| 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 | 35.4 | Very low | 52.8 | Low | 248 Ų | 248 | 116.7 Ų | 116.7 | 100% | 1.222 | 66% | 0.659 | S | S | * | * | 0 | 79.3 | 0 | -69.5 | 179.6 | -68.9 | 0 | 0 | 107.2 | |||||
| 2 | G | 38.4 | Very low | 55.3 | Low | 76 Ų | 76 | 109.2 Ų | 109.2 | 78% | 0.784 | 63% | 0.627 | S | S | * | * | trans | -91.4 | 120 | 175.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | E4 | G2-E4 PolarHBondContact O-N 3.22Š| ||
| 3 | A | 41.2 | Very low | 57.7 | Low | 76 Ų | 76 | 102.5 Ų | 102.5 | 63% | 0.628 | 60% | 0.596 | S | S | * | * | trans | -70.1 | 109.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | W5 | A3-W5 VanDerWaalsContact O-CD1 3.25Å; A3-W5 PolarHBondContact O-N 3.38Å; A3-W5 VanDerWaalsContact O-N 3.12Å | ||
| 4 | E | 39.8 | Very low | 59.8 | Low | 170 Ų | 170 | 95.8 Ų | 95.8 | 79% | 0.794 | 56% | 0.558 | S | S | * | * | trans | -62 | 109.3 | 170.3 | -113 | 168 | 143.3 | 0 | 0 | 107.9 | G2 E6 | G2-E4 PolarHBondContact O-N 3.22Å; E4-E6 PolarHBondContact O-N 3.07Å | ||
| 5 | W | 41.6 | Very low | 61.7 | Low | 201 Ų | 201 | 94.3 Ų | 94.3 | 76% | 0.761 | 55% | 0.546 | S | S | * | . | trans | -77.9 | 58 | 172.6 | -60.9 | 96.8 | 0 | 0 | 0 | 109.8 | A3 L7 | A3-W5 VanDerWaalsContact O-CD1 3.25Å; A3-W5 PolarHBondContact O-N 3.38Å; A3-W5 VanDerWaalsContact O-N 3.12Å; W5-L7 PolarHBondContact O-N 3.23Å; W5-L7 VanDerWaalsContact O-N 3.12Å | ||
| 6 | E | 46.5 | Very low | 63.5 | Low | 165 Ų | 165 | 96.4 Ų | 96.4 | 77% | 0.771 | 55% | 0.554 | S | S | * | * | trans | -79.5 | 94.8 | 168.9 | -71.2 | -133.7 | 144.5 | 0 | 0 | 108.3 | E4 G8 | E4-E6 PolarHBondContact O-N 3.07Å; E6-G8 PolarHBondContact O-N 2.79Å | ||
| 7 | L | 56.9 | Low | 65.2 | Low | 102 Ų | 102 | 92.6 Ų | 92.6 | 53% | 0.534 | 53% | 0.531 | S | S | . | . | trans | -56.8 | 110 | 161.5 | -84.7 | 153.8 | 0 | 0 | 0 | 107.2 | W5 A11 L15 | W5-L7 PolarHBondContact O-N 3.23Å; W5-L7 VanDerWaalsContact O-N 3.12Å; L7-A11 HydrophobicContact CB-CB 4.41Å; L7-A11 HydrophobicContact CD2-CB 3.59Å; L7-L15 HydrophobicContact CD1-CD1 4.12Å; L7-L15 HydrophobicContact CD2-CD1 3.94Å | ||
| 8 | G | 65.6 | Low | 66.7 | Low | 45 Ų | 45 | 89.3 Ų | 89.3 | 46% | 0.464 | 51% | 0.514 | S | S | . | . | trans | -53.7 | 152.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E6 E10 A11 G12 | E6-G8 PolarHBondContact O-N 2.79Å; G8-E10 PolarHBondContact O-N 3.05Å; G8-A11 WeakPolarHBondContact O-CA 3.39Å; G8-A11 WeakPolarHBondContact O-CB 3.34Å; G8-A11 PolarHBondContact O-N 3.35Å; G8-G12 PolarHBondContact O-N 2.95Å | ||
| 9 | A | 67.3 | Low | 68.1 | Low | 97 Ų | 97 | 87.4 Ų | 87.4 | 80% | 0.802 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -51.3 | -32.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G12 G13 | A9-G12 PolarHBondContact O-N 2.95Å; A9-G13 PolarHBondContact O-N 3Å |
| 10 | E | 72 | Confident | 69.5 | Low | 102 Ų | 102 | 85.9 Ų | 85.9 | 48% | 0.477 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.4 | -41 | 175.5 | -58.7 | -165.9 | 146.2 | 0 | 0 | 113.1 | G8 G12 G13 S14 | G8-E10 PolarHBondContact O-N 3.05Å; E10-G12 VanDerWaalsContact C-N 3.32Å; E10-G13 PolarHBondContact O-N 3.1Å; E10-S14 WeakPolarHBondContact O-CB 3.45Å; E10-S14 PolarHBondContact O-N 3.38Å; E10-S14 PolarHBondContact O-OG 3.34Å |
| 11 | A | 76.5 | Confident | 70.7 | Confident | 2 Ų | 2 | 82.7 Ų | 82.7 | 2% | 0.017 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L7 G8 S14 L15 E83 | L7-A11 HydrophobicContact CB-CB 4.41Å; L7-A11 HydrophobicContact CD2-CB 3.59Å; G8-A11 WeakPolarHBondContact O-CA 3.39Å; G8-A11 WeakPolarHBondContact O-CB 3.34Å; G8-A11 PolarHBondContact O-N 3.35Å; A11-S14 PolarHBondContact O-N 3.17Å; A11-L15 WeakPolarHBondContact O-CB 3.38Å; A11-L15 VanDerWaalsContact O-CG 3.3Å; A11-L15 WeakPolarHBondContact O-CG 3.1Å; A11-L15 PolarHBondContact O-N 3.05Å; A11-E83 HydrophobicContact CB-CG 4.16Å |
| 12 | G | 82.7 | Confident | 73.6 | Confident | 26 Ų | 26 | 74.9 Ų | 74.9 | 27% | 0.268 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.4 | -48.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G8 A9 E10 S14 L15 L16 | G8-G12 PolarHBondContact O-N 2.95Å; A9-G12 PolarHBondContact O-N 2.95Å; E10-G12 VanDerWaalsContact C-N 3.32Å; G12-S14 VanDerWaalsContact C-N 3.35Å; G12-S14 PolarHBondContact O-N 3.49Å; G12-L15 PolarHBondContact O-N 3.37Å; G12-L16 WeakPolarHBondContact O-CB 3.37Å; G12-L16 VanDerWaalsContact O-CG 3.29Å; G12-L16 WeakPolarHBondContact O-CG 3.41Å; G12-L16 PolarHBondContact O-N 3.04Å |
| 13 | G | 86.4 | Confident | 76.4 | Confident | 22 Ų | 22 | 74.1 Ų | 74.1 | 23% | 0.227 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A9 E10 L16 L17 | A9-G13 PolarHBondContact O-N 3Å; E10-G13 PolarHBondContact O-N 3.1Å; G13-L16 PolarHBondContact O-N 3.49Å; G13-L17 PolarHBondContact O-N 3.5Å |
| 14 | S | 87.3 | Confident | 79.1 | Confident | 9 Ų | 9 | 72.5 Ų | 72.5 | 6% | 0.063 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 178.5 | -55.1 | 0 | 0 | 0 | 0 | 111.9 | E10 A11 G12 L16 L17 C18 L80 | E10-S14 WeakPolarHBondContact O-CB 3.45Å; E10-S14 PolarHBondContact O-N 3.38Å; E10-S14 PolarHBondContact O-OG 3.34Å; A11-S14 PolarHBondContact O-N 3.17Å; G12-S14 VanDerWaalsContact C-N 3.35Å; G12-S14 PolarHBondContact O-N 3.49Å; S14-L16 PolarHBondContact O-N 3.33Å; S14-L17 PolarHBondContact O-N 3.02Å; S14-C18 PolarHBondContact O-N 3.46Å; S14-C18 PolarHBondContact O-SG 3.14Å; S14-C18 VanDerWaalsContact O-SG 3.4Å; S14-L80 VanDerWaalsContact OG-CA 3.26Å; S14-L80 WeakPolarHBondContact OG-CA 3.45Å |
| 15 | L | 87.6 | Confident | 81.7 | Confident | 73 Ų | 73 | 64.4 Ų | 64.4 | 38% | 0.382 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 176.3 | -74.2 | 171.1 | 0 | 0 | 0 | 112.1 | L7 A11 G12 L17 C18 A19 | L7-L15 HydrophobicContact CD1-CD1 4.12Å; L7-L15 HydrophobicContact CD2-CD1 3.94Å; A11-L15 WeakPolarHBondContact O-CB 3.38Å; A11-L15 VanDerWaalsContact O-CG 3.3Å; A11-L15 WeakPolarHBondContact O-CG 3.1Å; A11-L15 PolarHBondContact O-N 3.05Å; G12-L15 PolarHBondContact O-N 3.37Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L15-L17 PolarHBondContact O-N 3.36Å; L15-C18 PolarHBondContact O-N 3.1Å; L15-A19 VanDerWaalsContact O-CB 3.29Å; L15-A19 WeakPolarHBondContact O-CB 3.46Å; L15-A19 PolarHBondContact O-N 3.46Å |
| 16 | L | 90.9 | Very high | 84.4 | Confident | 128 Ų | 128 | 56.7 Ų | 56.7 | 67% | 0.67 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61.7 | -40.9 | 175.7 | -75.1 | 171.7 | 0 | 0 | 0 | 111.6 | G12 G13 S14 A19 A20 | G12-L16 WeakPolarHBondContact O-CB 3.37Å; G12-L16 VanDerWaalsContact O-CG 3.29Å; G12-L16 WeakPolarHBondContact O-CG 3.41Å; G12-L16 PolarHBondContact O-N 3.04Å; G13-L16 PolarHBondContact O-N 3.49Å; S14-L16 PolarHBondContact O-N 3.33Å; L16-A19 PolarHBondContact O-N 3.06Å; L16-A20 VanDerWaalsContact O-CB 3.27Å; L16-A20 WeakPolarHBondContact O-CB 3.49Å; L16-A20 PolarHBondContact O-N 2.95Å |
| 17 | L | 92.3 | Very high | 86.8 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 17% | 0.168 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.2 | -49.3 | 175.1 | 177.6 | 60.5 | 0 | 0 | 0 | 111.5 | G13 S14 L15 A19 A20 L21 L57 L76 I77 L80 | G13-L17 PolarHBondContact O-N 3.5Å; S14-L17 PolarHBondContact O-N 3.02Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L15-L17 PolarHBondContact O-N 3.36Å; L17-A19 VanDerWaalsContact C-N 3.3Å; L17-A19 PolarHBondContact O-N 3.47Å; L17-A20 PolarHBondContact O-N 3.47Å; L17-L21 HydrophobicContact CD1-CD1 4.3Å; L17-L21 HydrophobicContact CD1-CG 4.23Å; L17-L21 HydrophobicContact CG-CD1 4.29Å; L17-L21 WeakPolarHBondContact O-CG 3.48Å; L17-L21 PolarHBondContact O-N 3.42Å; L17-L57 HydrophobicContact CD2-CD2 3.82Å; L17-L57 HydrophobicContact CG-CD2 4.31Å; L17-L76 HydrophobicContact CB-CD2 4.27Å; L17-L76 HydrophobicContact CD1-CD2 4.33Å; L17-L76 HydrophobicContact CD2-CD2 4.01Å; L17-L76 HydrophobicContact CD2-CG 4.05Å; L17-L76 HydrophobicContact CG-CD2 4.44Å; L17-I77 HydrophobicContact CD2-CD1 3.47Å; L17-I77 VanDerWaalsContact CD2-CD1 3.47Å; L17-L80 HydrophobicContact CD2-CD1 3.83Å; L17-L80 HydrophobicContact CG-CD1 4.41Å |
| 18 | C | 92.3 | Very high | 88.7 | Confident | 34 Ų | 34 | 50.5 Ų | 50.5 | 23% | 0.23 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.5 | -42.9 | 176.9 | -69.1 | 0 | 0 | 0 | 0 | 111.9 | S14 L15 L21 L22 | S14-C18 PolarHBondContact O-N 3.46Å; S14-C18 PolarHBondContact O-SG 3.14Å; S14-C18 VanDerWaalsContact O-SG 3.4Å; L15-C18 PolarHBondContact O-N 3.1Å; C18-L21 PolarHBondContact O-N 3.06Å; C18-L22 WeakPolarHBondContact O-CB 3.48Å; C18-L22 PolarHBondContact O-N 3.49Å |
| 19 | A | 93.5 | Very high | 90.1 | Very high | 53 Ų | 53 | 48.4 Ų | 48.4 | 44% | 0.438 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L15 L16 L17 L22 A23 | L15-A19 VanDerWaalsContact O-CB 3.29Å; L15-A19 WeakPolarHBondContact O-CB 3.46Å; L15-A19 PolarHBondContact O-N 3.46Å; L16-A19 PolarHBondContact O-N 3.06Å; L17-A19 VanDerWaalsContact C-N 3.3Å; L17-A19 PolarHBondContact O-N 3.47Å; A19-L22 PolarHBondContact O-N 2.99Å; A19-A23 WeakPolarHBondContact O-CB 3.39Å; A19-A23 PolarHBondContact O-N 3.28Å |
| 20 | A | 95.7 | Very high | 91.4 | Very high | 57 Ų | 57 | 47.3 Ų | 47.3 | 47% | 0.471 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65 | -42.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L16 L17 A23 A24 | L16-A20 VanDerWaalsContact O-CB 3.27Å; L16-A20 WeakPolarHBondContact O-CB 3.49Å; L16-A20 PolarHBondContact O-N 2.95Å; L17-A20 PolarHBondContact O-N 3.47Å; A20-A23 PolarHBondContact O-N 3.04Å; A20-A24 WeakPolarHBondContact O-CB 3.46Å; A20-A24 PolarHBondContact O-N 3.47Å |
| 21 | L | 95.8 | Very high | 92.5 | Very high | 19 Ų | 19 | 51.4 Ų | 51.4 | 10% | 0.099 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 175.2 | -68.4 | 175.2 | 0 | 0 | 0 | 111.6 | L17 C18 A24 G25 Y49 L52 A56 L57 | L17-L21 HydrophobicContact CD1-CD1 4.3Å; L17-L21 HydrophobicContact CD1-CG 4.23Å; L17-L21 HydrophobicContact CG-CD1 4.29Å; L17-L21 WeakPolarHBondContact O-CG 3.48Å; L17-L21 PolarHBondContact O-N 3.42Å; C18-L21 PolarHBondContact O-N 3.06Å; L21-A24 PolarHBondContact O-N 3.16Å; L21-G25 PolarHBondContact O-N 3.3Å; L21-Y49 HydrophobicContact CB-CE2 4.23Å; L21-L52 HydrophobicContact CD2-CB 4.33Å; L21-A56 HydrophobicContact CD2-CB 4.2Å; L21-L57 HydrophobicContact CD1-CD1 3.76Å; L21-L57 HydrophobicContact CD1-CD2 3.62Å; L21-L57 HydrophobicContact CD1-CG 3.6Å |
| 22 | L | 95.4 | Very high | 93.4 | Very high | 83 Ų | 83 | 54.5 Ų | 54.5 | 44% | 0.435 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.2 | -47 | 174.8 | -178.9 | 61.9 | 0 | 0 | 0 | 111.4 | C18 A19 A24 G25 C26 Y49 | C18-L22 WeakPolarHBondContact O-CB 3.48Å; C18-L22 PolarHBondContact O-N 3.49Å; A19-L22 PolarHBondContact O-N 2.99Å; L22-A24 VanDerWaalsContact C-N 3.33Å; L22-A24 PolarHBondContact O-N 3.31Å; L22-G25 PolarHBondContact O-N 3.01Å; L22-C26 WeakPolarHBondContact O-CB 3.39Å; L22-C26 PolarHBondContact O-N 3.39Å; L22-C26 PolarHBondContact O-SG 2.98Å; L22-Y49 HydrophobicContact CB-CD2 4.19Å; L22-Y49 HydrophobicContact CB-CE2 3.95Å; L22-Y49 HydrophobicContact CD1-CD1 4.37Å; L22-Y49 HydrophobicContact CD1-CD2 4.07Å; L22-Y49 HydrophobicContact CD1-CE2 4.24Å; L22-Y49 HydrophobicContact CD1-CG 4.12Å |
| 23 | A | 97 | Very high | 93.9 | Very high | 61 Ų | 61 | 53.3 Ų | 53.3 | 50% | 0.504 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A19 A20 C26 A27 | A19-A23 WeakPolarHBondContact O-CB 3.39Å; A19-A23 PolarHBondContact O-N 3.28Å; A20-A23 PolarHBondContact O-N 3.04Å; A23-C26 PolarHBondContact O-N 3.04Å; A23-A27 WeakPolarHBondContact O-CB 3.47Å; A23-A27 PolarHBondContact O-N 3.37Å |
| 24 | A | 97.2 | Very high | 94.2 | Very high | 41 Ų | 41 | 61.9 Ų | 61.9 | 34% | 0.339 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A20 L21 L22 C26 A27 L28 L52 | A20-A24 WeakPolarHBondContact O-CB 3.46Å; A20-A24 PolarHBondContact O-N 3.47Å; L21-A24 PolarHBondContact O-N 3.16Å; L22-A24 VanDerWaalsContact C-N 3.33Å; L22-A24 PolarHBondContact O-N 3.31Å; A24-C26 PolarHBondContact O-N 3.43Å; A24-A27 PolarHBondContact O-N 3.34Å; A24-L28 WeakPolarHBondContact O-CB 3.46Å; A24-L28 VanDerWaalsContact O-CG 3.29Å; A24-L28 WeakPolarHBondContact O-CG 3.34Å; A24-L28 PolarHBondContact O-N 3.44Å; A24-L52 HydrophobicContact CB-CD1 3.91Å |
| 25 | G | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L21 L22 L28 G29 C48 | L21-G25 PolarHBondContact O-N 3.3Å; L22-G25 PolarHBondContact O-N 3.01Å; G25-L28 PolarHBondContact O-N 3.48Å; G25-G29 PolarHBondContact O-N 3.35Å; G25-C48 WeakPolarHBondContact O-CB 3.5Å |
| 26 | C | 96.4 | Very high | 94.4 | Very high | 40 Ų | 40 | 65.9 Ų | 65.9 | 27% | 0.27 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.8 | -47.7 | 173.8 | -70.1 | 0 | 0 | 0 | 0 | 112.3 | L22 A23 A24 L28 G29 L30 I45 | L22-C26 WeakPolarHBondContact O-CB 3.39Å; L22-C26 PolarHBondContact O-N 3.39Å; L22-C26 PolarHBondContact O-SG 2.98Å; A23-C26 PolarHBondContact O-N 3.04Å; A24-C26 PolarHBondContact O-N 3.43Å; C26-L28 PolarHBondContact O-N 2.7Å; C26-G29 PolarHBondContact O-N 2.89Å; C26-L30 VanDerWaalsContact O-CB 3.25Å; C26-L30 WeakPolarHBondContact O-CB 3.32Å; C26-L30 WeakPolarHBondContact O-CG 3.49Å; C26-L30 PolarHBondContact O-N 2.92Å; C26-I45 HydrophobicContact CB-CG2 4.37Å |
| 27 | A | 96.9 | Very high | 94.5 | Very high | 61 Ų | 61 | 61.9 Ų | 61.9 | 50% | 0.504 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A23 A24 R31 | A23-A27 WeakPolarHBondContact O-CB 3.47Å; A23-A27 PolarHBondContact O-N 3.37Å; A24-A27 PolarHBondContact O-N 3.34Å; A27-R31 VanDerWaalsContact O-CB 3.28Å; A27-R31 WeakPolarHBondContact O-CB 3.47Å; A27-R31 PolarHBondContact O-N 2.84Å |
| 28 | L | 96.7 | Very high | 94.5 | Very high | 76 Ų | 76 | 66.5 Ų | 66.5 | 40% | 0.398 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.8 | -50.4 | 176.9 | -71.9 | 171.9 | 0 | 0 | 0 | 111.5 | A24 G25 C26 L30 R31 L32 C48 L52 | A24-L28 WeakPolarHBondContact O-CB 3.46Å; A24-L28 VanDerWaalsContact O-CG 3.29Å; A24-L28 WeakPolarHBondContact O-CG 3.34Å; A24-L28 PolarHBondContact O-N 3.44Å; G25-L28 PolarHBondContact O-N 3.48Å; C26-L28 PolarHBondContact O-N 2.7Å; L28-L30 PolarHBondContact O-N 3.09Å; L28-R31 WeakPolarHBondContact O-CB 3.37Å; L28-R31 PolarHBondContact O-N 3.1Å; L28-R31 VanDerWaalsContact O-N 3.13Å; L28-L32 WeakPolarHBondContact O-CB 3.41Å; L28-L32 WeakPolarHBondContact O-CG 3.22Å; L28-L32 PolarHBondContact O-N 3.46Å; L28-C48 HydrophobicContact CB-CB 4.03Å; L28-L52 HydrophobicContact CD1-CD1 4.41Å |
| 29 | G | 95.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G25 C26 R31 L32 G33 | G25-G29 PolarHBondContact O-N 3.35Å; C26-G29 PolarHBondContact O-N 2.89Å; G29-R31 PolarHBondContact O-N 3.25Å; G29-L32 PolarHBondContact O-N 2.94Å; G29-G33 WeakPolarHBondContact O-CA 3.31Å; G29-G33 PolarHBondContact O-N 3.23Å |
| 30 | L | 95.2 | Very high | 94.5 | Very high | 74 Ų | 74 | 66.2 Ų | 66.2 | 39% | 0.387 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 174.5 | -73.7 | 171.8 | 0 | 0 | 0 | 112.3 | C26 L28 R34 I45 | C26-L30 VanDerWaalsContact O-CB 3.25Å; C26-L30 WeakPolarHBondContact O-CB 3.32Å; C26-L30 WeakPolarHBondContact O-CG 3.49Å; C26-L30 PolarHBondContact O-N 2.92Å; L28-L30 PolarHBondContact O-N 3.09Å; L30-R34 WeakPolarHBondContact O-CG 3.38Å; L30-R34 PolarHBondContact O-N 3.44Å; L30-I45 HydrophobicContact CD2-CD1 3.82Å; L30-I45 HydrophobicContact CG-CD1 3.94Å; L30-I45 HydrophobicContact CG-CG1 4.26Å |
| 31 | R | 96.3 | Very high | 94.5 | Very high | 189 Ų | 189 | 68.4 Ų | 68.4 | 71% | 0.713 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -67.7 | -44.7 | 177.7 | -177.6 | -179.1 | 177.9 | -176.6 | 0 | 111.7 | A27 L28 G29 R34 | A27-R31 VanDerWaalsContact O-CB 3.28Å; A27-R31 WeakPolarHBondContact O-CB 3.47Å; A27-R31 PolarHBondContact O-N 2.84Å; L28-R31 WeakPolarHBondContact O-CB 3.37Å; L28-R31 PolarHBondContact O-N 3.1Å; L28-R31 VanDerWaalsContact O-N 3.13Å; G29-R31 PolarHBondContact O-N 3.25Å; R31-R34 VanDerWaalsContact O-CG 3.31Å; R31-R34 WeakPolarHBondContact O-CG 3.45Å |
| 32 | L | 95.1 | Very high | 94.4 | Very high | 67 Ų | 67 | 69.3 Ų | 69.3 | 35% | 0.351 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -71.5 | -33.1 | 179.5 | -68 | 175.2 | 0 | 0 | 0 | 112 | L28 G29 R34 L44 I117 V121 | L28-L32 WeakPolarHBondContact O-CB 3.41Å; L28-L32 WeakPolarHBondContact O-CG 3.22Å; L28-L32 PolarHBondContact O-N 3.46Å; G29-L32 PolarHBondContact O-N 2.94Å; L32-R34 VanDerWaalsContact C-N 3.25Å; L32-R34 PolarHBondContact O-N 2.78Å; L32-L44 HydrophobicContact CB-CD1 4.4Å; L32-I117 HydrophobicContact CD1-CG2 3.72Å; L32-V121 HydrophobicContact CB-CG2 4.03Å |
| 33 | G | 92.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 7.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | G29 G35 R36 R41 L44 | G29-G33 WeakPolarHBondContact O-CA 3.31Å; G29-G33 PolarHBondContact O-N 3.23Å; G33-G35 PolarHBondContact O-N 3.41Å; G33-G35 VanDerWaalsContact O-N 3.16Å; G33-R36 WeakPolarHBondContact O-CB 3.28Å; G33-R36 PolarHBondContact O-N 2.88Å; G33-R41 VanDerWaalsContact O-CG 3.29Å; G33-R41 WeakPolarHBondContact O-CG 3.42Å; G33-L44 VanDerWaalsContact CA-CD1 3.49Å |
| 34 | R | 92 | Very high | 94.5 | Very high | 203 Ų | 203 | 62.6 Ų | 62.6 | 77% | 0.766 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 121.1 | 176.7 | -71 | 179.8 | 83.9 | 165.3 | 4.4 | 109.8 | L30 R31 L32 | L30-R34 WeakPolarHBondContact O-CG 3.38Å; L30-R34 PolarHBondContact O-N 3.44Å; R31-R34 VanDerWaalsContact O-CG 3.31Å; R31-R34 WeakPolarHBondContact O-CG 3.45Å; L32-R34 VanDerWaalsContact C-N 3.25Å; L32-R34 PolarHBondContact O-N 2.78Å |
| 35 | G | 87.9 | Confident | 94.5 | Very high | 77 Ų | 77 | 62.7 Ų | 62.7 | 79% | 0.794 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 6.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G33 | G33-G35 PolarHBondContact O-N 3.41Å; G33-G35 VanDerWaalsContact O-N 3.16Å |
| 36 | R | 92.4 | Very high | 94.6 | Very high | 89 Ų | 89 | 63.8 Ų | 63.8 | 34% | 0.336 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -94.6 | 161.6 | 172.3 | -57.7 | -63.3 | 127.9 | -165.1 | -1.5 | 111.8 | G33 D40 R41 E123 | G33-R36 WeakPolarHBondContact O-CB 3.28Å; G33-R36 PolarHBondContact O-N 2.88Å; R36-D40 HydrophobicContact CB-CB 4.04Å; R36-R41 HydrophobicContact CB-CG 4.18Å; R36-R41 WeakPolarHBondContact O-CD 3.45Å; R36-E123 WeakPolarHBondContact CD-OE1 3.45Å; R36-E123 IonicContact CZ-OE1 3.71Å; R36-E123 IonicContact NE-OE1 2.72Å; R36-E123 IonicContact NH1-OE1 3.43Å; R36-E123 PolarHBondContact NH1-OE1 2.88Å |
