| 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 | 38.7 | Very low | 59.6 | Low | 243 Ų | 243 | 113.1 Ų | 113.1 | 100% | 1.197 | 63% | 0.63 | S | S | * | * | 0 | 100.7 | 0 | -88.7 | 164.2 | 153.4 | 0 | 0 | 109 | |||||
| 2 | N | 54.7 | Low | 60.5 | Low | 126 Ų | 126 | 110 Ų | 110 | 67% | 0.674 | 62% | 0.616 | S | S | * | * | trans | -173.2 | 23.6 | 155.9 | -123.2 | 6.6 | 0 | 0 | 0 | 115.3 | ||||
| 3 | I | 57 | Low | 61.1 | Low | 160 Ų | 160 | 115.8 Ų | 115.8 | 82% | 0.821 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -89.7 | -16.2 | -176.8 | -59.1 | 172 | 0 | 0 | 0 | 111.7 | ||
| 4 | T | 58.4 | Low | 61.9 | Low | 115 Ų | 115 | 111.7 Ų | 111.7 | 71% | 0.706 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -81 | -20 | -173.6 | 48.6 | 0 | 0 | 0 | 0 | 114.9 | T8 | T4-T8 PolarHBondContact O-OG1 3.28Å |
| 5 | T | 62.9 | Low | 62.6 | Low | 68 Ų | 68 | 109.1 Ų | 109.1 | 42% | 0.417 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -77.4 | -29.5 | -177 | 38.4 | 0 | 0 | 0 | 0 | 113.8 | T8 T9 | T5-T8 PolarHBondContact O-OG1 3.46Å; T5-T9 WeakPolarHBondContact O-CG2 3.39Å; T5-T9 PolarHBondContact O-N 3.09Å; T5-T9 PolarHBondContact O-OG1 2.75Å |
| 6 | N | 60.6 | Low | 63.6 | Low | 109 Ų | 109 | 109.1 Ų | 109.1 | 58% | 0.583 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -79.3 | -36.2 | 179.7 | -68 | -6.9 | 0 | 0 | 0 | 112.4 | T9 I10 | N6-T9 WeakPolarHBondContact CA-OG1 3.46Å; N6-T9 PolarHBondContact O-OG1 3.49Å; N6-I10 WeakPolarHBondContact O-CD1 3.46Å; N6-I10 VanDerWaalsContact O-CG1 3.27Å; N6-I10 WeakPolarHBondContact O-CG1 3.36Å; N6-I10 PolarHBondContact O-N 3.27Å |
| 7 | G | 59.7 | Low | 64.4 | Low | 38 Ų | 38 | 108.6 Ų | 108.6 | 39% | 0.392 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.5 | -41.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113 | I10 L11 | G7-I10 PolarHBondContact O-N 3.49Å; G7-L11 WeakPolarHBondContact O-CG 3.36Å; G7-L11 PolarHBondContact O-N 3.01Å; G7-L11 VanDerWaalsContact O-N 3.1Å |
| 8 | T | 65 | Low | 65.2 | Low | 83 Ų | 83 | 108.2 Ų | 108.2 | 51% | 0.509 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -71.1 | -36.1 | 180 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | T4 T5 L11 T12 | T4-T8 PolarHBondContact O-OG1 3.28Å; T5-T8 PolarHBondContact O-OG1 3.46Å; T8-L11 PolarHBondContact O-N 2.95Å; T8-T12 WeakPolarHBondContact O-CB 3.28Å; T8-T12 WeakPolarHBondContact O-CG2 3.46Å; T8-T12 PolarHBondContact O-N 2.98Å; T8-T12 PolarHBondContact O-OG1 3.26Å |
| 9 | T | 67.3 | Low | 65.6 | Low | 69 Ų | 69 | 104.5 Ų | 104.5 | 42% | 0.423 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.1 | -33.3 | 176.2 | 48.6 | 0 | 0 | 0 | 0 | 112.6 | T5 N6 T12 R13 | T5-T9 WeakPolarHBondContact O-CG2 3.39Å; T5-T9 PolarHBondContact O-N 3.09Å; T5-T9 PolarHBondContact O-OG1 2.75Å; N6-T9 WeakPolarHBondContact CA-OG1 3.46Å; N6-T9 PolarHBondContact O-OG1 3.49Å; T9-T12 WeakPolarHBondContact CA-OG1 3.4Å; T9-T12 PolarHBondContact O-OG1 3.48Å; T9-T12 VanDerWaalsContact O-OG1 3.09Å; T9-R13 WeakPolarHBondContact O-CB 3.43Å; T9-R13 VanDerWaalsContact O-CG 3.28Å; T9-R13 WeakPolarHBondContact O-CG 3.27Å; T9-R13 PolarHBondContact O-N 3.18Å; T9-R13 VanDerWaalsContact O-N 3.16Å |
| 10 | I | 64.6 | Low | 66.2 | Low | 106 Ų | 106 | 103.4 Ų | 103.4 | 54% | 0.544 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.8 | -46.4 | 173.9 | -64.9 | 165.1 | 0 | 0 | 0 | 110.7 | N6 G7 T12 R13 S14 | N6-I10 WeakPolarHBondContact O-CD1 3.46Å; N6-I10 VanDerWaalsContact O-CG1 3.27Å; N6-I10 WeakPolarHBondContact O-CG1 3.36Å; N6-I10 PolarHBondContact O-N 3.27Å; G7-I10 PolarHBondContact O-N 3.49Å; I10-T12 VanDerWaalsContact C-N 3.34Å; I10-T12 PolarHBondContact O-N 3.16Å; I10-R13 PolarHBondContact O-N 3.1Å; I10-S14 PolarHBondContact O-N 3.25Å; I10-S14 PolarHBondContact O-OG 3.25Å |
| 11 | L | 67.1 | Low | 66.6 | Low | 127 Ų | 127 | 103.6 Ų | 103.6 | 67% | 0.665 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.8 | -41.4 | 179.8 | -75.1 | 169.3 | 0 | 0 | 0 | 112.4 | G7 T8 S14 S15 | G7-L11 WeakPolarHBondContact O-CG 3.36Å; G7-L11 PolarHBondContact O-N 3.01Å; G7-L11 VanDerWaalsContact O-N 3.1Å; T8-L11 PolarHBondContact O-N 2.95Å; L11-S14 PolarHBondContact O-N 3.45Å; L11-S15 PolarHBondContact O-N 3.08Å; L11-S15 VanDerWaalsContact O-N 3.08Å; L11-S15 PolarHBondContact O-OG 3.42Å |
| 12 | T | 70.4 | Confident | 68.3 | Low | 76 Ų | 76 | 96.8 Ų | 96.8 | 47% | 0.466 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 176.5 | 45.6 | 0 | 0 | 0 | 0 | 112.4 | T8 T9 I10 S15 I16 | T8-T12 WeakPolarHBondContact O-CB 3.28Å; T8-T12 WeakPolarHBondContact O-CG2 3.46Å; T8-T12 PolarHBondContact O-N 2.98Å; T8-T12 PolarHBondContact O-OG1 3.26Å; T9-T12 WeakPolarHBondContact CA-OG1 3.4Å; T9-T12 PolarHBondContact O-OG1 3.48Å; T9-T12 VanDerWaalsContact O-OG1 3.09Å; I10-T12 VanDerWaalsContact C-N 3.34Å; I10-T12 PolarHBondContact O-N 3.16Å; T12-S15 PolarHBondContact O-OG 3.16Å; T12-S15 VanDerWaalsContact O-OG 3.08Å; T12-I16 WeakPolarHBondContact O-CD1 3.22Å; T12-I16 WeakPolarHBondContact O-CG1 3.34Å; T12-I16 PolarHBondContact O-N 3.43Å |
| 13 | R | 67.2 | Low | 69.2 | Low | 186 Ų | 186 | 97.1 Ų | 97.1 | 70% | 0.702 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.6 | -43.2 | 174.2 | -77.1 | 177.5 | 178.1 | -172.8 | 0.7 | 111.9 | T9 I10 I16 I17 | T9-R13 WeakPolarHBondContact O-CB 3.43Å; T9-R13 VanDerWaalsContact O-CG 3.28Å; T9-R13 WeakPolarHBondContact O-CG 3.27Å; T9-R13 PolarHBondContact O-N 3.18Å; T9-R13 VanDerWaalsContact O-N 3.16Å; I10-R13 PolarHBondContact O-N 3.1Å; R13-I16 PolarHBondContact O-N 3.08Å; R13-I17 VanDerWaalsContact O-CG1 3.31Å; R13-I17 WeakPolarHBondContact O-CG1 3.31Å; R13-I17 PolarHBondContact O-N 3.43Å; R13-I17 VanDerWaalsContact O-N 3.16Å |
| 14 | S | 72.6 | Confident | 69.7 | Low | 58 Ų | 58 | 93.6 Ų | 93.6 | 41% | 0.406 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.2 | -40.8 | -179.7 | -63.4 | 0 | 0 | 0 | 0 | 112.8 | I10 L11 I17 I18 | I10-S14 PolarHBondContact O-N 3.25Å; I10-S14 PolarHBondContact O-OG 3.25Å; L11-S14 PolarHBondContact O-N 3.45Å; S14-I17 PolarHBondContact O-N 2.98Å; S14-I18 WeakPolarHBondContact O-CD1 3.37Å; S14-I18 WeakPolarHBondContact O-CG1 3.43Å; S14-I18 PolarHBondContact O-N 3.25Å; S14-I18 VanDerWaalsContact O-N 3.15Å |
| 15 | S | 73.2 | Confident | 70 | Confident | 72 Ų | 72 | 91 Ų | 91 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.9 | -36.7 | 179.2 | 63.6 | 0 | 0 | 0 | 0 | 112.7 | L11 T12 I18 G19 | L11-S15 PolarHBondContact O-N 3.08Å; L11-S15 VanDerWaalsContact O-N 3.08Å; L11-S15 PolarHBondContact O-OG 3.42Å; T12-S15 PolarHBondContact O-OG 3.16Å; T12-S15 VanDerWaalsContact O-OG 3.08Å; S15-I18 PolarHBondContact O-N 3.41Å; S15-G19 PolarHBondContact O-N 3.48Å |
| 16 | I | 78.7 | Confident | 70.2 | Confident | 110 Ų | 110 | 91.4 Ų | 91.4 | 56% | 0.564 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.2 | -45.7 | 175.9 | -66 | 165.2 | 0 | 0 | 0 | 110.5 | T12 R13 I18 G19 V20 | T12-I16 WeakPolarHBondContact O-CD1 3.22Å; T12-I16 WeakPolarHBondContact O-CG1 3.34Å; T12-I16 PolarHBondContact O-N 3.43Å; R13-I16 PolarHBondContact O-N 3.08Å; I16-I18 VanDerWaalsContact C-N 3.34Å; I16-I18 PolarHBondContact O-N 3.16Å; I16-G19 PolarHBondContact O-N 2.99Å; I16-V20 HydrophobicContact CG2-CG2 4.45Å; I16-V20 WeakPolarHBondContact O-CG2 3.34Å; I16-V20 PolarHBondContact O-N 3.02Å |
| 17 | I | 77.1 | Confident | 70.2 | Confident | 101 Ų | 101 | 88.1 Ų | 88.1 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 179.3 | -66.4 | 164.7 | 0 | 0 | 0 | 110.6 | R13 S14 G19 V20 I21 | R13-I17 VanDerWaalsContact O-CG1 3.31Å; R13-I17 WeakPolarHBondContact O-CG1 3.31Å; R13-I17 PolarHBondContact O-N 3.43Å; R13-I17 VanDerWaalsContact O-N 3.16Å; S14-I17 PolarHBondContact O-N 2.98Å; I17-G19 VanDerWaalsContact C-N 3.33Å; I17-G19 PolarHBondContact O-N 3.28Å; I17-V20 PolarHBondContact O-N 3.46Å; I17-I21 HydrophobicContact CG2-CD1 3.89Å; I17-I21 WeakPolarHBondContact O-CG1 3.29Å; I17-I21 PolarHBondContact O-N 3.47Å |
| 18 | I | 78.8 | Confident | 70.3 | Confident | 100 Ų | 100 | 91.1 Ų | 91.1 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 177.8 | -66.4 | 163.6 | 0 | 0 | 0 | 110.7 | S14 S15 I16 V20 I21 I22 | S14-I18 WeakPolarHBondContact O-CD1 3.37Å; S14-I18 WeakPolarHBondContact O-CG1 3.43Å; S14-I18 PolarHBondContact O-N 3.25Å; S14-I18 VanDerWaalsContact O-N 3.15Å; S15-I18 PolarHBondContact O-N 3.41Å; I16-I18 VanDerWaalsContact C-N 3.34Å; I16-I18 PolarHBondContact O-N 3.16Å; I18-V20 VanDerWaalsContact C-N 3.35Å; I18-V20 PolarHBondContact O-N 3.2Å; I18-I21 PolarHBondContact O-N 3.04Å; I18-I22 HydrophobicContact CG2-CD1 3.78Å; I18-I22 HydrophobicContact CG2-CG1 4.42Å; I18-I22 WeakPolarHBondContact O-CG1 3.33Å; I18-I22 PolarHBondContact O-N 3.32Å |
