| 1 | M | 40.8 | Very low | 58.9 | Low | 242 Ų | 242 | 119 Ų | 119 | 100% | 1.192 | 71% | 0.707 | S | S | * | * | | | | 0 | 82.9 | 0 | -59.6 | -53.8 | -175.6 | 0 | 0 | 108.5 | | |
| 2 | G | 51.2 | Low | 60.7 | Low | 79 Ų | 79 | 119.1 Ų | 119.1 | 81% | 0.814 | 70% | 0.7 | S | S | * | * | | | trans | -87.5 | 116.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 3 | L | 58.1 | Low | 62.8 | Low | 164 Ų | 164 | 124.7 Ų | 124.7 | 86% | 0.859 | 70% | 0.703 | S | S | * | * | | | trans | -65.4 | 129.5 | 171.6 | -84.8 | 151.2 | 0 | 0 | 0 | 109 | V5 | L3-V5 PolarHBondContact O-N 3.24Å; L3-V5 VanDerWaalsContact O-N 3.11Å |
| 4 | P | 56.2 | Low | 64.9 | Low | 120 Ų | 120 | 122.3 Ų | 122.3 | 78% | 0.779 | 69% | 0.692 | S | S | * | * | | | trans | -70.2 | 111 | 173.1 | 27.9 | -30.9 | 0 | 0 | 0 | 108.4 | S6 | P4-S6 PolarHBondContact O-N 2.89Š|
| 5 | V | 55.5 | Low | 66.6 | Low | 133 Ų | 133 | 121.8 Ų | 121.8 | 81% | 0.806 | 69% | 0.686 | S | S | * | * | | | trans | -62.6 | 103.1 | 169.1 | 175.4 | 0 | 0 | 0 | 0 | 107 | L3 W7 | L3-V5 PolarHBondContact O-N 3.24Å; L3-V5 VanDerWaalsContact O-N 3.11Å; V5-W7 PolarHBondContact O-N 3.11Å |
| 6 | S | 59.3 | Low | 68.3 | Low | 95 Ų | 95 | 116.8 Ų | 116.8 | 66% | 0.664 | 67% | 0.669 | S | S | * | * | | | trans | -61.2 | 105.1 | 177.7 | 175.5 | 0 | 0 | 0 | 0 | 109.5 | P4 A8 | P4-S6 PolarHBondContact O-N 2.89Å; S6-A8 PolarHBondContact O-N 3.08Å; S6-A8 WeakPolarHBondContact OG-CB 3.23Å |
| 7 | W | 54.7 | Low | 69.8 | Low | 227 Ų | 227 | 113.9 Ų | 113.9 | 86% | 0.86 | 66% | 0.657 | S | S | * | * | | | trans | -74.4 | 35.5 | 173.4 | -151.5 | -65.3 | 0 | 0 | 0 | 111.8 | V5 P9 | V5-W7 PolarHBondContact O-N 3.11Å; W7-P9 VanDerWaalsContact O-CD 3.23Å; W7-P9 WeakPolarHBondContact O-CD 3.4Å |
| 8 | A | 57.7 | Low | 71.2 | Confident | 47 Ų | 47 | 111 Ų | 111 | 39% | 0.388 | 64% | 0.644 | S | S | . | * | | | trans | -84.1 | 16.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 117 | S6 | S6-A8 PolarHBondContact O-N 3.08Å; S6-A8 WeakPolarHBondContact OG-CB 3.23Å |
| 9 | P | 66.7 | Low | 72.5 | Confident | 69 Ų | 69 | 108.3 Ų | 108.3 | 45% | 0.448 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -64 | -47.5 | 177.3 | -10.9 | 20.4 | 0 | 0 | 0 | 115.1 | W7 A11 L12 W13 | W7-P9 VanDerWaalsContact O-CD 3.23Å; W7-P9 WeakPolarHBondContact O-CD 3.4Å; P9-A11 PolarHBondContact O-N 3.38Å; P9-L12 PolarHBondContact O-N 2.94Å; P9-W13 VanDerWaalsContact O-CD1 3.24Å; P9-W13 PolarHBondContact O-N 2.92Å |
| 10 | P | 72.4 | Confident | 73.7 | Confident | 75 Ų | 75 | 109.3 Ų | 109.3 | 49% | 0.487 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -72.2 | -34.2 | -163.2 | 25.8 | -32.5 | 0 | 0 | 0 | 113 | L12 W13 V14 | P10-L12 PolarHBondContact O-N 3.35Å; P10-W13 PolarHBondContact O-N 2.95Å; P10-V14 VanDerWaalsContact O-CG2 3.29Å; P10-V14 WeakPolarHBondContact O-CG2 3.33Å; P10-V14 PolarHBondContact O-N 3.33Å |
| 11 | A | 75.7 | Confident | 74.8 | Confident | 58 Ų | 58 | 109.6 Ų | 109.6 | 48% | 0.479 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.9 | -38.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P9 V14 L15 | P9-A11 PolarHBondContact O-N 3.38Å; A11-V14 PolarHBondContact O-N 2.88Å; A11-L15 WeakPolarHBondContact O-CB 3.05Å; A11-L15 WeakPolarHBondContact O-CD1 3.45Å; A11-L15 VanDerWaalsContact O-CG 3.27Å; A11-L15 WeakPolarHBondContact O-CG 3.34Å; A11-L15 PolarHBondContact O-N 3.29Å |
| 12 | L | 80.6 | Confident | 77.5 | Confident | 120 Ų | 120 | 103.8 Ų | 103.8 | 63% | 0.628 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.8 | -38.1 | 176.4 | -69.1 | 173.1 | 0 | 0 | 0 | 111.9 | P9 P10 L15 G16 | P9-L12 PolarHBondContact O-N 2.94Å; P10-L12 PolarHBondContact O-N 3.35Å; L12-L15 PolarHBondContact O-N 3.22Å; L12-G16 PolarHBondContact O-N 3.26Å |
| 13 | W | 87.6 | Confident | 79.6 | Confident | 192 Ų | 192 | 103.8 Ų | 103.8 | 73% | 0.727 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.1 | -43.7 | 172.9 | -84.1 | 95.7 | 0 | 0 | 0 | 112 | P9 P10 G16 C17 | P9-W13 VanDerWaalsContact O-CD1 3.24Å; P9-W13 PolarHBondContact O-N 2.92Å; P10-W13 PolarHBondContact O-N 2.95Å; W13-G16 PolarHBondContact O-N 3.41Å; W13-C17 WeakPolarHBondContact O-CB 3.41Å; W13-C17 PolarHBondContact O-N 3.43Å; W13-C17 PolarHBondContact O-SG 2.85Å |
| 14 | V | 91.8 | Very high | 81.5 | Confident | 91 Ų | 91 | 100.8 Ų | 100.8 | 55% | 0.552 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.2 | -45.8 | 176.3 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | P10 A11 G16 C17 C18 | P10-V14 VanDerWaalsContact O-CG2 3.29Å; P10-V14 WeakPolarHBondContact O-CG2 3.33Å; P10-V14 PolarHBondContact O-N 3.33Å; A11-V14 PolarHBondContact O-N 2.88Å; V14-G16 VanDerWaalsContact C-N 3.33Å; V14-G16 PolarHBondContact O-N 3.13Å; V14-C17 PolarHBondContact O-N 3.4Å; V14-C18 WeakPolarHBondContact O-CB 3.47Å; V14-C18 PolarHBondContact O-N 2.9Å; V14-C18 PolarHBondContact O-SG 3.31Å |
