| 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 | 41.8 | Very low | 41.5 | Very low | 248 Ų | 248 | 121.1 Ų | 121.1 | 100% | 1.222 | 71% | 0.709 | S | S | * | * | 0 | 95.9 | 0 | -74 | 155.2 | 101 | 0 | 0 | 108.7 | |||||
| 2 | A | 41.7 | Very low | 42 | Very low | 102 Ų | 102 | 121.9 Ų | 121.9 | 84% | 0.843 | 70% | 0.697 | S | S | * | * | trans | -169.4 | 35.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 3 | A | 33.3 | Very low | 42.4 | Very low | 96 Ų | 96 | 122.3 Ų | 122.3 | 79% | 0.793 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -134.4 | 7.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 4 | S | 40.6 | Very low | 43.1 | Very low | 110 Ų | 110 | 120.5 Ų | 120.5 | 77% | 0.769 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -108.7 | -2.3 | -173.2 | 54.8 | 0 | 0 | 0 | 0 | 115.8 | ||
| 5 | S | 40.2 | Very low | 43.2 | Very low | 91 Ų | 91 | 119.5 Ų | 119.5 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -94.2 | -10.3 | -174.5 | 56.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 6 | I | 40.3 | Very low | 43.8 | Very low | 120 Ų | 120 | 120.3 Ų | 120.3 | 62% | 0.615 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -87.9 | -32.2 | -169.7 | -62.8 | 173.1 | 0 | 0 | 0 | 112.8 | S8 R9 | I6-S8 PolarHBondContact O-N 3.44Å; I6-R9 PolarHBondContact O-N 3.37Å |
| 7 | S | 44.7 | Very low | 44.4 | Very low | 98 Ų | 98 | 116.2 Ų | 116.2 | 69% | 0.685 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.6 | -28.6 | -176.3 | 59.6 | 0 | 0 | 0 | 0 | 114 | ||
| 8 | S | 45.2 | Very low | 44.9 | Very low | 65 Ų | 65 | 114.7 Ų | 114.7 | 46% | 0.455 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -73.2 | -29.3 | 179.9 | -175.6 | 0 | 0 | 0 | 0 | 113.1 | I6 K12 | I6-S8 PolarHBondContact O-N 3.44Å; S8-K12 WeakPolarHBondContact O-CE 3.47Å; S8-K12 WeakPolarHBondContact O-CG 3.39Å; S8-K12 WeakPolarHBondContact OG-CE 3.34Å |
| 9 | R | 44.2 | Very low | 45.3 | Very low | 180 Ų | 180 | 112.7 Ų | 112.7 | 68% | 0.679 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.2 | -44.5 | -179.7 | -108.7 | 179.2 | -172.5 | -178.8 | 2.6 | 111.8 | I6 G11 K12 H13 | I6-R9 PolarHBondContact O-N 3.37Å; R9-G11 VanDerWaalsContact C-N 3.34Å; R9-G11 PolarHBondContact O-N 3.29Å; R9-K12 PolarHBondContact O-N 3.49Å; R9-H13 PolarHBondContact O-CD2 3.35Å; R9-H13 PolarHBondContact O-N 3.37Å |
| 10 | W | 40.8 | Very low | 45.7 | Very low | 182 Ų | 182 | 113.8 Ų | 113.8 | 69% | 0.689 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.5 | -40.1 | 178.5 | -89.2 | 66.5 | 0 | 0 | 0 | 112.4 | K12 H13 L14 | W10-K12 VanDerWaalsContact C-N 3.29Å; W10-K12 PolarHBondContact O-N 3.41Å; W10-H13 PolarHBondContact O-N 3.34Å; W10-L14 HydrophobicContact CE3-CD1 4.48Å; W10-L14 WeakPolarHBondContact O-CB 3.37Å; W10-L14 VanDerWaalsContact O-CG 3.23Å; W10-L14 WeakPolarHBondContact O-CG 3.47Å; W10-L14 PolarHBondContact O-N 3.38Å |
| 11 | G | 44 | Very low | 46.3 | Very low | 40 Ų | 40 | 111.6 Ų | 111.6 | 41% | 0.412 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -60.3 | -35 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R9 F15 | R9-G11 VanDerWaalsContact C-N 3.34Å; R9-G11 PolarHBondContact O-N 3.29Å; G11-F15 WeakPolarHBondContact O-CB 3.39Å; G11-F15 PolarHBondContact O-N 2.88Å |
| 12 | K | 47.5 | Very low | 46.5 | Very low | 131 Ų | 131 | 100.8 Ų | 100.8 | 57% | 0.57 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -73.3 | -39.8 | 178.4 | -64.1 | 170.6 | -162.6 | -173.8 | 0 | 112 | S8 R9 W10 K16 | S8-K12 WeakPolarHBondContact O-CE 3.47Å; S8-K12 WeakPolarHBondContact O-CG 3.39Å; S8-K12 WeakPolarHBondContact OG-CE 3.34Å; R9-K12 PolarHBondContact O-N 3.49Å; W10-K12 VanDerWaalsContact C-N 3.29Å; W10-K12 PolarHBondContact O-N 3.41Å; K12-K16 VanDerWaalsContact O-CB 3.27Å; K12-K16 WeakPolarHBondContact O-CB 3.22Å; K12-K16 PolarHBondContact O-N 2.86Å |
| 13 | H | 46.8 | Very low | 47.2 | Very low | 127 Ų | 127 | 99.4 Ų | 99.4 | 59% | 0.588 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.2 | -40.2 | 176.6 | -68.9 | -67.2 | 0 | 0 | 0 | 111.8 | R9 W10 K16 A17 | R9-H13 PolarHBondContact O-CD2 3.35Å; R9-H13 PolarHBondContact O-N 3.37Å; W10-H13 PolarHBondContact O-N 3.34Å; H13-K16 PolarHBondContact O-N 2.9Å; H13-A17 WeakPolarHBondContact O-CB 3.36Å; H13-A17 PolarHBondContact O-N 2.82Å |
| 14 | L | 52.1 | Low | 48.2 | Very low | 97 Ų | 97 | 97.7 Ų | 97.7 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 172.9 | -69.5 | 169.8 | 0 | 0 | 0 | 111.2 | W10 K16 A17 I18 | W10-L14 HydrophobicContact CE3-CD1 4.48Å; W10-L14 WeakPolarHBondContact O-CB 3.37Å; W10-L14 VanDerWaalsContact O-CG 3.23Å; W10-L14 WeakPolarHBondContact O-CG 3.47Å; W10-L14 PolarHBondContact O-N 3.38Å; L14-K16 VanDerWaalsContact C-N 3.32Å; L14-K16 PolarHBondContact O-N 3.33Å; L14-A17 PolarHBondContact O-N 3.32Å; L14-I18 WeakPolarHBondContact O-CB 3.44Å; L14-I18 WeakPolarHBondContact O-CD1 3.46Å; L14-I18 WeakPolarHBondContact O-CG1 3.38Å; L14-I18 PolarHBondContact O-N 2.91Å |
| 15 | F | 45.2 | Very low | 48.5 | Very low | 105 Ų | 105 | 93.5 Ų | 93.5 | 46% | 0.461 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 174.8 | -177.1 | -90.6 | 0 | 0 | 0 | 112.1 | G11 L19 | G11-F15 WeakPolarHBondContact O-CB 3.39Å; G11-F15 PolarHBondContact O-N 2.88Å; F15-L19 VanDerWaalsContact O-CB 3.26Å; F15-L19 WeakPolarHBondContact O-CB 3.33Å; F15-L19 PolarHBondContact O-N 3.27Å |
| 16 | K | 52 | Low | 48.9 | Very low | 133 Ų | 133 | 91.7 Ų | 91.7 | 58% | 0.578 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -69.8 | -38.1 | 178.1 | -168 | 174.3 | 175.2 | 178 | 0 | 112.1 | K12 H13 L14 L19 M20 | K12-K16 VanDerWaalsContact O-CB 3.27Å; K12-K16 WeakPolarHBondContact O-CB 3.22Å; K12-K16 PolarHBondContact O-N 2.86Å; H13-K16 PolarHBondContact O-N 2.9Å; L14-K16 VanDerWaalsContact C-N 3.32Å; L14-K16 PolarHBondContact O-N 3.33Å; K16-L19 PolarHBondContact O-N 3.46Å; K16-M20 PolarHBondContact O-N 3.29Å |
| 17 | A | 53.6 | Low | 49.4 | Very low | 50 Ų | 50 | 91.6 Ų | 91.6 | 41% | 0.413 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66 | -45.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | H13 L14 L19 M20 V21 | H13-A17 WeakPolarHBondContact O-CB 3.36Å; H13-A17 PolarHBondContact O-N 2.82Å; L14-A17 PolarHBondContact O-N 3.32Å; A17-L19 VanDerWaalsContact C-N 3.3Å; A17-L19 PolarHBondContact O-N 2.98Å; A17-M20 PolarHBondContact O-N 3.46Å; A17-V21 VanDerWaalsContact O-CG2 3.3Å; A17-V21 WeakPolarHBondContact O-CG2 3.42Å; A17-V21 PolarHBondContact O-N 2.9Å |
| 18 | I | 54.3 | Low | 49.5 | Very low | 90 Ų | 90 | 92.5 Ų | 92.5 | 46% | 0.462 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61 | -41.7 | 174.4 | -67.5 | 161.9 | 0 | 0 | 0 | 110.1 | L14 V21 L22 | L14-I18 WeakPolarHBondContact O-CB 3.44Å; L14-I18 WeakPolarHBondContact O-CD1 3.46Å; L14-I18 WeakPolarHBondContact O-CG1 3.38Å; L14-I18 PolarHBondContact O-N 2.91Å; I18-V21 PolarHBondContact O-N 3.39Å; I18-L22 WeakPolarHBondContact O-CB 3.33Å; I18-L22 PolarHBondContact O-N 3.39Å |
| 19 | L | 52.1 | Low | 49.5 | Very low | 76 Ų | 76 | 93.6 Ų | 93.6 | 40% | 0.398 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 176.7 | -169.2 | 75.1 | 0 | 0 | 0 | 112.1 | F15 K16 A17 L22 V23 | F15-L19 VanDerWaalsContact O-CB 3.26Å; F15-L19 WeakPolarHBondContact O-CB 3.33Å; F15-L19 PolarHBondContact O-N 3.27Å; K16-L19 PolarHBondContact O-N 3.46Å; A17-L19 VanDerWaalsContact C-N 3.3Å; A17-L19 PolarHBondContact O-N 2.98Å; L19-L22 HydrophobicContact CD1-CD2 4.39Å; L19-L22 WeakPolarHBondContact O-CB 3.13Å; L19-L22 PolarHBondContact O-N 3.46Å; L19-V23 WeakPolarHBondContact O-CB 3.19Å; L19-V23 VanDerWaalsContact O-CG2 3.26Å; L19-V23 WeakPolarHBondContact O-CG2 3.45Å; L19-V23 PolarHBondContact O-N 3.27Å |
| 20 | M | 54.6 | Low | 49.5 | Very low | 134 Ų | 134 | 88.4 Ų | 88.4 | 66% | 0.66 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64.8 | -45.1 | 175.6 | -93.1 | -169.2 | 170.6 | 0 | 0 | 112 | K16 A17 L22 V23 A24 | K16-M20 PolarHBondContact O-N 3.29Å; A17-M20 PolarHBondContact O-N 3.46Å; M20-L22 VanDerWaalsContact C-N 3.29Å; M20-L22 PolarHBondContact O-N 2.9Å; M20-V23 PolarHBondContact O-N 3.35Å; M20-A24 WeakPolarHBondContact O-CB 3.18Å; M20-A24 PolarHBondContact O-N 2.81Å |
| 21 | V | 57.4 | Low | 49.8 | Very low | 69 Ų | 69 | 82.4 Ų | 82.4 | 42% | 0.418 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 176.7 | 174.2 | 0 | 0 | 0 | 0 | 110.4 | A17 I18 A24 L25 L151 | A17-V21 VanDerWaalsContact O-CG2 3.3Å; A17-V21 WeakPolarHBondContact O-CG2 3.42Å; A17-V21 PolarHBondContact O-N 2.9Å; I18-V21 PolarHBondContact O-N 3.39Å; V21-A24 PolarHBondContact O-N 3.5Å; V21-L25 VanDerWaalsContact O-CB 3.28Å; V21-L25 WeakPolarHBondContact O-CB 3.45Å; V21-L25 PolarHBondContact O-N 3.36Å; V21-L151 HydrophobicContact CG1-CD1 3.88Å; V21-L151 HydrophobicContact CG1-CD2 4.14Å |
| 22 | L | 46.4 | Very low | 49.6 | Very low | 20 Ų | 20 | 86.1 Ų | 86.1 | 11% | 0.105 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 176.1 | -169.3 | 97.1 | 0 | 0 | 0 | 112 | I18 L19 M20 L25 I26 L155 R158 | I18-L22 WeakPolarHBondContact O-CB 3.33Å; I18-L22 PolarHBondContact O-N 3.39Å; L19-L22 HydrophobicContact CD1-CD2 4.39Å; L19-L22 WeakPolarHBondContact O-CB 3.13Å; L19-L22 PolarHBondContact O-N 3.46Å; M20-L22 VanDerWaalsContact C-N 3.29Å; M20-L22 PolarHBondContact O-N 2.9Å; L22-L25 PolarHBondContact O-N 3.44Å; L22-I26 HydrophobicContact CD2-CD1 4.05Å; L22-I26 HydrophobicContact CG-CD1 3.99Å; L22-I26 WeakPolarHBondContact O-CB 3.47Å; L22-I26 WeakPolarHBondContact O-CD1 3.3Å; L22-I26 VanDerWaalsContact O-CG1 3.28Å; L22-I26 WeakPolarHBondContact O-CG1 3.43Å; L22-I26 PolarHBondContact O-N 3.24Å; L22-L155 HydrophobicContact CB-CD1 4.03Å; L22-L155 HydrophobicContact CD1-CB 4.25Å; L22-L155 HydrophobicContact CD1-CD1 3.14Å; L22-L155 HydrophobicContact CD1-CG 4.17Å; L22-L155 HydrophobicContact CG-CD1 3.3Å; L22-L155 VanDerWaalsContact O-CD1 3.29Å; L22-L155 WeakPolarHBondContact O-CD1 3.4Å; L22-R158 HydrophobicContact CD1-CB 3.57Å; L22-R158 HydrophobicContact CD1-CG 3.8Å; L22-R158 HydrophobicContact CD2-CB 4.16Å; L22-R158 HydrophobicContact CD2-CG 3.51Å; L22-R158 HydrophobicContact CG-CG 4.33Å |
| 23 | V | 57 | Low | 49.2 | Very low | 73 Ų | 73 | 83 Ų | 83 | 44% | 0.442 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 175.5 | 168.7 | 0 | 0 | 0 | 0 | 109.8 | L19 M20 L25 I26 L27 | L19-V23 WeakPolarHBondContact O-CB 3.19Å; L19-V23 VanDerWaalsContact O-CG2 3.26Å; L19-V23 WeakPolarHBondContact O-CG2 3.45Å; L19-V23 PolarHBondContact O-N 3.27Å; M20-V23 PolarHBondContact O-N 3.35Å; V23-L25 VanDerWaalsContact C-N 3.27Å; V23-L25 PolarHBondContact O-N 2.85Å; V23-I26 PolarHBondContact O-N 3.5Å; V23-L27 HydrophobicContact CG1-CD1 3.61Å; V23-L27 WeakPolarHBondContact O-CD1 3.42Å; V23-L27 PolarHBondContact O-N 3.39Å |
| 24 | A | 52.8 | Low | 48.9 | Very low | 61 Ų | 61 | 84.3 Ų | 84.3 | 50% | 0.504 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.1 | -40.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M20 V21 L28 | M20-A24 WeakPolarHBondContact O-CB 3.18Å; M20-A24 PolarHBondContact O-N 2.81Å; V21-A24 PolarHBondContact O-N 3.5Å; A24-L28 WeakPolarHBondContact O-CB 3.37Å; A24-L28 PolarHBondContact O-N 3.45Å |
| 25 | L | 46.6 | Very low | 48.2 | Very low | 21 Ų | 21 | 84 Ų | 84 | 11% | 0.11 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -76.3 | -33.7 | -179.8 | -146.5 | 82.5 | 0 | 0 | 0 | 112.4 | V21 L22 V23 L28 H29 L151 V152 L155 | V21-L25 VanDerWaalsContact O-CB 3.28Å; V21-L25 WeakPolarHBondContact O-CB 3.45Å; V21-L25 PolarHBondContact O-N 3.36Å; L22-L25 PolarHBondContact O-N 3.44Å; V23-L25 VanDerWaalsContact C-N 3.27Å; V23-L25 PolarHBondContact O-N 2.85Å; L25-L28 HydrophobicContact CD1-CD2 4.26Å; L25-L28 PolarHBondContact O-N 3.46Å; L25-H29 WeakPolarHBondContact O-CB 3.29Å; L25-H29 PolarHBondContact O-N 2.91Å; L25-L151 HydrophobicContact CD1-CD2 3.67Å; L25-L151 HydrophobicContact CD1-CG 4.39Å; L25-L151 HydrophobicContact CD2-CB 4.43Å; L25-L151 HydrophobicContact CD2-CD2 3.9Å; L25-L151 HydrophobicContact CD2-CG 3.68Å; L25-L151 HydrophobicContact CG-CD2 4.42Å; L25-V152 HydrophobicContact CD2-CG2 4.47Å; L25-L155 HydrophobicContact CB-CD1 4.02Å; L25-L155 HydrophobicContact CB-CD2 3.85Å; L25-L155 HydrophobicContact CB-CG 4.46Å; L25-L155 HydrophobicContact CD2-CB 3.86Å; L25-L155 HydrophobicContact CD2-CD1 4.37Å; L25-L155 HydrophobicContact CD2-CD2 3.54Å; L25-L155 HydrophobicContact CD2-CG 4.07Å; L25-L155 HydrophobicContact CG-CD2 3.9Å |
| 26 | I | 50.1 | Low | 47.6 | Very low | 54 Ų | 54 | 87.2 Ų | 87.2 | 28% | 0.277 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 170.6 | -76 | 155.9 | 0 | 0 | 0 | 110.1 | L22 V23 L28 H29 S30 L155 I159 | L22-I26 HydrophobicContact CD2-CD1 4.05Å; L22-I26 HydrophobicContact CG-CD1 3.99Å; L22-I26 WeakPolarHBondContact O-CB 3.47Å; L22-I26 WeakPolarHBondContact O-CD1 3.3Å; L22-I26 VanDerWaalsContact O-CG1 3.28Å; L22-I26 WeakPolarHBondContact O-CG1 3.43Å; L22-I26 PolarHBondContact O-N 3.24Å; V23-I26 PolarHBondContact O-N 3.5Å; I26-L28 VanDerWaalsContact C-N 3.26Å; I26-L28 PolarHBondContact O-N 2.87Å; I26-H29 PolarHBondContact O-N 3.33Å; I26-S30 WeakPolarHBondContact O-CB 3.27Å; I26-S30 PolarHBondContact O-N 2.85Å; I26-S30 PolarHBondContact O-OG 2.81Å; I26-S30 VanDerWaalsContact O-OG 3.12Å; I26-L155 HydrophobicContact CD1-CD1 4.11Å; I26-L155 HydrophobicContact CG1-CD1 3.74Å; I26-L155 HydrophobicContact CG1-CD2 4.34Å; I26-L155 HydrophobicContact CG1-CG 4.38Å; I26-I159 HydrophobicContact CD1-CD1 4.09Å; I26-I159 HydrophobicContact CD1-CG1 3.84Å; I26-I159 HydrophobicContact CG1-CD1 3.56Å; I26-I159 HydrophobicContact CG1-CG1 3.91Å |
| 27 | L | 49.6 | Very low | 46.8 | Very low | 117 Ų | 117 | 89.1 Ų | 89.1 | 61% | 0.613 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.4 | -39.3 | 176.1 | -88.2 | 84.9 | 0 | 0 | 0 | 111.2 | V23 A31 | V23-L27 HydrophobicContact CG1-CD1 3.61Å; V23-L27 WeakPolarHBondContact O-CD1 3.42Å; V23-L27 PolarHBondContact O-N 3.39Å; L27-A31 PolarHBondContact O-N 2.75Å |
| 28 | L | 48.1 | Very low | 46.1 | Very low | 117 Ų | 117 | 93.9 Ų | 93.9 | 61% | 0.613 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.9 | -37.9 | 176.5 | -168.3 | 65.8 | 0 | 0 | 0 | 112.8 | A24 L25 I26 L32 | A24-L28 WeakPolarHBondContact O-CB 3.37Å; A24-L28 PolarHBondContact O-N 3.45Å; L25-L28 HydrophobicContact CD1-CD2 4.26Å; L25-L28 PolarHBondContact O-N 3.46Å; I26-L28 VanDerWaalsContact C-N 3.26Å; I26-L28 PolarHBondContact O-N 2.87Å; L28-L32 PolarHBondContact O-N 3.48Å |
| 29 | H | 43.6 | Very low | 45.3 | Very low | 89 Ų | 89 | 95.3 Ų | 95.3 | 41% | 0.412 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -77.3 | -35.5 | -178.5 | -131.4 | 10.7 | 0 | 0 | 0 | 112.6 | L25 I26 A31 L32 A33 | L25-H29 WeakPolarHBondContact O-CB 3.29Å; L25-H29 PolarHBondContact O-N 2.91Å; I26-H29 PolarHBondContact O-N 3.33Å; H29-A31 VanDerWaalsContact C-N 3.28Å; H29-A31 PolarHBondContact O-N 3.4Å; H29-L32 PolarHBondContact O-N 2.81Å; H29-A33 WeakPolarHBondContact O-CB 3.45Å; H29-A33 PolarHBondContact O-N 3.44Å |