| 37 | G | 92.1 | Very high | 94.7 | Very high | 43 Ų | 43 | 61.9 Ų | 61.9 | 44% | 0.443 | 34% | 0.343 | S | S | . | . | trans | -64.1 | 161.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | A39 D40 R41 | G37-A39 VanDerWaalsContact C-N 3.3Å; G37-A39 PolarHBondContact O-N 2.92Å; G37-D40 PolarHBondContact O-N 2.97Å; G37-R41 WeakPolarHBondContact O-CG 3.48Å; G37-R41 PolarHBondContact O-N 3.37Å | ||
| 38 | V | 92.6 | Very high | 94.7 | Very high | 129 Ų | 129 | 59.3 Ų | 59.3 | 78% | 0.782 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -57.6 | -42 | -176.8 | 178.8 | 0 | 0 | 0 | 0 | 112 | R41 G42 | V38-R41 PolarHBondContact O-N 3.34Å; V38-G42 PolarHBondContact O-N 3.49Å |
| 39 | A | 92.3 | Very high | 94.8 | Very high | 58 Ų | 58 | 57 Ų | 57 | 48% | 0.479 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G37 R41 G42 A43 | G37-A39 VanDerWaalsContact C-N 3.3Å; G37-A39 PolarHBondContact O-N 2.92Å; A39-R41 VanDerWaalsContact C-N 3.33Å; A39-R41 PolarHBondContact O-N 3.05Å; A39-G42 PolarHBondContact O-N 3.2Å; A39-A43 PolarHBondContact O-N 2.83Å |
| 40 | D | 93.9 | Very high | 94.9 | Very high | 23 Ų | 23 | 57 Ų | 57 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69 | -32.6 | 179.3 | -61.7 | -31.1 | 0 | 0 | 0 | 112 | R36 G37 A43 L44 I120 R127 | R36-D40 HydrophobicContact CB-CB 4.04Å; G37-D40 PolarHBondContact O-N 2.97Å; D40-A43 PolarHBondContact O-N 3.42Å; D40-L44 WeakPolarHBondContact O-CB 3.4Å; D40-L44 WeakPolarHBondContact O-CG 3.2Å; D40-L44 PolarHBondContact O-N 2.98Å; D40-I120 HydrophobicContact CB-CG2 4.05Å; D40-R127 IonicContact OD1-CZ 3.73Å; D40-R127 IonicContact OD1-NH1 2.73Å; D40-R127 PolarHBondContact OD1-NH1 3.08Å; D40-R127 IonicContact OD1-NH2 3.83Å |
| 41 | R | 94.3 | Very high | 95 | Very high | 103 Ų | 103 | 53.8 Ų | 53.8 | 39% | 0.389 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 172.3 | -71.5 | 176.9 | 67.3 | -173.6 | -0.5 | 111.5 | G33 R36 G37 V38 A39 L44 I45 | G33-R41 VanDerWaalsContact O-CG 3.29Å; G33-R41 WeakPolarHBondContact O-CG 3.42Å; R36-R41 HydrophobicContact CB-CG 4.18Å; R36-R41 WeakPolarHBondContact O-CD 3.45Å; G37-R41 WeakPolarHBondContact O-CG 3.48Å; G37-R41 PolarHBondContact O-N 3.37Å; V38-R41 PolarHBondContact O-N 3.34Å; A39-R41 VanDerWaalsContact C-N 3.33Å; A39-R41 PolarHBondContact O-N 3.05Å; R41-L44 PolarHBondContact O-N 2.98Å; R41-I45 VanDerWaalsContact O-CG1 3.31Å; R41-I45 WeakPolarHBondContact O-CG1 3.49Å; R41-I45 PolarHBondContact O-N 3.26Å |
| 42 | G | 95.5 | Very high | 95 | Very high | 39 Ų | 39 | 46.9 Ų | 46.9 | 40% | 0.402 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V38 A39 L44 I45 W46 | V38-G42 PolarHBondContact O-N 3.49Å; A39-G42 PolarHBondContact O-N 3.2Å; G42-L44 PolarHBondContact O-N 3.28Å; G42-I45 PolarHBondContact O-N 3.38Å; G42-W46 PolarHBondContact O-N 2.99Å; G42-W46 VanDerWaalsContact O-N 3.08Å |
| 43 | A | 96.5 | Very high | 95.1 | Very high | 3 Ų | 3 | 44 Ų | 44 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A39 D40 I45 W46 L47 I120 L183 | A39-A43 PolarHBondContact O-N 2.83Å; D40-A43 PolarHBondContact O-N 3.42Å; A43-I45 VanDerWaalsContact C-N 3.34Å; A43-I45 PolarHBondContact O-N 3.38Å; A43-W46 PolarHBondContact O-N 3.35Å; A43-L47 WeakPolarHBondContact O-CB 3.24Å; A43-L47 WeakPolarHBondContact O-CG 3.44Å; A43-L47 PolarHBondContact O-N 3.09Å; A43-I120 HydrophobicContact CB-CD1 4.33Å; A43-L183 HydrophobicContact CB-CD2 3.77Å |
| 44 | L | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.2 | -36 | 177.8 | -74.6 | 169.2 | 0 | 0 | 0 | 113.1 | L32 G33 D40 R41 G42 C48 I117 I120 V121 | L32-L44 HydrophobicContact CB-CD1 4.4Å; G33-L44 VanDerWaalsContact CA-CD1 3.49Å; D40-L44 WeakPolarHBondContact O-CB 3.4Å; D40-L44 WeakPolarHBondContact O-CG 3.2Å; D40-L44 PolarHBondContact O-N 2.98Å; R41-L44 PolarHBondContact O-N 2.98Å; G42-L44 PolarHBondContact O-N 3.28Å; L44-C48 VanDerWaalsContact O-CB 3.31Å; L44-C48 WeakPolarHBondContact O-CB 3.35Å; L44-C48 PolarHBondContact O-N 3.48Å; L44-C48 PolarHBondContact O-SG 2.91Å; L44-I117 HydrophobicContact CD2-CB 4.28Å; L44-I117 HydrophobicContact CD2-CG1 4.26Å; L44-I117 HydrophobicContact CD2-CG2 3.96Å; L44-I120 HydrophobicContact CD1-CG2 3.93Å; L44-I120 HydrophobicContact CD2-CB 4.09Å; L44-I120 HydrophobicContact CD2-CD1 4.34Å; L44-I120 HydrophobicContact CD2-CG2 3.97Å; L44-I120 HydrophobicContact CG-CG2 3.88Å; L44-V121 HydrophobicContact CD1-CG2 4.35Å; L44-V121 HydrophobicContact CD2-CG2 4.09Å |
| 45 | I | 97.5 | Very high | 95.6 | Very high | 43 Ų | 43 | 38.6 Ų | 38.6 | 22% | 0.221 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.6 | -48.8 | 174.1 | -71.1 | 164.4 | 0 | 0 | 0 | 110.4 | C26 L30 R41 G42 A43 Y49 | C26-I45 HydrophobicContact CB-CG2 4.37Å; L30-I45 HydrophobicContact CD2-CD1 3.82Å; L30-I45 HydrophobicContact CG-CD1 3.94Å; L30-I45 HydrophobicContact CG-CG1 4.26Å; R41-I45 VanDerWaalsContact O-CG1 3.31Å; R41-I45 WeakPolarHBondContact O-CG1 3.49Å; R41-I45 PolarHBondContact O-N 3.26Å; G42-I45 PolarHBondContact O-N 3.38Å; A43-I45 VanDerWaalsContact C-N 3.34Å; A43-I45 PolarHBondContact O-N 3.38Å; I45-Y49 PolarHBondContact O-N 3.32Å; I45-Y49 VanDerWaalsContact O-N 3.14Å |
| 46 | W | 97.6 | Very high | 96 | Very high | 23 Ų | 23 | 36.7 Ų | 36.7 | 9% | 0.087 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58 | -55.3 | 176.2 | 173 | -105.1 | 0 | 0 | 0 | 111 | G42 A43 C48 Y49 D50 V175 W176 I179 | G42-W46 PolarHBondContact O-N 2.99Å; G42-W46 VanDerWaalsContact O-N 3.08Å; A43-W46 PolarHBondContact O-N 3.35Å; W46-C48 VanDerWaalsContact C-N 3.29Å; W46-C48 PolarHBondContact O-N 2.87Å; W46-Y49 HydrophobicContact CE3-CD1 4.31Å; W46-Y49 HydrophobicContact CZ3-CD1 4.1Å; W46-Y49 HydrophobicContact CZ3-CE1 4.38Å; W46-Y49 CarbonylContact O-C 3.56Å; W46-Y49 WeakPolarHBondContact O-CA 3.14Å; W46-Y49 WeakPolarHBondContact O-CB 3.03Å; W46-Y49 PolarHBondContact O-N 3.46Å; W46-D50 VanDerWaalsContact O-CB 3.27Å; W46-D50 WeakPolarHBondContact O-CB 3.44Å; W46-D50 PolarHBondContact O-N 3.23Å; W46-V175 HydrophobicContact CH2-CG1 3.84Å; W46-V175 HydrophobicContact CZ3-CG1 3.56Å; W46-W176 AromaticContact CH2-CD2 3.79Å; W46-W176 HydrophobicContact CH2-CD2 3.79Å; W46-W176 AromaticContact CH2-CE3 3.77Å; W46-W176 HydrophobicContact CH2-CE3 3.77Å; W46-W176 HydrophobicContact CH2-CG 4.31Å; W46-W176 HydrophobicContact CH2-CH2 4.45Å; W46-W176 HydrophobicContact CH2-CZ2 4.42Å; W46-W176 HydrophobicContact CH2-CZ3 4.12Å; W46-W176 HydrophobicContact CZ3-CE3 4.42Å; W46-W176 HydrophobicContact CZ3-CZ3 4.37Å; W46-I179 HydrophobicContact CB-CG2 4.06Å; W46-I179 HydrophobicContact CD2-CB 3.94Å; W46-I179 HydrophobicContact CD2-CG1 4.3Å; W46-I179 HydrophobicContact CD2-CG2 3.38Å; W46-I179 HydrophobicContact CE3-CB 4.15Å; W46-I179 HydrophobicContact CE3-CG1 4Å; W46-I179 HydrophobicContact CE3-CG2 3.94Å; W46-I179 HydrophobicContact CG-CB 4.46Å; W46-I179 HydrophobicContact CG-CG2 3.41Å; W46-I179 VanDerWaalsContact CG-CG2 3.41Å; W46-I179 HydrophobicContact CH2-CB 4.37Å; W46-I179 HydrophobicContact CH2-CG1 4.46Å; W46-I179 HydrophobicContact CZ2-CB 4.17Å; W46-I179 HydrophobicContact CZ2-CG2 4.37Å; W46-I179 HydrophobicContact CZ3-CB 4.36Å; W46-I179 HydrophobicContact CZ3-CG1 4.09Å |
| 47 | L | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.6 | -34.4 | -175 | -66.2 | 167.7 | 0 | 0 | 0 | 113.2 | A43 A51 A113 L116 I117 I120 L134 | A43-L47 WeakPolarHBondContact O-CB 3.24Å; A43-L47 WeakPolarHBondContact O-CG 3.44Å; A43-L47 PolarHBondContact O-N 3.09Å; L47-A51 WeakPolarHBondContact O-CB 3.31Å; L47-A51 PolarHBondContact O-N 3.34Å; L47-A113 HydrophobicContact CD2-CB 4.48Å; L47-L116 HydrophobicContact CD1-CB 4.34Å; L47-L116 HydrophobicContact CD1-CD2 3.64Å; L47-L116 HydrophobicContact CD1-CG 3.63Å; L47-L116 HydrophobicContact CD2-CD2 3.69Å; L47-L116 HydrophobicContact CD2-CG 4.42Å; L47-L116 HydrophobicContact CG-CD2 4.31Å; L47-I117 HydrophobicContact CB-CD1 3.93Å; L47-I117 HydrophobicContact CB-CG1 3.57Å; L47-I117 HydrophobicContact CD1-CG1 4.24Å; L47-I120 HydrophobicContact CD1-CD1 3.54Å; L47-L134 HydrophobicContact CD2-CD2 3.46Å; L47-L134 VanDerWaalsContact CD2-CD2 3.46Å |
| 48 | C | 98 | Very high | 96.3 | Very high | 7 Ų | 7 | 31.5 Ų | 31.5 | 5% | 0.047 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.1 | -38.6 | 173.9 | -75.1 | 0 | 0 | 0 | 0 | 111.9 | G25 L28 L44 W46 L52 | G25-C48 WeakPolarHBondContact O-CB 3.5Å; L28-C48 HydrophobicContact CB-CB 4.03Å; L44-C48 VanDerWaalsContact O-CB 3.31Å; L44-C48 WeakPolarHBondContact O-CB 3.35Å; L44-C48 PolarHBondContact O-N 3.48Å; L44-C48 PolarHBondContact O-SG 2.91Å; W46-C48 VanDerWaalsContact C-N 3.29Å; W46-C48 PolarHBondContact O-N 2.87Å; C48-L52 WeakPolarHBondContact O-CD1 3.22Å; C48-L52 VanDerWaalsContact O-CG 3.23Å; C48-L52 WeakPolarHBondContact O-CG 3.45Å; C48-L52 PolarHBondContact O-N 3.22Å |
| 49 | Y | 97.7 | Very high | 96.5 | Very high | 26 Ų | 26 | 26.2 Ų | 26.2 | 10% | 0.102 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.2 | -44.7 | 175 | 174.1 | -115 | 0 | 0 | 0 | 111.5 | L21 L22 I45 W46 L52 V53 W176 | L21-Y49 HydrophobicContact CB-CE2 4.23Å; L22-Y49 HydrophobicContact CB-CD2 4.19Å; L22-Y49 HydrophobicContact CB-CE2 3.95Å; L22-Y49 HydrophobicContact CD1-CD1 4.37Å; L22-Y49 HydrophobicContact CD1-CD2 4.07Å; L22-Y49 HydrophobicContact CD1-CE2 4.24Å; L22-Y49 HydrophobicContact CD1-CG 4.12Å; I45-Y49 PolarHBondContact O-N 3.32Å; I45-Y49 VanDerWaalsContact O-N 3.14Å; W46-Y49 HydrophobicContact CE3-CD1 4.31Å; W46-Y49 HydrophobicContact CZ3-CD1 4.1Å; W46-Y49 HydrophobicContact CZ3-CE1 4.38Å; W46-Y49 CarbonylContact O-C 3.56Å; W46-Y49 WeakPolarHBondContact O-CA 3.14Å; W46-Y49 WeakPolarHBondContact O-CB 3.03Å; W46-Y49 PolarHBondContact O-N 3.46Å; Y49-L52 CarbonylContact O-C 3.59Å; Y49-L52 WeakPolarHBondContact O-CA 3.33Å; Y49-L52 WeakPolarHBondContact O-CB 3.42Å; Y49-L52 PolarHBondContact O-N 3.24Å; Y49-L52 VanDerWaalsContact O-N 3.08Å; Y49-V53 HydrophobicContact CD1-CG2 4.44Å; Y49-V53 HydrophobicContact CD2-CG2 4.22Å; Y49-V53 HydrophobicContact CE1-CG2 4.01Å; Y49-V53 HydrophobicContact CE2-CG2 3.75Å; Y49-V53 WeakPolarHBondContact O-CG2 3.39Å; Y49-V53 PolarHBondContact O-N 2.99Å; Y49-W176 AromaticContact CE1-CH2 3.53Å; Y49-W176 HydrophobicContact CE1-CH2 3.53Å; Y49-W176 AromaticContact CE1-CZ2 4Å; Y49-W176 HydrophobicContact CE1-CZ2 4Å; Y49-W176 HydrophobicContact CE1-CZ3 4.38Å |
| 50 | D | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55 | -53.7 | 176.4 | -179.9 | 72.2 | 0 | 0 | 0 | 112.1 | W46 L52 V53 H54 A113 | W46-D50 VanDerWaalsContact O-CB 3.27Å; W46-D50 WeakPolarHBondContact O-CB 3.44Å; W46-D50 PolarHBondContact O-N 3.23Å; D50-L52 PolarHBondContact O-N 3.29Å; D50-V53 PolarHBondContact O-N 3.27Å; D50-H54 PolarHBondContact O-CD2 2.65Å; D50-H54 PolarHBondContact O-N 3.45Å; D50-H54 IonicContact OD1-CD2 3.5Å; D50-H54 IonicContact OD1-NE2 3.38Å; D50-H54 PolarHBondContact OD1-NE2 3.31Å; D50-H54 IonicContact OD2-CD2 2.9Å; D50-H54 PolarHBondContact OD2-CD2 3.37Å; D50-H54 IonicContact OD2-NE2 3.78Å; D50-H54 PolarHBondContact OD2-NE2 2.96Å; D50-A113 WeakPolarHBondContact OD2-CB 3.19Å |
| 51 | A | 97.7 | Very high | 96.8 | Very high | 7 Ų | 7 | 24.3 Ų | 24.3 | 6% | 0.058 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.8 | -36.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L47 F55 A113 L114 | L47-A51 WeakPolarHBondContact O-CB 3.31Å; L47-A51 PolarHBondContact O-N 3.34Å; A51-F55 HydrophobicContact CB-CD2 4.49Å; A51-F55 WeakPolarHBondContact O-CD2 3.4Å; A51-F55 PolarHBondContact O-N 3.06Å; A51-A113 HydrophobicContact CB-CB 4.13Å; A51-L114 HydrophobicContact CB-CD2 4.02Å; A51-L114 HydrophobicContact CB-CG 4.43Å |
| 52 | L | 97.4 | Very high | 96.9 | Very high | 45 Ų | 45 | 20.1 Ų | 20.1 | 24% | 0.236 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.6 | -39.1 | 175.4 | -75.5 | 171.3 | 0 | 0 | 0 | 111.9 | L21 A24 L28 C48 Y49 D50 A56 | L21-L52 HydrophobicContact CD2-CB 4.33Å; A24-L52 HydrophobicContact CB-CD1 3.91Å; L28-L52 HydrophobicContact CD1-CD1 4.41Å; C48-L52 WeakPolarHBondContact O-CD1 3.22Å; C48-L52 VanDerWaalsContact O-CG 3.23Å; C48-L52 WeakPolarHBondContact O-CG 3.45Å; C48-L52 PolarHBondContact O-N 3.22Å; Y49-L52 CarbonylContact O-C 3.59Å; Y49-L52 WeakPolarHBondContact O-CA 3.33Å; Y49-L52 WeakPolarHBondContact O-CB 3.42Å; Y49-L52 PolarHBondContact O-N 3.24Å; Y49-L52 VanDerWaalsContact O-N 3.08Å; D50-L52 PolarHBondContact O-N 3.29Å; L52-A56 WeakPolarHBondContact O-CA 3.2Å; L52-A56 WeakPolarHBondContact O-CB 3.42Å; L52-A56 PolarHBondContact O-N 3.09Å |
| 53 | V | 96.6 | Very high | 96.9 | Very high | 7 Ų | 7 | 25.5 Ų | 25.5 | 4% | 0.042 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64 | -51.5 | 176.5 | 170.1 | 0 | 0 | 0 | 0 | 110.2 | Y49 D50 F55 L57 E58 W176 | Y49-V53 HydrophobicContact CD1-CG2 4.44Å; Y49-V53 HydrophobicContact CD2-CG2 4.22Å; Y49-V53 HydrophobicContact CE1-CG2 4.01Å; Y49-V53 HydrophobicContact CE2-CG2 3.75Å; Y49-V53 WeakPolarHBondContact O-CG2 3.39Å; Y49-V53 PolarHBondContact O-N 2.99Å; D50-V53 PolarHBondContact O-N 3.27Å; V53-F55 PolarHBondContact O-N 2.73Å; V53-L57 HydrophobicContact CG1-CD1 4.36Å; V53-L57 HydrophobicContact CG2-CD1 4.36Å; V53-L57 WeakPolarHBondContact O-CA 3.34Å; V53-L57 WeakPolarHBondContact O-CB 3.39Å; V53-L57 PolarHBondContact O-N 3.37Å; V53-E58 HydrophobicContact CG1-CG 4.26Å; V53-E58 PolarHBondContact O-N 3.31Å; V53-W176 HydrophobicContact CG1-CZ2 4.23Å; V53-W176 HydrophobicContact CG2-CZ2 4.23Å |
| 54 | H | 97.1 | Very high | 96.9 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.019 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -55.6 | -48.4 | 178.2 | -71.2 | -47.6 | 0 | 0 | 0 | 112 | D50 E58 G59 | D50-H54 PolarHBondContact O-CD2 2.65Å; D50-H54 PolarHBondContact O-N 3.45Å; D50-H54 IonicContact OD1-CD2 3.5Å; D50-H54 IonicContact OD1-NE2 3.38Å; D50-H54 PolarHBondContact OD1-NE2 3.31Å; D50-H54 IonicContact OD2-CD2 2.9Å; D50-H54 PolarHBondContact OD2-CD2 3.37Å; D50-H54 IonicContact OD2-NE2 3.78Å; D50-H54 PolarHBondContact OD2-NE2 2.96Å; H54-E58 IonicContact CE1-OE1 3.59Å; H54-E58 IonicContact CE1-OE2 2.72Å; H54-E58 IonicContact CG-OE2 3.97Å; H54-E58 IonicContact ND1-OE1 3.2Å; H54-E58 IonicContact ND1-OE2 3.83Å; H54-E58 PolarHBondContact ND1-OE2 3.34Å; H54-G59 PolarHBondContact O-N 2.92Å |
| 55 | F | 97.3 | Very high | 96.7 | Very high | 84 Ų | 84 | 27.1 Ų | 27.1 | 37% | 0.368 | 14% | 0.14 | S | C | . | . | I | π-helix | trans | -85.9 | -31.5 | -175 | -65.4 | -56.7 | 0 | 0 | 0 | 115 | A51 V53 P60 V106 G110 L114 | A51-F55 HydrophobicContact CB-CD2 4.49Å; A51-F55 WeakPolarHBondContact O-CD2 3.4Å; A51-F55 PolarHBondContact O-N 3.06Å; V53-F55 PolarHBondContact O-N 2.73Å; F55-P60 WeakPolarHBondContact O-CD 3.37Å; F55-V106 HydrophobicContact CD1-CG1 4.41Å; F55-V106 WeakPolarHBondContact CE1-O 3.31Å; F55-G110 WeakPolarHBondContact CE2-O 3.15Å; F55-L114 HydrophobicContact CE2-CD1 3.6Å; F55-L114 HydrophobicContact CE2-CG 4.01Å; F55-L114 HydrophobicContact CZ-CD1 4.1Å |
| 56 | A | 96.3 | Very high | 96.6 | Very high | 38 Ų | 38 | 29.9 Ų | 29.9 | 31% | 0.314 | 16% | 0.155 | S | C | . | . | I | π-helix | trans | -99.8 | -20.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114 | L21 L52 P60 | L21-A56 HydrophobicContact CD2-CB 4.2Å; L52-A56 WeakPolarHBondContact O-CA 3.2Å; L52-A56 WeakPolarHBondContact O-CB 3.42Å; L52-A56 PolarHBondContact O-N 3.09Å; A56-P60 WeakPolarHBondContact O-CG 3.33Å |
| 57 | L | 95.2 | Very high | 96.3 | Very high | 10 Ų | 10 | 33.8 Ų | 33.8 | 5% | 0.052 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -111.5 | -57.8 | 177.8 | -58.1 | -174.9 | 0 | 0 | 0 | 111.6 | L17 L21 V53 P60 F61 I77 L80 W81 | L17-L57 HydrophobicContact CD2-CD2 3.82Å; L17-L57 HydrophobicContact CG-CD2 4.31Å; L21-L57 HydrophobicContact CD1-CD1 3.76Å; L21-L57 HydrophobicContact CD1-CD2 3.62Å; L21-L57 HydrophobicContact CD1-CG 3.6Å; V53-L57 HydrophobicContact CG1-CD1 4.36Å; V53-L57 HydrophobicContact CG2-CD1 4.36Å; V53-L57 WeakPolarHBondContact O-CA 3.34Å; V53-L57 WeakPolarHBondContact O-CB 3.39Å; V53-L57 PolarHBondContact O-N 3.37Å; L57-P60 WeakPolarHBondContact O-CD 3.48Å; L57-F61 PolarHBondContact O-N 3.36Å; L57-F61 VanDerWaalsContact O-N 3.11Å; L57-I77 HydrophobicContact CD2-CD1 3.84Å; L57-L80 HydrophobicContact CD2-CD1 4.06Å; L57-W81 HydrophobicContact CB-CZ2 4Å; L57-W81 PolarHBondContact O-NE1 3.32Å; L57-W81 VanDerWaalsContact O-NE1 3.1Å |
| 58 | E | 96.3 | Very high | 95.9 | Very high | 12 Ų | 12 | 35.5 Ų | 35.5 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -72.9 | -40.3 | -174.3 | -61.9 | 179.9 | -164.7 | 0 | 0 | 111.9 | V53 H54 F61 V62 W81 E102 T105 V106 | V53-E58 HydrophobicContact CG1-CG 4.26Å; V53-E58 PolarHBondContact O-N 3.31Å; H54-E58 IonicContact CE1-OE1 3.59Å; H54-E58 IonicContact CE1-OE2 2.72Å; H54-E58 IonicContact CG-OE2 3.97Å; H54-E58 IonicContact ND1-OE1 3.2Å; H54-E58 IonicContact ND1-OE2 3.83Å; H54-E58 PolarHBondContact ND1-OE2 3.34Å; E58-F61 WeakPolarHBondContact O-CA 3.44Å; E58-F61 VanDerWaalsContact O-CB 3.28Å; E58-F61 WeakPolarHBondContact O-CB 3.01Å; E58-F61 PolarHBondContact O-N 2.71Å; E58-V62 WeakPolarHBondContact O-CG2 3.35Å; E58-V62 PolarHBondContact O-N 3Å; E58-W81 HydrophobicContact CG-CZ2 4.41Å; E58-E102 VanDerWaalsContact CB-OE2 3.23Å; E58-E102 WeakPolarHBondContact CB-OE2 3.34Å; E58-E102 WeakPolarHBondContact CG-OE2 3.18Å; E58-T105 PolarHBondContact OE2-OG1 3.34Å; E58-V106 HydrophobicContact CB-CG2 3.55Å |
| 59 | G | 96.3 | Very high | 95.4 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.6 | -51.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | H54 F61 V62 Y63 | H54-G59 PolarHBondContact O-N 2.92Å; G59-F61 VanDerWaalsContact C-N 3.34Å; G59-F61 PolarHBondContact O-N 2.83Å; G59-V62 PolarHBondContact O-N 3.39Å; G59-Y63 PolarHBondContact O-N 3.01Å |
