| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.9 | Very low | 47.4 | Very low | 248 Ų | 248 | 110 Ų | 110 | 100% | 1.222 | 75% | 0.746 | S | S | * | * | 0 | 128.2 | 0 | -71.3 | -153.9 | -175.2 | 0 | 0 | 107.7 | S3 | M1-S3 PolarHBondContact O-N 3.44Š| |||
| 2 | A | 37.1 | Very low | 50.7 | Low | 105 Ų | 105 | 104.6 Ų | 104.6 | 87% | 0.868 | 71% | 0.71 | S | S | * | * | trans | -73 | 120.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | A4 | A2-A4 PolarHBondContact O-N 3.28Š| ||
| 3 | S | 40.9 | Very low | 53.4 | Low | 124 Ų | 124 | 98.8 Ų | 98.8 | 87% | 0.867 | 67% | 0.674 | S | S | * | * | trans | -63.7 | 99.7 | 160.9 | -84.1 | 0 | 0 | 0 | 0 | 108.1 | M1 A5 | M1-S3 PolarHBondContact O-N 3.44Å; S3-A5 PolarHBondContact O-N 3.05Å; S3-A5 VanDerWaalsContact O-N 3.12Å | ||
| 4 | A | 42.7 | Very low | 55.9 | Low | 98 Ų | 98 | 102.6 Ų | 102.6 | 81% | 0.81 | 68% | 0.677 | S | S | * | * | trans | -69.8 | 103.6 | 162 | 0 | 0 | 0 | 0 | 0 | 106.8 | A2 A6 | A2-A4 PolarHBondContact O-N 3.28Å; A4-A6 PolarHBondContact O-N 3.12Å | ||
| 5 | A | 41.1 | Very low | 58 | Low | 79 Ų | 79 | 101.8 Ų | 101.8 | 65% | 0.653 | 66% | 0.66 | S | S | * | * | trans | -52.4 | 127.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | S3 Q7 | S3-A5 PolarHBondContact O-N 3.05Å; S3-A5 VanDerWaalsContact O-N 3.12Å; A5-Q7 PolarHBondContact O-N 2.78Å | ||
| 6 | A | 42.4 | Very low | 60 | Low | 107 Ų | 107 | 95.4 Ų | 95.4 | 88% | 0.884 | 62% | 0.619 | S | S | * | * | trans | -65.3 | 80.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | A4 | A4-A6 PolarHBondContact O-N 3.12Š| ||
| 7 | Q | 39.5 | Very low | 61.8 | Low | 161 Ų | 161 | 92.4 Ų | 92.4 | 75% | 0.752 | 59% | 0.593 | S | S | * | * | trans | -68 | 141.1 | 161.2 | -64.9 | -178.6 | -47 | 0 | 0 | 106.9 | A5 A9 | A5-Q7 PolarHBondContact O-N 2.78Å; Q7-A9 PolarHBondContact O-N 2.66Å | ||
| 8 | P | 42.2 | Very low | 63.5 | Low | 123 Ų | 123 | 91.6 Ų | 91.6 | 80% | 0.799 | 59% | 0.586 | S | S | * | * | trans | -55.3 | 118.6 | 168.5 | 25.1 | -30.6 | 0 | 0 | 0 | 105.7 | A10 | P8-A10 VanDerWaalsContact C-N 3.27Å; P8-A10 PolarHBondContact O-N 2.98Å | ||
| 9 | A | 50 | Low | 64.9 | Low | 85 Ų | 85 | 86.7 Ų | 86.7 | 70% | 0.702 | 56% | 0.556 | S | S | * | * | trans | -58 | 87.3 | -166.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q7 L11 | Q7-A9 PolarHBondContact O-N 2.66Å; A9-L11 PolarHBondContact O-N 3.16Å | ||
| 10 | A | 66.1 | Low | 66.3 | Low | 75 Ų | 75 | 82.5 Ų | 82.5 | 62% | 0.62 | 53% | 0.528 | S | S | * | . | trans | -72.7 | 108 | 167 | 0 | 0 | 0 | 0 | 0 | 104.9 | P8 S12 | P8-A10 VanDerWaalsContact C-N 3.27Å; P8-A10 PolarHBondContact O-N 2.98Å; A10-S12 PolarHBondContact O-N 3.01Å | ||
| 11 | L | 79.3 | Confident | 67.5 | Low | 5 Ų | 5 | 80 Ų | 80 | 3% | 0.026 | 52% | 0.516 | C | S | . | . | trans | -46.6 | 127.1 | 176.2 | -70.9 | 171.3 | 0 | 0 | 0 | 109.2 | A9 Q15 V19 Y69 F71 F81 L84 Y88 | A9-L11 PolarHBondContact O-N 3.16Å; L11-Q15 HydrophobicContact CB-CB 4.09Å; L11-Q15 HydrophobicContact CD2-CB 3.75Å; L11-Q15 HydrophobicContact CD2-CG 4.48Å; L11-V19 HydrophobicContact CD1-CG2 3.94Å; L11-V19 HydrophobicContact CD2-CG2 4.28Å; L11-Y69 HydrophobicContact CD2-CD1 3.95Å; L11-Y69 HydrophobicContact CD2-CG 4.38Å; L11-F71 HydrophobicContact CD1-CD2 4.36Å; L11-F71 HydrophobicContact CD1-CE2 3.28Å; L11-F71 HydrophobicContact CD1-CZ 3.68Å; L11-F71 HydrophobicContact CG-CE2 3.76Å; L11-F71 HydrophobicContact CG-CZ 4.17Å; L11-F81 HydrophobicContact CD1-CD2 4.2Å; L11-F81 HydrophobicContact CD1-CE2 4.26Å; L11-L84 HydrophobicContact CB-CD1 4.14Å; L11-L84 HydrophobicContact CB-CD2 4.04Å; L11-L84 HydrophobicContact CD1-CD2 4.31Å; L11-Y88 WeakPolarHBondContact O-CE2 3.11Å; L11-Y88 PolarHBondContact O-OH 3.32Å | ||
| 12 | S | 86.7 | Confident | 70.1 | Confident | 45 Ų | 45 | 72.2 Ų | 72.2 | 32% | 0.315 | 48% | 0.476 | S | S | . | . | trans | -64.6 | 165.3 | 173 | 68.1 | 0 | 0 | 0 | 0 | 110.7 | A10 E14 Q15 A16 | A10-S12 PolarHBondContact O-N 3.01Å; S12-E14 PolarHBondContact O-N 3.24Å; S12-Q15 CarbonylContact O-C 3.53Å; S12-Q15 PolarHBondContact O-N 3.21Å; S12-Q15 WeakPolarHBondContact OG-CG 3.43Å; S12-Q15 PolarHBondContact OG-N 3.2Å; S12-A16 PolarHBondContact O-N 3.23Å | ||
| 13 | A | 86.3 | Confident | 72.7 | Confident | 30 Ų | 30 | 67.2 Ų | 67.2 | 25% | 0.248 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -55 | -41 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A16 K17 Y88 I95 | A13-A16 PolarHBondContact O-N 3.2Å; A13-K17 WeakPolarHBondContact O-CG 3.23Å; A13-K17 PolarHBondContact O-N 3.2Å; A13-Y88 HydrophobicContact CB-CD1 3.74Å; A13-Y88 HydrophobicContact CB-CE1 3.87Å; A13-Y88 HydrophobicContact CB-CG 4.22Å; A13-I95 HydrophobicContact CB-CD1 4.06Å; A13-I95 WeakPolarHBondContact O-CD1 3.32Å |
| 14 | E | 87.8 | Confident | 75.2 | Confident | 151 Ų | 151 | 62.7 Ų | 62.7 | 71% | 0.706 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.9 | -44.9 | 175.3 | -65.2 | 175.9 | 99.5 | 0 | 0 | 111.8 | S12 K17 V18 | S12-E14 PolarHBondContact O-N 3.24Å; E14-K17 WeakPolarHBondContact O-CB 3.28Å; E14-K17 PolarHBondContact O-N 2.84Å; E14-V18 WeakPolarHBondContact O-CG2 3.48Å; E14-V18 PolarHBondContact O-N 2.72Å; E14-V18 VanDerWaalsContact O-N 3.12Å |
| 15 | Q | 88.4 | Confident | 77.6 | Confident | 91 Ų | 91 | 63.7 Ų | 63.7 | 43% | 0.425 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 175.7 | -72 | -176.1 | -37.2 | 0 | 0 | 111.9 | L11 S12 K17 V18 V19 | L11-Q15 HydrophobicContact CB-CB 4.09Å; L11-Q15 HydrophobicContact CD2-CB 3.75Å; L11-Q15 HydrophobicContact CD2-CG 4.48Å; S12-Q15 CarbonylContact O-C 3.53Å; S12-Q15 PolarHBondContact O-N 3.21Å; S12-Q15 WeakPolarHBondContact OG-CG 3.43Å; S12-Q15 PolarHBondContact OG-N 3.2Å; Q15-K17 VanDerWaalsContact C-N 3.27Å; Q15-K17 PolarHBondContact O-N 3.19Å; Q15-V18 PolarHBondContact O-N 3.41Å; Q15-V18 VanDerWaalsContact O-N 3.16Å; Q15-V19 WeakPolarHBondContact O-CG2 3.26Å; Q15-V19 PolarHBondContact O-N 3.03Å |
| 16 | A | 89.4 | Confident | 80 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.7 | -38.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S12 A13 L20 L84 Y88 I95 | S12-A16 PolarHBondContact O-N 3.23Å; A13-A16 PolarHBondContact O-N 3.2Å; A16-L20 VanDerWaalsContact O-CB 3.31Å; A16-L20 WeakPolarHBondContact O-CB 3.46Å; A16-L20 VanDerWaalsContact O-CG 3.26Å; A16-L20 WeakPolarHBondContact O-CG 3.36Å; A16-L20 PolarHBondContact O-N 3.39Å; A16-L84 HydrophobicContact CB-CD2 3.88Å; A16-Y88 HydrophobicContact CB-CD2 4Å; A16-Y88 HydrophobicContact CB-CE2 4.38Å; A16-I95 HydrophobicContact CB-CD1 4.37Å |
| 17 | K | 91 | Very high | 82.4 | Confident | 43 Ų | 43 | 56.1 Ų | 56.1 | 19% | 0.187 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.4 | -48.8 | 172.6 | -67.9 | 169.2 | 178.3 | -156.3 | 0 | 112.1 | A13 E14 Q15 V19 L20 A21 D92 E94 I95 L98 | A13-K17 WeakPolarHBondContact O-CG 3.23Å; A13-K17 PolarHBondContact O-N 3.2Å; E14-K17 WeakPolarHBondContact O-CB 3.28Å; E14-K17 PolarHBondContact O-N 2.84Å; Q15-K17 VanDerWaalsContact C-N 3.27Å; Q15-K17 PolarHBondContact O-N 3.19Å; K17-V19 VanDerWaalsContact C-N 3.34Å; K17-V19 PolarHBondContact O-N 3.4Å; K17-L20 PolarHBondContact O-N 2.65Å; K17-A21 WeakPolarHBondContact O-CB 3.49Å; K17-A21 PolarHBondContact O-N 2.96Å; K17-D92 WeakPolarHBondContact CE-OD1 3.18Å; K17-D92 WeakPolarHBondContact CE-OD2 3.45Å; K17-D92 IonicContact NZ-OD1 3.34Å; K17-D92 PolarHBondContact NZ-OD1 3.45Å; K17-D92 IonicContact NZ-OD2 2.7Å; K17-D92 PolarHBondContact NZ-OD2 2.97Å; K17-E94 VanDerWaalsContact CD-OE1 3.25Å; K17-E94 WeakPolarHBondContact CD-OE1 3.48Å; K17-E94 VanDerWaalsContact CE-OE1 3.29Å; K17-E94 WeakPolarHBondContact CE-OE1 3.15Å; K17-E94 IonicContact NZ-OE1 2.79Å; K17-E94 PolarHBondContact NZ-OE1 2.78Å; K17-I95 HydrophobicContact CD-CG1 4.22Å; K17-I95 HydrophobicContact CG-CD1 3.83Å; K17-I95 HydrophobicContact CG-CG1 3.35Å; K17-L98 HydrophobicContact CB-CD1 4.34Å |
| 18 | V | 91.6 | Very high | 84.7 | Confident | 78 Ų | 78 | 52.4 Ų | 52.4 | 47% | 0.473 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.7 | -50 | 178.4 | 174 | 0 | 0 | 0 | 0 | 109.5 | E14 Q15 L20 A21 E22 | E14-V18 WeakPolarHBondContact O-CG2 3.48Å; E14-V18 PolarHBondContact O-N 2.72Å; E14-V18 VanDerWaalsContact O-N 3.12Å; Q15-V18 PolarHBondContact O-N 3.41Å; Q15-V18 VanDerWaalsContact O-N 3.16Å; V18-L20 PolarHBondContact O-N 3.19Å; V18-A21 PolarHBondContact O-N 3.31Å; V18-E22 HydrophobicContact CG1-CG 4.26Å; V18-E22 WeakPolarHBondContact O-CB 3.49Å; V18-E22 VanDerWaalsContact O-CG 3.25Å; V18-E22 WeakPolarHBondContact O-CG 2.84Å; V18-E22 PolarHBondContact O-N 3.42Å |
| 19 | V | 91.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 178.4 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | L11 Q15 K17 A21 E22 V23 V65 I66 Y69 F81 | L11-V19 HydrophobicContact CD1-CG2 3.94Å; L11-V19 HydrophobicContact CD2-CG2 4.28Å; Q15-V19 WeakPolarHBondContact O-CG2 3.26Å; Q15-V19 PolarHBondContact O-N 3.03Å; K17-V19 VanDerWaalsContact C-N 3.34Å; K17-V19 PolarHBondContact O-N 3.4Å; V19-A21 PolarHBondContact O-N 3.2Å; V19-E22 PolarHBondContact O-N 2.83Å; V19-V23 HydrophobicContact CG1-CG2 4.33Å; V19-V23 WeakPolarHBondContact O-CB 3.44Å; V19-V23 VanDerWaalsContact O-CG2 3.22Å; V19-V23 WeakPolarHBondContact O-CG2 3.43Å; V19-V23 PolarHBondContact O-N 3.16Å; V19-V65 HydrophobicContact CG1-CG1 4.44Å; V19-I66 HydrophobicContact CG1-CG2 4.03Å; V19-Y69 HydrophobicContact CB-CE2 4.4Å; V19-Y69 HydrophobicContact CG1-CD2 4.23Å; V19-Y69 HydrophobicContact CG1-CE2 4.28Å; V19-Y69 HydrophobicContact CG2-CD1 3.52Å; V19-Y69 HydrophobicContact CG2-CD2 3.73Å; V19-Y69 HydrophobicContact CG2-CE1 3.46Å; V19-Y69 VanDerWaalsContact CG2-CE1 3.46Å; V19-Y69 HydrophobicContact CG2-CE2 3.68Å; V19-Y69 HydrophobicContact CG2-CG 3.65Å; V19-F81 HydrophobicContact CB-CE2 3.81Å; V19-F81 HydrophobicContact CB-CZ 4.06Å; V19-F81 HydrophobicContact CG1-CD2 4.16Å; V19-F81 HydrophobicContact CG1-CE1 4.44Å; V19-F81 HydrophobicContact CG1-CE2 3.32Å; V19-F81 HydrophobicContact CG1-CZ 3.49Å; V19-F81 VanDerWaalsContact CG1-CZ 3.49Å |