| 15 | L | 91.5 | Very high | 83.5 | Confident | 115 Ų | 115 | 103.7 Ų | 103.7 | 60% | 0.602 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.5 | -41.9 | 175.7 | -75.9 | 159.4 | 0 | 0 | 0 | 111.8 | A11 L12 C18 A19 | A11-L15 WeakPolarHBondContact O-CB 3.05Å; A11-L15 WeakPolarHBondContact O-CD1 3.45Å; A11-L15 VanDerWaalsContact O-CG 3.27Å; A11-L15 WeakPolarHBondContact O-CG 3.34Å; A11-L15 PolarHBondContact O-N 3.29Å; L12-L15 PolarHBondContact O-N 3.22Å; L15-C18 PolarHBondContact O-N 2.94Å; L15-A19 WeakPolarHBondContact O-CB 3.41Å; L15-A19 PolarHBondContact O-N 3.47Å |
| 16 | G | 93.6 | Very high | 85.4 | Confident | 41 Ų | 41 | 99.8 Ų | 99.8 | 42% | 0.423 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.5 | -45.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L12 W13 V14 A19 L20 | L12-G16 PolarHBondContact O-N 3.26Å; W13-G16 PolarHBondContact O-N 3.41Å; V14-G16 VanDerWaalsContact C-N 3.33Å; V14-G16 PolarHBondContact O-N 3.13Å; G16-A19 PolarHBondContact O-N 2.82Å; G16-L20 WeakPolarHBondContact O-CB 3.21Å; G16-L20 PolarHBondContact O-N 3.22Å |
| 17 | C | 93.8 | Very high | 87.2 | Confident | 69 Ų | 69 | 100.6 Ų | 100.6 | 47% | 0.466 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.1 | -43.8 | 174.5 | -77.1 | 0 | 0 | 0 | 0 | 111.9 | W13 V14 L20 L21 | W13-C17 WeakPolarHBondContact O-CB 3.41Å; W13-C17 PolarHBondContact O-N 3.43Å; W13-C17 PolarHBondContact O-SG 2.85Å; V14-C17 PolarHBondContact O-N 3.4Å; C17-L20 PolarHBondContact O-N 2.88Å; C17-L21 WeakPolarHBondContact O-CB 3.22Å; C17-L21 VanDerWaalsContact O-CG 3.3Å; C17-L21 WeakPolarHBondContact O-CG 3.41Å; C17-L21 PolarHBondContact O-N 3.39Å |
| 18 | C | 94.2 | Very high | 89.2 | Confident | 61 Ų | 61 | 92.5 Ų | 92.5 | 41% | 0.412 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 175.4 | -71 | 0 | 0 | 0 | 0 | 111.3 | V14 L15 L20 L21 L22 | V14-C18 WeakPolarHBondContact O-CB 3.47Å; V14-C18 PolarHBondContact O-N 2.9Å; V14-C18 PolarHBondContact O-SG 3.31Å; L15-C18 PolarHBondContact O-N 2.94Å; C18-L20 VanDerWaalsContact C-N 3.33Å; C18-L20 PolarHBondContact O-N 3.15Å; C18-L21 PolarHBondContact O-N 3.42Å; C18-L22 WeakPolarHBondContact O-CB 3.33Å; C18-L22 WeakPolarHBondContact O-CG 3.31Å; C18-L22 PolarHBondContact O-N 3.49Å |
| 19 | A | 96 | Very high | 90.8 | Very high | 60 Ų | 60 | 92.4 Ų | 92.4 | 50% | 0.496 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L15 G16 S23 | L15-A19 WeakPolarHBondContact O-CB 3.41Å; L15-A19 PolarHBondContact O-N 3.47Å; G16-A19 PolarHBondContact O-N 2.82Å; A19-S23 VanDerWaalsContact O-CB 3.26Å; A19-S23 WeakPolarHBondContact O-CB 3.4Å; A19-S23 PolarHBondContact O-N 3.48Å |
| 20 | L | 96.8 | Very high | 92.1 | Very high | 127 Ų | 127 | 91.1 Ų | 91.1 | 67% | 0.665 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.7 | -45.8 | 177.2 | -162.1 | 88.5 | 0 | 0 | 0 | 111.8 | G16 C17 C18 S23 L24 | G16-L20 WeakPolarHBondContact O-CB 3.21Å; G16-L20 PolarHBondContact O-N 3.22Å; C17-L20 PolarHBondContact O-N 2.88Å; C18-L20 VanDerWaalsContact C-N 3.33Å; C18-L20 PolarHBondContact O-N 3.15Å; L20-S23 PolarHBondContact O-N 3.07Å; L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 PolarHBondContact O-N 2.76Å |
| 21 | L | 96.9 | Very high | 93.1 | Very high | 117 Ų | 117 | 90.3 Ų | 90.3 | 61% | 0.613 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.4 | -43.5 | 178.3 | -71.6 | 171.5 | 0 | 0 | 0 | 111.5 | C17 C18 L24 W25 | C17-L21 WeakPolarHBondContact O-CB 3.22Å; C17-L21 VanDerWaalsContact O-CG 3.3Å; C17-L21 WeakPolarHBondContact O-CG 3.41Å; C17-L21 PolarHBondContact O-N 3.39Å; C18-L21 PolarHBondContact O-N 3.42Å; L21-L24 PolarHBondContact O-N 3.18Å; L21-W25 WeakPolarHBondContact O-CB 3.27Å; L21-W25 PolarHBondContact O-N 3.09Å |
| 22 | L | 96.8 | Very high | 93.8 | Very high | 120 Ų | 120 | 96.8 Ų | 96.8 | 63% | 0.628 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.7 | -41.5 | 176.3 | -69.3 | 172.6 | 0 | 0 | 0 | 111.7 | C18 W25 A26 | C18-L22 WeakPolarHBondContact O-CB 3.33Å; C18-L22 WeakPolarHBondContact O-CG 3.31Å; C18-L22 PolarHBondContact O-N 3.49Å; L22-W25 PolarHBondContact O-N 2.84Å; L22-A26 WeakPolarHBondContact O-CB 3.34Å; L22-A26 PolarHBondContact O-N 2.98Å |
| 23 | S | 96.5 | Very high | 94.1 | Very high | 78 Ų | 78 | 100.4 Ų | 100.4 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 174.9 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | A19 L20 W25 A26 L27 | A19-S23 VanDerWaalsContact O-CB 3.26Å; A19-S23 WeakPolarHBondContact O-CB 3.4Å; A19-S23 PolarHBondContact O-N 3.48Å; L20-S23 PolarHBondContact O-N 3.07Å; S23-W25 VanDerWaalsContact C-N 3.33Å; S23-W25 PolarHBondContact O-N 3.32Å; S23-A26 PolarHBondContact O-N 2.89Å; S23-L27 WeakPolarHBondContact O-CB 3.48Å; S23-L27 PolarHBondContact O-N 2.72Å |