| 19 | G | 72.5 | Confident | 70 | Confident | 39 Ų | 39 | 89 Ų | 89 | 40% | 0.402 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S15 I16 I17 I22 L23 | S15-G19 PolarHBondContact O-N 3.48Å; I16-G19 PolarHBondContact O-N 2.99Å; I17-G19 VanDerWaalsContact C-N 3.33Å; I17-G19 PolarHBondContact O-N 3.28Å; G19-I22 PolarHBondContact O-N 3.43Å; G19-L23 WeakPolarHBondContact O-CB 3.35Å; G19-L23 PolarHBondContact O-N 2.96Å |
| 20 | V | 78 | Confident | 69.7 | Low | 82 Ų | 82 | 89.9 Ų | 89.9 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 177.1 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | I16 I17 I18 I22 L23 V24 | I16-V20 HydrophobicContact CG2-CG2 4.45Å; I16-V20 WeakPolarHBondContact O-CG2 3.34Å; I16-V20 PolarHBondContact O-N 3.02Å; I17-V20 PolarHBondContact O-N 3.46Å; I18-V20 VanDerWaalsContact C-N 3.35Å; I18-V20 PolarHBondContact O-N 3.2Å; V20-I22 PolarHBondContact O-N 2.97Å; V20-L23 PolarHBondContact O-N 3.44Å; V20-V24 HydrophobicContact CG1-CG2 4.4Å; V20-V24 WeakPolarHBondContact O-CG2 3.34Å; V20-V24 PolarHBondContact O-N 3.43Å |
| 21 | I | 73.1 | Confident | 69.5 | Low | 108 Ų | 108 | 90 Ų | 90 | 55% | 0.554 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.2 | -44.4 | 178.3 | -66.4 | 167 | 0 | 0 | 0 | 110.9 | I17 I18 V24 A25 | I17-I21 HydrophobicContact CG2-CD1 3.89Å; I17-I21 WeakPolarHBondContact O-CG1 3.29Å; I17-I21 PolarHBondContact O-N 3.47Å; I18-I21 PolarHBondContact O-N 3.04Å; I21-V24 PolarHBondContact O-N 2.94Å; I21-A25 WeakPolarHBondContact O-CB 3.49Å; I21-A25 PolarHBondContact O-N 3.12Å |
| 22 | I | 74.7 | Confident | 68.9 | Low | 100 Ų | 100 | 90.1 Ų | 90.1 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 178.5 | -65.9 | 169.4 | 0 | 0 | 0 | 110.9 | I18 G19 V20 A25 S26 | I18-I22 HydrophobicContact CG2-CD1 3.78Å; I18-I22 HydrophobicContact CG2-CG1 4.42Å; I18-I22 WeakPolarHBondContact O-CG1 3.33Å; I18-I22 PolarHBondContact O-N 3.32Å; G19-I22 PolarHBondContact O-N 3.43Å; V20-I22 PolarHBondContact O-N 2.97Å; I22-A25 PolarHBondContact O-N 3.28Å; I22-S26 VanDerWaalsContact O-CB 3.29Å; I22-S26 WeakPolarHBondContact O-CB 3.34Å; I22-S26 PolarHBondContact O-N 3.02Å; I22-S26 PolarHBondContact O-OG 3.15Å |
| 23 | L | 74.8 | Confident | 68.5 | Low | 132 Ų | 132 | 95 Ų | 95 | 69% | 0.691 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.7 | -45.2 | 178.7 | -171.2 | 69.2 | 0 | 0 | 0 | 111.6 | G19 V20 S26 G27 | G19-L23 WeakPolarHBondContact O-CB 3.35Å; G19-L23 PolarHBondContact O-N 2.96Å; V20-L23 PolarHBondContact O-N 3.44Å; L23-S26 PolarHBondContact O-N 3.3Å; L23-G27 PolarHBondContact O-N 3.13Å |
| 24 | V | 67.3 | Low | 68.3 | Low | 87 Ų | 87 | 90.1 Ų | 90.1 | 53% | 0.527 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64 | -45.4 | 177.5 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | V20 I21 S26 G27 L28 | V20-V24 HydrophobicContact CG1-CG2 4.4Å; V20-V24 WeakPolarHBondContact O-CG2 3.34Å; V20-V24 PolarHBondContact O-N 3.43Å; I21-V24 PolarHBondContact O-N 2.94Å; V24-S26 VanDerWaalsContact C-N 3.33Å; V24-S26 PolarHBondContact O-N 3.44Å; V24-G27 PolarHBondContact O-N 2.96Å; V24-L28 HydrophobicContact CG1-CD1 4.16Å; V24-L28 WeakPolarHBondContact O-CG 3.46Å; V24-L28 PolarHBondContact O-N 3.41Å; V24-L28 VanDerWaalsContact O-N 3.1Å |
| 25 | A | 64.5 | Low | 67.5 | Low | 61 Ų | 61 | 92.7 Ų | 92.7 | 50% | 0.504 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I21 I22 L28 | I21-A25 WeakPolarHBondContact O-CB 3.49Å; I21-A25 PolarHBondContact O-N 3.12Å; I22-A25 PolarHBondContact O-N 3.28Å; A25-L28 PolarHBondContact O-N 2.71Å |
| 26 | S | 67.3 | Low | 67 | Low | 76 Ų | 76 | 93.9 Ų | 93.9 | 53% | 0.531 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.6 | -34.4 | 177.3 | -55.5 | 0 | 0 | 0 | 0 | 112.1 | I22 L23 V24 P30 | I22-S26 VanDerWaalsContact O-CB 3.29Å; I22-S26 WeakPolarHBondContact O-CB 3.34Å; I22-S26 PolarHBondContact O-N 3.02Å; I22-S26 PolarHBondContact O-OG 3.15Å; L23-S26 PolarHBondContact O-N 3.3Å; V24-S26 VanDerWaalsContact C-N 3.33Å; V24-S26 PolarHBondContact O-N 3.44Å; S26-P30 WeakPolarHBondContact O-CD 3.01Å |
| 27 | G | 61.1 | Low | 66.3 | Low | 39 Ų | 39 | 96.1 Ų | 96.1 | 40% | 0.402 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.3 | -26.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L23 V24 P30 | L23-G27 PolarHBondContact O-N 3.13Å; V24-G27 PolarHBondContact O-N 2.96Å; G27-P30 WeakPolarHBondContact O-CD 3.42Å |
| 28 | L | 60.9 | Low | 65.5 | Low | 102 Ų | 102 | 93 Ų | 93 | 53% | 0.534 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -75.6 | -32.6 | 178.5 | -72.6 | 169 | 0 | 0 | 0 | 113.2 | V24 A25 L31 H32 | V24-L28 HydrophobicContact CG1-CD1 4.16Å; V24-L28 WeakPolarHBondContact O-CG 3.46Å; V24-L28 PolarHBondContact O-N 3.41Å; V24-L28 VanDerWaalsContact O-N 3.1Å; A25-L28 PolarHBondContact O-N 2.71Å; L28-L31 PolarHBondContact O-N 3.46Å; L28-H32 WeakPolarHBondContact O-CB 3.36Å; L28-H32 PolarHBondContact O-N 2.92Å |
| 29 | G | 59.2 | Low | 64.6 | Low | 39 Ų | 39 | 92 Ų | 92 | 40% | 0.402 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -56.7 | -48.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R33 | G29-R33 PolarHBondContact O-N 2.82Å; G29-R33 VanDerWaalsContact O-N 3.1Å |
| 30 | P | 59.7 | Low | 64.3 | Low | 87 Ų | 87 | 95 Ų | 95 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.5 | -41.9 | 175.8 | -23.3 | 31.8 | 0 | 0 | 0 | 113.3 | S26 G27 R33 S34 | S26-P30 WeakPolarHBondContact O-CD 3.01Å; G27-P30 WeakPolarHBondContact O-CD 3.42Å; P30-R33 PolarHBondContact O-N 3.3Å; P30-S34 PolarHBondContact O-N 3.1Å |
| 31 | L | 60.3 | Low | 63.7 | Low | 107 Ų | 107 | 99.9 Ų | 99.9 | 56% | 0.56 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.4 | -44.9 | 178 | -87.1 | 161.1 | 0 | 0 | 0 | 111.1 | L28 R33 S34 I35 | L28-L31 PolarHBondContact O-N 3.46Å; L31-R33 PolarHBondContact O-N 2.95Å; L31-S34 PolarHBondContact O-N 3.23Å; L31-I35 WeakPolarHBondContact O-CG1 3.37Å; L31-I35 PolarHBondContact O-N 3.48Å |
| 32 | H | 56 | Low | 63.1 | Low | 131 Ų | 131 | 102 Ų | 102 | 61% | 0.606 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.5 | -42.9 | 178.2 | -169.1 | -102.9 | 0 | 0 | 0 | 111.9 | L28 S34 H36 | L28-H32 WeakPolarHBondContact O-CB 3.36Å; L28-H32 PolarHBondContact O-N 2.92Å; H32-S34 VanDerWaalsContact C-N 3.33Å; H32-S34 PolarHBondContact O-N 3.42Å; H32-H36 VanDerWaalsContact O-CB 3.25Å; H32-H36 WeakPolarHBondContact O-CB 3.32Å; H32-H36 PolarHBondContact O-N 3.44Å |
| 33 | R | 61.5 | Low | 62.6 | Low | 178 Ų | 178 | 101.3 Ų | 101.3 | 67% | 0.672 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.5 | -35.9 | 175.5 | -83.6 | -174.3 | -175.8 | 163.7 | 2.9 | 113.2 | G29 P30 L31 R37 | G29-R33 PolarHBondContact O-N 2.82Å; G29-R33 VanDerWaalsContact O-N 3.1Å; P30-R33 PolarHBondContact O-N 3.3Å; L31-R33 PolarHBondContact O-N 2.95Å; R33-R37 WeakPolarHBondContact O-CG 3.43Å; R33-R37 PolarHBondContact O-N 3.4Å; R33-R37 VanDerWaalsContact O-N 3.12Å |
| 34 | S | 62.5 | Low | 62.4 | Low | 84 Ų | 84 | 99 Ų | 99 | 59% | 0.587 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.7 | -47.7 | 179 | -168.5 | 0 | 0 | 0 | 0 | 111.4 | P30 L31 H32 H36 R37 G38 | P30-S34 PolarHBondContact O-N 3.1Å; L31-S34 PolarHBondContact O-N 3.23Å; H32-S34 VanDerWaalsContact C-N 3.33Å; H32-S34 PolarHBondContact O-N 3.42Å; S34-H36 VanDerWaalsContact C-N 3.35Å; S34-H36 PolarHBondContact O-N 2.91Å; S34-R37 PolarHBondContact O-N 3Å; S34-G38 PolarHBondContact O-N 3.38Å |
| 35 | I | 56.8 | Low | 62.3 | Low | 111 Ų | 111 | 97.7 Ų | 97.7 | 57% | 0.569 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.5 | -44.6 | 177.8 | -64.1 | 167.6 | 0 | 0 | 0 | 110 | L31 R37 G38 V39 | L31-I35 WeakPolarHBondContact O-CG1 3.37Å; L31-I35 PolarHBondContact O-N 3.48Å; I35-R37 PolarHBondContact O-N 2.97Å; I35-G38 PolarHBondContact O-N 2.93Å; I35-V39 HydrophobicContact CG2-CG2 4.24Å; I35-V39 WeakPolarHBondContact O-CG2 3.47Å; I35-V39 PolarHBondContact O-N 3.22Å |
| 36 | H | 62.8 | Low | 62.1 | Low | 98 Ų | 98 | 100.6 Ų | 100.6 | 45% | 0.454 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.1 | -48.2 | 178.8 | -165.3 | -87.9 | 0 | 0 | 0 | 112.1 | H32 S34 G38 V39 E40 | H32-H36 VanDerWaalsContact O-CB 3.25Å; H32-H36 WeakPolarHBondContact O-CB 3.32Å; H32-H36 PolarHBondContact O-N 3.44Å; S34-H36 VanDerWaalsContact C-N 3.35Å; S34-H36 PolarHBondContact O-N 2.91Å; H36-G38 VanDerWaalsContact C-N 3.34Å; H36-G38 PolarHBondContact O-N 3.42Å; H36-V39 PolarHBondContact O-N 3.12Å; H36-E40 IonicContact CE1-OE1 3.9Å; H36-E40 PolarHBondContact CE1-OE1 3.42Å; H36-E40 IonicContact CE1-OE2 3.46Å; H36-E40 IonicContact ND1-OE1 3.29Å; H36-E40 PolarHBondContact ND1-OE1 3.03Å; H36-E40 IonicContact ND1-OE2 2.96Å; H36-E40 PolarHBondContact ND1-OE2 3.46Å; H36-E40 WeakPolarHBondContact O-CB 3.25Å; H36-E40 VanDerWaalsContact O-CG 3.32Å; H36-E40 WeakPolarHBondContact O-CG 3.34Å; H36-E40 PolarHBondContact O-N 3.2Å |