| 20 | L | 91.5 | Very high | 89.1 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 176.2 | -82 | 168.4 | 0 | 0 | 0 | 112.3 | A16 K17 V18 V23 I24 F81 V85 I95 L98 L102 | A16-L20 VanDerWaalsContact O-CB 3.31Å; A16-L20 WeakPolarHBondContact O-CB 3.46Å; A16-L20 VanDerWaalsContact O-CG 3.26Å; A16-L20 WeakPolarHBondContact O-CG 3.36Å; A16-L20 PolarHBondContact O-N 3.39Å; K17-L20 PolarHBondContact O-N 2.65Å; V18-L20 PolarHBondContact O-N 3.19Å; L20-V23 PolarHBondContact O-N 3.12Å; L20-I24 WeakPolarHBondContact O-CD1 3.16Å; L20-I24 VanDerWaalsContact O-CG1 3.24Å; L20-I24 WeakPolarHBondContact O-CG1 3.45Å; L20-I24 PolarHBondContact O-N 3.31Å; L20-F81 HydrophobicContact CD2-CE1 4.1Å; L20-F81 HydrophobicContact CD2-CZ 3.99Å; L20-F81 HydrophobicContact CG-CZ 3.99Å; L20-V85 HydrophobicContact CD1-CG1 3.86Å; L20-V85 HydrophobicContact CD1-CG2 4.02Å; L20-V85 HydrophobicContact CD2-CG1 4.24Å; L20-V85 HydrophobicContact CD2-CG2 4.04Å; L20-V85 HydrophobicContact CG-CG2 4.02Å; L20-I95 HydrophobicContact CD1-CB 4.49Å; L20-I95 HydrophobicContact CD1-CG2 3.8Å; L20-L98 HydrophobicContact CB-CB 4.03Å; L20-L98 HydrophobicContact CB-CD1 4.22Å; L20-L98 HydrophobicContact CD1-CB 4Å; L20-L102 HydrophobicContact CD2-CD2 3.62Å |
| 21 | A | 92.6 | Very high | 90.3 | Very high | 32 Ų | 32 | 52.2 Ų | 52.2 | 26% | 0.264 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | K17 V18 V19 I24 Q25 | K17-A21 WeakPolarHBondContact O-CB 3.49Å; K17-A21 PolarHBondContact O-N 2.96Å; V18-A21 PolarHBondContact O-N 3.31Å; V19-A21 PolarHBondContact O-N 3.2Å; A21-I24 PolarHBondContact O-N 3.04Å; A21-Q25 WeakPolarHBondContact O-CB 3.38Å; A21-Q25 WeakPolarHBondContact O-CG 3.32Å; A21-Q25 PolarHBondContact O-N 3.28Å |
| 22 | E | 93.6 | Very high | 91 | Very high | 83 Ų | 83 | 53.7 Ų | 53.7 | 39% | 0.388 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 174.8 | -72.2 | -68.7 | 107.7 | 0 | 0 | 111.5 | V18 V19 Q25 A26 V65 | V18-E22 HydrophobicContact CG1-CG 4.26Å; V18-E22 WeakPolarHBondContact O-CB 3.49Å; V18-E22 VanDerWaalsContact O-CG 3.25Å; V18-E22 WeakPolarHBondContact O-CG 2.84Å; V18-E22 PolarHBondContact O-N 3.42Å; V19-E22 PolarHBondContact O-N 2.83Å; E22-Q25 PolarHBondContact O-N 2.8Å; E22-Q25 PolarHBondContact OE1-NE2 3.21Å; E22-A26 WeakPolarHBondContact O-CB 3.23Å; E22-A26 PolarHBondContact O-N 3.08Å; E22-V65 HydrophobicContact CB-CG1 3.75Å |
| 23 | V | 92.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.3 | -51.4 | 173.9 | 173.9 | 0 | 0 | 0 | 0 | 109.9 | V19 L20 Q25 A26 F27 Q62 V65 L102 | V19-V23 HydrophobicContact CG1-CG2 4.33Å; V19-V23 WeakPolarHBondContact O-CB 3.44Å; V19-V23 VanDerWaalsContact O-CG2 3.22Å; V19-V23 WeakPolarHBondContact O-CG2 3.43Å; V19-V23 PolarHBondContact O-N 3.16Å; L20-V23 PolarHBondContact O-N 3.12Å; V23-Q25 VanDerWaalsContact C-N 3.28Å; V23-Q25 PolarHBondContact O-N 3.06Å; V23-A26 WeakPolarHBondContact O-CA 3.35Å; V23-A26 WeakPolarHBondContact O-CB 3.43Å; V23-A26 PolarHBondContact O-N 2.91Å; V23-F27 HydrophobicContact CG1-CD2 3.9Å; V23-F27 HydrophobicContact CG1-CE2 3.68Å; V23-F27 VanDerWaalsContact O-CD2 3.29Å; V23-F27 WeakPolarHBondContact O-CD2 3.25Å; V23-F27 PolarHBondContact O-N 3.35Å; V23-Q62 HydrophobicContact CG1-CG 3.62Å; V23-V65 HydrophobicContact CG2-CB 3.78Å; V23-V65 HydrophobicContact CG2-CG1 3.73Å; V23-V65 HydrophobicContact CG2-CG2 4.26Å; V23-L102 HydrophobicContact CB-CD1 4.5Å; V23-L102 HydrophobicContact CB-CD2 4.41Å; V23-L102 HydrophobicContact CG1-CD1 3.42Å; V23-L102 VanDerWaalsContact CG1-CD1 3.42Å; V23-L102 HydrophobicContact CG1-CD2 3.81Å; V23-L102 HydrophobicContact CG1-CG 4.27Å |
| 24 | I | 92.6 | Very high | 91.5 | Very high | 30 Ų | 30 | 56 Ų | 56 | 15% | 0.154 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59 | -41 | 179.6 | -68.1 | 162.5 | 0 | 0 | 0 | 111.3 | L20 A21 A26 F27 S28 L98 K101 L102 L105 | L20-I24 WeakPolarHBondContact O-CD1 3.16Å; L20-I24 VanDerWaalsContact O-CG1 3.24Å; L20-I24 WeakPolarHBondContact O-CG1 3.45Å; L20-I24 PolarHBondContact O-N 3.31Å; A21-I24 PolarHBondContact O-N 3.04Å; I24-A26 VanDerWaalsContact C-N 3.34Å; I24-F27 PolarHBondContact O-N 3.45Å; I24-S28 PolarHBondContact O-N 2.97Å; I24-S28 VanDerWaalsContact O-N 3.15Å; I24-S28 PolarHBondContact O-OG 2.81Å; I24-L98 HydrophobicContact CD1-CB 4.19Å; I24-L98 HydrophobicContact CD1-CD2 3.79Å; I24-L98 WeakPolarHBondContact CD1-O 3.43Å; I24-K101 HydrophobicContact CD1-CB 4.25Å; I24-L102 HydrophobicContact CD1-CB 4.33Å; I24-L102 HydrophobicContact CG1-CB 3.96Å; I24-L102 HydrophobicContact CG1-CD1 4.37Å; I24-L105 HydrophobicContact CG2-CD1 4.44Å |
| 25 | Q | 93 | Very high | 91.7 | Very high | 118 Ų | 118 | 54.4 Ų | 54.4 | 55% | 0.551 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.8 | -41.2 | 173.2 | -78.3 | -176.4 | 77.8 | 0 | 0 | 111.6 | A21 E22 V23 F27 S28 A29 | A21-Q25 WeakPolarHBondContact O-CB 3.38Å; A21-Q25 WeakPolarHBondContact O-CG 3.32Å; A21-Q25 PolarHBondContact O-N 3.28Å; E22-Q25 PolarHBondContact O-N 2.8Å; E22-Q25 PolarHBondContact OE1-NE2 3.21Å; V23-Q25 VanDerWaalsContact C-N 3.28Å; V23-Q25 PolarHBondContact O-N 3.06Å; Q25-F27 VanDerWaalsContact C-N 3.32Å; Q25-F27 PolarHBondContact O-N 3.26Å; Q25-S28 CarbonylContact O-C 3.58Å; Q25-S28 WeakPolarHBondContact O-CA 3.46Å; Q25-S28 WeakPolarHBondContact O-CB 3.42Å; Q25-S28 PolarHBondContact O-N 3.06Å; Q25-A29 PolarHBondContact O-N 2.99Å |
| 26 | A | 93.2 | Very high | 91.9 | Very high | 18 Ų | 18 | 50.7 Ų | 50.7 | 15% | 0.149 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E22 V23 I24 S28 A29 N32 I61 V65 | E22-A26 WeakPolarHBondContact O-CB 3.23Å; E22-A26 PolarHBondContact O-N 3.08Å; V23-A26 WeakPolarHBondContact O-CA 3.35Å; V23-A26 WeakPolarHBondContact O-CB 3.43Å; V23-A26 PolarHBondContact O-N 2.91Å; I24-A26 VanDerWaalsContact C-N 3.34Å; A26-S28 PolarHBondContact O-N 3.32Å; A26-A29 VanDerWaalsContact O-CB 3.27Å; A26-A29 WeakPolarHBondContact O-CB 3.48Å; A26-A29 PolarHBondContact O-N 2.64Å; A26-N32 WeakPolarHBondContact O-CB 3.49Å; A26-N32 PolarHBondContact O-ND2 3.33Å; A26-I61 HydrophobicContact CB-CG2 3.7Å; A26-V65 HydrophobicContact CB-CG2 3.58Å |
| 27 | F | 91.1 | Very high | 91.9 | Very high | 10 Ų | 10 | 54.3 Ų | 54.3 | 4% | 0.044 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -29.5 | 171.2 | -84.4 | -96.3 | 0 | 0 | 0 | 113.2 | V23 I24 Q25 A29 M36 A58 I61 Q62 L102 L105 F106 | V23-F27 HydrophobicContact CG1-CD2 3.9Å; V23-F27 HydrophobicContact CG1-CE2 3.68Å; V23-F27 VanDerWaalsContact O-CD2 3.29Å; V23-F27 WeakPolarHBondContact O-CD2 3.25Å; V23-F27 PolarHBondContact O-N 3.35Å; I24-F27 PolarHBondContact O-N 3.45Å; Q25-F27 VanDerWaalsContact C-N 3.32Å; Q25-F27 PolarHBondContact O-N 3.26Å; F27-A29 VanDerWaalsContact C-N 3.34Å; F27-M36 HydrophobicContact CD1-CE 3.87Å; F27-M36 HydrophobicContact CD1-CG 3.98Å; F27-M36 HydrophobicContact CD1-SD 4.01Å; F27-M36 HydrophobicContact CE1-CE 3.62Å; F27-M36 HydrophobicContact CE1-CG 4.24Å; F27-M36 HydrophobicContact CE1-SD 3.67Å; F27-A58 HydrophobicContact CE1-CB 3.64Å; F27-A58 VanDerWaalsContact CZ-CA 3.45Å; F27-A58 HydrophobicContact CZ-CB 3.57Å; F27-A58 WeakPolarHBondContact CZ-O 3.48Å; F27-I61 HydrophobicContact CD1-CD1 3.86Å; F27-I61 HydrophobicContact CD2-CB 4.33Å; F27-I61 HydrophobicContact CD2-CG2 3.63Å; F27-I61 HydrophobicContact CE1-CD1 3.86Å; F27-I61 HydrophobicContact CE2-CB 3.99Å; F27-I61 HydrophobicContact CE2-CG2 3.72Å; F27-I61 HydrophobicContact CG-CD1 4.28Å; F27-I61 HydrophobicContact CG-CG2 4.13Å; F27-I61 HydrophobicContact CZ-CB 4.14Å; F27-I61 HydrophobicContact CZ-CD1 4.27Å; F27-I61 HydrophobicContact CZ-CG2 4.32Å; F27-Q62 HydrophobicContact CE2-CG 4.12Å; F27-L102 HydrophobicContact CD2-CD1 3.9Å; F27-L102 HydrophobicContact CE2-CD1 3.59Å; F27-L102 HydrophobicContact CZ-CD1 4.27Å; F27-L105 HydrophobicContact CB-CD1 3.73Å; F27-L105 HydrophobicContact CD1-CB 4.17Å; F27-L105 HydrophobicContact CD1-CD1 4.31Å; F27-L105 HydrophobicContact CD2-CD1 4.37Å; F27-L105 HydrophobicContact CG-CD1 3.9Å; F27-F106 HydrophobicContact CE1-CB 4.43Å; F27-F106 HydrophobicContact CE1-CD1 4.41Å; F27-F106 HydrophobicContact CZ-CD1 4.12Å |
| 28 | S | 89.3 | Confident | 91.9 | Very high | 83 Ų | 83 | 57.5 Ų | 57.5 | 58% | 0.58 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -84 | -10.1 | 178.6 | -51 | 0 | 0 | 0 | 0 | 112.9 | I24 Q25 A26 | I24-S28 PolarHBondContact O-N 2.97Å; I24-S28 VanDerWaalsContact O-N 3.15Å; I24-S28 PolarHBondContact O-OG 2.81Å; Q25-S28 CarbonylContact O-C 3.58Å; Q25-S28 WeakPolarHBondContact O-CA 3.46Å; Q25-S28 WeakPolarHBondContact O-CB 3.42Å; Q25-S28 PolarHBondContact O-N 3.06Å; A26-S28 PolarHBondContact O-N 3.32Å |
| 29 | A | 92.6 | Very high | 91.8 | Very high | 30 Ų | 30 | 54.1 Ų | 54.1 | 25% | 0.248 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -62.4 | 138.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q25 A26 F27 E31 N32 A33 | Q25-A29 PolarHBondContact O-N 2.99Å; A26-A29 VanDerWaalsContact O-CB 3.27Å; A26-A29 WeakPolarHBondContact O-CB 3.48Å; A26-A29 PolarHBondContact O-N 2.64Å; F27-A29 VanDerWaalsContact C-N 3.34Å; A29-E31 VanDerWaalsContact C-N 3.27Å; A29-E31 PolarHBondContact O-N 2.77Å; A29-N32 HydrophobicContact CB-CB 4.46Å; A29-N32 PolarHBondContact O-N 2.97Å; A29-A33 WeakPolarHBondContact O-CB 3.42Å; A29-A33 PolarHBondContact O-N 2.93Å |
| 30 | P | 90.6 | Very high | 91.6 | Very high | 98 Ų | 98 | 59.9 Ų | 59.9 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -56.3 | -40.3 | -171.4 | 19.9 | -31.6 | 0 | 0 | 0 | 112.8 | N32 V34 | P30-N32 PolarHBondContact O-N 3.4Å; P30-V34 VanDerWaalsContact O-CG2 3.23Å; P30-V34 WeakPolarHBondContact O-CG2 3.05Å; P30-V34 PolarHBondContact O-N 3.24Å |
