HydrophobicContact CG1-CG 4.39Å | ||
| 693 | G | 89.4 | Confident | 90.4 | Very high | 20 Ų | 20 | 66.6 Ų | 66.6 | 21% | 0.206 | 36% | 0.361 | C | S | . | . | trans | 75.8 | 178.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114 | A647 K695 G696 | A647-G693 WeakPolarHBondContact CA-O 3.42Å; G693-K695 PolarHBondContact O-N 2.92Å; G693-G696 PolarHBondContact O-N 3.48Å; G693-G696 VanDerWaalsContact O-N 3.16Å | ||
| 694 | E | 87.2 | Confident | 90.3 | Very high | 147 Ų | 147 | 65 Ų | 65 | 69% | 0.687 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -60 | 129.5 | 178.3 | -164.8 | -176 | 163.2 | 0 | 0 | 110.6 | G696 V697 | E694-G696 PolarHBondContact O-N 3.13Å; E694-V697 WeakPolarHBondContact O-CG2 3.41Å; E694-V697 PolarHBondContact O-N 3.13Å |
| 695 | K | 85.1 | Confident | 90.2 | Very high | 131 Ų | 131 | 63 Ų | 63 | 57% | 0.57 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | 54.7 | 14.1 | -176.3 | -58.6 | -178.2 | -179.7 | -178.5 | 0 | 115 | V644 L645 G693 | V644-K695 HydrophobicContact CG1-CB 4.38Å; V644-K695 HydrophobicContact CG1-CG 4.04Å; L645-K695 CarbonylContact O-C 3.59Å; L645-K695 WeakPolarHBondContact O-CA 3.44Å; L645-K695 PolarHBondContact O-N 2.66Å; G693-K695 PolarHBondContact O-N 2.92Å |
| 696 | G | 84.3 | Confident | 90.4 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | 71.5 | 29.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V692 G693 E694 Q698 L699 | V692-G696 CarbonylContact O-C 3.38Å; V692-G696 VanDerWaalsContact O-CA 3.31Å; V692-G696 WeakPolarHBondContact O-CA 3.32Å; G693-G696 PolarHBondContact O-N 3.48Å; G693-G696 VanDerWaalsContact O-N 3.16Å; E694-G696 PolarHBondContact O-N 3.13Å; G696-Q698 PolarHBondContact O-N 3.41Å; G696-L699 PolarHBondContact O-N 3.2Å |
| 697 | V | 85.9 | Confident | 90.5 | Very high | 120 Ų | 120 | 49.7 Ų | 49.7 | 73% | 0.727 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -25.5 | -176.6 | 168.6 | 0 | 0 | 0 | 0 | 113.9 | E694 L699 | E694-V697 WeakPolarHBondContact O-CG2 3.41Å; E694-V697 PolarHBondContact O-N 3.13Å; V697-L699 PolarHBondContact O-N 3.15Å |
| 698 | Q | 85.9 | Confident | 90.5 | Very high | 134 Ų | 134 | 49.2 Ų | 49.2 | 63% | 0.626 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -7.7 | 178.1 | -60.9 | -174 | 5.1 | 0 | 0 | 114 | E691 V692 G696 | E691-Q698 PolarHBondContact O-OE1 3.25Å; V692-Q698 PolarHBondContact O-N 3.45Å; G696-Q698 PolarHBondContact O-N 3.41Å |
| 699 | L | 90.1 | Very high | 90.5 | Very high | 14 Ų | 14 | 49 Ų | 49 | 7% | 0.073 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -112.3 | 143.5 | -176.2 | -60.8 | -179.6 | 0 | 0 | 0 | 111.1 | L645 F684 V692 G696 V697 Q703 K704 L707 | L645-L699 HydrophobicContact CD1-CD1 3.7Å; F684-L699 HydrophobicContact CE2-CD2 3.75Å; F684-L699 HydrophobicContact CZ-CD2 3.45Å; F684-L699 VanDerWaalsContact CZ-CD2 3.45Å; V692-L699 HydrophobicContact CB-CD1 4.12Å; V692-L699 HydrophobicContact CG1-CD1 3.7Å; V692-L699 HydrophobicContact CG1-CG 4.39Å; G696-L699 PolarHBondContact O-N 3.2Å; V697-L699 PolarHBondContact O-N 3.15Å; L699-Q703 HydrophobicContact CB-CB 4.1Å; L699-K704 HydrophobicContact CB-CG 3.78Å; L699-K704 HydrophobicContact CD1-CG 4.48Å; L699-L707 HydrophobicContact CD1-CD1 3.38Å |
| 700 | S | 90.1 | Very high | 90.5 | Very high | 58 Ų | 58 | 45.1 Ų | 45.1 | 41% | 0.406 | 24% | 0.24 | S | C | . | . | trans | -62.3 | 159.9 | 169.7 | 62.2 | 0 | 0 | 0 | 0 | 111.6 | G702 Q703 K704 | S700-G702 VanDerWaalsContact C-N 3.32Å; S700-G702 PolarHBondContact O-N 3.47Å; S700-Q703 PolarHBondContact O-N 3.29Å; S700-Q703 WeakPolarHBondContact OG-CB 3.48Å; S700-Q703 WeakPolarHBondContact OG-CG 3.34Å; S700-Q703 PolarHBondContact OG-N 3.12Å; S700-Q703 PolarHBondContact OG-OE1 3.22Å; S700-K704 PolarHBondContact O-N 3.28Å | ||
| 701 | G | 88.5 | Confident | 90.4 | Very high | 38 Ų | 38 | 46.1 Ų | 46.1 | 39% | 0.392 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -51.7 | -48.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q703 K704 Q705 L729 | G701-Q703 PolarHBondContact O-N 3.12Å; G701-K704 PolarHBondContact O-N 3.2Å; G701-Q705 PolarHBondContact O-N 2.88Å; G701-L729 VanDerWaalsContact C-CD2 3.45Å |
| 702 | G | 89.7 | Confident | 90.4 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.2 | -34.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S700 R706 L729 | S700-G702 VanDerWaalsContact C-N 3.32Å; S700-G702 PolarHBondContact O-N 3.47Å; G702-R706 WeakPolarHBondContact O-CG 3.22Å; G702-R706 PolarHBondContact O-N 3.49Å; G702-R706 VanDerWaalsContact O-N 3.14Å; G702-L729 VanDerWaalsContact CA-CD2 3.46Å; G702-L729 VanDerWaalsContact N-CD2 3.27Å |
| 703 | Q | 92.3 | Very high | 90.4 | Very high | 38 Ų | 38 | 41.1 Ų | 41.1 | 18% | 0.178 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.2 | -43.2 | 173.7 | -74.2 | 166.4 | -26.5 | 0 | 0 | 111.7 | F680 L699 S700 G701 Q705 R706 L707 | F680-Q703 HydrophobicContact CD1-CG 4.11Å; F680-Q703 HydrophobicContact CD2-CB 4.4Å; F680-Q703 HydrophobicContact CD2-CG 3.8Å; F680-Q703 HydrophobicContact CE1-CB 4.25Å; F680-Q703 HydrophobicContact CE1-CG 4Å; F680-Q703 HydrophobicContact CE2-CB 3.83Å; F680-Q703 HydrophobicContact CE2-CG 3.74Å; F680-Q703 HydrophobicContact CG-CG 4.01Å; F680-Q703 HydrophobicContact CZ-CB 3.74Å; F680-Q703 HydrophobicContact CZ-CG 3.84Å; L699-Q703 HydrophobicContact CB-CB 4.1Å; S700-Q703 PolarHBondContact O-N 3.29Å; S700-Q703 WeakPolarHBondContact OG-CB 3.48Å; S700-Q703 WeakPolarHBondContact OG-CG 3.34Å; S700-Q703 PolarHBondContact OG-N 3.12Å; S700-Q703 PolarHBondContact OG-OE1 3.22Å; G701-Q703 PolarHBondContact O-N 3.12Å; Q703-Q705 VanDerWaalsContact C-N 3.3Å; Q703-Q705 PolarHBondContact O-N 3.26Å; Q703-R706 PolarHBondContact O-N 2.96Å; Q703-L707 WeakPolarHBondContact O-CG 3.43Å; Q703-L707 PolarHBondContact O-N 2.91Å |
| 704 | K | 92.9 | Very high | 90.5 | Very high | 54 Ų | 54 | 41.1 Ų | 41.1 | 24% | 0.235 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.5 | -41.3 | 175.8 | -69.1 | -173.8 | -72.5 | 176.1 | 0 | 111.6 | P643 L645 L699 S700 G701 L707 A708 | P643-K704 HydrophobicContact CG-CB 4Å; L645-K704 HydrophobicContact CD1-CB 4.44Å; L645-K704 HydrophobicContact CD1-CG 4.01Å; L699-K704 HydrophobicContact CB-CG 3.78Å; L699-K704 HydrophobicContact CD1-CG 4.48Å; S700-K704 PolarHBondContact O-N 3.28Å; G701-K704 PolarHBondContact O-N 3.2Å; K704-L707 PolarHBondContact O-N 2.62Å; K704-A708 PolarHBondContact O-N 3.38Å |
| 705 | Q | 91.9 | Very high | 90.6 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.019 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.8 | -49.2 | 176.9 | -153.1 | 69.2 | 18.7 | 0 | 0 | 112.4 | V639 S640 G701 Q703 L707 A708 I709 A725 L729 V737 | V639-Q705 VanDerWaalsContact CG1-NE2 3.32Å; S640-Q705 PolarHBondContact O-NE2 3.11Å; G701-Q705 PolarHBondContact O-N 2.88Å; Q703-Q705 VanDerWaalsContact C-N 3.3Å; Q703-Q705 PolarHBondContact O-N 3.26Å; Q705-L707 VanDerWaalsContact C-N 3.3Å; Q705-L707 PolarHBondContact O-N 3.44Å; Q705-A708 WeakPolarHBondContact O-CB 3.42Å; Q705-A708 PolarHBondContact O-N 3.18Å; Q705-I709 HydrophobicContact CG-CD1 4.49Å; Q705-I709 WeakPolarHBondContact O-CG1 3.37Å; Q705-I709 PolarHBondContact O-N 3.13Å; Q705-A725 VanDerWaalsContact CG-O 3.25Å; Q705-A725 WeakPolarHBondContact CG-O 3.27Å; Q705-A725 PolarHBondContact NE2-O 2.95Å; Q705-A725 VanDerWaalsContact NE2-O 3.15Å; Q705-L729 HydrophobicContact CB-CD1 4.33Å; Q705-L729 HydrophobicContact CG-CD1 4.34Å; Q705-V737 HydrophobicContact CB-CG2 4.06Å; Q705-V737 HydrophobicContact CG-CG1 3.9Å; Q705-V737 HydrophobicContact CG-CG2 4.28Å |
| 706 | R | 93.3 | Very high | 90.7 | Very high | 32 Ų | 32 | 39.3 Ų | 39.3 | 12% | 0.121 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.2 | -37.3 | 177.4 | -72.1 | -172.8 | -75.7 | -176.6 | -12.9 | 112.5 | A675 N676 A677 F680 G702 Q703 I709 A710 V737 | A675-R706 VanDerWaalsContact CB-O 3.29Å; A675-R706 WeakPolarHBondContact CB-O 3.48Å; A675-R706 WeakPolarHBondContact O-CB 3.43Å; A675-R706 WeakPolarHBondContact O-CD 3.38Å; A675-R706 WeakPolarHBondContact O-CG 3.46Å; N676-R706 WeakPolarHBondContact O-CD 3.33Å; N676-R706 PolarHBondContact O-NH1 3.31Å; A677-R706 HydrophobicContact CB-CB 4.05Å; F680-R706 HydrophobicContact CE1-CB 4.2Å; G702-R706 WeakPolarHBondContact O-CG 3.22Å; G702-R706 PolarHBondContact O-N 3.49Å; G702-R706 VanDerWaalsContact O-N 3.14Å; Q703-R706 PolarHBondContact O-N 2.96Å; R706-I709 PolarHBondContact O-N 3.15Å; R706-A710 WeakPolarHBondContact O-CB 3.34Å; R706-A710 PolarHBondContact O-N 3.4Å; R706-V737 HydrophobicContact CG-CG2 3.75Å |
| 707 | L | 94.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.7 | -34.6 | 173 | -68.6 | -177.3 | 0 | 0 | 0 | 113.1 | L645 I650 I654 A677 F680 V681 L699 Q703 K704 Q705 A710 R711 | L645-L707 HydrophobicContact CD1-CB 4.44Å; L645-L707 HydrophobicContact CD1-CD1 3.79Å; L645-L707 HydrophobicContact CD2-CB 4.29Å; I650-L707 HydrophobicContact CG1-CD1 4.27Å; I650-L707 HydrophobicContact CG2-CD1 4.19Å; I650-L707 HydrophobicContact CG2-CD2 3.66Å; I654-L707 HydrophobicContact CD1-CD2 4.03Å; I654-L707 HydrophobicContact CG1-CD2 4.23Å; A677-L707 HydrophobicContact CB-CD2 4.16Å; F680-L707 HydrophobicContact CZ-CD2 4.12Å; F680-L707 HydrophobicContact CZ-CG 4.03Å; V681-L707 HydrophobicContact CG2-CD2 4.02Å; L699-L707 HydrophobicContact CD1-CD1 3.38Å; Q703-L707 WeakPolarHBondContact O-CG 3.43Å; Q703-L707 PolarHBondContact O-N 2.91Å; K704-L707 PolarHBondContact O-N 2.62Å; Q705-L707 VanDerWaalsContact C-N 3.3Å; Q705-L707 PolarHBondContact O-N 3.44Å; L707-A710 PolarHBondContact O-N 3.03Å; L707-R711 WeakPolarHBondContact O-CB 3.23Å; L707-R711 PolarHBondContact O-N 3.39Å |