| 37 | R | 64 | Low | 62.1 | Low | 156 Ų | 156 | 102.9 Ų | 102.9 | 59% | 0.589 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.7 | -34.3 | 178.2 | -74.5 | 179.1 | 178.6 | 166.5 | -1.8 | 113 | R33 S34 I35 R41 | R33-R37 WeakPolarHBondContact O-CG 3.43Å; R33-R37 PolarHBondContact O-N 3.4Å; R33-R37 VanDerWaalsContact O-N 3.12Å; S34-R37 PolarHBondContact O-N 3Å; I35-R37 PolarHBondContact O-N 2.97Å; R37-R41 WeakPolarHBondContact O-CG 3.39Å; R37-R41 PolarHBondContact O-N 3.1Å |
| 38 | G | 59.5 | Low | 62.3 | Low | 36 Ų | 36 | 107.5 Ų | 107.5 | 37% | 0.371 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -50.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S34 I35 H36 R41 E42 | S34-G38 PolarHBondContact O-N 3.38Å; I35-G38 PolarHBondContact O-N 2.93Å; H36-G38 VanDerWaalsContact C-N 3.34Å; H36-G38 PolarHBondContact O-N 3.42Å; G38-R41 PolarHBondContact O-N 2.94Å; G38-E42 PolarHBondContact O-N 3.21Å; G38-E42 VanDerWaalsContact O-N 3.13Å |
| 39 | V | 60.4 | Low | 62.4 | Low | 79 Ų | 79 | 110.8 Ų | 110.8 | 48% | 0.479 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 178.2 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | I35 H36 R41 E42 V43 | I35-V39 HydrophobicContact CG2-CG2 4.24Å; I35-V39 WeakPolarHBondContact O-CG2 3.47Å; I35-V39 PolarHBondContact O-N 3.22Å; H36-V39 PolarHBondContact O-N 3.12Å; V39-R41 VanDerWaalsContact C-N 3.32Å; V39-R41 PolarHBondContact O-N 3.44Å; V39-E42 PolarHBondContact O-N 3.12Å; V39-V43 HydrophobicContact CG1-CG2 4.07Å; V39-V43 WeakPolarHBondContact O-CB 3.25Å; V39-V43 VanDerWaalsContact O-CG2 3.25Å; V39-V43 WeakPolarHBondContact O-CG2 3.32Å; V39-V43 PolarHBondContact O-N 3.43Å |
| 40 | E | 66.5 | Low | 62.6 | Low | 103 Ų | 103 | 113.6 Ų | 113.6 | 48% | 0.481 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -56.5 | -44.6 | 176.4 | -78.8 | 175 | 146.6 | 0 | 0 | 112.2 | H36 V43 E44 | H36-E40 IonicContact CE1-OE1 3.9Å; H36-E40 PolarHBondContact CE1-OE1 3.42Å; H36-E40 IonicContact CE1-OE2 3.46Å; H36-E40 IonicContact ND1-OE1 3.29Å; H36-E40 PolarHBondContact ND1-OE1 3.03Å; H36-E40 IonicContact ND1-OE2 2.96Å; H36-E40 PolarHBondContact ND1-OE2 3.46Å; H36-E40 WeakPolarHBondContact O-CB 3.25Å; H36-E40 VanDerWaalsContact O-CG 3.32Å; H36-E40 WeakPolarHBondContact O-CG 3.34Å; H36-E40 PolarHBondContact O-N 3.2Å; E40-V43 PolarHBondContact O-N 2.89Å; E40-E44 WeakPolarHBondContact O-CB 3.34Å; E40-E44 PolarHBondContact O-N 3.24Å |
| 41 | R | 65.1 | Low | 63 | Low | 183 Ų | 183 | 113.3 Ų | 113.3 | 69% | 0.691 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.7 | -39.7 | 178.9 | -71.5 | 175.7 | -171.5 | 174.8 | 2.1 | 112.6 | R37 G38 V39 C45 | R37-R41 WeakPolarHBondContact O-CG 3.39Å; R37-R41 PolarHBondContact O-N 3.1Å; G38-R41 PolarHBondContact O-N 2.94Å; V39-R41 VanDerWaalsContact C-N 3.32Å; V39-R41 PolarHBondContact O-N 3.44Å; R41-C45 WeakPolarHBondContact O-CB 3.32Å; R41-C45 PolarHBondContact O-N 2.9Å |
| 42 | E | 60 | Low | 63.1 | Low | 152 Ų | 152 | 112.5 Ų | 112.5 | 71% | 0.71 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.7 | -43.6 | 176.6 | -74.1 | -164.9 | 167.5 | 0 | 0 | 111.5 | G38 V39 C45 L46 | G38-E42 PolarHBondContact O-N 3.21Å; G38-E42 VanDerWaalsContact O-N 3.13Å; V39-E42 PolarHBondContact O-N 3.12Å; E42-C45 PolarHBondContact O-N 3.36Å; E42-L46 VanDerWaalsContact O-CB 3.32Å; E42-L46 WeakPolarHBondContact O-CB 2.9Å; E42-L46 PolarHBondContact O-N 2.96Å |
| 43 | V | 64.6 | Low | 63.3 | Low | 86 Ų | 86 | 115 Ų | 115 | 52% | 0.521 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 176.4 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | V39 E40 L46 Y47 | V39-V43 HydrophobicContact CG1-CG2 4.07Å; V39-V43 WeakPolarHBondContact O-CB 3.25Å; V39-V43 VanDerWaalsContact O-CG2 3.25Å; V39-V43 WeakPolarHBondContact O-CG2 3.32Å; V39-V43 PolarHBondContact O-N 3.43Å; E40-V43 PolarHBondContact O-N 2.89Å; V43-L46 PolarHBondContact O-N 3.29Å; V43-Y47 VanDerWaalsContact O-CB 3.28Å; V43-Y47 WeakPolarHBondContact O-CB 3.36Å; V43-Y47 PolarHBondContact O-N 2.89Å |
| 44 | E | 71.3 | Confident | 63.5 | Low | 85 Ų | 85 | 110.3 Ų | 110.3 | 40% | 0.397 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 177 | -163.6 | -168.2 | 159 | 0 | 0 | 111.7 | E40 Y47 R48 | E40-E44 WeakPolarHBondContact O-CB 3.34Å; E40-E44 PolarHBondContact O-N 3.24Å; E44-Y47 PolarHBondContact O-N 3.13Å; E44-R48 WeakPolarHBondContact O-CG 3.45Å; E44-R48 PolarHBondContact O-N 3.33Å; E44-R48 IonicContact OE1-CZ 3.21Å; E44-R48 IonicContact OE1-NE 2.73Å; E44-R48 PolarHBondContact OE1-NE 2.86Å; E44-R48 IonicContact OE1-NH2 3.45Å; E44-R48 PolarHBondContact OE1-NH2 3.01Å |
| 45 | C | 64.5 | Low | 63.8 | Low | 58 Ų | 58 | 109.2 Ų | 109.2 | 39% | 0.392 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 176.1 | -168.5 | 0 | 0 | 0 | 0 | 111.6 | R41 E42 Y47 R48 R49 | R41-C45 WeakPolarHBondContact O-CB 3.32Å; R41-C45 PolarHBondContact O-N 2.9Å; E42-C45 PolarHBondContact O-N 3.36Å; C45-Y47 VanDerWaalsContact C-N 3.34Å; C45-R48 PolarHBondContact O-N 3.37Å; C45-R49 PolarHBondContact O-N 3.3Å |
| 46 | L | 60.5 | Low | 64.2 | Low | 122 Ų | 122 | 112.3 Ų | 112.3 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.8 | -43.4 | 175.6 | -172.1 | 70 | 0 | 0 | 0 | 110.7 | E42 V43 R49 L50 | E42-L46 VanDerWaalsContact O-CB 3.32Å; E42-L46 WeakPolarHBondContact O-CB 2.9Å; E42-L46 PolarHBondContact O-N 2.96Å; V43-L46 PolarHBondContact O-N 3.29Å; L46-R49 PolarHBondContact O-N 3.4Å; L46-L50 WeakPolarHBondContact O-CB 3.4Å; L46-L50 PolarHBondContact O-N 3.21Å |
| 47 | Y | 68 | Low | 64.4 | Low | 125 Ų | 125 | 112.9 Ų | 112.9 | 49% | 0.49 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 176.4 | -170.5 | -93.9 | 0 | 0 | 0 | 111.2 | V43 E44 C45 R49 L50 H51 | V43-Y47 VanDerWaalsContact O-CB 3.28Å; V43-Y47 WeakPolarHBondContact O-CB 3.36Å; V43-Y47 PolarHBondContact O-N 2.89Å; E44-Y47 PolarHBondContact O-N 3.13Å; C45-Y47 VanDerWaalsContact C-N 3.34Å; Y47-R49 PolarHBondContact O-N 3.33Å; Y47-L50 PolarHBondContact O-N 2.85Å; Y47-H51 WeakPolarHBondContact O-CB 3.28Å; Y47-H51 PolarHBondContact O-N 3.21Å |
| 48 | R | 65.2 | Low | 64.3 | Low | 135 Ų | 135 | 109.6 Ų | 109.6 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 175.7 | -74.3 | -173.9 | -166.4 | -170.9 | 5.7 | 112.6 | E44 C45 N52 | E44-R48 WeakPolarHBondContact O-CG 3.45Å; E44-R48 PolarHBondContact O-N 3.33Å; E44-R48 IonicContact OE1-CZ 3.21Å; E44-R48 IonicContact OE1-NE 2.73Å; E44-R48 PolarHBondContact OE1-NE 2.86Å; E44-R48 IonicContact OE1-NH2 3.45Å; E44-R48 PolarHBondContact OE1-NH2 3.01Å; C45-R48 PolarHBondContact O-N 3.37Å; R48-N52 WeakPolarHBondContact O-CB 3.5Å; R48-N52 PolarHBondContact O-N 2.7Å; R48-N52 PolarHBondContact O-ND2 3.37Å |
| 49 | R | 62.6 | Low | 64.8 | Low | 171 Ų | 171 | 113.8 Ų | 113.8 | 65% | 0.645 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.3 | -44 | 176.6 | -75.3 | -174.2 | -150.1 | 177.4 | 7.5 | 112 | C45 L46 Y47 N52 R53 | C45-R49 PolarHBondContact O-N 3.3Å; L46-R49 PolarHBondContact O-N 3.4Å; Y47-R49 PolarHBondContact O-N 3.33Å; R49-N52 PolarHBondContact O-N 2.95Å; R49-R53 PolarHBondContact O-N 2.88Å; R49-R53 VanDerWaalsContact O-N 3.07Å |
| 50 | L | 62.1 | Low | 65.1 | Low | 98 Ų | 98 | 117.5 Ų | 117.5 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 178.1 | -169.4 | 73 | 0 | 0 | 0 | 110.4 | L46 Y47 N52 R53 I54 | L46-L50 WeakPolarHBondContact O-CB 3.4Å; L46-L50 PolarHBondContact O-N 3.21Å; Y47-L50 PolarHBondContact O-N 2.85Å; L50-N52 PolarHBondContact O-N 2.81Å; L50-R53 WeakPolarHBondContact O-CB 3.04Å; L50-R53 PolarHBondContact O-N 2.73Å; L50-R53 VanDerWaalsContact O-N 3.11Å; L50-I54 HydrophobicContact CD2-CD1 4.38Å; L50-I54 HydrophobicContact CG-CD1 4.01Å; L50-I54 WeakPolarHBondContact O-CG1 3.48Å; L50-I54 PolarHBondContact O-N 2.88Å |
| 51 | H | 68.5 | Low | 65.1 | Low | 81 Ų | 81 | 117 Ų | 117 | 38% | 0.375 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57.7 | -47.1 | 176.5 | -169.4 | 82.9 | 0 | 0 | 0 | 111.7 | Y47 R53 I54 L55 | Y47-H51 WeakPolarHBondContact O-CB 3.28Å; Y47-H51 PolarHBondContact O-N 3.21Å; H51-R53 VanDerWaalsContact C-N 3.3Å; H51-R53 PolarHBondContact O-N 3.41Å; H51-I54 PolarHBondContact O-N 3.27Å; H51-L55 VanDerWaalsContact CD2-CD1 3.49Å; H51-L55 WeakPolarHBondContact CD2-CD1 3.18Å; H51-L55 WeakPolarHBondContact NE2-CD1 3.13Å; H51-L55 WeakPolarHBondContact O-CB 3.49Å; H51-L55 WeakPolarHBondContact O-CG 3.36Å; H51-L55 PolarHBondContact O-N 2.98Å |