| 30 | S | 46 | Very low | 44.5 | Very low | 71 Ų | 71 | 96.2 Ų | 96.2 | 50% | 0.497 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.4 | -37.8 | 172.1 | -64.7 | 0 | 0 | 0 | 0 | 111.6 | I26 Q34 | I26-S30 WeakPolarHBondContact O-CB 3.27Å; I26-S30 PolarHBondContact O-N 2.85Å; I26-S30 PolarHBondContact O-OG 2.81Å; I26-S30 VanDerWaalsContact O-OG 3.12Å; S30-Q34 PolarHBondContact O-N 2.87Å |
| 31 | A | 45.7 | Very low | 43.7 | Very low | 55 Ų | 55 | 95.8 Ų | 95.8 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.2 | -35.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | L27 H29 | L27-A31 PolarHBondContact O-N 2.75Å; H29-A31 VanDerWaalsContact C-N 3.28Å; H29-A31 PolarHBondContact O-N 3.4Å |
| 32 | L | 40.7 | Very low | 42.9 | Very low | 118 Ų | 118 | 98.9 Ų | 98.9 | 62% | 0.618 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -76.7 | -33.8 | 178.7 | -160.4 | 70.4 | 0 | 0 | 0 | 112.8 | L28 H29 Q34 S35 | L28-L32 PolarHBondContact O-N 3.48Å; H29-L32 PolarHBondContact O-N 2.81Å; L32-Q34 VanDerWaalsContact C-N 3.34Å; L32-Q34 PolarHBondContact O-N 3.36Å; L32-S35 WeakPolarHBondContact O-CB 3.47Å; L32-S35 PolarHBondContact O-N 2.95Å |
| 33 | A | 38.9 | Very low | 42.4 | Very low | 67 Ų | 67 | 101.4 Ų | 101.4 | 55% | 0.554 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.7 | -27.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | H29 S35 | H29-A33 WeakPolarHBondContact O-CB 3.45Å; H29-A33 PolarHBondContact O-N 3.44Å; A33-S35 VanDerWaalsContact C-N 3.29Å; A33-S35 PolarHBondContact O-N 2.83Å |
| 34 | Q | 39.6 | Very low | 41.3 | Very low | 153 Ų | 153 | 106 Ų | 106 | 72% | 0.715 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.5 | -23.3 | 174.1 | -72.8 | -173.3 | -54 | 0 | 0 | 113 | S30 L32 H36 | S30-Q34 PolarHBondContact O-N 2.87Å; L32-Q34 VanDerWaalsContact C-N 3.34Å; L32-Q34 PolarHBondContact O-N 3.36Å; Q34-H36 PolarHBondContact O-N 3.3Å |
| 35 | S | 37.6 | Very low | 40.5 | Very low | 92 Ų | 92 | 111 Ų | 111 | 64% | 0.643 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -16.6 | 176.8 | 173.4 | 0 | 0 | 0 | 0 | 113.9 | L32 A33 | L32-S35 WeakPolarHBondContact O-CB 3.47Å; L32-S35 PolarHBondContact O-N 2.95Å; A33-S35 VanDerWaalsContact C-N 3.29Å; A33-S35 PolarHBondContact O-N 2.83Å |
| 36 | H | 32.8 | Very low | 40.1 | Very low | 172 Ų | 172 | 118 Ų | 118 | 80% | 0.796 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -0.8 | -172.8 | -153 | -68 | 0 | 0 | 0 | 114.1 | Q34 | Q34-H36 PolarHBondContact O-N 3.3Š|
| 37 | Q | 35.4 | Very low | 39.4 | Very low | 173 Ų | 173 | 127.1 Ų | 127.1 | 81% | 0.808 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -95.7 | -3.9 | 177.9 | -80.5 | -166.3 | -20 | 0 | 0 | 114.9 | S39 | Q37-S39 VanDerWaalsContact C-N 3.33Å; Q37-S39 PolarHBondContact O-N 3.43Å |
| 38 | D | 38 | Very low | 39.3 | Very low | 150 Ų | 150 | 129.2 Ų | 129.2 | 80% | 0.802 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -90 | 30 | -174.6 | -89 | -9.7 | 0 | 0 | 0 | 115 | ||
| 39 | S | 38.8 | Very low | 39.3 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 84% | 0.839 | 72% | 0.72 | S | S | * | * | trans | -146.1 | 79.2 | 175.9 | -67.8 | 0 | 0 | 0 | 0 | 113.7 | Q37 | Q37-S39 VanDerWaalsContact C-N 3.33Å; Q37-S39 PolarHBondContact O-N 3.43Å | ||
| 40 | A | 35.7 | Very low | 39.3 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 78% | 0.777 | 73% | 0.73 | S | S | * | * | trans | -150.2 | 124.3 | 152.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 41 | P | 37.2 | Very low | 39.4 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | -84.9 | 156 | 179.6 | 33.3 | -32.3 | 0 | 0 | 0 | 112.5 | ||||
| 42 | P | 41 | Very low | 39.7 | Very low | 134 Ų | 134 | 133 Ų | 133 | 87% | 0.87 | 74% | 0.744 | S | S | * | * | trans | -89.9 | 135.1 | -169.7 | 34.6 | -31.5 | 0 | 0 | 0 | 112.4 | ||||
| 43 | G | 35.8 | Very low | 40.4 | Very low | 72 Ų | 72 | 132.9 Ų | 132.9 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | -176.6 | 90.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 44 | Q | 33.4 | Very low | 41 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | trans | 62.9 | 97.4 | 147 | -69.7 | -109.3 | 20.3 | 0 | 0 | 121.2 | ||||
| 45 | Q | 37.1 | Very low | 41.8 | Very low | 166 Ų | 166 | 131.3 Ų | 131.3 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | 66.9 | 132 | 117.3 | -134 | 178.5 | 83.8 | 0 | 0 | 122.9 | |||||
| 46 | K | 37.3 | Very low | 42.5 | Very low | 166 Ų | 166 | 132.4 Ų | 132.4 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | trans | 84.6 | 89.1 | 154.9 | -102.2 | -174.5 | 177.4 | -170.6 | 0 | 120.3 | ||||
| 47 | R | 34.8 | Very low | 43.8 | Very low | 246 Ų | 246 | 129 Ų | 129 | 93% | 0.928 | 71% | 0.714 | S | S | * | * | trans | -149.5 | 113.1 | 133 | -130 | 167.6 | -177.1 | 166.3 | 0.1 | 109.6 | ||||
| 48 | E | 47.8 | Very low | 44.9 | Very low | 161 Ų | 161 | 122.7 Ų | 122.7 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | trans | -73.6 | 154.4 | -174.5 | -67.8 | 172.4 | -175.6 | 0 | 0 | 112.4 | ||||
| 49 | A | 47.5 | Very low | 45.9 | Very low | 96 Ų | 96 | 123.2 Ų | 123.2 | 79% | 0.793 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 72.2 | 68.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 50 | P | 44.1 | Very low | 46.5 | Very low | 95 Ų | 95 | 121.2 Ų | 121.2 | 62% | 0.617 | 67% | 0.671 | S | S | * | * | S | Bend | -148.2 | 5.7 | 105.8 | 29.5 | -9.6 | 0 | 0 | 0 | 115.2 | |||
| 51 | V | 48.8 | Very low | 47.3 | Very low | 95 Ų | 95 | 120.4 Ų | 120.4 | 58% | 0.576 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -70.9 | -36.6 | -171.8 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | L53 L54 T55 | V51-L53 VanDerWaalsContact C-N 3.3Å; V51-L53 PolarHBondContact O-N 2.9Å; V51-L54 WeakPolarHBondContact O-CB 3.43Å; V51-L54 PolarHBondContact O-N 3.36Å; V51-T55 PolarHBondContact O-N 2.86Å; V51-T55 PolarHBondContact O-OG1 3.44Å |
| 52 | D | 52.3 | Low | 48 | Very low | 125 Ų | 125 | 123.2 Ų | 123.2 | 67% | 0.668 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -61.6 | -31.6 | -174.1 | -91.1 | -28.3 | 0 | 0 | 0 | 115 | T55 Q56 | D52-T55 PolarHBondContact O-N 3.48Å; D52-Q56 WeakPolarHBondContact O-CB 3.37Å; D52-Q56 PolarHBondContact O-N 3.05Å |
| 53 | L | 54.8 | Low | 48.8 | Very low | 117 Ų | 117 | 118.9 Ų | 118.9 | 61% | 0.613 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.6 | -39.1 | 174.9 | -73.1 | 174.3 | 0 | 0 | 0 | 111.4 | V51 Q56 I57 | V51-L53 VanDerWaalsContact C-N 3.3Å; V51-L53 PolarHBondContact O-N 2.9Å; L53-Q56 PolarHBondContact O-N 2.95Å; L53-I57 VanDerWaalsContact O-CB 3.3Å; L53-I57 WeakPolarHBondContact O-CB 3.29Å; L53-I57 VanDerWaalsContact O-CD1 3.28Å; L53-I57 WeakPolarHBondContact O-CD1 3.32Å; L53-I57 WeakPolarHBondContact O-CG1 3.39Å; L53-I57 PolarHBondContact O-N 3.41Å |
| 54 | L | 52.2 | Low | 49.7 | Very low | 126 Ų | 126 | 119.1 Ų | 119.1 | 66% | 0.66 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.8 | -36.4 | 175.5 | -67.5 | 171.7 | 0 | 0 | 0 | 111.3 | V51 G58 | V51-L54 WeakPolarHBondContact O-CB 3.43Å; V51-L54 PolarHBondContact O-N 3.36Å; L54-G58 PolarHBondContact O-N 2.9Å |
| 55 | T | 56.4 | Low | 50.6 | Low | 61 Ų | 61 | 115.9 Ų | 115.9 | 37% | 0.374 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.9 | -34.4 | 175.1 | -21.4 | 0 | 0 | 0 | 0 | 111.9 | V51 D52 R59 | V51-T55 PolarHBondContact O-N 2.86Å; V51-T55 PolarHBondContact O-OG1 3.44Å; D52-T55 PolarHBondContact O-N 3.48Å; T55-R59 WeakPolarHBondContact O-CB 3.43Å; T55-R59 WeakPolarHBondContact O-CG 3.39Å; T55-R59 PolarHBondContact O-N 3.39Å; T55-R59 PolarHBondContact O-NE 3.34Å |
| 56 | Q | 51.6 | Low | 51.1 | Low | 115 Ų | 115 | 113.2 Ų | 113.2 | 54% | 0.537 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -74 | -40.6 | 176.5 | -172.7 | 175.2 | -0.7 | 0 | 0 | 111.6 | D52 L53 R59 S60 | D52-Q56 WeakPolarHBondContact O-CB 3.37Å; D52-Q56 PolarHBondContact O-N 3.05Å; L53-Q56 PolarHBondContact O-N 2.95Å; Q56-R59 PolarHBondContact O-N 3.1Å; Q56-S60 VanDerWaalsContact O-CB 3.3Å; Q56-S60 WeakPolarHBondContact O-CB 3.44Å; Q56-S60 PolarHBondContact O-N 2.88Å |
| 57 | I | 59.5 | Low | 51.8 | Low | 101 Ų | 101 | 109.4 Ų | 109.4 | 52% | 0.518 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.7 | -41.3 | 172.6 | -67.5 | 162.2 | 0 | 0 | 0 | 110.1 | L53 S60 V61 | L53-I57 VanDerWaalsContact O-CB 3.3Å; L53-I57 WeakPolarHBondContact O-CB 3.29Å; L53-I57 VanDerWaalsContact O-CD1 3.28Å; L53-I57 WeakPolarHBondContact O-CD1 3.32Å; L53-I57 WeakPolarHBondContact O-CG1 3.39Å; L53-I57 PolarHBondContact O-N 3.41Å; I57-S60 PolarHBondContact O-N 3.48Å; I57-V61 HydrophobicContact CG2-CG2 4.27Å; I57-V61 WeakPolarHBondContact O-CB 3.27Å; I57-V61 VanDerWaalsContact O-CG2 3.26Å; I57-V61 WeakPolarHBondContact O-CG2 3.38Å; I57-V61 PolarHBondContact O-N 2.88Å |
| 58 | G | 58.4 | Low | 52.3 | Low | 39 Ų | 39 | 106.5 Ų | 106.5 | 40% | 0.402 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.1 | -41.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L54 R62 | L54-G58 PolarHBondContact O-N 2.9Å; G58-R62 WeakPolarHBondContact O-CB 3.31Å; G58-R62 PolarHBondContact O-N 3.31Å |
| 59 | R | 59.1 | Low | 52.4 | Low | 161 Ų | 161 | 103 Ų | 103 | 61% | 0.608 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.1 | -38.9 | 173.9 | -80.1 | -177.7 | -71.7 | 130.5 | -6.6 | 112.7 | T55 Q56 R62 G63 | T55-R59 WeakPolarHBondContact O-CB 3.43Å; T55-R59 WeakPolarHBondContact O-CG 3.39Å; T55-R59 PolarHBondContact O-N 3.39Å; T55-R59 PolarHBondContact O-NE 3.34Å; Q56-R59 PolarHBondContact O-N 3.1Å; R59-R62 PolarHBondContact O-N 3.26Å; R59-G63 PolarHBondContact O-N 3.49Å |
| 60 | S | 51.8 | Low | 52.2 | Low | 78 Ų | 78 | 99.9 Ų | 99.9 | 55% | 0.545 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.6 | -52 | 175.2 | 171 | 0 | 0 | 0 | 0 | 111 | Q56 I57 R62 G63 T64 | Q56-S60 VanDerWaalsContact O-CB 3.3Å; Q56-S60 WeakPolarHBondContact O-CB 3.44Å; Q56-S60 PolarHBondContact O-N 2.88Å; I57-S60 PolarHBondContact O-N 3.48Å; S60-R62 VanDerWaalsContact C-N 3.3Å; S60-R62 PolarHBondContact O-N 2.72Å; S60-G63 PolarHBondContact O-N 3.49Å; S60-T64 PolarHBondContact O-N 3.45Å; S60-T64 PolarHBondContact O-OG1 3.07Å |
| 61 | V | 53.7 | Low | 52.5 | Low | 78 Ų | 78 | 101.5 Ų | 101.5 | 47% | 0.473 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62 | -37.9 | 178.3 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | I57 T64 L65 | I57-V61 HydrophobicContact CG2-CG2 4.27Å; I57-V61 WeakPolarHBondContact O-CB 3.27Å; I57-V61 VanDerWaalsContact O-CG2 3.26Å; I57-V61 WeakPolarHBondContact O-CG2 3.38Å; I57-V61 PolarHBondContact O-N 2.88Å; V61-T64 PolarHBondContact O-N 2.89Å; V61-L65 HydrophobicContact CG1-CD1 4.27Å; V61-L65 WeakPolarHBondContact O-CB 3.33Å; V61-L65 PolarHBondContact O-N 2.85Å |
| 62 | R | 51 | Low | 52.3 | Low | 185 Ų | 185 | 105.1 Ų | 105.1 | 70% | 0.698 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69 | -39.1 | 177.4 | -165.2 | 166.9 | -166.9 | -139.8 | 0.6 | 112.6 | G58 R59 S60 T64 L65 D66 | G58-R62 WeakPolarHBondContact O-CB 3.31Å; G58-R62 PolarHBondContact O-N 3.31Å; R59-R62 PolarHBondContact O-N 3.26Å; S60-R62 VanDerWaalsContact C-N 3.3Å; S60-R62 PolarHBondContact O-N 2.72Å; R62-T64 VanDerWaalsContact C-N 3.35Å; R62-L65 PolarHBondContact O-N 3.48Å; R62-D66 PolarHBondContact O-N 3.35Å |
| 63 | G | 57.2 | Low | 51.9 | Low | 43 Ų | 43 | 102.7 Ų | 102.7 | 44% | 0.443 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.4 | -37 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R59 S60 A67 | R59-G63 PolarHBondContact O-N 3.49Å; S60-G63 PolarHBondContact O-N 3.49Å; G63-A67 WeakPolarHBondContact O-CB 3.45Å; G63-A67 PolarHBondContact O-N 3.29Å; G63-A67 VanDerWaalsContact O-N 3.1Å |
| 64 | T | 55.8 | Low | 51.3 | Low | 76 Ų | 76 | 103.4 Ų | 103.4 | 47% | 0.466 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -73.3 | -30.4 | 174.3 | -26.1 | 0 | 0 | 0 | 0 | 112.2 | S60 V61 R62 W68 | S60-T64 PolarHBondContact O-N 3.45Å; S60-T64 PolarHBondContact O-OG1 3.07Å; V61-T64 PolarHBondContact O-N 2.89Å; R62-T64 VanDerWaalsContact C-N 3.35Å; T64-W68 WeakPolarHBondContact O-CB 3.33Å; T64-W68 PolarHBondContact O-N 2.92Å |
| 65 | L | 51.5 | Low | 50.8 | Low | 103 Ų | 103 | 103.9 Ų | 103.9 | 54% | 0.539 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.2 | -45.2 | 172.7 | -123.2 | 92.8 | 0 | 0 | 0 | 111.4 | V61 R62 A67 W68 I69 | V61-L65 HydrophobicContact CG1-CD1 4.27Å; V61-L65 WeakPolarHBondContact O-CB 3.33Å; V61-L65 PolarHBondContact O-N 2.85Å; R62-L65 PolarHBondContact O-N 3.48Å; L65-A67 VanDerWaalsContact C-N 3.29Å; L65-A67 PolarHBondContact O-N 3.21Å; L65-W68 PolarHBondContact O-N 3.42Å; L65-W68 VanDerWaalsContact O-N 3.1Å; L65-I69 WeakPolarHBondContact O-CB 3.14Å; L65-I69 PolarHBondContact O-N 3.35Å |
| 66 | D | 47.9 | Very low | 50 | Low | 111 Ų | 111 | 107.4 Ų | 107.4 | 59% | 0.594 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.2 | -39.4 | 177.3 | -105.6 | -14.8 | 0 | 0 | 0 | 111.6 | R62 W68 | R62-D66 PolarHBondContact O-N 3.35Å; D66-W68 VanDerWaalsContact C-N 3.27Å; D66-W68 PolarHBondContact O-N 2.86Å |
| 67 | A | 52.8 | Low | 49.9 | Very low | 85 Ų | 85 | 106.6 Ų | 106.6 | 70% | 0.702 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -70 | -21.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G63 L65 | G63-A67 WeakPolarHBondContact O-CB 3.45Å; G63-A67 PolarHBondContact O-N 3.29Å; G63-A67 VanDerWaalsContact O-N 3.1Å; L65-A67 VanDerWaalsContact C-N 3.29Å; L65-A67 PolarHBondContact O-N 3.21Å |
| 68 | W | 43.6 | Very low | 49.2 | Very low | 185 Ų | 185 | 104.8 Ų | 104.8 | 70% | 0.701 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -99.1 | -27.9 | -178.6 | -89.2 | 65.6 | 0 | 0 | 0 | 114 | T64 L65 D66 | T64-W68 WeakPolarHBondContact O-CB 3.33Å; T64-W68 PolarHBondContact O-N 2.92Å; L65-W68 PolarHBondContact O-N 3.42Å; L65-W68 VanDerWaalsContact O-N 3.1Å; D66-W68 VanDerWaalsContact C-N 3.27Å; D66-W68 PolarHBondContact O-N 2.86Å |
| 69 | I | 50.6 | Low | 48.5 | Very low | 87 Ų | 87 | 108.7 Ų | 108.7 | 45% | 0.446 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -99.3 | -20.3 | -165.1 | -130.7 | 76.2 | 0 | 0 | 0 | 114.8 | L65 T73 | L65-I69 WeakPolarHBondContact O-CB 3.14Å; L65-I69 PolarHBondContact O-N 3.35Å; I69-T73 PolarHBondContact O-OG1 3.22Å |
| 70 | G | 43.3 | Very low | 47.7 | Very low | 32 Ų | 32 | 104.1 Ų | 104.1 | 33% | 0.33 | 58% | 0.575 | S | S | . | * | trans | 66.6 | 133.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E72 | G70-E72 PolarHBondContact O-N 2.99Š| ||