| 31 | E | 92.3 | Very high | 91.6 | Very high | 150 Ų | 150 | 65.5 Ų | 65.5 | 70% | 0.701 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63 | -40.6 | 178.1 | -67.6 | 144.8 | -160.1 | 0 | 0 | 112.7 | A29 R35 | A29-E31 VanDerWaalsContact C-N 3.27Å; A29-E31 PolarHBondContact O-N 2.77Å; E31-R35 VanDerWaalsContact O-CG 3.28Å; E31-R35 WeakPolarHBondContact O-CG 3.27Å; E31-R35 PolarHBondContact O-N 3.35Å |
| 32 | N | 93.4 | Very high | 91.3 | Very high | 37 Ų | 37 | 69 Ų | 69 | 20% | 0.198 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -80.8 | -36.9 | -178.7 | -70.8 | -28.8 | 0 | 0 | 0 | 111.8 | A26 A29 P30 R35 M36 I61 | A26-N32 WeakPolarHBondContact O-CB 3.49Å; A26-N32 PolarHBondContact O-ND2 3.33Å; A29-N32 HydrophobicContact CB-CB 4.46Å; A29-N32 PolarHBondContact O-N 2.97Å; P30-N32 PolarHBondContact O-N 3.4Å; N32-R35 PolarHBondContact O-N 3Å; N32-M36 WeakPolarHBondContact O-CB 3.28Å; N32-M36 VanDerWaalsContact O-CG 3.3Å; N32-M36 WeakPolarHBondContact O-CG 3.07Å; N32-M36 PolarHBondContact O-N 2.79Å; N32-I61 HydrophobicContact CB-CD1 3.73Å; N32-I61 HydrophobicContact CB-CG1 4.03Å |
| 33 | A | 91.1 | Very high | 91 | Very high | 41 Ų | 41 | 65 Ų | 65 | 34% | 0.339 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A29 M36 D37 | A29-A33 WeakPolarHBondContact O-CB 3.42Å; A29-A33 PolarHBondContact O-N 2.93Å; A33-M36 PolarHBondContact O-N 3.35Å; A33-D37 WeakPolarHBondContact O-CB 3.37Å; A33-D37 PolarHBondContact O-N 3.34Å |
| 34 | V | 93.1 | Very high | 90.5 | Very high | 81 Ų | 81 | 70 Ų | 70 | 49% | 0.491 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.9 | -49 | 174.4 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | P30 M36 D37 E38 | P30-V34 VanDerWaalsContact O-CG2 3.23Å; P30-V34 WeakPolarHBondContact O-CG2 3.05Å; P30-V34 PolarHBondContact O-N 3.24Å; V34-M36 VanDerWaalsContact C-N 3.31Å; V34-M36 PolarHBondContact O-N 2.87Å; V34-D37 PolarHBondContact O-N 2.96Å; V34-D37 VanDerWaalsContact O-N 3.16Å; V34-E38 HydrophobicContact CG1-CG 4.28Å; V34-E38 WeakPolarHBondContact O-CG 3.12Å; V34-E38 PolarHBondContact O-N 2.87Å |
| 35 | R | 92.4 | Very high | 89.5 | Confident | 118 Ų | 118 | 75.8 Ų | 75.8 | 45% | 0.445 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 179.4 | -68 | 171.9 | 74.4 | 142.6 | 0 | 112.8 | E31 N32 A39 V57 | E31-R35 VanDerWaalsContact O-CG 3.28Å; E31-R35 WeakPolarHBondContact O-CG 3.27Å; E31-R35 PolarHBondContact O-N 3.35Å; N32-R35 PolarHBondContact O-N 3Å; R35-A39 VanDerWaalsContact O-CB 3.28Å; R35-A39 WeakPolarHBondContact O-CB 3.33Å; R35-A39 PolarHBondContact O-N 2.79Å; R35-V57 HydrophobicContact CB-CG1 3.85Å |
| 36 | M | 90.9 | Very high | 89.2 | Confident | 13 Ų | 13 | 73.9 Ų | 73.9 | 6% | 0.064 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68 | -39.1 | 176.5 | -76.3 | -69.3 | -65.9 | 0 | 0 | 112 | F27 N32 A33 V34 R40 V54 V57 A58 I61 L105 F106 | F27-M36 HydrophobicContact CD1-CE 3.87Å; F27-M36 HydrophobicContact CD1-CG 3.98Å; F27-M36 HydrophobicContact CD1-SD 4.01Å; F27-M36 HydrophobicContact CE1-CE 3.62Å; F27-M36 HydrophobicContact CE1-CG 4.24Å; F27-M36 HydrophobicContact CE1-SD 3.67Å; N32-M36 WeakPolarHBondContact O-CB 3.28Å; N32-M36 VanDerWaalsContact O-CG 3.3Å; N32-M36 WeakPolarHBondContact O-CG 3.07Å; N32-M36 PolarHBondContact O-N 2.79Å; A33-M36 PolarHBondContact O-N 3.35Å; V34-M36 VanDerWaalsContact C-N 3.31Å; V34-M36 PolarHBondContact O-N 2.87Å; M36-R40 WeakPolarHBondContact O-CB 3.36Å; M36-R40 WeakPolarHBondContact O-CG 3.39Å; M36-R40 PolarHBondContact O-N 2.95Å; M36-V54 HydrophobicContact CE-CG1 3.47Å; M36-V54 VanDerWaalsContact CE-CG1 3.47Å; M36-V54 HydrophobicContact SD-CG1 4.02Å; M36-V57 HydrophobicContact CG-CG1 4.06Å; M36-V57 HydrophobicContact SD-CB 4.14Å; M36-V57 HydrophobicContact SD-CG1 3.75Å; M36-A58 HydrophobicContact CE-CB 4.42Å; M36-A58 HydrophobicContact SD-CB 4.15Å; M36-I61 HydrophobicContact CG-CD1 3.81Å; M36-I61 HydrophobicContact SD-CD1 4.13Å; M36-L105 WeakPolarHBondContact CE-O 3.46Å; M36-F106 HydrophobicContact CE-CB 3.91Å |
| 37 | D | 90.1 | Very high | 88.5 | Confident | 76 Ų | 76 | 77.9 Ų | 77.9 | 41% | 0.406 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -69.7 | -46.7 | 178 | -153.1 | -123.8 | 0 | 0 | 0 | 110.9 | A33 V34 A39 R40 D41 | A33-D37 WeakPolarHBondContact O-CB 3.37Å; A33-D37 PolarHBondContact O-N 3.34Å; V34-D37 PolarHBondContact O-N 2.96Å; V34-D37 VanDerWaalsContact O-N 3.16Å; D37-A39 VanDerWaalsContact C-N 3.31Å; D37-A39 PolarHBondContact O-N 3.39Å; D37-R40 CarbonylContact O-C 3.53Å; D37-R40 WeakPolarHBondContact O-CA 3.37Å; D37-R40 WeakPolarHBondContact O-CB 3.42Å; D37-R40 PolarHBondContact O-N 2.83Å; D37-R40 IonicContact OD2-CZ 3.83Å; D37-R40 IonicContact OD2-NH1 2.71Å; D37-R40 PolarHBondContact OD2-NH1 3.47Å; D37-D41 PolarHBondContact O-N 3.33Å |
| 38 | E | 91.1 | Very high | 88.2 | Confident | 110 Ų | 110 | 79 Ų | 79 | 51% | 0.514 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -56.8 | -43.7 | 173.3 | -71.6 | 179.9 | 132 | 0 | 0 | 111.7 | V34 R40 D41 N42 | V34-E38 HydrophobicContact CG1-CG 4.28Å; V34-E38 WeakPolarHBondContact O-CG 3.12Å; V34-E38 PolarHBondContact O-N 2.87Å; E38-R40 VanDerWaalsContact C-N 3.33Å; E38-R40 PolarHBondContact O-N 3.28Å; E38-D41 PolarHBondContact O-N 3.49Å; E38-N42 WeakPolarHBondContact O-CB 3.29Å; E38-N42 VanDerWaalsContact O-CG 3.26Å; E38-N42 PolarHBondContact O-N 3.02Å; E38-N42 PolarHBondContact O-ND2 3.32Å |
| 39 | A | 90.6 | Very high | 88.1 | Confident | 7 Ų | 7 | 79.4 Ų | 79.4 | 6% | 0.058 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.7 | -36.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R35 D37 A43 F53 V54 V57 | R35-A39 VanDerWaalsContact O-CB 3.28Å; R35-A39 WeakPolarHBondContact O-CB 3.33Å; R35-A39 PolarHBondContact O-N 2.79Å; D37-A39 VanDerWaalsContact C-N 3.31Å; D37-A39 PolarHBondContact O-N 3.39Å; A39-A43 WeakPolarHBondContact O-CB 3.37Å; A39-A43 PolarHBondContact O-N 3.39Å; A39-A43 VanDerWaalsContact O-N 3.1Å; A39-F53 HydrophobicContact CB-CB 4.18Å; A39-V54 HydrophobicContact CB-CB 4.47Å; A39-V54 HydrophobicContact CB-CG2 3.96Å; A39-V57 HydrophobicContact CB-CG2 4.14Å |
| 40 | R | 86.9 | Confident | 87.8 | Confident | 122 Ų | 122 | 78.8 Ų | 78.8 | 46% | 0.46 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69.5 | -42.9 | 176.3 | -83.5 | 172.6 | 55.5 | -112.8 | -7 | 111.9 | M36 D37 E38 A43 C44 M50 V54 | M36-R40 WeakPolarHBondContact O-CB 3.36Å; M36-R40 WeakPolarHBondContact O-CG 3.39Å; M36-R40 PolarHBondContact O-N 2.95Å; D37-R40 CarbonylContact O-C 3.53Å; D37-R40 WeakPolarHBondContact O-CA 3.37Å; D37-R40 WeakPolarHBondContact O-CB 3.42Å; D37-R40 PolarHBondContact O-N 2.83Å; D37-R40 IonicContact OD2-CZ 3.83Å; D37-R40 IonicContact OD2-NH1 2.71Å; D37-R40 PolarHBondContact OD2-NH1 3.47Å; E38-R40 VanDerWaalsContact C-N 3.33Å; E38-R40 PolarHBondContact O-N 3.28Å; R40-A43 WeakPolarHBondContact O-CB 3.44Å; R40-A43 PolarHBondContact O-N 3.02Å; R40-C44 PolarHBondContact O-N 2.87Å; R40-M50 HydrophobicContact CG-CE 4.38Å; R40-V54 HydrophobicContact CB-CG2 4.38Å; R40-V54 HydrophobicContact CG-CG1 4.35Å; R40-V54 HydrophobicContact CG-CG2 3.65Å |
| 41 | D | 89.9 | Confident | 87.6 | Confident | 118 Ų | 118 | 77.6 Ų | 77.6 | 63% | 0.631 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.3 | -45.3 | 175.7 | -86.2 | -29.9 | 0 | 0 | 0 | 111.2 | D37 E38 A43 C44 | D37-D41 PolarHBondContact O-N 3.33Å; E38-D41 PolarHBondContact O-N 3.49Å; D41-A43 PolarHBondContact O-N 3.22Å; D41-C44 PolarHBondContact O-N 3.42Å |
| 42 | N | 87.1 | Confident | 87.4 | Confident | 105 Ų | 105 | 76.9 Ų | 76.9 | 56% | 0.561 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.6 | -31.2 | 175.2 | -77 | -50.3 | 0 | 0 | 0 | 112.9 | E38 C44 | E38-N42 WeakPolarHBondContact O-CB 3.29Å; E38-N42 VanDerWaalsContact O-CG 3.26Å; E38-N42 PolarHBondContact O-N 3.02Å; E38-N42 PolarHBondContact O-ND2 3.32Å; N42-C44 VanDerWaalsContact C-N 3.3Å |
| 43 | A | 87.3 | Confident | 87.2 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -72.7 | -21.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | A39 R40 D41 N45 D46 K49 M50 | A39-A43 WeakPolarHBondContact O-CB 3.37Å; A39-A43 PolarHBondContact O-N 3.39Å; A39-A43 VanDerWaalsContact O-N 3.1Å; R40-A43 WeakPolarHBondContact O-CB 3.44Å; R40-A43 PolarHBondContact O-N 3.02Å; D41-A43 PolarHBondContact O-N 3.22Å; A43-N45 PolarHBondContact O-N 3.34Å; A43-D46 VanDerWaalsContact O-CB 3.29Å; A43-D46 WeakPolarHBondContact O-CB 3.4Å; A43-D46 PolarHBondContact O-N 3.26Å; A43-K49 HydrophobicContact CB-CB 3.82Å; A43-M50 HydrophobicContact CB-CB 4.23Å; A43-M50 HydrophobicContact CB-CG 3.53Å |
| 44 | C | 81.4 | Confident | 87.2 | Confident | 104 Ų | 104 | 77.9 Ų | 77.9 | 70% | 0.703 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 43.9 | 177.1 | -169.6 | 0 | 0 | 0 | 0 | 112.9 | R40 D41 N42 D46 | R40-C44 PolarHBondContact O-N 2.87Å; D41-C44 PolarHBondContact O-N 3.42Å; N42-C44 VanDerWaalsContact C-N 3.3Å; C44-D46 PolarHBondContact O-N 2.7Å; C44-D46 VanDerWaalsContact O-N 3.08Å |
| 45 | N | 72.7 | Confident | 87 | Confident | 153 Ų | 153 | 76.9 Ų | 76.9 | 82% | 0.818 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 10.2 | -178.9 | -146.6 | 48 | 0 | 0 | 0 | 115.5 | A43 | A43-N45 PolarHBondContact O-N 3.34Š|
| 46 | D | 85.4 | Confident | 86.9 | Confident | 78 Ų | 78 | 73.9 Ų | 73.9 | 42% | 0.417 | 39% | 0.385 | S | S | . | . | trans | -80.6 | 118.3 | 172 | -178.3 | -68.6 | 0 | 0 | 0 | 109.3 | A43 C44 G48 K49 M50 | A43-D46 VanDerWaalsContact O-CB 3.29Å; A43-D46 WeakPolarHBondContact O-CB 3.4Å; A43-D46 PolarHBondContact O-N 3.26Å; C44-D46 PolarHBondContact O-N 2.7Å; C44-D46 VanDerWaalsContact O-N 3.08Å; D46-G48 VanDerWaalsContact C-N 3.29Å; D46-G48 PolarHBondContact O-N 2.89Å; D46-G48 VanDerWaalsContact OD1-CA 3.29Å; D46-G48 WeakPolarHBondContact OD1-CA 3.29Å; D46-G48 PolarHBondContact OD1-N 2.89Å; D46-K49 HydrophobicContact CB-CB 3.98Å; D46-K49 HydrophobicContact CB-CD 4.03Å; D46-K49 HydrophobicContact CB-CG 3.98Å; D46-K49 CarbonylContact O-C 3.58Å; D46-K49 PolarHBondContact O-N 2.98Å; D46-K49 VanDerWaalsContact O-N 3.13Å; D46-K49 PolarHBondContact OD1-N 3.25Å; D46-M50 WeakPolarHBondContact O-CG 3.49Å; D46-M50 PolarHBondContact O-N 2.85Å | ||