| 24 | L | 97.6 | Very high | 94 | Very high | 102 Ų | 102 | 98.5 Ų | 98.5 | 53% | 0.534 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 177.2 | -174.8 | 63.2 | 0 | 0 | 0 | 111.3 | L20 L21 L27 C28 | L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 PolarHBondContact O-N 2.76Å; L21-L24 PolarHBondContact O-N 3.18Å; L24-L27 PolarHBondContact O-N 3.4Å; L24-C28 VanDerWaalsContact O-CB 3.29Å; L24-C28 WeakPolarHBondContact O-CB 3.42Å; L24-C28 PolarHBondContact O-N 2.89Å; L24-C28 PolarHBondContact O-SG 2.97Å; L24-C28 VanDerWaalsContact O-SG 3.34Å |
| 25 | W | 97.6 | Very high | 93.5 | Very high | 180 Ų | 180 | 102.9 Ų | 102.9 | 68% | 0.682 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.1 | -44 | 176.9 | -166.1 | 84.2 | 0 | 0 | 0 | 112 | L21 L22 S23 L27 C28 T29 | L21-W25 WeakPolarHBondContact O-CB 3.27Å; L21-W25 PolarHBondContact O-N 3.09Å; L22-W25 PolarHBondContact O-N 2.84Å; S23-W25 VanDerWaalsContact C-N 3.33Å; S23-W25 PolarHBondContact O-N 3.32Å; W25-L27 VanDerWaalsContact C-N 3.34Å; W25-L27 PolarHBondContact O-N 3.2Å; W25-C28 PolarHBondContact O-N 3.1Å; W25-T29 HydrophobicContact CD2-CG2 4.02Å; W25-T29 HydrophobicContact CE3-CG2 4.13Å; W25-T29 HydrophobicContact CH2-CG2 4.2Å; W25-T29 HydrophobicContact CZ2-CG2 4.09Å; W25-T29 HydrophobicContact CZ3-CG2 4.22Å; W25-T29 VanDerWaalsContact O-CG2 3.3Å; W25-T29 WeakPolarHBondContact O-CG2 3.45Å; W25-T29 PolarHBondContact O-N 3.36Å; W25-T29 PolarHBondContact O-OG1 3.44Å |
| 26 | A | 96.7 | Very high | 92.9 | Very high | 52 Ų | 52 | 99.4 Ų | 99.4 | 43% | 0.43 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L22 S23 T29 A30 | L22-A26 WeakPolarHBondContact O-CB 3.34Å; L22-A26 PolarHBondContact O-N 2.98Å; S23-A26 PolarHBondContact O-N 2.89Å; A26-T29 WeakPolarHBondContact CA-OG1 3.29Å; A26-T29 PolarHBondContact O-N 3.34Å; A26-T29 PolarHBondContact O-OG1 3.4Å; A26-A30 VanDerWaalsContact O-CB 3.27Å; A26-A30 WeakPolarHBondContact O-CB 3.34Å; A26-A30 PolarHBondContact O-N 3.03Å |
| 27 | L | 96.6 | Very high | 92 | Very high | 111 Ų | 111 | 107 Ų | 107 | 58% | 0.581 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.9 | -40.5 | 178 | -157.1 | 71.2 | 0 | 0 | 0 | 111.6 | S23 L24 W25 A30 C31 | S23-L27 WeakPolarHBondContact O-CB 3.48Å; S23-L27 PolarHBondContact O-N 2.72Å; L24-L27 PolarHBondContact O-N 3.4Å; W25-L27 VanDerWaalsContact C-N 3.34Å; W25-L27 PolarHBondContact O-N 3.2Å; L27-A30 PolarHBondContact O-N 3Å; L27-C31 VanDerWaalsContact O-CB 3.25Å; L27-C31 WeakPolarHBondContact O-CB 3.36Å; L27-C31 PolarHBondContact O-N 2.99Å; L27-C31 PolarHBondContact O-SG 3.28Å |
| 28 | C | 95.6 | Very high | 91.1 | Very high | 58 Ų | 58 | 113.3 Ų | 113.3 | 39% | 0.392 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.6 | -43.5 | 175.5 | -79.3 | 0 | 0 | 0 | 0 | 112.1 | L24 W25 C31 R32 | L24-C28 VanDerWaalsContact O-CB 3.29Å; L24-C28 WeakPolarHBondContact O-CB 3.42Å; L24-C28 PolarHBondContact O-N 2.89Å; L24-C28 PolarHBondContact O-SG 2.97Å; L24-C28 VanDerWaalsContact O-SG 3.34Å; W25-C28 PolarHBondContact O-N 3.1Å; C28-C31 PolarHBondContact O-N 2.98Å; C28-R32 WeakPolarHBondContact O-CB 3.42Å; C28-R32 VanDerWaalsContact O-CG 3.32Å; C28-R32 WeakPolarHBondContact O-CG 3.31Å; C28-R32 PolarHBondContact O-N 3.11Å |
| 29 | T | 92.9 | Very high | 90.1 | Very high | 44 Ų | 44 | 117 Ų | 117 | 27% | 0.27 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.5 | -40.8 | 177.2 | 55.3 | 0 | 0 | 0 | 0 | 111.2 | W25 A26 R32 R33 | W25-T29 HydrophobicContact CD2-CG2 4.02Å; W25-T29 HydrophobicContact CE3-CG2 4.13Å; W25-T29 HydrophobicContact CH2-CG2 4.2Å; W25-T29 HydrophobicContact CZ2-CG2 4.09Å; W25-T29 HydrophobicContact CZ3-CG2 4.22Å; W25-T29 VanDerWaalsContact O-CG2 3.3Å; W25-T29 WeakPolarHBondContact O-CG2 3.45Å; W25-T29 PolarHBondContact O-N 3.36Å; W25-T29 PolarHBondContact O-OG1 3.44Å; A26-T29 WeakPolarHBondContact CA-OG1 3.29Å; A26-T29 PolarHBondContact O-N 3.34Å; A26-T29 PolarHBondContact O-OG1 3.4Å; T29-R32 PolarHBondContact O-N 3.41Å; T29-R33 WeakPolarHBondContact O-CB 3.48Å; T29-R33 VanDerWaalsContact O-CG 3.3Å; T29-R33 WeakPolarHBondContact O-CG 3.37Å; T29-R33 PolarHBondContact O-N 3.34Å |
| 30 | A | 92.1 | Very high | 88.8 | Confident | 42 Ų | 42 | 123 Ų | 123 | 35% | 0.347 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.8 | -43 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | A26 L27 R33 K34 | A26-A30 VanDerWaalsContact O-CB 3.27Å; A26-A30 WeakPolarHBondContact O-CB 3.34Å; A26-A30 PolarHBondContact O-N 3.03Å; L27-A30 PolarHBondContact O-N 3Å; A30-R33 PolarHBondContact O-N 3.23Å; A30-K34 WeakPolarHBondContact O-CB 3.3Å; A30-K34 WeakPolarHBondContact O-CG 3.13Å; A30-K34 PolarHBondContact O-N 2.91Å |
| 31 | C | 93.9 | Very high | 87.4 | Confident | 58 Ų | 58 | 119.8 Ų | 119.8 | 39% | 0.392 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.9 | -42.9 | 175.6 | -73.6 | 0 | 0 | 0 | 0 | 112.1 | L27 C28 K34 R35 | L27-C31 VanDerWaalsContact O-CB 3.25Å; L27-C31 WeakPolarHBondContact O-CB 3.36Å; L27-C31 PolarHBondContact O-N 2.99Å; L27-C31 PolarHBondContact O-SG 3.28Å; C28-C31 PolarHBondContact O-N 2.98Å; C31-K34 PolarHBondContact O-N 3.35Å; C31-R35 WeakPolarHBondContact O-CB 3.27Å; C31-R35 VanDerWaalsContact O-CG 3.31Å; C31-R35 WeakPolarHBondContact O-CG 3.37Å; C31-R35 PolarHBondContact O-N 3.48Å |