| 71 | P | 49.7 | Very low | 47.4 | Very low | 128 Ų | 128 | 103.2 Ų | 103.2 | 83% | 0.831 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -8.2 | -176.5 | 22.8 | -31.6 | 0 | 0 | 0 | 115.2 | ||
| 72 | E | 44.3 | Very low | 47 | Very low | 172 Ų | 172 | 102.9 Ų | 102.9 | 80% | 0.804 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -16 | -175.4 | -72.4 | -176.1 | 150.2 | 0 | 0 | 115.1 | G70 | G70-E72 PolarHBondContact O-N 2.99Š|
| 73 | T | 45.2 | Very low | 46.6 | Very low | 73 Ų | 73 | 100.6 Ų | 100.6 | 45% | 0.448 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -93.5 | -15 | -177.9 | 59.6 | 0 | 0 | 0 | 0 | 114.3 | I69 V77 | I69-T73 PolarHBondContact O-OG1 3.22Å; T73-V77 VanDerWaalsContact O-CG2 3.24Å; T73-V77 WeakPolarHBondContact O-CG2 3.35Å |
| 74 | M | 42.8 | Very low | 46 | Very low | 132 Ų | 132 | 102.1 Ų | 102.1 | 65% | 0.65 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -74.7 | -31.3 | -173.8 | -140.6 | 93.3 | 144.7 | 0 | 0 | 112.7 | ||
| 75 | H | 41.6 | Very low | 45.7 | Very low | 137 Ų | 137 | 104.1 Ų | 104.1 | 63% | 0.634 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -88.8 | -30.6 | -173.1 | -145.2 | -71.6 | 0 | 0 | 0 | 113.4 | V77 S78 | H75-V77 VanDerWaalsContact C-N 3.33Å; H75-S78 PolarHBondContact O-OG 3.32Å |
| 76 | L | 38.8 | Very low | 45.6 | Very low | 134 Ų | 134 | 108.4 Ų | 108.4 | 70% | 0.702 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -74.6 | -25.3 | 174.5 | -75.9 | 164.3 | 0 | 0 | 0 | 112.2 | S80 | L76-S80 WeakPolarHBondContact O-CB 3.33Å; L76-S80 PolarHBondContact O-N 3.2Å |
| 77 | V | 49.5 | Very low | 45.5 | Very low | 98 Ų | 98 | 105.5 Ų | 105.5 | 59% | 0.594 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -79.3 | -36 | 178.1 | 170 | 0 | 0 | 0 | 0 | 111.9 | T73 H75 S81 | T73-V77 VanDerWaalsContact O-CG2 3.24Å; T73-V77 WeakPolarHBondContact O-CG2 3.35Å; H75-V77 VanDerWaalsContact C-N 3.33Å; V77-S81 WeakPolarHBondContact O-CB 3.4Å; V77-S81 PolarHBondContact O-N 3.44Å; V77-S81 PolarHBondContact O-OG 3.29Å |
| 78 | S | 45.4 | Very low | 45.4 | Very low | 64 Ų | 64 | 105.7 Ų | 105.7 | 45% | 0.448 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71 | -38.5 | -179.8 | 61 | 0 | 0 | 0 | 0 | 112.2 | H75 S81 S82 | H75-S78 PolarHBondContact O-OG 3.32Å; S78-S81 PolarHBondContact O-OG 2.79Å; S78-S82 PolarHBondContact O-N 2.79Å |
| 79 | E | 43 | Very low | 45.7 | Very low | 121 Ų | 121 | 100.2 Ų | 100.2 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -78.8 | -44.1 | -177.4 | -153.1 | 162.9 | -171.1 | 0 | 0 | 111.3 | S81 S82 Q83 | E79-S81 VanDerWaalsContact C-N 3.33Å; E79-S81 PolarHBondContact O-N 2.86Å; E79-S82 PolarHBondContact O-N 3.49Å; E79-S82 PolarHBondContact O-OG 2.76Å; E79-Q83 PolarHBondContact O-N 3.39Å |
| 80 | S | 41.7 | Very low | 45.7 | Very low | 65 Ų | 65 | 98.7 Ų | 98.7 | 46% | 0.455 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.2 | -35.1 | 175.3 | -175.1 | 0 | 0 | 0 | 0 | 112.7 | L76 Q83 V84 | L76-S80 WeakPolarHBondContact O-CB 3.33Å; L76-S80 PolarHBondContact O-N 3.2Å; S80-Q83 PolarHBondContact O-N 2.78Å; S80-V84 VanDerWaalsContact O-CB 3.28Å; S80-V84 WeakPolarHBondContact O-CB 3.23Å; S80-V84 WeakPolarHBondContact O-CG2 3.35Å; S80-V84 PolarHBondContact O-N 2.95Å |
| 81 | S | 46 | Very low | 45.9 | Very low | 59 Ų | 59 | 100 Ų | 100 | 41% | 0.413 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.3 | -38.1 | 176.5 | 59.5 | 0 | 0 | 0 | 0 | 112.6 | V77 S78 E79 L85 | V77-S81 WeakPolarHBondContact O-CB 3.4Å; V77-S81 PolarHBondContact O-N 3.44Å; V77-S81 PolarHBondContact O-OG 3.29Å; S78-S81 PolarHBondContact O-OG 2.79Å; E79-S81 VanDerWaalsContact C-N 3.33Å; E79-S81 PolarHBondContact O-N 2.86Å; S81-L85 VanDerWaalsContact O-CB 3.28Å; S81-L85 WeakPolarHBondContact O-CB 3.12Å; S81-L85 PolarHBondContact O-N 2.79Å |
| 82 | S | 46.4 | Very low | 46.1 | Very low | 70 Ų | 70 | 98.4 Ų | 98.4 | 49% | 0.49 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 177.2 | 77.5 | 0 | 0 | 0 | 0 | 112.9 | S78 E79 L85 W86 | S78-S82 PolarHBondContact O-N 2.79Å; E79-S82 PolarHBondContact O-N 3.49Å; E79-S82 PolarHBondContact O-OG 2.76Å; S82-L85 WeakPolarHBondContact O-CB 3.12Å; S82-L85 PolarHBondContact O-N 2.78Å; S82-W86 PolarHBondContact O-N 3.35Å |
| 83 | Q | 40.8 | Very low | 46.4 | Very low | 138 Ų | 138 | 93.8 Ų | 93.8 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -74.4 | -36.7 | -175.8 | -142.2 | 169.7 | 11.7 | 0 | 0 | 111.3 | E79 S80 A87 | E79-Q83 PolarHBondContact O-N 3.39Å; S80-Q83 PolarHBondContact O-N 2.78Å; Q83-A87 WeakPolarHBondContact O-CB 3.18Å; Q83-A87 PolarHBondContact O-N 2.99Å; Q83-A87 VanDerWaalsContact O-N 3.07Å |
| 84 | V | 45.4 | Very low | 47 | Very low | 75 Ų | 75 | 94.7 Ų | 94.7 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.8 | -37.7 | 171.7 | 174 | 0 | 0 | 0 | 0 | 110.8 | S80 W86 A87 I88 | S80-V84 VanDerWaalsContact O-CB 3.28Å; S80-V84 WeakPolarHBondContact O-CB 3.23Å; S80-V84 WeakPolarHBondContact O-CG2 3.35Å; S80-V84 PolarHBondContact O-N 2.95Å; V84-W86 VanDerWaalsContact C-N 3.34Å; V84-W86 PolarHBondContact O-N 2.73Å; V84-A87 PolarHBondContact O-N 3.48Å; V84-I88 HydrophobicContact CG1-CD1 3.53Å; V84-I88 HydrophobicContact CG1-CG1 4.24Å; V84-I88 WeakPolarHBondContact O-CB 3.16Å; V84-I88 WeakPolarHBondContact O-CD1 3.45Å; V84-I88 WeakPolarHBondContact O-CG1 3.44Å; V84-I88 PolarHBondContact O-N 3.22Å |
| 85 | L | 48.5 | Very low | 47.3 | Very low | 118 Ų | 118 | 91.2 Ų | 91.2 | 62% | 0.618 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.5 | -44.9 | 173.9 | -126.5 | 90.6 | 0 | 0 | 0 | 111.9 | S81 S82 I88 S89 | S81-L85 VanDerWaalsContact O-CB 3.28Å; S81-L85 WeakPolarHBondContact O-CB 3.12Å; S81-L85 PolarHBondContact O-N 2.79Å; S82-L85 WeakPolarHBondContact O-CB 3.12Å; S82-L85 PolarHBondContact O-N 2.78Å; L85-I88 PolarHBondContact O-N 2.98Å; L85-S89 WeakPolarHBondContact O-CB 3.32Å; L85-S89 PolarHBondContact O-N 3.43Å |
| 86 | W | 49.4 | Very low | 48 | Very low | 192 Ų | 192 | 91.7 Ų | 91.7 | 73% | 0.727 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.5 | -43.8 | 179.3 | -177.5 | 81 | 0 | 0 | 0 | 111.7 | S82 V84 I88 S89 S90 | S82-W86 PolarHBondContact O-N 3.35Å; V84-W86 VanDerWaalsContact C-N 3.34Å; V84-W86 PolarHBondContact O-N 2.73Å; W86-I88 VanDerWaalsContact C-N 3.32Å; W86-I88 PolarHBondContact O-N 2.85Å; W86-S89 PolarHBondContact O-N 3.33Å; W86-S90 WeakPolarHBondContact O-CB 3.4Å; W86-S90 PolarHBondContact O-N 3.32Å |
| 87 | A | 46.3 | Very low | 48.9 | Very low | 50 Ų | 50 | 93.6 Ų | 93.6 | 41% | 0.413 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q83 V84 S90 A91 | Q83-A87 WeakPolarHBondContact O-CB 3.18Å; Q83-A87 PolarHBondContact O-N 2.99Å; Q83-A87 VanDerWaalsContact O-N 3.07Å; V84-A87 PolarHBondContact O-N 3.48Å; A87-S90 PolarHBondContact O-N 2.77Å; A87-A91 VanDerWaalsContact O-CB 3.28Å; A87-A91 WeakPolarHBondContact O-CB 3.3Å; A87-A91 PolarHBondContact O-N 3.46Å |
| 88 | I | 50.5 | Low | 49.4 | Very low | 90 Ų | 90 | 91.2 Ų | 91.2 | 46% | 0.462 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.4 | -41.7 | 177.5 | -68.7 | 168.3 | 0 | 0 | 0 | 110.9 | V84 L85 W86 S90 A91 I92 | V84-I88 HydrophobicContact CG1-CD1 3.53Å; V84-I88 HydrophobicContact CG1-CG1 4.24Å; V84-I88 WeakPolarHBondContact O-CB 3.16Å; V84-I88 WeakPolarHBondContact O-CD1 3.45Å; V84-I88 WeakPolarHBondContact O-CG1 3.44Å; V84-I88 PolarHBondContact O-N 3.22Å; L85-I88 PolarHBondContact O-N 2.98Å; W86-I88 VanDerWaalsContact C-N 3.32Å; W86-I88 PolarHBondContact O-N 2.85Å; I88-S90 VanDerWaalsContact C-N 3.32Å; I88-S90 PolarHBondContact O-N 3.16Å; I88-A91 PolarHBondContact O-N 2.82Å; I88-I92 HydrophobicContact CG2-CD1 3.56Å; I88-I92 HydrophobicContact CG2-CG1 4.24Å; I88-I92 WeakPolarHBondContact O-CB 3.32Å; I88-I92 WeakPolarHBondContact O-CG1 3.14Å; I88-I92 PolarHBondContact O-N 3.46Å |
| 89 | S | 51.1 | Low | 49.9 | Very low | 70 Ų | 70 | 93.6 Ų | 93.6 | 49% | 0.49 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 174.8 | -178 | 0 | 0 | 0 | 0 | 112 | L85 W86 S93 | L85-S89 WeakPolarHBondContact O-CB 3.32Å; L85-S89 PolarHBondContact O-N 3.43Å; W86-S89 PolarHBondContact O-N 3.33Å; S89-S93 WeakPolarHBondContact O-CB 3.41Å; S89-S93 PolarHBondContact O-N 3.44Å; S89-S93 PolarHBondContact O-OG 3.41Å |
| 90 | S | 51 | Low | 50.5 | Low | 55 Ų | 55 | 91.7 Ų | 91.7 | 39% | 0.385 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -47.5 | 174.5 | -173.1 | 0 | 0 | 0 | 0 | 111.4 | W86 A87 I88 I92 S93 V94 | W86-S90 WeakPolarHBondContact O-CB 3.4Å; W86-S90 PolarHBondContact O-N 3.32Å; A87-S90 PolarHBondContact O-N 2.77Å; I88-S90 VanDerWaalsContact C-N 3.32Å; I88-S90 PolarHBondContact O-N 3.16Å; S90-I92 PolarHBondContact O-N 3.23Å; S90-S93 PolarHBondContact O-N 3.15Å; S90-V94 WeakPolarHBondContact O-CB 3.32Å; S90-V94 VanDerWaalsContact O-CG2 3.27Å; S90-V94 WeakPolarHBondContact O-CG2 3.44Å; S90-V94 PolarHBondContact O-N 3.1Å |
| 91 | A | 47.4 | Very low | 51.3 | Low | 60 Ų | 60 | 90 Ų | 90 | 50% | 0.496 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | A87 I88 V94 A95 | A87-A91 VanDerWaalsContact O-CB 3.28Å; A87-A91 WeakPolarHBondContact O-CB 3.3Å; A87-A91 PolarHBondContact O-N 3.46Å; I88-A91 PolarHBondContact O-N 2.82Å; A91-V94 PolarHBondContact O-N 3.25Å; A91-A95 WeakPolarHBondContact O-CB 3.37Å; A91-A95 PolarHBondContact O-N 2.81Å |
| 92 | I | 52.3 | Low | 51.8 | Low | 94 Ų | 94 | 91.7 Ų | 91.7 | 48% | 0.482 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 176.1 | -68.8 | 167.6 | 0 | 0 | 0 | 110.6 | I88 S90 A95 F96 | I88-I92 HydrophobicContact CG2-CD1 3.56Å; I88-I92 HydrophobicContact CG2-CG1 4.24Å; I88-I92 WeakPolarHBondContact O-CB 3.32Å; I88-I92 WeakPolarHBondContact O-CG1 3.14Å; I88-I92 PolarHBondContact O-N 3.46Å; S90-I92 PolarHBondContact O-N 3.23Å; I92-A95 PolarHBondContact O-N 2.88Å; I92-F96 HydrophobicContact CG2-CD2 4.36Å; I92-F96 PolarHBondContact O-N 2.96Å |
| 93 | S | 50.6 | Low | 52.1 | Low | 74 Ų | 74 | 91.5 Ų | 91.5 | 52% | 0.517 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 176.6 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | S89 S90 F96 F97 | S89-S93 WeakPolarHBondContact O-CB 3.41Å; S89-S93 PolarHBondContact O-N 3.44Å; S89-S93 PolarHBondContact O-OG 3.41Å; S90-S93 PolarHBondContact O-N 3.15Å; S93-F96 PolarHBondContact O-N 3.33Å; S93-F97 VanDerWaalsContact O-CB 3.27Å; S93-F97 WeakPolarHBondContact O-CB 3.21Å; S93-F97 PolarHBondContact O-N 2.89Å |
| 94 | V | 58.2 | Low | 52.8 | Low | 93 Ų | 93 | 87.8 Ų | 87.8 | 56% | 0.564 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.9 | -39.9 | 175.3 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | S90 A91 F97 A98 | S90-V94 WeakPolarHBondContact O-CB 3.32Å; S90-V94 VanDerWaalsContact O-CG2 3.27Å; S90-V94 WeakPolarHBondContact O-CG2 3.44Å; S90-V94 PolarHBondContact O-N 3.1Å; A91-V94 PolarHBondContact O-N 3.25Å; V94-F97 PolarHBondContact O-N 2.77Å; V94-A98 VanDerWaalsContact O-CB 3.23Å; V94-A98 WeakPolarHBondContact O-CB 3.39Å; V94-A98 PolarHBondContact O-N 3.24Å |
| 95 | A | 50.1 | Low | 53.3 | Low | 59 Ų | 59 | 90.7 Ų | 90.7 | 49% | 0.488 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | A91 I92 L99 | A91-A95 WeakPolarHBondContact O-CB 3.37Å; A91-A95 PolarHBondContact O-N 2.81Å; I92-A95 PolarHBondContact O-N 2.88Å; A95-L99 WeakPolarHBondContact O-CB 3.31Å; A95-L99 PolarHBondContact O-N 2.9Å |
| 96 | F | 55.6 | Low | 53.6 | Low | 147 Ų | 147 | 89.9 Ų | 89.9 | 65% | 0.645 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.4 | -40.1 | 174.6 | -106.7 | -91.1 | 0 | 0 | 0 | 112.3 | I92 S93 L99 S100 | I92-F96 HydrophobicContact CG2-CD2 4.36Å; I92-F96 PolarHBondContact O-N 2.96Å; S93-F96 PolarHBondContact O-N 3.33Å; F96-L99 PolarHBondContact O-N 3.42Å; F96-S100 WeakPolarHBondContact O-CB 3.08Å; F96-S100 PolarHBondContact O-N 3.39Å |
| 97 | F | 57.1 | Low | 54 | Low | 174 Ų | 174 | 85.9 Ų | 85.9 | 76% | 0.763 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.4 | -42.7 | 176.8 | -169.8 | -98.4 | 0 | 0 | 0 | 111.6 | S93 V94 S100 G101 | S93-F97 VanDerWaalsContact O-CB 3.27Å; S93-F97 WeakPolarHBondContact O-CB 3.21Å; S93-F97 PolarHBondContact O-N 2.89Å; V94-F97 PolarHBondContact O-N 2.77Å; F97-S100 PolarHBondContact O-N 3Å; F97-G101 PolarHBondContact O-N 3.42Å |
| 98 | A | 60.1 | Low | 54.5 | Low | 47 Ų | 47 | 90.2 Ų | 90.2 | 39% | 0.388 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V94 G101 I102 | V94-A98 VanDerWaalsContact O-CB 3.23Å; V94-A98 WeakPolarHBondContact O-CB 3.39Å; V94-A98 PolarHBondContact O-N 3.24Å; A98-G101 PolarHBondContact O-N 2.89Å; A98-I102 WeakPolarHBondContact O-CB 3.36Å; A98-I102 WeakPolarHBondContact O-CD1 3.26Å; A98-I102 WeakPolarHBondContact O-CG1 3.43Å; A98-I102 PolarHBondContact O-N 3.4Å |
| 99 | L | 55.5 | Low | 54.5 | Low | 115 Ų | 115 | 90 Ų | 90 | 60% | 0.602 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67 | -37.7 | 177.7 | -169.4 | 64.5 | 0 | 0 | 0 | 112 | A95 F96 S103 | A95-L99 WeakPolarHBondContact O-CB 3.31Å; A95-L99 PolarHBondContact O-N 2.9Å; F96-L99 PolarHBondContact O-N 3.42Å; L99-S103 VanDerWaalsContact O-CB 3.23Å; L99-S103 WeakPolarHBondContact O-CB 3.31Å; L99-S103 PolarHBondContact O-N 2.84Å |
| 100 | S | 56.6 | Low | 54.2 | Low | 81 Ų | 81 | 92.9 Ų | 92.9 | 57% | 0.566 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.9 | -42.9 | 172.1 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | F96 F97 S103 A104 | F96-S100 WeakPolarHBondContact O-CB 3.08Å; F96-S100 PolarHBondContact O-N 3.39Å; F97-S100 PolarHBondContact O-N 3Å; S100-S103 PolarHBondContact O-N 2.9Å; S100-A104 WeakPolarHBondContact O-CB 3.24Å; S100-A104 PolarHBondContact O-N 3.22Å |
| 101 | G | 59.3 | Low | 54 | Low | 30 Ų | 30 | 92.5 Ų | 92.5 | 31% | 0.309 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.1 | -42.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F97 A98 A104 Q105 | F97-G101 PolarHBondContact O-N 3.42Å; A98-G101 PolarHBondContact O-N 2.89Å; G101-A104 PolarHBondContact O-N 3.4Å; G101-Q105 WeakPolarHBondContact O-CB 3.3Å; G101-Q105 VanDerWaalsContact O-CG 3.28Å; G101-Q105 WeakPolarHBondContact O-CG 3.3Å; G101-Q105 PolarHBondContact O-N 2.83Å |
| 102 | I | 55.1 | Low | 54 | Low | 93 Ų | 93 | 96.1 Ų | 96.1 | 48% | 0.477 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.2 | -36.9 | 176.6 | -66.4 | 160.2 | 0 | 0 | 0 | 110.2 | A98 Q105 L106 | A98-I102 WeakPolarHBondContact O-CB 3.36Å; A98-I102 WeakPolarHBondContact O-CD1 3.26Å; A98-I102 WeakPolarHBondContact O-CG1 3.43Å; A98-I102 PolarHBondContact O-N 3.4Å; I102-Q105 PolarHBondContact O-N 2.87Å; I102-L106 HydrophobicContact CG2-CD1 4.37Å; I102-L106 WeakPolarHBondContact O-CB 3.32Å; I102-L106 PolarHBondContact O-N 3.38Å |