| 47 | M | 79.4 | Confident | 86.9 | Confident | 102 Ų | 102 | 74.3 Ų | 74.3 | 50% | 0.502 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.7 | -36.2 | -176.4 | -174.9 | 144.4 | 179.9 | 0 | 0 | 112.7 | M50 L51 P108 | M47-M50 PolarHBondContact O-N 3.13Å; M47-L51 WeakPolarHBondContact O-CG 3.22Å; M47-L51 PolarHBondContact O-N 3.41Å; M47-L51 VanDerWaalsContact O-N 3.12Å; M47-P108 HydrophobicContact CE-CG 3.49Å; M47-P108 VanDerWaalsContact CE-CG 3.49Å; M47-P108 HydrophobicContact CG-CG 3.91Å; M47-P108 HydrophobicContact SD-CB 4.37Å; M47-P108 HydrophobicContact SD-CG 3.65Å |
| 48 | G | 84.6 | Confident | 87 | Confident | 34 Ų | 34 | 70.7 Ų | 70.7 | 35% | 0.351 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.2 | -36.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D46 Q52 | D46-G48 VanDerWaalsContact C-N 3.29Å; D46-G48 PolarHBondContact O-N 2.89Å; D46-G48 VanDerWaalsContact OD1-CA 3.29Å; D46-G48 WeakPolarHBondContact OD1-CA 3.29Å; D46-G48 PolarHBondContact OD1-N 2.89Å; G48-Q52 WeakPolarHBondContact O-CG 3.49Å; G48-Q52 PolarHBondContact O-N 2.99Å; G48-Q52 PolarHBondContact O-NE2 3.4Å |
| 49 | K | 86.9 | Confident | 87 | Confident | 90 Ų | 90 | 67 Ų | 67 | 39% | 0.391 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -74 | -36.5 | 173.4 | -67 | -174.9 | -177.7 | 171.8 | 0 | 112.4 | A43 D46 L51 Q52 F53 | A43-K49 HydrophobicContact CB-CB 3.82Å; D46-K49 HydrophobicContact CB-CB 3.98Å; D46-K49 HydrophobicContact CB-CD 4.03Å; D46-K49 HydrophobicContact CB-CG 3.98Å; D46-K49 CarbonylContact O-C 3.58Å; D46-K49 PolarHBondContact O-N 2.98Å; D46-K49 VanDerWaalsContact O-N 3.13Å; D46-K49 PolarHBondContact OD1-N 3.25Å; K49-L51 VanDerWaalsContact C-N 3.26Å; K49-L51 PolarHBondContact O-N 2.89Å; K49-Q52 CarbonylContact O-C 3.57Å; K49-Q52 WeakPolarHBondContact O-CA 3.25Å; K49-Q52 PolarHBondContact O-N 2.87Å; K49-F53 HydrophobicContact CB-CD2 3.93Å; K49-F53 HydrophobicContact CB-CE2 4.12Å; K49-F53 HydrophobicContact CD-CE2 4.43Å; K49-F53 HydrophobicContact CG-CE2 4.26Å; K49-F53 VanDerWaalsContact O-CD2 3.26Å; K49-F53 WeakPolarHBondContact O-CD2 3.26Å; K49-F53 PolarHBondContact O-N 3.27Å |
| 50 | M | 86.4 | Confident | 87.1 | Confident | 17 Ų | 17 | 70.9 Ų | 70.9 | 8% | 0.084 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58 | -43.6 | 173.8 | -73.9 | -171.6 | 70.8 | 0 | 0 | 110.4 | R40 A43 D46 M47 Q52 V54 L55 P108 | R40-M50 HydrophobicContact CG-CE 4.38Å; A43-M50 HydrophobicContact CB-CB 4.23Å; A43-M50 HydrophobicContact CB-CG 3.53Å; D46-M50 WeakPolarHBondContact O-CG 3.49Å; D46-M50 PolarHBondContact O-N 2.85Å; M47-M50 PolarHBondContact O-N 3.13Å; M50-Q52 VanDerWaalsContact C-N 3.27Å; M50-Q52 PolarHBondContact O-N 2.9Å; M50-V54 HydrophobicContact CB-CG2 4.29Å; M50-V54 HydrophobicContact CG-CG2 4.4Å; M50-V54 WeakPolarHBondContact O-CA 3.31Å; M50-V54 WeakPolarHBondContact O-CB 2.85Å; M50-V54 PolarHBondContact O-N 3.2Å; M50-L55 PolarHBondContact O-N 3.49Å; M50-P108 HydrophobicContact CE-CB 4.09Å; M50-P108 HydrophobicContact SD-CB 3.89Å |
| 51 | L | 86.5 | Confident | 87.3 | Confident | 73 Ų | 73 | 65.3 Ų | 65.3 | 38% | 0.382 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.5 | -22.6 | 174.5 | -65 | 175.6 | 0 | 0 | 0 | 113.7 | M47 K49 L55 L107 | M47-L51 WeakPolarHBondContact O-CG 3.22Å; M47-L51 PolarHBondContact O-N 3.41Å; M47-L51 VanDerWaalsContact O-N 3.12Å; K49-L51 VanDerWaalsContact C-N 3.26Å; K49-L51 PolarHBondContact O-N 2.89Å; L51-L55 HydrophobicContact CD2-CD2 4.35Å; L51-L55 WeakPolarHBondContact O-CB 3.35Å; L51-L107 HydrophobicContact CD2-CD2 4.43Å |
| 52 | Q | 88.1 | Confident | 87.4 | Confident | 136 Ų | 136 | 60.4 Ų | 60.4 | 64% | 0.636 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -89.5 | -27.9 | 177.6 | -75.6 | 174.6 | 95.6 | 0 | 0 | 114 | G48 K49 M50 P56 | G48-Q52 WeakPolarHBondContact O-CG 3.49Å; G48-Q52 PolarHBondContact O-N 2.99Å; G48-Q52 PolarHBondContact O-NE2 3.4Å; K49-Q52 CarbonylContact O-C 3.57Å; K49-Q52 WeakPolarHBondContact O-CA 3.25Å; K49-Q52 PolarHBondContact O-N 2.87Å; M50-Q52 VanDerWaalsContact C-N 3.27Å; M50-Q52 PolarHBondContact O-N 2.9Å; Q52-P56 WeakPolarHBondContact O-CD 3.21Å; Q52-P56 VanDerWaalsContact O-CG 3.28Å; Q52-P56 WeakPolarHBondContact O-CG 3.42Å |
| 53 | F | 89.8 | Confident | 87.6 | Confident | 98 Ų | 98 | 57 Ų | 57 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -109.3 | -46.6 | -177.2 | -67 | -72.3 | 0 | 0 | 0 | 112.6 | A39 K49 V57 | A39-F53 HydrophobicContact CB-CB 4.18Å; K49-F53 HydrophobicContact CB-CD2 3.93Å; K49-F53 HydrophobicContact CB-CE2 4.12Å; K49-F53 HydrophobicContact CD-CE2 4.43Å; K49-F53 HydrophobicContact CG-CE2 4.26Å; K49-F53 VanDerWaalsContact O-CD2 3.26Å; K49-F53 WeakPolarHBondContact O-CD2 3.26Å; K49-F53 PolarHBondContact O-N 3.27Å; F53-V57 WeakPolarHBondContact O-CG2 3.38Å |
| 54 | V | 89.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -78.4 | -42.7 | -176 | -174.2 | 0 | 0 | 0 | 0 | 110.9 | M36 A39 R40 M50 V57 A58 F106 | M36-V54 HydrophobicContact CE-CG1 3.47Å; M36-V54 VanDerWaalsContact CE-CG1 3.47Å; M36-V54 HydrophobicContact SD-CG1 4.02Å; A39-V54 HydrophobicContact CB-CB 4.47Å; A39-V54 HydrophobicContact CB-CG2 3.96Å; R40-V54 HydrophobicContact CB-CG2 4.38Å; R40-V54 HydrophobicContact CG-CG1 4.35Å; R40-V54 HydrophobicContact CG-CG2 3.65Å; M50-V54 HydrophobicContact CB-CG2 4.29Å; M50-V54 HydrophobicContact CG-CG2 4.4Å; M50-V54 WeakPolarHBondContact O-CA 3.31Å; M50-V54 WeakPolarHBondContact O-CB 2.85Å; M50-V54 PolarHBondContact O-N 3.2Å; V54-V57 PolarHBondContact O-N 3.26Å; V54-A58 WeakPolarHBondContact O-CB 3.5Å; V54-A58 PolarHBondContact O-N 2.95Å; V54-F106 HydrophobicContact CG1-CB 4.21Å |
| 55 | L | 88.9 | Confident | 88.2 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 31% | 0.314 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.1 | -43.8 | -177.6 | -170.4 | 72.2 | 0 | 0 | 0 | 113.1 | M50 L51 V57 A58 T59 F106 | M50-L55 PolarHBondContact O-N 3.49Å; L51-L55 HydrophobicContact CD2-CD2 4.35Å; L51-L55 WeakPolarHBondContact O-CB 3.35Å; L55-V57 VanDerWaalsContact C-N 3.33Å; L55-V57 PolarHBondContact O-N 2.87Å; L55-A58 PolarHBondContact O-N 3.34Å; L55-T59 WeakPolarHBondContact O-CB 3.41Å; L55-T59 PolarHBondContact O-N 3.35Å; L55-T59 PolarHBondContact O-OG1 2.97Å; L55-F106 HydrophobicContact CD1-CD2 3.83Å; L55-F106 HydrophobicContact CD1-CE2 4.05Å |
| 56 | P | 90.3 | Very high | 89 | Confident | 56 Ų | 56 | 51 Ų | 51 | 36% | 0.364 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.1 | -35.5 | 177.2 | -23.8 | 36.5 | 0 | 0 | 0 | 113.3 | Q52 T59 Q60 | Q52-P56 WeakPolarHBondContact O-CD 3.21Å; Q52-P56 VanDerWaalsContact O-CG 3.28Å; Q52-P56 WeakPolarHBondContact O-CG 3.42Å; P56-T59 PolarHBondContact O-N 2.87Å; P56-Q60 PolarHBondContact O-N 3.01Å; P56-Q60 PolarHBondContact O-NE2 3.32Å |
| 57 | V | 92.5 | Very high | 89.1 | Confident | 21 Ų | 21 | 51.5 Ų | 51.5 | 13% | 0.127 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.3 | -47.2 | 175.5 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | R35 M36 A39 F53 V54 L55 T59 Q60 I61 | R35-V57 HydrophobicContact CB-CG1 3.85Å; M36-V57 HydrophobicContact CG-CG1 4.06Å; M36-V57 HydrophobicContact SD-CB 4.14Å; M36-V57 HydrophobicContact SD-CG1 3.75Å; A39-V57 HydrophobicContact CB-CG2 4.14Å; F53-V57 WeakPolarHBondContact O-CG2 3.38Å; V54-V57 PolarHBondContact O-N 3.26Å; L55-V57 VanDerWaalsContact C-N 3.33Å; L55-V57 PolarHBondContact O-N 2.87Å; V57-T59 VanDerWaalsContact C-N 3.3Å; V57-T59 PolarHBondContact O-N 3.32Å; V57-Q60 WeakPolarHBondContact O-CB 3.49Å; V57-Q60 PolarHBondContact O-N 3.14Å; V57-I61 HydrophobicContact CG1-CD1 4.06Å; V57-I61 WeakPolarHBondContact O-CG1 3.4Å; V57-I61 PolarHBondContact O-N 3.18Å |
| 58 | A | 91.3 | Very high | 89.5 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.2 | -41.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F27 M36 V54 L55 I61 Q62 F106 | F27-A58 HydrophobicContact CE1-CB 3.64Å; F27-A58 VanDerWaalsContact CZ-CA 3.45Å; F27-A58 HydrophobicContact CZ-CB 3.57Å; F27-A58 WeakPolarHBondContact CZ-O 3.48Å; M36-A58 HydrophobicContact CE-CB 4.42Å; M36-A58 HydrophobicContact SD-CB 4.15Å; V54-A58 WeakPolarHBondContact O-CB 3.5Å; V54-A58 PolarHBondContact O-N 2.95Å; L55-A58 PolarHBondContact O-N 3.34Å; A58-I61 PolarHBondContact O-N 3.05Å; A58-Q62 PolarHBondContact O-N 3.39Å; A58-F106 HydrophobicContact CB-CB 3.3Å; A58-F106 HydrophobicContact CB-CD1 4.02Å; A58-F106 HydrophobicContact CB-CD2 4.3Å; A58-F106 HydrophobicContact CB-CG 3.65Å |
| 59 | T | 91.6 | Very high | 89.5 | Confident | 33 Ų | 33 | 52.3 Ų | 52.3 | 20% | 0.202 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 177 | -54.9 | 0 | 0 | 0 | 0 | 110.8 | L55 P56 V57 Q62 Q63 V78 | L55-T59 WeakPolarHBondContact O-CB 3.41Å; L55-T59 PolarHBondContact O-N 3.35Å; L55-T59 PolarHBondContact O-OG1 2.97Å; P56-T59 PolarHBondContact O-N 2.87Å; V57-T59 VanDerWaalsContact C-N 3.3Å; V57-T59 PolarHBondContact O-N 3.32Å; T59-Q62 PolarHBondContact O-N 3.33Å; T59-Q63 HydrophobicContact CG2-CG 4.48Å; T59-Q63 WeakPolarHBondContact O-CB 3.39Å; T59-Q63 WeakPolarHBondContact O-CG 3.32Å; T59-Q63 PolarHBondContact O-N 3Å; T59-V78 HydrophobicContact CG2-CB 4.43Å; T59-V78 HydrophobicContact CG2-CG1 4.47Å; T59-V78 HydrophobicContact CG2-CG2 3.91Å |
| 60 | Q | 91.8 | Very high | 89.4 | Confident | 88 Ų | 88 | 51.5 Ų | 51.5 | 41% | 0.411 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 174.6 | -98.3 | 163.6 | 76.1 | 0 | 0 | 112.2 | P56 V57 Q62 Q63 E64 | P56-Q60 PolarHBondContact O-N 3.01Å; P56-Q60 PolarHBondContact O-NE2 3.32Å; V57-Q60 WeakPolarHBondContact O-CB 3.49Å; V57-Q60 PolarHBondContact O-N 3.14Å; Q60-Q62 VanDerWaalsContact C-N 3.31Å; Q60-Q62 PolarHBondContact O-N 3.25Å; Q60-Q63 WeakPolarHBondContact O-CB 3.35Å; Q60-Q63 PolarHBondContact O-N 2.88Å; Q60-E64 WeakPolarHBondContact O-CG 3.39Å; Q60-E64 PolarHBondContact O-N 3.17Å |