| 708 | A | 93.3 | Very high | 91.5 | Very high | 6 Ų | 6 | 38.7 Ų | 38.7 | 5% | 0.05 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.1 | -39.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V639 P643 K704 Q705 R711 A712 | V639-A708 HydrophobicContact CG1-CB 4.26Å; P643-A708 HydrophobicContact CB-CB 3.46Å; P643-A708 VanDerWaalsContact CB-CB 3.46Å; P643-A708 HydrophobicContact CG-CB 4.15Å; K704-A708 PolarHBondContact O-N 3.38Å; Q705-A708 WeakPolarHBondContact O-CB 3.42Å; Q705-A708 PolarHBondContact O-N 3.18Å; A708-R711 WeakPolarHBondContact O-CB 3.34Å; A708-R711 PolarHBondContact O-N 3.02Å; A708-A712 PolarHBondContact O-N 3.13Å |
| 709 | I | 93 | Very high | 91.9 | Very high | 7 Ų | 7 | 32.4 Ų | 32.4 | 4% | 0.036 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63 | -46.2 | 172 | -65.4 | 162.5 | 0 | 0 | 0 | 110.1 | V639 A675 Q705 R706 R711 A712 L713 V737 I741 | V639-I709 HydrophobicContact CG1-CG1 4.01Å; V639-I709 HydrophobicContact CG2-CG1 4.17Å; A675-I709 HydrophobicContact CB-CB 4.12Å; A675-I709 HydrophobicContact CB-CG2 3.89Å; Q705-I709 HydrophobicContact CG-CD1 4.49Å; Q705-I709 WeakPolarHBondContact O-CG1 3.37Å; Q705-I709 PolarHBondContact O-N 3.13Å; R706-I709 PolarHBondContact O-N 3.15Å; I709-R711 VanDerWaalsContact C-N 3.3Å; I709-R711 PolarHBondContact O-N 2.9Å; I709-A712 WeakPolarHBondContact O-CB 3.04Å; I709-A712 PolarHBondContact O-N 3.4Å; I709-A712 VanDerWaalsContact O-N 3.12Å; I709-L713 HydrophobicContact CG2-CD1 3.85Å; I709-L713 HydrophobicContact CG2-CG 4.21Å; I709-L713 WeakPolarHBondContact O-CG 3.46Å; I709-L713 PolarHBondContact O-N 2.71Å; I709-V737 HydrophobicContact CD1-CG1 3.81Å; I709-I741 HydrophobicContact CD1-CD1 4.07Å; I709-I741 HydrophobicContact CD1-CG1 3.68Å; I709-I741 HydrophobicContact CG1-CG1 4.36Å |
| 710 | A | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.1 | -43.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I654 A675 R706 L707 A712 L713 F714 | I654-A710 HydrophobicContact CD1-CB 4.25Å; I654-A710 HydrophobicContact CG1-CB 4.07Å; I654-A710 HydrophobicContact CG2-CB 4.28Å; A675-A710 HydrophobicContact CB-CB 3.7Å; R706-A710 WeakPolarHBondContact O-CB 3.34Å; R706-A710 PolarHBondContact O-N 3.4Å; L707-A710 PolarHBondContact O-N 3.03Å; A710-A712 PolarHBondContact O-N 3.38Å; A710-L713 PolarHBondContact O-N 2.75Å; A710-F714 VanDerWaalsContact O-CB 3.24Å; A710-F714 WeakPolarHBondContact O-CB 3.28Å; A710-F714 PolarHBondContact O-N 3.41Å |
| 711 | R | 93.5 | Very high | 92.4 | Very high | 39 Ų | 39 | 29.3 Ų | 29.3 | 15% | 0.147 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.7 | -43.3 | 175.1 | 179.1 | -168.4 | -61.4 | 169.6 | -0.2 | 112.2 | V644 N653 I654 L707 A708 I709 | V644-R711 PolarHBondContact O-NH1 3.41Å; N653-R711 PolarHBondContact O-NE 3.01Å; N653-R711 PolarHBondContact O-NH2 3.42Å; N653-R711 PolarHBondContact OD1-NH2 3.25Å; I654-R711 WeakPolarHBondContact O-CA 3.24Å; L707-R711 WeakPolarHBondContact O-CB 3.23Å; L707-R711 PolarHBondContact O-N 3.39Å; A708-R711 WeakPolarHBondContact O-CB 3.34Å; A708-R711 PolarHBondContact O-N 3.02Å; I709-R711 VanDerWaalsContact C-N 3.3Å; I709-R711 PolarHBondContact O-N 2.9Å |
| 712 | A | 92.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 3% | 0.033 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.9 | -50.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A637 V639 A708 I709 A710 F714 R715 P717 L720 | A637-A712 HydrophobicContact CB-CB 3.83Å; V639-A712 HydrophobicContact CG2-CB 3.81Å; A708-A712 PolarHBondContact O-N 3.13Å; I709-A712 WeakPolarHBondContact O-CB 3.04Å; I709-A712 PolarHBondContact O-N 3.4Å; I709-A712 VanDerWaalsContact O-N 3.12Å; A710-A712 PolarHBondContact O-N 3.38Å; A712-F714 VanDerWaalsContact C-N 3.35Å; A712-F714 PolarHBondContact O-N 3.02Å; A712-R715 PolarHBondContact O-N 2.97Å; A712-P717 WeakPolarHBondContact O-CD 3.4Å; A712-L720 HydrophobicContact CB-CD1 3.97Å |
| 713 | L | 91.2 | Very high | 92.9 | Very high | 16 Ų | 16 | 29 Ų | 29 | 8% | 0.084 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.2 | -32.1 | -178.3 | -65.6 | 178.4 | 0 | 0 | 0 | 113.2 | L674 I709 A710 R715 K716 N744 | L674-L713 HydrophobicContact CB-CD1 3.97Å; I709-L713 HydrophobicContact CG2-CD1 3.85Å; I709-L713 HydrophobicContact CG2-CG 4.21Å; I709-L713 WeakPolarHBondContact O-CG 3.46Å; I709-L713 PolarHBondContact O-N 2.71Å; A710-L713 PolarHBondContact O-N 2.75Å; L713-R715 PolarHBondContact O-N 2.92Å; L713-K716 PolarHBondContact O-N 3.41Å; L713-N744 HydrophobicContact CD1-CB 3.88Å; L713-N744 HydrophobicContact CD2-CB 4.18Å |
| 714 | F | 91.6 | Very high | 92.7 | Very high | 19 Ų | 19 | 28.9 Ų | 28.9 | 8% | 0.083 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.3 | -34.1 | 178.5 | -173.6 | -92.6 | 0 | 0 | 0 | 112.4 | I654 A655 Y658 N667 A671 A710 A712 K716 | I654-F714 HydrophobicContact CG2-CB 4.02Å; I654-F714 HydrophobicContact CG2-CD2 3.86Å; I654-F714 HydrophobicContact CG2-CG 4.07Å; A655-F714 HydrophobicContact CB-CD1 4.4Å; A655-F714 HydrophobicContact CB-CE1 3.79Å; A655-F714 HydrophobicContact CB-CZ 3.92Å; Y658-F714 AromaticContact CD1-CE1 3.99Å; Y658-F714 HydrophobicContact CD1-CE1 3.99Å; Y658-F714 HydrophobicContact CD2-CD1 4.25Å; Y658-F714 AromaticContact CD2-CE1 3.81Å; Y658-F714 HydrophobicContact CD2-CE1 3.81Å; Y658-F714 HydrophobicContact CE2-CE1 4.44Å; Y658-F714 HydrophobicContact CG-CD1 4.29Å; Y658-F714 AromaticContact CG-CE1 3.56Å; Y658-F714 HydrophobicContact CG-CE1 3.56Å; N667-F714 HydrophobicContact CB-CE2 3.76Å; N667-F714 HydrophobicContact CB-CZ 4.31Å; A671-F714 HydrophobicContact CB-CB 3.95Å; A671-F714 HydrophobicContact CB-CD2 3.85Å; A671-F714 HydrophobicContact CB-CG 4.42Å; A710-F714 VanDerWaalsContact O-CB 3.24Å; A710-F714 WeakPolarHBondContact O-CB 3.28Å; A710-F714 PolarHBondContact O-N 3.41Å; A712-F714 VanDerWaalsContact C-N 3.35Å; A712-F714 PolarHBondContact O-N 3.02Å; F714-K716 VanDerWaalsContact C-N 3.3Å; F714-K716 PolarHBondContact O-N 3.28Å |
| 715 | R | 89 | Confident | 92.2 | Very high | 69 Ų | 69 | 26.6 Ų | 26.6 | 26% | 0.26 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -8.3 | 178 | -63.4 | -174 | -177.2 | -178 | 5.2 | 114.2 | H633 Y656 A712 L713 | H633-R715 PolarHBondContact O-NH1 2.87Å; Y656-R715 VanDerWaalsContact O-CZ 3.28Å; Y656-R715 PolarHBondContact O-NE 3.39Å; Y656-R715 PolarHBondContact O-NH2 3.19Å; A712-R715 PolarHBondContact O-N 2.97Å; L713-R715 PolarHBondContact O-N 2.92Å |
| 716 | K | 88.5 | Confident | 91.8 | Very high | 172 Ų | 172 | 26.9 Ų | 26.9 | 75% | 0.748 | 12% | 0.121 | S | C | * | . | trans | 51.2 | 57.9 | -175 | -57.7 | -180 | -179.2 | 179.2 | 0 | 112.8 | L713 F714 | L713-K716 PolarHBondContact O-N 3.41Å; F714-K716 VanDerWaalsContact C-N 3.3Å; F714-K716 PolarHBondContact O-N 3.28Å | ||
| 717 | P | 92 | Very high | 91 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.013 | 13% | 0.126 | C | C | . | . | trans | -65.5 | 156.3 | -177.3 | 30.7 | -37.6 | 0 | 0 | 0 | 111.3 | V635 A637 A712 H748 | V635-P717 CarbonylContact O-C 3.53Å; V635-P717 WeakPolarHBondContact O-CA 3.47Å; V635-P717 WeakPolarHBondContact O-CB 3.27Å; A637-P717 HydrophobicContact CB-CB 3.7Å; A637-P717 HydrophobicContact CB-CG 3.69Å; A712-P717 WeakPolarHBondContact O-CD 3.4Å; P717-H748 PolarHBondContact O-CE1 3.48Å; P717-H748 PolarHBondContact O-ND1 3.19Å | ||
| 718 | K | 93.6 | Very high | 90.2 | Very high | 105 Ų | 105 | 30.4 Ų | 30.4 | 46% | 0.457 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -90.2 | -29.2 | 168 | -66.7 | -67.8 | -177.3 | -178.1 | 0 | 112.1 | V635 T749 | V635-K718 HydrophobicContact CG1-CB 3.97Å; V635-K718 PolarHBondContact O-N 3.47Å; K718-T749 PolarHBondContact O-N 3.11Å |
| 719 | V | 95.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 122.4 | 176.8 | -177.6 | 0 | 0 | 0 | 0 | 109 | V558 L619 V635 I636 A637 L721 T749 | V558-V719 HydrophobicContact CG2-CG1 4.1Å; V558-V719 HydrophobicContact CG2-CG2 4.24Å; L619-V719 HydrophobicContact CD1-CG2 3.84Å; V635-V719 PolarHBondContact O-N 3.09Å; I636-V719 WeakPolarHBondContact CA-O 3.41Å; I636-V719 HydrophobicContact CG1-CB 4.13Å; A637-V719 PolarHBondContact N-O 3.23Å; V719-L721 HydrophobicContact CG1-CD2 3.77Å; V719-L721 HydrophobicContact CG1-CG 4.45Å; V719-T749 CarbonylContact C-O 3.1Å; V719-T749 VanDerWaalsContact CA-O 3.29Å; V719-T749 WeakPolarHBondContact CA-O 3.32Å |