| 103 | S | 52.3 | Low | 53.9 | Low | 67 Ų | 67 | 95.7 Ų | 95.7 | 47% | 0.469 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.5 | -40.6 | 174.2 | -167.4 | 0 | 0 | 0 | 0 | 112 | L99 S100 L106 L107 | L99-S103 VanDerWaalsContact O-CB 3.23Å; L99-S103 WeakPolarHBondContact O-CB 3.31Å; L99-S103 PolarHBondContact O-N 2.84Å; S100-S103 PolarHBondContact O-N 2.9Å; S103-L106 PolarHBondContact O-N 3.4Å; S103-L107 WeakPolarHBondContact O-CB 3.48Å; S103-L107 WeakPolarHBondContact O-CD1 3.44Å; S103-L107 PolarHBondContact O-N 2.88Å |
| 104 | A | 57.3 | Low | 53.8 | Low | 60 Ų | 60 | 95.2 Ų | 95.2 | 50% | 0.496 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.9 | -39.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S100 G101 L107 N108 | S100-A104 WeakPolarHBondContact O-CB 3.24Å; S100-A104 PolarHBondContact O-N 3.22Å; G101-A104 PolarHBondContact O-N 3.4Å; A104-L107 PolarHBondContact O-N 2.81Å; A104-N108 WeakPolarHBondContact O-CB 3.26Å; A104-N108 PolarHBondContact O-N 3.33Å |
| 105 | Q | 56 | Low | 53.4 | Low | 136 Ų | 136 | 96.7 Ų | 96.7 | 64% | 0.636 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70 | -35 | 174.6 | -73.2 | 176.5 | 5.8 | 0 | 0 | 112.2 | G101 I102 N108 A109 | G101-Q105 WeakPolarHBondContact O-CB 3.3Å; G101-Q105 VanDerWaalsContact O-CG 3.28Å; G101-Q105 WeakPolarHBondContact O-CG 3.3Å; G101-Q105 PolarHBondContact O-N 2.83Å; I102-Q105 PolarHBondContact O-N 2.87Å; Q105-N108 PolarHBondContact O-N 3.03Å; Q105-A109 WeakPolarHBondContact O-CB 3.41Å; Q105-A109 PolarHBondContact O-N 3.15Å |
| 106 | L | 54.7 | Low | 53.3 | Low | 101 Ų | 101 | 104.4 Ų | 104.4 | 53% | 0.529 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.9 | -43.7 | 172.7 | -120.9 | 71.8 | 0 | 0 | 0 | 110.7 | I102 S103 N108 A109 L110 | I102-L106 HydrophobicContact CG2-CD1 4.37Å; I102-L106 WeakPolarHBondContact O-CB 3.32Å; I102-L106 PolarHBondContact O-N 3.38Å; S103-L106 PolarHBondContact O-N 3.4Å; L106-N108 VanDerWaalsContact C-N 3.27Å; L106-N108 PolarHBondContact O-N 2.87Å; L106-A109 PolarHBondContact O-N 3.41Å; L106-L110 HydrophobicContact CB-CD1 4.19Å; L106-L110 HydrophobicContact CD2-CD1 4.32Å; L106-L110 HydrophobicContact CG-CD1 3.81Å; L106-L110 WeakPolarHBondContact O-CB 3.12Å; L106-L110 WeakPolarHBondContact O-CD1 3.33Å; L106-L110 PolarHBondContact O-N 2.87Å |
| 107 | L | 55.8 | Low | 52.9 | Low | 107 Ų | 107 | 105 Ų | 105 | 56% | 0.56 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -60.7 | -37.8 | 175.1 | -106.5 | 72.7 | 0 | 0 | 0 | 112.3 | S103 A104 | S103-L107 WeakPolarHBondContact O-CB 3.48Å; S103-L107 WeakPolarHBondContact O-CD1 3.44Å; S103-L107 PolarHBondContact O-N 2.88Å; A104-L107 PolarHBondContact O-N 2.81Å |
| 108 | N | 57.2 | Low | 52.3 | Low | 141 Ų | 141 | 101.1 Ų | 101.1 | 75% | 0.754 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -77.6 | -37.3 | 179 | -161.3 | 37 | 0 | 0 | 0 | 112.2 | A104 Q105 L106 | A104-N108 WeakPolarHBondContact O-CB 3.26Å; A104-N108 PolarHBondContact O-N 3.33Å; Q105-N108 PolarHBondContact O-N 3.03Å; L106-N108 VanDerWaalsContact C-N 3.27Å; L106-N108 PolarHBondContact O-N 2.87Å |
| 109 | A | 50.4 | Low | 51.8 | Low | 85 Ų | 85 | 108 Ų | 108 | 70% | 0.702 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -77.9 | -25 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q105 L106 G111 | Q105-A109 WeakPolarHBondContact O-CB 3.41Å; Q105-A109 PolarHBondContact O-N 3.15Å; L106-A109 PolarHBondContact O-N 3.41Å; A109-G111 PolarHBondContact O-N 3.14Å |
| 110 | L | 45.3 | Very low | 51.2 | Low | 131 Ų | 131 | 105.7 Ų | 105.7 | 69% | 0.686 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 3.1 | 173 | -96.7 | 91.5 | 0 | 0 | 0 | 113.6 | L106 L112 | L106-L110 HydrophobicContact CB-CD1 4.19Å; L106-L110 HydrophobicContact CD2-CD1 4.32Å; L106-L110 HydrophobicContact CG-CD1 3.81Å; L106-L110 WeakPolarHBondContact O-CB 3.12Å; L106-L110 WeakPolarHBondContact O-CD1 3.33Å; L106-L110 PolarHBondContact O-N 2.87Å; L110-L112 PolarHBondContact O-N 2.89Å |
| 111 | G | 46.9 | Very low | 50.5 | Low | 47 Ų | 47 | 108.5 Ų | 108.5 | 49% | 0.485 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 60.3 | 56.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A109 A113 | A109-G111 PolarHBondContact O-N 3.14Å; G111-A113 PolarHBondContact O-N 3.22Å |
| 112 | L | 48.2 | Very low | 49.8 | Very low | 137 Ų | 137 | 117.4 Ų | 117.4 | 72% | 0.717 | 68% | 0.679 | S | S | * | * | trans | -67.2 | 27 | 161 | -94.9 | 159 | 0 | 0 | 0 | 112.5 | L110 | L110-L112 PolarHBondContact O-N 2.89Š| ||
| 113 | A | 49.1 | Very low | 49.3 | Very low | 85 Ų | 85 | 119.3 Ų | 119.3 | 70% | 0.702 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -97.5 | 102 | 161.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | G111 | G111-A113 PolarHBondContact O-N 3.22Š|
| 114 | G | 49 | Very low | 49.2 | Very low | 63 Ų | 63 | 120.4 Ų | 120.4 | 65% | 0.649 | 70% | 0.697 | S | S | * | * | trans | -85.7 | 124.2 | -154.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 115 | D | 49.2 | Very low | 48.8 | Very low | 125 Ų | 125 | 122.2 Ų | 122.2 | 67% | 0.668 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -144.1 | -27.9 | 160.6 | -77 | -49.4 | 0 | 0 | 0 | 112.6 | ||
| 116 | Y | 48.4 | Very low | 48.7 | Very low | 220 Ų | 220 | 118.1 Ų | 118.1 | 86% | 0.863 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -89.3 | -14.4 | -171.6 | -54.9 | -74.8 | 0 | 0 | 0 | 115.5 | ||
| 117 | L | 46.4 | Very low | 48.4 | Very low | 160 Ų | 160 | 119.6 Ų | 119.6 | 84% | 0.838 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -102.7 | -7 | -179.3 | -62.4 | 177 | 0 | 0 | 0 | 113.4 | Q119 | L117-Q119 VanDerWaalsContact C-N 3.29Å; L117-Q119 PolarHBondContact O-N 3.45Å |
| 118 | A | 45.8 | Very low | 48.6 | Very low | 93 Ų | 93 | 119 Ų | 119 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -17.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 119 | Q | 48.4 | Very low | 48.5 | Very low | 191 Ų | 191 | 118.4 Ų | 118.4 | 89% | 0.893 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -22.3 | -170.8 | -119.5 | 170.2 | 5.9 | 0 | 0 | 114.6 | L117 | L117-Q119 VanDerWaalsContact C-N 3.29Å; L117-Q119 PolarHBondContact O-N 3.45Å |
| 120 | G | 44.3 | Very low | 49.2 | Very low | 67 Ų | 67 | 117.7 Ų | 117.7 | 69% | 0.691 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -28.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 121 | L | 41.9 | Very low | 50.2 | Low | 139 Ų | 139 | 118.4 Ų | 118.4 | 73% | 0.728 | 68% | 0.68 | S | S | * | * | trans | -133.7 | 79.2 | -165.1 | -82.1 | 152.3 | 0 | 0 | 0 | 110.9 | L123 | L121-L123 PolarHBondContact O-N 3.3Š| ||
| 122 | K | 43.4 | Very low | 51.6 | Low | 218 Ų | 218 | 122.5 Ų | 122.5 | 95% | 0.948 | 69% | 0.69 | S | S | * | * | trans | -70.8 | 53.4 | 168.1 | -144.8 | 177.5 | -173.7 | 179.4 | 0 | 110.7 | ||||
| 123 | L | 45.6 | Very low | 52.8 | Low | 133 Ų | 133 | 122.2 Ų | 122.2 | 70% | 0.696 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -138.9 | 132.1 | 173.5 | -81.8 | 166.2 | 0 | 0 | 0 | 108.1 | L121 | L121-L123 PolarHBondContact O-N 3.3Š|
| 124 | S | 49.3 | Very low | 53.9 | Low | 90 Ų | 90 | 127.3 Ų | 127.3 | 63% | 0.629 | 69% | 0.69 | S | S | * | * | trans | -37 | 117.7 | -167.1 | -168.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 125 | P | 49.9 | Very low | 55 | Low | 97 Ų | 97 | 126.2 Ų | 126.2 | 63% | 0.63 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -85.5 | -25.7 | -153.7 | -10.1 | 28.8 | 0 | 0 | 0 | 114.9 | Q129 | P125-Q129 VanDerWaalsContact O-CB 3.31Å; P125-Q129 WeakPolarHBondContact O-CB 3.41Å |
| 126 | G | 54 | Low | 56.1 | Low | 50 Ų | 50 | 122.8 Ų | 122.8 | 52% | 0.515 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -79.8 | -33.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T130 | G126-T130 PolarHBondContact O-N 3.32Å; G126-T130 PolarHBondContact O-OG1 3.34Å |
| 127 | Q | 48.2 | Very low | 57.6 | Low | 133 Ų | 133 | 114.1 Ų | 114.1 | 62% | 0.621 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -90.9 | -42.2 | -167.7 | -162.6 | 168.6 | 8.5 | 0 | 0 | 112.2 | Q129 T130 F131 | Q127-Q129 VanDerWaalsContact C-N 3.34Å; Q127-Q129 PolarHBondContact O-N 2.82Å; Q127-T130 PolarHBondContact O-N 3.39Å; Q127-F131 HydrophobicContact CG-CD2 4.06Å; Q127-F131 HydrophobicContact CG-CE2 3.77Å; Q127-F131 WeakPolarHBondContact O-CD2 3.19Å; Q127-F131 PolarHBondContact O-N 3.29Å |
| 128 | V | 59.9 | Low | 58.9 | Low | 94 Ų | 94 | 109.4 Ų | 109.4 | 57% | 0.57 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.6 | -37.3 | 178.1 | -173.7 | 0 | 0 | 0 | 0 | 110.9 | T130 F131 L132 | V128-T130 VanDerWaalsContact C-N 3.35Å; V128-T130 PolarHBondContact O-N 2.81Å; V128-F131 PolarHBondContact O-N 2.91Å; V128-L132 WeakPolarHBondContact O-CB 3.22Å; V128-L132 PolarHBondContact O-N 2.72Å |
| 129 | Q | 54.5 | Low | 60.5 | Low | 128 Ų | 128 | 110.7 Ų | 110.7 | 60% | 0.598 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.3 | -39.9 | 176.3 | -173.9 | 175.9 | 1.6 | 0 | 0 | 111.9 | P125 Q127 L132 L133 | P125-Q129 VanDerWaalsContact O-CB 3.31Å; P125-Q129 WeakPolarHBondContact O-CB 3.41Å; Q127-Q129 VanDerWaalsContact C-N 3.34Å; Q127-Q129 PolarHBondContact O-N 2.82Å; Q129-L132 PolarHBondContact O-N 2.85Å; Q129-L133 VanDerWaalsContact O-CB 3.28Å; Q129-L133 WeakPolarHBondContact O-CB 3.28Å; Q129-L133 PolarHBondContact O-N 3.35Å |
| 130 | T | 65.8 | Low | 61.8 | Low | 71 Ų | 71 | 105.8 Ų | 105.8 | 44% | 0.436 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.2 | -50.9 | 174.5 | -60 | 0 | 0 | 0 | 0 | 110 | G126 Q127 V128 L132 L133 W134 | G126-T130 PolarHBondContact O-N 3.32Å; G126-T130 PolarHBondContact O-OG1 3.34Å; Q127-T130 PolarHBondContact O-N 3.39Å; V128-T130 VanDerWaalsContact C-N 3.35Å; V128-T130 PolarHBondContact O-N 2.81Å; T130-L132 VanDerWaalsContact C-N 3.3Å; T130-L132 PolarHBondContact O-N 3.38Å; T130-L133 PolarHBondContact O-N 2.84Å; T130-W134 VanDerWaalsContact CG2-CD1 3.43Å; T130-W134 WeakPolarHBondContact O-CB 3.48Å; T130-W134 PolarHBondContact O-N 3.25Å |
| 131 | F | 67 | Low | 63 | Low | 145 Ų | 145 | 105.3 Ų | 105.3 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.2 | -36.3 | 178.4 | -79.7 | -67 | 0 | 0 | 0 | 113.7 | Q127 V128 G135 | Q127-F131 HydrophobicContact CG-CD2 4.06Å; Q127-F131 HydrophobicContact CG-CE2 3.77Å; Q127-F131 WeakPolarHBondContact O-CD2 3.19Å; Q127-F131 PolarHBondContact O-N 3.29Å; V128-F131 PolarHBondContact O-N 2.91Å; F131-G135 WeakPolarHBondContact O-CA 3.32Å; F131-G135 PolarHBondContact O-N 3.45Å |
| 132 | L | 75.8 | Confident | 64.1 | Low | 133 Ų | 133 | 106.3 Ų | 106.3 | 70% | 0.696 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -71.5 | -37.6 | 178.2 | -149.5 | 73.4 | 0 | 0 | 0 | 111.8 | V128 Q129 T130 G135 A136 | V128-L132 WeakPolarHBondContact O-CB 3.22Å; V128-L132 PolarHBondContact O-N 2.72Å; Q129-L132 PolarHBondContact O-N 2.85Å; T130-L132 VanDerWaalsContact C-N 3.3Å; T130-L132 PolarHBondContact O-N 3.38Å; L132-G135 PolarHBondContact O-N 3.41Å; L132-A136 VanDerWaalsContact O-CB 3.28Å; L132-A136 WeakPolarHBondContact O-CB 3.06Å; L132-A136 PolarHBondContact O-N 3.3Å |
| 133 | L | 73.6 | Confident | 65.7 | Low | 132 Ų | 132 | 103.7 Ų | 103.7 | 69% | 0.691 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.2 | -43.2 | 176.2 | -163.4 | 78.2 | 0 | 0 | 0 | 111.5 | Q129 T130 A136 G137 | Q129-L133 VanDerWaalsContact O-CB 3.28Å; Q129-L133 WeakPolarHBondContact O-CB 3.28Å; Q129-L133 PolarHBondContact O-N 3.35Å; T130-L133 PolarHBondContact O-N 2.84Å; L133-A136 PolarHBondContact O-N 2.75Å; L133-G137 PolarHBondContact O-N 3.45Å |
| 134 | W | 71.3 | Confident | 66.6 | Low | 192 Ų | 192 | 102.2 Ų | 102.2 | 73% | 0.727 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.9 | -37.3 | 173.9 | -82 | 90.9 | 0 | 0 | 0 | 111.8 | T130 G137 A138 | T130-W134 VanDerWaalsContact CG2-CD1 3.43Å; T130-W134 WeakPolarHBondContact O-CB 3.48Å; T130-W134 PolarHBondContact O-N 3.25Å; W134-G137 PolarHBondContact O-N 2.78Å; W134-A138 VanDerWaalsContact O-CB 3.23Å; W134-A138 WeakPolarHBondContact O-CB 3.33Å; W134-A138 PolarHBondContact O-N 2.93Å |
| 135 | G | 72.9 | Confident | 67.1 | Low | 39 Ų | 39 | 103.2 Ų | 103.2 | 40% | 0.402 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.8 | -45.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | F131 L132 A138 L139 | F131-G135 WeakPolarHBondContact O-CA 3.32Å; F131-G135 PolarHBondContact O-N 3.45Å; L132-G135 PolarHBondContact O-N 3.41Å; G135-A138 PolarHBondContact O-N 2.78Å; G135-L139 VanDerWaalsContact O-CB 3.3Å; G135-L139 WeakPolarHBondContact O-CB 3.08Å; G135-L139 PolarHBondContact O-N 3.24Å |
| 136 | A | 72.4 | Confident | 67.3 | Low | 53 Ų | 53 | 101.7 Ų | 101.7 | 44% | 0.438 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.5 | -42.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L132 L133 L139 V140 | L132-A136 VanDerWaalsContact O-CB 3.28Å; L132-A136 WeakPolarHBondContact O-CB 3.06Å; L132-A136 PolarHBondContact O-N 3.3Å; L133-A136 PolarHBondContact O-N 2.75Å; A136-L139 PolarHBondContact O-N 2.82Å; A136-V140 VanDerWaalsContact O-CG2 3.3Å; A136-V140 WeakPolarHBondContact O-CG2 3.25Å; A136-V140 PolarHBondContact O-N 3.04Å |
| 137 | G | 78.7 | Confident | 67.7 | Low | 39 Ų | 39 | 104.5 Ų | 104.5 | 40% | 0.402 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.8 | -45.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L133 W134 L139 V140 A141 | L133-G137 PolarHBondContact O-N 3.45Å; W134-G137 PolarHBondContact O-N 2.78Å; G137-L139 VanDerWaalsContact C-N 3.34Å; G137-L139 PolarHBondContact O-N 3.02Å; G137-V140 PolarHBondContact O-N 3.07Å; G137-A141 VanDerWaalsContact O-CB 3.26Å; G137-A141 WeakPolarHBondContact O-CB 3.15Å; G137-A141 PolarHBondContact O-N 3.49Å |
| 138 | A | 73.9 | Confident | 68.4 | Low | 60 Ų | 60 | 102.8 Ų | 102.8 | 50% | 0.496 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.8 | -37.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | W134 G135 A141 Y142 | W134-A138 VanDerWaalsContact O-CB 3.23Å; W134-A138 WeakPolarHBondContact O-CB 3.33Å; W134-A138 PolarHBondContact O-N 2.93Å; G135-A138 PolarHBondContact O-N 2.78Å; A138-A141 PolarHBondContact O-N 3.28Å; A138-Y142 WeakPolarHBondContact O-CB 3.25Å; A138-Y142 PolarHBondContact O-N 3.42Å |
| 139 | L | 79.3 | Confident | 68.3 | Low | 121 Ų | 121 | 103.5 Ų | 103.5 | 63% | 0.634 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.1 | -44 | 176.8 | -173.4 | 64.6 | 0 | 0 | 0 | 111.5 | G135 A136 G137 Y142 W143 | G135-L139 VanDerWaalsContact O-CB 3.3Å; G135-L139 WeakPolarHBondContact O-CB 3.08Å; G135-L139 PolarHBondContact O-N 3.24Å; A136-L139 PolarHBondContact O-N 2.82Å; G137-L139 VanDerWaalsContact C-N 3.34Å; G137-L139 PolarHBondContact O-N 3.02Å; L139-Y142 PolarHBondContact O-N 2.89Å; L139-W143 VanDerWaalsContact O-CB 3.31Å; L139-W143 WeakPolarHBondContact O-CB 3.37Å; L139-W143 PolarHBondContact O-N 2.78Å |