| 61 | I | 92.6 | Very high | 89.4 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 178.1 | -62.7 | 161.5 | 0 | 0 | 0 | 110.4 | A26 F27 N32 M36 V57 A58 E64 V65 | A26-I61 HydrophobicContact CB-CG2 3.7Å; F27-I61 HydrophobicContact CD1-CD1 3.86Å; F27-I61 HydrophobicContact CD2-CB 4.33Å; F27-I61 HydrophobicContact CD2-CG2 3.63Å; F27-I61 HydrophobicContact CE1-CD1 3.86Å; F27-I61 HydrophobicContact CE2-CB 3.99Å; F27-I61 HydrophobicContact CE2-CG2 3.72Å; F27-I61 HydrophobicContact CG-CD1 4.28Å; F27-I61 HydrophobicContact CG-CG2 4.13Å; F27-I61 HydrophobicContact CZ-CB 4.14Å; F27-I61 HydrophobicContact CZ-CD1 4.27Å; F27-I61 HydrophobicContact CZ-CG2 4.32Å; N32-I61 HydrophobicContact CB-CD1 3.73Å; N32-I61 HydrophobicContact CB-CG1 4.03Å; M36-I61 HydrophobicContact CG-CD1 3.81Å; M36-I61 HydrophobicContact SD-CD1 4.13Å; V57-I61 HydrophobicContact CG1-CD1 4.06Å; V57-I61 WeakPolarHBondContact O-CG1 3.4Å; V57-I61 PolarHBondContact O-N 3.18Å; A58-I61 PolarHBondContact O-N 3.05Å; I61-E64 PolarHBondContact O-N 3.06Å; I61-V65 PolarHBondContact O-N 2.82Å |
| 62 | Q | 90.5 | Very high | 89.3 | Confident | 16 Ų | 16 | 51.3 Ų | 51.3 | 8% | 0.075 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 175.1 | -80.1 | 177 | -1.2 | 0 | 0 | 112.2 | V23 F27 A58 T59 Q60 E64 V65 I66 V78 | V23-Q62 HydrophobicContact CG1-CG 3.62Å; F27-Q62 HydrophobicContact CE2-CG 4.12Å; A58-Q62 PolarHBondContact O-N 3.39Å; T59-Q62 PolarHBondContact O-N 3.33Å; Q60-Q62 VanDerWaalsContact C-N 3.31Å; Q60-Q62 PolarHBondContact O-N 3.25Å; Q62-E64 VanDerWaalsContact C-N 3.31Å; Q62-E64 PolarHBondContact O-N 3.47Å; Q62-V65 PolarHBondContact O-N 3.01Å; Q62-I66 WeakPolarHBondContact O-CG1 3.23Å; Q62-I66 WeakPolarHBondContact O-CG2 3.37Å; Q62-I66 PolarHBondContact O-N 2.91Å; Q62-V78 HydrophobicContact CB-CG2 4.2Å |
| 63 | Q | 91.6 | Very high | 89.1 | Confident | 32 Ų | 32 | 48.3 Ų | 48.3 | 15% | 0.15 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.7 | -43.7 | 178.4 | -74.3 | 166.2 | -4.9 | 0 | 0 | 112 | T59 Q60 V65 K67 D74 V78 | T59-Q63 HydrophobicContact CG2-CG 4.48Å; T59-Q63 WeakPolarHBondContact O-CB 3.39Å; T59-Q63 WeakPolarHBondContact O-CG 3.32Å; T59-Q63 PolarHBondContact O-N 3Å; Q60-Q63 WeakPolarHBondContact O-CB 3.35Å; Q60-Q63 PolarHBondContact O-N 2.88Å; Q63-V65 VanDerWaalsContact C-N 3.25Å; Q63-V65 PolarHBondContact O-N 3.2Å; Q63-K67 WeakPolarHBondContact O-CB 3.28Å; Q63-K67 PolarHBondContact O-N 3.28Å; Q63-D74 PolarHBondContact NE2-O 3.35Å; Q63-V78 HydrophobicContact CG-CG2 3.52Å |
| 64 | E | 91.1 | Very high | 89 | Confident | 113 Ų | 113 | 46.8 Ų | 46.8 | 53% | 0.528 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63 | -29.5 | -179.9 | -75.2 | -65.8 | 101.9 | 0 | 0 | 113.4 | Q60 I61 Q62 K67 | Q60-E64 WeakPolarHBondContact O-CG 3.39Å; Q60-E64 PolarHBondContact O-N 3.17Å; I61-E64 PolarHBondContact O-N 3.06Å; Q62-E64 VanDerWaalsContact C-N 3.31Å; Q62-E64 PolarHBondContact O-N 3.47Å; E64-K67 VanDerWaalsContact O-CE 3.23Å; E64-K67 WeakPolarHBondContact O-CE 3.3Å; E64-K67 VanDerWaalsContact O-CG 3.32Å; E64-K67 WeakPolarHBondContact O-CG 3.44Å; E64-K67 IonicContact OE1-NZ 2.72Å; E64-K67 PolarHBondContact OE1-NZ 3.15Å; E64-K67 IonicContact OE2-NZ 2.65Å; E64-K67 PolarHBondContact OE2-NZ 3.32Å |
| 65 | V | 90.8 | Very high | 88.6 | Confident | 19 Ų | 19 | 49.1 Ų | 49.1 | 12% | 0.115 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -85.5 | -50.9 | 176.6 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | V19 E22 V23 A26 I61 Q62 Q63 K67 A68 Y69 | V19-V65 HydrophobicContact CG1-CG1 4.44Å; E22-V65 HydrophobicContact CB-CG1 3.75Å; V23-V65 HydrophobicContact CG2-CB 3.78Å; V23-V65 HydrophobicContact CG2-CG1 3.73Å; V23-V65 HydrophobicContact CG2-CG2 4.26Å; A26-V65 HydrophobicContact CB-CG2 3.58Å; I61-V65 PolarHBondContact O-N 2.82Å; Q62-V65 PolarHBondContact O-N 3.01Å; Q63-V65 VanDerWaalsContact C-N 3.25Å; Q63-V65 PolarHBondContact O-N 3.2Å; V65-K67 PolarHBondContact O-N 2.97Å; V65-A68 WeakPolarHBondContact O-CB 3.45Å; V65-A68 PolarHBondContact O-N 3.18Å; V65-A68 VanDerWaalsContact O-N 3.16Å; V65-Y69 HydrophobicContact CG1-CE2 4.16Å; V65-Y69 VanDerWaalsContact O-CD2 3.28Å; V65-Y69 WeakPolarHBondContact O-CD2 3.24Å |
| 66 | I | 88.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.7 | -22.9 | -174.1 | 69.1 | -178.3 | 0 | 0 | 0 | 113 | V19 Q62 A68 Y69 F71 V78 F81 | V19-I66 HydrophobicContact CG1-CG2 4.03Å; Q62-I66 WeakPolarHBondContact O-CG1 3.23Å; Q62-I66 WeakPolarHBondContact O-CG2 3.37Å; Q62-I66 PolarHBondContact O-N 2.91Å; I66-A68 PolarHBondContact O-N 3.38Å; I66-Y69 WeakPolarHBondContact O-CB 3.45Å; I66-Y69 PolarHBondContact O-N 2.86Å; I66-F71 HydrophobicContact CB-CB 3.84Å; I66-F71 HydrophobicContact CB-CD2 4.2Å; I66-F71 HydrophobicContact CB-CG 4.12Å; I66-F71 HydrophobicContact CD1-CB 3.89Å; I66-F71 HydrophobicContact CD1-CG 4.45Å; I66-F71 HydrophobicContact CG1-CB 3.73Å; I66-F71 HydrophobicContact CG1-CG 4.44Å; I66-F71 WeakPolarHBondContact O-CB 3.48Å; I66-F71 PolarHBondContact O-N 3.42Å; I66-V78 HydrophobicContact CD1-CB 4.41Å; I66-V78 HydrophobicContact CD1-CG2 3.76Å; I66-F81 HydrophobicContact CD1-CB 4.43Å; I66-F81 HydrophobicContact CG2-CB 4.26Å; I66-F81 HydrophobicContact CG2-CD1 4Å; I66-F81 HydrophobicContact CG2-CD2 4.1Å; I66-F81 HydrophobicContact CG2-CE1 4.37Å; I66-F81 HydrophobicContact CG2-CE2 4.48Å; I66-F81 HydrophobicContact CG2-CG 3.84Å |
| 67 | K | 88.6 | Confident | 88.4 | Confident | 88 Ų | 88 | 49.1 Ų | 49.1 | 38% | 0.383 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -60.1 | -33.4 | 175 | 74.7 | -175.5 | 178.4 | -177.3 | 0 | 113.2 | Q63 E64 V65 Y69 G70 F71 C73 | Q63-K67 WeakPolarHBondContact O-CB 3.28Å; Q63-K67 PolarHBondContact O-N 3.28Å; E64-K67 VanDerWaalsContact O-CE 3.23Å; E64-K67 WeakPolarHBondContact O-CE 3.3Å; E64-K67 VanDerWaalsContact O-CG 3.32Å; E64-K67 WeakPolarHBondContact O-CG 3.44Å; E64-K67 IonicContact OE1-NZ 2.72Å; E64-K67 PolarHBondContact OE1-NZ 3.15Å; E64-K67 IonicContact OE2-NZ 2.65Å; E64-K67 PolarHBondContact OE2-NZ 3.32Å; V65-K67 PolarHBondContact O-N 2.97Å; K67-Y69 PolarHBondContact O-N 3.22Å; K67-G70 PolarHBondContact O-N 3.4Å; K67-F71 WeakPolarHBondContact CA-O 3.38Å; K67-C73 WeakPolarHBondContact CB-SG 3.4Å |
| 68 | A | 87.1 | Confident | 88.2 | Confident | 84 Ų | 84 | 48.9 Ų | 48.9 | 69% | 0.694 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -66.2 | -18.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V65 I66 | V65-A68 WeakPolarHBondContact O-CB 3.45Å; V65-A68 PolarHBondContact O-N 3.18Å; V65-A68 VanDerWaalsContact O-N 3.16Å; I66-A68 PolarHBondContact O-N 3.38Å |
| 69 | Y | 85.3 | Confident | 88.1 | Confident | 70 Ų | 70 | 53.9 Ų | 53.9 | 28% | 0.275 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -102.9 | 9 | -178.7 | -63.1 | -88.2 | 0 | 0 | 0 | 113.1 | L11 V19 V65 I66 K67 | L11-Y69 HydrophobicContact CD2-CD1 3.95Å; L11-Y69 HydrophobicContact CD2-CG 4.38Å; V19-Y69 HydrophobicContact CB-CE2 4.4Å; V19-Y69 HydrophobicContact CG1-CD2 4.23Å; V19-Y69 HydrophobicContact CG1-CE2 4.28Å; V19-Y69 HydrophobicContact CG2-CD1 3.52Å; V19-Y69 HydrophobicContact CG2-CD2 3.73Å; V19-Y69 HydrophobicContact CG2-CE1 3.46Å; V19-Y69 VanDerWaalsContact CG2-CE1 3.46Å; V19-Y69 HydrophobicContact CG2-CE2 3.68Å; V19-Y69 HydrophobicContact CG2-CG 3.65Å; V65-Y69 HydrophobicContact CG1-CE2 4.16Å; V65-Y69 VanDerWaalsContact O-CD2 3.28Å; V65-Y69 WeakPolarHBondContact O-CD2 3.24Å; I66-Y69 WeakPolarHBondContact O-CB 3.45Å; I66-Y69 PolarHBondContact O-N 2.86Å; K67-Y69 PolarHBondContact O-N 3.22Å |
| 70 | G | 83.5 | Confident | 88 | Confident | 72 Ų | 72 | 56.8 Ų | 56.8 | 74% | 0.742 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.5 | 12.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | K67 | K67-G70 PolarHBondContact O-N 3.4Š|
| 71 | F | 86.9 | Confident | 87.9 | Confident | 31 Ų | 31 | 52.8 Ų | 52.8 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | trans | -80.9 | 150.6 | 167.8 | -70.1 | -100.1 | 0 | 0 | 0 | 110.4 | L11 I66 K67 G77 K80 F81 | L11-F71 HydrophobicContact CD1-CD2 4.36Å; L11-F71 HydrophobicContact CD1-CE2 3.28Å; L11-F71 HydrophobicContact CD1-CZ 3.68Å; L11-F71 HydrophobicContact CG-CE2 3.76Å; L11-F71 HydrophobicContact CG-CZ 4.17Å; I66-F71 HydrophobicContact CB-CB 3.84Å; I66-F71 HydrophobicContact CB-CD2 4.2Å; I66-F71 HydrophobicContact CB-CG 4.12Å; I66-F71 HydrophobicContact CD1-CB 3.89Å; I66-F71 HydrophobicContact CD1-CG 4.45Å; I66-F71 HydrophobicContact CG1-CB 3.73Å; I66-F71 HydrophobicContact CG1-CG 4.44Å; I66-F71 WeakPolarHBondContact O-CB 3.48Å; I66-F71 PolarHBondContact O-N 3.42Å; K67-F71 WeakPolarHBondContact CA-O 3.38Å; F71-G77 WeakPolarHBondContact CD1-O 3.25Å; F71-K80 HydrophobicContact CD1-CB 4.17Å; F71-K80 HydrophobicContact CE1-CB 4.04Å; F71-F81 HydrophobicContact CD1-CB 4.13Å; F71-F81 HydrophobicContact CE1-CB 4.01Å; F71-F81 HydrophobicContact CZ-CD2 4.44Å | ||
| 72 | S | 84.9 | Confident | 87.8 | Confident | 55 Ų | 55 | 55 Ų | 55 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | trans | -68.2 | 141.8 | 174.5 | -43.3 | 0 | 0 | 0 | 0 | 111.3 | D74 G77 | S72-D74 WeakPolarHBondContact CB-OD1 3.15Å; S72-D74 PolarHBondContact O-N 2.85Å; S72-G77 WeakPolarHBondContact O-CA 3.33Å | ||
| 73 | C | 83.4 | Confident | 87.7 | Confident | 74 Ų | 74 | 62.2 Ų | 62.2 | 50% | 0.5 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -77.3 | 42.5 | 178.7 | -49.5 | 0 | 0 | 0 | 0 | 112.7 | K67 | K67-C73 WeakPolarHBondContact CB-SG 3.4Š|
| 74 | D | 87.2 | Confident | 87.5 | Confident | 66 Ų | 66 | 62 Ų | 62 | 35% | 0.353 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -137.2 | 176.4 | -176 | 59.5 | -108.6 | 0 | 0 | 0 | 110.9 | Q63 S72 E76 G77 V78 | Q63-D74 PolarHBondContact NE2-O 3.35Å; S72-D74 WeakPolarHBondContact CB-OD1 3.15Å; S72-D74 PolarHBondContact O-N 2.85Å; D74-E76 PolarHBondContact O-N 2.89Å; D74-E76 VanDerWaalsContact OD2-CA 3.28Å; D74-E76 WeakPolarHBondContact OD2-CA 3.37Å; D74-E76 WeakPolarHBondContact OD2-CB 3.43Å; D74-E76 PolarHBondContact OD2-N 3.19Å; D74-G77 PolarHBondContact O-N 3.47Å; D74-G77 PolarHBondContact OD2-N 3.5Å; D74-G77 VanDerWaalsContact OD2-N 3.08Å; D74-V78 PolarHBondContact O-N 3.45Å |