| 720 | L | 94.9 | Very high | 89.3 | Confident | 8 Ų | 8 | 34.9 Ų | 34.9 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122 | 177.7 | -175.6 | 64.5 | 0 | 0 | 0 | 109.7 | A637 V639 A712 L722 L745 T749 V750 L751 | A637-L720 HydrophobicContact CB-CD1 4.27Å; V639-L720 HydrophobicContact CG2-CD1 4.45Å; A712-L720 HydrophobicContact CB-CD1 3.97Å; L720-L722 HydrophobicContact CD1-CD2 4.32Å; L720-L722 HydrophobicContact CD2-CD2 4.16Å; L720-L722 HydrophobicContact CG-CD2 3.99Å; L720-L722 HydrophobicContact CG-CG 4.31Å; L720-L745 HydrophobicContact CD2-CD2 4.07Å; L720-T749 PolarHBondContact N-O 3.32Å; L720-V750 HydrophobicContact CB-CG2 4.31Å; L720-V750 WeakPolarHBondContact O-CA 3.02Å; L720-L751 PolarHBondContact O-N 3.14Å |
| 721 | L | 95.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 126.6 | 178.9 | -51.1 | -177.1 | 0 | 0 | 0 | 109.5 | I603 L606 Q607 I636 A637 L638 V639 V719 L751 | I603-L721 HydrophobicContact CD1-CB 4.48Å; I603-L721 HydrophobicContact CG2-CB 4.45Å; I603-L721 HydrophobicContact CG2-CD1 4.1Å; L606-L721 HydrophobicContact CD2-CD1 4.07Å; L606-L721 HydrophobicContact CD2-CD2 3.6Å; L606-L721 HydrophobicContact CD2-CG 4.47Å; L606-L721 HydrophobicContact CG-CD1 4.47Å; Q607-L721 HydrophobicContact CG-CD1 3.8Å; I636-L721 HydrophobicContact CG2-CD1 3.46Å; I636-L721 VanDerWaalsContact CG2-CD1 3.46Å; I636-L721 HydrophobicContact CG2-CG 3.79Å; A637-L721 PolarHBondContact O-N 3.44Å; L638-L721 CarbonylContact C-O 3.51Å; L638-L721 WeakPolarHBondContact CA-O 3.4Å; L638-L721 HydrophobicContact CD1-CB 3.84Å; V639-L721 PolarHBondContact N-O 3.31Å; V719-L721 HydrophobicContact CG1-CD2 3.77Å; V719-L721 HydrophobicContact CG1-CG 4.45Å; L721-L751 WeakPolarHBondContact CA-O 3.41Å; L721-L751 HydrophobicContact CD2-CB 3.77Å; L721-L751 HydrophobicContact CD2-CD2 4.29Å |
| 722 | L | 93.7 | Very high | 88.3 | Confident | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 107.9 | -179.4 | -54.4 | 174.1 | 0 | 0 | 0 | 109.2 | V639 L720 I741 V750 L751 L752 I753 | V639-L722 HydrophobicContact CB-CD2 3.67Å; V639-L722 HydrophobicContact CG1-CD2 4.45Å; V639-L722 HydrophobicContact CG2-CD2 3.73Å; L720-L722 HydrophobicContact CD1-CD2 4.32Å; L720-L722 HydrophobicContact CD2-CD2 4.16Å; L720-L722 HydrophobicContact CG-CD2 3.99Å; L720-L722 HydrophobicContact CG-CG 4.31Å; L722-I741 HydrophobicContact CD1-CD1 4.34Å; L722-I741 HydrophobicContact CD1-CG2 3.49Å; L722-I741 VanDerWaalsContact CD1-CG2 3.49Å; L722-V750 HydrophobicContact CD1-CG1 4.15Å; L722-L751 PolarHBondContact N-O 3.38Å; L722-L752 HydrophobicContact CB-CB 3.81Å; L722-L752 HydrophobicContact CD1-CB 4.07Å; L722-L752 HydrophobicContact CG-CB 4.36Å; L722-L752 CarbonylContact O-C 3.52Å; L722-L752 WeakPolarHBondContact O-CA 3.32Å; L722-I753 PolarHBondContact O-N 3.47Å |
| 723 | D | 93.7 | Very high | 87.9 | Confident | 26 Ų | 26 | 45.1 Ų | 45.1 | 14% | 0.139 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 99.9 | 179.7 | -167.8 | 3.2 | 0 | 0 | 0 | 109.9 | S600 I603 L638 V639 S640 Q641 A725 I753 | S600-D723 WeakPolarHBondContact CB-OD2 3.3Å; S600-D723 PolarHBondContact OG-OD1 3.16Å; S600-D723 VanDerWaalsContact OG-OD1 3.07Å; S600-D723 PolarHBondContact OG-OD2 3.41Å; I603-D723 HydrophobicContact CD1-CB 3.78Å; L638-D723 HydrophobicContact CD1-CB 4.46Å; V639-D723 PolarHBondContact O-N 3.37Å; S640-D723 CarbonylContact C-O 3.43Å; Q641-D723 WeakPolarHBondContact CA-O 3.13Å; Q641-D723 WeakPolarHBondContact CB-O 3.4Å; Q641-D723 PolarHBondContact N-O 2.81Å; D723-A725 PolarHBondContact O-N 2.85Å; D723-I753 VanDerWaalsContact OD1-CD1 3.29Å; D723-I753 WeakPolarHBondContact OD1-CD1 3.38Å |
| 724 | E | 88.9 | Confident | 87.6 | Confident | 34 Ų | 34 | 45.2 Ų | 45.2 | 16% | 0.159 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 48.5 | 33.3 | 176.7 | -61.1 | -170.2 | -179.6 | 0 | 0 | 114.7 | Q641 T726 S727 I753 | Q641-E724 HydrophobicContact CB-CB 4.14Å; Q641-E724 HydrophobicContact CG-CB 3.98Å; Q641-E724 PolarHBondContact NE2-OE2 3.3Å; E724-T726 PolarHBondContact O-N 3.42Å; E724-S727 WeakPolarHBondContact O-CB 3.15Å; E724-S727 PolarHBondContact O-N 2.88Å; E724-S727 PolarHBondContact O-OG 3.22Å; E724-I753 WeakPolarHBondContact CA-O 3.38Å; E724-I753 HydrophobicContact CG-CB 4.27Å; E724-I753 HydrophobicContact CG-CG2 3.63Å; E724-I753 PolarHBondContact N-O 3.09Å; E724-I753 VanDerWaalsContact N-O 3.13Å |
| 725 | A | 81.6 | Confident | 87.5 | Confident | 7 Ų | 7 | 50.5 Ų | 50.5 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -17.2 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | V639 Q705 D723 I741 | V639-A725 HydrophobicContact CG1-CB 4.15Å; Q705-A725 VanDerWaalsContact CG-O 3.25Å; Q705-A725 WeakPolarHBondContact CG-O 3.27Å; Q705-A725 PolarHBondContact NE2-O 2.95Å; Q705-A725 VanDerWaalsContact NE2-O 3.15Å; D723-A725 PolarHBondContact O-N 2.85Å; A725-I741 HydrophobicContact CB-CD1 4.29Å |
| 726 | T | 83.8 | Confident | 87.3 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -5.1 | -178.8 | 58.8 | 0 | 0 | 0 | 0 | 114.3 | E724 A728 L729 V737 Q738 I741 | E724-T726 PolarHBondContact O-N 3.42Å; T726-A728 PolarHBondContact O-N 3.24Å; T726-L729 PolarHBondContact O-N 3.47Å; T726-V737 HydrophobicContact CG2-CG1 3.83Å; T726-Q738 HydrophobicContact CG2-CG 3.73Å; T726-I741 HydrophobicContact CG2-CD1 4.46Å |
| 727 | S | 77.5 | Confident | 87.2 | Confident | 35 Ų | 35 | 40.6 Ų | 40.6 | 25% | 0.245 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -30.9 | -168.1 | 59.4 | 0 | 0 | 0 | 0 | 114.8 | Q641 E724 | Q641-S727 PolarHBondContact NE2-OG 2.76Å; E724-S727 WeakPolarHBondContact O-CB 3.15Å; E724-S727 PolarHBondContact O-N 2.88Å; E724-S727 PolarHBondContact O-OG 3.22Å |
| 728 | A | 77.9 | Confident | 86.9 | Confident | 73 Ų | 73 | 41.2 Ų | 41.2 | 60% | 0.603 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 12.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | T726 | T726-A728 PolarHBondContact O-N 3.24Š|
| 729 | L | 81.9 | Confident | 86.6 | Confident | 16 Ų | 16 | 39.9 Ų | 39.9 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -104.2 | 150.6 | -173.3 | -60.3 | -179.1 | 0 | 0 | 0 | 112.2 | G701 G702 Q705 T726 E734 V737 | G701-L729 VanDerWaalsContact C-CD2 3.45Å; G702-L729 VanDerWaalsContact CA-CD2 3.46Å; G702-L729 VanDerWaalsContact N-CD2 3.27Å; Q705-L729 HydrophobicContact CB-CD1 4.33Å; Q705-L729 HydrophobicContact CG-CD1 4.34Å; T726-L729 PolarHBondContact O-N 3.47Å; L729-E734 HydrophobicContact CB-CB 4.21Å; L729-V737 HydrophobicContact CD1-CB 3.97Å; L729-V737 HydrophobicContact CD1-CG1 4.16Å; L729-V737 HydrophobicContact CD1-CG2 3.69Å |
| 730 | D | 83.8 | Confident | 86.1 | Confident | 90 Ų | 90 | 39.9 Ų | 39.9 | 48% | 0.481 | 23% | 0.226 | S | C | . | . | trans | -65.7 | 159.3 | 164.2 | 64.7 | 92.2 | 0 | 0 | 0 | 110.6 | E732 S733 E734 | D730-E732 VanDerWaalsContact C-N 3.28Å; D730-E732 PolarHBondContact O-N 3.45Å; D730-E732 PolarHBondContact OD1-N 3.26Å; D730-S733 PolarHBondContact O-N 2.9Å; D730-S733 PolarHBondContact OD1-N 3.01Å; D730-S733 PolarHBondContact OD1-OG 3.44Å; D730-S733 WeakPolarHBondContact OD2-CB 3.27Å; D730-S733 PolarHBondContact OD2-OG 3.06Å; D730-E734 VanDerWaalsContact O-CB 3.26Å; D730-E734 WeakPolarHBondContact O-CB 3.24Å; D730-E734 PolarHBondContact O-N 2.96Å | ||
| 731 | A | 83.6 | Confident | 85.6 | Confident | 84 Ų | 84 | 40.1 Ų | 40.1 | 69% | 0.694 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -60 | -33.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114 | F735 | A731-F735 PolarHBondContact O-N 3.14Å; A731-F735 VanDerWaalsContact O-N 3.12Å |
| 732 | E | 84.4 | Confident | 85.2 | Confident | 156 Ų | 156 | 41.9 Ų | 41.9 | 73% | 0.729 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -71.9 | -49.9 | 178.1 | -172.3 | -175.6 | 168.4 | 0 | 0 | 110.4 | D730 E734 F735 V736 | D730-E732 VanDerWaalsContact C-N 3.28Å; D730-E732 PolarHBondContact O-N 3.45Å; D730-E732 PolarHBondContact OD1-N 3.26Å; E732-E734 VanDerWaalsContact C-N 3.28Å; E732-E734 PolarHBondContact O-N 2.93Å; E732-F735 PolarHBondContact O-N 2.96Å; E732-V736 WeakPolarHBondContact O-CG2 3.46Å; E732-V736 PolarHBondContact O-N 2.88Å |
| 733 | S | 83.8 | Confident | 84.8 | Confident | 18 Ų | 18 | 46.7 Ų | 46.7 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 174.2 | -67.5 | 0 | 0 | 0 | 0 | 112.5 | D730 V736 V737 | D730-S733 PolarHBondContact O-N 2.9Å; D730-S733 PolarHBondContact OD1-N 3.01Å; D730-S733 PolarHBondContact OD1-OG 3.44Å; D730-S733 WeakPolarHBondContact OD2-CB 3.27Å; D730-S733 PolarHBondContact OD2-OG 3.06Å; S733-V736 PolarHBondContact O-N 3.3Å; S733-V737 WeakPolarHBondContact O-CB 3.2Å; S733-V737 VanDerWaalsContact O-CG2 3.25Å; S733-V737 WeakPolarHBondContact O-CG2 3.12Å; S733-V737 PolarHBondContact O-N 3.34Å |
| 734 | E | 85.1 | Confident | 84.3 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 8% | 0.084 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.1 | -49.3 | 176.7 | 174.3 | 168.3 | -179.1 | 0 | 0 | 110.8 | L729 D730 E732 V736 V737 Q738 R756 | L729-E734 HydrophobicContact CB-CB 4.21Å; D730-E734 VanDerWaalsContact O-CB 3.26Å; D730-E734 WeakPolarHBondContact O-CB 3.24Å; D730-E734 PolarHBondContact O-N 2.96Å; E732-E734 VanDerWaalsContact C-N 3.28Å; E732-E734 PolarHBondContact O-N 2.93Å; E734-V736 PolarHBondContact O-N 3.44Å; E734-V737 PolarHBondContact O-N 2.8Å; E734-Q738 WeakPolarHBondContact O-CB 3.42Å; E734-Q738 WeakPolarHBondContact O-CG 3.32Å; E734-Q738 PolarHBondContact O-N 3.5Å; E734-R756 WeakPolarHBondContact OE1-CD 3.29Å; E734-R756 VanDerWaalsContact OE1-CG 3.26Å; E734-R756 WeakPolarHBondContact OE1-CG 3.46Å; E734-R756 IonicContact OE1-NE 2.74Å; E734-R756 PolarHBondContact OE1-NE 2.75Å; E734-R756 IonicContact OE2-CZ 3.78Å; E734-R756 IonicContact OE2-NE 2.8Å; E734-R756 PolarHBondContact OE2-NE 3.48Å; E734-R756 IonicContact OE2-NH2 3.44Å; E734-R756 PolarHBondContact OE2-NH2 3.39Å |