| 140 | V | 75.2 | Confident | 68.7 | Low | 88 Ų | 88 | 99.4 Ų | 99.4 | 53% | 0.533 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 175.2 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | A136 G137 W143 L144 | A136-V140 VanDerWaalsContact O-CG2 3.3Å; A136-V140 WeakPolarHBondContact O-CG2 3.25Å; A136-V140 PolarHBondContact O-N 3.04Å; G137-V140 PolarHBondContact O-N 3.07Å; V140-W143 PolarHBondContact O-N 3.42Å; V140-L144 PolarHBondContact O-N 3.28Å |
| 141 | A | 70.7 | Confident | 68.3 | Low | 57 Ų | 57 | 99.1 Ų | 99.1 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G137 A138 W143 L144 L145 | G137-A141 VanDerWaalsContact O-CB 3.26Å; G137-A141 WeakPolarHBondContact O-CB 3.15Å; G137-A141 PolarHBondContact O-N 3.49Å; A138-A141 PolarHBondContact O-N 3.28Å; A141-W143 VanDerWaalsContact C-N 3.34Å; A141-W143 PolarHBondContact O-N 3.03Å; A141-L144 PolarHBondContact O-N 2.94Å; A141-L145 VanDerWaalsContact O-CB 3.27Å; A141-L145 WeakPolarHBondContact O-CB 3.35Å; A141-L145 PolarHBondContact O-N 3.22Å |
| 142 | Y | 63.8 | Low | 67.8 | Low | 160 Ų | 160 | 94 Ų | 94 | 63% | 0.627 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.1 | -41.5 | 174.9 | 177.1 | -100.5 | 0 | 0 | 0 | 111.8 | A138 L139 L145 S146 | A138-Y142 WeakPolarHBondContact O-CB 3.25Å; A138-Y142 PolarHBondContact O-N 3.42Å; L139-Y142 PolarHBondContact O-N 2.89Å; Y142-L145 PolarHBondContact O-N 3.48Å; Y142-S146 VanDerWaalsContact O-CB 3.29Å; Y142-S146 WeakPolarHBondContact O-CB 3.22Å; Y142-S146 PolarHBondContact O-N 3.35Å |
| 143 | W | 77.3 | Confident | 67.1 | Low | 163 Ų | 163 | 92.9 Ų | 92.9 | 62% | 0.617 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.3 | -46 | 177 | -173 | 81.2 | 0 | 0 | 0 | 111.8 | L139 V140 A141 L145 S146 L147 | L139-W143 VanDerWaalsContact O-CB 3.31Å; L139-W143 WeakPolarHBondContact O-CB 3.37Å; L139-W143 PolarHBondContact O-N 2.78Å; V140-W143 PolarHBondContact O-N 3.42Å; A141-W143 VanDerWaalsContact C-N 3.34Å; A141-W143 PolarHBondContact O-N 3.03Å; W143-L145 VanDerWaalsContact C-N 3.34Å; W143-L145 PolarHBondContact O-N 2.95Å; W143-S146 PolarHBondContact O-N 2.84Å; W143-L147 HydrophobicContact CZ2-CD1 4.49Å; W143-L147 WeakPolarHBondContact O-CB 3.38Å; W143-L147 PolarHBondContact O-N 3.3Å |
| 144 | L | 64.8 | Low | 66.5 | Low | 101 Ų | 101 | 89.6 Ų | 89.6 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 173.9 | -119.3 | 73.1 | 0 | 0 | 0 | 111.7 | V140 A141 L147 L148 | V140-L144 PolarHBondContact O-N 3.28Å; A141-L144 PolarHBondContact O-N 2.94Å; L144-L147 PolarHBondContact O-N 2.91Å; L144-L148 WeakPolarHBondContact O-CB 3.2Å; L144-L148 PolarHBondContact O-N 2.9Å |
| 145 | L | 59.6 | Low | 65.7 | Low | 112 Ų | 112 | 80.6 Ų | 80.6 | 59% | 0.586 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66 | -40.5 | -179.4 | -162.5 | 69.7 | 0 | 0 | 0 | 111.2 | A141 Y142 W143 L148 L149 | A141-L145 VanDerWaalsContact O-CB 3.27Å; A141-L145 WeakPolarHBondContact O-CB 3.35Å; A141-L145 PolarHBondContact O-N 3.22Å; Y142-L145 PolarHBondContact O-N 3.48Å; W143-L145 VanDerWaalsContact C-N 3.34Å; W143-L145 PolarHBondContact O-N 2.95Å; L145-L148 PolarHBondContact O-N 3.36Å; L145-L149 WeakPolarHBondContact O-CB 3.43Å; L145-L149 PolarHBondContact O-N 3.47Å |
| 146 | S | 55.8 | Low | 64.8 | Low | 64 Ų | 64 | 83 Ų | 83 | 45% | 0.448 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 175.1 | -171 | 0 | 0 | 0 | 0 | 111.7 | Y142 W143 L149 G150 | Y142-S146 VanDerWaalsContact O-CB 3.29Å; Y142-S146 WeakPolarHBondContact O-CB 3.22Å; Y142-S146 PolarHBondContact O-N 3.35Å; W143-S146 PolarHBondContact O-N 2.84Å; S146-L149 PolarHBondContact O-N 3.35Å; S146-G150 PolarHBondContact O-N 3.25Å |
| 147 | L | 62.3 | Low | 64.4 | Low | 109 Ų | 109 | 82.8 Ų | 82.8 | 57% | 0.571 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.8 | -45.7 | 174.7 | -163.3 | 98.3 | 0 | 0 | 0 | 111.4 | W143 L144 G150 L151 | W143-L147 HydrophobicContact CZ2-CD1 4.49Å; W143-L147 WeakPolarHBondContact O-CB 3.38Å; W143-L147 PolarHBondContact O-N 3.3Å; L144-L147 PolarHBondContact O-N 2.91Å; L147-G150 PolarHBondContact O-N 3.31Å; L147-L151 WeakPolarHBondContact O-CB 3.1Å; L147-L151 PolarHBondContact O-N 3.28Å |
| 148 | L | 63 | Low | 63.7 | Low | 97 Ų | 97 | 84.4 Ų | 84.4 | 51% | 0.508 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 178.2 | -173.1 | 66.7 | 0 | 0 | 0 | 111 | L144 L145 L151 V152 | L144-L148 WeakPolarHBondContact O-CB 3.2Å; L144-L148 PolarHBondContact O-N 2.9Å; L145-L148 PolarHBondContact O-N 3.36Å; L148-L151 PolarHBondContact O-N 2.83Å; L148-V152 VanDerWaalsContact O-CG2 3.3Å; L148-V152 WeakPolarHBondContact O-CG2 2.99Å; L148-V152 PolarHBondContact O-N 3.32Å |
| 149 | L | 57.6 | Low | 62.7 | Low | 110 Ų | 110 | 84.6 Ų | 84.6 | 58% | 0.576 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64.9 | -43.2 | 179.3 | -149.8 | 72.4 | 0 | 0 | 0 | 111.3 | L145 S146 L151 V152 L153 | L145-L149 WeakPolarHBondContact O-CB 3.43Å; L145-L149 PolarHBondContact O-N 3.47Å; S146-L149 PolarHBondContact O-N 3.35Å; L149-L151 VanDerWaalsContact C-N 3.29Å; L149-L151 PolarHBondContact O-N 2.85Å; L149-V152 PolarHBondContact O-N 3.27Å; L149-L153 HydrophobicContact CG-CD1 4.11Å; L149-L153 WeakPolarHBondContact O-CD1 3.16Å; L149-L153 PolarHBondContact O-N 2.93Å |
| 150 | G | 62 | Low | 62 | Low | 41 Ų | 41 | 83.7 Ų | 83.7 | 42% | 0.423 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.6 | -39.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S146 L147 L153 A154 | S146-G150 PolarHBondContact O-N 3.25Å; L147-G150 PolarHBondContact O-N 3.31Å; G150-L153 PolarHBondContact O-N 2.84Å; G150-A154 WeakPolarHBondContact O-CB 3.28Å; G150-A154 PolarHBondContact O-N 3.46Å |
| 151 | L | 57.8 | Low | 61.7 | Low | 65 Ų | 65 | 85.6 Ų | 85.6 | 34% | 0.34 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68 | -43 | 176.6 | -168 | 65 | 0 | 0 | 0 | 111.9 | V21 L25 L147 L148 L149 A154 L155 | V21-L151 HydrophobicContact CG1-CD1 3.88Å; V21-L151 HydrophobicContact CG1-CD2 4.14Å; L25-L151 HydrophobicContact CD1-CD2 3.67Å; L25-L151 HydrophobicContact CD1-CG 4.39Å; L25-L151 HydrophobicContact CD2-CB 4.43Å; L25-L151 HydrophobicContact CD2-CD2 3.9Å; L25-L151 HydrophobicContact CD2-CG 3.68Å; L25-L151 HydrophobicContact CG-CD2 4.42Å; L147-L151 WeakPolarHBondContact O-CB 3.1Å; L147-L151 PolarHBondContact O-N 3.28Å; L148-L151 PolarHBondContact O-N 2.83Å; L149-L151 VanDerWaalsContact C-N 3.29Å; L149-L151 PolarHBondContact O-N 2.85Å; L151-A154 PolarHBondContact O-N 3.02Å; L151-L155 VanDerWaalsContact O-CB 3.23Å; L151-L155 WeakPolarHBondContact O-CB 3.42Å; L151-L155 PolarHBondContact O-N 2.78Å |
| 152 | V | 56.5 | Low | 61.2 | Low | 37 Ų | 37 | 84.2 Ų | 84.2 | 22% | 0.224 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 174.9 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | L25 L148 L149 L155 L156 | L25-V152 HydrophobicContact CD2-CG2 4.47Å; L148-V152 VanDerWaalsContact O-CG2 3.3Å; L148-V152 WeakPolarHBondContact O-CG2 2.99Å; L148-V152 PolarHBondContact O-N 3.32Å; L149-V152 PolarHBondContact O-N 3.27Å; V152-L155 WeakPolarHBondContact O-CB 3.3Å; V152-L155 PolarHBondContact O-N 3.19Å; V152-L156 VanDerWaalsContact O-CB 3.22Å; V152-L156 WeakPolarHBondContact O-CB 3.18Å; V152-L156 PolarHBondContact O-N 3.04Å |
| 153 | L | 61.1 | Low | 61 | Low | 111 Ų | 111 | 81.3 Ų | 81.3 | 58% | 0.581 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66 | -40.8 | 177.7 | -92.8 | 73.3 | 0 | 0 | 0 | 112.2 | L149 G150 L155 L156 G157 | L149-L153 HydrophobicContact CG-CD1 4.11Å; L149-L153 WeakPolarHBondContact O-CD1 3.16Å; L149-L153 PolarHBondContact O-N 2.93Å; G150-L153 PolarHBondContact O-N 2.84Å; L153-L155 VanDerWaalsContact C-N 3.32Å; L153-L156 PolarHBondContact O-N 3.08Å; L153-G157 PolarHBondContact O-N 3.44Å |
| 154 | A | 60 | Low | 60.2 | Low | 63 Ų | 63 | 78.5 Ų | 78.5 | 52% | 0.521 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G150 L151 R158 | G150-A154 WeakPolarHBondContact O-CB 3.28Å; G150-A154 PolarHBondContact O-N 3.46Å; L151-A154 PolarHBondContact O-N 3.02Å; A154-R158 PolarHBondContact O-N 3.16Å; A154-R158 VanDerWaalsContact O-N 3.08Å |
| 155 | L | 55.4 | Low | 60.1 | Low | 3 Ų | 3 | 78 Ų | 78 | 2% | 0.016 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -60.2 | -53.4 | 174.5 | -176.2 | 72.8 | 0 | 0 | 0 | 110.5 | L22 L25 I26 L151 V152 L153 G157 R158 I159 | L22-L155 HydrophobicContact CB-CD1 4.03Å; L22-L155 HydrophobicContact CD1-CB 4.25Å; L22-L155 HydrophobicContact CD1-CD1 3.14Å; L22-L155 HydrophobicContact CD1-CG 4.17Å; L22-L155 HydrophobicContact CG-CD1 3.3Å; L22-L155 VanDerWaalsContact O-CD1 3.29Å; L22-L155 WeakPolarHBondContact O-CD1 3.4Å; L25-L155 HydrophobicContact CB-CD1 4.02Å; L25-L155 HydrophobicContact CB-CD2 3.85Å; L25-L155 HydrophobicContact CB-CG 4.46Å; L25-L155 HydrophobicContact CD2-CB 3.86Å; L25-L155 HydrophobicContact CD2-CD1 4.37Å; L25-L155 HydrophobicContact CD2-CD2 3.54Å; L25-L155 HydrophobicContact CD2-CG 4.07Å; L25-L155 HydrophobicContact CG-CD2 3.9Å; I26-L155 HydrophobicContact CD1-CD1 4.11Å; I26-L155 HydrophobicContact CG1-CD1 3.74Å; I26-L155 HydrophobicContact CG1-CD2 4.34Å; I26-L155 HydrophobicContact CG1-CG 4.38Å; L151-L155 VanDerWaalsContact O-CB 3.23Å; L151-L155 WeakPolarHBondContact O-CB 3.42Å; L151-L155 PolarHBondContact O-N 2.78Å; V152-L155 WeakPolarHBondContact O-CB 3.3Å; V152-L155 PolarHBondContact O-N 3.19Å; L153-L155 VanDerWaalsContact C-N 3.32Å; L155-G157 VanDerWaalsContact C-N 3.33Å; L155-G157 PolarHBondContact O-N 3.38Å; L155-R158 CarbonylContact O-C 3.6Å; L155-R158 WeakPolarHBondContact O-CB 3.42Å; L155-R158 PolarHBondContact O-N 2.86Å; L155-I159 HydrophobicContact CD1-CD1 4.12Å; L155-I159 HydrophobicContact CD1-CG1 4.45Å; L155-I159 HydrophobicContact CD2-CD1 3.92Å; L155-I159 HydrophobicContact CG-CD1 3.63Å; L155-I159 HydrophobicContact CG-CG1 4.3Å; L155-I159 WeakPolarHBondContact O-CG1 3.28Å; L155-I159 PolarHBondContact O-N 3.5Å |
| 156 | L | 54.7 | Low | 60.1 | Low | 90 Ų | 90 | 77 Ų | 77 | 47% | 0.471 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | -178.1 | -163.2 | 63.5 | 0 | 0 | 0 | 110.5 | V152 L153 R158 I159 L160 | V152-L156 VanDerWaalsContact O-CB 3.22Å; V152-L156 WeakPolarHBondContact O-CB 3.18Å; V152-L156 PolarHBondContact O-N 3.04Å; L153-L156 PolarHBondContact O-N 3.08Å; L156-R158 VanDerWaalsContact C-N 3.25Å; L156-R158 PolarHBondContact O-N 3.4Å; L156-I159 PolarHBondContact O-N 3.39Å; L156-L160 HydrophobicContact CB-CD1 4.4Å; L156-L160 HydrophobicContact CD1-CD1 3.73Å; L156-L160 HydrophobicContact CD2-CD1 4.47Å; L156-L160 HydrophobicContact CG-CD1 3.5Å; L156-L160 VanDerWaalsContact CG-CD1 3.5Å; L156-L160 WeakPolarHBondContact O-CB 3.26Å; L156-L160 WeakPolarHBondContact O-CD1 3.4Å; L156-L160 PolarHBondContact O-N 3.32Å |
| 157 | G | 62.3 | Low | 60.2 | Low | 47 Ų | 47 | 79.2 Ų | 79.2 | 49% | 0.485 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -57.1 | -37.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | L153 L155 W161 | L153-G157 PolarHBondContact O-N 3.44Å; L155-G157 VanDerWaalsContact C-N 3.33Å; L155-G157 PolarHBondContact O-N 3.38Å; G157-W161 VanDerWaalsContact O-CB 3.28Å; G157-W161 WeakPolarHBondContact O-CB 3.28Å; G157-W161 PolarHBondContact O-N 3.42Å; G157-W161 VanDerWaalsContact O-N 3.16Å |
| 158 | R | 64.6 | Low | 60.1 | Low | 73 Ų | 73 | 76 Ų | 76 | 28% | 0.275 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -76.7 | -41.1 | 177.8 | -169.5 | 73.9 | 81.4 | 130.2 | 10.3 | 112.9 | L22 A154 L155 L156 W161 G162 | L22-R158 HydrophobicContact CD1-CB 3.57Å; L22-R158 HydrophobicContact CD1-CG 3.8Å; L22-R158 HydrophobicContact CD2-CB 4.16Å; L22-R158 HydrophobicContact CD2-CG 3.51Å; L22-R158 HydrophobicContact CG-CG 4.33Å; A154-R158 PolarHBondContact O-N 3.16Å; A154-R158 VanDerWaalsContact O-N 3.08Å; L155-R158 CarbonylContact O-C 3.6Å; L155-R158 WeakPolarHBondContact O-CB 3.42Å; L155-R158 PolarHBondContact O-N 2.86Å; L156-R158 VanDerWaalsContact C-N 3.25Å; L156-R158 PolarHBondContact O-N 3.4Å; R158-W161 PolarHBondContact O-N 2.89Å; R158-G162 PolarHBondContact O-N 3.45Å |
| 159 | I | 54.1 | Low | 59.9 | Low | 65 Ų | 65 | 76.3 Ų | 76.3 | 33% | 0.333 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | 177.5 | -64.4 | 166.9 | 0 | 0 | 0 | 109.9 | I26 L155 L156 W161 G162 L163 | I26-I159 HydrophobicContact CD1-CD1 4.09Å; I26-I159 HydrophobicContact CD1-CG1 3.84Å; I26-I159 HydrophobicContact CG1-CD1 3.56Å; I26-I159 HydrophobicContact CG1-CG1 3.91Å; L155-I159 HydrophobicContact CD1-CD1 4.12Å; L155-I159 HydrophobicContact CD1-CG1 4.45Å; L155-I159 HydrophobicContact CD2-CD1 3.92Å; L155-I159 HydrophobicContact CG-CD1 3.63Å; L155-I159 HydrophobicContact CG-CG1 4.3Å; L155-I159 WeakPolarHBondContact O-CG1 3.28Å; L155-I159 PolarHBondContact O-N 3.5Å; L156-I159 PolarHBondContact O-N 3.39Å; I159-W161 VanDerWaalsContact C-N 3.27Å; I159-W161 PolarHBondContact O-N 3Å; I159-G162 PolarHBondContact O-N 3.46Å; I159-L163 WeakPolarHBondContact O-CB 3.39Å; I159-L163 PolarHBondContact O-N 3.43Å |
| 160 | L | 64.1 | Low | 59.8 | Low | 102 Ų | 102 | 73.9 Ų | 73.9 | 53% | 0.534 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.5 | -38.1 | 175.5 | -87.3 | 103.4 | 0 | 0 | 0 | 111.8 | L156 K164 | L156-L160 HydrophobicContact CB-CD1 4.4Å; L156-L160 HydrophobicContact CD1-CD1 3.73Å; L156-L160 HydrophobicContact CD2-CD1 4.47Å; L156-L160 HydrophobicContact CG-CD1 3.5Å; L156-L160 VanDerWaalsContact CG-CD1 3.5Å; L156-L160 WeakPolarHBondContact O-CB 3.26Å; L156-L160 WeakPolarHBondContact O-CD1 3.4Å; L156-L160 PolarHBondContact O-N 3.32Å; L160-K164 WeakPolarHBondContact O-CB 3.08Å; L160-K164 PolarHBondContact O-N 2.86Å |
| 161 | W | 68.2 | Low | 59.5 | Low | 128 Ų | 128 | 73.9 Ų | 73.9 | 49% | 0.485 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 174.9 | -167.8 | 79.5 | 0 | 0 | 0 | 112 | G157 R158 I159 K164 L165 | G157-W161 VanDerWaalsContact O-CB 3.28Å; G157-W161 WeakPolarHBondContact O-CB 3.28Å; G157-W161 PolarHBondContact O-N 3.42Å; G157-W161 VanDerWaalsContact O-N 3.16Å; R158-W161 PolarHBondContact O-N 2.89Å; I159-W161 VanDerWaalsContact C-N 3.27Å; I159-W161 PolarHBondContact O-N 3Å; W161-K164 PolarHBondContact O-N 3.45Å; W161-L165 HydrophobicContact CE3-CD1 4.45Å; W161-L165 HydrophobicContact CH2-CD1 3.92Å; W161-L165 HydrophobicContact CZ2-CD1 4.06Å; W161-L165 HydrophobicContact CZ3-CD1 4.12Å; W161-L165 PolarHBondContact O-N 2.89Å; W161-L165 VanDerWaalsContact O-N 3.15Å |
| 162 | G | 60.9 | Low | 59.4 | Low | 28 Ų | 28 | 73.2 Ų | 73.2 | 29% | 0.289 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R158 I159 K164 L165 V166 | R158-G162 PolarHBondContact O-N 3.45Å; I159-G162 PolarHBondContact O-N 3.46Å; G162-K164 VanDerWaalsContact C-N 3.31Å; G162-K164 PolarHBondContact O-N 3.34Å; G162-L165 CarbonylContact O-C 3.54Å; G162-L165 WeakPolarHBondContact O-CA 3.29Å; G162-L165 WeakPolarHBondContact O-CB 3.33Å; G162-L165 PolarHBondContact O-N 3.31Å; G162-V166 WeakPolarHBondContact O-CG2 3.35Å; G162-V166 PolarHBondContact O-N 2.91Å |