| 75 | G | 82.1 | Confident | 87.4 | Confident | 48 Ų | 48 | 56.9 Ų | 56.9 | 50% | 0.495 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.4 | -29.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L79 | G75-L79 WeakPolarHBondContact O-CB 3.42Å; G75-L79 PolarHBondContact O-N 2.98Å |
| 76 | E | 87.1 | Confident | 87.3 | Confident | 115 Ų | 115 | 62.8 Ų | 62.8 | 54% | 0.537 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -71 | -40.4 | 177.2 | -161.5 | -169.5 | 145.6 | 0 | 0 | 111.2 | D74 L79 K80 | D74-E76 PolarHBondContact O-N 2.89Å; D74-E76 VanDerWaalsContact OD2-CA 3.28Å; D74-E76 WeakPolarHBondContact OD2-CA 3.37Å; D74-E76 WeakPolarHBondContact OD2-CB 3.43Å; D74-E76 PolarHBondContact OD2-N 3.19Å; E76-L79 PolarHBondContact O-N 3.45Å; E76-K80 WeakPolarHBondContact O-CB 3.35Å; E76-K80 WeakPolarHBondContact O-CG 2.94Å; E76-K80 PolarHBondContact O-N 3.48Å; E76-K80 WeakPolarHBondContact OE1-CE 3.35Å; E76-K80 IonicContact OE1-NZ 2.64Å; E76-K80 PolarHBondContact OE1-NZ 2.86Å |
| 77 | G | 87.6 | Confident | 87.3 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F71 S72 D74 L79 K80 F81 | F71-G77 WeakPolarHBondContact CD1-O 3.25Å; S72-G77 WeakPolarHBondContact O-CA 3.33Å; D74-G77 PolarHBondContact O-N 3.47Å; D74-G77 PolarHBondContact OD2-N 3.5Å; D74-G77 VanDerWaalsContact OD2-N 3.08Å; G77-L79 VanDerWaalsContact C-N 3.33Å; G77-L79 PolarHBondContact O-N 3.21Å; G77-K80 PolarHBondContact O-N 3.29Å; G77-F81 PolarHBondContact O-N 3.29Å |
| 78 | V | 89.1 | Confident | 87.4 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 10% | 0.097 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61 | -42.7 | 174.6 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | T59 Q62 Q63 I66 D74 K80 F81 A82 | T59-V78 HydrophobicContact CG2-CB 4.43Å; T59-V78 HydrophobicContact CG2-CG1 4.47Å; T59-V78 HydrophobicContact CG2-CG2 3.91Å; Q62-V78 HydrophobicContact CB-CG2 4.2Å; Q63-V78 HydrophobicContact CG-CG2 3.52Å; I66-V78 HydrophobicContact CD1-CB 4.41Å; I66-V78 HydrophobicContact CD1-CG2 3.76Å; D74-V78 PolarHBondContact O-N 3.45Å; V78-K80 PolarHBondContact O-N 2.7Å; V78-F81 PolarHBondContact O-N 3.41Å; V78-A82 WeakPolarHBondContact O-CB 3.48Å; V78-A82 PolarHBondContact O-N 3.25Å |
| 79 | L | 89.3 | Confident | 87.3 | Confident | 106 Ų | 106 | 63 Ų | 63 | 56% | 0.555 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.4 | -38.1 | 179.5 | -162.9 | 70.3 | 0 | 0 | 0 | 112.3 | G75 E76 G77 R83 | G75-L79 WeakPolarHBondContact O-CB 3.42Å; G75-L79 PolarHBondContact O-N 2.98Å; E76-L79 PolarHBondContact O-N 3.45Å; G77-L79 VanDerWaalsContact C-N 3.33Å; G77-L79 PolarHBondContact O-N 3.21Å; L79-R83 WeakPolarHBondContact O-CB 3.35Å; L79-R83 PolarHBondContact O-N 2.46Å |
| 80 | K | 89.4 | Confident | 87.2 | Confident | 94 Ų | 94 | 64.1 Ų | 64.1 | 41% | 0.409 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 173.3 | -76.7 | 173.3 | -176.5 | 156.7 | 0 | 111.2 | F71 E76 G77 V78 R83 L84 | F71-K80 HydrophobicContact CD1-CB 4.17Å; F71-K80 HydrophobicContact CE1-CB 4.04Å; E76-K80 WeakPolarHBondContact O-CB 3.35Å; E76-K80 WeakPolarHBondContact O-CG 2.94Å; E76-K80 PolarHBondContact O-N 3.48Å; E76-K80 WeakPolarHBondContact OE1-CE 3.35Å; E76-K80 IonicContact OE1-NZ 2.64Å; E76-K80 PolarHBondContact OE1-NZ 2.86Å; G77-K80 PolarHBondContact O-N 3.29Å; V78-K80 PolarHBondContact O-N 2.7Å; K80-R83 PolarHBondContact O-N 2.87Å; K80-L84 WeakPolarHBondContact O-CB 3.48Å; K80-L84 PolarHBondContact O-N 2.92Å |
| 81 | F | 89.6 | Confident | 87.3 | Confident | 5 Ų | 5 | 67.8 Ų | 67.8 | 2% | 0.022 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 175.9 | 176.5 | -108.3 | 0 | 0 | 0 | 111.6 | L11 V19 L20 I66 F71 G77 V78 R83 L84 V85 | L11-F81 HydrophobicContact CD1-CD2 4.2Å; L11-F81 HydrophobicContact CD1-CE2 4.26Å; V19-F81 HydrophobicContact CB-CE2 3.81Å; V19-F81 HydrophobicContact CB-CZ 4.06Å; V19-F81 HydrophobicContact CG1-CD2 4.16Å; V19-F81 HydrophobicContact CG1-CE1 4.44Å; V19-F81 HydrophobicContact CG1-CE2 3.32Å; V19-F81 HydrophobicContact CG1-CZ 3.49Å; V19-F81 VanDerWaalsContact CG1-CZ 3.49Å; L20-F81 HydrophobicContact CD2-CE1 4.1Å; L20-F81 HydrophobicContact CD2-CZ 3.99Å; L20-F81 HydrophobicContact CG-CZ 3.99Å; I66-F81 HydrophobicContact CD1-CB 4.43Å; I66-F81 HydrophobicContact CG2-CB 4.26Å; I66-F81 HydrophobicContact CG2-CD1 4Å; I66-F81 HydrophobicContact CG2-CD2 4.1Å; I66-F81 HydrophobicContact CG2-CE1 4.37Å; I66-F81 HydrophobicContact CG2-CE2 4.48Å; I66-F81 HydrophobicContact CG2-CG 3.84Å; F71-F81 HydrophobicContact CD1-CB 4.13Å; F71-F81 HydrophobicContact CE1-CB 4.01Å; F71-F81 HydrophobicContact CZ-CD2 4.44Å; G77-F81 PolarHBondContact O-N 3.29Å; V78-F81 PolarHBondContact O-N 3.41Å; F81-R83 VanDerWaalsContact C-N 3.3Å; F81-R83 PolarHBondContact O-N 3.16Å; F81-L84 WeakPolarHBondContact O-CB 3.4Å; F81-L84 PolarHBondContact O-N 3.34Å; F81-L84 VanDerWaalsContact O-N 3.14Å; F81-V85 HydrophobicContact CD1-CG2 4.29Å; F81-V85 HydrophobicContact CD2-CG2 4.24Å; F81-V85 HydrophobicContact CE1-CG2 3.84Å; F81-V85 HydrophobicContact CE2-CG2 3.76Å; F81-V85 HydrophobicContact CG-CG2 4.48Å; F81-V85 HydrophobicContact CZ-CG2 3.55Å; F81-V85 WeakPolarHBondContact O-CG2 3.42Å; F81-V85 PolarHBondContact O-N 3.37Å |
| 82 | A | 89.1 | Confident | 87.4 | Confident | 50 Ų | 50 | 67.9 Ų | 67.9 | 41% | 0.413 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.9 | -39.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V78 K86 | V78-A82 WeakPolarHBondContact O-CB 3.48Å; V78-A82 PolarHBondContact O-N 3.25Å; A82-K86 VanDerWaalsContact O-CB 3.32Å; A82-K86 WeakPolarHBondContact O-CB 3.42Å; A82-K86 PolarHBondContact O-N 2.9Å |
| 83 | R | 89.1 | Confident | 87.5 | Confident | 167 Ų | 167 | 70.4 Ų | 70.4 | 63% | 0.63 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -65.5 | -43.3 | 175.1 | -173.4 | -178.3 | -65.8 | 162.3 | 0.6 | 111.5 | L79 K80 F81 K86 S87 | L79-R83 WeakPolarHBondContact O-CB 3.35Å; L79-R83 PolarHBondContact O-N 2.46Å; K80-R83 PolarHBondContact O-N 2.87Å; F81-R83 VanDerWaalsContact C-N 3.3Å; F81-R83 PolarHBondContact O-N 3.16Å; R83-K86 PolarHBondContact O-N 3.14Å; R83-S87 PolarHBondContact O-N 3.31Å; R83-S87 PolarHBondContact O-OG 3.18Å |
| 84 | L | 88.4 | Confident | 87.8 | Confident | 29 Ų | 29 | 72 Ų | 72 | 15% | 0.152 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 177.6 | 178 | 139.7 | 0 | 0 | 0 | 111.3 | L11 A16 K80 F81 K86 S87 Y88 | L11-L84 HydrophobicContact CB-CD1 4.14Å; L11-L84 HydrophobicContact CB-CD2 4.04Å; L11-L84 HydrophobicContact CD1-CD2 4.31Å; A16-L84 HydrophobicContact CB-CD2 3.88Å; K80-L84 WeakPolarHBondContact O-CB 3.48Å; K80-L84 PolarHBondContact O-N 2.92Å; F81-L84 WeakPolarHBondContact O-CB 3.4Å; F81-L84 PolarHBondContact O-N 3.34Å; F81-L84 VanDerWaalsContact O-N 3.14Å; L84-K86 VanDerWaalsContact C-N 3.32Å; L84-K86 PolarHBondContact O-N 3.28Å; L84-S87 WeakPolarHBondContact O-CB 3.14Å; L84-S87 PolarHBondContact O-N 3.4Å; L84-Y88 HydrophobicContact CD1-CE2 4.32Å; L84-Y88 HydrophobicContact CD2-CD2 3.81Å; L84-Y88 HydrophobicContact CD2-CE2 3.67Å; L84-Y88 HydrophobicContact CG-CD2 4.07Å; L84-Y88 HydrophobicContact CG-CE2 3.71Å; L84-Y88 VanDerWaalsContact O-CD2 3.23Å; L84-Y88 WeakPolarHBondContact O-CD2 3.38Å; L84-Y88 PolarHBondContact O-N 3.32Å |
| 85 | V | 89.1 | Confident | 88 | Confident | 5 Ų | 5 | 68.9 Ų | 68.9 | 3% | 0.03 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -54.4 | -50.2 | 174.3 | 167.6 | 0 | 0 | 0 | 0 | 110.1 | L20 F81 S87 Y88 E89 I95 | L20-V85 HydrophobicContact CD1-CG1 3.86Å; L20-V85 HydrophobicContact CD1-CG2 4.02Å; L20-V85 HydrophobicContact CD2-CG1 4.24Å; L20-V85 HydrophobicContact CD2-CG2 4.04Å; L20-V85 HydrophobicContact CG-CG2 4.02Å; F81-V85 HydrophobicContact CD1-CG2 4.29Å; F81-V85 HydrophobicContact CD2-CG2 4.24Å; F81-V85 HydrophobicContact CE1-CG2 3.84Å; F81-V85 HydrophobicContact CE2-CG2 3.76Å; F81-V85 HydrophobicContact CG-CG2 4.48Å; F81-V85 HydrophobicContact CZ-CG2 3.55Å; F81-V85 WeakPolarHBondContact O-CG2 3.42Å; F81-V85 PolarHBondContact O-N 3.37Å; V85-S87 VanDerWaalsContact C-N 3.28Å; V85-S87 PolarHBondContact O-N 3.04Å; V85-Y88 CarbonylContact O-C 3.43Å; V85-Y88 WeakPolarHBondContact O-CA 3.49Å; V85-Y88 WeakPolarHBondContact O-CB 3.28Å; V85-Y88 PolarHBondContact O-N 3.01Å; V85-E89 HydrophobicContact CG1-CG 4.13Å; V85-E89 WeakPolarHBondContact O-CG 3.36Å; V85-E89 PolarHBondContact O-N 3.35Å; V85-I95 HydrophobicContact CG1-CG2 3.91Å |
| 86 | K | 88.4 | Confident | 88.4 | Confident | 143 Ų | 143 | 68.5 Ų | 68.5 | 62% | 0.622 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -59.3 | -33.8 | -179.8 | -172.8 | 167.2 | 176.5 | 127.3 | 0 | 114 | A82 R83 L84 Y88 | A82-K86 VanDerWaalsContact O-CB 3.32Å; A82-K86 WeakPolarHBondContact O-CB 3.42Å; A82-K86 PolarHBondContact O-N 2.9Å; R83-K86 PolarHBondContact O-N 3.14Å; L84-K86 VanDerWaalsContact C-N 3.32Å; L84-K86 PolarHBondContact O-N 3.28Å; K86-Y88 VanDerWaalsContact C-N 3.29Å |
| 87 | S | 89 | Confident | 88.6 | Confident | 72 Ų | 72 | 66 Ų | 66 | 50% | 0.503 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.5 | -30.6 | 173 | -67.3 | 0 | 0 | 0 | 0 | 112.8 | R83 L84 V85 Q91 | R83-S87 PolarHBondContact O-N 3.31Å; R83-S87 PolarHBondContact O-OG 3.18Å; L84-S87 WeakPolarHBondContact O-CB 3.14Å; L84-S87 PolarHBondContact O-N 3.4Å; V85-S87 VanDerWaalsContact C-N 3.28Å; V85-S87 PolarHBondContact O-N 3.04Å; S87-Q91 PolarHBondContact O-NE2 2.9Å |