| 52 | N | 63.2 | Low | 65.4 | Low | 91 Ų | 91 | 112 Ų | 112 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -33.6 | 176.5 | -75.5 | -18.6 | 0 | 0 | 0 | 113.2 | R48 R49 L50 R56 | R48-N52 WeakPolarHBondContact O-CB 3.5Å; R48-N52 PolarHBondContact O-N 2.7Å; R48-N52 PolarHBondContact O-ND2 3.37Å; R49-N52 PolarHBondContact O-N 2.95Å; L50-N52 PolarHBondContact O-N 2.81Å; N52-R56 WeakPolarHBondContact O-CG 3.43Å; N52-R56 PolarHBondContact O-N 3.32Å; N52-R56 VanDerWaalsContact O-N 3.12Å |
| 53 | R | 59.1 | Low | 66 | Low | 183 Ų | 183 | 108.9 Ų | 108.9 | 69% | 0.691 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.2 | -44 | 173.7 | -76.3 | -177.5 | 177.8 | -176.9 | -0.5 | 111.7 | R49 L50 H51 R56 L57 | R49-R53 PolarHBondContact O-N 2.88Å; R49-R53 VanDerWaalsContact O-N 3.07Å; L50-R53 WeakPolarHBondContact O-CB 3.04Å; L50-R53 PolarHBondContact O-N 2.73Å; L50-R53 VanDerWaalsContact O-N 3.11Å; H51-R53 VanDerWaalsContact C-N 3.3Å; H51-R53 PolarHBondContact O-N 3.41Å; R53-R56 PolarHBondContact O-N 3.11Å; R53-L57 WeakPolarHBondContact O-CB 3.37Å; R53-L57 WeakPolarHBondContact O-CG 3.38Å; R53-L57 PolarHBondContact O-N 3.42Å |
| 54 | I | 66.9 | Low | 66.2 | Low | 79 Ų | 79 | 109.9 Ų | 109.9 | 41% | 0.405 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 177.4 | -67 | 167.5 | 0 | 0 | 0 | 110.3 | L50 H51 R56 L57 N58 | L50-I54 HydrophobicContact CD2-CD1 4.38Å; L50-I54 HydrophobicContact CG-CD1 4.01Å; L50-I54 WeakPolarHBondContact O-CG1 3.48Å; L50-I54 PolarHBondContact O-N 2.88Å; H51-I54 PolarHBondContact O-N 3.27Å; I54-R56 VanDerWaalsContact C-N 3.35Å; I54-R56 PolarHBondContact O-N 3.07Å; I54-L57 PolarHBondContact O-N 3.43Å; I54-N58 WeakPolarHBondContact O-CB 3.47Å; I54-N58 PolarHBondContact O-N 3.46Å |
| 55 | L | 68.7 | Low | 66.2 | Low | 61 Ų | 61 | 112.1 Ų | 112.1 | 32% | 0.319 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59 | -44.7 | 176.1 | -77 | 176.5 | 0 | 0 | 0 | 112.1 | H51 H59 Y113 | H51-L55 VanDerWaalsContact CD2-CD1 3.49Å; H51-L55 WeakPolarHBondContact CD2-CD1 3.18Å; H51-L55 WeakPolarHBondContact NE2-CD1 3.13Å; H51-L55 WeakPolarHBondContact O-CB 3.49Å; H51-L55 WeakPolarHBondContact O-CG 3.36Å; H51-L55 PolarHBondContact O-N 2.98Å; L55-H59 WeakPolarHBondContact O-CB 3.18Å; L55-H59 PolarHBondContact O-N 2.9Å; L55-Y113 HydrophobicContact CD2-CE1 4.31Å |
| 56 | R | 64.3 | Low | 66.4 | Low | 177 Ų | 177 | 111.2 Ų | 111.2 | 67% | 0.668 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.3 | -46.1 | 175.9 | -76.1 | -179 | -175.4 | -172.5 | 1.4 | 111.6 | N52 R53 I54 H59 Y60 | N52-R56 WeakPolarHBondContact O-CG 3.43Å; N52-R56 PolarHBondContact O-N 3.32Å; N52-R56 VanDerWaalsContact O-N 3.12Å; R53-R56 PolarHBondContact O-N 3.11Å; I54-R56 VanDerWaalsContact C-N 3.35Å; I54-R56 PolarHBondContact O-N 3.07Å; R56-H59 PolarHBondContact O-N 3.35Å; R56-Y60 HydrophobicContact CB-CD2 4.45Å; R56-Y60 HydrophobicContact CB-CE2 4.35Å; R56-Y60 WeakPolarHBondContact O-CD2 3.38Å; R56-Y60 PolarHBondContact O-N 2.89Å |
| 57 | L | 66.7 | Low | 66.9 | Low | 109 Ų | 109 | 108.7 Ų | 108.7 | 57% | 0.571 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.2 | -46.9 | 178.4 | -76.7 | 168.1 | 0 | 0 | 0 | 111.6 | R53 I54 H59 Y60 V61 | R53-L57 WeakPolarHBondContact O-CB 3.37Å; R53-L57 WeakPolarHBondContact O-CG 3.38Å; R53-L57 PolarHBondContact O-N 3.42Å; I54-L57 PolarHBondContact O-N 3.43Å; L57-H59 VanDerWaalsContact C-N 3.3Å; L57-H59 PolarHBondContact O-N 3.43Å; L57-Y60 PolarHBondContact O-N 3.3Å; L57-V61 VanDerWaalsContact O-CG2 3.31Å; L57-V61 WeakPolarHBondContact O-CG2 3.47Å; L57-V61 PolarHBondContact O-N 2.8Å |
| 58 | N | 63.8 | Low | 66.9 | Low | 88 Ų | 88 | 105.3 Ų | 105.3 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 175.6 | -81.3 | -16.6 | 0 | 0 | 0 | 111.6 | I54 V61 F62 | I54-N58 WeakPolarHBondContact O-CB 3.47Å; I54-N58 PolarHBondContact O-N 3.46Å; N58-V61 PolarHBondContact O-N 2.88Å; N58-F62 VanDerWaalsContact O-CB 3.27Å; N58-F62 WeakPolarHBondContact O-CB 3.49Å; N58-F62 PolarHBondContact O-N 3.32Å |
| 59 | H | 68.5 | Low | 67.1 | Low | 124 Ų | 124 | 100.4 Ų | 100.4 | 57% | 0.574 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64 | -42.1 | 176 | -172 | -161.4 | 0 | 0 | 0 | 112.2 | L55 R56 L57 F62 L63 | L55-H59 WeakPolarHBondContact O-CB 3.18Å; L55-H59 PolarHBondContact O-N 2.9Å; R56-H59 PolarHBondContact O-N 3.35Å; L57-H59 VanDerWaalsContact C-N 3.3Å; L57-H59 PolarHBondContact O-N 3.43Å; H59-F62 PolarHBondContact O-N 3.42Å; H59-L63 WeakPolarHBondContact O-CB 3.44Å; H59-L63 PolarHBondContact O-N 2.8Å |
| 60 | Y | 67.3 | Low | 67.5 | Low | 156 Ų | 156 | 96 Ų | 96 | 61% | 0.612 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.7 | -44.5 | 175.7 | -79.4 | -66 | 0 | 0 | 0 | 112.5 | R56 L57 F62 L63 I64 | R56-Y60 HydrophobicContact CB-CD2 4.45Å; R56-Y60 HydrophobicContact CB-CE2 4.35Å; R56-Y60 WeakPolarHBondContact O-CD2 3.38Å; R56-Y60 PolarHBondContact O-N 2.89Å; L57-Y60 PolarHBondContact O-N 3.3Å; Y60-F62 VanDerWaalsContact C-N 3.33Å; Y60-F62 PolarHBondContact O-N 2.79Å; Y60-L63 PolarHBondContact O-N 2.74Å; Y60-I64 VanDerWaalsContact O-CG1 3.3Å; Y60-I64 WeakPolarHBondContact O-CG1 3.31Å; Y60-I64 PolarHBondContact O-N 2.82Å |
| 61 | V | 67.1 | Low | 67.9 | Low | 94 Ų | 94 | 98.3 Ų | 98.3 | 57% | 0.57 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.8 | -45.4 | 177 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | L57 N58 L63 I64 Y65 | L57-V61 VanDerWaalsContact O-CG2 3.31Å; L57-V61 WeakPolarHBondContact O-CG2 3.47Å; L57-V61 PolarHBondContact O-N 2.8Å; N58-V61 PolarHBondContact O-N 2.88Å; V61-L63 VanDerWaalsContact C-N 3.34Å; V61-L63 PolarHBondContact O-N 2.86Å; V61-I64 PolarHBondContact O-N 2.84Å; V61-Y65 WeakPolarHBondContact O-CB 3.3Å; V61-Y65 PolarHBondContact O-N 3.22Å |
| 62 | F | 71 | Confident | 67.8 | Low | 76 Ų | 76 | 99.9 Ų | 99.9 | 33% | 0.333 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.2 | -43.8 | 175.3 | -177.9 | -95.6 | 0 | 0 | 0 | 112.1 | N58 H59 Y60 Y65 T66 V105 A109 | N58-F62 VanDerWaalsContact O-CB 3.27Å; N58-F62 WeakPolarHBondContact O-CB 3.49Å; N58-F62 PolarHBondContact O-N 3.32Å; H59-F62 PolarHBondContact O-N 3.42Å; Y60-F62 VanDerWaalsContact C-N 3.33Å; Y60-F62 PolarHBondContact O-N 2.79Å; F62-Y65 PolarHBondContact O-N 3.12Å; F62-T66 HydrophobicContact CD1-CG2 4.12Å; F62-T66 HydrophobicContact CE1-CG2 3.72Å; F62-T66 HydrophobicContact CE2-CG2 4.17Å; F62-T66 HydrophobicContact CZ-CG2 3.75Å; F62-T66 WeakPolarHBondContact O-CB 3.37Å; F62-T66 WeakPolarHBondContact O-CG2 3.27Å; F62-T66 PolarHBondContact O-N 2.89Å; F62-T66 PolarHBondContact O-OG1 2.8Å; F62-V105 HydrophobicContact CD2-CG1 4.29Å; F62-V105 HydrophobicContact CE2-CG1 3.37Å; F62-V105 HydrophobicContact CZ-CG1 3.93Å; F62-A109 HydrophobicContact CD2-CB 3.51Å; F62-A109 HydrophobicContact CE2-CB 3.3Å; F62-A109 HydrophobicContact CZ-CB 4.28Å |
| 63 | L | 71.7 | Confident | 67.9 | Low | 87 Ų | 87 | 97.2 Ų | 97.2 | 46% | 0.455 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 179.1 | -169.6 | 136.6 | 0 | 0 | 0 | 112 | H59 Y60 V61 Y65 T66 V67 | H59-L63 WeakPolarHBondContact O-CB 3.44Å; H59-L63 PolarHBondContact O-N 2.8Å; Y60-L63 PolarHBondContact O-N 2.74Å; V61-L63 VanDerWaalsContact C-N 3.34Å; V61-L63 PolarHBondContact O-N 2.86Å; L63-Y65 VanDerWaalsContact C-N 3.31Å; L63-Y65 PolarHBondContact O-N 3.23Å; L63-T66 WeakPolarHBondContact CA-OG1 3.06Å; L63-T66 PolarHBondContact O-N 3.24Å; L63-T66 PolarHBondContact O-OG1 2.86Å; L63-V67 HydrophobicContact CD2-CG2 4.35Å; L63-V67 WeakPolarHBondContact O-CB 3.32Å; L63-V67 VanDerWaalsContact O-CG2 3.23Å; L63-V67 WeakPolarHBondContact O-CG2 3.23Å; L63-V67 PolarHBondContact O-N 2.9Å |
| 64 | I | 69.6 | Low | 68.5 | Low | 107 Ų | 107 | 90 Ų | 90 | 55% | 0.549 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 175.8 | -68.4 | 165.5 | 0 | 0 | 0 | 110.5 | Y60 V61 S68 | Y60-I64 VanDerWaalsContact O-CG1 3.3Å; Y60-I64 WeakPolarHBondContact O-CG1 3.31Å; Y60-I64 PolarHBondContact O-N 2.82Å; V61-I64 PolarHBondContact O-N 2.84Å; I64-S68 WeakPolarHBondContact O-CB 3.42Å; I64-S68 PolarHBondContact O-N 3.48Å; I64-S68 PolarHBondContact O-OG 3.44Å |