| 32 | R | 90.8 | Very high | 86.2 | Confident | 194 Ų | 194 | 124.1 Ų | 124.1 | 73% | 0.732 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.3 | -42.4 | 175.3 | -77.4 | -176.9 | -176.7 | -102.5 | 2.7 | 111.2 | C28 T29 R35 A36 | C28-R32 WeakPolarHBondContact O-CB 3.42Å; C28-R32 VanDerWaalsContact O-CG 3.32Å; C28-R32 WeakPolarHBondContact O-CG 3.31Å; C28-R32 PolarHBondContact O-N 3.11Å; T29-R32 PolarHBondContact O-N 3.41Å; R32-R35 PolarHBondContact O-N 3.09Å; R32-A36 VanDerWaalsContact O-CB 3.24Å; R32-A36 WeakPolarHBondContact O-CB 3.41Å; R32-A36 PolarHBondContact O-N 3.16Å |
| 33 | R | 86.1 | Confident | 85.1 | Confident | 196 Ų | 196 | 124.2 Ų | 124.2 | 74% | 0.74 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.5 | -44.6 | 173.8 | -74.4 | 178.9 | -175.8 | -166.9 | 2.8 | 111.9 | T29 A30 A36 R37 | T29-R33 WeakPolarHBondContact O-CB 3.48Å; T29-R33 VanDerWaalsContact O-CG 3.3Å; T29-R33 WeakPolarHBondContact O-CG 3.37Å; T29-R33 PolarHBondContact O-N 3.34Å; A30-R33 PolarHBondContact O-N 3.23Å; R33-A36 PolarHBondContact O-N 2.9Å; R33-R37 WeakPolarHBondContact O-CB 3.31Å; R33-R37 PolarHBondContact O-N 2.9Å |
| 34 | K | 87.1 | Confident | 83.8 | Confident | 152 Ų | 152 | 127 Ų | 127 | 66% | 0.661 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.4 | -42.7 | 176.3 | -76.4 | -177.9 | -179.9 | -178 | 0 | 112 | A30 C31 R37 R38 | A30-K34 WeakPolarHBondContact O-CB 3.3Å; A30-K34 WeakPolarHBondContact O-CG 3.13Å; A30-K34 PolarHBondContact O-N 2.91Å; C31-K34 PolarHBondContact O-N 3.35Å; K34-R37 PolarHBondContact O-N 2.96Å; K34-R38 WeakPolarHBondContact O-CG 3.34Å; K34-R38 PolarHBondContact O-N 2.89Å |
| 35 | R | 80 | Confident | 82.3 | Confident | 184 Ų | 184 | 124 Ų | 124 | 69% | 0.694 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.5 | -43.3 | 176.8 | -72.4 | 179.6 | -175.8 | -154.9 | 2.8 | 111.9 | C31 R32 R37 R38 Q39 | C31-R35 WeakPolarHBondContact O-CB 3.27Å; C31-R35 VanDerWaalsContact O-CG 3.31Å; C31-R35 WeakPolarHBondContact O-CG 3.37Å; C31-R35 PolarHBondContact O-N 3.48Å; R32-R35 PolarHBondContact O-N 3.09Å; R35-R37 VanDerWaalsContact C-N 3.35Å; R35-R37 PolarHBondContact O-N 3.13Å; R35-R38 PolarHBondContact O-N 3.39Å; R35-Q39 WeakPolarHBondContact O-CB 3.12Å; R35-Q39 WeakPolarHBondContact O-CG 3.38Å; R35-Q39 PolarHBondContact O-N 3.46Å |
| 36 | A | 78.3 | Confident | 80.5 | Confident | 41 Ų | 41 | 118.6 Ų | 118.6 | 34% | 0.339 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.1 | -41.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R32 R33 Q39 R40 | R32-A36 VanDerWaalsContact O-CB 3.24Å; R32-A36 WeakPolarHBondContact O-CB 3.41Å; R32-A36 PolarHBondContact O-N 3.16Å; R33-A36 PolarHBondContact O-N 2.9Å; A36-Q39 PolarHBondContact O-N 2.98Å; A36-R40 WeakPolarHBondContact O-CB 3.24Å; A36-R40 WeakPolarHBondContact O-CG 3.35Å; A36-R40 PolarHBondContact O-N 3.31Å |
| 37 | R | 76.1 | Confident | 79.1 | Confident | 201 Ų | 201 | 118.7 Ų | 118.7 | 76% | 0.758 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64 | -42.1 | 174.1 | -170.1 | 176.1 | -179.9 | -172.3 | -0.1 | 111.9 | R33 K34 R35 R40 A41 | R33-R37 WeakPolarHBondContact O-CB 3.31Å; R33-R37 PolarHBondContact O-N 2.9Å; K34-R37 PolarHBondContact O-N 2.96Å; R35-R37 VanDerWaalsContact C-N 3.35Å; R35-R37 PolarHBondContact O-N 3.13Å; R37-R40 PolarHBondContact O-N 3.35Å; R37-A41 WeakPolarHBondContact O-CB 3.42Å; R37-A41 PolarHBondContact O-N 3.43Å |
| 38 | R | 74.3 | Confident | 77.7 | Confident | 201 Ų | 201 | 117.8 Ų | 117.8 | 76% | 0.758 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.9 | -40.6 | 174.6 | -75.1 | -176.3 | -174.7 | -144.2 | 1.6 | 112.3 | K34 R35 A41 R42 | K34-R38 WeakPolarHBondContact O-CG 3.34Å; K34-R38 PolarHBondContact O-N 2.89Å; R35-R38 PolarHBondContact O-N 3.39Å; R38-A41 PolarHBondContact O-N 3.47Å; R38-R42 VanDerWaalsContact O-CB 3.29Å; R38-R42 WeakPolarHBondContact O-CB 3.34Å; R38-R42 PolarHBondContact O-N 3.08Å |
| 39 | Q | 73 | Confident | 76.2 | Confident | 140 Ų | 140 | 117.8 Ų | 117.8 | 65% | 0.654 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.1 | -43.7 | 175.6 | -76.8 | 179.1 | -24.5 | 0 | 0 | 111.4 | R35 A36 R42 L43 | R35-Q39 WeakPolarHBondContact O-CB 3.12Å; R35-Q39 WeakPolarHBondContact O-CG 3.38Å; R35-Q39 PolarHBondContact O-N 3.46Å; A36-Q39 PolarHBondContact O-N 2.98Å; Q39-R42 PolarHBondContact O-N 3.27Å; Q39-L43 VanDerWaalsContact O-CB 3.27Å; Q39-L43 WeakPolarHBondContact O-CB 3.46Å; Q39-L43 PolarHBondContact O-N 2.84Å |