| 60 | P | 96.3 | Very high | 95.2 | Very high | 39 Ų | 39 | 36.2 Ų | 36.2 | 25% | 0.253 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62 | -36.2 | 171.2 | -27.4 | 37 | 0 | 0 | 0 | 113.7 | F55 A56 L57 Y63 L64 I77 | F55-P60 WeakPolarHBondContact O-CD 3.37Å; A56-P60 WeakPolarHBondContact O-CG 3.33Å; L57-P60 WeakPolarHBondContact O-CD 3.48Å; P60-Y63 PolarHBondContact O-N 2.85Å; P60-L64 WeakPolarHBondContact O-CB 3Å; P60-L64 WeakPolarHBondContact O-CG 3.2Å; P60-L64 PolarHBondContact O-N 3.15Å; P60-I77 HydrophobicContact CB-CG2 3.87Å |
| 61 | F | 96.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.5 | -48.7 | 173.5 | 163.8 | -99.9 | 0 | 0 | 0 | 112 | L57 E58 G59 Y63 L64 S65 V70 W81 W91 I98 V99 E102 | L57-F61 PolarHBondContact O-N 3.36Å; L57-F61 VanDerWaalsContact O-N 3.11Å; E58-F61 WeakPolarHBondContact O-CA 3.44Å; E58-F61 VanDerWaalsContact O-CB 3.28Å; E58-F61 WeakPolarHBondContact O-CB 3.01Å; E58-F61 PolarHBondContact O-N 2.71Å; G59-F61 VanDerWaalsContact C-N 3.34Å; G59-F61 PolarHBondContact O-N 2.83Å; F61-Y63 VanDerWaalsContact C-N 3.33Å; F61-Y63 PolarHBondContact O-N 3.28Å; F61-L64 PolarHBondContact O-N 3.35Å; F61-S65 WeakPolarHBondContact CE2-OG 3.23Å; F61-S65 VanDerWaalsContact O-CB 3.29Å; F61-S65 WeakPolarHBondContact O-CB 3.49Å; F61-S65 PolarHBondContact O-N 3.07Å; F61-S65 PolarHBondContact O-OG 2.92Å; F61-V70 HydrophobicContact CD2-CG2 3.9Å; F61-V70 HydrophobicContact CE2-CG2 4.16Å; F61-W81 HydrophobicContact CB-CD2 4.28Å; F61-W81 HydrophobicContact CB-CG 4.45Å; F61-W81 HydrophobicContact CB-CZ2 3.92Å; F61-W81 HydrophobicContact CD2-CD2 4.14Å; F61-W81 HydrophobicContact CD2-CG 4.17Å; F61-W81 HydrophobicContact CG-CD2 4.46Å; F61-W81 HydrophobicContact CG-CZ2 4.43Å; F61-W91 HydrophobicContact CD1-CE3 4.24Å; F61-W91 HydrophobicContact CD1-CZ3 4.12Å; F61-W91 HydrophobicContact CD2-CE3 4.02Å; F61-W91 HydrophobicContact CE1-CE3 4.07Å; F61-W91 HydrophobicContact CE1-CZ3 4.14Å; F61-W91 HydrophobicContact CE2-CB 4.4Å; F61-W91 AromaticContact CE2-CE3 3.84Å; F61-W91 HydrophobicContact CE2-CE3 3.84Å; F61-W91 WeakPolarHBondContact CE2-O 3.4Å; F61-W91 HydrophobicContact CG-CE3 4.23Å; F61-W91 HydrophobicContact CG-CZ3 4.38Å; F61-W91 AromaticContact CZ-CE3 3.86Å; F61-W91 HydrophobicContact CZ-CE3 3.86Å; F61-W91 HydrophobicContact CZ-CZ3 4.39Å; F61-I98 HydrophobicContact CE1-CG2 3.94Å; F61-I98 HydrophobicContact CZ-CG2 3.83Å; F61-V99 HydrophobicContact CE1-CG2 4.33Å; F61-V99 HydrophobicContact CZ-CG2 4.24Å; F61-E102 HydrophobicContact CD1-CB 4.06Å; F61-E102 HydrophobicContact CD1-CG 3.94Å; F61-E102 HydrophobicContact CE1-CB 4.01Å; F61-E102 HydrophobicContact CE1-CG 3.71Å |
| 62 | V | 96.7 | Very high | 94.6 | Very high | 15 Ų | 15 | 43.5 Ų | 43.5 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.7 | -47.2 | 176.7 | 169.8 | 0 | 0 | 0 | 0 | 110.1 | E58 G59 L64 S65 L66 E102 I103 V106 | E58-V62 WeakPolarHBondContact O-CG2 3.35Å; E58-V62 PolarHBondContact O-N 3Å; G59-V62 PolarHBondContact O-N 3.39Å; V62-L64 PolarHBondContact O-N 3.43Å; V62-S65 PolarHBondContact O-N 3.48Å; V62-L66 HydrophobicContact CG1-CD1 3.7Å; V62-L66 HydrophobicContact CG1-CG 4.32Å; V62-L66 WeakPolarHBondContact O-CB 3.36Å; V62-L66 VanDerWaalsContact O-CG 3.26Å; V62-L66 WeakPolarHBondContact O-CG 3.23Å; V62-L66 PolarHBondContact O-N 3.45Å; V62-E102 HydrophobicContact CG2-CB 3.57Å; V62-I103 HydrophobicContact CG1-CD1 4.42Å; V62-I103 HydrophobicContact CG1-CG1 3.53Å; V62-I103 HydrophobicContact CG2-CG1 4.29Å; V62-V106 HydrophobicContact CG2-CG2 4.19Å |
| 63 | Y | 96.3 | Very high | 94.3 | Very high | 152 Ų | 152 | 42.4 Ų | 42.4 | 60% | 0.596 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -59 | -49.9 | 178 | 175.5 | -99.1 | 0 | 0 | 0 | 112.5 | G59 P60 F61 S65 L66 V67 | G59-Y63 PolarHBondContact O-N 3.01Å; P60-Y63 PolarHBondContact O-N 2.85Å; F61-Y63 VanDerWaalsContact C-N 3.33Å; F61-Y63 PolarHBondContact O-N 3.28Å; Y63-S65 VanDerWaalsContact C-N 3.29Å; Y63-S65 PolarHBondContact O-N 3.23Å; Y63-L66 PolarHBondContact O-N 3.22Å; Y63-V67 HydrophobicContact CD2-CG2 4.1Å; Y63-V67 HydrophobicContact CE1-CG2 4.42Å; Y63-V67 HydrophobicContact CE2-CG2 3.7Å; Y63-V67 WeakPolarHBondContact O-CG2 3.43Å; Y63-V67 PolarHBondContact O-N 3.34Å |
| 64 | L | 95.4 | Very high | 94 | Very high | 34 Ų | 34 | 49.3 Ų | 49.3 | 18% | 0.178 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63 | -37.1 | 180 | -67.6 | 175.5 | 0 | 0 | 0 | 111.9 | P60 F61 V62 G68 N69 V70 A78 | P60-L64 WeakPolarHBondContact O-CB 3Å; P60-L64 WeakPolarHBondContact O-CG 3.2Å; P60-L64 PolarHBondContact O-N 3.15Å; F61-L64 PolarHBondContact O-N 3.35Å; V62-L64 PolarHBondContact O-N 3.43Å; L64-G68 CarbonylContact O-C 3.33Å; L64-G68 PolarHBondContact O-N 3.32Å; L64-G68 VanDerWaalsContact O-N 3.12Å; L64-N69 PolarHBondContact O-N 3.21Å; L64-V70 HydrophobicContact CB-CG2 4.11Å; L64-A78 HydrophobicContact CD1-CB 4.23Å |
| 65 | S | 94.5 | Very high | 93.6 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.8 | -33.8 | 178.3 | -60.2 | 0 | 0 | 0 | 0 | 112.7 | F61 V62 Y63 G68 F94 | F61-S65 WeakPolarHBondContact CE2-OG 3.23Å; F61-S65 VanDerWaalsContact O-CB 3.29Å; F61-S65 WeakPolarHBondContact O-CB 3.49Å; F61-S65 PolarHBondContact O-N 3.07Å; F61-S65 PolarHBondContact O-OG 2.92Å; V62-S65 PolarHBondContact O-N 3.48Å; Y63-S65 VanDerWaalsContact C-N 3.29Å; Y63-S65 PolarHBondContact O-N 3.23Å; S65-G68 VanDerWaalsContact O-O 3.11Å; S65-F94 VanDerWaalsContact O-CD2 3.3Å; S65-F94 WeakPolarHBondContact O-CD2 3.39Å |
| 66 | L | 93.9 | Very high | 93.3 | Very high | 102 Ų | 102 | 51.7 Ų | 51.7 | 53% | 0.534 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -79.9 | -33.3 | 179.3 | -70.5 | 174.2 | 0 | 0 | 0 | 113.4 | V62 Y63 F94 V99 I103 | V62-L66 HydrophobicContact CG1-CD1 3.7Å; V62-L66 HydrophobicContact CG1-CG 4.32Å; V62-L66 WeakPolarHBondContact O-CB 3.36Å; V62-L66 VanDerWaalsContact O-CG 3.26Å; V62-L66 WeakPolarHBondContact O-CG 3.23Å; V62-L66 PolarHBondContact O-N 3.45Å; Y63-L66 PolarHBondContact O-N 3.22Å; L66-F94 HydrophobicContact CD2-CE2 4.27Å; L66-V99 HydrophobicContact CD2-CG1 4.14Å; L66-V99 HydrophobicContact CG-CG1 4.49Å; L66-I103 HydrophobicContact CD1-CD1 4.43Å |
| 67 | V | 92.3 | Very high | 93.1 | Very high | 104 Ų | 104 | 51.7 Ų | 51.7 | 63% | 0.63 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -85.4 | -22.7 | -179.2 | 177.1 | 0 | 0 | 0 | 0 | 111.9 | Y63 | Y63-V67 HydrophobicContact CD2-CG2 4.1Å; Y63-V67 HydrophobicContact CE1-CG2 4.42Å; Y63-V67 HydrophobicContact CE2-CG2 3.7Å; Y63-V67 WeakPolarHBondContact O-CG2 3.43Å; Y63-V67 PolarHBondContact O-N 3.34Å |
| 68 | G | 88.4 | Confident | 93 | Very high | 37 Ų | 37 | 51.2 Ų | 51.2 | 38% | 0.381 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -169.8 | -112.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L64 S65 | L64-G68 CarbonylContact O-C 3.33Å; L64-G68 PolarHBondContact O-N 3.32Å; L64-G68 VanDerWaalsContact O-N 3.12Å; S65-G68 VanDerWaalsContact O-O 3.11Å |
| 69 | N | 87.8 | Confident | 92.8 | Very high | 47 Ų | 47 | 51.7 Ų | 51.7 | 25% | 0.251 | 30% | 0.301 | S | S | . | . | trans | -151.7 | 149.6 | 172.8 | -74.4 | -74.6 | 0 | 0 | 0 | 108.9 | L64 A71 N72 S73 F94 | L64-N69 PolarHBondContact O-N 3.21Å; N69-A71 HydrophobicContact CB-CB 4.43Å; N69-A71 PolarHBondContact O-N 3.48Å; N69-N72 PolarHBondContact O-N 3.44Å; N69-S73 PolarHBondContact O-N 3.3Å; N69-S73 PolarHBondContact O-OG 3.16Å; N69-F94 WeakPolarHBondContact OD1-CB 3.34Å; N69-F94 PolarHBondContact OD1-N 2.97Å | ||
| 70 | V | 92.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -59.1 | -36.1 | 174.3 | 173.6 | 0 | 0 | 0 | 0 | 111 | F61 L64 N72 S73 W81 K82 V92 | F61-V70 HydrophobicContact CD2-CG2 3.9Å; F61-V70 HydrophobicContact CE2-CG2 4.16Å; L64-V70 HydrophobicContact CB-CG2 4.11Å; V70-N72 PolarHBondContact O-N 3.05Å; V70-N72 VanDerWaalsContact O-N 3.16Å; V70-S73 PolarHBondContact O-N 2.86Å; V70-W81 HydrophobicContact CG1-CB 3.6Å; V70-W81 HydrophobicContact CG2-CB 4.46Å; V70-K82 HydrophobicContact CG1-CG 4.14Å; V70-K82 WeakPolarHBondContact O-CE 3.47Å; V70-V92 PolarHBondContact N-O 3.45Å |
| 71 | A | 92.1 | Very high | 92.7 | Very high | 25 Ų | 25 | 50.5 Ų | 50.5 | 21% | 0.207 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -48.5 | -43.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N69 K82 V92 Y93 | N69-A71 HydrophobicContact CB-CB 4.43Å; N69-A71 PolarHBondContact O-N 3.48Å; A71-K82 WeakPolarHBondContact O-CE 3.43Å; A71-K82 PolarHBondContact O-NZ 3Å; A71-K82 VanDerWaalsContact O-NZ 3.09Å; A71-V92 HydrophobicContact CB-CG1 3.67Å; A71-V92 PolarHBondContact N-O 2.87Å; A71-V92 VanDerWaalsContact N-O 3.08Å; A71-Y93 HydrophobicContact CB-CD1 4.23Å; A71-Y93 HydrophobicContact CB-CE1 3.81Å |
| 72 | N | 90.9 | Very high | 92.6 | Very high | 136 Ų | 136 | 52.9 Ų | 52.9 | 73% | 0.727 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -98.1 | 6.5 | -174.9 | -59.8 | -29.5 | 0 | 0 | 0 | 113.2 | N69 V70 | N69-N72 PolarHBondContact O-N 3.44Å; V70-N72 PolarHBondContact O-N 3.05Å; V70-N72 VanDerWaalsContact O-N 3.16Å |
| 73 | S | 91.9 | Very high | 92.4 | Very high | 22 Ų | 22 | 52.7 Ų | 52.7 | 15% | 0.154 | 30% | 0.295 | C | S | . | . | trans | -97.6 | 145 | -179.2 | -60.1 | 0 | 0 | 0 | 0 | 110.5 | N69 V70 A78 K82 | N69-S73 PolarHBondContact O-N 3.3Å; N69-S73 PolarHBondContact O-OG 3.16Å; V70-S73 PolarHBondContact O-N 2.86Å; S73-A78 WeakPolarHBondContact O-CB 3.33Å; S73-K82 VanDerWaalsContact O-CE 3.29Å; S73-K82 WeakPolarHBondContact O-CE 3.38Å; S73-K82 PolarHBondContact O-NZ 3.45Å | ||
| 74 | D | 90.3 | Very high | 92.3 | Very high | 152 Ų | 152 | 46.6 Ų | 46.6 | 81% | 0.813 | 27% | 0.271 | S | S | * | . | trans | -109.2 | 158.8 | 176.7 | -64.1 | -44.2 | 0 | 0 | 0 | 111.1 | ||||
| 75 | G | 89.1 | Confident | 92.3 | Very high | 42 Ų | 42 | 45.5 Ų | 45.5 | 43% | 0.433 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 110.8 | 170.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I77 A78 S79 | G75-I77 VanDerWaalsContact C-N 3.34Å; G75-I77 PolarHBondContact O-N 3.25Å; G75-A78 PolarHBondContact O-N 2.88Å; G75-A78 VanDerWaalsContact O-N 3.13Å; G75-S79 PolarHBondContact O-N 3.22Å; G75-S79 PolarHBondContact O-OG 2.91Å |
| 76 | L | 90.1 | Very high | 92.2 | Very high | 95 Ų | 95 | 49.6 Ų | 49.6 | 50% | 0.497 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.1 | -42 | -168.3 | -174.9 | 64 | 0 | 0 | 0 | 113.4 | L17 L80 | L17-L76 HydrophobicContact CB-CD2 4.27Å; L17-L76 HydrophobicContact CD1-CD2 4.33Å; L17-L76 HydrophobicContact CD2-CD2 4.01Å; L17-L76 HydrophobicContact CD2-CG 4.05Å; L17-L76 HydrophobicContact CG-CD2 4.44Å; L76-L80 PolarHBondContact O-N 3.34Å |
| 77 | I | 92.3 | Very high | 92.2 | Very high | 38 Ų | 38 | 44.8 Ų | 44.8 | 20% | 0.195 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.8 | -41 | 179 | -55.5 | -62.1 | 0 | 0 | 0 | 111.4 | L17 L57 P60 G75 L80 W81 | L17-I77 HydrophobicContact CD2-CD1 3.47Å; L17-I77 VanDerWaalsContact CD2-CD1 3.47Å; L57-I77 HydrophobicContact CD2-CD1 3.84Å; P60-I77 HydrophobicContact CB-CG2 3.87Å; G75-I77 VanDerWaalsContact C-N 3.34Å; G75-I77 PolarHBondContact O-N 3.25Å; I77-L80 WeakPolarHBondContact O-CB 3.44Å; I77-L80 PolarHBondContact O-N 3.06Å; I77-W81 PolarHBondContact O-N 3.28Å |
| 78 | A | 92.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64 | -42.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L64 S73 G75 L80 W81 K82 | L64-A78 HydrophobicContact CD1-CB 4.23Å; S73-A78 WeakPolarHBondContact O-CB 3.33Å; G75-A78 PolarHBondContact O-N 2.88Å; G75-A78 VanDerWaalsContact O-N 3.13Å; A78-L80 VanDerWaalsContact C-N 3.33Å; A78-L80 PolarHBondContact O-N 3.06Å; A78-W81 PolarHBondContact O-N 2.79Å; A78-K82 WeakPolarHBondContact O-CB 3.45Å; A78-K82 VanDerWaalsContact O-CG 3.23Å; A78-K82 WeakPolarHBondContact O-CG 3.39Å; A78-K82 PolarHBondContact O-N 2.9Å |
| 79 | S | 92.9 | Very high | 92.7 | Very high | 22 Ų | 22 | 39.6 Ų | 39.6 | 15% | 0.154 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.7 | -39.6 | 173.6 | -64.7 | 0 | 0 | 0 | 0 | 112.4 | G75 K82 E83 | G75-S79 PolarHBondContact O-N 3.22Å; G75-S79 PolarHBondContact O-OG 2.91Å; S79-K82 PolarHBondContact O-N 2.95Å; S79-E83 WeakPolarHBondContact O-CB 3.25Å; S79-E83 PolarHBondContact O-N 2.89Å |
| 80 | L | 94.4 | Very high | 93.1 | Very high | 14 Ų | 14 | 37.8 Ų | 37.8 | 7% | 0.073 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61 | -47.8 | 175.5 | 179.8 | 154.2 | 0 | 0 | 0 | 112.1 | S14 L17 L57 L76 I77 A78 K82 E83 Y84 | S14-L80 VanDerWaalsContact OG-CA 3.26Å; S14-L80 WeakPolarHBondContact OG-CA 3.45Å; L17-L80 HydrophobicContact CD2-CD1 3.83Å; L17-L80 HydrophobicContact CG-CD1 4.41Å; L57-L80 HydrophobicContact CD2-CD1 4.06Å; L76-L80 PolarHBondContact O-N 3.34Å; I77-L80 WeakPolarHBondContact O-CB 3.44Å; I77-L80 PolarHBondContact O-N 3.06Å; A78-L80 VanDerWaalsContact C-N 3.33Å; A78-L80 PolarHBondContact O-N 3.06Å; L80-K82 VanDerWaalsContact C-N 3.34Å; L80-E83 WeakPolarHBondContact O-CB 3.47Å; L80-E83 PolarHBondContact O-N 2.98Å; L80-Y84 PolarHBondContact O-N 3.08Å |
| 81 | W | 95.4 | Very high | 93.2 | Very high | 18 Ų | 18 | 38.3 Ų | 38.3 | 7% | 0.068 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.4 | -29.4 | 179.2 | -69.4 | 118.2 | 0 | 0 | 0 | 112.8 | L57 E58 F61 V70 I77 A78 Y84 G85 W91 | L57-W81 HydrophobicContact CB-CZ2 4Å; L57-W81 PolarHBondContact O-NE1 3.32Å; L57-W81 VanDerWaalsContact O-NE1 3.1Å; E58-W81 HydrophobicContact CG-CZ2 4.41Å; F61-W81 HydrophobicContact CB-CD2 4.28Å; F61-W81 HydrophobicContact CB-CG 4.45Å; F61-W81 HydrophobicContact CB-CZ2 3.92Å; F61-W81 HydrophobicContact CD2-CD2 4.14Å; F61-W81 HydrophobicContact CD2-CG 4.17Å; F61-W81 HydrophobicContact CG-CD2 4.46Å; F61-W81 HydrophobicContact CG-CZ2 4.43Å; V70-W81 HydrophobicContact CG1-CB 3.6Å; V70-W81 HydrophobicContact CG2-CB 4.46Å; I77-W81 PolarHBondContact O-N 3.28Å; A78-W81 PolarHBondContact O-N 2.79Å; W81-Y84 HydrophobicContact CE3-CD1 4.2Å; W81-Y84 HydrophobicContact CZ3-CD1 4.07Å; W81-G85 WeakPolarHBondContact O-CA 3.4Å; W81-G85 PolarHBondContact O-N 3.21Å; W81-W91 HydrophobicContact CD2-CE3 4.22Å; W81-W91 HydrophobicContact CE3-CB 4.22Å; W81-W91 AromaticContact CE3-CD2 4Å; W81-W91 HydrophobicContact CE3-CD2 4Å; W81-W91 AromaticContact CE3-CE3 3.37Å; W81-W91 HydrophobicContact CE3-CE3 3.37Å; W81-W91 HydrophobicContact CE3-CG 4.38Å; W81-W91 AromaticContact CE3-CZ3 3.98Å; W81-W91 HydrophobicContact CE3-CZ3 3.98Å; W81-W91 AromaticContact CH2-CE3 3.56Å; W81-W91 HydrophobicContact CH2-CE3 3.56Å; W81-W91 HydrophobicContact CH2-CH2 4Å; W81-W91 AromaticContact CH2-CZ3 3.21Å; W81-W91 HydrophobicContact CH2-CZ3 3.21Å; W81-W91 HydrophobicContact CZ2-CE3 4.37Å; W81-W91 HydrophobicContact CZ2-CZ3 4.09Å; W81-W91 AromaticContact CZ3-CD2 3.71Å; W81-W91 HydrophobicContact CZ3-CD2 3.71Å; W81-W91 AromaticContact CZ3-CE3 3Å; W81-W91 HydrophobicContact CZ3-CE3 3Å; W81-W91 HydrophobicContact CZ3-CG 4.48Å; W81-W91 AromaticContact CZ3-CH2 3.97Å; W81-W91 HydrophobicContact CZ3-CH2 3.97Å; W81-W91 AromaticContact CZ3-CZ3 3.17Å; W81-W91 HydrophobicContact CZ3-CZ3 3.17Å |
| 82 | K | 94.4 | Very high | 93.4 | Very high | 51 Ų | 51 | 37.9 Ų | 37.9 | 22% | 0.222 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.7 | -39.4 | 167.6 | -71.4 | 173 | -167.3 | -176.9 | 0 | 112.1 | V70 A71 S73 A78 S79 L80 G85 K86 | V70-K82 HydrophobicContact CG1-CG 4.14Å; V70-K82 WeakPolarHBondContact O-CE 3.47Å; A71-K82 WeakPolarHBondContact O-CE 3.43Å; A71-K82 PolarHBondContact O-NZ 3Å; A71-K82 VanDerWaalsContact O-NZ 3.09Å; S73-K82 VanDerWaalsContact O-CE 3.29Å; S73-K82 WeakPolarHBondContact O-CE 3.38Å; S73-K82 PolarHBondContact O-NZ 3.45Å; A78-K82 WeakPolarHBondContact O-CB 3.45Å; A78-K82 VanDerWaalsContact O-CG 3.23Å; A78-K82 WeakPolarHBondContact O-CG 3.39Å; A78-K82 PolarHBondContact O-N 2.9Å; S79-K82 PolarHBondContact O-N 2.95Å; L80-K82 VanDerWaalsContact C-N 3.34Å; K82-G85 WeakPolarHBondContact O-CA 3.42Å; K82-G85 PolarHBondContact O-N 3.35Å; K82-K86 PolarHBondContact O-N 2.92Å |
| 83 | E | 93.6 | Very high | 93.5 | Very high | 11 Ų | 11 | 38.2 Ų | 38.2 | 5% | 0.051 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.1 | -49.9 | 175.9 | -174.3 | 62 | -140 | 0 | 0 | 111 | A11 S79 L80 G85 K86 Y168 | A11-E83 HydrophobicContact CB-CG 4.16Å; S79-E83 WeakPolarHBondContact O-CB 3.25Å; S79-E83 PolarHBondContact O-N 2.89Å; L80-E83 WeakPolarHBondContact O-CB 3.47Å; L80-E83 PolarHBondContact O-N 2.98Å; E83-G85 PolarHBondContact O-N 3.29Å; E83-K86 VanDerWaalsContact CD-NZ 3.27Å; E83-K86 WeakPolarHBondContact O-CB 3.47Å; E83-K86 WeakPolarHBondContact O-CG 3.31Å; E83-K86 PolarHBondContact O-N 2.92Å; E83-K86 VanDerWaalsContact O-N 3.12Å; E83-K86 IonicContact OE1-NZ 2.63Å; E83-K86 PolarHBondContact OE1-NZ 3.12Å; E83-K86 WeakPolarHBondContact OE2-CE 3.4Å; E83-K86 IonicContact OE2-NZ 3.56Å; E83-K86 PolarHBondContact OE2-NZ 3.39Å; E83-Y168 HydrophobicContact CG-CE2 4.1Å; E83-Y168 PolarHBondContact OE1-OH 2.83Å |
| 84 | Y | 94.1 | Very high | 93.5 | Very high | 24 Ų | 24 | 42 Ų | 42 | 9% | 0.094 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.2 | -33 | 174.9 | -170.1 | -108.3 | 0 | 0 | 0 | 111.8 | L80 W81 K86 A87 D88 W91 Y168 N173 | L80-Y84 PolarHBondContact O-N 3.08Å; W81-Y84 HydrophobicContact CE3-CD1 4.2Å; W81-Y84 HydrophobicContact CZ3-CD1 4.07Å; Y84-K86 PolarHBondContact O-N 3.33Å; Y84-K86 VanDerWaalsContact O-N 3.1Å; Y84-A87 WeakPolarHBondContact O-CA 3.21Å; Y84-A87 WeakPolarHBondContact O-CB 3.37Å; Y84-A87 PolarHBondContact O-N 2.97Å; Y84-D88 HydrophobicContact CE1-CB 4.46Å; Y84-D88 PolarHBondContact O-N 3.25Å; Y84-D88 VanDerWaalsContact O-N 3.13Å; Y84-W91 HydrophobicContact CD1-CB 4.1Å; Y84-W91 AromaticContact CD1-CD1 3.77Å; Y84-W91 AromaticContact CD1-CD2 3.96Å; Y84-W91 HydrophobicContact CD1-CD2 3.96Å; Y84-W91 AromaticContact CD1-CG 3.66Å; Y84-W91 HydrophobicContact CD1-CG 3.66Å; Y84-W91 AromaticContact CE1-CD1 3.58Å; Y84-W91 AromaticContact CE1-CD2 3.94Å; Y84-W91 HydrophobicContact CE1-CD2 3.94Å; Y84-W91 AromaticContact CE1-CE2 3.64Å; Y84-W91 AromaticContact CE1-CG 3.85Å; Y84-W91 HydrophobicContact CE1-CG 3.85Å; Y84-W91 HydrophobicContact CE1-CZ2 4.24Å; Y84-W91 AromaticContact CE1-NE1 3.47Å; Y84-Y168 HydrophobicContact CD2-CD2 4.14Å; Y84-Y168 HydrophobicContact CD2-CG 4.49Å; Y84-N173 PolarHBondContact OH-ND2 2.93Å |