| 88 | Y | 88.8 | Confident | 88.8 | Confident | 51 Ų | 51 | 67.4 Ų | 67.4 | 20% | 0.2 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -86.8 | -28.2 | 178 | -71 | -57 | 0 | 0 | 0 | 114 | L11 A13 A16 L84 V85 K86 A90 Q91 D92 I95 | L11-Y88 WeakPolarHBondContact O-CE2 3.11Å; L11-Y88 PolarHBondContact O-OH 3.32Å; A13-Y88 HydrophobicContact CB-CD1 3.74Å; A13-Y88 HydrophobicContact CB-CE1 3.87Å; A13-Y88 HydrophobicContact CB-CG 4.22Å; A16-Y88 HydrophobicContact CB-CD2 4Å; A16-Y88 HydrophobicContact CB-CE2 4.38Å; L84-Y88 HydrophobicContact CD1-CE2 4.32Å; L84-Y88 HydrophobicContact CD2-CD2 3.81Å; L84-Y88 HydrophobicContact CD2-CE2 3.67Å; L84-Y88 HydrophobicContact CG-CD2 4.07Å; L84-Y88 HydrophobicContact CG-CE2 3.71Å; L84-Y88 VanDerWaalsContact O-CD2 3.23Å; L84-Y88 WeakPolarHBondContact O-CD2 3.38Å; L84-Y88 PolarHBondContact O-N 3.32Å; V85-Y88 CarbonylContact O-C 3.43Å; V85-Y88 WeakPolarHBondContact O-CA 3.49Å; V85-Y88 WeakPolarHBondContact O-CB 3.28Å; V85-Y88 PolarHBondContact O-N 3.01Å; K86-Y88 VanDerWaalsContact C-N 3.29Å; Y88-A90 PolarHBondContact O-N 3.03Å; Y88-A90 VanDerWaalsContact O-N 3.13Å; Y88-Q91 PolarHBondContact O-N 3.42Å; Y88-D92 PolarHBondContact O-N 3.28Å; Y88-I95 HydrophobicContact CG-CD1 4.21Å |
| 89 | E | 86.6 | Confident | 88.8 | Confident | 53 Ų | 53 | 67.1 Ų | 67.1 | 25% | 0.248 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -52.8 | -34.8 | 175.5 | -68.6 | 176.3 | 164.1 | 0 | 0 | 112.9 | V85 Q91 I95 A96 S99 | V85-E89 HydrophobicContact CG1-CG 4.13Å; V85-E89 WeakPolarHBondContact O-CG 3.36Å; V85-E89 PolarHBondContact O-N 3.35Å; E89-Q91 PolarHBondContact O-N 3.45Å; E89-I95 HydrophobicContact CG-CG2 4.03Å; E89-A96 HydrophobicContact CB-CB 4.09Å; E89-A96 HydrophobicContact CG-CB 4.31Å; E89-S99 WeakPolarHBondContact OE1-CB 3.42Å; E89-S99 PolarHBondContact OE1-OG 3.36Å |
| 90 | A | 82.4 | Confident | 88.7 | Confident | 93 Ų | 93 | 64 Ų | 64 | 77% | 0.769 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -20.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y88 | Y88-A90 PolarHBondContact O-N 3.03Å; Y88-A90 VanDerWaalsContact O-N 3.13Å |
| 91 | Q | 86 | Confident | 88.7 | Confident | 149 Ų | 149 | 65.2 Ų | 65.2 | 70% | 0.696 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | -25.9 | -175.2 | -62.8 | 173 | 79.1 | 0 | 0 | 111.7 | S87 Y88 E89 | S87-Q91 PolarHBondContact O-NE2 2.9Å; Y88-Q91 PolarHBondContact O-N 3.42Å; E89-Q91 PolarHBondContact O-N 3.45Å |
| 92 | D | 87.9 | Confident | 88.7 | Confident | 33 Ų | 33 | 65.3 Ų | 65.3 | 18% | 0.176 | 36% | 0.363 | C | S | . | . | trans | -133 | 111.5 | -174 | -164.9 | -57.7 | 0 | 0 | 0 | 111.6 | K17 Y88 E94 I95 A96 | K17-D92 WeakPolarHBondContact CE-OD1 3.18Å; K17-D92 WeakPolarHBondContact CE-OD2 3.45Å; K17-D92 IonicContact NZ-OD1 3.34Å; K17-D92 PolarHBondContact NZ-OD1 3.45Å; K17-D92 IonicContact NZ-OD2 2.7Å; K17-D92 PolarHBondContact NZ-OD2 2.97Å; Y88-D92 PolarHBondContact O-N 3.28Å; D92-E94 PolarHBondContact O-N 3.18Å; D92-E94 WeakPolarHBondContact OD1-CA 3.48Å; D92-E94 WeakPolarHBondContact OD1-CB 3.3Å; D92-E94 PolarHBondContact OD1-N 2.98Å; D92-I95 HydrophobicContact CB-CB 4.17Å; D92-I95 HydrophobicContact CB-CD1 3.83Å; D92-I95 HydrophobicContact CB-CG1 3.99Å; D92-I95 PolarHBondContact O-N 2.86Å; D92-I95 PolarHBondContact OD1-N 3.35Å; D92-A96 PolarHBondContact O-N 2.71Å | ||
| 93 | P | 87.6 | Confident | 88.6 | Confident | 109 Ų | 109 | 67.7 Ų | 67.7 | 71% | 0.708 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -67.9 | -22 | -178.1 | 27.8 | -34.2 | 0 | 0 | 0 | 113.2 | A96 S97 | P93-A96 PolarHBondContact O-N 2.81Å; P93-S97 PolarHBondContact O-N 3.02Å |
| 94 | E | 90.8 | Very high | 88.5 | Confident | 108 Ų | 108 | 63.3 Ų | 63.3 | 51% | 0.505 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -72.3 | -41.4 | 176.7 | -169.6 | 173.8 | 68.4 | 0 | 0 | 110.7 | K17 D92 A96 S97 L98 | K17-E94 VanDerWaalsContact CD-OE1 3.25Å; K17-E94 WeakPolarHBondContact CD-OE1 3.48Å; K17-E94 VanDerWaalsContact CE-OE1 3.29Å; K17-E94 WeakPolarHBondContact CE-OE1 3.15Å; K17-E94 IonicContact NZ-OE1 2.79Å; K17-E94 PolarHBondContact NZ-OE1 2.78Å; D92-E94 PolarHBondContact O-N 3.18Å; D92-E94 WeakPolarHBondContact OD1-CA 3.48Å; D92-E94 WeakPolarHBondContact OD1-CB 3.3Å; D92-E94 PolarHBondContact OD1-N 2.98Å; E94-A96 VanDerWaalsContact C-N 3.31Å; E94-A96 PolarHBondContact O-N 2.81Å; E94-S97 WeakPolarHBondContact O-CB 3.45Å; E94-S97 PolarHBondContact O-N 3.32Å; E94-L98 HydrophobicContact CG-CD1 4.44Å; E94-L98 WeakPolarHBondContact O-CG 3.2Å; E94-L98 PolarHBondContact O-N 3.18Å |
| 95 | I | 90.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.1 | -43 | 172.8 | -66.9 | 176.9 | 0 | 0 | 0 | 110.3 | A13 A16 K17 L20 V85 Y88 E89 D92 S97 L98 S99 | A13-I95 HydrophobicContact CB-CD1 4.06Å; A13-I95 WeakPolarHBondContact O-CD1 3.32Å; A16-I95 HydrophobicContact CB-CD1 4.37Å; K17-I95 HydrophobicContact CD-CG1 4.22Å; K17-I95 HydrophobicContact CG-CD1 3.83Å; K17-I95 HydrophobicContact CG-CG1 3.35Å; L20-I95 HydrophobicContact CD1-CB 4.49Å; L20-I95 HydrophobicContact CD1-CG2 3.8Å; V85-I95 HydrophobicContact CG1-CG2 3.91Å; Y88-I95 HydrophobicContact CG-CD1 4.21Å; E89-I95 HydrophobicContact CG-CG2 4.03Å; D92-I95 HydrophobicContact CB-CB 4.17Å; D92-I95 HydrophobicContact CB-CD1 3.83Å; D92-I95 HydrophobicContact CB-CG1 3.99Å; D92-I95 PolarHBondContact O-N 2.86Å; D92-I95 PolarHBondContact OD1-N 3.35Å; I95-S97 VanDerWaalsContact C-N 3.34Å; I95-S97 PolarHBondContact O-N 3.27Å; I95-L98 PolarHBondContact O-N 3.1Å; I95-S99 VanDerWaalsContact O-CB 3.25Å; I95-S99 WeakPolarHBondContact O-CB 3.33Å; I95-S99 PolarHBondContact O-N 3.48Å |
| 96 | A | 90.3 | Very high | 88 | Confident | 39 Ų | 39 | 66 Ų | 66 | 32% | 0.322 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.7 | -42.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E89 D92 P93 E94 G100 | E89-A96 HydrophobicContact CB-CB 4.09Å; E89-A96 HydrophobicContact CG-CB 4.31Å; D92-A96 PolarHBondContact O-N 2.71Å; P93-A96 PolarHBondContact O-N 2.81Å; E94-A96 VanDerWaalsContact C-N 3.31Å; E94-A96 PolarHBondContact O-N 2.81Å; A96-G100 PolarHBondContact O-N 2.79Å |
| 97 | S | 91.4 | Very high | 87.5 | Confident | 64 Ų | 64 | 61.3 Ų | 61.3 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64 | -46.9 | 176.2 | -168.9 | 0 | 0 | 0 | 0 | 112.1 | P93 E94 I95 G100 K101 | P93-S97 PolarHBondContact O-N 3.02Å; E94-S97 WeakPolarHBondContact O-CB 3.45Å; E94-S97 PolarHBondContact O-N 3.32Å; I95-S97 VanDerWaalsContact C-N 3.34Å; I95-S97 PolarHBondContact O-N 3.27Å; S97-G100 PolarHBondContact O-N 3.43Å; S97-K101 WeakPolarHBondContact O-CG 3.45Å; S97-K101 PolarHBondContact O-N 2.95Å |
| 98 | L | 91.5 | Very high | 86.5 | Confident | 30 Ų | 30 | 58.7 Ų | 58.7 | 16% | 0.157 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.8 | -46.8 | 179.9 | -71.6 | 171.3 | 0 | 0 | 0 | 111.9 | K17 L20 I24 E94 I95 G100 K101 L102 | K17-L98 HydrophobicContact CB-CD1 4.34Å; L20-L98 HydrophobicContact CB-CB 4.03Å; L20-L98 HydrophobicContact CB-CD1 4.22Å; L20-L98 HydrophobicContact CD1-CB 4Å; I24-L98 HydrophobicContact CD1-CB 4.19Å; I24-L98 HydrophobicContact CD1-CD2 3.79Å; I24-L98 WeakPolarHBondContact CD1-O 3.43Å; E94-L98 HydrophobicContact CG-CD1 4.44Å; E94-L98 WeakPolarHBondContact O-CG 3.2Å; E94-L98 PolarHBondContact O-N 3.18Å; I95-L98 PolarHBondContact O-N 3.1Å; L98-G100 VanDerWaalsContact C-N 3.32Å; L98-G100 PolarHBondContact O-N 2.79Å; L98-K101 WeakPolarHBondContact O-CB 3.47Å; L98-K101 PolarHBondContact O-N 2.96Å; L98-L102 WeakPolarHBondContact O-CB 3.26Å; L98-L102 PolarHBondContact O-N 3.47Å |
| 99 | S | 89.3 | Confident | 85.1 | Confident | 9 Ų | 9 | 62.2 Ų | 62.2 | 6% | 0.063 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.7 | -44.3 | 173.8 | 167.7 | 0 | 0 | 0 | 0 | 112.2 | E89 I95 K101 L102 K103 | E89-S99 WeakPolarHBondContact OE1-CB 3.42Å; E89-S99 PolarHBondContact OE1-OG 3.36Å; I95-S99 VanDerWaalsContact O-CB 3.25Å; I95-S99 WeakPolarHBondContact O-CB 3.33Å; I95-S99 PolarHBondContact O-N 3.48Å; S99-K101 VanDerWaalsContact C-N 3.35Å; S99-K101 PolarHBondContact O-N 3.35Å; S99-L102 PolarHBondContact O-N 2.72Å; S99-K103 WeakPolarHBondContact O-CB 3.23Å; S99-K103 VanDerWaalsContact O-CG 3.3Å; S99-K103 WeakPolarHBondContact O-CG 3.28Å; S99-K103 PolarHBondContact O-N 3.21Å |
| 100 | G | 88.6 | Confident | 83.4 | Confident | 40 Ų | 40 | 66 Ų | 66 | 41% | 0.412 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.9 | -46.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A96 S97 L98 K103 A104 | A96-G100 PolarHBondContact O-N 2.79Å; S97-G100 PolarHBondContact O-N 3.43Å; L98-G100 VanDerWaalsContact C-N 3.32Å; L98-G100 PolarHBondContact O-N 2.79Å; G100-K103 PolarHBondContact O-N 3.12Å; G100-A104 WeakPolarHBondContact O-CB 3.43Å; G100-A104 PolarHBondContact O-N 3.26Å |
| 101 | K | 89.6 | Confident | 81.5 | Confident | 121 Ų | 121 | 67.9 Ų | 67.9 | 53% | 0.526 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.6 | -48.4 | 175.2 | -72.8 | 175.7 | -175.7 | 177.8 | 0 | 111.7 | I24 S97 L98 S99 K103 A104 L105 | I24-K101 HydrophobicContact CD1-CB 4.25Å; S97-K101 WeakPolarHBondContact O-CG 3.45Å; S97-K101 PolarHBondContact O-N 2.95Å; L98-K101 WeakPolarHBondContact O-CB 3.47Å; L98-K101 PolarHBondContact O-N 2.96Å; S99-K101 VanDerWaalsContact C-N 3.35Å; S99-K101 PolarHBondContact O-N 3.35Å; K101-K103 VanDerWaalsContact C-N 3.34Å; K101-K103 PolarHBondContact O-N 3.02Å; K101-A104 WeakPolarHBondContact O-CB 3.34Å; K101-A104 PolarHBondContact O-N 3.13Å; K101-L105 WeakPolarHBondContact O-CG 3.29Å; K101-L105 PolarHBondContact O-N 3.33Å |