| 40 | R | 68.7 | Low | 75 | Confident | 184 Ų | 184 | 117.9 Ų | 117.9 | 69% | 0.694 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.6 | -43.6 | 173.2 | -74.5 | 179.1 | -179.4 | -174.1 | -0.5 | 112.1 | A36 R37 L43 Q44 | A36-R40 WeakPolarHBondContact O-CB 3.24Å; A36-R40 WeakPolarHBondContact O-CG 3.35Å; A36-R40 PolarHBondContact O-N 3.31Å; R37-R40 PolarHBondContact O-N 3.35Å; R40-L43 PolarHBondContact O-N 3.39Å; R40-Q44 WeakPolarHBondContact O-CB 3.29Å; R40-Q44 WeakPolarHBondContact O-CG 3.3Å; R40-Q44 PolarHBondContact O-N 2.85Å |
| 41 | A | 68.3 | Low | 73.8 | Confident | 60 Ų | 60 | 122.2 Ų | 122.2 | 50% | 0.496 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.4 | -37.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R37 R38 G45 | R37-A41 WeakPolarHBondContact O-CB 3.42Å; R37-A41 PolarHBondContact O-N 3.43Å; R38-A41 PolarHBondContact O-N 3.47Å; A41-G45 PolarHBondContact O-N 2.84Å |
| 42 | R | 70.3 | Confident | 72.6 | Confident | 208 Ų | 208 | 122 Ų | 122 | 79% | 0.785 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.5 | -38.3 | 176.5 | -155.9 | -179.4 | -156 | -149 | 5.2 | 111.6 | R38 Q39 S46 | R38-R42 VanDerWaalsContact O-CB 3.29Å; R38-R42 WeakPolarHBondContact O-CB 3.34Å; R38-R42 PolarHBondContact O-N 3.08Å; Q39-R42 PolarHBondContact O-N 3.27Å; R42-S46 VanDerWaalsContact O-CB 3.31Å; R42-S46 WeakPolarHBondContact O-CB 3.4Å; R42-S46 PolarHBondContact O-N 2.9Å; R42-S46 PolarHBondContact O-OG 3.42Å; R42-S46 VanDerWaalsContact O-OG 3.1Å |
| 43 | L | 73.9 | Confident | 71.5 | Confident | 123 Ų | 123 | 116 Ų | 116 | 64% | 0.644 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.2 | -47.2 | 174.7 | -166.2 | 87.5 | 0 | 0 | 0 | 110.8 | Q39 R40 S46 A47 | Q39-L43 VanDerWaalsContact O-CB 3.27Å; Q39-L43 WeakPolarHBondContact O-CB 3.46Å; Q39-L43 PolarHBondContact O-N 2.84Å; R40-L43 PolarHBondContact O-N 3.39Å; L43-S46 WeakPolarHBondContact CA-OG 3.43Å; L43-S46 PolarHBondContact O-N 2.83Å; L43-S46 PolarHBondContact O-OG 2.78Å; L43-A47 WeakPolarHBondContact O-CB 3.39Å; L43-A47 PolarHBondContact O-N 3.3Å |
| 44 | Q | 70 | Confident | 70.7 | Confident | 137 Ų | 137 | 111.8 Ų | 111.8 | 64% | 0.64 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.1 | -44.2 | 176.2 | -76.6 | -172.3 | -4.9 | 0 | 0 | 111.7 | R40 S46 A47 T48 | R40-Q44 WeakPolarHBondContact O-CB 3.29Å; R40-Q44 WeakPolarHBondContact O-CG 3.3Å; R40-Q44 PolarHBondContact O-N 2.85Å; Q44-S46 VanDerWaalsContact C-N 3.31Å; Q44-S46 PolarHBondContact O-N 3.01Å; Q44-A47 PolarHBondContact O-N 3.4Å; Q44-T48 WeakPolarHBondContact O-CG2 3.32Å; Q44-T48 PolarHBondContact O-N 2.81Å; Q44-T48 PolarHBondContact O-OG1 2.89Å |
| 45 | G | 65.7 | Low | 69.7 | Low | 38 Ų | 38 | 110.2 Ų | 110.2 | 39% | 0.392 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.4 | -33.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A41 T48 A49 | A41-G45 PolarHBondContact O-N 2.84Å; G45-T48 PolarHBondContact O-OG1 3.01Å; G45-A49 WeakPolarHBondContact O-CB 3.35Å; G45-A49 PolarHBondContact O-N 3.07Å; G45-A49 VanDerWaalsContact O-N 3.13Å |
| 46 | S | 60.5 | Low | 69 | Low | 67 Ų | 67 | 110.9 Ų | 110.9 | 47% | 0.469 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -74 | -36.2 | 173.4 | 64.2 | 0 | 0 | 0 | 0 | 112.9 | R42 L43 Q44 A50 | R42-S46 VanDerWaalsContact O-CB 3.31Å; R42-S46 WeakPolarHBondContact O-CB 3.4Å; R42-S46 PolarHBondContact O-N 2.9Å; R42-S46 PolarHBondContact O-OG 3.42Å; R42-S46 VanDerWaalsContact O-OG 3.1Å; L43-S46 WeakPolarHBondContact CA-OG 3.43Å; L43-S46 PolarHBondContact O-N 2.83Å; L43-S46 PolarHBondContact O-OG 2.78Å; Q44-S46 VanDerWaalsContact C-N 3.31Å; Q44-S46 PolarHBondContact O-N 3.01Å; S46-A50 WeakPolarHBondContact O-CB 3.31Å; S46-A50 PolarHBondContact O-N 3.46Å |
| 47 | A | 67.3 | Low | 68.6 | Low | 54 Ų | 54 | 117.6 Ų | 117.6 | 45% | 0.446 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.7 | -46.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L43 Q44 A50 E51 | L43-A47 WeakPolarHBondContact O-CB 3.39Å; L43-A47 PolarHBondContact O-N 3.3Å; Q44-A47 PolarHBondContact O-N 3.4Å; A47-A50 PolarHBondContact O-N 3.26Å; A47-E51 PolarHBondContact O-N 3.1Å |
| 48 | T | 67 | Low | 68.2 | Low | 91 Ų | 91 | 111.6 Ų | 111.6 | 56% | 0.558 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.1 | -36 | 177.9 | 57.4 | 0 | 0 | 0 | 0 | 112.2 | Q44 G45 A52 | Q44-T48 WeakPolarHBondContact O-CG2 3.32Å; Q44-T48 PolarHBondContact O-N 2.81Å; Q44-T48 PolarHBondContact O-OG1 2.89Å; G45-T48 PolarHBondContact O-OG1 3.01Å; T48-A52 VanDerWaalsContact O-CB 3.3Å; T48-A52 WeakPolarHBondContact O-CB 3.4Å; T48-A52 PolarHBondContact O-N 2.87Å |
| 49 | A | 63.6 | Low | 67.5 | Low | 58 Ų | 58 | 107.9 Ų | 107.9 | 48% | 0.479 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.9 | -39 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | G45 S53 | G45-A49 WeakPolarHBondContact O-CB 3.35Å; G45-A49 PolarHBondContact O-N 3.07Å; G45-A49 VanDerWaalsContact O-N 3.13Å; A49-S53 WeakPolarHBondContact O-CB 3.37Å; A49-S53 PolarHBondContact O-N 3.41Å; A49-S53 PolarHBondContact O-OG 3.39Å |