| 85 | G | 93.9 | Very high | 93.7 | Very high | 12 Ų | 12 | 36.3 Ų | 36.3 | 12% | 0.124 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -52.1 | -26.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | W81 K82 E83 A87 D88 A89 V92 | W81-G85 WeakPolarHBondContact O-CA 3.4Å; W81-G85 PolarHBondContact O-N 3.21Å; K82-G85 WeakPolarHBondContact O-CA 3.42Å; K82-G85 PolarHBondContact O-N 3.35Å; E83-G85 PolarHBondContact O-N 3.29Å; G85-A87 PolarHBondContact O-N 2.96Å; G85-D88 WeakPolarHBondContact CA-O 3.29Å; G85-D88 CarbonylContact O-C 3.58Å; G85-A89 PolarHBondContact O-N 2.99Å; G85-V92 VanDerWaalsContact CA-CG2 3.43Å |
| 86 | K | 93.2 | Very high | 93.9 | Very high | 89 Ų | 89 | 38 Ų | 38 | 39% | 0.387 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -25.6 | 174.7 | -61 | 176.1 | -174.5 | 167.5 | 0 | 112.3 | K82 E83 Y84 N158 Y164 | K82-K86 PolarHBondContact O-N 2.92Å; E83-K86 VanDerWaalsContact CD-NZ 3.27Å; E83-K86 WeakPolarHBondContact O-CB 3.47Å; E83-K86 WeakPolarHBondContact O-CG 3.31Å; E83-K86 PolarHBondContact O-N 2.92Å; E83-K86 VanDerWaalsContact O-N 3.12Å; E83-K86 IonicContact OE1-NZ 2.63Å; E83-K86 PolarHBondContact OE1-NZ 3.12Å; E83-K86 WeakPolarHBondContact OE2-CE 3.4Å; E83-K86 IonicContact OE2-NZ 3.56Å; E83-K86 PolarHBondContact OE2-NZ 3.39Å; Y84-K86 PolarHBondContact O-N 3.33Å; Y84-K86 VanDerWaalsContact O-N 3.1Å; K86-N158 VanDerWaalsContact O-CB 3.24Å; K86-N158 WeakPolarHBondContact O-CB 3.47Å; K86-N158 PolarHBondContact O-ND2 2.89Å; K86-Y164 HydrophobicContact CB-CD2 4.48Å; K86-Y164 HydrophobicContact CB-CE1 4.14Å; K86-Y164 HydrophobicContact CB-CE2 3.92Å; K86-Y164 WeakPolarHBondContact CD-OH 3.29Å |
| 87 | A | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -38.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y84 G85 L157 N158 Y164 Y168 L169 | Y84-A87 WeakPolarHBondContact O-CA 3.21Å; Y84-A87 WeakPolarHBondContact O-CB 3.37Å; Y84-A87 PolarHBondContact O-N 2.97Å; G85-A87 PolarHBondContact O-N 2.96Å; A87-L157 WeakPolarHBondContact O-CA 3.34Å; A87-N158 PolarHBondContact O-N 3.47Å; A87-Y164 HydrophobicContact CB-CG 4.2Å; A87-Y168 HydrophobicContact CB-CD2 3.89Å; A87-Y168 HydrophobicContact CB-CG 4.3Å; A87-L169 HydrophobicContact CB-CD2 4.16Å; A87-L169 HydrophobicContact CB-CG 4.15Å |
| 88 | D | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -139.9 | 104.9 | 177.5 | -175.5 | -9.7 | 0 | 0 | 0 | 111.2 | Y84 G85 R90 W91 L157 L169 | Y84-D88 HydrophobicContact CE1-CB 4.46Å; Y84-D88 PolarHBondContact O-N 3.25Å; Y84-D88 VanDerWaalsContact O-N 3.13Å; G85-D88 WeakPolarHBondContact CA-O 3.29Å; G85-D88 CarbonylContact O-C 3.58Å; D88-R90 PolarHBondContact O-N 3.49Å; D88-R90 WeakPolarHBondContact OD1-CB 3.49Å; D88-R90 WeakPolarHBondContact OD1-CG 3.47Å; D88-R90 IonicContact OD1-CZ 3.71Å; D88-R90 PolarHBondContact OD1-N 3.21Å; D88-R90 VanDerWaalsContact OD1-N 3.16Å; D88-R90 IonicContact OD1-NE 3.61Å; D88-R90 PolarHBondContact OD1-NE 3.49Å; D88-R90 IonicContact OD1-NH2 3.59Å; D88-R90 IonicContact OD2-CZ 2.65Å; D88-R90 IonicContact OD2-NE 3.58Å; D88-R90 PolarHBondContact OD2-NE 3.08Å; D88-R90 IonicContact OD2-NH2 3.88Å; D88-R90 PolarHBondContact OD2-NH2 3.44Å; D88-W91 VanDerWaalsContact CG-CD1 3.48Å; D88-W91 PolarHBondContact O-N 3.33Å; D88-W91 PolarHBondContact OD2-NE1 3.07Å; D88-L157 HydrophobicContact CB-CD2 3.68Å; D88-L157 WeakPolarHBondContact OD2-CD2 3.33Å; D88-L169 HydrophobicContact CB-CD2 4.24Å |
| 89 | A | 95.1 | Very high | 94.4 | Very high | 33 Ų | 33 | 34.3 Ų | 34.3 | 27% | 0.273 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -63.1 | -18.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G85 W91 V92 Y93 N156 | G85-A89 PolarHBondContact O-N 2.99Å; A89-W91 PolarHBondContact O-N 2.79Å; A89-V92 PolarHBondContact O-N 3.42Å; A89-V92 VanDerWaalsContact O-N 3.08Å; A89-Y93 PolarHBondContact O-N 2.91Å; A89-N156 HydrophobicContact CB-CB 4.42Å; A89-N156 PolarHBondContact N-O 2.88Å |
| 90 | R | 95.8 | Very high | 94.6 | Very high | 8 Ų | 8 | 36.9 Ų | 36.9 | 3% | 0.03 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -68.1 | -12.9 | -179.7 | -62 | 174.2 | -64.1 | 162.2 | 3.6 | 113.6 | D88 V92 D95 I98 T145 E149 N156 | D88-R90 PolarHBondContact O-N 3.49Å; D88-R90 WeakPolarHBondContact OD1-CB 3.49Å; D88-R90 WeakPolarHBondContact OD1-CG 3.47Å; D88-R90 IonicContact OD1-CZ 3.71Å; D88-R90 PolarHBondContact OD1-N 3.21Å; D88-R90 VanDerWaalsContact OD1-N 3.16Å; D88-R90 IonicContact OD1-NE 3.61Å; D88-R90 PolarHBondContact OD1-NE 3.49Å; D88-R90 IonicContact OD1-NH2 3.59Å; D88-R90 IonicContact OD2-CZ 2.65Å; D88-R90 IonicContact OD2-NE 3.58Å; D88-R90 PolarHBondContact OD2-NE 3.08Å; D88-R90 IonicContact OD2-NH2 3.88Å; D88-R90 PolarHBondContact OD2-NH2 3.44Å; R90-V92 VanDerWaalsContact C-N 3.35Å; R90-D95 HydrophobicContact CB-CB 3.75Å; R90-D95 HydrophobicContact CG-CB 4.07Å; R90-I98 HydrophobicContact CB-CG1 3.83Å; R90-T145 PolarHBondContact NH1-O 3.27Å; R90-T145 PolarHBondContact NH2-O 3.24Å; R90-E149 IonicContact CZ-OE2 3.44Å; R90-E149 IonicContact NE-OE2 3.32Å; R90-E149 IonicContact NH1-OE2 3.37Å; R90-N156 HydrophobicContact CG-CB 3.76Å |
| 91 | W | 94.9 | Very high | 94.7 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 5% | 0.045 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -88.1 | -5.5 | 174.8 | -65.6 | 81.6 | 0 | 0 | 0 | 113.2 | F61 W81 Y84 D88 A89 I98 E102 | F61-W91 HydrophobicContact CD1-CE3 4.24Å; F61-W91 HydrophobicContact CD1-CZ3 4.12Å; F61-W91 HydrophobicContact CD2-CE3 4.02Å; F61-W91 HydrophobicContact CE1-CE3 4.07Å; F61-W91 HydrophobicContact CE1-CZ3 4.14Å; F61-W91 HydrophobicContact CE2-CB 4.4Å; F61-W91 AromaticContact CE2-CE3 3.84Å; F61-W91 HydrophobicContact CE2-CE3 3.84Å; F61-W91 WeakPolarHBondContact CE2-O 3.4Å; F61-W91 HydrophobicContact CG-CE3 4.23Å; F61-W91 HydrophobicContact CG-CZ3 4.38Å; F61-W91 AromaticContact CZ-CE3 3.86Å; F61-W91 HydrophobicContact CZ-CE3 3.86Å; F61-W91 HydrophobicContact CZ-CZ3 4.39Å; W81-W91 HydrophobicContact CD2-CE3 4.22Å; W81-W91 HydrophobicContact CE3-CB 4.22Å; W81-W91 AromaticContact CE3-CD2 4Å; W81-W91 HydrophobicContact CE3-CD2 4Å; W81-W91 AromaticContact CE3-CE3 3.37Å; W81-W91 HydrophobicContact CE3-CE3 3.37Å; W81-W91 HydrophobicContact CE3-CG 4.38Å; W81-W91 AromaticContact CE3-CZ3 3.98Å; W81-W91 HydrophobicContact CE3-CZ3 3.98Å; W81-W91 AromaticContact CH2-CE3 3.56Å; W81-W91 HydrophobicContact CH2-CE3 3.56Å; W81-W91 HydrophobicContact CH2-CH2 4Å; W81-W91 AromaticContact CH2-CZ3 3.21Å; W81-W91 HydrophobicContact CH2-CZ3 3.21Å; W81-W91 HydrophobicContact CZ2-CE3 4.37Å; W81-W91 HydrophobicContact CZ2-CZ3 4.09Å; W81-W91 AromaticContact CZ3-CD2 3.71Å; W81-W91 HydrophobicContact CZ3-CD2 3.71Å; W81-W91 AromaticContact CZ3-CE3 3Å; W81-W91 HydrophobicContact CZ3-CE3 3Å; W81-W91 HydrophobicContact CZ3-CG 4.48Å; W81-W91 AromaticContact CZ3-CH2 3.97Å; W81-W91 HydrophobicContact CZ3-CH2 3.97Å; W81-W91 AromaticContact CZ3-CZ3 3.17Å; W81-W91 HydrophobicContact CZ3-CZ3 3.17Å; Y84-W91 HydrophobicContact CD1-CB 4.1Å; Y84-W91 AromaticContact CD1-CD1 3.77Å; Y84-W91 AromaticContact CD1-CD2 3.96Å; Y84-W91 HydrophobicContact CD1-CD2 3.96Å; Y84-W91 AromaticContact CD1-CG 3.66Å; Y84-W91 HydrophobicContact CD1-CG 3.66Å; Y84-W91 AromaticContact CE1-CD1 3.58Å; Y84-W91 AromaticContact CE1-CD2 3.94Å; Y84-W91 HydrophobicContact CE1-CD2 3.94Å; Y84-W91 AromaticContact CE1-CE2 3.64Å; Y84-W91 AromaticContact CE1-CG 3.85Å; Y84-W91 HydrophobicContact CE1-CG 3.85Å; Y84-W91 HydrophobicContact CE1-CZ2 4.24Å; Y84-W91 AromaticContact CE1-NE1 3.47Å; D88-W91 VanDerWaalsContact CG-CD1 3.48Å; D88-W91 PolarHBondContact O-N 3.33Å; D88-W91 PolarHBondContact OD2-NE1 3.07Å; A89-W91 PolarHBondContact O-N 2.79Å; W91-I98 HydrophobicContact CD2-CG2 4.13Å; W91-I98 HydrophobicContact CE3-CG2 4.25Å; W91-I98 HydrophobicContact CH2-CG2 4.34Å; W91-I98 HydrophobicContact CZ2-CG2 4.16Å; W91-I98 HydrophobicContact CZ3-CG2 4.35Å; W91-E102 HydrophobicContact CH2-CG 4.11Å; W91-E102 WeakPolarHBondContact CH2-OE1 3.46Å; W91-E102 HydrophobicContact CZ3-CG 4.08Å |
| 92 | V | 95.4 | Very high | 94.7 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 10% | 0.097 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -36.7 | 179.9 | 178 | 0 | 0 | 0 | 0 | 111.6 | V70 A71 G85 A89 R90 | V70-V92 PolarHBondContact N-O 3.45Å; A71-V92 HydrophobicContact CB-CG1 3.67Å; A71-V92 PolarHBondContact N-O 2.87Å; A71-V92 VanDerWaalsContact N-O 3.08Å; G85-V92 VanDerWaalsContact CA-CG2 3.43Å; A89-V92 PolarHBondContact O-N 3.42Å; A89-V92 VanDerWaalsContact O-N 3.08Å; R90-V92 VanDerWaalsContact C-N 3.35Å |
| 93 | Y | 93.4 | Very high | 94.8 | Very high | 142 Ų | 142 | 37.9 Ų | 37.9 | 56% | 0.557 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | 151 | 179.2 | -57.2 | -74.3 | 0 | 0 | 0 | 109.9 | A71 A89 D95 | A71-Y93 HydrophobicContact CB-CD1 4.23Å; A71-Y93 HydrophobicContact CB-CE1 3.81Å; A89-Y93 PolarHBondContact O-N 2.91Å; Y93-D95 PolarHBondContact O-N 3.16Å |
| 94 | F | 91.3 | Very high | 94.9 | Very high | 101 Ų | 101 | 41.5 Ų | 41.5 | 44% | 0.443 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 105.6 | 178.1 | -175.8 | -94.3 | 0 | 0 | 0 | 111.6 | S65 L66 N69 P96 V99 | S65-F94 VanDerWaalsContact O-CD2 3.3Å; S65-F94 WeakPolarHBondContact O-CD2 3.39Å; L66-F94 HydrophobicContact CD2-CE2 4.27Å; N69-F94 WeakPolarHBondContact OD1-CB 3.34Å; N69-F94 PolarHBondContact OD1-N 2.97Å; F94-P96 HydrophobicContact CD1-CG 4.39Å; F94-P96 HydrophobicContact CE1-CB 4.47Å; F94-P96 HydrophobicContact CE1-CG 3.93Å; F94-V99 HydrophobicContact CD2-CG2 3.91Å; F94-V99 HydrophobicContact CE2-CB 4.14Å; F94-V99 HydrophobicContact CE2-CG1 3.92Å; F94-V99 HydrophobicContact CE2-CG2 3.97Å |
| 95 | D | 94.7 | Very high | 94.8 | Very high | 34 Ų | 34 | 40.9 Ų | 40.9 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | trans | -106.7 | 117.9 | 168.7 | -178.3 | -83.9 | 0 | 0 | 0 | 109.4 | R90 Y93 T97 I98 V99 | R90-D95 HydrophobicContact CB-CB 3.75Å; R90-D95 HydrophobicContact CG-CB 4.07Å; Y93-D95 PolarHBondContact O-N 3.16Å; D95-T97 PolarHBondContact O-N 3.49Å; D95-T97 WeakPolarHBondContact OD1-CA 3.31Å; D95-T97 WeakPolarHBondContact OD1-CB 3.18Å; D95-T97 PolarHBondContact OD1-N 3.33Å; D95-I98 HydrophobicContact CB-CB 4.24Å; D95-I98 HydrophobicContact CB-CG1 4.23Å; D95-I98 PolarHBondContact O-N 3.35Å; D95-I98 PolarHBondContact OD1-N 3.33Å; D95-V99 WeakPolarHBondContact O-CB 3.42Å; D95-V99 VanDerWaalsContact O-CG2 3.3Å; D95-V99 WeakPolarHBondContact O-CG2 3.15Å; D95-V99 PolarHBondContact O-N 2.96Å | ||
| 96 | P | 94.3 | Very high | 94.9 | Very high | 77 Ų | 77 | 41.4 Ų | 41.4 | 50% | 0.5 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.4 | -29.6 | -177.6 | -24.5 | 32.1 | 0 | 0 | 0 | 114.1 | F94 S100 | F94-P96 HydrophobicContact CD1-CG 4.39Å; F94-P96 HydrophobicContact CE1-CB 4.47Å; F94-P96 HydrophobicContact CE1-CG 3.93Å; P96-S100 WeakPolarHBondContact O-CB 3.35Å; P96-S100 PolarHBondContact O-N 3.24Å; P96-S100 VanDerWaalsContact O-N 3.07Å; P96-S100 PolarHBondContact O-OG 2.72Å |
| 97 | T | 94.1 | Very high | 95 | Very high | 52 Ų | 52 | 40 Ų | 40 | 32% | 0.319 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -72.9 | -52.4 | -179.1 | -52.3 | 0 | 0 | 0 | 0 | 109.8 | D95 S100 V101 P148 | D95-T97 PolarHBondContact O-N 3.49Å; D95-T97 WeakPolarHBondContact OD1-CA 3.31Å; D95-T97 WeakPolarHBondContact OD1-CB 3.18Å; D95-T97 PolarHBondContact OD1-N 3.33Å; T97-S100 PolarHBondContact O-N 2.98Å; T97-V101 WeakPolarHBondContact O-CG2 3.42Å; T97-V101 PolarHBondContact O-N 2.85Å; T97-P148 HydrophobicContact CG2-CG 4.24Å |
| 98 | I | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.5 | -51.2 | 178.4 | -61.4 | -56.1 | 0 | 0 | 0 | 110.1 | F61 R90 W91 D95 S100 V101 E102 T145 | F61-I98 HydrophobicContact CE1-CG2 3.94Å; F61-I98 HydrophobicContact CZ-CG2 3.83Å; R90-I98 HydrophobicContact CB-CG1 3.83Å; W91-I98 HydrophobicContact CD2-CG2 4.13Å; W91-I98 HydrophobicContact CE3-CG2 4.25Å; W91-I98 HydrophobicContact CH2-CG2 4.34Å; W91-I98 HydrophobicContact CZ2-CG2 4.16Å; W91-I98 HydrophobicContact CZ3-CG2 4.35Å; D95-I98 HydrophobicContact CB-CB 4.24Å; D95-I98 HydrophobicContact CB-CG1 4.23Å; D95-I98 PolarHBondContact O-N 3.35Å; D95-I98 PolarHBondContact OD1-N 3.33Å; I98-S100 VanDerWaalsContact C-N 3.27Å; I98-S100 PolarHBondContact O-N 2.76Å; I98-V101 PolarHBondContact O-N 2.95Å; I98-V101 VanDerWaalsContact O-N 3.11Å; I98-E102 HydrophobicContact CG2-CG 4.03Å; I98-E102 WeakPolarHBondContact O-CB 3.36Å; I98-E102 VanDerWaalsContact O-CG 3.26Å; I98-E102 WeakPolarHBondContact O-CG 3.46Å; I98-E102 PolarHBondContact O-N 2.91Å; I98-T145 HydrophobicContact CD1-CG2 3.82Å |
| 99 | V | 96.3 | Very high | 95 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.8 | -37.1 | -178.8 | 177.4 | 0 | 0 | 0 | 0 | 111.8 | F61 L66 F94 D95 E102 I103 | F61-V99 HydrophobicContact CE1-CG2 4.33Å; F61-V99 HydrophobicContact CZ-CG2 4.24Å; L66-V99 HydrophobicContact CD2-CG1 4.14Å; L66-V99 HydrophobicContact CG-CG1 4.49Å; F94-V99 HydrophobicContact CD2-CG2 3.91Å; F94-V99 HydrophobicContact CE2-CB 4.14Å; F94-V99 HydrophobicContact CE2-CG1 3.92Å; F94-V99 HydrophobicContact CE2-CG2 3.97Å; D95-V99 WeakPolarHBondContact O-CB 3.42Å; D95-V99 VanDerWaalsContact O-CG2 3.3Å; D95-V99 WeakPolarHBondContact O-CG2 3.15Å; D95-V99 PolarHBondContact O-N 2.96Å; V99-E102 PolarHBondContact O-N 3.16Å; V99-I103 HydrophobicContact CG1-CD1 3.94Å; V99-I103 HydrophobicContact CG1-CG1 4.41Å; V99-I103 WeakPolarHBondContact O-CD1 3.4Å; V99-I103 VanDerWaalsContact O-CG1 3.23Å; V99-I103 WeakPolarHBondContact O-CG1 3.13Å; V99-I103 PolarHBondContact O-N 3.44Å |
| 100 | S | 95.7 | Very high | 95 | Very high | 77 Ų | 77 | 42.1 Ų | 42.1 | 54% | 0.538 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.3 | -39.7 | 176.6 | -63.1 | 0 | 0 | 0 | 0 | 112.8 | P96 T97 I98 L104 | P96-S100 WeakPolarHBondContact O-CB 3.35Å; P96-S100 PolarHBondContact O-N 3.24Å; P96-S100 VanDerWaalsContact O-N 3.07Å; P96-S100 PolarHBondContact O-OG 2.72Å; T97-S100 PolarHBondContact O-N 2.98Å; I98-S100 VanDerWaalsContact C-N 3.27Å; I98-S100 PolarHBondContact O-N 2.76Å; S100-L104 PolarHBondContact O-N 3.3Å |
| 101 | V | 96.2 | Very high | 95.1 | Very high | 19 Ų | 19 | 43.8 Ų | 43.8 | 12% | 0.115 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.9 | -48.1 | 175 | 170.9 | 0 | 0 | 0 | 0 | 109.7 | T97 I98 I103 L104 T105 M144 | T97-V101 WeakPolarHBondContact O-CG2 3.42Å; T97-V101 PolarHBondContact O-N 2.85Å; I98-V101 PolarHBondContact O-N 2.95Å; I98-V101 VanDerWaalsContact O-N 3.11Å; V101-I103 PolarHBondContact O-N 3.37Å; V101-L104 WeakPolarHBondContact O-CA 3.31Å; V101-L104 WeakPolarHBondContact O-CB 3.46Å; V101-L104 PolarHBondContact O-N 2.99Å; V101-T105 HydrophobicContact CG1-CG2 4.12Å; V101-T105 PolarHBondContact O-N 2.88Å; V101-M144 HydrophobicContact CG2-CB 3.77Å |
| 102 | E | 96.6 | Very high | 95.2 | Very high | 9 Ų | 9 | 44.2 Ų | 44.2 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.4 | -33.4 | -175.8 | -65.6 | -65.3 | 128.6 | 0 | 0 | 113.1 | E58 F61 V62 W91 I98 V99 L104 T105 V106 | E58-E102 VanDerWaalsContact CB-OE2 3.23Å; E58-E102 WeakPolarHBondContact CB-OE2 3.34Å; E58-E102 WeakPolarHBondContact CG-OE2 3.18Å; F61-E102 HydrophobicContact CD1-CB 4.06Å; F61-E102 HydrophobicContact CD1-CG 3.94Å; F61-E102 HydrophobicContact CE1-CB 4.01Å; F61-E102 HydrophobicContact CE1-CG 3.71Å; V62-E102 HydrophobicContact CG2-CB 3.57Å; W91-E102 HydrophobicContact CH2-CG 4.11Å; W91-E102 WeakPolarHBondContact CH2-OE1 3.46Å; W91-E102 HydrophobicContact CZ3-CG 4.08Å; I98-E102 HydrophobicContact CG2-CG 4.03Å; I98-E102 WeakPolarHBondContact O-CB 3.36Å; I98-E102 VanDerWaalsContact O-CG 3.26Å; I98-E102 WeakPolarHBondContact O-CG 3.46Å; I98-E102 PolarHBondContact O-N 2.91Å; V99-E102 PolarHBondContact O-N 3.16Å; E102-L104 PolarHBondContact O-N 3.07Å; E102-T105 VanDerWaalsContact CA-OG1 3.3Å; E102-T105 WeakPolarHBondContact CA-OG1 3.43Å; E102-T105 PolarHBondContact O-N 3.38Å; E102-T105 PolarHBondContact O-OG1 2.84Å; E102-T105 VanDerWaalsContact O-OG1 3.07Å; E102-V106 WeakPolarHBondContact O-CB 3.5Å; E102-V106 WeakPolarHBondContact O-CG2 3.23Å; E102-V106 PolarHBondContact O-N 3.09Å |
| 103 | I | 96.3 | Very high | 95.3 | Very high | 76 Ų | 76 | 43.4 Ų | 43.4 | 39% | 0.39 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.3 | -41.4 | 170.5 | -73.2 | 163.3 | 0 | 0 | 0 | 110.5 | V62 L66 V99 V101 A107 | V62-I103 HydrophobicContact CG1-CD1 4.42Å; V62-I103 HydrophobicContact CG1-CG1 3.53Å; V62-I103 HydrophobicContact CG2-CG1 4.29Å; L66-I103 HydrophobicContact CD1-CD1 4.43Å; V99-I103 HydrophobicContact CG1-CD1 3.94Å; V99-I103 HydrophobicContact CG1-CG1 4.41Å; V99-I103 WeakPolarHBondContact O-CD1 3.4Å; V99-I103 VanDerWaalsContact O-CG1 3.23Å; V99-I103 WeakPolarHBondContact O-CG1 3.13Å; V99-I103 PolarHBondContact O-N 3.44Å; V101-I103 PolarHBondContact O-N 3.37Å; I103-A107 VanDerWaalsContact O-CB 3.23Å; I103-A107 WeakPolarHBondContact O-CB 3.36Å; I103-A107 PolarHBondContact O-N 2.95Å; I103-A107 VanDerWaalsContact O-N 3.13Å |
| 104 | L | 94.6 | Very high | 95.5 | Very high | 87 Ų | 87 | 40.9 Ų | 40.9 | 46% | 0.455 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -71.5 | -46.3 | 179.4 | -171.3 | 157 | 0 | 0 | 0 | 111 | S100 V101 E102 V106 A107 L108 | S100-L104 PolarHBondContact O-N 3.3Å; V101-L104 WeakPolarHBondContact O-CA 3.31Å; V101-L104 WeakPolarHBondContact O-CB 3.46Å; V101-L104 PolarHBondContact O-N 2.99Å; E102-L104 PolarHBondContact O-N 3.07Å; L104-V106 PolarHBondContact O-N 3.38Å; L104-A107 PolarHBondContact O-N 3.32Å; L104-L108 HydrophobicContact CD2-CB 4.12Å; L104-L108 HydrophobicContact CD2-CD2 3.93Å; L104-L108 HydrophobicContact CG-CB 4.38Å; L104-L108 HydrophobicContact CG-CD2 4.38Å; L104-L108 WeakPolarHBondContact O-CA 3.27Å; L104-L108 WeakPolarHBondContact O-CB 3.36Å; L104-L108 PolarHBondContact O-N 3.44Å |