| 735 | F | 87.5 | Confident | 84 | Confident | 130 Ų | 130 | 45.7 Ų | 45.7 | 57% | 0.57 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59 | -48.2 | 179.3 | -179.4 | -96 | 0 | 0 | 0 | 112 | A731 E732 V737 Q738 E739 | A731-F735 PolarHBondContact O-N 3.14Å; A731-F735 VanDerWaalsContact O-N 3.12Å; E732-F735 PolarHBondContact O-N 2.96Å; F735-V737 VanDerWaalsContact C-N 3.33Å; F735-V737 PolarHBondContact O-N 3.17Å; F735-Q738 PolarHBondContact O-N 3.5Å; F735-E739 WeakPolarHBondContact O-CB 3.16Å; F735-E739 PolarHBondContact O-N 3.42Å |
| 736 | V | 86.1 | Confident | 84.1 | Confident | 33 Ų | 33 | 49.7 Ų | 49.7 | 20% | 0.2 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.5 | -37.1 | -179.1 | -178.4 | 0 | 0 | 0 | 0 | 111.8 | N676 E732 S733 E734 A740 | N676-V736 HydrophobicContact CB-CG1 3.75Å; N676-V736 PolarHBondContact ND2-O 3.38Å; E732-V736 WeakPolarHBondContact O-CG2 3.46Å; E732-V736 PolarHBondContact O-N 2.88Å; S733-V736 PolarHBondContact O-N 3.3Å; E734-V736 PolarHBondContact O-N 3.44Å; V736-A740 WeakPolarHBondContact O-CB 3.44Å; V736-A740 PolarHBondContact O-N 3.44Å |
| 737 | V | 86 | Confident | 84.1 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.8 | -42.8 | 176.4 | 166.9 | 0 | 0 | 0 | 0 | 111.1 | Q705 R706 I709 T726 L729 S733 E734 F735 A740 I741 | Q705-V737 HydrophobicContact CB-CG2 4.06Å; Q705-V737 HydrophobicContact CG-CG1 3.9Å; Q705-V737 HydrophobicContact CG-CG2 4.28Å; R706-V737 HydrophobicContact CG-CG2 3.75Å; I709-V737 HydrophobicContact CD1-CG1 3.81Å; T726-V737 HydrophobicContact CG2-CG1 3.83Å; L729-V737 HydrophobicContact CD1-CB 3.97Å; L729-V737 HydrophobicContact CD1-CG1 4.16Å; L729-V737 HydrophobicContact CD1-CG2 3.69Å; S733-V737 WeakPolarHBondContact O-CB 3.2Å; S733-V737 VanDerWaalsContact O-CG2 3.25Å; S733-V737 WeakPolarHBondContact O-CG2 3.12Å; S733-V737 PolarHBondContact O-N 3.34Å; E734-V737 PolarHBondContact O-N 2.8Å; F735-V737 VanDerWaalsContact C-N 3.33Å; F735-V737 PolarHBondContact O-N 3.17Å; V737-A740 PolarHBondContact O-N 2.91Å; V737-I741 HydrophobicContact CG1-CD1 3.86Å; V737-I741 VanDerWaalsContact O-CG1 3.27Å; V737-I741 WeakPolarHBondContact O-CG1 3.32Å; V737-I741 PolarHBondContact O-N 3.47Å |
| 738 | Q | 85 | Confident | 84.8 | Confident | 15 Ų | 15 | 52.3 Ų | 52.3 | 7% | 0.07 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.8 | -46 | 174.5 | -79.2 | -171 | -31.9 | 0 | 0 | 111.2 | T726 E734 F735 A740 I741 Y742 S758 T759 | T726-Q738 HydrophobicContact CG2-CG 3.73Å; E734-Q738 WeakPolarHBondContact O-CB 3.42Å; E734-Q738 WeakPolarHBondContact O-CG 3.32Å; E734-Q738 PolarHBondContact O-N 3.5Å; F735-Q738 PolarHBondContact O-N 3.5Å; Q738-A740 VanDerWaalsContact C-N 3.32Å; Q738-A740 PolarHBondContact O-N 3.06Å; Q738-I741 PolarHBondContact O-N 2.89Å; Q738-I741 VanDerWaalsContact O-N 3.12Å; Q738-Y742 HydrophobicContact CB-CD2 4.37Å; Q738-Y742 WeakPolarHBondContact O-CD2 3.33Å; Q738-Y742 PolarHBondContact O-N 3.31Å; Q738-S758 PolarHBondContact NE2-OG 2.85Å; Q738-T759 PolarHBondContact NE2-OG1 2.69Å |
| 739 | E | 87.2 | Confident | 85.6 | Confident | 78 Ų | 78 | 49 Ų | 49 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -57 | -46.7 | 175.8 | -176.6 | 179.6 | -155.8 | 0 | 0 | 111.5 | F735 I741 Y742 N743 | F735-E739 WeakPolarHBondContact O-CB 3.16Å; F735-E739 PolarHBondContact O-N 3.42Å; E739-I741 VanDerWaalsContact C-N 3.28Å; E739-I741 PolarHBondContact O-N 2.72Å; E739-Y742 PolarHBondContact O-N 3.1Å; E739-N743 VanDerWaalsContact CG-ND2 3.31Å; E739-N743 WeakPolarHBondContact CG-ND2 3.13Å; E739-N743 VanDerWaalsContact O-CB 3.26Å; E739-N743 WeakPolarHBondContact O-CB 3.25Å; E739-N743 PolarHBondContact O-N 2.99Å; E739-N743 PolarHBondContact O-ND2 3.03Å |
| 740 | A | 85.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -33.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N676 V736 V737 Q738 N744 | N676-A740 HydrophobicContact CB-CB 4.23Å; V736-A740 WeakPolarHBondContact O-CB 3.44Å; V736-A740 PolarHBondContact O-N 3.44Å; V737-A740 PolarHBondContact O-N 2.91Å; Q738-A740 VanDerWaalsContact C-N 3.32Å; Q738-A740 PolarHBondContact O-N 3.06Å; A740-N744 PolarHBondContact O-ND2 3.37Å |
| 741 | I | 85.2 | Confident | 86.8 | Confident | 12 Ų | 12 | 44 Ų | 44 | 6% | 0.062 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.4 | -59.2 | 176.1 | -70 | 166.7 | 0 | 0 | 0 | 109.6 | I709 L722 A725 T726 V737 Q738 E739 N743 N744 L745 | I709-I741 HydrophobicContact CD1-CD1 4.07Å; I709-I741 HydrophobicContact CD1-CG1 3.68Å; I709-I741 HydrophobicContact CG1-CG1 4.36Å; L722-I741 HydrophobicContact CD1-CD1 4.34Å; L722-I741 HydrophobicContact CD1-CG2 3.49Å; L722-I741 VanDerWaalsContact CD1-CG2 3.49Å; A725-I741 HydrophobicContact CB-CD1 4.29Å; T726-I741 HydrophobicContact CG2-CD1 4.46Å; V737-I741 HydrophobicContact CG1-CD1 3.86Å; V737-I741 VanDerWaalsContact O-CG1 3.27Å; V737-I741 WeakPolarHBondContact O-CG1 3.32Å; V737-I741 PolarHBondContact O-N 3.47Å; Q738-I741 PolarHBondContact O-N 2.89Å; Q738-I741 VanDerWaalsContact O-N 3.12Å; E739-I741 VanDerWaalsContact C-N 3.28Å; E739-I741 PolarHBondContact O-N 2.72Å; I741-N743 PolarHBondContact O-N 3.41Å; I741-N744 CarbonylContact O-C 3.57Å; I741-N744 PolarHBondContact O-N 2.65Å; I741-L745 HydrophobicContact CG2-CD1 4.4Å; I741-L745 HydrophobicContact CG2-CD2 3.7Å; I741-L745 HydrophobicContact CG2-CG 4.28Å; I741-L745 WeakPolarHBondContact O-CD2 3.32Å; I741-L745 VanDerWaalsContact O-CG 3.28Å; I741-L745 WeakPolarHBondContact O-CG 3.27Å; I741-L745 PolarHBondContact O-N 2.75Å |
| 742 | Y | 85.8 | Confident | 87.3 | Confident | 37 Ų | 37 | 40.1 Ų | 40.1 | 15% | 0.145 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.3 | -35.8 | -171.4 | -77.2 | -73.6 | 0 | 0 | 0 | 114 | Q738 E739 N744 L745 T759 R762 | Q738-Y742 HydrophobicContact CB-CD2 4.37Å; Q738-Y742 WeakPolarHBondContact O-CD2 3.33Å; Q738-Y742 PolarHBondContact O-N 3.31Å; E739-Y742 PolarHBondContact O-N 3.1Å; Y742-N744 PolarHBondContact O-N 3.4Å; Y742-N744 VanDerWaalsContact O-N 3.16Å; Y742-L745 HydrophobicContact CD1-CD1 3.46Å; Y742-L745 VanDerWaalsContact CD1-CD1 3.46Å; Y742-L745 HydrophobicContact CD1-CG 4.46Å; Y742-L745 HydrophobicContact CE1-CD1 3.7Å; Y742-L745 HydrophobicContact CG-CD1 4.27Å; Y742-L745 PolarHBondContact O-N 3.16Å; Y742-T759 HydrophobicContact CE2-CG2 4.47Å; Y742-T759 VanDerWaalsContact OH-CA 3.27Å; Y742-T759 WeakPolarHBondContact OH-CA 3.33Å; Y742-T759 WeakPolarHBondContact OH-CG2 3.2Å; Y742-T759 PolarHBondContact OH-O 3.44Å; Y742-R762 HydrophobicContact CD1-CB 4.08Å; Y742-R762 HydrophobicContact CE1-CB 3.35Å; Y742-R762 HydrophobicContact CE1-CG 4.2Å; Y742-R762 HydrophobicContact CE2-CB 4.46Å |
| 743 | N | 86.2 | Confident | 87.7 | Confident | 109 Ų | 109 | 32.9 Ų | 32.9 | 58% | 0.583 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -16.8 | 176.8 | -70.3 | -11.1 | 0 | 0 | 0 | 112.8 | E739 I741 | E739-N743 VanDerWaalsContact CG-ND2 3.31Å; E739-N743 WeakPolarHBondContact CG-ND2 3.13Å; E739-N743 VanDerWaalsContact O-CB 3.26Å; E739-N743 WeakPolarHBondContact O-CB 3.25Å; E739-N743 PolarHBondContact O-N 2.99Å; E739-N743 PolarHBondContact O-ND2 3.03Å; I741-N743 PolarHBondContact O-N 3.41Å |
| 744 | N | 83.6 | Confident | 87.7 | Confident | 24 Ų | 24 | 32.3 Ų | 32.3 | 13% | 0.128 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | 10.7 | -175.9 | -64.4 | -75.3 | 0 | 0 | 0 | 113.7 | L674 L713 A740 I741 Y742 A746 H748 | L674-N744 WeakPolarHBondContact CB-OD1 3.41Å; L674-N744 WeakPolarHBondContact CD2-OD1 3.49Å; L674-N744 PolarHBondContact O-ND2 3.09Å; L713-N744 HydrophobicContact CD1-CB 3.88Å; L713-N744 HydrophobicContact CD2-CB 4.18Å; A740-N744 PolarHBondContact O-ND2 3.37Å; I741-N744 CarbonylContact O-C 3.57Å; I741-N744 PolarHBondContact O-N 2.65Å; Y742-N744 PolarHBondContact O-N 3.4Å; Y742-N744 VanDerWaalsContact O-N 3.16Å; N744-A746 VanDerWaalsContact C-N 3.33Å; N744-H748 PolarHBondContact O-CD2 3.11Å |
| 745 | L | 82.4 | Confident | 87.5 | Confident | 14 Ų | 14 | 36.5 Ų | 36.5 | 7% | 0.073 | 21% | 0.208 | C | C | . | . | trans | -76.7 | -22.3 | 176.9 | -60.8 | -176.1 | 0 | 0 | 0 | 112.7 | T588 L720 I741 Y742 G747 H748 V750 | T588-L745 HydrophobicContact CG2-CD1 4.2Å; L720-L745 HydrophobicContact CD2-CD2 4.07Å; I741-L745 HydrophobicContact CG2-CD1 4.4Å; I741-L745 HydrophobicContact CG2-CD2 3.7Å; I741-L745 HydrophobicContact CG2-CG 4.28Å; I741-L745 WeakPolarHBondContact O-CD2 3.32Å; I741-L745 VanDerWaalsContact O-CG 3.28Å; I741-L745 WeakPolarHBondContact O-CG 3.27Å; I741-L745 PolarHBondContact O-N 2.75Å; Y742-L745 HydrophobicContact CD1-CD1 3.46Å; Y742-L745 VanDerWaalsContact CD1-CD1 3.46Å; Y742-L745 HydrophobicContact CD1-CG 4.46Å; Y742-L745 HydrophobicContact CE1-CD1 3.7Å; Y742-L745 HydrophobicContact CG-CD1 4.27Å; Y742-L745 PolarHBondContact O-N 3.16Å; L745-G747 PolarHBondContact O-N 2.77Å; L745-H748 PolarHBondContact O-N 3.3Å; L745-V750 HydrophobicContact CB-CG2 4.22Å; L745-V750 HydrophobicContact CD2-CB 4.45Å; L745-V750 HydrophobicContact CD2-CG1 4.03Å; L745-V750 HydrophobicContact CD2-CG2 3.66Å; L745-V750 HydrophobicContact CG-CG2 4.34Å | ||