| 65 | Y | 70.1 | Confident | 68.5 | Low | 133 Ų | 133 | 90.6 Ų | 90.6 | 52% | 0.522 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.2 | -47 | -179.3 | -170.6 | -98.9 | 0 | 0 | 0 | 111.9 | V61 F62 L63 V67 S68 L69 V105 | V61-Y65 WeakPolarHBondContact O-CB 3.3Å; V61-Y65 PolarHBondContact O-N 3.22Å; F62-Y65 PolarHBondContact O-N 3.12Å; L63-Y65 VanDerWaalsContact C-N 3.31Å; L63-Y65 PolarHBondContact O-N 3.23Å; Y65-V67 PolarHBondContact O-N 3.23Å; Y65-S68 PolarHBondContact O-N 3.45Å; Y65-L69 VanDerWaalsContact O-CB 3.27Å; Y65-L69 WeakPolarHBondContact O-CB 3.36Å; Y65-L69 PolarHBondContact O-N 2.96Å; Y65-V105 HydrophobicContact CD1-CG2 4.46Å; Y65-V105 HydrophobicContact CE1-CG2 3.92Å |
| 66 | T | 69.3 | Low | 68.5 | Low | 39 Ų | 39 | 91.9 Ų | 91.9 | 24% | 0.239 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 178.6 | 50.2 | 0 | 0 | 0 | 0 | 112.9 | F62 L63 T70 V105 | F62-T66 HydrophobicContact CD1-CG2 4.12Å; F62-T66 HydrophobicContact CE1-CG2 3.72Å; F62-T66 HydrophobicContact CE2-CG2 4.17Å; F62-T66 HydrophobicContact CZ-CG2 3.75Å; F62-T66 WeakPolarHBondContact O-CB 3.37Å; F62-T66 WeakPolarHBondContact O-CG2 3.27Å; F62-T66 PolarHBondContact O-N 2.89Å; F62-T66 PolarHBondContact O-OG1 2.8Å; L63-T66 WeakPolarHBondContact CA-OG1 3.06Å; L63-T66 PolarHBondContact O-N 3.24Å; L63-T66 PolarHBondContact O-OG1 2.86Å; T66-T70 WeakPolarHBondContact O-CB 3.33Å; T66-T70 PolarHBondContact O-N 3.39Å; T66-T70 PolarHBondContact O-OG1 3Å; T66-V105 HydrophobicContact CG2-CG1 4.41Å |
| 67 | V | 71.7 | Confident | 68.5 | Low | 68 Ų | 68 | 85.2 Ų | 85.2 | 41% | 0.412 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.9 | -46 | 173.9 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | L63 Y65 L69 T70 K71 | L63-V67 HydrophobicContact CD2-CG2 4.35Å; L63-V67 WeakPolarHBondContact O-CB 3.32Å; L63-V67 VanDerWaalsContact O-CG2 3.23Å; L63-V67 WeakPolarHBondContact O-CG2 3.23Å; L63-V67 PolarHBondContact O-N 2.9Å; Y65-V67 PolarHBondContact O-N 3.23Å; V67-L69 VanDerWaalsContact C-N 3.35Å; V67-L69 PolarHBondContact O-N 2.86Å; V67-T70 PolarHBondContact O-N 2.68Å; V67-K71 WeakPolarHBondContact O-CG 3.47Å; V67-K71 PolarHBondContact O-N 3.49Å |
| 68 | S | 67.5 | Low | 68.6 | Low | 54 Ų | 54 | 85.9 Ų | 85.9 | 38% | 0.378 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 179.4 | -58 | 0 | 0 | 0 | 0 | 111.6 | I64 Y65 K71 M72 | I64-S68 WeakPolarHBondContact O-CB 3.42Å; I64-S68 PolarHBondContact O-N 3.48Å; I64-S68 PolarHBondContact O-OG 3.44Å; Y65-S68 PolarHBondContact O-N 3.45Å; S68-K71 PolarHBondContact O-N 2.98Å; S68-M72 PolarHBondContact O-N 2.91Å |
| 69 | L | 70.2 | Confident | 68.5 | Low | 32 Ų | 32 | 84.5 Ų | 84.5 | 17% | 0.168 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -61.6 | -46 | 175 | -174.8 | 69.4 | 0 | 0 | 0 | 111.2 | Y65 V67 K71 M72 V73 T101 | Y65-L69 VanDerWaalsContact O-CB 3.27Å; Y65-L69 WeakPolarHBondContact O-CB 3.36Å; Y65-L69 PolarHBondContact O-N 2.96Å; V67-L69 VanDerWaalsContact C-N 3.35Å; V67-L69 PolarHBondContact O-N 2.86Å; L69-K71 VanDerWaalsContact C-N 3.3Å; L69-K71 PolarHBondContact O-N 2.89Å; L69-M72 HydrophobicContact CD1-CE 4.44Å; L69-M72 PolarHBondContact O-N 3.19Å; L69-V73 VanDerWaalsContact O-CG2 3.28Å; L69-V73 WeakPolarHBondContact O-CG2 3.41Å; L69-V73 PolarHBondContact O-N 2.93Å; L69-T101 HydrophobicContact CD1-CG2 4.05Å; L69-T101 HydrophobicContact CD2-CG2 3.56Å; L69-T101 HydrophobicContact CG-CG2 4.44Å |
| 70 | T | 70.9 | Confident | 68.1 | Low | 78 Ų | 78 | 80.7 Ų | 80.7 | 48% | 0.479 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.6 | -39.1 | 178.7 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | T66 V67 V73 G74 | T66-T70 WeakPolarHBondContact O-CB 3.33Å; T66-T70 PolarHBondContact O-N 3.39Å; T66-T70 PolarHBondContact O-OG1 3Å; V67-T70 PolarHBondContact O-N 2.68Å; T70-V73 PolarHBondContact O-N 2.95Å; T70-G74 PolarHBondContact O-N 3.37Å |
| 71 | K | 70 | Confident | 67.8 | Low | 147 Ų | 147 | 83.3 Ų | 83.3 | 64% | 0.639 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.9 | -48.8 | 173.5 | -75 | -177.1 | 178.3 | -178.1 | 0 | 111.9 | V67 S68 L69 V73 G74 T75 | V67-K71 WeakPolarHBondContact O-CG 3.47Å; V67-K71 PolarHBondContact O-N 3.49Å; S68-K71 PolarHBondContact O-N 2.98Å; L69-K71 VanDerWaalsContact C-N 3.3Å; L69-K71 PolarHBondContact O-N 2.89Å; K71-V73 VanDerWaalsContact C-N 3.27Å; K71-V73 PolarHBondContact O-N 3.37Å; K71-G74 PolarHBondContact O-N 3.47Å; K71-G74 VanDerWaalsContact O-N 3.16Å; K71-T75 PolarHBondContact O-N 3.44Å; K71-T75 PolarHBondContact O-OG1 3.43Å; K71-T75 VanDerWaalsContact O-OG1 3.12Å |
| 72 | M | 66.7 | Low | 67.4 | Low | 115 Ų | 115 | 81.7 Ų | 81.7 | 57% | 0.567 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59 | -39.4 | 177.7 | -75.4 | -171.2 | -74.5 | 0 | 0 | 112 | S68 L69 T75 L76 | S68-M72 PolarHBondContact O-N 2.91Å; L69-M72 HydrophobicContact CD1-CE 4.44Å; L69-M72 PolarHBondContact O-N 3.19Å; M72-T75 WeakPolarHBondContact CA-OG1 2.83Å; M72-T75 PolarHBondContact O-OG1 2.77Å; M72-L76 WeakPolarHBondContact O-CB 3.27Å; M72-L76 PolarHBondContact O-N 3.32Å |
| 73 | V | 65.3 | Low | 66.4 | Low | 34 Ų | 34 | 85.5 Ų | 85.5 | 21% | 0.206 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -69.5 | -42.7 | 175.5 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | L69 T70 K71 T75 L76 A77 W98 | L69-V73 VanDerWaalsContact O-CG2 3.28Å; L69-V73 WeakPolarHBondContact O-CG2 3.41Å; L69-V73 PolarHBondContact O-N 2.93Å; T70-V73 PolarHBondContact O-N 2.95Å; K71-V73 VanDerWaalsContact C-N 3.27Å; K71-V73 PolarHBondContact O-N 3.37Å; V73-T75 VanDerWaalsContact C-N 3.3Å; V73-T75 PolarHBondContact O-N 3.37Å; V73-L76 PolarHBondContact O-N 2.97Å; V73-L76 VanDerWaalsContact O-N 3.17Å; V73-A77 WeakPolarHBondContact O-CB 3.06Å; V73-A77 PolarHBondContact O-N 2.91Å; V73-W98 HydrophobicContact CB-CE3 4.14Å; V73-W98 HydrophobicContact CB-CZ3 3.76Å; V73-W98 HydrophobicContact CG1-CE3 3.68Å; V73-W98 HydrophobicContact CG1-CZ3 3.63Å; V73-W98 HydrophobicContact CG2-CE3 3.83Å; V73-W98 HydrophobicContact CG2-CZ3 3.7Å |
| 74 | G | 70.5 | Confident | 65.4 | Low | 33 Ų | 33 | 85.6 Ų | 85.6 | 34% | 0.34 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -57.1 | -45.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T70 K71 A77 I78 | T70-G74 PolarHBondContact O-N 3.37Å; K71-G74 PolarHBondContact O-N 3.47Å; K71-G74 VanDerWaalsContact O-N 3.16Å; G74-A77 PolarHBondContact O-N 2.99Å; G74-I78 WeakPolarHBondContact O-CD1 3.38Å; G74-I78 VanDerWaalsContact O-CG1 3.24Å; G74-I78 WeakPolarHBondContact O-CG1 3.49Å; G74-I78 PolarHBondContact O-N 2.66Å |
| 75 | T | 68.5 | Low | 64.7 | Low | 90 Ų | 90 | 83.9 Ų | 83.9 | 55% | 0.552 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.7 | -41.1 | 175.4 | 50.6 | 0 | 0 | 0 | 0 | 112.3 | K71 M72 V73 I78 A79 | K71-T75 PolarHBondContact O-N 3.44Å; K71-T75 PolarHBondContact O-OG1 3.43Å; K71-T75 VanDerWaalsContact O-OG1 3.12Å; M72-T75 WeakPolarHBondContact CA-OG1 2.83Å; M72-T75 PolarHBondContact O-OG1 2.77Å; V73-T75 VanDerWaalsContact C-N 3.3Å; V73-T75 PolarHBondContact O-N 3.37Å; T75-I78 PolarHBondContact O-N 3.14Å; T75-A79 WeakPolarHBondContact O-CB 3.33Å; T75-A79 PolarHBondContact O-N 3.4Å |
| 76 | L | 67.8 | Low | 63.9 | Low | 89 Ų | 89 | 88.1 Ų | 88.1 | 47% | 0.466 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 177.4 | -176.1 | 64 | 0 | 0 | 0 | 111.6 | M72 V73 I78 A79 V80 | M72-L76 WeakPolarHBondContact O-CB 3.27Å; M72-L76 PolarHBondContact O-N 3.32Å; V73-L76 PolarHBondContact O-N 2.97Å; V73-L76 VanDerWaalsContact O-N 3.17Å; L76-I78 PolarHBondContact O-N 2.73Å; L76-A79 PolarHBondContact O-N 3.35Å; L76-V80 HydrophobicContact CD1-CG2 4.47Å; L76-V80 VanDerWaalsContact O-CG2 3.27Å; L76-V80 WeakPolarHBondContact O-CG2 3.45Å; L76-V80 PolarHBondContact O-N 2.85Å |
| 77 | A | 65.4 | Low | 63.3 | Low | 37 Ų | 37 | 95.5 Ų | 95.5 | 31% | 0.306 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V73 G74 R81 | V73-A77 WeakPolarHBondContact O-CB 3.06Å; V73-A77 PolarHBondContact O-N 2.91Å; G74-A77 PolarHBondContact O-N 2.99Å; A77-R81 WeakPolarHBondContact O-CG 3.25Å; A77-R81 PolarHBondContact O-N 2.91Å |
| 78 | I | 66.9 | Low | 62.5 | Low | 123 Ų | 123 | 95.6 Ų | 95.6 | 63% | 0.631 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.3 | -45.4 | 173.6 | -65.4 | 163 | 0 | 0 | 0 | 110.2 | G74 T75 L76 V80 R81 G82 | G74-I78 WeakPolarHBondContact O-CD1 3.38Å; G74-I78 VanDerWaalsContact O-CG1 3.24Å; G74-I78 WeakPolarHBondContact O-CG1 3.49Å; G74-I78 PolarHBondContact O-N 2.66Å; T75-I78 PolarHBondContact O-N 3.14Å; L76-I78 PolarHBondContact O-N 2.73Å; I78-V80 VanDerWaalsContact C-N 3.33Å; I78-V80 PolarHBondContact O-N 3.16Å; I78-R81 PolarHBondContact O-N 3.12Å; I78-G82 PolarHBondContact O-N 2.92Å |
| 79 | A | 63.6 | Low | 61.8 | Low | 59 Ų | 59 | 100.3 Ų | 100.3 | 49% | 0.488 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T75 L76 G82 | T75-A79 WeakPolarHBondContact O-CB 3.33Å; T75-A79 PolarHBondContact O-N 3.4Å; L76-A79 PolarHBondContact O-N 3.35Å; A79-G82 PolarHBondContact O-N 3.33Å |