| 105 | T | 93.7 | Very high | 95.8 | Very high | 10 Ų | 10 | 42.1 Ų | 42.1 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -61.7 | -44.5 | 180 | 60.9 | 0 | 0 | 0 | 0 | 111.1 | E58 V101 E102 A107 D109 G110 | E58-T105 PolarHBondContact OE2-OG1 3.34Å; V101-T105 HydrophobicContact CG1-CG2 4.12Å; V101-T105 PolarHBondContact O-N 2.88Å; E102-T105 VanDerWaalsContact CA-OG1 3.3Å; E102-T105 WeakPolarHBondContact CA-OG1 3.43Å; E102-T105 PolarHBondContact O-N 3.38Å; E102-T105 PolarHBondContact O-OG1 2.84Å; E102-T105 VanDerWaalsContact O-OG1 3.07Å; T105-A107 PolarHBondContact O-N 3.15Å; T105-D109 CarbonylContact O-C 3.54Å; T105-D109 WeakPolarHBondContact O-CA 3.39Å; T105-D109 VanDerWaalsContact O-CB 3.27Å; T105-D109 WeakPolarHBondContact O-CB 3.47Å; T105-D109 PolarHBondContact O-N 3.04Å; T105-G110 PolarHBondContact O-N 2.91Å |
| 106 | V | 95.3 | Very high | 96 | Very high | 23 Ų | 23 | 40.5 Ų | 40.5 | 14% | 0.139 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -63.7 | -47.3 | 178.2 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | F55 E58 V62 E102 L104 | F55-V106 HydrophobicContact CD1-CG1 4.41Å; F55-V106 WeakPolarHBondContact CE1-O 3.31Å; E58-V106 HydrophobicContact CB-CG2 3.55Å; V62-V106 HydrophobicContact CG2-CG2 4.19Å; E102-V106 WeakPolarHBondContact O-CB 3.5Å; E102-V106 WeakPolarHBondContact O-CG2 3.23Å; E102-V106 PolarHBondContact O-N 3.09Å; L104-V106 PolarHBondContact O-N 3.38Å |
| 107 | A | 94.4 | Very high | 96.2 | Very high | 61 Ų | 61 | 37.6 Ų | 37.6 | 50% | 0.504 | 22% | 0.215 | S | C | . | . | I | π-helix | trans | -78.8 | -45.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I103 L104 T105 S111 | I103-A107 VanDerWaalsContact O-CB 3.23Å; I103-A107 WeakPolarHBondContact O-CB 3.36Å; I103-A107 PolarHBondContact O-N 2.95Å; I103-A107 VanDerWaalsContact O-N 3.13Å; L104-A107 PolarHBondContact O-N 3.32Å; T105-A107 PolarHBondContact O-N 3.15Å; A107-S111 VanDerWaalsContact O-CB 3.25Å; A107-S111 WeakPolarHBondContact O-CB 3.35Å; A107-S111 PolarHBondContact O-OG 3.25Å |
| 108 | L | 95.1 | Very high | 96.3 | Very high | 75 Ų | 75 | 40.3 Ų | 40.3 | 39% | 0.393 | 22% | 0.22 | S | C | . | . | I | π-helix | trans | -90.7 | -57.8 | -175.1 | -173.8 | 64.9 | 0 | 0 | 0 | 111.1 | L104 S111 L112 | L104-L108 HydrophobicContact CD2-CB 4.12Å; L104-L108 HydrophobicContact CD2-CD2 3.93Å; L104-L108 HydrophobicContact CG-CB 4.38Å; L104-L108 HydrophobicContact CG-CD2 4.38Å; L104-L108 WeakPolarHBondContact O-CA 3.27Å; L104-L108 WeakPolarHBondContact O-CB 3.36Å; L104-L108 PolarHBondContact O-N 3.44Å; L108-S111 PolarHBondContact O-N 3.46Å; L108-L112 HydrophobicContact CD1-CD1 4.08Å; L108-L112 HydrophobicContact CD1-CG 4.29Å; L108-L112 HydrophobicContact CG-CD1 3.85Å; L108-L112 HydrophobicContact CG-CG 4.4Å; L108-L112 WeakPolarHBondContact O-CB 3.28Å; L108-L112 VanDerWaalsContact O-CG 3.31Å; L108-L112 WeakPolarHBondContact O-CG 3.41Å; L108-L112 PolarHBondContact O-N 3.36Å |
| 109 | D | 95.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -69.9 | -45.2 | -170.8 | -61.9 | -6.3 | 0 | 0 | 0 | 110.6 | T105 S111 L112 A113 L134 C137 | T105-D109 CarbonylContact O-C 3.54Å; T105-D109 WeakPolarHBondContact O-CA 3.39Å; T105-D109 VanDerWaalsContact O-CB 3.27Å; T105-D109 WeakPolarHBondContact O-CB 3.47Å; T105-D109 PolarHBondContact O-N 3.04Å; D109-S111 VanDerWaalsContact C-N 3.28Å; D109-S111 PolarHBondContact O-N 3.44Å; D109-L112 CarbonylContact O-C 3.35Å; D109-L112 PolarHBondContact O-N 2.86Å; D109-L112 VanDerWaalsContact O-N 3.12Å; D109-A113 WeakPolarHBondContact O-CB 3.45Å; D109-A113 PolarHBondContact O-N 2.78Å; D109-L134 HydrophobicContact CB-CD1 3.67Å; D109-L134 WeakPolarHBondContact O-CD1 3.31Å; D109-C137 WeakPolarHBondContact OD1-CB 3.04Å; D109-C137 WeakPolarHBondContact OD2-CB 3.23Å |
| 110 | G | 96.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.2 | -41.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F55 T105 L114 | F55-G110 WeakPolarHBondContact CE2-O 3.15Å; T105-G110 PolarHBondContact O-N 2.91Å; G110-L114 WeakPolarHBondContact O-CG 3.18Å; G110-L114 PolarHBondContact O-N 3.14Å |
| 111 | S | 96.6 | Very high | 96.5 | Very high | 44 Ų | 44 | 38.3 Ų | 38.3 | 31% | 0.308 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -69.5 | -43.2 | 176.3 | -64.4 | 0 | 0 | 0 | 0 | 112.3 | A107 L108 D109 A113 L114 F115 | A107-S111 VanDerWaalsContact O-CB 3.25Å; A107-S111 WeakPolarHBondContact O-CB 3.35Å; A107-S111 PolarHBondContact O-OG 3.25Å; L108-S111 PolarHBondContact O-N 3.46Å; D109-S111 VanDerWaalsContact C-N 3.28Å; D109-S111 PolarHBondContact O-N 3.44Å; S111-A113 VanDerWaalsContact C-N 3.33Å; S111-A113 PolarHBondContact O-N 3.44Å; S111-L114 PolarHBondContact O-N 3.39Å; S111-F115 WeakPolarHBondContact O-CD2 3.32Å; S111-F115 PolarHBondContact O-N 3.49Å |
| 112 | L | 97.4 | Very high | 96.5 | Very high | 20 Ų | 20 | 43.2 Ų | 43.2 | 11% | 0.105 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.5 | -39.7 | 177 | -77.1 | 174.8 | 0 | 0 | 0 | 111.4 | L108 D109 L114 F115 L116 L130 T133 L134 | L108-L112 HydrophobicContact CD1-CD1 4.08Å; L108-L112 HydrophobicContact CD1-CG 4.29Å; L108-L112 HydrophobicContact CG-CD1 3.85Å; L108-L112 HydrophobicContact CG-CG 4.4Å; L108-L112 WeakPolarHBondContact O-CB 3.28Å; L108-L112 VanDerWaalsContact O-CG 3.31Å; L108-L112 WeakPolarHBondContact O-CG 3.41Å; L108-L112 PolarHBondContact O-N 3.36Å; D109-L112 CarbonylContact O-C 3.35Å; D109-L112 PolarHBondContact O-N 2.86Å; D109-L112 VanDerWaalsContact O-N 3.12Å; L112-L114 PolarHBondContact O-N 3.29Å; L112-F115 PolarHBondContact O-N 2.78Å; L112-L116 VanDerWaalsContact O-CB 3.23Å; L112-L116 WeakPolarHBondContact O-CB 3.38Å; L112-L116 PolarHBondContact O-N 3.27Å; L112-L130 HydrophobicContact CD2-CD2 3.94Å; L112-T133 HydrophobicContact CD1-CG2 3.87Å; L112-L134 HydrophobicContact CB-CB 4.28Å; L112-L134 HydrophobicContact CB-CD1 4Å |
| 113 | A | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.7 | -46.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L47 D50 A51 D109 S111 L116 I117 L134 | L47-A113 HydrophobicContact CD2-CB 4.48Å; D50-A113 WeakPolarHBondContact OD2-CB 3.19Å; A51-A113 HydrophobicContact CB-CB 4.13Å; D109-A113 WeakPolarHBondContact O-CB 3.45Å; D109-A113 PolarHBondContact O-N 2.78Å; S111-A113 VanDerWaalsContact C-N 3.33Å; S111-A113 PolarHBondContact O-N 3.44Å; A113-L116 PolarHBondContact O-N 2.87Å; A113-I117 VanDerWaalsContact O-CG1 3.24Å; A113-I117 WeakPolarHBondContact O-CG1 3.5Å; A113-I117 PolarHBondContact O-N 2.88Å; A113-L134 HydrophobicContact CB-CD2 4.1Å |
| 114 | L | 98 | Very high | 96.3 | Very high | 89 Ų | 89 | 47.6 Ų | 47.6 | 47% | 0.466 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 175.2 | -66.4 | 178.4 | 0 | 0 | 0 | 112.6 | A51 F55 G110 S111 L112 L116 I117 Y118 | A51-L114 HydrophobicContact CB-CD2 4.02Å; A51-L114 HydrophobicContact CB-CG 4.43Å; F55-L114 HydrophobicContact CE2-CD1 3.6Å; F55-L114 HydrophobicContact CE2-CG 4.01Å; F55-L114 HydrophobicContact CZ-CD1 4.1Å; G110-L114 WeakPolarHBondContact O-CG 3.18Å; G110-L114 PolarHBondContact O-N 3.14Å; S111-L114 PolarHBondContact O-N 3.39Å; L112-L114 PolarHBondContact O-N 3.29Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 3.49Å; L114-I117 HydrophobicContact CD2-CD1 4.49Å; L114-I117 PolarHBondContact O-N 3.24Å; L114-Y118 PolarHBondContact O-N 2.9Å |
| 115 | F | 97.9 | Very high | 96.3 | Very high | 126 Ų | 126 | 51.2 Ų | 51.2 | 55% | 0.553 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -65.1 | -36.5 | 176.8 | -75.1 | -57.2 | 0 | 0 | 0 | 112.5 | S111 L112 Y118 A119 L130 | S111-F115 WeakPolarHBondContact O-CD2 3.32Å; S111-F115 PolarHBondContact O-N 3.49Å; L112-F115 PolarHBondContact O-N 2.78Å; F115-Y118 WeakPolarHBondContact O-CB 3.25Å; F115-Y118 PolarHBondContact O-N 3.14Å; F115-A119 WeakPolarHBondContact O-CB 3.24Å; F115-A119 PolarHBondContact O-N 3.41Å; F115-L130 HydrophobicContact CB-CD1 3.97Å |
| 116 | L | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.6 | -42.6 | 177.3 | 178.9 | 56.2 | 0 | 0 | 0 | 111.5 | L47 L112 A113 L114 Y118 A119 I120 R127 L130 Q131 L134 | L47-L116 HydrophobicContact CD1-CB 4.34Å; L47-L116 HydrophobicContact CD1-CD2 3.64Å; L47-L116 HydrophobicContact CD1-CG 3.63Å; L47-L116 HydrophobicContact CD2-CD2 3.69Å; L47-L116 HydrophobicContact CD2-CG 4.42Å; L47-L116 HydrophobicContact CG-CD2 4.31Å; L112-L116 VanDerWaalsContact O-CB 3.23Å; L112-L116 WeakPolarHBondContact O-CB 3.38Å; L112-L116 PolarHBondContact O-N 3.27Å; A113-L116 PolarHBondContact O-N 2.87Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 3.49Å; L116-Y118 VanDerWaalsContact C-N 3.28Å; L116-Y118 PolarHBondContact O-N 3.48Å; L116-A119 WeakPolarHBondContact O-CB 3.47Å; L116-A119 PolarHBondContact O-N 3.41Å; L116-A119 VanDerWaalsContact O-N 3.09Å; L116-I120 HydrophobicContact CD1-CD1 4.05Å; L116-I120 HydrophobicContact CD1-CG1 4.07Å; L116-I120 HydrophobicContact CG-CD1 4Å; L116-I120 HydrophobicContact CG-CG1 4.47Å; L116-I120 WeakPolarHBondContact O-CG1 3.46Å; L116-I120 PolarHBondContact O-N 3.4Å; L116-R127 HydrophobicContact CD1-CB 4.37Å; L116-R127 WeakPolarHBondContact CD1-O 3.41Å; L116-L130 HydrophobicContact CB-CB 4.3Å; L116-L130 HydrophobicContact CD1-CB 4.07Å; L116-Q131 HydrophobicContact CD1-CB 3.9Å; L116-Q131 HydrophobicContact CD2-CB 3.77Å; L116-Q131 HydrophobicContact CD2-CG 4.06Å; L116-L134 HydrophobicContact CD2-CD2 3.93Å |
| 117 | I | 98.1 | Very high | 96.4 | Very high | 17 Ų | 17 | 54.8 Ų | 54.8 | 9% | 0.087 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -53.7 | -49.6 | 171 | -71.1 | 162.6 | 0 | 0 | 0 | 109.9 | L32 L44 L47 A113 L114 A119 I120 V121 | L32-I117 HydrophobicContact CD1-CG2 3.72Å; L44-I117 HydrophobicContact CD2-CB 4.28Å; L44-I117 HydrophobicContact CD2-CG1 4.26Å; L44-I117 HydrophobicContact CD2-CG2 3.96Å; L47-I117 HydrophobicContact CB-CD1 3.93Å; L47-I117 HydrophobicContact CB-CG1 3.57Å; L47-I117 HydrophobicContact CD1-CG1 4.24Å; A113-I117 VanDerWaalsContact O-CG1 3.24Å; A113-I117 WeakPolarHBondContact O-CG1 3.5Å; A113-I117 PolarHBondContact O-N 2.88Å; L114-I117 HydrophobicContact CD2-CD1 4.49Å; L114-I117 PolarHBondContact O-N 3.24Å; I117-A119 VanDerWaalsContact C-N 3.34Å; I117-A119 PolarHBondContact O-N 2.85Å; I117-I120 PolarHBondContact O-N 3.13Å; I117-V121 HydrophobicContact CG2-CG2 4.42Å; I117-V121 WeakPolarHBondContact O-CB 3.31Å; I117-V121 VanDerWaalsContact O-CG2 3.28Å; I117-V121 WeakPolarHBondContact O-CG2 3.47Å; I117-V121 PolarHBondContact O-N 3.49Å |
| 118 | Y | 97.6 | Very high | 96.5 | Very high | 108 Ų | 108 | 52.2 Ų | 52.2 | 42% | 0.424 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.5 | -45.6 | 176.1 | 170.2 | -89.9 | 0 | 0 | 0 | 111.8 | L114 F115 L116 I120 V121 K122 K124 | L114-Y118 PolarHBondContact O-N 2.9Å; F115-Y118 WeakPolarHBondContact O-CB 3.25Å; F115-Y118 PolarHBondContact O-N 3.14Å; L116-Y118 VanDerWaalsContact C-N 3.28Å; L116-Y118 PolarHBondContact O-N 3.48Å; Y118-I120 VanDerWaalsContact C-N 3.35Å; Y118-I120 PolarHBondContact O-N 3.43Å; Y118-V121 PolarHBondContact O-N 3.02Å; Y118-K122 HydrophobicContact CD2-CG 3.99Å; Y118-K122 HydrophobicContact CE1-CB 4.47Å; Y118-K122 HydrophobicContact CE1-CG 4.36Å; Y118-K122 HydrophobicContact CE2-CG 3.65Å; Y118-K122 WeakPolarHBondContact O-CB 3.32Å; Y118-K122 WeakPolarHBondContact O-CG 3.45Å; Y118-K122 PolarHBondContact O-N 3.49Å; Y118-K124 HydrophobicContact CE1-CG 4.2Å |
| 119 | A | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.4 | -38.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | F115 L116 I117 E123 K124 Y126 R127 L130 | F115-A119 WeakPolarHBondContact O-CB 3.24Å; F115-A119 PolarHBondContact O-N 3.41Å; L116-A119 WeakPolarHBondContact O-CB 3.47Å; L116-A119 PolarHBondContact O-N 3.41Å; L116-A119 VanDerWaalsContact O-N 3.09Å; I117-A119 VanDerWaalsContact C-N 3.34Å; I117-A119 PolarHBondContact O-N 2.85Å; A119-E123 PolarHBondContact O-N 2.86Å; A119-K124 HydrophobicContact CB-CB 4.08Å; A119-K124 HydrophobicContact CB-CG 4.48Å; A119-K124 PolarHBondContact O-N 3.2Å; A119-Y126 HydrophobicContact CB-CD2 4.22Å; A119-Y126 HydrophobicContact CB-CE2 3.81Å; A119-R127 HydrophobicContact CB-CB 3.87Å; A119-L130 HydrophobicContact CB-CD1 4.08Å |
| 120 | I | 96.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.7 | -51.3 | 174.8 | -66.3 | 167.3 | 0 | 0 | 0 | 110 | D40 A43 L44 L47 L116 I117 Y118 K122 E123 | D40-I120 HydrophobicContact CB-CG2 4.05Å; A43-I120 HydrophobicContact CB-CD1 4.33Å; L44-I120 HydrophobicContact CD1-CG2 3.93Å; L44-I120 HydrophobicContact CD2-CB 4.09Å; L44-I120 HydrophobicContact CD2-CD1 4.34Å; L44-I120 HydrophobicContact CD2-CG2 3.97Å; L44-I120 HydrophobicContact CG-CG2 3.88Å; L47-I120 HydrophobicContact CD1-CD1 3.54Å; L116-I120 HydrophobicContact CD1-CD1 4.05Å; L116-I120 HydrophobicContact CD1-CG1 4.07Å; L116-I120 HydrophobicContact CG-CD1 4Å; L116-I120 HydrophobicContact CG-CG1 4.47Å; L116-I120 WeakPolarHBondContact O-CG1 3.46Å; L116-I120 PolarHBondContact O-N 3.4Å; I117-I120 PolarHBondContact O-N 3.13Å; Y118-I120 VanDerWaalsContact C-N 3.35Å; Y118-I120 PolarHBondContact O-N 3.43Å; I120-K122 PolarHBondContact O-N 2.83Å; I120-E123 PolarHBondContact O-N 3.48Å; I120-E123 VanDerWaalsContact O-N 3.15Å |
| 121 | V | 96.6 | Very high | 96.9 | Very high | 39 Ų | 39 | 56.4 Ų | 56.4 | 24% | 0.236 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.4 | -34.8 | -177.7 | 170.8 | 0 | 0 | 0 | 0 | 112.1 | L32 L44 I117 Y118 | L32-V121 HydrophobicContact CB-CG2 4.03Å; L44-V121 HydrophobicContact CD1-CG2 4.35Å; L44-V121 HydrophobicContact CD2-CG2 4.09Å; I117-V121 HydrophobicContact CG2-CG2 4.42Å; I117-V121 WeakPolarHBondContact O-CB 3.31Å; I117-V121 VanDerWaalsContact O-CG2 3.28Å; I117-V121 WeakPolarHBondContact O-CG2 3.47Å; I117-V121 PolarHBondContact O-N 3.49Å; Y118-V121 PolarHBondContact O-N 3.02Å |
| 122 | K | 96.3 | Very high | 96.9 | Very high | 122 Ų | 122 | 57 Ų | 57 | 53% | 0.53 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 9.5 | -179.6 | -60.3 | -60.6 | -173.4 | -179.2 | 0 | 114.1 | Y118 I120 K124 | Y118-K122 HydrophobicContact CD2-CG 3.99Å; Y118-K122 HydrophobicContact CE1-CB 4.47Å; Y118-K122 HydrophobicContact CE1-CG 4.36Å; Y118-K122 HydrophobicContact CE2-CG 3.65Å; Y118-K122 WeakPolarHBondContact O-CB 3.32Å; Y118-K122 WeakPolarHBondContact O-CG 3.45Å; Y118-K122 PolarHBondContact O-N 3.49Å; I120-K122 PolarHBondContact O-N 2.83Å; K122-K124 VanDerWaalsContact C-N 3.3Å; K122-K124 HydrophobicContact CB-CD 4.32Å; K122-K124 HydrophobicContact CB-CG 4.02Å; K122-K124 PolarHBondContact O-N 3.38Å |
| 123 | E | 93.6 | Very high | 97 | Very high | 104 Ų | 104 | 58.1 Ų | 58.1 | 49% | 0.486 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 47.6 | 176.5 | -63.3 | -73.5 | 147.5 | 0 | 0 | 112.5 | R36 A119 I120 | R36-E123 WeakPolarHBondContact CD-OE1 3.45Å; R36-E123 IonicContact CZ-OE1 3.71Å; R36-E123 IonicContact NE-OE1 2.72Å; R36-E123 IonicContact NH1-OE1 3.43Å; R36-E123 PolarHBondContact NH1-OE1 2.88Å; A119-E123 PolarHBondContact O-N 2.86Å; I120-E123 PolarHBondContact O-N 3.48Å; I120-E123 VanDerWaalsContact O-N 3.15Å |
| 124 | K | 96.8 | Very high | 97 | Very high | 73 Ų | 73 | 58.1 Ų | 58.1 | 32% | 0.317 | 27% | 0.267 | S | S | . | . | trans | -81.6 | 139.9 | -177.4 | -61.4 | -64.9 | -174.4 | 179.3 | 0 | 111.1 | Y118 A119 K122 Y126 R127 | Y118-K124 HydrophobicContact CE1-CG 4.2Å; A119-K124 HydrophobicContact CB-CB 4.08Å; A119-K124 HydrophobicContact CB-CG 4.48Å; A119-K124 PolarHBondContact O-N 3.2Å; K122-K124 VanDerWaalsContact C-N 3.3Å; K122-K124 HydrophobicContact CB-CD 4.32Å; K122-K124 HydrophobicContact CB-CG 4.02Å; K122-K124 PolarHBondContact O-N 3.38Å; K124-Y126 HydrophobicContact CB-CD1 4.06Å; K124-Y126 HydrophobicContact CB-CD2 4.38Å; K124-Y126 HydrophobicContact CB-CE1 3.69Å; K124-Y126 HydrophobicContact CB-CE2 4.04Å; K124-Y126 HydrophobicContact CB-CG 4.39Å; K124-Y126 HydrophobicContact CD-CE1 4.21Å; K124-Y126 HydrophobicContact CG-CE1 4.03Å; K124-Y126 HydrophobicContact CG-CE2 4.46Å; K124-Y126 PolarHBondContact O-N 2.76Å; K124-R127 WeakPolarHBondContact O-CB 3.27Å; K124-R127 PolarHBondContact O-N 2.88Å; K124-R127 VanDerWaalsContact O-N 3.08Å | ||
| 125 | H | 93.6 | Very high | 97 | Very high | 163 Ų | 163 | 53.9 Ų | 53.9 | 76% | 0.755 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -30.5 | -179.1 | 64.1 | -91.3 | 0 | 0 | 0 | 113.4 | R127 | H125-R127 VanDerWaalsContact C-N 3.27Å; H125-R127 PolarHBondContact O-N 3.13Å |
| 126 | Y | 95.6 | Very high | 97 | Very high | 81 Ų | 81 | 51.7 Ų | 51.7 | 32% | 0.318 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 5.9 | 179.6 | 58.4 | -101.8 | 0 | 0 | 0 | 113.9 | A119 K124 H128 F129 L130 | A119-Y126 HydrophobicContact CB-CD2 4.22Å; A119-Y126 HydrophobicContact CB-CE2 3.81Å; K124-Y126 HydrophobicContact CB-CD1 4.06Å; K124-Y126 HydrophobicContact CB-CD2 4.38Å; K124-Y126 HydrophobicContact CB-CE1 3.69Å; K124-Y126 HydrophobicContact CB-CE2 4.04Å; K124-Y126 HydrophobicContact CB-CG 4.39Å; K124-Y126 HydrophobicContact CD-CE1 4.21Å; K124-Y126 HydrophobicContact CG-CE1 4.03Å; K124-Y126 HydrophobicContact CG-CE2 4.46Å; K124-Y126 PolarHBondContact O-N 2.76Å; Y126-H128 VanDerWaalsContact C-N 3.3Å; Y126-H128 PolarHBondContact O-N 2.98Å; Y126-F129 WeakPolarHBondContact O-CB 3.35Å; Y126-F129 PolarHBondContact O-N 3.27Å; Y126-L130 HydrophobicContact CD2-CD1 3.58Å; Y126-L130 HydrophobicContact CD2-CG 4Å; Y126-L130 HydrophobicContact CE2-CD1 3.66Å; Y126-L130 PolarHBondContact O-N 2.97Å; Y126-L130 VanDerWaalsContact O-N 3.12Å |
| 127 | R | 96.4 | Very high | 96.9 | Very high | 28 Ų | 28 | 53 Ų | 53 | 11% | 0.106 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -55.4 | -43.6 | -178.7 | 79.6 | 176.4 | -164.2 | 133.4 | -9.2 | 112.5 | D40 L116 A119 K124 H125 F129 L130 Q131 | D40-R127 IonicContact OD1-CZ 3.73Å; D40-R127 IonicContact OD1-NH1 2.73Å; D40-R127 PolarHBondContact OD1-NH1 3.08Å; D40-R127 IonicContact OD1-NH2 3.83Å; L116-R127 HydrophobicContact CD1-CB 4.37Å; L116-R127 WeakPolarHBondContact CD1-O 3.41Å; A119-R127 HydrophobicContact CB-CB 3.87Å; K124-R127 WeakPolarHBondContact O-CB 3.27Å; K124-R127 PolarHBondContact O-N 2.88Å; K124-R127 VanDerWaalsContact O-N 3.08Å; H125-R127 VanDerWaalsContact C-N 3.27Å; H125-R127 PolarHBondContact O-N 3.13Å; R127-F129 VanDerWaalsContact C-N 3.33Å; R127-F129 PolarHBondContact O-N 3.26Å; R127-L130 PolarHBondContact O-N 3.25Å; R127-Q131 WeakPolarHBondContact O-CB 3.46Å; R127-Q131 PolarHBondContact O-N 2.9Å |