| 163 | L | 59.8 | Low | 59.2 | Low | 99 Ų | 99 | 74.4 Ų | 74.4 | 52% | 0.518 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 177.1 | -176.6 | 63 | 0 | 0 | 0 | 111.3 | I159 L165 V166 I167 | I159-L163 WeakPolarHBondContact O-CB 3.39Å; I159-L163 PolarHBondContact O-N 3.43Å; L163-L165 VanDerWaalsContact C-N 3.26Å; L163-L165 PolarHBondContact O-N 2.88Å; L163-V166 PolarHBondContact O-N 2.88Å; L163-I167 HydrophobicContact CD1-CD1 4.16Å; L163-I167 HydrophobicContact CD1-CG1 4.32Å; L163-I167 HydrophobicContact CG-CD1 3.89Å; L163-I167 HydrophobicContact CG-CG1 4.45Å; L163-I167 WeakPolarHBondContact O-CB 3.36Å; L163-I167 VanDerWaalsContact O-CG1 3.3Å; L163-I167 WeakPolarHBondContact O-CG1 3.3Å; L163-I167 PolarHBondContact O-N 3.26Å |
| 164 | K | 59.9 | Low | 58.8 | Low | 103 Ų | 103 | 71.9 Ų | 71.9 | 45% | 0.448 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.3 | -36.7 | 174.2 | -163.4 | 171.5 | 178.2 | 175.3 | 0 | 111.7 | L160 W161 G162 F168 | L160-K164 WeakPolarHBondContact O-CB 3.08Å; L160-K164 PolarHBondContact O-N 2.86Å; W161-K164 PolarHBondContact O-N 3.45Å; G162-K164 VanDerWaalsContact C-N 3.31Å; G162-K164 PolarHBondContact O-N 3.34Å; K164-F168 VanDerWaalsContact O-CB 3.22Å; K164-F168 WeakPolarHBondContact O-CB 3.47Å; K164-F168 PolarHBondContact O-N 3.47Å; K164-F168 VanDerWaalsContact O-N 3.14Å |
| 165 | L | 61.7 | Low | 58.5 | Low | 90 Ų | 90 | 73.9 Ų | 73.9 | 47% | 0.471 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 174.1 | -132.3 | 98.7 | 0 | 0 | 0 | 112.3 | W161 G162 L163 F168 L169 | W161-L165 HydrophobicContact CE3-CD1 4.45Å; W161-L165 HydrophobicContact CH2-CD1 3.92Å; W161-L165 HydrophobicContact CZ2-CD1 4.06Å; W161-L165 HydrophobicContact CZ3-CD1 4.12Å; W161-L165 PolarHBondContact O-N 2.89Å; W161-L165 VanDerWaalsContact O-N 3.15Å; G162-L165 CarbonylContact O-C 3.54Å; G162-L165 WeakPolarHBondContact O-CA 3.29Å; G162-L165 WeakPolarHBondContact O-CB 3.33Å; G162-L165 PolarHBondContact O-N 3.31Å; L163-L165 VanDerWaalsContact C-N 3.26Å; L163-L165 PolarHBondContact O-N 2.88Å; L165-F168 WeakPolarHBondContact O-CB 3.28Å; L165-F168 PolarHBondContact O-N 2.97Å; L165-L169 WeakPolarHBondContact O-CB 3.46Å; L165-L169 PolarHBondContact O-N 2.8Å |
| 166 | V | 59.9 | Low | 58.3 | Low | 92 Ų | 92 | 76.5 Ų | 76.5 | 56% | 0.558 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -67.7 | -45.2 | -179.7 | 171.7 | 0 | 0 | 0 | 0 | 111 | G162 L163 F168 L169 A170 | G162-V166 WeakPolarHBondContact O-CG2 3.35Å; G162-V166 PolarHBondContact O-N 2.91Å; L163-V166 PolarHBondContact O-N 2.88Å; V166-F168 VanDerWaalsContact C-N 3.28Å; V166-F168 PolarHBondContact O-N 3.44Å; V166-L169 PolarHBondContact O-N 2.92Å; V166-A170 VanDerWaalsContact O-CB 3.3Å; V166-A170 WeakPolarHBondContact O-CB 3.48Å; V166-A170 PolarHBondContact O-N 3.3Å |
| 167 | I | 58.7 | Low | 58.1 | Low | 110 Ų | 110 | 81.1 Ų | 81.1 | 56% | 0.564 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61 | -40.9 | 176 | -68.7 | 169.5 | 0 | 0 | 0 | 110.4 | L163 G171 | L163-I167 HydrophobicContact CD1-CD1 4.16Å; L163-I167 HydrophobicContact CD1-CG1 4.32Å; L163-I167 HydrophobicContact CG-CD1 3.89Å; L163-I167 HydrophobicContact CG-CG1 4.45Å; L163-I167 WeakPolarHBondContact O-CB 3.36Å; L163-I167 VanDerWaalsContact O-CG1 3.3Å; L163-I167 WeakPolarHBondContact O-CG1 3.3Å; L163-I167 PolarHBondContact O-N 3.26Å; I167-G171 PolarHBondContact O-N 2.84Å |
| 168 | F | 59.9 | Low | 57.6 | Low | 42 Ų | 42 | 83.2 Ų | 83.2 | 18% | 0.184 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 175.4 | 176.3 | -81.4 | 0 | 0 | 0 | 112.2 | K164 L165 V166 G171 F172 L192 L195 L199 | K164-F168 VanDerWaalsContact O-CB 3.22Å; K164-F168 WeakPolarHBondContact O-CB 3.47Å; K164-F168 PolarHBondContact O-N 3.47Å; K164-F168 VanDerWaalsContact O-N 3.14Å; L165-F168 WeakPolarHBondContact O-CB 3.28Å; L165-F168 PolarHBondContact O-N 2.97Å; V166-F168 VanDerWaalsContact C-N 3.28Å; V166-F168 PolarHBondContact O-N 3.44Å; F168-G171 PolarHBondContact O-N 3.44Å; F168-F172 WeakPolarHBondContact O-CB 3.28Å; F168-F172 PolarHBondContact O-N 3.35Å; F168-L192 HydrophobicContact CD1-CD1 4.47Å; F168-L192 HydrophobicContact CE1-CD1 3.35Å; F168-L192 HydrophobicContact CZ-CD1 3.56Å; F168-L195 HydrophobicContact CD2-CD2 3.59Å; F168-L195 HydrophobicContact CD2-CG 4.03Å; F168-L195 HydrophobicContact CE2-CB 3.68Å; F168-L195 HydrophobicContact CE2-CD2 3.19Å; F168-L195 HydrophobicContact CE2-CG 3.33Å; F168-L195 HydrophobicContact CZ-CB 4.07Å; F168-L195 HydrophobicContact CZ-CD2 3.99Å; F168-L195 HydrophobicContact CZ-CG 4.19Å; F168-L199 HydrophobicContact CD2-CD1 4.36Å; F168-L199 HydrophobicContact CD2-CD2 3.78Å; F168-L199 HydrophobicContact CE2-CD1 4.3Å; F168-L199 HydrophobicContact CE2-CD2 4.02Å; F168-L199 HydrophobicContact CG-CD2 4.44Å |
| 169 | L | 59.5 | Low | 56.7 | Low | 104 Ų | 104 | 82.2 Ų | 82.2 | 55% | 0.545 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.5 | -40.3 | 179.1 | -171.4 | 65 | 0 | 0 | 0 | 111.3 | L165 V166 F172 V173 | L165-L169 WeakPolarHBondContact O-CB 3.46Å; L165-L169 PolarHBondContact O-N 2.8Å; V166-L169 PolarHBondContact O-N 2.92Å; L169-F172 HydrophobicContact CD1-CD1 4.41Å; L169-F172 WeakPolarHBondContact O-CB 3.38Å; L169-F172 PolarHBondContact O-N 2.86Å; L169-V173 VanDerWaalsContact O-CG2 3.31Å; L169-V173 WeakPolarHBondContact O-CG2 3.27Å; L169-V173 PolarHBondContact O-N 2.99Å |
| 170 | A | 53.6 | Low | 56.7 | Low | 58 Ų | 58 | 84.6 Ų | 84.6 | 48% | 0.479 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V166 F172 V173 A174 | V166-A170 VanDerWaalsContact O-CB 3.3Å; V166-A170 WeakPolarHBondContact O-CB 3.48Å; V166-A170 PolarHBondContact O-N 3.3Å; A170-F172 VanDerWaalsContact C-N 3.33Å; A170-F172 PolarHBondContact O-N 3.41Å; A170-V173 PolarHBondContact O-N 3.21Å; A170-A174 WeakPolarHBondContact O-CB 3.45Å; A170-A174 PolarHBondContact O-N 2.86Å |
| 171 | G | 56.2 | Low | 56 | Low | 41 Ų | 41 | 84.5 Ų | 84.5 | 42% | 0.423 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I167 F168 A174 L175 | I167-G171 PolarHBondContact O-N 2.84Å; F168-G171 PolarHBondContact O-N 3.44Å; G171-A174 PolarHBondContact O-N 3.34Å; G171-L175 WeakPolarHBondContact O-CB 3.48Å; G171-L175 PolarHBondContact O-N 2.83Å |
| 172 | F | 55.2 | Low | 55.4 | Low | 51 Ų | 51 | 82.8 Ų | 82.8 | 22% | 0.224 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -62.6 | -48 | 174.3 | 174.6 | -107.9 | 0 | 0 | 0 | 112.1 | F168 L169 A170 A174 L175 V176 L188 L192 | F168-F172 WeakPolarHBondContact O-CB 3.28Å; F168-F172 PolarHBondContact O-N 3.35Å; L169-F172 HydrophobicContact CD1-CD1 4.41Å; L169-F172 WeakPolarHBondContact O-CB 3.38Å; L169-F172 PolarHBondContact O-N 2.86Å; A170-F172 VanDerWaalsContact C-N 3.33Å; A170-F172 PolarHBondContact O-N 3.41Å; F172-A174 VanDerWaalsContact C-N 3.35Å; F172-A174 PolarHBondContact O-N 3.12Å; F172-L175 PolarHBondContact O-N 3.48Å; F172-V176 HydrophobicContact CD1-CG2 4.24Å; F172-V176 HydrophobicContact CD2-CG2 3.99Å; F172-V176 HydrophobicContact CE1-CG2 3.89Å; F172-V176 HydrophobicContact CE2-CG2 3.63Å; F172-V176 HydrophobicContact CG-CG2 4.31Å; F172-V176 HydrophobicContact CZ-CG2 3.58Å; F172-V176 WeakPolarHBondContact O-CB 3.33Å; F172-V176 WeakPolarHBondContact O-CG2 3.28Å; F172-V176 PolarHBondContact O-N 2.97Å; F172-L188 HydrophobicContact CD2-CD2 4.23Å; F172-L188 HydrophobicContact CE2-CD2 4.13Å; F172-L192 HydrophobicContact CB-CD1 4.27Å; F172-L192 HydrophobicContact CD2-CB 4.35Å; F172-L192 HydrophobicContact CD2-CD1 3.48Å; F172-L192 VanDerWaalsContact CD2-CD1 3.48Å; F172-L192 HydrophobicContact CD2-CD2 4.16Å; F172-L192 HydrophobicContact CD2-CG 4.21Å; F172-L192 HydrophobicContact CE1-CD2 4.3Å; F172-L192 HydrophobicContact CE2-CB 4.06Å; F172-L192 HydrophobicContact CE2-CD1 3.85Å; F172-L192 HydrophobicContact CE2-CD2 3.65Å; F172-L192 HydrophobicContact CE2-CG 4.07Å; F172-L192 HydrophobicContact CG-CD1 3.85Å; F172-L192 HydrophobicContact CZ-CD2 3.72Å |
| 173 | V | 53.1 | Low | 55 | Low | 63 Ų | 63 | 85.8 Ų | 85.8 | 38% | 0.382 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 179.1 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | L169 A170 L175 V176 R177 | L169-V173 VanDerWaalsContact O-CG2 3.31Å; L169-V173 WeakPolarHBondContact O-CG2 3.27Å; L169-V173 PolarHBondContact O-N 2.99Å; A170-V173 PolarHBondContact O-N 3.21Å; V173-L175 VanDerWaalsContact C-N 3.32Å; V173-L175 PolarHBondContact O-N 2.84Å; V173-V176 PolarHBondContact O-N 3.38Å; V173-R177 WeakPolarHBondContact O-CB 3.17Å; V173-R177 PolarHBondContact O-N 2.84Å |
| 174 | A | 53.6 | Low | 54.7 | Low | 58 Ų | 58 | 83.5 Ų | 83.5 | 48% | 0.479 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A170 G171 F172 S178 | A170-A174 WeakPolarHBondContact O-CB 3.45Å; A170-A174 PolarHBondContact O-N 2.86Å; G171-A174 PolarHBondContact O-N 3.34Å; F172-A174 VanDerWaalsContact C-N 3.35Å; F172-A174 PolarHBondContact O-N 3.12Å; A174-S178 PolarHBondContact O-N 3.37Å; A174-S178 PolarHBondContact O-OG 2.92Å |
| 175 | L | 53.7 | Low | 54.4 | Low | 105 Ų | 105 | 86.1 Ų | 86.1 | 55% | 0.55 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73.4 | -38.1 | 178.4 | -161.1 | 66.1 | 0 | 0 | 0 | 112.3 | G171 F172 V173 S178 L188 | G171-L175 WeakPolarHBondContact O-CB 3.48Å; G171-L175 PolarHBondContact O-N 2.83Å; F172-L175 PolarHBondContact O-N 3.48Å; V173-L175 VanDerWaalsContact C-N 3.32Å; V173-L175 PolarHBondContact O-N 2.84Å; L175-S178 PolarHBondContact O-N 2.87Å; L175-L188 HydrophobicContact CB-CD2 4.11Å; L175-L188 HydrophobicContact CD2-CD2 3.7Å; L175-L188 HydrophobicContact CG-CD2 3.88Å |
| 176 | V | 51 | Low | 54.1 | Low | 57 Ų | 57 | 84.8 Ų | 84.8 | 35% | 0.345 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.8 | -39.6 | 175.3 | 169.1 | 0 | 0 | 0 | 0 | 112.1 | F172 V173 S178 L188 | F172-V176 HydrophobicContact CD1-CG2 4.24Å; F172-V176 HydrophobicContact CD2-CG2 3.99Å; F172-V176 HydrophobicContact CE1-CG2 3.89Å; F172-V176 HydrophobicContact CE2-CG2 3.63Å; F172-V176 HydrophobicContact CG-CG2 4.31Å; F172-V176 HydrophobicContact CZ-CG2 3.58Å; F172-V176 WeakPolarHBondContact O-CB 3.33Å; F172-V176 WeakPolarHBondContact O-CG2 3.28Å; F172-V176 PolarHBondContact O-N 2.97Å; V173-V176 PolarHBondContact O-N 3.38Å; V176-S178 PolarHBondContact O-N 3.31Å; V176-L188 HydrophobicContact CG2-CD1 4.05Å; V176-L188 HydrophobicContact CG2-CD2 3.9Å; V176-L188 HydrophobicContact CG2-CG 4.48Å |
| 177 | R | 51.1 | Low | 53.8 | Low | 188 Ų | 188 | 85.7 Ų | 85.7 | 71% | 0.709 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -71.2 | -16 | 177.5 | -85.6 | -158.9 | 174.4 | 147.4 | -1.2 | 113.8 | V173 | V173-R177 WeakPolarHBondContact O-CB 3.17Å; V173-R177 PolarHBondContact O-N 2.84Å |
| 178 | S | 50.3 | Low | 53.6 | Low | 90 Ų | 90 | 81.3 Ų | 81.3 | 63% | 0.629 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -5.3 | -176.8 | -60.2 | 0 | 0 | 0 | 0 | 114 | A174 L175 V176 | A174-S178 PolarHBondContact O-N 3.37Å; A174-S178 PolarHBondContact O-OG 2.92Å; L175-S178 PolarHBondContact O-N 2.87Å; V176-S178 PolarHBondContact O-N 3.31Å |
| 179 | V | 45.9 | Very low | 53.5 | Low | 53 Ų | 53 | 84.6 Ų | 84.6 | 32% | 0.321 | 49% | 0.49 | S | S | . | . | trans | -141.1 | 121.6 | -174.8 | -171.4 | 0 | 0 | 0 | 0 | 114.2 | T184 | V179-T184 HydrophobicContact CG1-CG2 4.04Š| ||
| 180 | P | 53.5 | Low | 53.4 | Low | 115 Ų | 115 | 84 Ų | 84 | 75% | 0.747 | 49% | 0.487 | S | S | * | . | trans | -77.2 | -13.6 | 179.1 | -18.6 | 32 | 0 | 0 | 0 | 117.9 | ||||
| 181 | D | 49.6 | Very low | 53.6 | Low | 100 Ų | 100 | 83.7 Ų | 83.7 | 54% | 0.535 | 48% | 0.484 | S | S | . | . | trans | -90 | 140.3 | -166 | -85.8 | -66.7 | 0 | 0 | 0 | 116.6 | S183 T184 R185 | D181-S183 PolarHBondContact O-N 3.44Å; D181-T184 PolarHBondContact O-N 2.81Å; D181-R185 PolarHBondContact O-N 3.43Å | ||
| 182 | P | 55.9 | Low | 53.6 | Low | 91 Ų | 91 | 84 Ų | 84 | 59% | 0.591 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -69.9 | -31.7 | -171.9 | 24.9 | -32.1 | 0 | 0 | 0 | 114.9 | T184 R185 | P182-T184 VanDerWaalsContact C-N 3.27Å; P182-T184 PolarHBondContact O-N 2.83Å; P182-R185 WeakPolarHBondContact O-CB 3.2Å; P182-R185 PolarHBondContact O-N 3.42Å |
| 183 | S | 53.8 | Low | 53.9 | Low | 92 Ų | 92 | 87.2 Ų | 87.2 | 64% | 0.643 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.3 | -32.9 | 175.9 | -34.1 | 0 | 0 | 0 | 0 | 111.6 | D181 A186 L187 | D181-S183 PolarHBondContact O-N 3.44Å; S183-A186 PolarHBondContact O-N 3.23Å; S183-L187 PolarHBondContact O-N 2.9Å |
| 184 | T | 52.1 | Low | 54.1 | Low | 51 Ų | 51 | 88.7 Ų | 88.7 | 31% | 0.313 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -78.5 | -24.7 | -178.5 | -35.5 | 0 | 0 | 0 | 0 | 111.6 | V179 D181 P182 A186 L187 L188 | V179-T184 HydrophobicContact CG1-CG2 4.04Å; D181-T184 PolarHBondContact O-N 2.81Å; P182-T184 VanDerWaalsContact C-N 3.27Å; P182-T184 PolarHBondContact O-N 2.83Å; T184-A186 VanDerWaalsContact C-N 3.33Å; T184-L187 PolarHBondContact O-N 3.32Å; T184-L188 WeakPolarHBondContact O-CB 3.39Å; T184-L188 PolarHBondContact O-N 2.87Å |
| 185 | R | 53.8 | Low | 54.2 | Low | 157 Ų | 157 | 89.9 Ų | 89.9 | 59% | 0.592 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63 | -37.9 | 168.9 | -68.5 | 180 | 178.4 | 174.8 | 0.3 | 112.3 | D181 P182 L188 L189 | D181-R185 PolarHBondContact O-N 3.43Å; P182-R185 WeakPolarHBondContact O-CB 3.2Å; P182-R185 PolarHBondContact O-N 3.42Å; R185-L188 WeakPolarHBondContact O-CB 3.36Å; R185-L188 PolarHBondContact O-N 2.89Å; R185-L189 WeakPolarHBondContact O-CG 3.41Å; R185-L189 PolarHBondContact O-N 3.43Å |
| 186 | A | 55.1 | Low | 54.3 | Low | 62 Ų | 62 | 92.2 Ų | 92.2 | 51% | 0.512 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.9 | -40.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S183 T184 L188 L189 L190 | S183-A186 PolarHBondContact O-N 3.23Å; T184-A186 VanDerWaalsContact C-N 3.33Å; A186-L188 VanDerWaalsContact C-N 3.34Å; A186-L189 PolarHBondContact O-N 2.94Å; A186-L190 WeakPolarHBondContact O-CB 3.45Å; A186-L190 PolarHBondContact O-N 3.01Å |
| 187 | L | 54.3 | Low | 54.7 | Low | 112 Ų | 112 | 92 Ų | 92 | 59% | 0.586 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66 | -34.7 | 171.9 | -86.2 | 165.7 | 0 | 0 | 0 | 112.6 | S183 T184 L190 A191 | S183-L187 PolarHBondContact O-N 2.9Å; T184-L187 PolarHBondContact O-N 3.32Å; L187-L190 HydrophobicContact CD2-CD2 4.46Å; L187-L190 PolarHBondContact O-N 2.79Å; L187-A191 WeakPolarHBondContact O-CB 3.37Å; L187-A191 PolarHBondContact O-N 2.87Å |