| 746 | A | 82.9 | Confident | 87.2 | Confident | 91 Ų | 91 | 35 Ų | 35 | 75% | 0.752 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 121.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N744 | N744-A746 VanDerWaalsContact C-N 3.33Š|
| 747 | G | 84.7 | Confident | 86.9 | Confident | 64 Ų | 64 | 35.2 Ų | 35.2 | 66% | 0.66 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | 1.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L745 | L745-G747 PolarHBondContact O-N 2.77Š|
| 748 | H | 92.3 | Very high | 86.5 | Confident | 36 Ų | 36 | 37.5 Ų | 37.5 | 17% | 0.167 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -106.8 | 143 | 173.7 | -58.4 | -77.1 | 0 | 0 | 0 | 110.5 | G586 P717 N744 L745 V750 | G586-H748 WeakPolarHBondContact CA-O 3.4Å; P717-H748 PolarHBondContact O-CE1 3.48Å; P717-H748 PolarHBondContact O-ND1 3.19Å; N744-H748 PolarHBondContact O-CD2 3.11Å; L745-H748 PolarHBondContact O-N 3.3Å; H748-V750 HydrophobicContact CB-CG2 4.07Å |
| 749 | T | 95.3 | Very high | 86.3 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 125.7 | 162.9 | -56.8 | 0 | 0 | 0 | 0 | 108.5 | G556 V583 P585 G586 K718 V719 L720 | G556-T749 WeakPolarHBondContact O-CB 3.43Å; G556-T749 WeakPolarHBondContact O-CG2 3.39Å; G556-T749 PolarHBondContact O-OG1 3.03Å; V583-T749 HydrophobicContact CB-CG2 4.06Å; V583-T749 HydrophobicContact CG1-CG2 3.34Å; P585-T749 WeakPolarHBondContact CA-OG1 3.38Å; G586-T749 PolarHBondContact N-OG1 3Å; G586-T749 VanDerWaalsContact N-OG1 3.11Å; K718-T749 PolarHBondContact O-N 3.11Å; V719-T749 CarbonylContact C-O 3.1Å; V719-T749 VanDerWaalsContact CA-O 3.29Å; V719-T749 WeakPolarHBondContact CA-O 3.32Å; L720-T749 PolarHBondContact N-O 3.32Å |
| 750 | V | 94.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 123.9 | -169.5 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | E587 T588 V589 L720 L722 L745 H748 L752 | E587-V750 PolarHBondContact O-N 3.1Å; T588-V750 WeakPolarHBondContact CA-O 3.43Å; T588-V750 HydrophobicContact CG2-CB 4.07Å; T588-V750 HydrophobicContact CG2-CG1 4.05Å; V589-V750 PolarHBondContact N-O 2.91Å; L720-V750 HydrophobicContact CB-CG2 4.31Å; L720-V750 WeakPolarHBondContact O-CA 3.02Å; L722-V750 HydrophobicContact CD1-CG1 4.15Å; L745-V750 HydrophobicContact CB-CG2 4.22Å; L745-V750 HydrophobicContact CD2-CB 4.45Å; L745-V750 HydrophobicContact CD2-CG1 4.03Å; L745-V750 HydrophobicContact CD2-CG2 3.66Å; L745-V750 HydrophobicContact CG-CG2 4.34Å; H748-V750 HydrophobicContact CB-CG2 4.07Å; V750-L752 HydrophobicContact CG1-CB 4.42Å; V750-L752 HydrophobicContact CG1-CD2 4.27Å |
| 751 | L | 95.3 | Very high | 86.2 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 109.5 | 170.2 | -177.5 | 66 | 0 | 0 | 0 | 108.2 | F581 V583 V589 L591 L606 L720 L721 L722 | F581-L751 HydrophobicContact CE2-CD1 4.07Å; V583-L751 HydrophobicContact CG2-CD1 4.2Å; V589-L751 HydrophobicContact CB-CD1 4.25Å; V589-L751 HydrophobicContact CG1-CD1 4.12Å; L591-L751 HydrophobicContact CD1-CD1 4.05Å; L591-L751 HydrophobicContact CD1-CD2 4.41Å; L591-L751 HydrophobicContact CD1-CG 4.34Å; L591-L751 HydrophobicContact CD2-CD1 3.95Å; L591-L751 HydrophobicContact CG-CD1 3.75Å; L591-L751 HydrophobicContact CG-CG 4.45Å; L606-L751 HydrophobicContact CD2-CD2 4.17Å; L720-L751 PolarHBondContact O-N 3.14Å; L721-L751 WeakPolarHBondContact CA-O 3.41Å; L721-L751 HydrophobicContact CD2-CB 3.77Å; L721-L751 HydrophobicContact CD2-CD2 4.29Å; L722-L751 PolarHBondContact N-O 3.38Å |
| 752 | L | 93.2 | Very high | 86.2 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 143.1 | -176.6 | 70 | 86.5 | 0 | 0 | 0 | 111.7 | T588 V589 A590 L591 L722 V750 A754 T759 | T588-L752 HydrophobicContact CG2-CD2 3.7Å; V589-L752 PolarHBondContact O-N 2.84Å; A590-L752 CarbonylContact C-O 3.58Å; A590-L752 VanDerWaalsContact CA-O 3.31Å; A590-L752 WeakPolarHBondContact CA-O 3.49Å; A590-L752 HydrophobicContact CB-CD1 3.66Å; A590-L752 HydrophobicContact CB-CG 4.21Å; L591-L752 PolarHBondContact N-O 2.89Å; L722-L752 HydrophobicContact CB-CB 3.81Å; L722-L752 HydrophobicContact CD1-CB 4.07Å; L722-L752 HydrophobicContact CG-CB 4.36Å; L722-L752 CarbonylContact O-C 3.52Å; L722-L752 WeakPolarHBondContact O-CA 3.32Å; V750-L752 HydrophobicContact CG1-CB 4.42Å; V750-L752 HydrophobicContact CG1-CD2 4.27Å; L752-A754 HydrophobicContact CD1-CB 3.49Å; L752-A754 VanDerWaalsContact CD1-CB 3.49Å; L752-T759 HydrophobicContact CD1-CG2 3.78Å; L752-T759 HydrophobicContact CD2-CG2 4.3Å |
| 753 | I | 93.6 | Very high | 86.4 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 115.1 | 169.2 | -61.1 | 172 | 0 | 0 | 0 | 106.4 | L591 K599 I603 L722 D723 E724 | L591-I753 HydrophobicContact CB-CG1 4.18Å; L591-I753 HydrophobicContact CD1-CG1 4.34Å; K599-I753 HydrophobicContact CB-CD1 3.72Å; K599-I753 HydrophobicContact CB-CG1 3.99Å; K599-I753 HydrophobicContact CB-CG2 3.99Å; K599-I753 HydrophobicContact CD-CG2 3.92Å; K599-I753 WeakPolarHBondContact O-CD1 3.27Å; I603-I753 HydrophobicContact CD1-CD1 3.37Å; I603-I753 HydrophobicContact CD1-CG1 3.82Å; I603-I753 HydrophobicContact CG1-CD1 3.94Å; I603-I753 HydrophobicContact CG1-CG1 4.49Å; L722-I753 PolarHBondContact O-N 3.47Å; D723-I753 VanDerWaalsContact OD1-CD1 3.29Å; D723-I753 WeakPolarHBondContact OD1-CD1 3.38Å; E724-I753 WeakPolarHBondContact CA-O 3.38Å; E724-I753 HydrophobicContact CG-CB 4.27Å; E724-I753 HydrophobicContact CG-CG2 3.63Å; E724-I753 PolarHBondContact N-O 3.09Å; E724-I753 VanDerWaalsContact N-O 3.13Å |
| 754 | A | 84.7 | Confident | 86.7 | Confident | 6 Ų | 6 | 42.6 Ų | 42.6 | 5% | 0.05 | 24% | 0.236 | C | C | . | . | trans | -116.7 | 131.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L591 L752 T759 V760 | L591-A754 PolarHBondContact O-N 3.28Å; L752-A754 HydrophobicContact CD1-CB 3.49Å; L752-A754 VanDerWaalsContact CD1-CB 3.49Å; A754-T759 HydrophobicContact CB-CG2 3.84Å; A754-V760 HydrophobicContact CB-CG2 3.44Å; A754-V760 VanDerWaalsContact CB-CG2 3.44Å | ||
| 755 | H | 81 | Confident | 87.2 | Confident | 106 Ų | 106 | 43.1 Ų | 43.1 | 49% | 0.491 | 24% | 0.236 | S | C | . | . | trans | -93.1 | -37.8 | 163.7 | -166.1 | -95.1 | 0 | 0 | 0 | 110.4 | Q797 | H755-Q797 PolarHBondContact O-NE2 3.36Å; H755-Q797 PolarHBondContact O-OE1 3.41Å | ||
| 756 | R | 80.5 | Confident | 87.8 | Confident | 100 Ų | 100 | 42.4 Ų | 42.4 | 38% | 0.377 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -82.2 | 135.3 | -172.8 | -65.1 | -81.6 | -156.3 | -152.4 | -3.8 | 113.2 | E734 S758 T759 V760 | E734-R756 WeakPolarHBondContact OE1-CD 3.29Å; E734-R756 VanDerWaalsContact OE1-CG 3.26Å; E734-R756 WeakPolarHBondContact OE1-CG 3.46Å; E734-R756 IonicContact OE1-NE 2.74Å; E734-R756 PolarHBondContact OE1-NE 2.75Å; E734-R756 IonicContact OE2-CZ 3.78Å; E734-R756 IonicContact OE2-NE 2.8Å; E734-R756 PolarHBondContact OE2-NE 3.48Å; E734-R756 IonicContact OE2-NH2 3.44Å; E734-R756 PolarHBondContact OE2-NH2 3.39Å; R756-S758 VanDerWaalsContact C-N 3.3Å; R756-S758 PolarHBondContact O-N 2.87Å; R756-T759 PolarHBondContact O-N 3.35Å; R756-T759 VanDerWaalsContact O-N 3.13Å; R756-V760 WeakPolarHBondContact O-CG2 3.34Å; R756-V760 PolarHBondContact O-N 3.49Å |
| 757 | L | 79.5 | Confident | 88.4 | Confident | 37 Ų | 37 | 38.1 Ų | 38.1 | 19% | 0.194 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -50.6 | -44.3 | 174.8 | 175.1 | 62.1 | 0 | 0 | 0 | 113.3 | T759 V760 E761 I794 Q797 L798 | L757-T759 VanDerWaalsContact C-N 3.26Å; L757-T759 PolarHBondContact O-N 3.38Å; L757-V760 PolarHBondContact O-N 3.47Å; L757-E761 WeakPolarHBondContact O-CB 3.38Å; L757-E761 PolarHBondContact O-N 3.31Å; L757-I794 HydrophobicContact CD1-CD1 3.71Å; L757-I794 HydrophobicContact CD1-CG1 4.26Å; L757-I794 HydrophobicContact CD1-CG2 4.01Å; L757-I794 HydrophobicContact CD2-CG2 4.27Å; L757-Q797 VanDerWaalsContact N-OE1 3.15Å; L757-L798 HydrophobicContact CD2-CD2 3.74Å; L757-L798 HydrophobicContact CD2-CG 4.21Å |
| 758 | S | 78 | Confident | 88.9 | Confident | 47 Ų | 47 | 35 Ų | 35 | 33% | 0.329 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60.4 | -31.1 | -178.8 | 53.2 | 0 | 0 | 0 | 0 | 114 | Q738 R756 | Q738-S758 PolarHBondContact NE2-OG 2.85Å; R756-S758 VanDerWaalsContact C-N 3.3Å; R756-S758 PolarHBondContact O-N 2.87Å |
| 759 | T | 81.2 | Confident | 88.9 | Confident | 14 Ų | 14 | 33.3 Ų | 33.3 | 9% | 0.086 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -79 | -37.9 | 174.6 | -45.2 | 0 | 0 | 0 | 0 | 111.1 | Q738 Y742 L752 A754 R756 L757 | Q738-T759 PolarHBondContact NE2-OG1 2.69Å; Y742-T759 HydrophobicContact CE2-CG2 4.47Å; Y742-T759 VanDerWaalsContact OH-CA 3.27Å; Y742-T759 WeakPolarHBondContact OH-CA 3.33Å; Y742-T759 WeakPolarHBondContact OH-CG2 3.2Å; Y742-T759 PolarHBondContact OH-O 3.44Å; L752-T759 HydrophobicContact CD1-CG2 3.78Å; L752-T759 HydrophobicContact CD2-CG2 4.3Å; A754-T759 HydrophobicContact CB-CG2 3.84Å; R756-T759 PolarHBondContact O-N 3.35Å; R756-T759 VanDerWaalsContact O-N 3.13Å; L757-T759 VanDerWaalsContact C-N 3.26Å; L757-T759 PolarHBondContact O-N 3.38Å |