| 128 | H | 96.4 | Very high | 96.8 | Very high | 7 Ų | 7 | 52.5 Ų | 52.5 | 3% | 0.032 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -74.2 | -28.8 | -175.6 | -72.4 | -60.1 | 0 | 0 | 0 | 112.1 | Y126 I132 S187 E190 L191 | Y126-H128 VanDerWaalsContact C-N 3.3Å; Y126-H128 PolarHBondContact O-N 2.98Å; H128-I132 WeakPolarHBondContact O-CB 3.49Å; H128-I132 WeakPolarHBondContact O-CD1 3.34Å; H128-I132 WeakPolarHBondContact O-CG1 3.23Å; H128-I132 PolarHBondContact O-N 3.3Å; H128-S187 PolarHBondContact ND1-OG 3.18Å; H128-E190 WeakPolarHBondContact NE2-CB 3.26Å; H128-L191 HydrophobicContact CB-CD1 4.45Å; H128-L191 HydrophobicContact CB-CD2 4.14Å; H128-L191 HydrophobicContact CB-CG 4.25Å |
| 129 | F | 97.4 | Very high | 96.8 | Very high | 143 Ų | 143 | 49.8 Ų | 49.8 | 63% | 0.627 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -62.9 | -50 | 170.1 | 173.7 | -103 | 0 | 0 | 0 | 110.3 | Y126 R127 Q131 I132 T133 | Y126-F129 WeakPolarHBondContact O-CB 3.35Å; Y126-F129 PolarHBondContact O-N 3.27Å; R127-F129 VanDerWaalsContact C-N 3.33Å; R127-F129 PolarHBondContact O-N 3.26Å; F129-Q131 PolarHBondContact O-N 3.38Å; F129-I132 PolarHBondContact O-N 2.82Å; F129-T133 PolarHBondContact O-N 3.34Å; F129-T133 PolarHBondContact O-OG1 2.99Å |
| 130 | L | 97.9 | Very high | 96.7 | Very high | 20 Ų | 20 | 56.7 Ų | 56.7 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | 177 | -66.7 | 179.3 | 0 | 0 | 0 | 112.6 | L112 F115 L116 A119 Y126 R127 T133 L134 | L112-L130 HydrophobicContact CD2-CD2 3.94Å; F115-L130 HydrophobicContact CB-CD1 3.97Å; L116-L130 HydrophobicContact CB-CB 4.3Å; L116-L130 HydrophobicContact CD1-CB 4.07Å; A119-L130 HydrophobicContact CB-CD1 4.08Å; Y126-L130 HydrophobicContact CD2-CD1 3.58Å; Y126-L130 HydrophobicContact CD2-CG 4Å; Y126-L130 HydrophobicContact CE2-CD1 3.66Å; Y126-L130 PolarHBondContact O-N 2.97Å; Y126-L130 VanDerWaalsContact O-N 3.12Å; R127-L130 PolarHBondContact O-N 3.25Å; L130-T133 PolarHBondContact O-N 2.95Å; L130-L134 WeakPolarHBondContact O-CB 3.47Å; L130-L134 PolarHBondContact O-N 3.29Å |
| 131 | Q | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.8 | -44 | 177.8 | -172.2 | 166 | -42.7 | 0 | 0 | 112.3 | L116 R127 F129 C135 L183 Q186 S187 | L116-Q131 HydrophobicContact CD1-CB 3.9Å; L116-Q131 HydrophobicContact CD2-CB 3.77Å; L116-Q131 HydrophobicContact CD2-CG 4.06Å; R127-Q131 WeakPolarHBondContact O-CB 3.46Å; R127-Q131 PolarHBondContact O-N 2.9Å; F129-Q131 PolarHBondContact O-N 3.38Å; Q131-C135 WeakPolarHBondContact O-CB 3.28Å; Q131-C135 PolarHBondContact O-N 3.27Å; Q131-C135 PolarHBondContact O-SG 3.06Å; Q131-L183 HydrophobicContact CG-CB 4.16Å; Q131-L183 PolarHBondContact NE2-O 3.47Å; Q131-Q186 VanDerWaalsContact NE2-OE1 3.13Å; Q131-S187 VanDerWaalsContact CD-OG 3.26Å; Q131-S187 PolarHBondContact NE2-OG 3.16Å |
| 132 | I | 98.2 | Very high | 96.5 | Very high | 56 Ų | 56 | 56.2 Ų | 56.2 | 29% | 0.287 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 176.8 | -69 | 165 | 0 | 0 | 0 | 110.7 | H128 F129 C135 V136 L184 L191 | H128-I132 WeakPolarHBondContact O-CB 3.49Å; H128-I132 WeakPolarHBondContact O-CD1 3.34Å; H128-I132 WeakPolarHBondContact O-CG1 3.23Å; H128-I132 PolarHBondContact O-N 3.3Å; F129-I132 PolarHBondContact O-N 2.82Å; I132-C135 PolarHBondContact O-N 3.49Å; I132-V136 HydrophobicContact CG2-CG2 4.34Å; I132-V136 WeakPolarHBondContact O-CB 3.48Å; I132-V136 VanDerWaalsContact O-CG2 3.28Å; I132-V136 WeakPolarHBondContact O-CG2 3.35Å; I132-V136 PolarHBondContact O-N 2.72Å; I132-L184 HydrophobicContact CB-CD2 4.11Å; I132-L184 HydrophobicContact CG1-CD2 3.96Å; I132-L184 HydrophobicContact CG2-CD2 3.99Å; I132-L191 HydrophobicContact CD1-CD1 3.71Å |
| 133 | T | 98 | Very high | 96.4 | Very high | 45 Ų | 45 | 57.7 Ų | 57.7 | 28% | 0.276 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.6 | -50.9 | 179.2 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | L112 F129 L130 C135 V136 C137 | L112-T133 HydrophobicContact CD1-CG2 3.87Å; F129-T133 PolarHBondContact O-N 3.34Å; F129-T133 PolarHBondContact O-OG1 2.99Å; L130-T133 PolarHBondContact O-N 2.95Å; T133-C135 PolarHBondContact O-N 3.47Å; T133-V136 PolarHBondContact O-N 3.3Å; T133-C137 PolarHBondContact O-N 2.87Å; T133-C137 PolarHBondContact O-SG 2.91Å; T133-C137 VanDerWaalsContact O-SG 3.34Å |
| 134 | L | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.3 | -52.5 | 177.7 | 176.5 | 63.7 | 0 | 0 | 0 | 111.1 | L47 D109 L112 A113 L116 L130 V136 C137 E138 | L47-L134 HydrophobicContact CD2-CD2 3.46Å; L47-L134 VanDerWaalsContact CD2-CD2 3.46Å; D109-L134 HydrophobicContact CB-CD1 3.67Å; D109-L134 WeakPolarHBondContact O-CD1 3.31Å; L112-L134 HydrophobicContact CB-CB 4.28Å; L112-L134 HydrophobicContact CB-CD1 4Å; A113-L134 HydrophobicContact CB-CD2 4.1Å; L116-L134 HydrophobicContact CD2-CD2 3.93Å; L130-L134 WeakPolarHBondContact O-CB 3.47Å; L130-L134 PolarHBondContact O-N 3.29Å; L134-V136 VanDerWaalsContact C-N 3.29Å; L134-V136 PolarHBondContact O-N 3.4Å; L134-C137 WeakPolarHBondContact O-CB 3.35Å; L134-C137 PolarHBondContact O-N 2.91Å; L134-E138 HydrophobicContact CD1-CG 4.15Å; L134-E138 HydrophobicContact CG-CG 4.33Å; L134-E138 WeakPolarHBondContact O-CG 3.43Å; L134-E138 PolarHBondContact O-N 3.36Å |
| 135 | C | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.4 | -32.1 | -177.3 | -66.5 | 0 | 0 | 0 | 0 | 113.7 | Q131 I132 T133 E138 L139 P180 L184 | Q131-C135 WeakPolarHBondContact O-CB 3.28Å; Q131-C135 PolarHBondContact O-N 3.27Å; Q131-C135 PolarHBondContact O-SG 3.06Å; I132-C135 PolarHBondContact O-N 3.49Å; T133-C135 PolarHBondContact O-N 3.47Å; C135-E138 WeakPolarHBondContact CA-OE2 3.39Å; C135-L139 WeakPolarHBondContact O-CB 3.24Å; C135-L139 WeakPolarHBondContact O-CG 3.33Å; C135-L139 PolarHBondContact O-N 2.88Å; C135-L139 VanDerWaalsContact O-N 3.07Å; C135-P180 HydrophobicContact CB-CB 3.81Å; C135-L184 HydrophobicContact CB-CD1 4Å; C135-L184 HydrophobicContact CB-CD2 3.79Å; C135-L184 HydrophobicContact CB-CG 3.56Å |
| 136 | V | 97.6 | Very high | 96.3 | Very high | 79 Ų | 79 | 46.7 Ų | 46.7 | 48% | 0.479 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68.3 | -41.3 | 173.8 | 169 | 0 | 0 | 0 | 0 | 110.8 | I132 T133 L134 Y140 | I132-V136 HydrophobicContact CG2-CG2 4.34Å; I132-V136 WeakPolarHBondContact O-CB 3.48Å; I132-V136 VanDerWaalsContact O-CG2 3.28Å; I132-V136 WeakPolarHBondContact O-CG2 3.35Å; I132-V136 PolarHBondContact O-N 2.72Å; T133-V136 PolarHBondContact O-N 3.3Å; L134-V136 VanDerWaalsContact C-N 3.29Å; L134-V136 PolarHBondContact O-N 3.4Å; V136-Y140 VanDerWaalsContact O-CB 3.23Å; V136-Y140 WeakPolarHBondContact O-CB 3.26Å; V136-Y140 PolarHBondContact O-N 3.11Å |
| 137 | C | 96.4 | Very high | 96.3 | Very high | 27 Ų | 27 | 45.1 Ų | 45.1 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.7 | -48.4 | 175.8 | -68.4 | 0 | 0 | 0 | 0 | 111.7 | D109 T133 L134 L139 Y140 G141 | D109-C137 WeakPolarHBondContact OD1-CB 3.04Å; D109-C137 WeakPolarHBondContact OD2-CB 3.23Å; T133-C137 PolarHBondContact O-N 2.87Å; T133-C137 PolarHBondContact O-SG 2.91Å; T133-C137 VanDerWaalsContact O-SG 3.34Å; L134-C137 WeakPolarHBondContact O-CB 3.35Å; L134-C137 PolarHBondContact O-N 2.91Å; C137-L139 PolarHBondContact O-N 3.47Å; C137-Y140 PolarHBondContact O-N 3.24Å; C137-G141 PolarHBondContact O-N 3.45Å |
| 138 | E | 96.1 | Very high | 96.1 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.2 | -47.6 | 177.6 | -68.6 | 167.1 | 149 | 0 | 0 | 111.8 | L134 C135 Y140 G141 C142 P180 | L134-E138 HydrophobicContact CD1-CG 4.15Å; L134-E138 HydrophobicContact CG-CG 4.33Å; L134-E138 WeakPolarHBondContact O-CG 3.43Å; L134-E138 PolarHBondContact O-N 3.36Å; C135-E138 WeakPolarHBondContact CA-OE2 3.39Å; E138-Y140 VanDerWaalsContact C-N 3.35Å; E138-Y140 PolarHBondContact O-N 3.37Å; E138-G141 PolarHBondContact O-N 3.06Å; E138-C142 PolarHBondContact O-N 2.98Å; E138-C142 PolarHBondContact O-SG 3.4Å; E138-P180 HydrophobicContact CB-CG 4.16Å; E138-P180 WeakPolarHBondContact OE2-CB 3.41Å; E138-P180 WeakPolarHBondContact OE2-CG 3.49Å |
| 139 | L | 96.9 | Very high | 95.9 | Very high | 50 Ų | 50 | 45.5 Ų | 45.5 | 26% | 0.262 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.6 | -38.6 | 179 | -72 | 175.3 | 0 | 0 | 0 | 112.2 | C135 C137 W143 V177 P180 L184 | C135-L139 WeakPolarHBondContact O-CB 3.24Å; C135-L139 WeakPolarHBondContact O-CG 3.33Å; C135-L139 PolarHBondContact O-N 2.88Å; C135-L139 VanDerWaalsContact O-N 3.07Å; C137-L139 PolarHBondContact O-N 3.47Å; L139-W143 WeakPolarHBondContact O-CB 3.48Å; L139-W143 PolarHBondContact O-N 2.92Å; L139-V177 HydrophobicContact CD2-CB 4.21Å; L139-V177 HydrophobicContact CD2-CG1 3.92Å; L139-V177 HydrophobicContact CD2-CG2 4.4Å; L139-P180 HydrophobicContact CD2-CB 4.31Å; L139-P180 HydrophobicContact CG-CB 4.13Å; L139-L184 HydrophobicContact CD1-CD1 3.6Å |
| 140 | Y | 96.4 | Very high | 95.7 | Very high | 146 Ų | 146 | 47 Ų | 47 | 57% | 0.573 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -68.5 | -40.5 | 175.6 | -177.8 | -98.3 | 0 | 0 | 0 | 111.6 | V136 C137 E138 W143 M144 | V136-Y140 VanDerWaalsContact O-CB 3.23Å; V136-Y140 WeakPolarHBondContact O-CB 3.26Å; V136-Y140 PolarHBondContact O-N 3.11Å; C137-Y140 PolarHBondContact O-N 3.24Å; E138-Y140 VanDerWaalsContact C-N 3.35Å; E138-Y140 PolarHBondContact O-N 3.37Å; Y140-W143 WeakPolarHBondContact O-CB 3.3Å; Y140-W143 PolarHBondContact O-N 2.77Å; Y140-M144 HydrophobicContact CD1-CG 4.01Å; Y140-M144 HydrophobicContact CE1-CG 3.53Å; Y140-M144 HydrophobicContact CE1-SD 4.36Å; Y140-M144 HydrophobicContact CE2-CG 4.16Å; Y140-M144 HydrophobicContact CE2-SD 4.28Å; Y140-M144 WeakPolarHBondContact O-CG 3.21Å; Y140-M144 PolarHBondContact O-N 2.85Å |
| 141 | G | 95.3 | Very high | 95.5 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 9% | 0.093 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.6 | -51.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | C137 E138 W143 M144 T145 | C137-G141 PolarHBondContact O-N 3.45Å; E138-G141 PolarHBondContact O-N 3.06Å; G141-W143 VanDerWaalsContact C-N 3.27Å; G141-W143 PolarHBondContact O-N 3.38Å; G141-M144 PolarHBondContact O-N 2.96Å; G141-M144 VanDerWaalsContact O-N 3.07Å; G141-T145 PolarHBondContact O-N 3.12Å; G141-T145 PolarHBondContact O-OG1 3.25Å |
| 142 | C | 94 | Very high | 95.2 | Very high | 19 Ų | 19 | 55.8 Ų | 55.8 | 13% | 0.128 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.6 | -44.2 | 174.5 | -68.9 | 0 | 0 | 0 | 0 | 112 | E138 T145 F146 V177 | E138-C142 PolarHBondContact O-N 2.98Å; E138-C142 PolarHBondContact O-SG 3.4Å; C142-T145 PolarHBondContact O-N 3.07Å; C142-F146 WeakPolarHBondContact O-CD2 3.11Å; C142-F146 PolarHBondContact O-N 3.42Å; C142-V177 HydrophobicContact CB-CG2 4.12Å |
| 143 | W | 94.5 | Very high | 95 | Very high | 153 Ų | 153 | 64.2 Ų | 64.2 | 58% | 0.58 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61.6 | -44.9 | 177.2 | -174.2 | -95.8 | 0 | 0 | 0 | 112 | L139 Y140 G141 T145 F146 L147 | L139-W143 WeakPolarHBondContact O-CB 3.48Å; L139-W143 PolarHBondContact O-N 2.92Å; Y140-W143 WeakPolarHBondContact O-CB 3.3Å; Y140-W143 PolarHBondContact O-N 2.77Å; G141-W143 VanDerWaalsContact C-N 3.27Å; G141-W143 PolarHBondContact O-N 3.38Å; W143-T145 VanDerWaalsContact C-N 3.31Å; W143-T145 PolarHBondContact O-N 3.35Å; W143-F146 PolarHBondContact O-N 2.99Å; W143-L147 HydrophobicContact CD2-CB 4.4Å; W143-L147 HydrophobicContact CG-CB 4.49Å; W143-L147 HydrophobicContact CH2-CD1 4.41Å; W143-L147 HydrophobicContact CZ2-CB 4.49Å; W143-L147 HydrophobicContact CZ2-CD1 3.85Å; W143-L147 HydrophobicContact CZ2-CD2 3.78Å; W143-L147 HydrophobicContact CZ2-CG 4.23Å; W143-L147 WeakPolarHBondContact O-CB 3.43Å; W143-L147 PolarHBondContact O-N 2.8Å |
| 144 | M | 95.2 | Very high | 94.7 | Very high | 51 Ų | 51 | 63.6 Ų | 63.6 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -70.5 | -24.3 | 179.2 | -69.7 | -55.5 | -60.3 | 0 | 0 | 113.6 | V101 Y140 G141 P148 | V101-M144 HydrophobicContact CG2-CB 3.77Å; Y140-M144 HydrophobicContact CD1-CG 4.01Å; Y140-M144 HydrophobicContact CE1-CG 3.53Å; Y140-M144 HydrophobicContact CE1-SD 4.36Å; Y140-M144 HydrophobicContact CE2-CG 4.16Å; Y140-M144 HydrophobicContact CE2-SD 4.28Å; Y140-M144 WeakPolarHBondContact O-CG 3.21Å; Y140-M144 PolarHBondContact O-N 2.85Å; G141-M144 PolarHBondContact O-N 2.96Å; G141-M144 VanDerWaalsContact O-N 3.07Å; M144-P148 HydrophobicContact CE-CG 4.3Å; M144-P148 WeakPolarHBondContact O-CD 3.25Å; M144-P148 VanDerWaalsContact O-CG 3.23Å; M144-P148 WeakPolarHBondContact O-CG 3.09Å |
| 145 | T | 93.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 68 Ų | 68 | 4% | 0.037 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.8 | -39.7 | 173.7 | -66.2 | 0 | 0 | 0 | 0 | 112.1 | R90 I98 G141 C142 W143 | R90-T145 PolarHBondContact NH1-O 3.27Å; R90-T145 PolarHBondContact NH2-O 3.24Å; I98-T145 HydrophobicContact CD1-CG2 3.82Å; G141-T145 PolarHBondContact O-N 3.12Å; G141-T145 PolarHBondContact O-OG1 3.25Å; C142-T145 PolarHBondContact O-N 3.07Å; W143-T145 VanDerWaalsContact C-N 3.31Å; W143-T145 PolarHBondContact O-N 3.35Å |
| 146 | F | 93.1 | Very high | 94.3 | Very high | 53 Ų | 53 | 70.9 Ų | 70.9 | 23% | 0.232 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -104.8 | -34.1 | -172.3 | -68.6 | -68 | 0 | 0 | 0 | 115.2 | C142 W143 E149 W150 L157 L169 N173 | C142-F146 WeakPolarHBondContact O-CD2 3.11Å; C142-F146 PolarHBondContact O-N 3.42Å; W143-F146 PolarHBondContact O-N 2.99Å; F146-E149 PolarHBondContact O-N 2.99Å; F146-W150 WeakPolarHBondContact O-CB 3.23Å; F146-W150 PolarHBondContact O-N 3.23Å; F146-L157 HydrophobicContact CD1-CD1 4.39Å; F146-L169 HydrophobicContact CE1-CD2 4.27Å; F146-N173 HydrophobicContact CE2-CB 3.6Å; F146-N173 VanDerWaalsContact CE2-CG 3.43Å; F146-N173 VanDerWaalsContact CE2-OD1 3.31Å; F146-N173 WeakPolarHBondContact CE2-OD1 3.33Å; F146-N173 HydrophobicContact CZ-CB 3.87Å; F146-N173 WeakPolarHBondContact CZ-OD1 3.36Å |
| 147 | L | 93.9 | Very high | 94.1 | Very high | 48 Ų | 48 | 68.3 Ų | 68.3 | 25% | 0.251 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.3 | -49 | -176.2 | -177.5 | 74.3 | 0 | 0 | 0 | 112.4 | W143 E149 W150 L151 | W143-L147 HydrophobicContact CD2-CB 4.4Å; W143-L147 HydrophobicContact CG-CB 4.49Å; W143-L147 HydrophobicContact CH2-CD1 4.41Å; W143-L147 HydrophobicContact CZ2-CB 4.49Å; W143-L147 HydrophobicContact CZ2-CD1 3.85Å; W143-L147 HydrophobicContact CZ2-CD2 3.78Å; W143-L147 HydrophobicContact CZ2-CG 4.23Å; W143-L147 WeakPolarHBondContact O-CB 3.43Å; W143-L147 PolarHBondContact O-N 2.8Å; L147-E149 PolarHBondContact O-N 3.5Å; L147-W150 HydrophobicContact CD1-CE3 3.76Å; L147-W150 HydrophobicContact CD1-CZ3 4.2Å; L147-W150 PolarHBondContact O-N 3.12Å; L147-W150 VanDerWaalsContact O-N 3.15Å; L147-L151 HydrophobicContact CD1-CG 4.42Å; L147-L151 HydrophobicContact CD2-CD1 4.4Å; L147-L151 HydrophobicContact CG-CD1 4.11Å; L147-L151 HydrophobicContact CG-CG 4.31Å; L147-L151 VanDerWaalsContact O-CG 3.31Å; L147-L151 WeakPolarHBondContact O-CG 3.46Å; L147-L151 PolarHBondContact O-N 3.45Å |
| 148 | P | 93.8 | Very high | 93.9 | Very high | 36 Ų | 36 | 69.8 Ų | 69.8 | 23% | 0.234 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.1 | -40.1 | 178.4 | -25.3 | 37.3 | 0 | 0 | 0 | 112.2 | T97 M144 L151 T152 | T97-P148 HydrophobicContact CG2-CG 4.24Å; M144-P148 HydrophobicContact CE-CG 4.3Å; M144-P148 WeakPolarHBondContact O-CD 3.25Å; M144-P148 VanDerWaalsContact O-CG 3.23Å; M144-P148 WeakPolarHBondContact O-CG 3.09Å; P148-L151 PolarHBondContact O-N 3.2Å; P148-T152 WeakPolarHBondContact O-CG2 3.43Å; P148-T152 PolarHBondContact O-N 2.86Å; P148-T152 VanDerWaalsContact O-N 3.16Å; P148-T152 PolarHBondContact O-OG1 3.22Å |
| 149 | E | 92.2 | Very high | 93.6 | Very high | 6 Ų | 6 | 73.5 Ų | 73.5 | 3% | 0.028 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 177.5 | -169.3 | 57.2 | -155.7 | 0 | 0 | 111.6 | R90 F146 L147 T152 R153 S154 P155 N156 L157 | R90-E149 IonicContact CZ-OE2 3.44Å; R90-E149 IonicContact NE-OE2 3.32Å; R90-E149 IonicContact NH1-OE2 3.37Å; F146-E149 PolarHBondContact O-N 2.99Å; L147-E149 PolarHBondContact O-N 3.5Å; E149-T152 PolarHBondContact O-N 3.13Å; E149-T152 PolarHBondContact O-OG1 3Å; E149-R153 PolarHBondContact O-N 3.45Å; E149-S154 WeakPolarHBondContact O-CA 3.13Å; E149-S154 PolarHBondContact O-N 2.61Å; E149-S154 PolarHBondContact O-OG 3.42Å; E149-S154 WeakPolarHBondContact OE1-CA 3.3Å; E149-P155 WeakPolarHBondContact OE1-CD 3.44Å; E149-N156 WeakPolarHBondContact OE1-CA 3.46Å; E149-N156 VanDerWaalsContact OE1-CB 3.31Å; E149-N156 WeakPolarHBondContact OE1-CB 3.23Å; E149-N156 PolarHBondContact OE1-N 3.07Å; E149-N156 PolarHBondContact OE1-ND2 3.49Å; E149-N156 PolarHBondContact OE2-ND2 2.69Å; E149-L157 HydrophobicContact CG-CD1 3.7Å; E149-L157 HydrophobicContact CG-CD2 4.08Å; E149-L157 HydrophobicContact CG-CG 3.55Å |
| 150 | W | 92.1 | Very high | 93.3 | Very high | 176 Ų | 176 | 76.8 Ų | 76.8 | 67% | 0.667 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64.2 | -40.9 | 174.5 | 179.7 | 70.7 | 0 | 0 | 0 | 112.1 | F146 L147 T152 R153 | F146-W150 WeakPolarHBondContact O-CB 3.23Å; F146-W150 PolarHBondContact O-N 3.23Å; L147-W150 HydrophobicContact CD1-CE3 3.76Å; L147-W150 HydrophobicContact CD1-CZ3 4.2Å; L147-W150 PolarHBondContact O-N 3.12Å; L147-W150 VanDerWaalsContact O-N 3.15Å; W150-T152 PolarHBondContact O-N 2.97Å; W150-R153 PolarHBondContact O-N 3.38Å |
| 151 | L | 94.1 | Very high | 93 | Very high | 119 Ų | 119 | 72.9 Ų | 72.9 | 62% | 0.623 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.7 | -30.3 | 177.2 | -69.9 | 173.6 | 0 | 0 | 0 | 112.8 | L147 P148 R153 | L147-L151 HydrophobicContact CD1-CG 4.42Å; L147-L151 HydrophobicContact CD2-CD1 4.4Å; L147-L151 HydrophobicContact CG-CD1 4.11Å; L147-L151 HydrophobicContact CG-CG 4.31Å; L147-L151 VanDerWaalsContact O-CG 3.31Å; L147-L151 WeakPolarHBondContact O-CG 3.46Å; L147-L151 PolarHBondContact O-N 3.45Å; P148-L151 PolarHBondContact O-N 3.2Å; L151-R153 VanDerWaalsContact C-N 3.31Å |