| 80 | V | 59.1 | Low | 61.1 | Low | 43 Ų | 43 | 100.5 Ų | 100.5 | 26% | 0.261 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.3 | -41.9 | 175.9 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | L76 I78 G82 H83 | L76-V80 HydrophobicContact CD1-CG2 4.47Å; L76-V80 VanDerWaalsContact O-CG2 3.27Å; L76-V80 WeakPolarHBondContact O-CG2 3.45Å; L76-V80 PolarHBondContact O-N 2.85Å; I78-V80 VanDerWaalsContact C-N 3.33Å; I78-V80 PolarHBondContact O-N 3.16Å; V80-G82 VanDerWaalsContact C-N 3.27Å; V80-G82 PolarHBondContact O-N 2.98Å; V80-H83 PolarHBondContact O-N 3.29Å; V80-H83 VanDerWaalsContact O-N 3.08Å |
| 81 | R | 61.1 | Low | 60.4 | Low | 212 Ų | 212 | 101.8 Ų | 101.8 | 80% | 0.8 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.9 | -31.2 | 175 | -78.5 | -177.2 | -177 | 167.4 | 1.9 | 113 | A77 I78 H83 | A77-R81 WeakPolarHBondContact O-CG 3.25Å; A77-R81 PolarHBondContact O-N 2.91Å; I78-R81 PolarHBondContact O-N 3.12Å; R81-H83 PolarHBondContact O-N 3.38Å |
| 82 | G | 57.8 | Low | 59.9 | Low | 60 Ų | 60 | 101.8 Ų | 101.8 | 62% | 0.619 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -12.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I78 A79 V80 P84 | I78-G82 PolarHBondContact O-N 2.92Å; A79-G82 PolarHBondContact O-N 3.33Å; V80-G82 VanDerWaalsContact C-N 3.27Å; V80-G82 PolarHBondContact O-N 2.98Å; G82-P84 VanDerWaalsContact C-CD 3.44Å; G82-P84 WeakPolarHBondContact O-CD 3.28Å |
| 83 | H | 51.4 | Low | 59.5 | Low | 155 Ų | 155 | 101.1 Ų | 101.1 | 72% | 0.718 | 56% | 0.558 | S | S | * | * | trans | -104 | 85.6 | 171.5 | -101.9 | -66 | 0 | 0 | 0 | 111 | V80 R81 G85 | V80-H83 PolarHBondContact O-N 3.29Å; V80-H83 VanDerWaalsContact O-N 3.08Å; R81-H83 PolarHBondContact O-N 3.38Å; H83-G85 PolarHBondContact O-N 2.95Å | ||
| 84 | P | 51 | Low | 59.2 | Low | 90 Ų | 90 | 101 Ų | 101 | 58% | 0.584 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 2.9 | -176.2 | 24.2 | -33.3 | 0 | 0 | 0 | 115.8 | G82 | G82-P84 VanDerWaalsContact C-CD 3.44Å; G82-P84 WeakPolarHBondContact O-CD 3.28Å |
| 85 | G | 54 | Low | 58.6 | Low | 71 Ų | 71 | 108.2 Ų | 108.2 | 73% | 0.732 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -4.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | H83 | H83-G85 PolarHBondContact O-N 2.95Š|
| 86 | R | 54.1 | Low | 58.3 | Low | 222 Ų | 222 | 106.3 Ų | 106.3 | 84% | 0.838 | 56% | 0.564 | S | S | * | * | trans | -139.7 | 56.2 | -177.1 | -89.9 | -172.5 | 169.1 | 166.6 | -2.8 | 113.1 | G88 S90 | R86-G88 VanDerWaalsContact C-N 3.33Å; R86-G88 PolarHBondContact O-N 2.91Å; R86-S90 PolarHBondContact O-OG 2.89Å | ||
| 87 | R | 55.4 | Low | 58.1 | Low | 194 Ų | 194 | 106.3 Ų | 106.3 | 73% | 0.732 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 2.9 | -170.2 | -75 | -176.8 | 175.9 | -179.3 | -0.2 | 117.6 | ||
| 88 | G | 54.9 | Low | 57.7 | Low | 69 Ų | 69 | 109.8 Ų | 109.8 | 71% | 0.711 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -31.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | R86 | R86-G88 VanDerWaalsContact C-N 3.33Å; R86-G88 PolarHBondContact O-N 2.91Å |
| 89 | H | 52.6 | Low | 57.5 | Low | 154 Ų | 154 | 107.9 Ų | 107.9 | 71% | 0.713 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | -27.2 | -165.3 | -144.3 | 78 | 0 | 0 | 0 | 113.4 | L93 | H89-L93 PolarHBondContact O-N 3.42Š|
| 90 | S | 55 | Low | 57.5 | Low | 35 Ų | 35 | 112.2 Ų | 112.2 | 25% | 0.245 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -68.2 | -41.8 | -179.4 | 49 | 0 | 0 | 0 | 0 | 112.3 | R86 H92 L93 T94 | R86-S90 PolarHBondContact O-OG 2.89Å; S90-H92 VanDerWaalsContact C-N 3.3Å; S90-H92 PolarHBondContact O-N 3.21Å; S90-L93 PolarHBondContact O-N 3.49Å; S90-L93 VanDerWaalsContact O-N 3.09Å; S90-T94 PolarHBondContact O-N 2.98Å; S90-T94 PolarHBondContact O-OG1 3.37Å |
| 91 | D | 57.9 | Low | 57.5 | Low | 106 Ų | 106 | 112.1 Ų | 112.1 | 57% | 0.567 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.9 | -39 | -175.9 | -68.6 | -13.5 | 0 | 0 | 0 | 112.2 | R95 | D91-R95 VanDerWaalsContact O-CB 3.31Å; D91-R95 WeakPolarHBondContact O-CB 3.25Å; D91-R95 PolarHBondContact O-N 2.93Å |
| 92 | H | 57.9 | Low | 57.2 | Low | 146 Ų | 146 | 104.6 Ų | 104.6 | 68% | 0.676 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -70.7 | -37.1 | 176.8 | -157.5 | -81.4 | 0 | 0 | 0 | 111.8 | S90 S96 | S90-H92 VanDerWaalsContact C-N 3.3Å; S90-H92 PolarHBondContact O-N 3.21Å; H92-S96 VanDerWaalsContact O-CB 3.25Å; H92-S96 WeakPolarHBondContact O-CB 3.2Å; H92-S96 PolarHBondContact O-N 2.88Å |
| 93 | L | 59.7 | Low | 57.1 | Low | 101 Ų | 101 | 110.2 Ų | 110.2 | 53% | 0.529 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.9 | -45.7 | 177.7 | -149.3 | 113.2 | 0 | 0 | 0 | 110.9 | H89 S90 R95 S96 I97 | H89-L93 PolarHBondContact O-N 3.42Å; S90-L93 PolarHBondContact O-N 3.49Å; S90-L93 VanDerWaalsContact O-N 3.09Å; L93-R95 PolarHBondContact O-N 3.03Å; L93-S96 PolarHBondContact O-N 3.46Å; L93-I97 HydrophobicContact CD2-CD1 3.9Å; L93-I97 VanDerWaalsContact O-CG1 3.29Å; L93-I97 WeakPolarHBondContact O-CG1 3.4Å; L93-I97 PolarHBondContact O-N 2.91Å |
| 94 | T | 58.6 | Low | 57.5 | Low | 33 Ų | 33 | 108.8 Ų | 108.8 | 20% | 0.202 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -61.9 | -43 | 176.7 | -51.3 | 0 | 0 | 0 | 0 | 111.3 | S90 I97 W98 | S90-T94 PolarHBondContact O-N 2.98Å; S90-T94 PolarHBondContact O-OG1 3.37Å; T94-I97 PolarHBondContact O-N 3.48Å; T94-W98 WeakPolarHBondContact O-CB 3.36Å; T94-W98 PolarHBondContact O-N 3.29Å |
| 95 | R | 58.7 | Low | 57.5 | Low | 184 Ų | 184 | 105.6 Ų | 105.6 | 69% | 0.694 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.1 | -35.9 | 177.3 | -164.5 | 174.2 | -175.5 | 170.9 | 0.8 | 112.7 | D91 L93 W98 I99 | D91-R95 VanDerWaalsContact O-CB 3.31Å; D91-R95 WeakPolarHBondContact O-CB 3.25Å; D91-R95 PolarHBondContact O-N 2.93Å; L93-R95 PolarHBondContact O-N 3.03Å; R95-W98 WeakPolarHBondContact O-CB 3.32Å; R95-W98 PolarHBondContact O-N 2.88Å; R95-I99 HydrophobicContact CG-CD1 4.31Å; R95-I99 WeakPolarHBondContact O-CG1 3.42Å; R95-I99 PolarHBondContact O-N 3.44Å |
| 96 | S | 62.3 | Low | 57.5 | Low | 49 Ų | 49 | 106.8 Ų | 106.8 | 34% | 0.343 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.4 | -43.6 | 176.1 | -175.8 | 0 | 0 | 0 | 0 | 112 | H92 L93 W98 I99 K100 | H92-S96 VanDerWaalsContact O-CB 3.25Å; H92-S96 WeakPolarHBondContact O-CB 3.2Å; H92-S96 PolarHBondContact O-N 2.88Å; L93-S96 PolarHBondContact O-N 3.46Å; S96-W98 VanDerWaalsContact C-N 3.31Å; S96-W98 PolarHBondContact O-N 3.46Å; S96-I99 PolarHBondContact O-N 2.98Å; S96-K100 PolarHBondContact O-N 2.95Å |
| 97 | I | 61.9 | Low | 57.5 | Low | 90 Ų | 90 | 102.2 Ų | 102.2 | 46% | 0.462 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 173.3 | -66.6 | 165.1 | 0 | 0 | 0 | 109.4 | L93 T94 I99 K100 T101 | L93-I97 HydrophobicContact CD2-CD1 3.9Å; L93-I97 VanDerWaalsContact O-CG1 3.29Å; L93-I97 WeakPolarHBondContact O-CG1 3.4Å; L93-I97 PolarHBondContact O-N 2.91Å; T94-I97 PolarHBondContact O-N 3.48Å; I97-I99 PolarHBondContact O-N 3.17Å; I97-K100 PolarHBondContact O-N 2.78Å; I97-T101 WeakPolarHBondContact O-CB 3.3Å; I97-T101 PolarHBondContact O-N 3.4Å; I97-T101 PolarHBondContact O-OG1 3.05Å |
| 98 | W | 57.2 | Low | 57.3 | Low | 110 Ų | 110 | 99.5 Ų | 99.5 | 42% | 0.417 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.1 | -52.1 | 175.9 | -177.9 | -87.8 | 0 | 0 | 0 | 113 | V73 T94 R95 S96 K100 T101 V102 | V73-W98 HydrophobicContact CB-CE3 4.14Å; V73-W98 HydrophobicContact CB-CZ3 3.76Å; V73-W98 HydrophobicContact CG1-CE3 3.68Å; V73-W98 HydrophobicContact CG1-CZ3 3.63Å; V73-W98 HydrophobicContact CG2-CE3 3.83Å; V73-W98 HydrophobicContact CG2-CZ3 3.7Å; T94-W98 WeakPolarHBondContact O-CB 3.36Å; T94-W98 PolarHBondContact O-N 3.29Å; R95-W98 WeakPolarHBondContact O-CB 3.32Å; R95-W98 PolarHBondContact O-N 2.88Å; S96-W98 VanDerWaalsContact C-N 3.31Å; S96-W98 PolarHBondContact O-N 3.46Å; W98-K100 VanDerWaalsContact C-N 3.34Å; W98-K100 PolarHBondContact O-N 2.97Å; W98-T101 PolarHBondContact O-N 3.39Å; W98-V102 HydrophobicContact CD2-CG2 4.4Å; W98-V102 HydrophobicContact CG-CG2 4.45Å; W98-V102 WeakPolarHBondContact O-CB 3.45Å; W98-V102 VanDerWaalsContact O-CG2 3.3Å; W98-V102 WeakPolarHBondContact O-CG2 3.31Å; W98-V102 PolarHBondContact O-N 3.41Å |
| 99 | I | 63.8 | Low | 56.8 | Low | 82 Ų | 82 | 98.2 Ų | 98.2 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | -178.3 | -66.6 | 165.6 | 0 | 0 | 0 | 110.9 | R95 S96 I97 R103 | R95-I99 HydrophobicContact CG-CD1 4.31Å; R95-I99 WeakPolarHBondContact O-CG1 3.42Å; R95-I99 PolarHBondContact O-N 3.44Å; S96-I99 PolarHBondContact O-N 2.98Å; I97-I99 PolarHBondContact O-N 3.17Å; I99-R103 WeakPolarHBondContact O-CB 3.37Å; I99-R103 WeakPolarHBondContact O-CG 3.44Å; I99-R103 PolarHBondContact O-N 2.8Å |