| 760 | V | 84.1 | Confident | 88.8 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.7 | -39.6 | -177.4 | -179 | 0 | 0 | 0 | 0 | 111.7 | V592 A754 R756 L757 R762 A763 I766 Y790 | V592-V760 HydrophobicContact CG2-CG1 3.93Å; V592-V760 HydrophobicContact CG2-CG2 3.71Å; A754-V760 HydrophobicContact CB-CG2 3.44Å; A754-V760 VanDerWaalsContact CB-CG2 3.44Å; R756-V760 WeakPolarHBondContact O-CG2 3.34Å; R756-V760 PolarHBondContact O-N 3.49Å; L757-V760 PolarHBondContact O-N 3.47Å; V760-R762 PolarHBondContact O-N 2.95Å; V760-A763 WeakPolarHBondContact O-CB 3.41Å; V760-A763 PolarHBondContact O-N 3.49Å; V760-A763 VanDerWaalsContact O-N 3.16Å; V760-I766 HydrophobicContact CG1-CD1 3.45Å; V760-I766 VanDerWaalsContact CG1-CD1 3.45Å; V760-I766 HydrophobicContact CG1-CG1 3.82Å; V760-I766 HydrophobicContact CG1-CG2 4.29Å; V760-Y790 HydrophobicContact CG1-CE2 3.77Å; V760-Y790 WeakPolarHBondContact CG1-OH 3.41Å |
| 761 | E | 86.1 | Confident | 88.5 | Confident | 114 Ų | 114 | 38.4 Ų | 38.4 | 53% | 0.533 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.3 | -31.9 | -177.7 | -175 | 179.7 | -177.8 | 0 | 0 | 112.8 | L757 | L757-E761 WeakPolarHBondContact O-CB 3.38Å; L757-E761 PolarHBondContact O-N 3.31Å |
| 762 | R | 85.4 | Confident | 88.3 | Confident | 131 Ų | 131 | 38.4 Ų | 38.4 | 49% | 0.494 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -2.5 | -179.2 | -65.7 | -178.9 | 177.6 | -176 | 1 | 114.4 | Y742 V760 | Y742-R762 HydrophobicContact CD1-CB 4.08Å; Y742-R762 HydrophobicContact CE1-CB 3.35Å; Y742-R762 HydrophobicContact CE1-CG 4.2Å; Y742-R762 HydrophobicContact CE2-CB 4.46Å; V760-R762 PolarHBondContact O-N 2.95Å |
| 763 | A | 89.7 | Confident | 88.4 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 7% | 0.066 | 23% | 0.23 | C | C | . | . | trans | -80.2 | 141.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | T588 A590 V760 R765 I766 | T588-A763 HydrophobicContact CG2-CB 4.4Å; A590-A763 HydrophobicContact CB-CB 3.6Å; V760-A763 WeakPolarHBondContact O-CB 3.41Å; V760-A763 PolarHBondContact O-N 3.49Å; V760-A763 VanDerWaalsContact O-N 3.16Å; A763-R765 VanDerWaalsContact C-N 3.28Å; A763-R765 PolarHBondContact O-N 3.27Å; A763-I766 HydrophobicContact CB-CG1 4.41Å | ||
| 764 | D | 92.7 | Very high | 88.4 | Confident | 91 Ų | 91 | 47.2 Ų | 47.2 | 49% | 0.487 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -65.1 | -37.5 | 178.1 | -59.1 | -54.1 | 0 | 0 | 0 | 111 | E587 T588 | E587-D764 HydrophobicContact CG-CB 4.05Å; T588-D764 WeakPolarHBondContact CB-OD2 3.3Å; T588-D764 PolarHBondContact N-OD2 3.43Å; T588-D764 PolarHBondContact O-N 2.95Å |
| 765 | R | 94.8 | Very high | 88.8 | Confident | 34 Ų | 34 | 50.8 Ų | 50.8 | 13% | 0.128 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 144.9 | 177 | 178.6 | 166.2 | 52.5 | 128.2 | -2.7 | 111.4 | D582 E587 T588 V589 A590 A763 | D582-R765 PolarHBondContact O-NH1 3.35Å; D582-R765 PolarHBondContact O-NH2 3.3Å; D582-R765 IonicContact OD1-CZ 3.73Å; D582-R765 IonicContact OD1-NH1 3.14Å; D582-R765 PolarHBondContact OD1-NH1 3.23Å; D582-R765 VanDerWaalsContact OD1-NH1 3.14Å; D582-R765 IonicContact OD1-NH2 3.44Å; D582-R765 PolarHBondContact OD1-NH2 2.91Å; E587-R765 WeakPolarHBondContact OE1-CB 3.14Å; E587-R765 IonicContact OE1-CZ 3.38Å; E587-R765 IonicContact OE1-NE 2.82Å; E587-R765 PolarHBondContact OE1-NE 2.88Å; E587-R765 IonicContact OE1-NH2 3.02Å; E587-R765 PolarHBondContact OE1-NH2 3.36Å; E587-R765 IonicContact OE2-NH2 3Å; E587-R765 PolarHBondContact OE2-NH2 2.97Å; T588-R765 PolarHBondContact O-N 3.44Å; V589-R765 CarbonylContact C-O 3.58Å; V589-R765 VanDerWaalsContact CA-O 3.29Å; V589-R765 WeakPolarHBondContact CA-O 3.49Å; V589-R765 HydrophobicContact CG2-CB 4.28Å; A590-R765 PolarHBondContact N-O 2.9Å; A763-R765 VanDerWaalsContact C-N 3.28Å; A763-R765 PolarHBondContact O-N 3.27Å |
| 766 | I | 94.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 132.2 | -178.9 | -58.9 | 160.2 | 0 | 0 | 0 | 108.3 | A590 V592 V760 A763 V768 Q777 G778 H780 L783 Y790 | A590-I766 HydrophobicContact CB-CG1 4.34Å; A590-I766 CarbonylContact O-C 3.39Å; A590-I766 WeakPolarHBondContact O-CA 3.4Å; V592-I766 HydrophobicContact CB-CG2 4.19Å; V592-I766 HydrophobicContact CG2-CG2 3.79Å; V760-I766 HydrophobicContact CG1-CD1 3.45Å; V760-I766 VanDerWaalsContact CG1-CD1 3.45Å; V760-I766 HydrophobicContact CG1-CG1 3.82Å; V760-I766 HydrophobicContact CG1-CG2 4.29Å; A763-I766 HydrophobicContact CB-CG1 4.41Å; I766-V768 HydrophobicContact CG2-CG2 4.15Å; I766-Q777 VanDerWaalsContact O-CA 3.28Å; I766-Q777 WeakPolarHBondContact O-CA 3.41Å; I766-G778 PolarHBondContact N-O 3.28Å; I766-G778 PolarHBondContact O-N 2.88Å; I766-G778 VanDerWaalsContact O-N 3.11Å; I766-H780 HydrophobicContact CD1-CB 3.93Å; I766-L783 HydrophobicContact CB-CD1 3.69Å; I766-L783 HydrophobicContact CD1-CD1 4.33Å; I766-L783 HydrophobicContact CG2-CD1 3.8Å; I766-Y790 HydrophobicContact CD1-CE2 4.08Å; I766-Y790 WeakPolarHBondContact CD1-OH 3.2Å; I766-Y790 HydrophobicContact CG2-CD2 4.2Å; I766-Y790 HydrophobicContact CG2-CE2 3.91Å |
| 767 | V | 95.1 | Very high | 90 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 117.1 | 175 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | F581 V589 A590 L591 V592 I769 I774 Q777 | F581-V767 HydrophobicContact CB-CG2 4.49Å; V589-V767 HydrophobicContact CG1-CG2 3.8Å; A590-V767 PolarHBondContact O-N 3.26Å; L591-V767 WeakPolarHBondContact CA-O 3.45Å; L591-V767 HydrophobicContact CD2-CB 3.78Å; L591-V767 HydrophobicContact CD2-CG1 4.13Å; L591-V767 HydrophobicContact CD2-CG2 4.43Å; V592-V767 PolarHBondContact N-O 3.44Å; V767-I769 HydrophobicContact CG1-CG1 4.14Å; V767-I774 HydrophobicContact CG1-CD1 4.21Å; V767-I774 HydrophobicContact CG1-CG1 4.04Å; V767-I774 HydrophobicContact CG1-CG2 4.12Å; V767-Q777 HydrophobicContact CB-CG 4.39Å; V767-Q777 HydrophobicContact CG1-CG 4.14Å; V767-Q777 HydrophobicContact CG2-CG 4.1Å |
| 768 | V | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 114.9 | -175.8 | -172.8 | 0 | 0 | 0 | 0 | 109.3 | V592 I766 V775 Q776 L783 L789 Y790 | V592-V768 CarbonylContact O-C 3.51Å; V592-V768 VanDerWaalsContact O-CA 3.28Å; V592-V768 WeakPolarHBondContact O-CA 3.22Å; I766-V768 HydrophobicContact CG2-CG2 4.15Å; V768-V775 PolarHBondContact O-N 3.17Å; V768-Q776 HydrophobicContact CB-CB 4.05Å; V768-Q776 HydrophobicContact CG2-CB 4.02Å; V768-Q776 PolarHBondContact N-O 3.03Å; V768-L783 HydrophobicContact CG2-CD1 3.99Å; V768-L789 HydrophobicContact CG1-CB 4.35Å; V768-L789 HydrophobicContact CG1-CD2 3.97Å; V768-L789 HydrophobicContact CG1-CG 4.37Å; V768-Y790 HydrophobicContact CG2-CD2 3.97Å; V768-Y790 HydrophobicContact CG2-CG 4.33Å |
| 769 | I | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 126.3 | -177 | -52.6 | 179 | 0 | 0 | 0 | 110 | L591 V592 G593 S597 V767 R773 I774 | L591-I769 HydrophobicContact CD1-CD1 4.42Å; L591-I769 HydrophobicContact CD2-CD1 4.18Å; V592-I769 PolarHBondContact O-N 3.26Å; G593-I769 WeakPolarHBondContact CA-O 3.26Å; S597-I769 WeakPolarHBondContact CB-O 3.48Å; S597-I769 WeakPolarHBondContact O-CG2 3.17Å; S597-I769 PolarHBondContact OG-O 2.99Å; V767-I769 HydrophobicContact CG1-CG1 4.14Å; I769-R773 CarbonylContact C-O 3.58Å; I769-R773 WeakPolarHBondContact CA-O 3.47Å; I769-I774 HydrophobicContact CG1-CG1 4.45Å |
| 770 | S | 92.4 | Very high | 91.8 | Very high | 39 Ų | 39 | 44.4 Ų | 44.4 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 137.5 | 174.9 | -164.8 | 0 | 0 | 0 | 0 | 111 | G772 R773 | S770-G772 PolarHBondContact O-N 3.37Å; S770-G772 VanDerWaalsContact O-N 3.13Å; S770-R773 PolarHBondContact N-O 3.22Å; S770-R773 PolarHBondContact O-N 3.35Å; S770-R773 VanDerWaalsContact O-O 3.12Å |
| 771 | G | 89.6 | Confident | 92.1 | Very high | 70 Ų | 70 | 49.1 Ų | 49.1 | 72% | 0.722 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 31 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R773 | G771-R773 VanDerWaalsContact C-N 3.29Å; G771-R773 PolarHBondContact O-N 2.97Å |
| 772 | G | 91.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 7 | -177 | 0 | 0 | 0 | 0 | 0 | 115.5 | V575 N577 V579 S770 | V575-G772 WeakPolarHBondContact O-CA 3.48Å; N577-G772 PolarHBondContact N-O 3.5Å; V579-G772 WeakPolarHBondContact CG2-O 3.17Å; S770-G772 PolarHBondContact O-N 3.37Å; S770-G772 VanDerWaalsContact O-N 3.13Å |
| 773 | R | 94.2 | Very high | 92.5 | Very high | 145 Ų | 145 | 42 Ų | 42 | 55% | 0.547 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 154.1 | 177.4 | -60.5 | -172.8 | -177.5 | -172.9 | 0.5 | 111.2 | N577 I769 S770 G771 | N577-R773 HydrophobicContact CB-CG 4.11Å; N577-R773 PolarHBondContact ND2-NE 2.91Å; N577-R773 PolarHBondContact ND2-NH2 3.16Å; N577-R773 WeakPolarHBondContact O-CG 3.23Å; I769-R773 CarbonylContact C-O 3.58Å; I769-R773 WeakPolarHBondContact CA-O 3.47Å; S770-R773 PolarHBondContact N-O 3.22Å; S770-R773 PolarHBondContact O-N 3.35Å; S770-R773 VanDerWaalsContact O-O 3.12Å; G771-R773 VanDerWaalsContact C-N 3.29Å; G771-R773 PolarHBondContact O-N 2.97Å |