| 152 | T | 93.1 | Very high | 92.9 | Very high | 84 Ų | 84 | 80.3 Ų | 80.3 | 52% | 0.515 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 7.8 | 176.6 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | P148 E149 W150 S154 P155 | P148-T152 WeakPolarHBondContact O-CG2 3.43Å; P148-T152 PolarHBondContact O-N 2.86Å; P148-T152 VanDerWaalsContact O-N 3.16Å; P148-T152 PolarHBondContact O-OG1 3.22Å; E149-T152 PolarHBondContact O-N 3.13Å; E149-T152 PolarHBondContact O-OG1 3Å; W150-T152 PolarHBondContact O-N 2.97Å; T152-S154 VanDerWaalsContact C-N 3.33Å; T152-P155 WeakPolarHBondContact OG1-CD 3.29Å |
| 153 | R | 92.6 | Very high | 92.7 | Very high | 233 Ų | 233 | 81.5 Ų | 81.5 | 88% | 0.879 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 28.2 | -175.8 | -50.5 | 179.8 | -178.8 | 139.4 | -0.2 | 114.5 | E149 W150 L151 | E149-R153 PolarHBondContact O-N 3.45Å; W150-R153 PolarHBondContact O-N 3.38Å; L151-R153 VanDerWaalsContact C-N 3.31Å |
| 154 | S | 92 | Very high | 92.5 | Very high | 32 Ų | 32 | 76.1 Ų | 76.1 | 22% | 0.224 | 38% | 0.382 | C | S | . | . | trans | 56.2 | 50 | 170 | -52 | 0 | 0 | 0 | 0 | 115.4 | E149 T152 N156 L157 | E149-S154 WeakPolarHBondContact O-CA 3.13Å; E149-S154 PolarHBondContact O-N 2.61Å; E149-S154 PolarHBondContact O-OG 3.42Å; E149-S154 WeakPolarHBondContact OE1-CA 3.3Å; T152-S154 VanDerWaalsContact C-N 3.33Å; S154-N156 PolarHBondContact O-N 3.48Å; S154-L157 PolarHBondContact O-N 3.35Å | ||
| 155 | P | 93.4 | Very high | 92.3 | Very high | 93 Ų | 93 | 75.1 Ų | 75.1 | 60% | 0.604 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -24.8 | -177.5 | 28.2 | -36.8 | 0 | 0 | 0 | 114.2 | E149 T152 | E149-P155 WeakPolarHBondContact OE1-CD 3.44Å; T152-P155 WeakPolarHBondContact OG1-CD 3.29Å |
| 156 | N | 93.6 | Very high | 92.3 | Very high | 60 Ų | 60 | 81 Ų | 81 | 32% | 0.321 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -15.3 | -177.2 | -58 | -69.2 | 0 | 0 | 0 | 113.3 | A89 R90 E149 S154 | A89-N156 HydrophobicContact CB-CB 4.42Å; A89-N156 PolarHBondContact N-O 2.88Å; R90-N156 HydrophobicContact CG-CB 3.76Å; E149-N156 WeakPolarHBondContact OE1-CA 3.46Å; E149-N156 VanDerWaalsContact OE1-CB 3.31Å; E149-N156 WeakPolarHBondContact OE1-CB 3.23Å; E149-N156 PolarHBondContact OE1-N 3.07Å; E149-N156 PolarHBondContact OE1-ND2 3.49Å; E149-N156 PolarHBondContact OE2-ND2 2.69Å; S154-N156 PolarHBondContact O-N 3.48Å |
| 157 | L | 93.5 | Very high | 92.2 | Very high | 25 Ų | 25 | 80.5 Ų | 80.5 | 13% | 0.131 | 40% | 0.403 | C | S | . | . | B | Isolated β-bridge | trans | -89.1 | 124.8 | -176.3 | -55.8 | -174.7 | 0 | 0 | 0 | 111.7 | A87 D88 F146 E149 S154 T159 L169 | A87-L157 WeakPolarHBondContact O-CA 3.34Å; D88-L157 HydrophobicContact CB-CD2 3.68Å; D88-L157 WeakPolarHBondContact OD2-CD2 3.33Å; F146-L157 HydrophobicContact CD1-CD1 4.39Å; E149-L157 HydrophobicContact CG-CD1 3.7Å; E149-L157 HydrophobicContact CG-CD2 4.08Å; E149-L157 HydrophobicContact CG-CG 3.55Å; S154-L157 PolarHBondContact O-N 3.35Å; L157-T159 HydrophobicContact CB-CG2 4.31Å; L157-T159 PolarHBondContact O-N 3.4Å; L157-L169 HydrophobicContact CB-CD1 4.25Å; L157-L169 HydrophobicContact CD2-CD1 4.46Å; L157-L169 HydrophobicContact CD2-CD2 4.17Å |
| 158 | N | 92.4 | Very high | 92 | Very high | 59 Ų | 59 | 79 Ų | 79 | 32% | 0.316 | 39% | 0.394 | S | S | . | . | trans | -87.6 | 89 | 172.5 | -170.8 | -10 | 0 | 0 | 0 | 111.1 | K86 A87 S160 Y164 | K86-N158 VanDerWaalsContact O-CB 3.24Å; K86-N158 WeakPolarHBondContact O-CB 3.47Å; K86-N158 PolarHBondContact O-ND2 2.89Å; A87-N158 PolarHBondContact O-N 3.47Å; N158-S160 PolarHBondContact OD1-N 3.28Å; N158-Y164 HydrophobicContact CB-CD2 4.32Å | ||
| 159 | T | 89.9 | Confident | 92 | Very high | 85 Ų | 85 | 78 Ų | 78 | 52% | 0.521 | 39% | 0.387 | S | S | . | . | trans | -89.8 | -4.1 | 177.9 | 55.9 | 0 | 0 | 0 | 0 | 113.9 | L157 | L157-T159 HydrophobicContact CB-CG2 4.31Å; L157-T159 PolarHBondContact O-N 3.4Å | ||
| 160 | S | 89.9 | Confident | 92 | Very high | 119 Ų | 119 | 84.3 Ų | 84.3 | 83% | 0.832 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -77.1 | -27.8 | -177.2 | -62.8 | 0 | 0 | 0 | 0 | 112.8 | N158 | N158-S160 PolarHBondContact OD1-N 3.28Š|
| 161 | N | 91.1 | Very high | 92 | Very high | 65 Ų | 65 | 81.4 Ų | 81.4 | 35% | 0.348 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -91.1 | 128.4 | 176.8 | -174.1 | -57.3 | 0 | 0 | 0 | 110.4 | L163 Y164 C165 | N161-L163 PolarHBondContact O-N 3.43Å; N161-L163 VanDerWaalsContact OD1-CB 3.32Å; N161-L163 WeakPolarHBondContact OD1-CB 3.4Å; N161-L163 PolarHBondContact OD1-N 3.44Å; N161-Y164 HydrophobicContact CB-CD2 3.42Å; N161-Y164 VanDerWaalsContact CB-CD2 3.42Å; N161-Y164 HydrophobicContact CB-CE2 3.95Å; N161-Y164 HydrophobicContact CB-CG 3.92Å; N161-Y164 PolarHBondContact O-N 2.85Å; N161-Y164 PolarHBondContact OD1-N 3.1Å; N161-C165 WeakPolarHBondContact O-CB 3.39Å; N161-C165 PolarHBondContact O-N 3.12Å |
| 162 | W | 92.3 | Very high | 91.9 | Very high | 164 Ų | 164 | 78.8 Ų | 78.8 | 62% | 0.621 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.1 | -42.8 | -178.6 | -177.2 | 92.5 | 0 | 0 | 0 | 113.2 | W166 V167 | W162-W166 AromaticContact CD1-CD1 3.34Å; W162-W166 AromaticContact CD1-NE1 3.86Å; W162-W166 AromaticContact CE2-CD1 3.9Å; W162-W166 AromaticContact CG-CD1 3.86Å; W162-W166 HydrophobicContact CZ2-CB 4.35Å; W162-W166 AromaticContact NE1-CD1 3.34Å; W162-W166 VanDerWaalsContact NE1-CD1 3.34Å; W162-W166 AromaticContact NE1-NE1 3.93Å; W162-W166 WeakPolarHBondContact O-CB 3.34Å; W162-W166 PolarHBondContact O-N 3.26Å; W162-V167 HydrophobicContact CH2-CG2 4.25Å; W162-V167 HydrophobicContact CZ3-CG2 3.95Å |
| 163 | L | 90.1 | Very high | 91.9 | Very high | 45 Ų | 45 | 76.1 Ų | 76.1 | 24% | 0.236 | 37% | 0.373 | C | S | . | . | I | π-helix | trans | -63.5 | -46.7 | -179.6 | 178.7 | 68.4 | 0 | 0 | 0 | 110.6 | N161 V167 Y168 | N161-L163 PolarHBondContact O-N 3.43Å; N161-L163 VanDerWaalsContact OD1-CB 3.32Å; N161-L163 WeakPolarHBondContact OD1-CB 3.4Å; N161-L163 PolarHBondContact OD1-N 3.44Å; L163-V167 HydrophobicContact CD1-CB 3.93Å; L163-V167 HydrophobicContact CD1-CG1 4.41Å; L163-V167 HydrophobicContact CD1-CG2 3.82Å; L163-V167 WeakPolarHBondContact O-CA 3.42Å; L163-V167 VanDerWaalsContact O-CB 3.28Å; L163-V167 WeakPolarHBondContact O-CB 3.37Å; L163-V167 PolarHBondContact O-N 3.32Å; L163-Y168 HydrophobicContact CD1-CE1 4.43Å; L163-Y168 HydrophobicContact CD2-CE1 4.48Å; L163-Y168 HydrophobicContact CG-CD1 4.49Å; L163-Y168 HydrophobicContact CG-CE1 4.2Å; L163-Y168 PolarHBondContact O-N 2.94Å; L163-Y168 VanDerWaalsContact O-N 3.14Å |
| 164 | Y | 91.7 | Very high | 92 | Very high | 39 Ų | 39 | 66.4 Ų | 66.4 | 15% | 0.153 | 35% | 0.345 | C | S | . | . | I | π-helix | trans | -66.7 | -44.6 | -179.7 | -57.7 | -22.4 | 0 | 0 | 0 | 111.3 | K86 A87 N158 N161 Y168 L169 | K86-Y164 HydrophobicContact CB-CD2 4.48Å; K86-Y164 HydrophobicContact CB-CE1 4.14Å; K86-Y164 HydrophobicContact CB-CE2 3.92Å; K86-Y164 WeakPolarHBondContact CD-OH 3.29Å; A87-Y164 HydrophobicContact CB-CG 4.2Å; N158-Y164 HydrophobicContact CB-CD2 4.32Å; N161-Y164 HydrophobicContact CB-CD2 3.42Å; N161-Y164 VanDerWaalsContact CB-CD2 3.42Å; N161-Y164 HydrophobicContact CB-CE2 3.95Å; N161-Y164 HydrophobicContact CB-CG 3.92Å; N161-Y164 PolarHBondContact O-N 2.85Å; N161-Y164 PolarHBondContact OD1-N 3.1Å; Y164-Y168 HydrophobicContact CD1-CD2 4.06Å; Y164-Y168 HydrophobicContact CD1-CE2 4.18Å; Y164-Y168 HydrophobicContact CD1-CG 4.42Å; Y164-Y168 HydrophobicContact CE1-CE2 4.32Å; Y164-Y168 WeakPolarHBondContact O-CB 3.34Å; Y164-Y168 PolarHBondContact O-N 3.42Å; Y164-L169 WeakPolarHBondContact O-CG 3.37Å; Y164-L169 PolarHBondContact O-N 3.33Å |
| 165 | C | 90.6 | Very high | 92.1 | Very high | 30 Ų | 30 | 66.6 Ų | 66.6 | 20% | 0.203 | 35% | 0.345 | C | S | . | . | I | π-helix | trans | -65.6 | -52.5 | -179.9 | -174.4 | 0 | 0 | 0 | 0 | 112.6 | N161 L169 F170 | N161-C165 WeakPolarHBondContact O-CB 3.39Å; N161-C165 PolarHBondContact O-N 3.12Å; C165-L169 WeakPolarHBondContact O-CB 3.06Å; C165-F170 WeakPolarHBondContact O-CB 3.33Å; C165-F170 PolarHBondContact O-N 2.88Å |
| 166 | W | 92.1 | Very high | 92.2 | Very high | 130 Ų | 130 | 64.1 Ų | 64.1 | 49% | 0.492 | 32% | 0.323 | S | S | . | . | I | π-helix | trans | -91.6 | -34.6 | -169.1 | -69.4 | 105.2 | 0 | 0 | 0 | 114.1 | W162 F170 F171 | W162-W166 AromaticContact CD1-CD1 3.34Å; W162-W166 AromaticContact CD1-NE1 3.86Å; W162-W166 AromaticContact CE2-CD1 3.9Å; W162-W166 AromaticContact CG-CD1 3.86Å; W162-W166 HydrophobicContact CZ2-CB 4.35Å; W162-W166 AromaticContact NE1-CD1 3.34Å; W162-W166 VanDerWaalsContact NE1-CD1 3.34Å; W162-W166 AromaticContact NE1-NE1 3.93Å; W162-W166 WeakPolarHBondContact O-CB 3.34Å; W162-W166 PolarHBondContact O-N 3.26Å; W166-F170 HydrophobicContact CE3-CB 4.05Å; W166-F170 HydrophobicContact CE3-CD1 4.09Å; W166-F170 AromaticContact CE3-CG 3.97Å; W166-F170 HydrophobicContact CE3-CG 3.97Å; W166-F170 HydrophobicContact CZ3-CD1 4.3Å; W166-F170 HydrophobicContact CZ3-CD2 4.25Å; W166-F170 HydrophobicContact CZ3-CG 4.12Å; W166-F170 WeakPolarHBondContact O-CB 3.28Å; W166-F171 WeakPolarHBondContact O-CB 3.34Å; W166-F171 PolarHBondContact O-N 2.93Å |
| 167 | V | 91.1 | Very high | 92.3 | Very high | 43 Ų | 43 | 64.7 Ų | 64.7 | 26% | 0.261 | 33% | 0.329 | S | S | . | . | I | π-helix | trans | -91.6 | -52 | -179 | -174.2 | 0 | 0 | 0 | 0 | 110.1 | W162 L163 F171 F172 | W162-V167 HydrophobicContact CH2-CG2 4.25Å; W162-V167 HydrophobicContact CZ3-CG2 3.95Å; L163-V167 HydrophobicContact CD1-CB 3.93Å; L163-V167 HydrophobicContact CD1-CG1 4.41Å; L163-V167 HydrophobicContact CD1-CG2 3.82Å; L163-V167 WeakPolarHBondContact O-CA 3.42Å; L163-V167 VanDerWaalsContact O-CB 3.28Å; L163-V167 WeakPolarHBondContact O-CB 3.37Å; L163-V167 PolarHBondContact O-N 3.32Å; V167-F171 WeakPolarHBondContact O-CB 3.28Å; V167-F171 PolarHBondContact O-N 3.4Å; V167-F172 HydrophobicContact CG1-CE2 4.4Å; V167-F172 WeakPolarHBondContact O-CD2 3.46Å; V167-F172 PolarHBondContact O-N 2.99Å |
| 168 | Y | 91.4 | Very high | 92.5 | Very high | 16 Ų | 16 | 68.4 Ų | 68.4 | 6% | 0.063 | 35% | 0.348 | C | S | . | . | I | π-helix | trans | -75.2 | -52.4 | -172.8 | -72.6 | 22.9 | 0 | 0 | 0 | 111.1 | E83 Y84 A87 L163 Y164 F172 N173 | E83-Y168 HydrophobicContact CG-CE2 4.1Å; E83-Y168 PolarHBondContact OE1-OH 2.83Å; Y84-Y168 HydrophobicContact CD2-CD2 4.14Å; Y84-Y168 HydrophobicContact CD2-CG 4.49Å; A87-Y168 HydrophobicContact CB-CD2 3.89Å; A87-Y168 HydrophobicContact CB-CG 4.3Å; L163-Y168 HydrophobicContact CD1-CE1 4.43Å; L163-Y168 HydrophobicContact CD2-CE1 4.48Å; L163-Y168 HydrophobicContact CG-CD1 4.49Å; L163-Y168 HydrophobicContact CG-CE1 4.2Å; L163-Y168 PolarHBondContact O-N 2.94Å; L163-Y168 VanDerWaalsContact O-N 3.14Å; Y164-Y168 HydrophobicContact CD1-CD2 4.06Å; Y164-Y168 HydrophobicContact CD1-CE2 4.18Å; Y164-Y168 HydrophobicContact CD1-CG 4.42Å; Y164-Y168 HydrophobicContact CE1-CE2 4.32Å; Y164-Y168 WeakPolarHBondContact O-CB 3.34Å; Y164-Y168 PolarHBondContact O-N 3.42Å; Y168-F172 HydrophobicContact CD1-CE2 4.21Å; Y168-N173 PolarHBondContact O-ND2 2.92Å |
| 169 | L | 92.9 | Very high | 92.7 | Very high | 16 Ų | 16 | 67.9 Ų | 67.9 | 8% | 0.084 | 35% | 0.345 | C | S | . | . | I | π-helix | trans | -78.7 | -58.4 | -178.7 | -60 | 174 | 0 | 0 | 0 | 111 | A87 D88 F146 L157 Y164 C165 N173 | A87-L169 HydrophobicContact CB-CD2 4.16Å; A87-L169 HydrophobicContact CB-CG 4.15Å; D88-L169 HydrophobicContact CB-CD2 4.24Å; F146-L169 HydrophobicContact CE1-CD2 4.27Å; L157-L169 HydrophobicContact CB-CD1 4.25Å; L157-L169 HydrophobicContact CD2-CD1 4.46Å; L157-L169 HydrophobicContact CD2-CD2 4.17Å; Y164-L169 WeakPolarHBondContact O-CG 3.37Å; Y164-L169 PolarHBondContact O-N 3.33Å; C165-L169 WeakPolarHBondContact O-CB 3.06Å; L169-N173 VanDerWaalsContact O-CB 3.25Å; L169-N173 WeakPolarHBondContact O-CB 3.4Å; L169-N173 PolarHBondContact O-ND2 2.89Å |
| 170 | F | 91.7 | Very high | 93 | Very high | 137 Ų | 137 | 63.8 Ų | 63.8 | 60% | 0.601 | 32% | 0.32 | S | S | * | . | I | π-helix | trans | -73.5 | -50.8 | -171.9 | -172.6 | -93 | 0 | 0 | 0 | 113.9 | C165 W166 G174 | C165-F170 WeakPolarHBondContact O-CB 3.33Å; C165-F170 PolarHBondContact O-N 2.88Å; W166-F170 HydrophobicContact CE3-CB 4.05Å; W166-F170 HydrophobicContact CE3-CD1 4.09Å; W166-F170 AromaticContact CE3-CG 3.97Å; W166-F170 HydrophobicContact CE3-CG 3.97Å; W166-F170 HydrophobicContact CZ3-CD1 4.3Å; W166-F170 HydrophobicContact CZ3-CD2 4.25Å; W166-F170 HydrophobicContact CZ3-CG 4.12Å; W166-F170 WeakPolarHBondContact O-CB 3.28Å; F170-G174 VanDerWaalsContact O-CA 3.24Å; F170-G174 WeakPolarHBondContact O-CA 3.08Å; F170-G174 PolarHBondContact O-N 3.02Å |
| 171 | F | 93.2 | Very high | 93.4 | Very high | 115 Ų | 115 | 59.7 Ų | 59.7 | 50% | 0.504 | 30% | 0.296 | S | S | . | . | I | π-helix | trans | -70.5 | -54.1 | -173.7 | 171 | -98.9 | 0 | 0 | 0 | 113 | W166 V167 N173 G174 V175 | W166-F171 WeakPolarHBondContact O-CB 3.34Å; W166-F171 PolarHBondContact O-N 2.93Å; V167-F171 WeakPolarHBondContact O-CB 3.28Å; V167-F171 PolarHBondContact O-N 3.4Å; F171-N173 PolarHBondContact O-N 3.07Å; F171-G174 PolarHBondContact O-N 2.82Å; F171-V175 HydrophobicContact CE2-CG2 4.19Å; F171-V175 HydrophobicContact CZ-CG2 4.29Å; F171-V175 WeakPolarHBondContact O-CG2 3.45Å; F171-V175 PolarHBondContact O-N 2.82Å; F171-V175 VanDerWaalsContact O-N 3.09Å |
| 172 | F | 91.4 | Very high | 93.7 | Very high | 64 Ų | 64 | 61.2 Ų | 61.2 | 28% | 0.281 | 30% | 0.304 | S | S | . | . | I | π-helix | trans | -61.9 | -48.2 | -177.9 | -70.9 | -52.1 | 0 | 0 | 0 | 111.5 | V167 Y168 G174 V175 W176 | V167-F172 HydrophobicContact CG1-CE2 4.4Å; V167-F172 WeakPolarHBondContact O-CD2 3.46Å; V167-F172 PolarHBondContact O-N 2.99Å; Y168-F172 HydrophobicContact CD1-CE2 4.21Å; F172-G174 VanDerWaalsContact C-N 3.33Å; F172-G174 PolarHBondContact O-N 3.22Å; F172-V175 PolarHBondContact O-N 3.05Å; F172-W176 WeakPolarHBondContact O-CZ3 3.44Å |
| 173 | N | 93.6 | Very high | 94 | Very high | 28 Ų | 28 | 54 Ų | 54 | 15% | 0.15 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.3 | -31.5 | 177.9 | -58.9 | -89.9 | 0 | 0 | 0 | 112.5 | Y84 F146 Y168 L169 F171 V175 W176 V177 | Y84-N173 PolarHBondContact OH-ND2 2.93Å; F146-N173 HydrophobicContact CE2-CB 3.6Å; F146-N173 VanDerWaalsContact CE2-CG 3.43Å; F146-N173 VanDerWaalsContact CE2-OD1 3.31Å; F146-N173 WeakPolarHBondContact CE2-OD1 3.33Å; F146-N173 HydrophobicContact CZ-CB 3.87Å; F146-N173 WeakPolarHBondContact CZ-OD1 3.36Å; Y168-N173 PolarHBondContact O-ND2 2.92Å; L169-N173 VanDerWaalsContact O-CB 3.25Å; L169-N173 WeakPolarHBondContact O-CB 3.4Å; L169-N173 PolarHBondContact O-ND2 2.89Å; F171-N173 PolarHBondContact O-N 3.07Å; N173-V175 VanDerWaalsContact C-N 3.27Å; N173-V175 PolarHBondContact O-N 2.86Å; N173-W176 PolarHBondContact O-N 3.25Å; N173-W176 VanDerWaalsContact O-N 3.09Å; N173-V177 PolarHBondContact O-N 2.8Å |
| 174 | G | 93.3 | Very high | 94.3 | Very high | 29 Ų | 29 | 53.8 Ų | 53.8 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.2 | -33.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F170 F171 F172 W176 V177 L178 | F170-G174 VanDerWaalsContact O-CA 3.24Å; F170-G174 WeakPolarHBondContact O-CA 3.08Å; F170-G174 PolarHBondContact O-N 3.02Å; F171-G174 PolarHBondContact O-N 2.82Å; F172-G174 VanDerWaalsContact C-N 3.33Å; F172-G174 PolarHBondContact O-N 3.22Å; G174-W176 VanDerWaalsContact C-N 3.31Å; G174-W176 PolarHBondContact O-N 3.08Å; G174-V177 PolarHBondContact O-N 3.42Å; G174-L178 VanDerWaalsContact O-CB 3.31Å; G174-L178 WeakPolarHBondContact O-CB 3.38Å; G174-L178 PolarHBondContact O-N 3.2Å |
| 175 | V | 95.3 | Very high | 94.6 | Very high | 36 Ų | 36 | 60.4 Ų | 60.4 | 22% | 0.218 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65 | -36.4 | 174.4 | 169.2 | 0 | 0 | 0 | 0 | 111.2 | W46 F171 F172 N173 V177 L178 I179 | W46-V175 HydrophobicContact CH2-CG1 3.84Å; W46-V175 HydrophobicContact CZ3-CG1 3.56Å; F171-V175 HydrophobicContact CE2-CG2 4.19Å; F171-V175 HydrophobicContact CZ-CG2 4.29Å; F171-V175 WeakPolarHBondContact O-CG2 3.45Å; F171-V175 PolarHBondContact O-N 2.82Å; F171-V175 VanDerWaalsContact O-N 3.09Å; F172-V175 PolarHBondContact O-N 3.05Å; N173-V175 VanDerWaalsContact C-N 3.27Å; N173-V175 PolarHBondContact O-N 2.86Å; V175-V177 PolarHBondContact O-N 3.04Å; V175-L178 PolarHBondContact O-N 3.36Å; V175-I179 HydrophobicContact CG1-CG1 3.97Å; V175-I179 WeakPolarHBondContact O-CG1 3.39Å; V175-I179 PolarHBondContact O-N 3.06Å |
| 176 | W | 94.6 | Very high | 94.9 | Very high | 41 Ų | 41 | 60.4 Ų | 60.4 | 16% | 0.155 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -75.8 | -9.5 | 179 | -80.5 | -127.4 | 0 | 0 | 0 | 111.9 | W46 Y49 V53 F172 N173 G174 P180 | W46-W176 AromaticContact CH2-CD2 3.79Å; W46-W176 HydrophobicContact CH2-CD2 3.79Å; W46-W176 AromaticContact CH2-CE3 3.77Å; W46-W176 HydrophobicContact CH2-CE3 3.77Å; W46-W176 HydrophobicContact CH2-CG 4.31Å; W46-W176 HydrophobicContact CH2-CH2 4.45Å; W46-W176 HydrophobicContact CH2-CZ2 4.42Å; W46-W176 HydrophobicContact CH2-CZ3 4.12Å; W46-W176 HydrophobicContact CZ3-CE3 4.42Å; W46-W176 HydrophobicContact CZ3-CZ3 4.37Å; Y49-W176 AromaticContact CE1-CH2 3.53Å; Y49-W176 HydrophobicContact CE1-CH2 3.53Å; Y49-W176 AromaticContact CE1-CZ2 4Å; Y49-W176 HydrophobicContact CE1-CZ2 4Å; Y49-W176 HydrophobicContact CE1-CZ3 4.38Å; V53-W176 HydrophobicContact CG1-CZ2 4.23Å; V53-W176 HydrophobicContact CG2-CZ2 4.23Å; F172-W176 WeakPolarHBondContact O-CZ3 3.44Å; N173-W176 PolarHBondContact O-N 3.25Å; N173-W176 VanDerWaalsContact O-N 3.09Å; G174-W176 VanDerWaalsContact C-N 3.31Å; G174-W176 PolarHBondContact O-N 3.08Å; W176-P180 WeakPolarHBondContact O-CD 3.41Å; W176-P180 WeakPolarHBondContact O-CG 3.3Å |
| 177 | V | 95.9 | Very high | 95.1 | Very high | 72 Ų | 72 | 54.2 Ų | 54.2 | 44% | 0.436 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -96.6 | -45.7 | 168.5 | 176.8 | 0 | 0 | 0 | 0 | 111 | L139 C142 N173 G174 V175 G181 | L139-V177 HydrophobicContact CD2-CB 4.21Å; L139-V177 HydrophobicContact CD2-CG1 3.92Å; L139-V177 HydrophobicContact CD2-CG2 4.4Å; C142-V177 HydrophobicContact CB-CG2 4.12Å; N173-V177 PolarHBondContact O-N 2.8Å; G174-V177 PolarHBondContact O-N 3.42Å; V175-V177 PolarHBondContact O-N 3.04Å; V177-G181 PolarHBondContact O-N 2.63Å; V177-G181 VanDerWaalsContact O-N 3.09Å |