| 50 | A | 68.2 | Low | 66.8 | Low | 47 Ų | 47 | 106.8 Ų | 106.8 | 39% | 0.388 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.1 | -43.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | S46 A47 S53 L54 | S46-A50 WeakPolarHBondContact O-CB 3.31Å; S46-A50 PolarHBondContact O-N 3.46Å; A47-A50 PolarHBondContact O-N 3.26Å; A50-S53 PolarHBondContact O-N 2.85Å; A50-S53 PolarHBondContact O-OG 3.3Å; A50-L54 WeakPolarHBondContact O-CB 3.46Å; A50-L54 PolarHBondContact O-N 2.81Å |
| 51 | E | 67.7 | Low | 66.2 | Low | 132 Ų | 132 | 101.5 Ų | 101.5 | 62% | 0.617 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64 | -44.9 | 174.8 | -79.7 | -159.6 | 156 | 0 | 0 | 112.4 | A47 S53 L54 L55 | A47-E51 PolarHBondContact O-N 3.1Å; E51-S53 VanDerWaalsContact C-N 3.25Å; E51-S53 PolarHBondContact O-N 3.44Å; E51-L54 PolarHBondContact O-N 3.37Å; E51-L55 WeakPolarHBondContact O-CB 3.4Å; E51-L55 VanDerWaalsContact O-CG 3.31Å; E51-L55 WeakPolarHBondContact O-CG 3.3Å; E51-L55 PolarHBondContact O-N 3.4Å |
| 52 | A | 68.4 | Low | 65.6 | Low | 54 Ų | 54 | 102.9 Ų | 102.9 | 45% | 0.446 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.6 | -35 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T48 R56 | T48-A52 VanDerWaalsContact O-CB 3.3Å; T48-A52 WeakPolarHBondContact O-CB 3.4Å; T48-A52 PolarHBondContact O-N 2.87Å; A52-R56 WeakPolarHBondContact O-CB 3.4Å; A52-R56 PolarHBondContact O-N 3.36Å |
| 53 | S | 66.7 | Low | 64.8 | Low | 69 Ų | 69 | 97.6 Ų | 97.6 | 48% | 0.483 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -72 | -37.7 | 175.8 | 77.8 | 0 | 0 | 0 | 0 | 112.7 | A49 A50 E51 R57 | A49-S53 WeakPolarHBondContact O-CB 3.37Å; A49-S53 PolarHBondContact O-N 3.41Å; A49-S53 PolarHBondContact O-OG 3.39Å; A50-S53 PolarHBondContact O-N 2.85Å; A50-S53 PolarHBondContact O-OG 3.3Å; E51-S53 VanDerWaalsContact C-N 3.25Å; E51-S53 PolarHBondContact O-N 3.44Å; S53-R57 WeakPolarHBondContact O-CB 3.27Å; S53-R57 PolarHBondContact O-N 2.8Å |
| 54 | L | 70.6 | Confident | 63.8 | Low | 107 Ų | 107 | 96.1 Ų | 96.1 | 56% | 0.56 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.9 | -46.4 | 174.4 | -91.7 | 162.2 | 0 | 0 | 0 | 110.9 | A50 E51 R56 R57 T58 | A50-L54 WeakPolarHBondContact O-CB 3.46Å; A50-L54 PolarHBondContact O-N 2.81Å; E51-L54 PolarHBondContact O-N 3.37Å; L54-R56 PolarHBondContact O-N 2.84Å; L54-R57 PolarHBondContact O-N 3.45Å; L54-T58 WeakPolarHBondContact O-CG2 3.29Å; L54-T58 PolarHBondContact O-N 3.5Å; L54-T58 PolarHBondContact O-OG1 2.9Å |
| 55 | L | 66.2 | Low | 63.2 | Low | 118 Ų | 118 | 98.5 Ų | 98.5 | 62% | 0.618 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.7 | -39.2 | 176.6 | -70 | 171 | 0 | 0 | 0 | 112.3 | E51 T58 H59 | E51-L55 WeakPolarHBondContact O-CB 3.4Å; E51-L55 VanDerWaalsContact O-CG 3.31Å; E51-L55 WeakPolarHBondContact O-CG 3.3Å; E51-L55 PolarHBondContact O-N 3.4Å; L55-T58 WeakPolarHBondContact CA-OG1 3.25Å; L55-T58 PolarHBondContact O-OG1 3.34Å; L55-H59 WeakPolarHBondContact O-CB 3.21Å; L55-H59 PolarHBondContact O-N 2.87Å; L55-H59 VanDerWaalsContact O-N 3.1Å |
| 56 | R | 65 | Low | 62.7 | Low | 199 Ų | 199 | 100.8 Ų | 100.8 | 75% | 0.751 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.4 | -41.9 | 171.2 | -89.6 | -175.6 | 173.9 | 170.4 | -0.8 | 112 | A52 L54 H59 L60 | A52-R56 WeakPolarHBondContact O-CB 3.4Å; A52-R56 PolarHBondContact O-N 3.36Å; L54-R56 PolarHBondContact O-N 2.84Å; R56-H59 PolarHBondContact O-N 2.82Å; R56-L60 VanDerWaalsContact O-CG 3.27Å; R56-L60 WeakPolarHBondContact O-CG 3.47Å; R56-L60 PolarHBondContact O-N 2.84Å |
| 57 | R | 69.6 | Low | 62.6 | Low | 182 Ų | 182 | 102.3 Ų | 102.3 | 69% | 0.687 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.4 | -41.6 | -179.4 | -171 | 173.6 | -175.8 | 177.5 | 1.1 | 111.5 | S53 L54 L60 C61 | S53-R57 WeakPolarHBondContact O-CB 3.27Å; S53-R57 PolarHBondContact O-N 2.8Å; L54-R57 PolarHBondContact O-N 3.45Å; R57-L60 PolarHBondContact O-N 2.99Å; R57-C61 WeakPolarHBondContact O-CB 3.39Å; R57-C61 PolarHBondContact O-N 3.23Å; R57-C61 PolarHBondContact O-SG 2.91Å |
| 58 | T | 67.5 | Low | 61.9 | Low | 75 Ų | 75 | 105.7 Ų | 105.7 | 46% | 0.46 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.2 | -43.2 | 175 | 54.3 | 0 | 0 | 0 | 0 | 110.9 | L54 L55 L60 C61 S62 | L54-T58 WeakPolarHBondContact O-CG2 3.29Å; L54-T58 PolarHBondContact O-N 3.5Å; L54-T58 PolarHBondContact O-OG1 2.9Å; L55-T58 WeakPolarHBondContact CA-OG1 3.25Å; L55-T58 PolarHBondContact O-OG1 3.34Å; T58-L60 PolarHBondContact O-N 3.47Å; T58-C61 PolarHBondContact O-N 3.46Å; T58-S62 WeakPolarHBondContact O-CB 3.39Å; T58-S62 PolarHBondContact O-N 3.07Å; T58-S62 PolarHBondContact O-OG 3.29Å |
| 59 | H | 60 | Low | 61.2 | Low | 123 Ų | 123 | 110.5 Ų | 110.5 | 57% | 0.569 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.4 | -42 | 176.3 | -163.8 | -91 | 0 | 0 | 0 | 112.9 | L55 R56 S62 L63 | L55-H59 WeakPolarHBondContact O-CB 3.21Å; L55-H59 PolarHBondContact O-N 2.87Å; L55-H59 VanDerWaalsContact O-N 3.1Å; R56-H59 PolarHBondContact O-N 2.82Å; H59-S62 PolarHBondContact O-N 3.13Å; H59-L63 WeakPolarHBondContact O-CG 3.49Å; H59-L63 PolarHBondContact O-N 3.04Å; H59-L63 VanDerWaalsContact O-N 3.13Å |