| 774 | I | 93.6 | Very high | 92.4 | Very high | 45 Ų | 45 | 44.5 Ų | 44.5 | 23% | 0.231 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 123.5 | 170.6 | -62.9 | 168.2 | 0 | 0 | 0 | 108.1 | V579 S580 F581 V767 I769 Q777 | V579-I774 HydrophobicContact CG1-CD1 3.75Å; V579-I774 HydrophobicContact CG1-CG1 3.99Å; S580-I774 WeakPolarHBondContact O-CD1 3.34Å; F581-I774 HydrophobicContact CB-CD1 4.1Å; F581-I774 HydrophobicContact CD1-CD1 4.03Å; V767-I774 HydrophobicContact CG1-CD1 4.21Å; V767-I774 HydrophobicContact CG1-CG1 4.04Å; V767-I774 HydrophobicContact CG1-CG2 4.12Å; I769-I774 HydrophobicContact CG1-CG1 4.45Å; I774-Q777 HydrophobicContact CG2-CG 3.62Å |
| 775 | V | 93.2 | Very high | 92.2 | Very high | 82 Ų | 82 | 44.8 Ų | 44.8 | 50% | 0.497 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -37.1 | -178.2 | -171.6 | 0 | 0 | 0 | 0 | 111.6 | V768 | V768-V775 PolarHBondContact O-N 3.17Å |
| 776 | Q | 93 | Very high | 91.8 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 9% | 0.093 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 150.2 | 179 | -56.3 | 179.3 | -86.1 | 0 | 0 | 110 | V768 L783 L789 Y790 | V768-Q776 HydrophobicContact CB-CB 4.05Å; V768-Q776 HydrophobicContact CG2-CB 4.02Å; V768-Q776 PolarHBondContact N-O 3.03Å; Q776-L783 HydrophobicContact CB-CD2 3.71Å; Q776-L789 VanDerWaalsContact OE1-N 3.08Å; Q776-Y790 VanDerWaalsContact OE1-N 3.1Å |
| 777 | Q | 93.2 | Very high | 91.4 | Very high | 73 Ų | 73 | 56 Ų | 56 | 34% | 0.341 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 143 | 169.3 | -62.2 | -171.1 | 2 | 0 | 0 | 109.6 | I766 V767 I774 | I766-Q777 VanDerWaalsContact O-CA 3.28Å; I766-Q777 WeakPolarHBondContact O-CA 3.41Å; V767-Q777 HydrophobicContact CB-CG 4.39Å; V767-Q777 HydrophobicContact CG1-CG 4.14Å; V767-Q777 HydrophobicContact CG2-CG 4.1Å; I774-Q777 HydrophobicContact CG2-CG 3.62Å |
| 778 | G | 93.5 | Very high | 91 | Very high | 7 Ų | 7 | 57 Ų | 57 | 7% | 0.072 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.4 | -175.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I766 E782 | I766-G778 PolarHBondContact N-O 3.28Å; I766-G778 PolarHBondContact O-N 2.88Å; I766-G778 VanDerWaalsContact O-N 3.11Å; G778-E782 WeakPolarHBondContact CA-OE2 3.44Å |
| 779 | T | 92.6 | Very high | 90.7 | Very high | 43 Ų | 43 | 59.3 Ų | 59.3 | 26% | 0.264 | 33% | 0.332 | S | S | . | . | trans | -75.1 | 165.5 | 170.8 | 66.7 | 0 | 0 | 0 | 0 | 111.1 | T781 E782 L783 | T779-T781 VanDerWaalsContact C-N 3.3Å; T779-T781 PolarHBondContact O-N 3.44Å; T779-T781 PolarHBondContact OG1-OG1 3.01Å; T779-E782 PolarHBondContact N-OE2 2.94Å; T779-E782 PolarHBondContact O-N 3.48Å; T779-E782 WeakPolarHBondContact OG1-CB 3.24Å; T779-E782 WeakPolarHBondContact OG1-CG 3.31Å; T779-E782 PolarHBondContact OG1-N 3.24Å; T779-E782 PolarHBondContact OG1-OE1 3.04Å; T779-E782 PolarHBondContact OG1-OE2 3.45Å; T779-L783 WeakPolarHBondContact O-CG 3.47Å; T779-L783 PolarHBondContact O-N 3.44Å | ||
| 780 | H | 90.6 | Very high | 90.4 | Very high | 27 Ų | 27 | 59.3 Ų | 59.3 | 13% | 0.125 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -54.3 | -45.4 | 177.6 | 177.8 | 63 | 0 | 0 | 0 | 112.7 | I766 L784 Y790 | I766-H780 HydrophobicContact CD1-CB 3.93Å; H780-L784 VanDerWaalsContact CE1-CD1 3.47Å; H780-L784 WeakPolarHBondContact CE1-CD1 3.33Å; H780-L784 VanDerWaalsContact NE2-CD1 3.28Å; H780-L784 WeakPolarHBondContact NE2-CD1 3.37Å; H780-L784 WeakPolarHBondContact O-CG 3.1Å; H780-L784 PolarHBondContact O-N 3.47Å; H780-L784 VanDerWaalsContact O-N 3.13Å; H780-Y790 PolarHBondContact CE1-OH 2.9Å; H780-Y790 AromaticContact ND1-CE1 3.82Å; H780-Y790 AromaticContact ND1-CZ 3.74Å; H780-Y790 PolarHBondContact ND1-OH 2.77Å |
| 781 | T | 90.2 | Very high | 90.2 | Very high | 101 Ų | 101 | 61.2 Ų | 61.2 | 62% | 0.62 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -69.3 | -40.6 | -178.8 | 50.7 | 0 | 0 | 0 | 0 | 112.1 | T779 L784 S785 | T779-T781 VanDerWaalsContact C-N 3.3Å; T779-T781 PolarHBondContact O-N 3.44Å; T779-T781 PolarHBondContact OG1-OG1 3.01Å; T781-L784 PolarHBondContact O-N 2.93Å; T781-S785 PolarHBondContact O-N 2.95Å; T781-S785 VanDerWaalsContact O-N 3.17Å |
| 782 | E | 90.9 | Very high | 90.1 | Very high | 94 Ų | 94 | 62.9 Ų | 62.9 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.1 | -48 | 175.3 | -74.7 | 163.4 | -166.7 | 0 | 0 | 111.5 | G778 T779 L784 S785 Q786 | G778-E782 WeakPolarHBondContact CA-OE2 3.44Å; T779-E782 PolarHBondContact N-OE2 2.94Å; T779-E782 PolarHBondContact O-N 3.48Å; T779-E782 WeakPolarHBondContact OG1-CB 3.24Å; T779-E782 WeakPolarHBondContact OG1-CG 3.31Å; T779-E782 PolarHBondContact OG1-N 3.24Å; T779-E782 PolarHBondContact OG1-OE1 3.04Å; T779-E782 PolarHBondContact OG1-OE2 3.45Å; E782-L784 VanDerWaalsContact C-N 3.34Å; E782-L784 PolarHBondContact O-N 3.3Å; E782-S785 PolarHBondContact O-N 3.25Å; E782-S785 PolarHBondContact O-OG 3.48Å; E782-Q786 WeakPolarHBondContact O-CG 3.01Å; E782-Q786 PolarHBondContact O-N 3.38Å |
| 783 | L | 89.2 | Confident | 89.8 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -71.2 | -26.8 | -177.2 | -67.2 | -179.1 | 0 | 0 | 0 | 113.6 | I766 V768 Q776 T779 Y790 | I766-L783 HydrophobicContact CB-CD1 3.69Å; I766-L783 HydrophobicContact CD1-CD1 4.33Å; I766-L783 HydrophobicContact CG2-CD1 3.8Å; V768-L783 HydrophobicContact CG2-CD1 3.99Å; Q776-L783 HydrophobicContact CB-CD2 3.71Å; T779-L783 WeakPolarHBondContact O-CG 3.47Å; T779-L783 PolarHBondContact O-N 3.44Å; L783-Y790 HydrophobicContact CB-CD1 3.36Å; L783-Y790 HydrophobicContact CB-CE1 3.88Å; L783-Y790 HydrophobicContact CB-CG 3.85Å; L783-Y790 HydrophobicContact CD1-CD1 4.24Å; L783-Y790 HydrophobicContact CD1-CD2 4.22Å; L783-Y790 HydrophobicContact CD1-CG 4.03Å; L783-Y790 HydrophobicContact CG-CD1 4.46Å |
| 784 | L | 88.3 | Confident | 89.3 | Confident | 61 Ų | 61 | 58.2 Ų | 58.2 | 32% | 0.319 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73.4 | -31.3 | 171.8 | -79.9 | 178.3 | 0 | 0 | 0 | 112.9 | H780 T781 E782 Q786 Y790 I794 | H780-L784 VanDerWaalsContact CE1-CD1 3.47Å; H780-L784 WeakPolarHBondContact CE1-CD1 3.33Å; H780-L784 VanDerWaalsContact NE2-CD1 3.28Å; H780-L784 WeakPolarHBondContact NE2-CD1 3.37Å; H780-L784 WeakPolarHBondContact O-CG 3.1Å; H780-L784 PolarHBondContact O-N 3.47Å; H780-L784 VanDerWaalsContact O-N 3.13Å; T781-L784 PolarHBondContact O-N 2.93Å; E782-L784 VanDerWaalsContact C-N 3.34Å; E782-L784 PolarHBondContact O-N 3.3Å; L784-Q786 VanDerWaalsContact C-N 3.29Å; L784-Y790 HydrophobicContact CD2-CE1 4.29Å; L784-Y790 HydrophobicContact CG-CE1 4.19Å; L784-I794 HydrophobicContact CD2-CB 4.38Å; L784-I794 HydrophobicContact CD2-CG1 4.48Å; L784-I794 HydrophobicContact CD2-CG2 4.28Å |
| 785 | S | 88.1 | Confident | 88.8 | Confident | 97 Ų | 97 | 61.3 Ų | 61.3 | 68% | 0.678 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -71.1 | -27.1 | 177.5 | 76.3 | 0 | 0 | 0 | 0 | 112.6 | T781 E782 | T781-S785 PolarHBondContact O-N 2.95Å; T781-S785 VanDerWaalsContact O-N 3.17Å; E782-S785 PolarHBondContact O-N 3.25Å; E782-S785 PolarHBondContact O-OG 3.48Å |
| 786 | Q | 86.9 | Confident | 88.2 | Confident | 92 Ų | 92 | 66.3 Ų | 66.3 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -85.9 | 142.8 | 177.4 | -64.5 | 173.8 | 10.5 | 0 | 0 | 111.1 | E782 L784 | E782-Q786 WeakPolarHBondContact O-CG 3.01Å; E782-Q786 PolarHBondContact O-N 3.38Å; L784-Q786 VanDerWaalsContact C-N 3.29Å |
| 787 | E | 84.7 | Confident | 87.4 | Confident | 177 Ų | 177 | 68.7 Ų | 68.7 | 83% | 0.827 | 35% | 0.347 | S | S | * | . | trans | -73.5 | 129.6 | 163.3 | -66.2 | -160.3 | 157.5 | 0 | 0 | 109.6 | ||||
| 788 | G | 87.4 | Confident | 86.6 | Confident | 22 Ų | 22 | 70.5 Ų | 70.5 | 23% | 0.227 | 36% | 0.359 | C | S | . | . | S | Bend | trans | 172.3 | -178.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | Y790 K791 N792 | G788-Y790 PolarHBondContact O-N 2.93Å; G788-K791 PolarHBondContact O-N 3.29Å; G788-N792 PolarHBondContact O-N 3.46Å |
| 789 | L | 87.3 | Confident | 85.5 | Confident | 49 Ų | 49 | 75.6 Ų | 75.6 | 26% | 0.257 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.6 | -37.2 | -175.9 | -176.3 | 66.8 | 0 | 0 | 0 | 112.1 | V768 Q776 N792 L793 | V768-L789 HydrophobicContact CG1-CB 4.35Å; V768-L789 HydrophobicContact CG1-CD2 3.97Å; V768-L789 HydrophobicContact CG1-CG 4.37Å; Q776-L789 VanDerWaalsContact OE1-N 3.08Å; L789-N792 PolarHBondContact O-N 3.13Å; L789-L793 HydrophobicContact CG-CD1 4.11Å; L789-L793 HydrophobicContact CG-CG 4.38Å; L789-L793 VanDerWaalsContact O-CG 3.32Å; L789-L793 WeakPolarHBondContact O-CG 3.31Å; L789-L793 PolarHBondContact O-N 3.43Å |