| 178 | L | 97 | Very high | 95.4 | Very high | 104 Ų | 104 | 60.4 Ų | 60.4 | 55% | 0.545 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.6 | -49.5 | -173.7 | -179.9 | 63.3 | 0 | 0 | 0 | 112 | G174 V175 G181 L182 | G174-L178 VanDerWaalsContact O-CB 3.31Å; G174-L178 WeakPolarHBondContact O-CB 3.38Å; G174-L178 PolarHBondContact O-N 3.2Å; V175-L178 PolarHBondContact O-N 3.36Å; L178-G181 PolarHBondContact O-N 2.94Å; L178-L182 HydrophobicContact CD1-CD1 4.26Å; L178-L182 HydrophobicContact CD1-CG 4.4Å; L178-L182 HydrophobicContact CG-CD1 4.11Å; L178-L182 VanDerWaalsContact O-CG 3.32Å; L178-L182 WeakPolarHBondContact O-CG 3.4Å; L178-L182 PolarHBondContact O-N 3.17Å |
| 179 | I | 97.1 | Very high | 95.7 | Very high | 47 Ų | 47 | 61.8 Ų | 61.8 | 24% | 0.241 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.9 | -46.7 | -175.5 | -57.2 | -63.3 | 0 | 0 | 0 | 111.3 | W46 V175 G181 L182 L183 | W46-I179 HydrophobicContact CB-CG2 4.06Å; W46-I179 HydrophobicContact CD2-CB 3.94Å; W46-I179 HydrophobicContact CD2-CG1 4.3Å; W46-I179 HydrophobicContact CD2-CG2 3.38Å; W46-I179 HydrophobicContact CE3-CB 4.15Å; W46-I179 HydrophobicContact CE3-CG1 4Å; W46-I179 HydrophobicContact CE3-CG2 3.94Å; W46-I179 HydrophobicContact CG-CB 4.46Å; W46-I179 HydrophobicContact CG-CG2 3.41Å; W46-I179 VanDerWaalsContact CG-CG2 3.41Å; W46-I179 HydrophobicContact CH2-CB 4.37Å; W46-I179 HydrophobicContact CH2-CG1 4.46Å; W46-I179 HydrophobicContact CZ2-CB 4.17Å; W46-I179 HydrophobicContact CZ2-CG2 4.37Å; W46-I179 HydrophobicContact CZ3-CB 4.36Å; W46-I179 HydrophobicContact CZ3-CG1 4.09Å; V175-I179 HydrophobicContact CG1-CG1 3.97Å; V175-I179 WeakPolarHBondContact O-CG1 3.39Å; V175-I179 PolarHBondContact O-N 3.06Å; I179-G181 VanDerWaalsContact C-N 3.29Å; I179-G181 PolarHBondContact O-N 2.87Å; I179-L182 HydrophobicContact CD1-CD1 4.38Å; I179-L182 PolarHBondContact O-N 3.05Å; I179-L182 VanDerWaalsContact O-N 3.1Å; I179-L183 HydrophobicContact CG2-CD1 4.2Å; I179-L183 HydrophobicContact CG2-CG 4.34Å; I179-L183 WeakPolarHBondContact O-CG 3.42Å; I179-L183 PolarHBondContact O-N 2.97Å |
| 180 | P | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.6 | -37.7 | 174.4 | -30.7 | 43.4 | 0 | 0 | 0 | 112.8 | C135 E138 L139 W176 L182 L183 L184 | C135-P180 HydrophobicContact CB-CB 3.81Å; E138-P180 HydrophobicContact CB-CG 4.16Å; E138-P180 WeakPolarHBondContact OE2-CB 3.41Å; E138-P180 WeakPolarHBondContact OE2-CG 3.49Å; L139-P180 HydrophobicContact CD2-CB 4.31Å; L139-P180 HydrophobicContact CG-CB 4.13Å; W176-P180 WeakPolarHBondContact O-CD 3.41Å; W176-P180 WeakPolarHBondContact O-CG 3.3Å; P180-L182 PolarHBondContact O-N 3.44Å; P180-L183 PolarHBondContact O-N 3.12Å; P180-L184 WeakPolarHBondContact O-CB 3.48Å; P180-L184 WeakPolarHBondContact O-CG 3.29Å; P180-L184 PolarHBondContact O-N 3.06Å |
| 181 | G | 97.6 | Very high | 95.9 | Very high | 32 Ų | 32 | 60.5 Ų | 60.5 | 33% | 0.33 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59 | -43.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V177 L178 I179 L184 W185 | V177-G181 PolarHBondContact O-N 2.63Å; V177-G181 VanDerWaalsContact O-N 3.09Å; L178-G181 PolarHBondContact O-N 2.94Å; I179-G181 VanDerWaalsContact C-N 3.29Å; I179-G181 PolarHBondContact O-N 2.87Å; G181-L184 PolarHBondContact O-N 3Å; G181-W185 PolarHBondContact O-N 2.98Å |
| 182 | L | 97.7 | Very high | 96 | Very high | 98 Ų | 98 | 61 Ų | 61 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.7 | -38.3 | 176 | -67.8 | 169.1 | 0 | 0 | 0 | 112.1 | L178 I179 P180 W185 Q186 | L178-L182 HydrophobicContact CD1-CD1 4.26Å; L178-L182 HydrophobicContact CD1-CG 4.4Å; L178-L182 HydrophobicContact CG-CD1 4.11Å; L178-L182 VanDerWaalsContact O-CG 3.32Å; L178-L182 WeakPolarHBondContact O-CG 3.4Å; L178-L182 PolarHBondContact O-N 3.17Å; I179-L182 HydrophobicContact CD1-CD1 4.38Å; I179-L182 PolarHBondContact O-N 3.05Å; I179-L182 VanDerWaalsContact O-N 3.1Å; P180-L182 PolarHBondContact O-N 3.44Å; L182-W185 PolarHBondContact O-N 3.4Å; L182-Q186 WeakPolarHBondContact O-CB 3.43Å; L182-Q186 PolarHBondContact O-N 2.71Å |
| 183 | L | 97.7 | Very high | 96.1 | Very high | 11 Ų | 11 | 63.1 Ų | 63.1 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.1 | -36.7 | 175.9 | -70.3 | 179.1 | 0 | 0 | 0 | 112.2 | A43 Q131 I179 P180 Q186 S187 | A43-L183 HydrophobicContact CB-CD2 3.77Å; Q131-L183 HydrophobicContact CG-CB 4.16Å; Q131-L183 PolarHBondContact NE2-O 3.47Å; I179-L183 HydrophobicContact CG2-CD1 4.2Å; I179-L183 HydrophobicContact CG2-CG 4.34Å; I179-L183 WeakPolarHBondContact O-CG 3.42Å; I179-L183 PolarHBondContact O-N 2.97Å; P180-L183 PolarHBondContact O-N 3.12Å; L183-Q186 PolarHBondContact O-N 3.01Å; L183-S187 PolarHBondContact O-N 3.41Å; L183-S187 PolarHBondContact O-OG 3.42Å |
| 184 | L | 97.9 | Very high | 96 | Very high | 41 Ų | 41 | 66.6 Ų | 66.6 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 171.7 | -76.8 | 173.4 | 0 | 0 | 0 | 111.1 | I132 C135 L139 P180 G181 Q186 S187 W188 | I132-L184 HydrophobicContact CB-CD2 4.11Å; I132-L184 HydrophobicContact CG1-CD2 3.96Å; I132-L184 HydrophobicContact CG2-CD2 3.99Å; C135-L184 HydrophobicContact CB-CD1 4Å; C135-L184 HydrophobicContact CB-CD2 3.79Å; C135-L184 HydrophobicContact CB-CG 3.56Å; L139-L184 HydrophobicContact CD1-CD1 3.6Å; P180-L184 WeakPolarHBondContact O-CB 3.48Å; P180-L184 WeakPolarHBondContact O-CG 3.29Å; P180-L184 PolarHBondContact O-N 3.06Å; G181-L184 PolarHBondContact O-N 3Å; L184-Q186 VanDerWaalsContact C-N 3.33Å; L184-Q186 PolarHBondContact O-N 3.27Å; L184-S187 PolarHBondContact O-N 3.49Å; L184-W188 WeakPolarHBondContact O-CB 3.49Å; L184-W188 PolarHBondContact O-N 3.34Å |
| 185 | W | 97.6 | Very high | 95.9 | Very high | 178 Ų | 178 | 70.7 Ų | 70.7 | 67% | 0.674 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.4 | -44.3 | 175.6 | -178.6 | -98.2 | 0 | 0 | 0 | 111.9 | G181 L182 S187 W188 V189 | G181-W185 PolarHBondContact O-N 2.98Å; L182-W185 PolarHBondContact O-N 3.4Å; W185-S187 PolarHBondContact O-N 2.98Å; W185-W188 WeakPolarHBondContact O-CB 3.27Å; W185-W188 PolarHBondContact O-N 3.01Å; W185-V189 HydrophobicContact CZ2-CG2 4.45Å; W185-V189 WeakPolarHBondContact O-CG2 3.5Å; W185-V189 PolarHBondContact O-N 3.43Å |
| 186 | Q | 96.6 | Very high | 95.8 | Very high | 30 Ų | 30 | 73.8 Ų | 73.8 | 14% | 0.14 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.3 | -49.9 | 174.8 | -175.5 | -160.6 | 5.2 | 0 | 0 | 111.1 | Q131 L182 L183 L184 W188 V189 E190 | Q131-Q186 VanDerWaalsContact NE2-OE1 3.13Å; L182-Q186 WeakPolarHBondContact O-CB 3.43Å; L182-Q186 PolarHBondContact O-N 2.71Å; L183-Q186 PolarHBondContact O-N 3.01Å; L184-Q186 VanDerWaalsContact C-N 3.33Å; L184-Q186 PolarHBondContact O-N 3.27Å; Q186-W188 VanDerWaalsContact C-N 3.32Å; Q186-W188 PolarHBondContact O-N 2.86Å; Q186-V189 PolarHBondContact O-N 3.19Å; Q186-E190 WeakPolarHBondContact O-CG 3.23Å; Q186-E190 PolarHBondContact O-N 3.24Å |
| 187 | S | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 179 | -73.2 | 0 | 0 | 0 | 0 | 112.1 | H128 Q131 L183 L184 W185 V189 E190 L191 | H128-S187 PolarHBondContact ND1-OG 3.18Å; Q131-S187 VanDerWaalsContact CD-OG 3.26Å; Q131-S187 PolarHBondContact NE2-OG 3.16Å; L183-S187 PolarHBondContact O-N 3.41Å; L183-S187 PolarHBondContact O-OG 3.42Å; L184-S187 PolarHBondContact O-N 3.49Å; W185-S187 PolarHBondContact O-N 2.98Å; S187-V189 PolarHBondContact O-N 2.88Å; S187-E190 PolarHBondContact O-N 3.45Å; S187-L191 WeakPolarHBondContact O-CB 3.45Å; S187-L191 WeakPolarHBondContact O-CG 3.49Å; S187-L191 PolarHBondContact O-N 2.89Å |
| 188 | W | 97 | Very high | 95.1 | Very high | 173 Ų | 173 | 82.5 Ų | 82.5 | 66% | 0.655 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -59.3 | -46.8 | 176.3 | -178.5 | -103.2 | 0 | 0 | 0 | 112.6 | L184 W185 Q186 K192 | L184-W188 WeakPolarHBondContact O-CB 3.49Å; L184-W188 PolarHBondContact O-N 3.34Å; W185-W188 WeakPolarHBondContact O-CB 3.27Å; W185-W188 PolarHBondContact O-N 3.01Å; Q186-W188 VanDerWaalsContact C-N 3.32Å; Q186-W188 PolarHBondContact O-N 2.86Å; W188-K192 WeakPolarHBondContact O-CB 3.45Å; W188-K192 PolarHBondContact O-N 3.1Å |
| 189 | V | 96.4 | Very high | 94.6 | Very high | 45 Ų | 45 | 80.2 Ų | 80.2 | 27% | 0.273 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 179 | 170 | 0 | 0 | 0 | 0 | 111.5 | W185 Q186 S187 K192 K193 | W185-V189 HydrophobicContact CZ2-CG2 4.45Å; W185-V189 WeakPolarHBondContact O-CG2 3.5Å; W185-V189 PolarHBondContact O-N 3.43Å; Q186-V189 PolarHBondContact O-N 3.19Å; S187-V189 PolarHBondContact O-N 2.88Å; V189-K192 PolarHBondContact O-N 3.37Å; V189-K193 HydrophobicContact CG1-CD 4.47Å; V189-K193 WeakPolarHBondContact O-CG 3.49Å; V189-K193 PolarHBondContact O-N 3.02Å; V189-K193 VanDerWaalsContact O-N 3.16Å |
| 190 | E | 94.3 | Very high | 94 | Very high | 56 Ų | 56 | 81.6 Ų | 81.6 | 26% | 0.262 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.4 | -41.8 | 179.5 | -67.6 | -52 | 132.3 | 0 | 0 | 112.5 | H128 Q186 S187 K192 K193 M194 | H128-E190 WeakPolarHBondContact NE2-CB 3.26Å; Q186-E190 WeakPolarHBondContact O-CG 3.23Å; Q186-E190 PolarHBondContact O-N 3.24Å; S187-E190 PolarHBondContact O-N 3.45Å; E190-K192 VanDerWaalsContact C-N 3.3Å; E190-K192 PolarHBondContact O-N 3.05Å; E190-K193 WeakPolarHBondContact O-CB 3.43Å; E190-K193 PolarHBondContact O-N 3.33Å; E190-K193 VanDerWaalsContact O-N 3.14Å; E190-K193 IonicContact OE1-NZ 2.7Å; E190-K193 PolarHBondContact OE1-NZ 2.87Å; E190-K193 IonicContact OE2-NZ 3.88Å; E190-M194 WeakPolarHBondContact O-CG 3.38Å; E190-M194 PolarHBondContact O-N 3.29Å |
| 191 | L | 95.1 | Very high | 93.2 | Very high | 71 Ų | 71 | 84.4 Ų | 84.4 | 37% | 0.372 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.2 | -41.8 | 174.6 | -73.2 | 171.6 | 0 | 0 | 0 | 111.8 | H128 I132 S187 K193 M194 H195 | H128-L191 HydrophobicContact CB-CD1 4.45Å; H128-L191 HydrophobicContact CB-CD2 4.14Å; H128-L191 HydrophobicContact CB-CG 4.25Å; I132-L191 HydrophobicContact CD1-CD1 3.71Å; S187-L191 WeakPolarHBondContact O-CB 3.45Å; S187-L191 WeakPolarHBondContact O-CG 3.49Å; S187-L191 PolarHBondContact O-N 2.89Å; L191-K193 PolarHBondContact O-N 3.3Å; L191-M194 PolarHBondContact O-N 2.85Å; L191-H195 PolarHBondContact O-N 3.34Å |
| 192 | K | 95.6 | Very high | 92.4 | Very high | 126 Ų | 126 | 86.6 Ų | 86.6 | 55% | 0.548 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 174.5 | -178 | 179.5 | 178.3 | 179.6 | 0 | 112 | W188 V189 E190 H195 Q196 | W188-K192 WeakPolarHBondContact O-CB 3.45Å; W188-K192 PolarHBondContact O-N 3.1Å; V189-K192 PolarHBondContact O-N 3.37Å; E190-K192 VanDerWaalsContact C-N 3.3Å; E190-K192 PolarHBondContact O-N 3.05Å; K192-H195 PolarHBondContact O-N 3.08Å; K192-Q196 WeakPolarHBondContact O-CG 3.3Å; K192-Q196 PolarHBondContact O-N 3.33Å; K192-Q196 VanDerWaalsContact O-N 3.1Å |
| 193 | K | 93.9 | Very high | 91.4 | Very high | 107 Ų | 107 | 89.5 Ų | 89.5 | 47% | 0.465 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 177.9 | -70.1 | 170.4 | -174.5 | 169.9 | 0 | 111.7 | V189 E190 L191 H195 Q196 K197 | V189-K193 HydrophobicContact CG1-CD 4.47Å; V189-K193 WeakPolarHBondContact O-CG 3.49Å; V189-K193 PolarHBondContact O-N 3.02Å; V189-K193 VanDerWaalsContact O-N 3.16Å; E190-K193 WeakPolarHBondContact O-CB 3.43Å; E190-K193 PolarHBondContact O-N 3.33Å; E190-K193 VanDerWaalsContact O-N 3.14Å; E190-K193 IonicContact OE1-NZ 2.7Å; E190-K193 PolarHBondContact OE1-NZ 2.87Å; E190-K193 IonicContact OE2-NZ 3.88Å; L191-K193 PolarHBondContact O-N 3.3Å; K193-H195 PolarHBondContact O-N 3.48Å; K193-Q196 PolarHBondContact O-N 2.9Å; K193-K197 WeakPolarHBondContact O-CB 3.21Å; K193-K197 PolarHBondContact O-N 3.11Å |
| 194 | M | 91 | Very high | 90.1 | Very high | 101 Ų | 101 | 97.3 Ų | 97.3 | 50% | 0.498 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 178.2 | -69.8 | 173 | 66.6 | 0 | 0 | 111.4 | E190 L191 Q196 K197 E198 | E190-M194 WeakPolarHBondContact O-CG 3.38Å; E190-M194 PolarHBondContact O-N 3.29Å; L191-M194 PolarHBondContact O-N 2.85Å; M194-Q196 PolarHBondContact O-N 3.4Å; M194-K197 PolarHBondContact O-N 3.45Å; M194-E198 PolarHBondContact O-N 3.32Å |
| 195 | H | 92.3 | Very high | 88.7 | Confident | 116 Ų | 116 | 103.5 Ų | 103.5 | 54% | 0.537 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 177.7 | -177.8 | 69.7 | 0 | 0 | 0 | 113 | L191 K192 K193 K197 E198 T199 | L191-H195 PolarHBondContact O-N 3.34Å; K192-H195 PolarHBondContact O-N 3.08Å; K193-H195 PolarHBondContact O-N 3.48Å; H195-K197 VanDerWaalsContact C-N 3.34Å; H195-K197 PolarHBondContact O-N 3.04Å; H195-E198 PolarHBondContact O-N 2.84Å; H195-T199 WeakPolarHBondContact O-CG2 3.29Å; H195-T199 PolarHBondContact O-N 2.91Å; H195-T199 PolarHBondContact O-OG1 3.13Å |
| 196 | Q | 91.7 | Very high | 86.8 | Confident | 101 Ų | 101 | 104.9 Ų | 104.9 | 47% | 0.472 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65 | -36.8 | 176.6 | -73.7 | -179.5 | -22.9 | 0 | 0 | 112.8 | K192 K193 M194 T199 S200 | K192-Q196 WeakPolarHBondContact O-CG 3.3Å; K192-Q196 PolarHBondContact O-N 3.33Å; K192-Q196 VanDerWaalsContact O-N 3.1Å; K193-Q196 PolarHBondContact O-N 2.9Å; M194-Q196 PolarHBondContact O-N 3.4Å; Q196-T199 WeakPolarHBondContact CA-OG1 3.41Å; Q196-T199 PolarHBondContact O-OG1 3.5Å; Q196-S200 WeakPolarHBondContact O-CB 2.96Å; Q196-S200 PolarHBondContact O-N 3.34Å; Q196-S200 PolarHBondContact O-OG 3.25Å |
| 197 | K | 89.3 | Confident | 86.3 | Confident | 167 Ų | 167 | 108.7 Ų | 108.7 | 73% | 0.726 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.9 | -43.6 | 177.1 | -174.7 | 178.3 | 178.7 | -178.3 | 0 | 111.5 | K193 M194 H195 S200 S201 | K193-K197 WeakPolarHBondContact O-CB 3.21Å; K193-K197 PolarHBondContact O-N 3.11Å; M194-K197 PolarHBondContact O-N 3.45Å; H195-K197 VanDerWaalsContact C-N 3.34Å; H195-K197 PolarHBondContact O-N 3.04Å; K197-S200 PolarHBondContact O-N 2.94Å; K197-S201 WeakPolarHBondContact O-CB 3.29Å; K197-S201 PolarHBondContact O-N 3.36Å |
| 198 | E | 87.6 | Confident | 85.7 | Confident | 128 Ų | 128 | 114.4 Ų | 114.4 | 60% | 0.598 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.7 | -50.7 | 176.9 | -174.6 | 177.2 | -163.1 | 0 | 0 | 111.4 | M194 H195 S200 S201 V202 | M194-E198 PolarHBondContact O-N 3.32Å; H195-E198 PolarHBondContact O-N 2.84Å; E198-S200 VanDerWaalsContact C-N 3.32Å; E198-S200 PolarHBondContact O-N 3.27Å; E198-S201 WeakPolarHBondContact O-CB 3.26Å; E198-S201 PolarHBondContact O-N 2.73Å; E198-S201 VanDerWaalsContact O-N 3.1Å; E198-V202 WeakPolarHBondContact O-CG2 3.44Å; E198-V202 PolarHBondContact O-N 3.09Å |
| 199 | T | 85.9 | Confident | 85.1 | Confident | 56 Ų | 56 | 111.1 Ų | 111.1 | 34% | 0.344 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.1 | -37.7 | 178.4 | 49.5 | 0 | 0 | 0 | 0 | 113.2 | H195 Q196 K203 | H195-T199 WeakPolarHBondContact O-CG2 3.29Å; H195-T199 PolarHBondContact O-N 2.91Å; H195-T199 PolarHBondContact O-OG1 3.13Å; Q196-T199 WeakPolarHBondContact CA-OG1 3.41Å; Q196-T199 PolarHBondContact O-OG1 3.5Å; T199-K203 WeakPolarHBondContact O-CG 3.42Å; T199-K203 PolarHBondContact O-N 3.34Å |
| 200 | S | 84.4 | Confident | 84.4 | Confident | 77 Ų | 77 | 115 Ų | 115 | 54% | 0.538 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.8 | -35.9 | 174.9 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | Q196 K197 E198 K204 | Q196-S200 WeakPolarHBondContact O-CB 2.96Å; Q196-S200 PolarHBondContact O-N 3.34Å; Q196-S200 PolarHBondContact O-OG 3.25Å; K197-S200 PolarHBondContact O-N 2.94Å; E198-S200 VanDerWaalsContact C-N 3.32Å; E198-S200 PolarHBondContact O-N 3.27Å; S200-K204 PolarHBondContact O-N 3.16Å |
| 201 | S | 80.9 | Confident | 83.8 | Confident | 58 Ų | 58 | 118.7 Ų | 118.7 | 41% | 0.406 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64 | -47.2 | 175.4 | -169.6 | 0 | 0 | 0 | 0 | 110.8 | K197 E198 K203 K204 F205 | K197-S201 WeakPolarHBondContact O-CB 3.29Å; K197-S201 PolarHBondContact O-N 3.36Å; E198-S201 WeakPolarHBondContact O-CB 3.26Å; E198-S201 PolarHBondContact O-N 2.73Å; E198-S201 VanDerWaalsContact O-N 3.1Å; S201-K203 VanDerWaalsContact C-N 3.33Å; S201-K203 PolarHBondContact O-N 3.12Å; S201-K204 WeakPolarHBondContact O-CB 3.22Å; S201-K204 PolarHBondContact O-N 3.05Å; S201-K204 VanDerWaalsContact O-N 3.07Å; S201-F205 WeakPolarHBondContact O-CD2 3.33Å; S201-F205 PolarHBondContact O-N 2.86Å |
| 202 | V | 81.6 | Confident | 83.1 | Confident | 79 Ų | 79 | 121.9 Ų | 121.9 | 48% | 0.479 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -57.4 | -45.1 | 178.2 | 174 | 0 | 0 | 0 | 0 | 111.5 | E198 K204 F205 Q206 | E198-V202 WeakPolarHBondContact O-CG2 3.44Å; E198-V202 PolarHBondContact O-N 3.09Å; V202-K204 PolarHBondContact O-N 3.29Å; V202-F205 PolarHBondContact O-N 3.04Å; V202-F205 VanDerWaalsContact O-N 3.17Å; V202-Q206 PolarHBondContact O-N 3.46Å |
| 203 | K | 75.1 | Confident | 82.2 | Confident | 158 Ų | 158 | 121.6 Ų | 121.6 | 69% | 0.687 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.6 | -21.8 | 177.7 | -72.2 | -179.3 | -177.8 | -177 | 0 | 114.6 | T199 S201 | T199-K203 WeakPolarHBondContact O-CG 3.42Å; T199-K203 PolarHBondContact O-N 3.34Å; S201-K203 VanDerWaalsContact C-N 3.33Å; S201-K203 PolarHBondContact O-N 3.12Å |
| 204 | K | 71.7 | Confident | 81.3 | Confident | 175 Ų | 175 | 122.7 Ų | 122.7 | 76% | 0.761 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -81.8 | -21 | 178.3 | -170.4 | 177.3 | 177.4 | -177.3 | 0 | 112.6 | S200 S201 V202 | S200-K204 PolarHBondContact O-N 3.16Å; S201-K204 WeakPolarHBondContact O-CB 3.22Å; S201-K204 PolarHBondContact O-N 3.05Å; S201-K204 VanDerWaalsContact O-N 3.07Å; V202-K204 PolarHBondContact O-N 3.29Å |
| 205 | F | 67.6 | Low | 80.5 | Confident | 172 Ų | 172 | 124.5 Ų | 124.5 | 75% | 0.754 | 61% | 0.606 | S | S | * | * | trans | -102.3 | 1.5 | -179.2 | -66.8 | -71.9 | 0 | 0 | 0 | 113.3 | S201 V202 | S201-F205 WeakPolarHBondContact O-CD2 3.33Å; S201-F205 PolarHBondContact O-N 2.86Å; V202-F205 PolarHBondContact O-N 3.04Å; V202-F205 VanDerWaalsContact O-N 3.17Å | ||
| 206 | Q | 57.5 | Low | 79.4 | Confident | 207 Ų | 207 | 125.3 Ų | 125.3 | 97% | 0.967 | 61% | 0.612 | S | S | * | * | trans | -101 | 0 | 167.4 | -69.2 | -176.1 | -45.6 | 0 | 0 | 109.4 | V202 | V202-Q206 PolarHBondContact O-N 3.46Š|
Retrieved 206 of 206 residues in 314.8 ms
(Link to these results)