| 188 | L | 54.8 | Low | 54.7 | Low | 17 Ų | 17 | 87.4 Ų | 87.4 | 9% | 0.089 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -66.5 | -41.6 | 173.5 | -98.7 | 156.6 | 0 | 0 | 0 | 111.9 | F172 L175 V176 T184 R185 A186 L192 | F172-L188 HydrophobicContact CD2-CD2 4.23Å; F172-L188 HydrophobicContact CE2-CD2 4.13Å; L175-L188 HydrophobicContact CB-CD2 4.11Å; L175-L188 HydrophobicContact CD2-CD2 3.7Å; L175-L188 HydrophobicContact CG-CD2 3.88Å; V176-L188 HydrophobicContact CG2-CD1 4.05Å; V176-L188 HydrophobicContact CG2-CD2 3.9Å; V176-L188 HydrophobicContact CG2-CG 4.48Å; T184-L188 WeakPolarHBondContact O-CB 3.39Å; T184-L188 PolarHBondContact O-N 2.87Å; R185-L188 WeakPolarHBondContact O-CB 3.36Å; R185-L188 PolarHBondContact O-N 2.89Å; A186-L188 VanDerWaalsContact C-N 3.34Å; L188-L192 WeakPolarHBondContact O-CB 3.09Å; L188-L192 PolarHBondContact O-N 3.38Å |
| 189 | L | 57.4 | Low | 54.7 | Low | 112 Ų | 112 | 85.3 Ų | 85.3 | 59% | 0.586 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.2 | -38.7 | 173 | -73.7 | 169.8 | 0 | 0 | 0 | 111.6 | R185 A186 L192 L193 | R185-L189 WeakPolarHBondContact O-CG 3.41Å; R185-L189 PolarHBondContact O-N 3.43Å; A186-L189 PolarHBondContact O-N 2.94Å; L189-L192 PolarHBondContact O-N 3.18Å; L189-L193 VanDerWaalsContact O-CB 3.3Å; L189-L193 WeakPolarHBondContact O-CB 3.3Å; L189-L193 PolarHBondContact O-N 3.5Å |
| 190 | L | 56.7 | Low | 54.9 | Low | 92 Ų | 92 | 85.3 Ų | 85.3 | 48% | 0.482 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.7 | -44.4 | 175.6 | -164.3 | 83.9 | 0 | 0 | 0 | 111.5 | A186 L187 L192 L193 I194 | A186-L190 WeakPolarHBondContact O-CB 3.45Å; A186-L190 PolarHBondContact O-N 3.01Å; L187-L190 HydrophobicContact CD2-CD2 4.46Å; L187-L190 PolarHBondContact O-N 2.79Å; L190-L192 VanDerWaalsContact C-N 3.32Å; L190-L192 PolarHBondContact O-N 3.22Å; L190-L193 WeakPolarHBondContact O-CB 3.34Å; L190-L193 PolarHBondContact O-N 3.49Å; L190-I194 HydrophobicContact CD2-CD1 4.21Å; L190-I194 HydrophobicContact CG-CD1 4.02Å; L190-I194 WeakPolarHBondContact O-CB 3.48Å; L190-I194 WeakPolarHBondContact O-CD1 3.28Å; L190-I194 WeakPolarHBondContact O-CG1 3.18Å; L190-I194 PolarHBondContact O-N 3.3Å |
| 191 | A | 58 | Low | 54.7 | Low | 51 Ų | 51 | 89.3 Ų | 89.3 | 42% | 0.421 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.8 | -38.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L187 I194 L195 | L187-A191 WeakPolarHBondContact O-CB 3.37Å; L187-A191 PolarHBondContact O-N 2.87Å; A191-I194 PolarHBondContact O-N 2.92Å; A191-L195 WeakPolarHBondContact O-CB 3.23Å; A191-L195 PolarHBondContact O-N 2.92Å |
| 192 | L | 57.5 | Low | 54.2 | Low | 48 Ų | 48 | 90.5 Ų | 90.5 | 25% | 0.251 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 173 | -170.4 | 69.7 | 0 | 0 | 0 | 111.4 | F168 F172 L188 L189 L190 L195 Y196 | F168-L192 HydrophobicContact CD1-CD1 4.47Å; F168-L192 HydrophobicContact CE1-CD1 3.35Å; F168-L192 HydrophobicContact CZ-CD1 3.56Å; F172-L192 HydrophobicContact CB-CD1 4.27Å; F172-L192 HydrophobicContact CD2-CB 4.35Å; F172-L192 HydrophobicContact CD2-CD1 3.48Å; F172-L192 VanDerWaalsContact CD2-CD1 3.48Å; F172-L192 HydrophobicContact CD2-CD2 4.16Å; F172-L192 HydrophobicContact CD2-CG 4.21Å; F172-L192 HydrophobicContact CE1-CD2 4.3Å; F172-L192 HydrophobicContact CE2-CB 4.06Å; F172-L192 HydrophobicContact CE2-CD1 3.85Å; F172-L192 HydrophobicContact CE2-CD2 3.65Å; F172-L192 HydrophobicContact CE2-CG 4.07Å; F172-L192 HydrophobicContact CG-CD1 3.85Å; F172-L192 HydrophobicContact CZ-CD2 3.72Å; L188-L192 WeakPolarHBondContact O-CB 3.09Å; L188-L192 PolarHBondContact O-N 3.38Å; L189-L192 PolarHBondContact O-N 3.18Å; L190-L192 VanDerWaalsContact C-N 3.32Å; L190-L192 PolarHBondContact O-N 3.22Å; L192-L195 PolarHBondContact O-N 3.41Å; L192-Y196 WeakPolarHBondContact O-CB 3.42Å; L192-Y196 PolarHBondContact O-N 3.21Å |
| 193 | L | 60 | Low | 53.5 | Low | 117 Ų | 117 | 89.3 Ų | 89.3 | 61% | 0.613 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.4 | -43.2 | 176.1 | -164.9 | 97.3 | 0 | 0 | 0 | 111.2 | L189 L190 A197 | L189-L193 VanDerWaalsContact O-CB 3.3Å; L189-L193 WeakPolarHBondContact O-CB 3.3Å; L189-L193 PolarHBondContact O-N 3.5Å; L190-L193 WeakPolarHBondContact O-CB 3.34Å; L190-L193 PolarHBondContact O-N 3.49Å; L193-A197 WeakPolarHBondContact O-CB 3.37Å; L193-A197 PolarHBondContact O-N 2.9Å |
| 194 | I | 58.5 | Low | 52.9 | Low | 95 Ų | 95 | 85.7 Ų | 85.7 | 49% | 0.487 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 177.4 | -69.9 | 162.9 | 0 | 0 | 0 | 110.1 | L190 A191 A197 L198 | L190-I194 HydrophobicContact CD2-CD1 4.21Å; L190-I194 HydrophobicContact CG-CD1 4.02Å; L190-I194 WeakPolarHBondContact O-CB 3.48Å; L190-I194 WeakPolarHBondContact O-CD1 3.28Å; L190-I194 WeakPolarHBondContact O-CG1 3.18Å; L190-I194 PolarHBondContact O-N 3.3Å; A191-I194 PolarHBondContact O-N 2.92Å; I194-A197 CarbonylContact O-C 3.57Å; I194-A197 PolarHBondContact O-N 3.38Å; I194-L198 VanDerWaalsContact O-CB 3.32Å; I194-L198 WeakPolarHBondContact O-CB 3.39Å; I194-L198 PolarHBondContact O-N 3.45Å |
| 195 | L | 55 | Low | 52.5 | Low | 82 Ų | 82 | 87.4 Ų | 87.4 | 43% | 0.429 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -71.6 | -35.9 | 179.6 | -156.4 | 66.8 | 0 | 0 | 0 | 111 | F168 A191 L192 L198 L199 | F168-L195 HydrophobicContact CD2-CD2 3.59Å; F168-L195 HydrophobicContact CD2-CG 4.03Å; F168-L195 HydrophobicContact CE2-CB 3.68Å; F168-L195 HydrophobicContact CE2-CD2 3.19Å; F168-L195 HydrophobicContact CE2-CG 3.33Å; F168-L195 HydrophobicContact CZ-CB 4.07Å; F168-L195 HydrophobicContact CZ-CD2 3.99Å; F168-L195 HydrophobicContact CZ-CG 4.19Å; A191-L195 WeakPolarHBondContact O-CB 3.23Å; A191-L195 PolarHBondContact O-N 2.92Å; L192-L195 PolarHBondContact O-N 3.41Å; L195-L198 PolarHBondContact O-N 2.77Å; L195-L199 HydrophobicContact CG-CD1 4.27Å; L195-L199 VanDerWaalsContact O-CB 3.32Å; L195-L199 WeakPolarHBondContact O-CB 3.22Å; L195-L199 WeakPolarHBondContact O-CD1 3.03Å; L195-L199 PolarHBondContact O-N 2.96Å |
| 196 | Y | 56.1 | Low | 51.9 | Low | 155 Ų | 155 | 91 Ų | 91 | 61% | 0.608 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.6 | -40.8 | 169.3 | 179.6 | -97 | 0 | 0 | 0 | 111.8 | L192 S200 | L192-Y196 WeakPolarHBondContact O-CB 3.42Å; L192-Y196 PolarHBondContact O-N 3.21Å; Y196-S200 WeakPolarHBondContact O-CB 3.43Å; Y196-S200 PolarHBondContact O-N 3.01Å; Y196-S200 PolarHBondContact O-OG 3.43Å |
| 197 | A | 58.4 | Low | 51.5 | Low | 53 Ų | 53 | 91.7 Ų | 91.7 | 44% | 0.438 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L193 I194 S200 R201 | L193-A197 WeakPolarHBondContact O-CB 3.37Å; L193-A197 PolarHBondContact O-N 2.9Å; I194-A197 CarbonylContact O-C 3.57Å; I194-A197 PolarHBondContact O-N 3.38Å; A197-S200 PolarHBondContact O-N 2.97Å; A197-R201 WeakPolarHBondContact O-CB 3.36Å; A197-R201 PolarHBondContact O-N 3.33Å |
| 198 | L | 52.7 | Low | 51.2 | Low | 91 Ų | 91 | 89.2 Ų | 89.2 | 48% | 0.476 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70 | -40.4 | 178.1 | -139.3 | 71.8 | 0 | 0 | 0 | 111.7 | I194 L195 R201 L202 | I194-L198 VanDerWaalsContact O-CB 3.32Å; I194-L198 WeakPolarHBondContact O-CB 3.39Å; I194-L198 PolarHBondContact O-N 3.45Å; L195-L198 PolarHBondContact O-N 2.77Å; L198-R201 PolarHBondContact O-N 2.89Å; L198-L202 WeakPolarHBondContact O-CB 3.32Å; L198-L202 PolarHBondContact O-N 3.41Å |
| 199 | L | 50 | Low | 50.9 | Low | 45 Ų | 45 | 89.8 Ų | 89.8 | 24% | 0.236 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 172.2 | -99.5 | 68.2 | 0 | 0 | 0 | 111.4 | F168 L195 R201 L202 T203 | F168-L199 HydrophobicContact CD2-CD1 4.36Å; F168-L199 HydrophobicContact CD2-CD2 3.78Å; F168-L199 HydrophobicContact CE2-CD1 4.3Å; F168-L199 HydrophobicContact CE2-CD2 4.02Å; F168-L199 HydrophobicContact CG-CD2 4.44Å; L195-L199 HydrophobicContact CG-CD1 4.27Å; L195-L199 VanDerWaalsContact O-CB 3.32Å; L195-L199 WeakPolarHBondContact O-CB 3.22Å; L195-L199 WeakPolarHBondContact O-CD1 3.03Å; L195-L199 PolarHBondContact O-N 2.96Å; L199-R201 PolarHBondContact O-N 3.27Å; L199-L202 PolarHBondContact O-N 2.9Å; L199-T203 VanDerWaalsContact O-CB 3.28Å; L199-T203 WeakPolarHBondContact O-CB 3.27Å; L199-T203 PolarHBondContact O-N 3.39Å; L199-T203 PolarHBondContact O-OG1 3.24Å |
| 200 | S | 49.3 | Very low | 50.8 | Low | 53 Ų | 53 | 87.4 Ų | 87.4 | 37% | 0.371 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.4 | -30.5 | 173.7 | -68.5 | 0 | 0 | 0 | 0 | 111.7 | Y196 A197 G204 | Y196-S200 WeakPolarHBondContact O-CB 3.43Å; Y196-S200 PolarHBondContact O-N 3.01Å; Y196-S200 PolarHBondContact O-OG 3.43Å; A197-S200 PolarHBondContact O-N 2.97Å; S200-G204 WeakPolarHBondContact O-CA 3.23Å; S200-G204 PolarHBondContact O-N 2.88Å |
| 201 | R | 48.8 | Very low | 50.6 | Low | 199 Ų | 199 | 89 Ų | 89 | 75% | 0.751 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -75.2 | -40.3 | 175 | -162.4 | 175.9 | -137.1 | -152.7 | 2.5 | 111.8 | A197 L198 L199 S205 | A197-R201 WeakPolarHBondContact O-CB 3.36Å; A197-R201 PolarHBondContact O-N 3.33Å; L198-R201 PolarHBondContact O-N 2.89Å; L199-R201 PolarHBondContact O-N 3.27Å; R201-S205 PolarHBondContact O-N 2.88Å |
| 202 | L | 39.8 | Very low | 50.4 | Low | 125 Ų | 125 | 92 Ų | 92 | 65% | 0.654 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -71.7 | -35.8 | 176.3 | -104 | 73.2 | 0 | 0 | 0 | 112.8 | L198 L199 | L198-L202 WeakPolarHBondContact O-CB 3.32Å; L198-L202 PolarHBondContact O-N 3.41Å; L199-L202 PolarHBondContact O-N 2.9Å |
| 203 | T | 41.3 | Very low | 50.6 | Low | 66 Ų | 66 | 94.9 Ų | 94.9 | 41% | 0.405 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -90.6 | -31.5 | 179.4 | -63.1 | 0 | 0 | 0 | 0 | 112.5 | L199 S205 | L199-T203 VanDerWaalsContact O-CB 3.28Å; L199-T203 WeakPolarHBondContact O-CB 3.27Å; L199-T203 PolarHBondContact O-N 3.39Å; L199-T203 PolarHBondContact O-OG1 3.24Å; T203-S205 VanDerWaalsContact C-N 3.28Å; T203-S205 PolarHBondContact O-N 2.87Å |
| 204 | G | 41 | Very low | 51 | Low | 16 Ų | 16 | 92.2 Ų | 92.2 | 17% | 0.165 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -78.7 | -2.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S200 R206 S208 G209 | S200-G204 WeakPolarHBondContact O-CA 3.23Å; S200-G204 PolarHBondContact O-N 2.88Å; G204-R206 PolarHBondContact O-N 3.41Å; G204-S208 VanDerWaalsContact O-CA 3.25Å; G204-S208 WeakPolarHBondContact O-CA 3.39Å; G204-S208 WeakPolarHBondContact O-CB 3.36Å; G204-S208 PolarHBondContact O-N 3.42Å; G204-S208 PolarHBondContact O-OG 3.22Å; G204-G209 PolarHBondContact O-N 3.24Å |
| 205 | S | 43.3 | Very low | 51.7 | Low | 88 Ų | 88 | 94.1 Ų | 94.1 | 62% | 0.615 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.5 | -33.7 | 172.6 | 170 | 0 | 0 | 0 | 0 | 112.3 | R201 T203 | R201-S205 PolarHBondContact O-N 2.88Å; T203-S205 VanDerWaalsContact C-N 3.28Å; T203-S205 PolarHBondContact O-N 2.87Å |
| 206 | R | 43.1 | Very low | 52.4 | Low | 233 Ų | 233 | 93.5 Ų | 93.5 | 88% | 0.879 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -92 | -34.4 | -179.4 | -113.7 | 180 | -89.4 | -158.6 | -4.7 | 115.2 | G204 | G204-R206 PolarHBondContact O-N 3.41Å |
| 207 | A | 45.5 | Very low | 53.2 | Low | 76 Ų | 76 | 93.9 Ų | 93.9 | 63% | 0.628 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -98.3 | -35 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 208 | S | 47.9 | Very low | 54.2 | Low | 59 Ų | 59 | 92.9 Ų | 92.9 | 41% | 0.413 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -81.7 | -28.7 | 175.3 | 108.9 | 0 | 0 | 0 | 0 | 111.5 | G204 A210 Q211 L212 | G204-S208 VanDerWaalsContact O-CA 3.25Å; G204-S208 WeakPolarHBondContact O-CA 3.39Å; G204-S208 WeakPolarHBondContact O-CB 3.36Å; G204-S208 PolarHBondContact O-N 3.42Å; G204-S208 PolarHBondContact O-OG 3.22Å; S208-A210 PolarHBondContact O-N 2.87Å; S208-Q211 PolarHBondContact O-N 3.47Å; S208-L212 VanDerWaalsContact O-CB 3.22Å; S208-L212 WeakPolarHBondContact O-CB 3.44Å; S208-L212 PolarHBondContact O-N 2.93Å |
| 209 | G | 49.3 | Very low | 55.5 | Low | 30 Ų | 30 | 93.4 Ų | 93.4 | 31% | 0.309 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -54.8 | -49.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G204 Q211 L212 E213 | G204-G209 PolarHBondContact O-N 3.24Å; G209-Q211 PolarHBondContact O-N 3.01Å; G209-L212 PolarHBondContact O-N 3.38Å; G209-E213 WeakPolarHBondContact O-CB 3.16Å; G209-E213 PolarHBondContact O-N 2.79Å |
| 210 | A | 53.9 | Low | 56.9 | Low | 62 Ų | 62 | 96.9 Ų | 96.9 | 51% | 0.512 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.5 | -36.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S208 A214 | S208-A210 PolarHBondContact O-N 2.87Å; A210-A214 VanDerWaalsContact O-CB 3.25Å; A210-A214 WeakPolarHBondContact O-CB 3.37Å; A210-A214 PolarHBondContact O-N 3.39Å |
| 211 | Q | 53.6 | Low | 58.3 | Low | 126 Ų | 126 | 103 Ų | 103 | 59% | 0.589 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -74.1 | -35.9 | 177.2 | -169 | -170.8 | -49.6 | 0 | 0 | 112.1 | S208 G209 K215 | S208-Q211 PolarHBondContact O-N 3.47Å; G209-Q211 PolarHBondContact O-N 3.01Å; Q211-K215 WeakPolarHBondContact O-CB 3.2Å; Q211-K215 WeakPolarHBondContact O-CG 3.5Å; Q211-K215 PolarHBondContact O-N 3.35Å |
| 212 | L | 54.2 | Low | 59.8 | Low | 112 Ų | 112 | 99.2 Ų | 99.2 | 59% | 0.586 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -71.5 | -40.1 | 175.7 | -138.8 | 77.5 | 0 | 0 | 0 | 110.1 | S208 G209 K215 V216 | S208-L212 VanDerWaalsContact O-CB 3.22Å; S208-L212 WeakPolarHBondContact O-CB 3.44Å; S208-L212 PolarHBondContact O-N 2.93Å; G209-L212 PolarHBondContact O-N 3.38Å; L212-K215 CarbonylContact O-C 3.59Å; L212-K215 PolarHBondContact O-N 3.3Å; L212-V216 WeakPolarHBondContact O-CB 3.38Å; L212-V216 WeakPolarHBondContact O-CG2 3.3Å; L212-V216 PolarHBondContact O-N 2.89Å |
| 213 | E | 62.1 | Low | 61.8 | Low | 109 Ų | 109 | 96.5 Ų | 96.5 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 175.1 | -166.3 | -179.2 | 170.9 | 0 | 0 | 111.3 | G209 K215 V216 R217 | G209-E213 WeakPolarHBondContact O-CB 3.16Å; G209-E213 PolarHBondContact O-N 2.79Å; E213-K215 VanDerWaalsContact C-N 3.33Å; E213-K215 PolarHBondContact O-N 2.79Å; E213-V216 PolarHBondContact O-N 3.39Å; E213-R217 WeakPolarHBondContact O-CB 3.48Å; E213-R217 WeakPolarHBondContact O-CG 3.15Å; E213-R217 PolarHBondContact O-N 2.95Å; E213-R217 IonicContact OE1-NE 3.87Å; E213-R217 IonicContact OE1-NH2 3.8Å |
| 214 | A | 67.7 | Low | 63.8 | Low | 62 Ų | 62 | 98.5 Ų | 98.5 | 51% | 0.512 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -38.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A210 G218 | A210-A214 VanDerWaalsContact O-CB 3.25Å; A210-A214 WeakPolarHBondContact O-CB 3.37Å; A210-A214 PolarHBondContact O-N 3.39Å; A214-G218 PolarHBondContact O-N 2.88Å |