| 790 | Y | 89 | Confident | 83.6 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.5 | -52.9 | 179.3 | -175.3 | -104.5 | 0 | 0 | 0 | 112.4 | V592 V760 I766 V768 Q776 H780 L783 L784 G788 N792 L793 I794 | V592-Y790 HydrophobicContact CG1-CD2 4.34Å; V592-Y790 HydrophobicContact CG1-CE2 4.38Å; V760-Y790 HydrophobicContact CG1-CE2 3.77Å; V760-Y790 WeakPolarHBondContact CG1-OH 3.41Å; I766-Y790 HydrophobicContact CD1-CE2 4.08Å; I766-Y790 WeakPolarHBondContact CD1-OH 3.2Å; I766-Y790 HydrophobicContact CG2-CD2 4.2Å; I766-Y790 HydrophobicContact CG2-CE2 3.91Å; V768-Y790 HydrophobicContact CG2-CD2 3.97Å; V768-Y790 HydrophobicContact CG2-CG 4.33Å; Q776-Y790 VanDerWaalsContact OE1-N 3.1Å; H780-Y790 PolarHBondContact CE1-OH 2.9Å; H780-Y790 AromaticContact ND1-CE1 3.82Å; H780-Y790 AromaticContact ND1-CZ 3.74Å; H780-Y790 PolarHBondContact ND1-OH 2.77Å; L783-Y790 HydrophobicContact CB-CD1 3.36Å; L783-Y790 HydrophobicContact CB-CE1 3.88Å; L783-Y790 HydrophobicContact CB-CG 3.85Å; L783-Y790 HydrophobicContact CD1-CD1 4.24Å; L783-Y790 HydrophobicContact CD1-CD2 4.22Å; L783-Y790 HydrophobicContact CD1-CG 4.03Å; L783-Y790 HydrophobicContact CG-CD1 4.46Å; L784-Y790 HydrophobicContact CD2-CE1 4.29Å; L784-Y790 HydrophobicContact CG-CE1 4.19Å; G788-Y790 PolarHBondContact O-N 2.93Å; Y790-N792 VanDerWaalsContact C-N 3.25Å; Y790-N792 PolarHBondContact O-N 3.05Å; Y790-L793 WeakPolarHBondContact O-CB 3.26Å; Y790-L793 PolarHBondContact O-N 2.91Å; Y790-L793 VanDerWaalsContact O-N 3.11Å; Y790-I794 HydrophobicContact CD1-CG1 4.21Å; Y790-I794 HydrophobicContact CE1-CD1 4.47Å; Y790-I794 HydrophobicContact CE1-CG1 3.75Å; Y790-I794 HydrophobicContact CE2-CD1 4.11Å; Y790-I794 HydrophobicContact CE2-CG1 4.16Å; Y790-I794 WeakPolarHBondContact O-CG1 3.36Å; Y790-I794 PolarHBondContact O-N 3.36Å |
| 791 | K | 87.9 | Confident | 81.6 | Confident | 79 Ų | 79 | 77.9 Ų | 77.9 | 34% | 0.343 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56.5 | -41.6 | 178.3 | -173 | 178.5 | 180 | -179.9 | 0 | 111.3 | G788 I794 H795 | G788-K791 PolarHBondContact O-N 3.29Å; K791-I794 PolarHBondContact O-N 3.02Å; K791-H795 WeakPolarHBondContact O-CB 3.19Å; K791-H795 PolarHBondContact O-N 3.01Å |
| 792 | N | 86.8 | Confident | 79.1 | Confident | 104 Ų | 104 | 80.3 Ų | 80.3 | 56% | 0.556 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -64.9 | -42 | 177.3 | -65.2 | -6.2 | 0 | 0 | 0 | 112.4 | G788 L789 Y790 H795 R796 | G788-N792 PolarHBondContact O-N 3.46Å; L789-N792 PolarHBondContact O-N 3.13Å; Y790-N792 VanDerWaalsContact C-N 3.25Å; Y790-N792 PolarHBondContact O-N 3.05Å; N792-H795 PolarHBondContact O-N 2.96Å; N792-R796 WeakPolarHBondContact O-CB 3.29Å; N792-R796 PolarHBondContact O-N 3.02Å |
| 793 | L | 85 | Confident | 76.4 | Confident | 41 Ų | 41 | 85.4 Ų | 85.4 | 22% | 0.215 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 176.2 | -71.8 | 171.8 | 0 | 0 | 0 | 111.6 | V592 L789 Y790 R796 Q797 | V592-L793 HydrophobicContact CG1-CD1 4.07Å; L789-L793 HydrophobicContact CG-CD1 4.11Å; L789-L793 HydrophobicContact CG-CG 4.38Å; L789-L793 VanDerWaalsContact O-CG 3.32Å; L789-L793 WeakPolarHBondContact O-CG 3.31Å; L789-L793 PolarHBondContact O-N 3.43Å; Y790-L793 WeakPolarHBondContact O-CB 3.26Å; Y790-L793 PolarHBondContact O-N 2.91Å; Y790-L793 VanDerWaalsContact O-N 3.11Å; L793-R796 PolarHBondContact O-N 2.9Å; L793-Q797 PolarHBondContact O-N 2.94Å |
| 794 | I | 84 | Confident | 73.8 | Confident | 9 Ų | 9 | 94.1 Ų | 94.1 | 5% | 0.046 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -67.6 | -45.6 | 177.5 | -62.4 | -42.6 | 0 | 0 | 0 | 111.4 | L757 L784 Y790 K791 R796 Q797 L798 | L757-I794 HydrophobicContact CD1-CD1 3.71Å; L757-I794 HydrophobicContact CD1-CG1 4.26Å; L757-I794 HydrophobicContact CD1-CG2 4.01Å; L757-I794 HydrophobicContact CD2-CG2 4.27Å; L784-I794 HydrophobicContact CD2-CB 4.38Å; L784-I794 HydrophobicContact CD2-CG1 4.48Å; L784-I794 HydrophobicContact CD2-CG2 4.28Å; Y790-I794 HydrophobicContact CD1-CG1 4.21Å; Y790-I794 HydrophobicContact CE1-CD1 4.47Å; Y790-I794 HydrophobicContact CE1-CG1 3.75Å; Y790-I794 HydrophobicContact CE2-CD1 4.11Å; Y790-I794 HydrophobicContact CE2-CG1 4.16Å; Y790-I794 WeakPolarHBondContact O-CG1 3.36Å; Y790-I794 PolarHBondContact O-N 3.36Å; K791-I794 PolarHBondContact O-N 3.02Å; I794-R796 PolarHBondContact O-N 2.96Å; I794-Q797 PolarHBondContact O-N 3.35Å; I794-L798 HydrophobicContact CG2-CD1 3.8Å; I794-L798 HydrophobicContact CG2-CG 4.25Å; I794-L798 PolarHBondContact O-N 3.13Å |
| 795 | H | 83.5 | Confident | 71.5 | Confident | 109 Ų | 109 | 100.9 Ų | 100.9 | 51% | 0.505 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -57.6 | -40.4 | 177.8 | -165.6 | -61.7 | 0 | 0 | 0 | 111.4 | K791 N792 Q797 L798 H799 | K791-H795 WeakPolarHBondContact O-CB 3.19Å; K791-H795 PolarHBondContact O-N 3.01Å; N792-H795 PolarHBondContact O-N 2.96Å; H795-Q797 VanDerWaalsContact C-N 3.29Å; H795-Q797 PolarHBondContact O-N 3.33Å; H795-L798 PolarHBondContact O-N 3.37Å; H795-H799 AromaticContact CE1-CD2 3.12Å; H795-H799 PolarHBondContact CE1-CD2 2.69Å; H795-H799 AromaticContact CE1-CG 3.72Å; H795-H799 AromaticContact CE1-NE2 3.65Å; H795-H799 AromaticContact CG-CD2 3.84Å; H795-H799 AromaticContact ND1-CD2 3.22Å; H795-H799 PolarHBondContact ND1-CD2 2.9Å; H795-H799 AromaticContact ND1-CG 3.88Å; H795-H799 AromaticContact NE2-CD2 3.69Å; H795-H799 AromaticContact NE2-NE2 3.82Å; H795-H799 WeakPolarHBondContact O-CB 3.44Å; H795-H799 PolarHBondContact O-CD2 3.07Å; H795-H799 PolarHBondContact O-N 2.94Å |
| 796 | R | 80.4 | Confident | 70.7 | Confident | 188 Ų | 188 | 101.1 Ų | 101.1 | 71% | 0.709 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65 | -30.7 | 176.6 | -169.1 | 174.9 | 179.3 | 172.8 | 1.2 | 113.1 | N792 L793 I794 G800 | N792-R796 WeakPolarHBondContact O-CB 3.29Å; N792-R796 PolarHBondContact O-N 3.02Å; L793-R796 PolarHBondContact O-N 2.9Å; I794-R796 PolarHBondContact O-N 2.96Å; R796-G800 PolarHBondContact O-N 3Å |
| 797 | Q | 75.2 | Confident | 69.8 | Low | 69 Ų | 69 | 101.5 Ų | 101.5 | 32% | 0.322 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -78.5 | -39.5 | 176.2 | -73.7 | -169.3 | -0.8 | 0 | 0 | 113.3 | H755 L757 L793 I794 H795 | H755-Q797 PolarHBondContact O-NE2 3.36Å; H755-Q797 PolarHBondContact O-OE1 3.41Å; L757-Q797 VanDerWaalsContact N-OE1 3.15Å; L793-Q797 PolarHBondContact O-N 2.94Å; I794-Q797 PolarHBondContact O-N 3.35Å; H795-Q797 VanDerWaalsContact C-N 3.29Å; H795-Q797 PolarHBondContact O-N 3.33Å |
| 798 | L | 76.5 | Confident | 69 | Low | 112 Ų | 112 | 97.3 Ų | 97.3 | 59% | 0.586 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.9 | -37.6 | 178.4 | -70.5 | 171.4 | 0 | 0 | 0 | 112.1 | L757 I794 H795 | L757-L798 HydrophobicContact CD2-CD2 3.74Å; L757-L798 HydrophobicContact CD2-CG 4.21Å; I794-L798 HydrophobicContact CG2-CD1 3.8Å; I794-L798 HydrophobicContact CG2-CG 4.25Å; I794-L798 PolarHBondContact O-N 3.13Å; H795-L798 PolarHBondContact O-N 3.37Å |
| 799 | H | 70.1 | Confident | 67.9 | Low | 113 Ų | 113 | 101.8 Ų | 101.8 | 52% | 0.523 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 8.1 | -173.8 | -69 | -77.8 | 0 | 0 | 0 | 115 | H795 | H795-H799 AromaticContact CE1-CD2 3.12Å; H795-H799 PolarHBondContact CE1-CD2 2.69Å; H795-H799 AromaticContact CE1-CG 3.72Å; H795-H799 AromaticContact CE1-NE2 3.65Å; H795-H799 AromaticContact CG-CD2 3.84Å; H795-H799 AromaticContact ND1-CD2 3.22Å; H795-H799 PolarHBondContact ND1-CD2 2.9Å; H795-H799 AromaticContact ND1-CG 3.88Å; H795-H799 AromaticContact NE2-CD2 3.69Å; H795-H799 AromaticContact NE2-NE2 3.82Å; H795-H799 WeakPolarHBondContact O-CB 3.44Å; H795-H799 PolarHBondContact O-CD2 3.07Å; H795-H799 PolarHBondContact O-N 2.94Å |
| 800 | G | 54.3 | Low | 66.7 | Low | 59 Ų | 59 | 105.1 Ų | 105.1 | 61% | 0.608 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53 | 68.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | R796 D802 | R796-G800 PolarHBondContact O-N 3Å; G800-D802 VanDerWaalsContact C-N 3.34Å; G800-D802 PolarHBondContact O-N 3.35Å; G800-D802 VanDerWaalsContact O-N 3.16Å |
| 801 | G | 48.2 | Very low | 65.2 | Low | 60 Ų | 60 | 112.1 Ų | 112.1 | 62% | 0.619 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.5 | 12.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | K803 | G801-K803 PolarHBondContact O-N 3.48Š|
| 802 | D | 36.5 | Very low | 63.6 | Low | 152 Ų | 152 | 114.4 Ų | 114.4 | 81% | 0.813 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 118.5 | 166.4 | -80.4 | -24.8 | 0 | 0 | 0 | 109.8 | G800 | G800-D802 VanDerWaalsContact C-N 3.34Å; G800-D802 PolarHBondContact O-N 3.35Å; G800-D802 VanDerWaalsContact O-N 3.16Å |
| 803 | K | 35.2 | Very low | 61.8 | Low | 200 Ų | 200 | 115.2 Ų | 115.2 | 87% | 0.87 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 139.2 | -179.6 | -69 | 173.9 | 175.8 | 176.1 | 0 | 110.2 | G801 | G801-K803 PolarHBondContact O-N 3.48Š|
| 804 | E | 34.7 | Very low | 59.8 | Low | 184 Ų | 184 | 121.4 Ų | 121.4 | 86% | 0.86 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 140.8 | 165.7 | -71.8 | 173.3 | 160.9 | 0 | 0 | 110.1 | ||
| 805 | P | 39.5 | Very low | 57.6 | Low | 202 Ų | 202 | 131.6 Ų | 131.6 | 100% | 1.312 | 70% | 0.702 | S | S | * | * | trans | -67.9 | 0 | 172.7 | 28.6 | -33 | 0 | 0 | 0 | 113.2 |
Retrieved 805 of 805 residues in 3165.1 ms
(Link to these results)