| 60 | L | 58 | Low | 60.8 | Low | 116 Ų | 116 | 113 Ų | 113 | 61% | 0.607 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.7 | -36.6 | 176.7 | -67.9 | 172.5 | 0 | 0 | 0 | 112.4 | R56 R57 T58 S62 L63 S64 | R56-L60 VanDerWaalsContact O-CG 3.27Å; R56-L60 WeakPolarHBondContact O-CG 3.47Å; R56-L60 PolarHBondContact O-N 2.84Å; R57-L60 PolarHBondContact O-N 2.99Å; T58-L60 PolarHBondContact O-N 3.47Å; L60-S62 VanDerWaalsContact C-N 3.35Å; L60-L63 PolarHBondContact O-N 2.92Å; L60-S64 WeakPolarHBondContact O-CB 3.36Å; L60-S64 PolarHBondContact O-N 2.86Å |
| 61 | C | 56.4 | Low | 59.9 | Low | 74 Ų | 74 | 118.2 Ų | 118.2 | 50% | 0.5 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69.3 | -31.2 | 174.4 | -70.8 | 0 | 0 | 0 | 0 | 112.7 | R57 T58 | R57-C61 WeakPolarHBondContact O-CB 3.39Å; R57-C61 PolarHBondContact O-N 3.23Å; R57-C61 PolarHBondContact O-SG 2.91Å; T58-C61 PolarHBondContact O-N 3.46Å |
| 62 | S | 54.8 | Low | 59.2 | Low | 88 Ų | 88 | 118 Ų | 118 | 62% | 0.615 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.9 | -36.7 | 173.5 | -61.4 | 0 | 0 | 0 | 0 | 112.4 | T58 H59 L60 | T58-S62 WeakPolarHBondContact O-CB 3.39Å; T58-S62 PolarHBondContact O-N 3.07Å; T58-S62 PolarHBondContact O-OG 3.29Å; H59-S62 PolarHBondContact O-N 3.13Å; L60-S62 VanDerWaalsContact C-N 3.35Å |
| 63 | L | 54.7 | Low | 58.6 | Low | 97 Ų | 97 | 122 Ų | 122 | 51% | 0.508 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -77.1 | -31.2 | 175.4 | -67.3 | 174.5 | 0 | 0 | 0 | 112.9 | H59 L60 K65 S66 | H59-L63 WeakPolarHBondContact O-CG 3.49Å; H59-L63 PolarHBondContact O-N 3.04Å; H59-L63 VanDerWaalsContact O-N 3.13Å; L60-L63 PolarHBondContact O-N 2.92Å; L63-K65 PolarHBondContact O-N 3.47Å; L63-S66 PolarHBondContact O-OG 3.46Å |
| 64 | S | 52.7 | Low | 57.7 | Low | 92 Ų | 92 | 126.9 Ų | 126.9 | 64% | 0.643 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -12.2 | -178.6 | -179.1 | 0 | 0 | 0 | 0 | 114 | L60 | L60-S64 WeakPolarHBondContact O-CB 3.36Å; L60-S64 PolarHBondContact O-N 2.86Å |
| 65 | K | 55.5 | Low | 56.5 | Low | 188 Ų | 188 | 133.4 Ų | 133.4 | 82% | 0.817 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -7.4 | -173.7 | -128.5 | 170.8 | -177.1 | 166.9 | 0 | 114.5 | L63 | L63-K65 PolarHBondContact O-N 3.47Š|
| 66 | S | 56.2 | Low | 55.5 | Low | 86 Ų | 86 | 130.8 Ų | 130.8 | 60% | 0.601 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -97.9 | -5.2 | 177.4 | 49 | 0 | 0 | 0 | 0 | 114.3 | L63 | L63-S66 PolarHBondContact O-OG 3.46Š|
| 67 | D | 58 | Low | 54.9 | Low | 99 Ų | 99 | 127.4 Ų | 127.4 | 53% | 0.529 | 66% | 0.66 | S | S | . | * | | | trans | -109.8 | 20.8 | -161.1 | -126.3 | 6.1 | 0 | 0 | 0 | 116.4 | R69 L70 | D67-R69 PolarHBondContact O-N 3.33Å; D67-L70 WeakPolarHBondContact OD1-CD1 3.44Å; D67-L70 WeakPolarHBondContact OD1-CG 3.3Å |
| 68 | T | 53.7 | Low | 54 | Low | 125 Ų | 125 | 130.6 Ų | 130.6 | 77% | 0.767 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 4.3 | 171.8 | 58.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 69 | R | 51.8 | Low | 53 | Low | 192 Ų | 192 | 133.1 Ų | 133.1 | 73% | 0.725 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | 3.6 | -176.9 | -126.8 | -171.9 | 176.7 | -159.1 | 1.3 | 116 | D67 E72 | D67-R69 PolarHBondContact O-N 3.33Å; R69-E72 IonicContact NE-OE2 3.77Å |
| 70 | L | 54.4 | Low | 52.2 | Low | 111 Ų | 111 | 132 Ų | 132 | 58% | 0.581 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -87.3 | -13 | 174.5 | -75.1 | -176.5 | 0 | 0 | 0 | 114.4 | D67 | D67-L70 WeakPolarHBondContact OD1-CD1 3.44Å; D67-L70 WeakPolarHBondContact OD1-CG 3.3Å |
| 71 | H | 49.8 | Very low | 51.9 | Low | 155 Ų | 155 | 137.6 Ų | 137.6 | 72% | 0.718 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -77.5 | -24.6 | 175.3 | 125.1 | 31.6 | 0 | 0 | 0 | 112.3 | L73 | H71-L73 VanDerWaalsContact C-N 3.3Å; H71-L73 PolarHBondContact O-N 3.4Å |
| 72 | E | 53.8 | Low | 51.9 | Low | 127 Ų | 127 | 139 Ų | 139 | 59% | 0.593 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -75.3 | -15.6 | -173.9 | -71.8 | -176.9 | 152.6 | 0 | 0 | 113.7 | R69 | R69-E72 IonicContact NE-OE2 3.77Š|
| 73 | L | 55.8 | Low | 52 | Low | 139 Ų | 139 | 142 Ų | 142 | 73% | 0.728 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -84.9 | -4.3 | -178.1 | -78.2 | 162.9 | 0 | 0 | 0 | 114.9 | H71 | H71-L73 VanDerWaalsContact C-N 3.3Å; H71-L73 PolarHBondContact O-N 3.4Å |
| 74 | H | 46.9 | Very low | 52.1 | Low | 172 Ų | 172 | 148.1 Ų | 148.1 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -111.3 | 13.1 | -173.9 | -101.8 | -68.2 | 0 | 0 | 0 | 116.4 | | |
| 75 | R | 45.3 | Very low | 52.1 | Low | 243 Ų | 243 | 148.2 Ų | 148.2 | 92% | 0.917 | 75% | 0.751 | S | S | * | * | | | trans | -107.1 | 62.8 | 168.2 | -72.1 | -145.5 | 174.8 | 161.7 | 1.1 | 112.5 | | |