| 100 | K | 62.2 | Low | 56.4 | Low | 151 Ų | 151 | 95.4 Ų | 95.4 | 66% | 0.657 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.5 | -47.1 | 176.2 | -82.5 | -173.5 | 177.5 | -178.7 | 0 | 111.4 | S96 I97 W98 R103 L104 | S96-K100 PolarHBondContact O-N 2.95Å; I97-K100 PolarHBondContact O-N 2.78Å; W98-K100 VanDerWaalsContact C-N 3.34Å; W98-K100 PolarHBondContact O-N 2.97Å; K100-R103 PolarHBondContact O-N 2.94Å; K100-L104 WeakPolarHBondContact O-CB 3.34Å; K100-L104 PolarHBondContact O-N 2.87Å |
| 101 | T | 59.3 | Low | 56 | Low | 41 Ų | 41 | 96.5 Ų | 96.5 | 25% | 0.252 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | -179.5 | -52.7 | 0 | 0 | 0 | 0 | 111.4 | L69 I97 W98 R103 L104 V105 | L69-T101 HydrophobicContact CD1-CG2 4.05Å; L69-T101 HydrophobicContact CD2-CG2 3.56Å; L69-T101 HydrophobicContact CG-CG2 4.44Å; I97-T101 WeakPolarHBondContact O-CB 3.3Å; I97-T101 PolarHBondContact O-N 3.4Å; I97-T101 PolarHBondContact O-OG1 3.05Å; W98-T101 PolarHBondContact O-N 3.39Å; T101-R103 PolarHBondContact O-N 2.94Å; T101-L104 PolarHBondContact O-N 3.4Å; T101-V105 HydrophobicContact CG2-CG2 4.33Å; T101-V105 WeakPolarHBondContact O-CB 3.37Å; T101-V105 WeakPolarHBondContact O-CG2 3.47Å; T101-V105 PolarHBondContact O-N 3.4Å |
| 102 | V | 56.1 | Low | 55.3 | Low | 53 Ų | 53 | 97.3 Ų | 97.3 | 32% | 0.321 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 176.9 | 173 | 0 | 0 | 0 | 0 | 111.3 | W98 V105 I106 | W98-V102 HydrophobicContact CD2-CG2 4.4Å; W98-V102 HydrophobicContact CG-CG2 4.45Å; W98-V102 WeakPolarHBondContact O-CB 3.45Å; W98-V102 VanDerWaalsContact O-CG2 3.3Å; W98-V102 WeakPolarHBondContact O-CG2 3.31Å; W98-V102 PolarHBondContact O-N 3.41Å; V102-V105 PolarHBondContact O-N 3Å; V102-I106 HydrophobicContact CG1-CD1 3.73Å; V102-I106 HydrophobicContact CG1-CG1 4.33Å; V102-I106 WeakPolarHBondContact O-CG1 3.41Å; V102-I106 PolarHBondContact O-N 3.37Å |
| 103 | R | 56.1 | Low | 54.4 | Low | 178 Ų | 178 | 97.2 Ų | 97.2 | 67% | 0.672 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.4 | -45.1 | 175.1 | -85.6 | -175.8 | 169.7 | 173.3 | -2.1 | 112.4 | I99 K100 T101 V105 I106 L107 | I99-R103 WeakPolarHBondContact O-CB 3.37Å; I99-R103 WeakPolarHBondContact O-CG 3.44Å; I99-R103 PolarHBondContact O-N 2.8Å; K100-R103 PolarHBondContact O-N 2.94Å; T101-R103 PolarHBondContact O-N 2.94Å; R103-V105 VanDerWaalsContact C-N 3.31Å; R103-V105 PolarHBondContact O-N 3.45Å; R103-I106 PolarHBondContact O-N 3.43Å; R103-L107 WeakPolarHBondContact O-CB 3.46Å; R103-L107 VanDerWaalsContact O-CG 3.31Å; R103-L107 WeakPolarHBondContact O-CG 3.41Å; R103-L107 PolarHBondContact O-N 3.32Å |
| 104 | L | 58.1 | Low | 53.1 | Low | 126 Ų | 126 | 103.3 Ų | 103.3 | 66% | 0.66 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.5 | -41.9 | 178.8 | -126.8 | 136.3 | 0 | 0 | 0 | 110.9 | K100 T101 L107 D108 | K100-L104 WeakPolarHBondContact O-CB 3.34Å; K100-L104 PolarHBondContact O-N 2.87Å; T101-L104 PolarHBondContact O-N 3.4Å; L104-L107 PolarHBondContact O-N 3.28Å; L104-D108 VanDerWaalsContact O-CB 3.25Å; L104-D108 WeakPolarHBondContact O-CB 3.36Å; L104-D108 PolarHBondContact O-N 2.95Å |
| 105 | V | 52.5 | Low | 52.2 | Low | 22 Ų | 22 | 110 Ų | 110 | 13% | 0.133 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -68.1 | -41.7 | 179.2 | 169.9 | 0 | 0 | 0 | 0 | 112.3 | F62 Y65 T66 T101 V102 R103 A109 | F62-V105 HydrophobicContact CD2-CG1 4.29Å; F62-V105 HydrophobicContact CE2-CG1 3.37Å; F62-V105 HydrophobicContact CZ-CG1 3.93Å; Y65-V105 HydrophobicContact CD1-CG2 4.46Å; Y65-V105 HydrophobicContact CE1-CG2 3.92Å; T66-V105 HydrophobicContact CG2-CG1 4.41Å; T101-V105 HydrophobicContact CG2-CG2 4.33Å; T101-V105 WeakPolarHBondContact O-CB 3.37Å; T101-V105 WeakPolarHBondContact O-CG2 3.47Å; T101-V105 PolarHBondContact O-N 3.4Å; V102-V105 PolarHBondContact O-N 3Å; R103-V105 VanDerWaalsContact C-N 3.31Å; R103-V105 PolarHBondContact O-N 3.45Å; V105-A109 WeakPolarHBondContact O-CB 3.48Å; V105-A109 PolarHBondContact O-N 3.24Å |
| 106 | I | 54 | Low | 50.9 | Low | 97 Ų | 97 | 105.1 Ų | 105.1 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | 176 | -68 | 169.2 | 0 | 0 | 0 | 110.4 | V102 R103 I110 | V102-I106 HydrophobicContact CG1-CD1 3.73Å; V102-I106 HydrophobicContact CG1-CG1 4.33Å; V102-I106 WeakPolarHBondContact O-CG1 3.41Å; V102-I106 PolarHBondContact O-N 3.37Å; R103-I106 PolarHBondContact O-N 3.43Å; I106-I110 HydrophobicContact CG2-CD1 4.26Å; I106-I110 WeakPolarHBondContact O-CD1 3.24Å; I106-I110 VanDerWaalsContact O-CG1 3.25Å; I106-I110 WeakPolarHBondContact O-CG1 3.48Å; I106-I110 PolarHBondContact O-N 3.41Å; I106-I110 VanDerWaalsContact O-N 3.14Å |
| 107 | L | 53.9 | Low | 49.8 | Very low | 125 Ų | 125 | 108.2 Ų | 108.2 | 65% | 0.654 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.3 | -40.5 | -179.7 | -71.9 | 170 | 0 | 0 | 0 | 112.3 | R103 L104 I110 | R103-L107 WeakPolarHBondContact O-CB 3.46Å; R103-L107 VanDerWaalsContact O-CG 3.31Å; R103-L107 WeakPolarHBondContact O-CG 3.41Å; R103-L107 PolarHBondContact O-N 3.32Å; L104-L107 PolarHBondContact O-N 3.28Å; L107-I110 PolarHBondContact O-N 3.49Å |
| 108 | D | 49.7 | Very low | 48.8 | Very low | 137 Ų | 137 | 109.2 Ų | 109.2 | 73% | 0.733 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -71.4 | -34.4 | 177.9 | -160.6 | 54.6 | 0 | 0 | 0 | 111.7 | L104 I110 | L104-D108 VanDerWaalsContact O-CB 3.25Å; L104-D108 WeakPolarHBondContact O-CB 3.36Å; L104-D108 PolarHBondContact O-N 2.95Å; D108-I110 VanDerWaalsContact C-N 3.27Å; D108-I110 PolarHBondContact O-N 2.98Å |
| 109 | A | 45.6 | Very low | 47.9 | Very low | 42 Ų | 42 | 107.4 Ų | 107.4 | 35% | 0.347 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.2 | 6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | F62 V105 P111 | F62-A109 HydrophobicContact CD2-CB 3.51Å; F62-A109 HydrophobicContact CE2-CB 3.3Å; F62-A109 HydrophobicContact CZ-CB 4.28Å; V105-A109 WeakPolarHBondContact O-CB 3.48Å; V105-A109 PolarHBondContact O-N 3.24Å; A109-P111 WeakPolarHBondContact O-CD 3.44Å |
| 110 | I | 43.6 | Very low | 46.7 | Very low | 96 Ų | 96 | 108.6 Ų | 108.6 | 49% | 0.492 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -93.1 | 74.7 | 154.7 | -59 | 156.3 | 0 | 0 | 0 | 105.1 | I106 L107 D108 T112 | I106-I110 HydrophobicContact CG2-CD1 4.26Å; I106-I110 WeakPolarHBondContact O-CD1 3.24Å; I106-I110 VanDerWaalsContact O-CG1 3.25Å; I106-I110 WeakPolarHBondContact O-CG1 3.48Å; I106-I110 PolarHBondContact O-N 3.41Å; I106-I110 VanDerWaalsContact O-N 3.14Å; L107-I110 PolarHBondContact O-N 3.49Å; D108-I110 VanDerWaalsContact C-N 3.27Å; D108-I110 PolarHBondContact O-N 2.98Å; I110-T112 PolarHBondContact O-N 2.98Å |
| 111 | P | 46.7 | Very low | 45.7 | Very low | 57 Ų | 57 | 106.8 Ų | 106.8 | 37% | 0.37 | 57% | 0.568 | S | S | . | * | trans | -56.6 | 123.5 | 163.9 | 27.1 | -30.4 | 0 | 0 | 0 | 103.8 | A109 Y113 | A109-P111 WeakPolarHBondContact O-CD 3.44Å; P111-Y113 HydrophobicContact CG-CE2 4.38Å; P111-Y113 WeakPolarHBondContact O-CD2 3.27Å; P111-Y113 PolarHBondContact O-N 2.88Å | ||
| 112 | T | 43.4 | Very low | 44.7 | Very low | 124 Ų | 124 | 113.2 Ų | 113.2 | 76% | 0.761 | 60% | 0.6 | S | S | * | * | trans | -43.6 | 97.1 | 175 | 11.8 | 0 | 0 | 0 | 0 | 106.9 | I110 R114 | I110-T112 PolarHBondContact O-N 2.98Å; T112-R114 PolarHBondContact O-N 2.97Å | ||
| 113 | Y | 40 | Very low | 43.7 | Very low | 144 Ų | 144 | 114.9 Ų | 114.9 | 57% | 0.565 | 61% | 0.614 | S | S | * | * | trans | -67.8 | 73 | 168.8 | -70 | -91.3 | 0 | 0 | 0 | 104 | L55 P111 F115 | L55-Y113 HydrophobicContact CD2-CE1 4.31Å; P111-Y113 HydrophobicContact CG-CE2 4.38Å; P111-Y113 WeakPolarHBondContact O-CD2 3.27Å; P111-Y113 PolarHBondContact O-N 2.88Å; Y113-F115 WeakPolarHBondContact O-CD2 3.29Å; Y113-F115 PolarHBondContact O-N 3.49Å | ||
| 114 | R | 31.4 | Very low | 42.8 | Very low | 229 Ų | 229 | 113.9 Ų | 113.9 | 86% | 0.864 | 62% | 0.621 | S | S | * | * | trans | -65.9 | 86.2 | 154.9 | -81.8 | -171.2 | 176.1 | 179.6 | 0.1 | 103.2 | T112 C116 | T112-R114 PolarHBondContact O-N 2.97Å; R114-C116 VanDerWaalsContact C-N 3.31Å; R114-C116 PolarHBondContact O-N 3.47Å | ||
| 115 | F | 39 | Very low | 41.7 | Very low | 173 Ų | 173 | 112.6 Ų | 112.6 | 76% | 0.759 | 62% | 0.62 | S | S | * | * | trans | -39.8 | 104.6 | 159.6 | -82.8 | -97.1 | 0 | 0 | 0 | 105.7 | Y113 P117 | Y113-F115 WeakPolarHBondContact O-CD2 3.29Å; Y113-F115 PolarHBondContact O-N 3.49Å; F115-P117 VanDerWaalsContact C-N 3.32Å; F115-P117 WeakPolarHBondContact O-CD 3.31Å; F115-P117 VanDerWaalsContact O-N 3.08Å | ||