| 102 | L | 89.3 | Confident | 79.3 | Confident | 7 Ų | 7 | 67 Ų | 67 | 4% | 0.037 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.2 | -48.1 | 179.1 | 174.4 | 55 | 0 | 0 | 0 | 111.3 | L20 V23 I24 F27 L98 S99 A104 L105 F106 | L20-L102 HydrophobicContact CD2-CD2 3.62Å; V23-L102 HydrophobicContact CB-CD1 4.5Å; V23-L102 HydrophobicContact CB-CD2 4.41Å; V23-L102 HydrophobicContact CG1-CD1 3.42Å; V23-L102 VanDerWaalsContact CG1-CD1 3.42Å; V23-L102 HydrophobicContact CG1-CD2 3.81Å; V23-L102 HydrophobicContact CG1-CG 4.27Å; I24-L102 HydrophobicContact CD1-CB 4.33Å; I24-L102 HydrophobicContact CG1-CB 3.96Å; I24-L102 HydrophobicContact CG1-CD1 4.37Å; F27-L102 HydrophobicContact CD2-CD1 3.9Å; F27-L102 HydrophobicContact CE2-CD1 3.59Å; F27-L102 HydrophobicContact CZ-CD1 4.27Å; L98-L102 WeakPolarHBondContact O-CB 3.26Å; L98-L102 PolarHBondContact O-N 3.47Å; S99-L102 PolarHBondContact O-N 2.72Å; L102-A104 VanDerWaalsContact C-N 3.31Å; L102-A104 PolarHBondContact O-N 3.03Å; L102-L105 HydrophobicContact CD1-CD1 4.49Å; L102-L105 WeakPolarHBondContact O-CB 3.43Å; L102-L105 PolarHBondContact O-N 2.94Å; L102-L105 VanDerWaalsContact O-N 3.14Å; L102-F106 HydrophobicContact CD1-CD1 4.49Å; L102-F106 HydrophobicContact CD1-CE1 4.16Å; L102-F106 HydrophobicContact CG-CE1 4.04Å; L102-F106 WeakPolarHBondContact O-CD1 3.48Å; L102-F106 WeakPolarHBondContact O-CE1 3.4Å |
| 103 | K | 86.6 | Confident | 76.9 | Confident | 100 Ų | 100 | 70.4 Ų | 70.4 | 44% | 0.435 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.2 | -36.3 | 178.4 | -70.9 | 172.4 | 71.8 | 177.7 | 0 | 112.4 | S99 G100 K101 L105 F106 L107 | S99-K103 WeakPolarHBondContact O-CB 3.23Å; S99-K103 VanDerWaalsContact O-CG 3.3Å; S99-K103 WeakPolarHBondContact O-CG 3.28Å; S99-K103 PolarHBondContact O-N 3.21Å; G100-K103 PolarHBondContact O-N 3.12Å; K101-K103 VanDerWaalsContact C-N 3.34Å; K101-K103 PolarHBondContact O-N 3.02Å; K103-L105 PolarHBondContact O-N 3.13Å; K103-F106 HydrophobicContact CB-CZ 4.44Å; K103-F106 HydrophobicContact CG-CZ 4.09Å; K103-F106 PolarHBondContact O-N 2.75Å; K103-L107 HydrophobicContact CB-CD1 4.06Å; K103-L107 VanDerWaalsContact O-CB 3.23Å; K103-L107 WeakPolarHBondContact O-CB 3.33Å; K103-L107 WeakPolarHBondContact O-CG 3.33Å; K103-L107 PolarHBondContact O-N 3.18Å |
| 104 | A | 86.4 | Confident | 74.6 | Confident | 74 Ų | 74 | 71 Ų | 71 | 61% | 0.612 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -66.5 | -18.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G100 K101 L102 | G100-A104 WeakPolarHBondContact O-CB 3.43Å; G100-A104 PolarHBondContact O-N 3.26Å; K101-A104 WeakPolarHBondContact O-CB 3.34Å; K101-A104 PolarHBondContact O-N 3.13Å; L102-A104 VanDerWaalsContact C-N 3.31Å; L102-A104 PolarHBondContact O-N 3.03Å |
| 105 | L | 85.2 | Confident | 72.4 | Confident | 69 Ų | 69 | 73.8 Ų | 73.8 | 36% | 0.361 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -74.6 | -28.9 | 177.6 | -65.5 | 169.8 | 0 | 0 | 0 | 113 | I24 F27 M36 K101 L102 K103 | I24-L105 HydrophobicContact CG2-CD1 4.44Å; F27-L105 HydrophobicContact CB-CD1 3.73Å; F27-L105 HydrophobicContact CD1-CB 4.17Å; F27-L105 HydrophobicContact CD1-CD1 4.31Å; F27-L105 HydrophobicContact CD2-CD1 4.37Å; F27-L105 HydrophobicContact CG-CD1 3.9Å; M36-L105 WeakPolarHBondContact CE-O 3.46Å; K101-L105 WeakPolarHBondContact O-CG 3.29Å; K101-L105 PolarHBondContact O-N 3.33Å; L102-L105 HydrophobicContact CD1-CD1 4.49Å; L102-L105 WeakPolarHBondContact O-CB 3.43Å; L102-L105 PolarHBondContact O-N 2.94Å; L102-L105 VanDerWaalsContact O-N 3.14Å; K103-L105 PolarHBondContact O-N 3.13Å |
| 106 | F | 82.3 | Confident | 70 | Confident | 23 Ų | 23 | 76.8 Ų | 76.8 | 10% | 0.101 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -126.7 | -13.6 | -173.5 | 65 | -99.5 | 0 | 0 | 0 | 114.8 | F27 M36 V54 L55 A58 L102 K103 | F27-F106 HydrophobicContact CE1-CB 4.43Å; F27-F106 HydrophobicContact CE1-CD1 4.41Å; F27-F106 HydrophobicContact CZ-CD1 4.12Å; M36-F106 HydrophobicContact CE-CB 3.91Å; V54-F106 HydrophobicContact CG1-CB 4.21Å; L55-F106 HydrophobicContact CD1-CD2 3.83Å; L55-F106 HydrophobicContact CD1-CE2 4.05Å; A58-F106 HydrophobicContact CB-CB 3.3Å; A58-F106 HydrophobicContact CB-CD1 4.02Å; A58-F106 HydrophobicContact CB-CD2 4.3Å; A58-F106 HydrophobicContact CB-CG 3.65Å; L102-F106 HydrophobicContact CD1-CD1 4.49Å; L102-F106 HydrophobicContact CD1-CE1 4.16Å; L102-F106 HydrophobicContact CG-CE1 4.04Å; L102-F106 WeakPolarHBondContact O-CD1 3.48Å; L102-F106 WeakPolarHBondContact O-CE1 3.4Å; K103-F106 HydrophobicContact CB-CZ 4.44Å; K103-F106 HydrophobicContact CG-CZ 4.09Å; K103-F106 PolarHBondContact O-N 2.75Å |
| 107 | L | 78.4 | Confident | 68 | Low | 44 Ų | 44 | 81.1 Ų | 81.1 | 23% | 0.23 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -92 | 138.8 | 168.5 | -60.6 | 179.3 | 0 | 0 | 0 | 109.1 | L51 K103 | L51-L107 HydrophobicContact CD2-CD2 4.43Å; K103-L107 HydrophobicContact CB-CD1 4.06Å; K103-L107 VanDerWaalsContact O-CB 3.23Å; K103-L107 WeakPolarHBondContact O-CB 3.33Å; K103-L107 WeakPolarHBondContact O-CG 3.33Å; K103-L107 PolarHBondContact O-N 3.18Å |
| 108 | P | 68.3 | Low | 66.1 | Low | 16 Ų | 16 | 83 Ų | 83 | 10% | 0.104 | 50% | 0.504 | C | S | . | . | trans | -56.2 | 151.7 | 168.5 | 24.2 | -32.1 | 0 | 0 | 0 | 109.6 | M47 M50 M110 | M47-P108 HydrophobicContact CE-CG 3.49Å; M47-P108 VanDerWaalsContact CE-CG 3.49Å; M47-P108 HydrophobicContact CG-CG 3.91Å; M47-P108 HydrophobicContact SD-CB 4.37Å; M47-P108 HydrophobicContact SD-CG 3.65Å; M50-P108 HydrophobicContact CE-CB 4.09Å; M50-P108 HydrophobicContact SD-CB 3.89Å; P108-M110 VanDerWaalsContact C-N 3.3Å; P108-M110 PolarHBondContact O-N 3.16Å | ||
| 109 | P | 58.9 | Low | 64 | Low | 125 Ų | 125 | 86.2 Ų | 86.2 | 81% | 0.812 | 54% | 0.535 | S | S | * | . | trans | -58.7 | 96.3 | 176.5 | 23.9 | -32.1 | 0 | 0 | 0 | 108.8 | T111 | P109-T111 PolarHBondContact O-N 2.81Å; P109-T111 VanDerWaalsContact O-N 3.13Å | ||
| 110 | M | 50.8 | Low | 61.7 | Low | 134 Ų | 134 | 89.7 Ų | 89.7 | 66% | 0.66 | 57% | 0.572 | S | S | * | * | trans | -71.5 | 109.4 | 166.9 | -69 | -155.3 | -69.5 | 0 | 0 | 104.8 | P108 L112 | P108-M110 VanDerWaalsContact C-N 3.3Å; P108-M110 PolarHBondContact O-N 3.16Å; M110-L112 PolarHBondContact O-N 2.86Å | ||
| 111 | T | 41.7 | Very low | 59.8 | Low | 132 Ų | 132 | 91.6 Ų | 91.6 | 81% | 0.81 | 59% | 0.592 | S | S | * | * | trans | -56.6 | 94.4 | 161.5 | 53.3 | 0 | 0 | 0 | 0 | 105.8 | P109 P113 | P109-T111 PolarHBondContact O-N 2.81Å; P109-T111 VanDerWaalsContact O-N 3.13Å; T111-P113 WeakPolarHBondContact O-CD 3.29Å; T111-P113 VanDerWaalsContact O-N 3.12Å | ||
| 112 | L | 39.7 | Very low | 57.9 | Low | 129 Ų | 129 | 91 Ų | 91 | 68% | 0.675 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 121.4 | 164.6 | -85.6 | 155.7 | 0 | 0 | 0 | 104.9 | M110 | M110-L112 PolarHBondContact O-N 2.86Š|
| 113 | P | 38.8 | Very low | 55.7 | Low | 105 Ų | 105 | 98 Ų | 98 | 68% | 0.682 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 136 | 161.5 | 23.1 | -29.7 | 0 | 0 | 0 | 106.1 | T111 H115 | T111-P113 WeakPolarHBondContact O-CD 3.29Å; T111-P113 VanDerWaalsContact O-N 3.12Å; P113-H115 PolarHBondContact O-N 2.73Å; P113-H115 VanDerWaalsContact O-N 3.16Å |
| 114 | P | 37.8 | Very low | 53.8 | Low | 122 Ų | 122 | 97.2 Ų | 97.2 | 79% | 0.792 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 131.2 | -177.9 | 21.5 | -32 | 0 | 0 | 0 | 107.6 | G116 | P114-G116 VanDerWaalsContact C-N 3.31Å; P114-G116 PolarHBondContact O-N 3.16Å |
| 115 | H | 44.4 | Very low | 51.8 | Low | 167 Ų | 167 | 98 Ų | 98 | 77% | 0.773 | 66% | 0.664 | S | S | * | * | trans | -49.1 | 99.8 | 174.3 | -75.1 | -103.2 | 0 | 0 | 0 | 108.4 | P113 | P113-H115 PolarHBondContact O-N 2.73Å; P113-H115 VanDerWaalsContact O-N 3.16Å | ||
| 116 | G | 40 | Very low | 50.2 | Low | 62 Ų | 62 | 104.2 Ų | 104.2 | 64% | 0.639 | 71% | 0.714 | S | S | * | * | trans | -70.2 | 128.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | P114 A118 | P114-G116 VanDerWaalsContact C-N 3.31Å; P114-G116 PolarHBondContact O-N 3.16Å; G116-A118 PolarHBondContact O-N 2.93Å | ||
| 117 | P | 49.3 | Very low | 48.6 | Very low | 130 Ų | 130 | 108.3 Ų | 108.3 | 84% | 0.844 | 74% | 0.744 | S | S | * | * | trans | -66 | 104.8 | 173.5 | 27.1 | -30.1 | 0 | 0 | 0 | 107.8 | A119 | P117-A119 VanDerWaalsContact C-N 3.34Å; P117-A119 PolarHBondContact O-N 3.08Å; P117-A119 VanDerWaalsContact O-N 3.16Å | ||
| 118 | A | 51.5 | Low | 47 | Very low | 104 Ų | 104 | 111.7 Ų | 111.7 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -79.1 | 87.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108 | G116 | G116-A118 PolarHBondContact O-N 2.93Š| ||
| 119 | A | 46.8 | Very low | 45.8 | Very low | 98 Ų | 98 | 117 Ų | 117 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | 164.6 | 128.2 | 147.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P117 | P117-A119 VanDerWaalsContact C-N 3.34Å; P117-A119 PolarHBondContact O-N 3.08Å; P117-A119 VanDerWaalsContact O-N 3.16Å | ||
| 120 | G | 41.8 | Very low | 45.1 | Very low | 81 Ų | 81 | 116.5 Ų | 116.5 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | 141 | 88.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 121 | G | 47.9 | Very low | 44.7 | Very low | 81 Ų | 81 | 115.4 Ų | 115.4 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | -63.9 | 159.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 122 | S | 50 | Low | 44.9 | Very low | 109 Ų | 109 | 114.3 Ų | 114.3 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | trans | 155.5 | 101.3 | 132.2 | -162.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 123 | V | 43.7 | Very low | 45.3 | Very low | 152 Ų | 152 | 113.3 Ų | 113.3 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | trans | -119.2 | 102.1 | 152.2 | -71.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 124 | A | 46.2 | Very low | 45.8 | Very low | 84 Ų | 84 | 113.9 Ų | 113.9 | 69% | 0.694 | 84% | 0.84 | S | S | * | * | trans | -69.1 | 150.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 125 | A | 45.4 | Very low | 46.4 | Very low | 91 Ų | 91 | 113.3 Ų | 113.3 | 75% | 0.752 | 84% | 0.844 | S | S | * | * | trans | 56.1 | 110.9 | 143.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 126 | S | 50.2 | Low | 46.6 | Very low | 200 Ų | 200 | 108.4 Ų | 108.4 | 100% | 1.399 | 85% | 0.85 | S | S | * | * | -167.8 | 0 | 102.4 | -72.7 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 126 of 126 residues in 81.3 ms
(Link to these results)