| 215 | K | 72.6 | Confident | 65.8 | Low | 134 Ų | 134 | 102.3 Ų | 102.3 | 58% | 0.583 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -71.6 | -36.6 | 174.2 | -80.8 | -167.6 | 171.7 | -165.8 | 0 | 112.9 | Q211 L212 E213 G218 L219 | Q211-K215 WeakPolarHBondContact O-CB 3.2Å; Q211-K215 WeakPolarHBondContact O-CG 3.5Å; Q211-K215 PolarHBondContact O-N 3.35Å; L212-K215 CarbonylContact O-C 3.59Å; L212-K215 PolarHBondContact O-N 3.3Å; E213-K215 VanDerWaalsContact C-N 3.33Å; E213-K215 PolarHBondContact O-N 2.79Å; K215-G218 PolarHBondContact O-N 3.25Å; K215-L219 WeakPolarHBondContact O-CB 3.08Å; K215-L219 WeakPolarHBondContact O-CG 3.28Å; K215-L219 PolarHBondContact O-N 3.37Å |
| 216 | V | 70.9 | Confident | 67.6 | Low | 69 Ų | 69 | 103.1 Ų | 103.1 | 42% | 0.418 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.2 | -47.3 | 175.6 | 168 | 0 | 0 | 0 | 0 | 109.6 | L212 E213 G218 L219 E220 | L212-V216 WeakPolarHBondContact O-CB 3.38Å; L212-V216 WeakPolarHBondContact O-CG2 3.3Å; L212-V216 PolarHBondContact O-N 2.89Å; E213-V216 PolarHBondContact O-N 3.39Å; V216-G218 VanDerWaalsContact C-N 3.26Å; V216-G218 PolarHBondContact O-N 2.89Å; V216-L219 PolarHBondContact O-N 2.87Å; V216-L219 VanDerWaalsContact O-N 3.16Å; V216-E220 HydrophobicContact CG1-CG 4.38Å; V216-E220 WeakPolarHBondContact O-CB 3.4Å; V216-E220 WeakPolarHBondContact O-CG 3.36Å; V216-E220 PolarHBondContact O-N 3.49Å |
| 217 | R | 71.4 | Confident | 69.3 | Low | 164 Ų | 164 | 98.6 Ų | 98.6 | 62% | 0.619 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.8 | -36.4 | 172.2 | -75.4 | -179 | 179.1 | -130.2 | 2.6 | 112.5 | E213 R221 | E213-R217 WeakPolarHBondContact O-CB 3.48Å; E213-R217 WeakPolarHBondContact O-CG 3.15Å; E213-R217 PolarHBondContact O-N 2.95Å; E213-R217 IonicContact OE1-NE 3.87Å; E213-R217 IonicContact OE1-NH2 3.8Å; R217-R221 VanDerWaalsContact O-CB 3.3Å; R217-R221 WeakPolarHBondContact O-CB 3.23Å; R217-R221 PolarHBondContact O-N 2.76Å |
| 218 | G | 79.9 | Confident | 71.1 | Confident | 32 Ų | 32 | 102.9 Ų | 102.9 | 33% | 0.33 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A214 K215 V216 R221 Q222 | A214-G218 PolarHBondContact O-N 2.88Å; K215-G218 PolarHBondContact O-N 3.25Å; V216-G218 VanDerWaalsContact C-N 3.26Å; V216-G218 PolarHBondContact O-N 2.89Å; G218-R221 PolarHBondContact O-N 3.39Å; G218-Q222 WeakPolarHBondContact O-CG 3.36Å; G218-Q222 PolarHBondContact O-N 3.27Å |
| 219 | L | 80.7 | Confident | 72.6 | Confident | 101 Ų | 101 | 108.3 Ų | 108.3 | 53% | 0.529 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.5 | -41 | 177.1 | -76.6 | 166.6 | 0 | 0 | 0 | 112.1 | K215 V216 R221 Q222 V223 | K215-L219 WeakPolarHBondContact O-CB 3.08Å; K215-L219 WeakPolarHBondContact O-CG 3.28Å; K215-L219 PolarHBondContact O-N 3.37Å; V216-L219 PolarHBondContact O-N 2.87Å; V216-L219 VanDerWaalsContact O-N 3.16Å; L219-R221 VanDerWaalsContact C-N 3.3Å; L219-R221 PolarHBondContact O-N 3.38Å; L219-Q222 PolarHBondContact O-N 3.48Å; L219-V223 WeakPolarHBondContact O-CB 3.21Å; L219-V223 VanDerWaalsContact O-CG2 3.29Å; L219-V223 WeakPolarHBondContact O-CG2 3.32Å; L219-V223 PolarHBondContact O-N 2.92Å |
| 220 | E | 78.6 | Confident | 73.9 | Confident | 119 Ų | 119 | 113.3 Ų | 113.3 | 56% | 0.556 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58 | -45.1 | 172.7 | -77.9 | 179 | 163.4 | 0 | 0 | 110.6 | V216 Q222 V223 E224 | V216-E220 HydrophobicContact CG1-CG 4.38Å; V216-E220 WeakPolarHBondContact O-CB 3.4Å; V216-E220 WeakPolarHBondContact O-CG 3.36Å; V216-E220 PolarHBondContact O-N 3.49Å; E220-Q222 PolarHBondContact O-N 3.33Å; E220-V223 PolarHBondContact O-N 3.48Å; E220-E224 WeakPolarHBondContact O-CB 3.44Å; E220-E224 PolarHBondContact O-N 2.85Å |
| 221 | R | 79.9 | Confident | 74.9 | Confident | 182 Ų | 182 | 116.8 Ų | 116.8 | 69% | 0.687 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.7 | -39 | 177.2 | -162.7 | 166.5 | -177.8 | 125.2 | -3.1 | 112.4 | R217 G218 L219 E224 E225 | R217-R221 VanDerWaalsContact O-CB 3.3Å; R217-R221 WeakPolarHBondContact O-CB 3.23Å; R217-R221 PolarHBondContact O-N 2.76Å; G218-R221 PolarHBondContact O-N 3.39Å; L219-R221 VanDerWaalsContact C-N 3.3Å; L219-R221 PolarHBondContact O-N 3.38Å; R221-E224 PolarHBondContact O-N 3.4Å; R221-E225 WeakPolarHBondContact O-CB 3.45Å; R221-E225 WeakPolarHBondContact O-CG 3.47Å; R221-E225 PolarHBondContact O-N 2.84Å |
| 222 | Q | 79.1 | Confident | 75.9 | Confident | 119 Ų | 119 | 119.2 Ų | 119.2 | 56% | 0.556 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.6 | -37 | 174 | -78.6 | -173.5 | -32.7 | 0 | 0 | 113 | G218 L219 E220 E225 L226 | G218-Q222 WeakPolarHBondContact O-CG 3.36Å; G218-Q222 PolarHBondContact O-N 3.27Å; L219-Q222 PolarHBondContact O-N 3.48Å; E220-Q222 PolarHBondContact O-N 3.33Å; Q222-E225 PolarHBondContact O-N 2.87Å; Q222-L226 WeakPolarHBondContact O-CB 3.35Å; Q222-L226 WeakPolarHBondContact O-CG 3.27Å; Q222-L226 PolarHBondContact O-N 3.38Å |
| 223 | V | 81.3 | Confident | 76.8 | Confident | 67 Ų | 67 | 117.1 Ų | 117.1 | 41% | 0.406 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.3 | -40.2 | 175.5 | 168.6 | 0 | 0 | 0 | 0 | 110.6 | L219 E220 E225 L226 R227 | L219-V223 WeakPolarHBondContact O-CB 3.21Å; L219-V223 VanDerWaalsContact O-CG2 3.29Å; L219-V223 WeakPolarHBondContact O-CG2 3.32Å; L219-V223 PolarHBondContact O-N 2.92Å; E220-V223 PolarHBondContact O-N 3.48Å; V223-E225 VanDerWaalsContact C-N 3.33Å; V223-L226 PolarHBondContact O-N 3.4Å; V223-R227 HydrophobicContact CG1-CG 4.4Å; V223-R227 VanDerWaalsContact O-CB 3.31Å; V223-R227 WeakPolarHBondContact O-CB 3.29Å; V223-R227 VanDerWaalsContact O-CG 3.31Å; V223-R227 WeakPolarHBondContact O-CG 3.06Å; V223-R227 PolarHBondContact O-N 3.28Å |
| 224 | E | 84.6 | Confident | 77.2 | Confident | 109 Ų | 109 | 115 Ų | 115 | 51% | 0.509 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 174.4 | -157.3 | 72.3 | -125.2 | 0 | 0 | 110.5 | E220 R221 R227 W228 R231 | E220-E224 WeakPolarHBondContact O-CB 3.44Å; E220-E224 PolarHBondContact O-N 2.85Å; R221-E224 PolarHBondContact O-N 3.4Å; E224-R227 PolarHBondContact O-N 3.44Å; E224-W228 WeakPolarHBondContact O-CB 3.26Å; E224-W228 PolarHBondContact O-N 2.82Å; E224-R231 IonicContact OE1-NH2 3.93Å |
| 225 | E | 81.6 | Confident | 77.2 | Confident | 95 Ų | 95 | 119.9 Ų | 119.9 | 44% | 0.444 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.2 | -40.6 | 176 | -77.1 | 177.8 | -163.2 | 0 | 0 | 112.7 | R221 Q222 V223 W228 R229 | R221-E225 WeakPolarHBondContact O-CB 3.45Å; R221-E225 WeakPolarHBondContact O-CG 3.47Å; R221-E225 PolarHBondContact O-N 2.84Å; Q222-E225 PolarHBondContact O-N 2.87Å; V223-E225 VanDerWaalsContact C-N 3.33Å; E225-W228 PolarHBondContact O-N 3.49Å; E225-R229 WeakPolarHBondContact O-CB 3.3Å; E225-R229 VanDerWaalsContact O-CG 3.27Å; E225-R229 WeakPolarHBondContact O-CG 3.28Å; E225-R229 PolarHBondContact O-N 2.87Å |
| 226 | L | 81.9 | Confident | 76.8 | Confident | 106 Ų | 106 | 115 Ų | 115 | 56% | 0.555 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.3 | -44.3 | 174.9 | -84.3 | 163.1 | 0 | 0 | 0 | 111.6 | Q222 V223 W228 R229 Q230 | Q222-L226 WeakPolarHBondContact O-CB 3.35Å; Q222-L226 WeakPolarHBondContact O-CG 3.27Å; Q222-L226 PolarHBondContact O-N 3.38Å; V223-L226 PolarHBondContact O-N 3.4Å; L226-W228 VanDerWaalsContact C-N 3.32Å; L226-W228 PolarHBondContact O-N 3.47Å; L226-R229 PolarHBondContact O-N 3.47Å; L226-Q230 WeakPolarHBondContact O-CB 3.3Å; L226-Q230 WeakPolarHBondContact O-CG 3.31Å; L226-Q230 PolarHBondContact O-N 2.89Å |
| 227 | R | 79.6 | Confident | 76.3 | Confident | 137 Ų | 137 | 114.6 Ų | 114.6 | 52% | 0.517 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64 | -38.4 | 174.8 | -77.1 | 177.8 | 170.5 | 176.8 | -2 | 111.7 | V223 E224 Q230 R231 | V223-R227 HydrophobicContact CG1-CG 4.4Å; V223-R227 VanDerWaalsContact O-CB 3.31Å; V223-R227 WeakPolarHBondContact O-CB 3.29Å; V223-R227 VanDerWaalsContact O-CG 3.31Å; V223-R227 WeakPolarHBondContact O-CG 3.06Å; V223-R227 PolarHBondContact O-N 3.28Å; E224-R227 PolarHBondContact O-N 3.44Å; R227-Q230 PolarHBondContact O-N 2.81Å; R227-R231 WeakPolarHBondContact O-CB 3.28Å; R227-R231 WeakPolarHBondContact O-CG 3.32Å; R227-R231 PolarHBondContact O-N 2.84Å |
| 228 | W | 83.4 | Confident | 75.7 | Confident | 166 Ų | 166 | 115.1 Ų | 115.1 | 63% | 0.629 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.1 | -44.6 | 175.3 | -179.2 | -104.6 | 0 | 0 | 0 | 111.7 | E224 E225 L226 R231 R232 | E224-W228 WeakPolarHBondContact O-CB 3.26Å; E224-W228 PolarHBondContact O-N 2.82Å; E225-W228 PolarHBondContact O-N 3.49Å; L226-W228 VanDerWaalsContact C-N 3.32Å; L226-W228 PolarHBondContact O-N 3.47Å; W228-R231 PolarHBondContact O-N 2.87Å; W228-R232 VanDerWaalsContact O-CG 3.29Å; W228-R232 WeakPolarHBondContact O-CG 3.37Å; W228-R232 PolarHBondContact O-N 3.47Å |
| 229 | R | 78.2 | Confident | 74.6 | Confident | 173 Ų | 173 | 117 Ų | 117 | 65% | 0.653 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.2 | -42.1 | 175.4 | -72.8 | 177.7 | -171.8 | -153.4 | 4.4 | 112.1 | E225 L226 R232 A233 | E225-R229 WeakPolarHBondContact O-CB 3.3Å; E225-R229 VanDerWaalsContact O-CG 3.27Å; E225-R229 WeakPolarHBondContact O-CG 3.28Å; E225-R229 PolarHBondContact O-N 2.87Å; L226-R229 PolarHBondContact O-N 3.47Å; R229-R232 PolarHBondContact O-N 3.4Å; R229-A233 WeakPolarHBondContact O-CB 3.48Å; R229-A233 PolarHBondContact O-N 2.78Å |
| 230 | Q | 76.3 | Confident | 73.5 | Confident | 136 Ų | 136 | 117.3 Ų | 117.3 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.3 | -42.7 | 174.5 | -78.4 | -176.2 | -11.8 | 0 | 0 | 112.1 | L226 R227 R232 A233 A234 | L226-Q230 WeakPolarHBondContact O-CB 3.3Å; L226-Q230 WeakPolarHBondContact O-CG 3.31Å; L226-Q230 PolarHBondContact O-N 2.89Å; R227-Q230 PolarHBondContact O-N 2.81Å; Q230-R232 VanDerWaalsContact C-N 3.32Å; Q230-R232 PolarHBondContact O-N 2.8Å; Q230-A233 PolarHBondContact O-N 2.82Å; Q230-A234 VanDerWaalsContact O-CB 3.32Å; Q230-A234 WeakPolarHBondContact O-CB 3.22Å; Q230-A234 PolarHBondContact O-N 2.95Å |
| 231 | R | 75.1 | Confident | 72.5 | Confident | 135 Ų | 135 | 119.7 Ų | 119.7 | 51% | 0.509 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63 | -37.4 | 175.2 | -79.7 | -172.6 | -99.9 | -115.8 | 8.9 | 112.5 | E224 R227 W228 K235 | E224-R231 IonicContact OE1-NH2 3.93Å; R227-R231 WeakPolarHBondContact O-CB 3.28Å; R227-R231 WeakPolarHBondContact O-CG 3.32Å; R227-R231 PolarHBondContact O-N 2.84Å; W228-R231 PolarHBondContact O-N 2.87Å; R231-K235 WeakPolarHBondContact O-CB 3.42Å; R231-K235 WeakPolarHBondContact O-CG 3.31Å; R231-K235 PolarHBondContact O-N 3.22Å |
| 232 | R | 74.2 | Confident | 71.3 | Confident | 177 Ų | 177 | 118.6 Ų | 118.6 | 67% | 0.668 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.2 | -41.2 | 175.6 | -71.7 | -108.1 | -76.2 | 172.5 | -3.7 | 112 | W228 R229 Q230 K235 G236 | W228-R232 VanDerWaalsContact O-CG 3.29Å; W228-R232 WeakPolarHBondContact O-CG 3.37Å; W228-R232 PolarHBondContact O-N 3.47Å; R229-R232 PolarHBondContact O-N 3.4Å; Q230-R232 VanDerWaalsContact C-N 3.32Å; Q230-R232 PolarHBondContact O-N 2.8Å; R232-K235 PolarHBondContact O-N 3.5Å; R232-G236 PolarHBondContact O-N 3.34Å |
| 233 | A | 73.5 | Confident | 69.7 | Low | 68 Ų | 68 | 124.3 Ų | 124.3 | 56% | 0.562 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.9 | -42.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R229 Q230 G236 A237 | R229-A233 WeakPolarHBondContact O-CB 3.48Å; R229-A233 PolarHBondContact O-N 2.78Å; Q230-A233 PolarHBondContact O-N 2.82Å; A233-G236 PolarHBondContact O-N 3.49Å; A233-A237 WeakPolarHBondContact O-CB 3.23Å; A233-A237 PolarHBondContact O-N 3.3Å |
| 234 | A | 71.5 | Confident | 69.1 | Low | 64 Ų | 64 | 127.2 Ų | 127.2 | 53% | 0.529 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.5 | -36.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q230 R238 | Q230-A234 VanDerWaalsContact O-CB 3.32Å; Q230-A234 WeakPolarHBondContact O-CB 3.22Å; Q230-A234 PolarHBondContact O-N 2.95Å; A234-R238 PolarHBondContact O-N 3.41Å |
| 235 | K | 66.9 | Low | 68.3 | Low | 164 Ų | 164 | 128.1 Ų | 128.1 | 71% | 0.713 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.3 | -37.6 | 173.2 | -77.6 | -175.6 | 176.8 | -168.8 | 0 | 112.7 | R231 R232 R238 S239 | R231-K235 WeakPolarHBondContact O-CB 3.42Å; R231-K235 WeakPolarHBondContact O-CG 3.31Å; R231-K235 PolarHBondContact O-N 3.22Å; R232-K235 PolarHBondContact O-N 3.5Å; K235-R238 PolarHBondContact O-N 3.5Å; K235-S239 PolarHBondContact O-N 3.45Å; K235-S239 PolarHBondContact O-OG 3.34Å |
| 236 | G | 65.3 | Low | 67.6 | Low | 33 Ų | 33 | 129.9 Ų | 129.9 | 34% | 0.34 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -69.9 | -33 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R232 A233 S239 V240 | R232-G236 PolarHBondContact O-N 3.34Å; A233-G236 PolarHBondContact O-N 3.49Å; G236-S239 PolarHBondContact O-OG 3.05Å; G236-V240 WeakPolarHBondContact O-CG2 3.16Å |
| 237 | A | 59.7 | Low | 66.8 | Low | 59 Ų | 59 | 131.4 Ų | 131.4 | 49% | 0.488 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.3 | -39.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A233 S239 V240 | A233-A237 WeakPolarHBondContact O-CB 3.23Å; A233-A237 PolarHBondContact O-N 3.3Å; A237-S239 PolarHBondContact O-N 2.9Å; A237-V240 PolarHBondContact O-N 2.86Å |
| 238 | R | 58.2 | Low | 66 | Low | 176 Ų | 176 | 131 Ų | 131 | 66% | 0.664 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.8 | -28.7 | 180 | -164.9 | 173.1 | -178 | 157.5 | 2.4 | 113.8 | A234 K235 V240 | A234-R238 PolarHBondContact O-N 3.41Å; K235-R238 PolarHBondContact O-N 3.5Å; R238-V240 VanDerWaalsContact C-N 3.29Å |
| 239 | S | 56.8 | Low | 64.8 | Low | 72 Ų | 72 | 128.7 Ų | 128.7 | 50% | 0.503 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78 | -11 | 175.6 | 56.7 | 0 | 0 | 0 | 0 | 114.1 | K235 G236 A237 | K235-S239 PolarHBondContact O-N 3.45Å; K235-S239 PolarHBondContact O-OG 3.34Å; G236-S239 PolarHBondContact O-OG 3.05Å; A237-S239 PolarHBondContact O-N 2.9Å |
| 240 | V | 58 | Low | 63.8 | Low | 107 Ų | 107 | 125.5 Ų | 125.5 | 65% | 0.648 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -16.1 | 176.9 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | G236 A237 R238 | G236-V240 WeakPolarHBondContact O-CG2 3.16Å; A237-V240 PolarHBondContact O-N 2.86Å; R238-V240 VanDerWaalsContact C-N 3.29Å |
| 241 | E | 56.8 | Low | 62.9 | Low | 169 Ų | 169 | 124.7 Ų | 124.7 | 79% | 0.79 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -90.4 | -7.9 | 175.8 | -67.5 | -178.5 | 157.5 | 0 | 0 | 113.3 | ||
| 242 | E | 55 | Low | 61.9 | Low | 159 Ų | 159 | 123.8 Ų | 123.8 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | trans | -106.9 | 9.7 | -179.5 | -69.3 | -178.2 | 178.7 | 0 | 0 | 113.5 | ||||
| 243 | E | 46.3 | Very low | 60.7 | Low | 238 Ų | 238 | 119 Ų | 119 | 100% | 1.112 | 65% | 0.645 | S | S | * | * | trans | -107.7 | 0 | 171.4 | -122.3 | -174.7 | 147.7 | 0 | 0 | 111.1 |
Retrieved 243 of 243 residues in 115.3 ms
(Link to these results)