| 116 | C | 32.2 | Very low | 41.1 | Very low | 81 Ų | 81 | 115.7 Ų | 115.7 | 55% | 0.547 | 65% | 0.649 | S | S | . | * | trans | -54.4 | 113.4 | 146.2 | -77 | 0 | 0 | 0 | 0 | 103.1 | R114 V118 | R114-C116 VanDerWaalsContact C-N 3.31Å; R114-C116 PolarHBondContact O-N 3.47Å; C116-V118 VanDerWaalsContact C-N 3.32Å; C116-V118 PolarHBondContact O-N 3.28Å | ||
| 117 | P | 38.6 | Very low | 40.5 | Very low | 115 Ų | 115 | 118.6 Ų | 118.6 | 75% | 0.747 | 66% | 0.664 | S | S | * | * | trans | -57.8 | 109.4 | 177.1 | 23.8 | -30.4 | 0 | 0 | 0 | 104.9 | F115 A119 | F115-P117 VanDerWaalsContact C-N 3.32Å; F115-P117 WeakPolarHBondContact O-CD 3.31Å; F115-P117 VanDerWaalsContact O-N 3.08Å; P117-A119 PolarHBondContact O-N 3.46Å | ||
| 118 | V | 41.1 | Very low | 39.5 | Very low | 111 Ų | 111 | 116.1 Ų | 116.1 | 67% | 0.673 | 67% | 0.669 | S | S | * | * | trans | -58.2 | 98.7 | 156.7 | 178 | 0 | 0 | 0 | 0 | 101.6 | C116 P120 | C116-V118 VanDerWaalsContact C-N 3.32Å; C116-V118 PolarHBondContact O-N 3.28Å; V118-P120 WeakPolarHBondContact O-CD 3.25Å | ||
| 119 | A | 38 | Very low | 38.9 | Very low | 71 Ų | 71 | 113.5 Ų | 113.5 | 59% | 0.587 | 67% | 0.666 | S | S | * | * | trans | -50.7 | 114 | 167 | 0 | 0 | 0 | 0 | 0 | 103.8 | P117 D121 | P117-A119 PolarHBondContact O-N 3.46Å; A119-D121 VanDerWaalsContact C-N 3.27Å; A119-D121 PolarHBondContact O-N 2.94Å | ||
| 120 | P | 38.9 | Very low | 38.5 | Very low | 107 Ų | 107 | 116.6 Ų | 116.6 | 70% | 0.695 | 69% | 0.685 | S | S | * | * | trans | -63.3 | 103.8 | 177 | 24.4 | -29.1 | 0 | 0 | 0 | 104.5 | V118 L122 | V118-P120 WeakPolarHBondContact O-CD 3.25Å; P120-L122 PolarHBondContact O-N 3.3Å | ||
| 121 | D | 41.3 | Very low | 37.8 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 61% | 0.61 | 70% | 0.702 | S | S | * | * | trans | -54.9 | 96.1 | 172.3 | -89.2 | -35.7 | 0 | 0 | 0 | 106.7 | A119 S123 | A119-D121 VanDerWaalsContact C-N 3.27Å; A119-D121 PolarHBondContact O-N 2.94Å; D121-S123 PolarHBondContact O-N 3Å | ||
| 122 | L | 38.2 | Very low | 37.1 | Very low | 176 Ų | 176 | 130.7 Ų | 130.7 | 92% | 0.921 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -66.8 | 20.9 | 170.2 | -100.4 | 156.3 | 0 | 0 | 0 | 111.9 | P120 | P120-L122 PolarHBondContact O-N 3.3Š|
| 123 | S | 35.8 | Very low | 36.6 | Very low | 87 Ų | 87 | 132.5 Ų | 132.5 | 61% | 0.608 | 73% | 0.729 | S | S | * | * | trans | -152.7 | 78.7 | 172.7 | 46.9 | 0 | 0 | 0 | 0 | 109.4 | D121 P125 | D121-S123 PolarHBondContact O-N 3Å; S123-P125 VanDerWaalsContact C-CD 3.44Å; S123-P125 WeakPolarHBondContact O-CD 3.03Å | ||
| 124 | L | 36.3 | Very low | 36.5 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | trans | -68.6 | 102 | 141.5 | -88.7 | 104.9 | 0 | 0 | 0 | 107 | A126 | L124-A126 PolarHBondContact O-N 3.37Š| ||
| 125 | P | 35.8 | Very low | 36.7 | Very low | 98 Ų | 98 | 128.3 Ų | 128.3 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | trans | -66.5 | 115.6 | 145.5 | 29.6 | -28.1 | 0 | 0 | 0 | 104.9 | S123 L127 | S123-P125 VanDerWaalsContact C-CD 3.44Å; S123-P125 WeakPolarHBondContact O-CD 3.03Å; P125-L127 PolarHBondContact O-N 3.38Å | ||
| 126 | A | 39 | Very low | 36.5 | Very low | 88 Ų | 88 | 130.1 Ų | 130.1 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | -50.4 | 85.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L124 G128 | L124-A126 PolarHBondContact O-N 3.37Å; A126-G128 PolarHBondContact O-N 3.24Å | ||
| 127 | L | 41.6 | Very low | 36.6 | Very low | 158 Ų | 158 | 130.2 Ų | 130.2 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | trans | -92.1 | 48.1 | 159.8 | -92.2 | 127.3 | 0 | 0 | 0 | 108.9 | P125 | P125-L127 PolarHBondContact O-N 3.38Š| ||
| 128 | G | 34.3 | Very low | 36.3 | Very low | 73 Ų | 73 | 132.9 Ų | 132.9 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | trans | -83.9 | 12.1 | 152.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A126 S130 | A126-G128 PolarHBondContact O-N 3.24Å; G128-S130 PolarHBondContact O-N 2.86Å | ||
| 129 | A | 35.5 | Very low | 35.9 | Very low | 82 Ų | 82 | 135 Ų | 135 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | trans | -76.6 | 67.8 | 166 | 0 | 0 | 0 | 0 | 0 | 109.5 | R131 | A129-R131 PolarHBondContact O-N 3.09Å; A129-R131 VanDerWaalsContact O-N 3.12Å | ||
| 130 | S | 37.2 | Very low | 35.7 | Very low | 107 Ų | 107 | 139.4 Ų | 139.4 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -49.4 | 111.1 | 151.3 | 175.4 | 0 | 0 | 0 | 0 | 108.1 | G128 | G128-S130 PolarHBondContact O-N 2.86Š| ||
| 131 | R | 29.8 | Very low | 35.4 | Very low | 221 Ų | 221 | 139.5 Ų | 139.5 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | -178.8 | 113.5 | 141.8 | -99.2 | 158.1 | -172 | -159 | 3.1 | 111.2 | A129 | A129-R131 PolarHBondContact O-N 3.09Å; A129-R131 VanDerWaalsContact O-N 3.12Å | ||
| 132 | R | 31.6 | Very low | 35 | Very low | 227 Ų | 227 | 141 Ų | 141 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | trans | 57.7 | 105.5 | 138 | -65.2 | -179.9 | 175.3 | 177.5 | -2.9 | 116.2 | ||||
| 133 | L | 32.7 | Very low | 34.6 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | trans | 4 | 105.8 | 132.3 | -74.7 | 150.7 | 0 | 0 | 0 | 112.7 | H135 | L133-H135 PolarHBondContact O-N 3.31Š| ||
| 134 | P | 37.9 | Very low | 35.1 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -68.6 | 88.9 | 156.4 | 27.7 | -28 | 0 | 0 | 0 | 106.2 | F136 | P134-F136 PolarHBondContact O-N 2.9Å; P134-F136 VanDerWaalsContact O-N 3.12Å | ||
| 135 | H | 35.4 | Very low | 35 | Very low | 157 Ų | 157 | 145.5 Ų | 145.5 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -39 | 111.8 | 159.8 | -158.3 | -84.3 | 0 | 0 | 0 | 108.2 | L133 S137 | L133-H135 PolarHBondContact O-N 3.31Å; H135-S137 PolarHBondContact ND1-OG 2.93Å; H135-S137 PolarHBondContact O-N 3.02Å; H135-S137 PolarHBondContact O-OG 3.36Å; H135-S137 VanDerWaalsContact O-OG 3.13Å | ||
| 136 | F | 35.5 | Very low | 35 | Very low | 211 Ų | 211 | 148 Ų | 148 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | trans | -50.1 | 107.4 | 170.1 | -91.2 | -96.9 | 0 | 0 | 0 | 108.3 | P134 | P134-F136 PolarHBondContact O-N 2.9Å; P134-F136 VanDerWaalsContact O-N 3.12Å | ||
| 137 | S | 34.3 | Very low | 34.7 | Very low | 84 Ų | 84 | 151.3 Ų | 151.3 | 59% | 0.587 | 79% | 0.787 | S | S | * | * | trans | -153.3 | 124 | 168.9 | -4 | 0 | 0 | 0 | 0 | 109.8 | H135 | H135-S137 PolarHBondContact ND1-OG 2.93Å; H135-S137 PolarHBondContact O-N 3.02Å; H135-S137 PolarHBondContact O-OG 3.36Å; H135-S137 VanDerWaalsContact O-OG 3.13Å | ||
| 138 | H | 32.1 | Very low | 34.3 | Very low | 171 Ų | 171 | 150.9 Ų | 150.9 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | trans | 78.7 | 85.7 | 160.9 | -86.7 | -94.4 | 0 | 0 | 0 | 119 | H140 | H138-H140 PolarHBondContact O-N 3.08Š| ||
| 139 | L | 33.3 | Very low | 34.3 | Very low | 155 Ų | 155 | 155.8 Ų | 155.8 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | -24 | 113.7 | 124.8 | -120.9 | 100.9 | 0 | 0 | 0 | 111.1 | V141 | L139-V141 HydrophobicContact CD2-CG2 3.95Å; L139-V141 HydrophobicContact CG-CG2 4.46Å | |||
| 140 | H | 32.2 | Very low | 34.3 | Very low | 164 Ų | 164 | 160.7 Ų | 160.7 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -127.5 | 90.3 | 155.6 | -139.7 | 132.7 | 0 | 0 | 0 | 106.1 | H138 H142 | H138-H140 PolarHBondContact O-N 3.08Å; H140-H142 PolarHBondContact O-N 3.27Å | ||
| 141 | V | 34.4 | Very low | 34.1 | Very low | 108 Ų | 108 | 164.6 Ų | 164.6 | 66% | 0.655 | 80% | 0.798 | S | S | * | * | trans | -74.3 | 100.6 | 166.1 | 175 | 0 | 0 | 0 | 0 | 105 | L139 | L139-V141 HydrophobicContact CD2-CG2 3.95Å; L139-V141 HydrophobicContact CG-CG2 4.46Å | ||
| 142 | H | 31.1 | Very low | 34.4 | Very low | 147 Ų | 147 | 160.2 Ų | 160.2 | 68% | 0.681 | 80% | 0.795 | S | S | * | * | trans | -93.7 | 104.1 | 166.1 | -158 | -78.8 | 0 | 0 | 0 | 107.3 | H140 D144 | H140-H142 PolarHBondContact O-N 3.27Å; H142-D144 IonicContact CE1-OD2 3.41Å; H142-D144 PolarHBondContact CE1-OD2 3.21Å | ||
| 143 | H | 30.1 | Very low | 34.6 | Very low | 159 Ų | 159 | 154.7 Ų | 154.7 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -69.7 | 126.4 | 162 | -128.8 | -83.7 | 0 | 0 | 0 | 106.9 | ||||
| 144 | D | 46.3 | Very low | 34.8 | Very low | 210 Ų | 210 | 153.9 Ų | 153.9 | 100% | 1.123 | 78% | 0.784 | S | S | * | * | trans | -170.2 | 0 | 143.1 | -86.2 | -26.5 | 0 | 0 | 0 | 108.9 | H142 | H142-D144 IonicContact CE1-OD2 3.41Å; H142-D144 PolarHBondContact CE1-OD2 3.21Å |
Retrieved 144 of 144 residues in 195.6 ms
(Link to these results)