| 76 | G | 44.9 | Very low | 52.2 | Low | 64 Ų | 64 | 144.3 Ų | 144.3 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | | | trans | -92.6 | 144.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 77 | P | 52.3 | Low | 52.3 | Low | 128 Ų | 128 | 144.8 Ų | 144.8 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | | | trans | -81.8 | 129.7 | -174.7 | 1.2 | 17 | 0 | 0 | 0 | 112.1 | | |
| 78 | R | 51.9 | Low | 52 | Low | 249 Ų | 249 | 147.4 Ų | 147.4 | 94% | 0.94 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 59.3 | 140.8 | 159.6 | -79.3 | -176.7 | 169.2 | -158.2 | -2.1 | 118.7 | | |
| 79 | S | 45.1 | Very low | 52.4 | Low | 127 Ų | 127 | 148.5 Ų | 148.5 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | | | trans | 87.2 | 94.6 | 163 | -161.2 | 0 | 0 | 0 | 0 | 116.5 | | |
| 80 | S | 43.6 | Very low | 52.7 | Low | 100 Ų | 100 | 147.1 Ų | 147.1 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | | | | -162.8 | 112.9 | 127.3 | -171.1 | 0 | 0 | 0 | 0 | 108.9 | A82 | S80-A82 PolarHBondContact O-N 2.83Š|
| 81 | R | 51.5 | Low | 52.7 | Low | 233 Ų | 233 | 149.9 Ų | 149.9 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | trans | -50.7 | 130.2 | 164.6 | -141.3 | 175.3 | -158.1 | -164.7 | 3.8 | 106.9 | L83 | R81-L83 PolarHBondContact O-N 2.92Š|
| 82 | A | 57.5 | Low | 52.4 | Low | 103 Ų | 103 | 153.5 Ų | 153.5 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | | | trans | -54.3 | 95.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S80 R84 | S80-A82 PolarHBondContact O-N 2.83Å; A82-R84 PolarHBondContact O-N 3.48Å |
| 83 | L | 55.9 | Low | 52.2 | Low | 151 Ų | 151 | 152 Ų | 152 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | trans | -79.2 | 104.9 | 166.1 | -83.7 | 118.8 | 0 | 0 | 0 | 106.5 | R81 | R81-L83 PolarHBondContact O-N 2.92Š|
| 84 | R | 58.4 | Low | 51.6 | Low | 227 Ų | 227 | 153.6 Ų | 153.6 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | | | trans | -59 | 140.4 | 165.4 | -79.8 | -160.2 | -170.6 | 141.5 | 0.1 | 108.8 | A82 A86 | A82-R84 PolarHBondContact O-N 3.48Å; R84-A86 PolarHBondContact O-N 3.39Å |
| 85 | P | 52 | Low | 51.5 | Low | 94 Ų | 94 | 156.3 Ų | 156.3 | 61% | 0.61 | 81% | 0.805 | S | S | * | * | | | trans | -59.7 | 131 | 172.1 | -19.6 | 30.7 | 0 | 0 | 0 | 110.6 | S87 | P85-S87 PolarHBondContact O-N 3.34Š|
| 86 | A | 56.6 | Low | 51.5 | Low | 105 Ų | 105 | 152.3 Ų | 152.3 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 27.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | R84 | R84-A86 PolarHBondContact O-N 3.39Š|
| 87 | S | 60.2 | Low | 51.4 | Low | 96 Ų | 96 | 158.4 Ų | 158.4 | 67% | 0.671 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 7.8 | 178.5 | 58.9 | 0 | 0 | 0 | 0 | 113.3 | P85 | P85-S87 PolarHBondContact O-N 3.34Š|
| 88 | M | 50.2 | Low | 50.8 | Low | 155 Ų | 155 | 159 Ų | 159 | 76% | 0.764 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -100.7 | 5.7 | 176.4 | -77.9 | -91.2 | 55 | 0 | 0 | 114.9 | | |
| 89 | D | 63.2 | Low | 50 | Low | 147 Ų | 147 | 151.5 Ų | 151.5 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | | | trans | -107 | 36.2 | -178.1 | -73.9 | -26 | 0 | 0 | 0 | 113.9 | | |
| 90 | L | 57.5 | Low | 49.7 | Very low | 163 Ų | 163 | 156 Ų | 156 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | trans | -127.6 | 87.7 | 166.5 | -71.1 | 174.6 | 0 | 0 | 0 | 109.5 | | |
| 91 | L | 54.1 | Low | 49.2 | Very low | 170 Ų | 170 | 158.3 Ų | 158.3 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | | | trans | 176.4 | 70.2 | 142.3 | -90.8 | 165.3 | 0 | 0 | 0 | 107.8 | P93 | L91-P93 WeakPolarHBondContact O-CD 3.45Š|
| 92 | R | 43.5 | Very low | 48.7 | Very low | 231 Ų | 231 | 155.4 Ų | 155.4 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | | | trans | -105 | 95.3 | 161.3 | -166.2 | 173.5 | -166.5 | -178.9 | 2.2 | 107.7 | H94 | R92-H94 PolarHBondContact O-N 2.8Å; R92-H94 VanDerWaalsContact O-N 3.07Å |
| 93 | P | 50.2 | Low | 47.8 | Very low | 94 Ų | 94 | 157.1 Ų | 157.1 | 61% | 0.61 | 80% | 0.801 | S | S | * | * | | | trans | -70.8 | 105.5 | 170 | 27.6 | -29.6 | 0 | 0 | 0 | 108 | L91 W95 | L91-P93 WeakPolarHBondContact O-CD 3.45Å; P93-W95 PolarHBondContact O-N 3.12Å |
| 94 | H | 43.4 | Very low | 46.7 | Very low | 173 Ų | 173 | 153 Ų | 153 | 80% | 0.801 | 80% | 0.795 | S | S | * | * | | | trans | -74.8 | 79.9 | 167.1 | 62.2 | -76.2 | 0 | 0 | 0 | 107.4 | R92 | R92-H94 PolarHBondContact O-N 2.8Å; R92-H94 VanDerWaalsContact O-N 3.07Å |
| 95 | W | 43.3 | Very low | 46 | Very low | 230 Ų | 230 | 148.1 Ų | 148.1 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | | | trans | -69.9 | 130.4 | 160.5 | -82.2 | 86 | 0 | 0 | 0 | 107.3 | P93 | P93-W95 PolarHBondContact O-N 3.12Š|
| 96 | L | 46.3 | Very low | 45.4 | Very low | 159 Ų | 159 | 152.9 Ų | 152.9 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | | | trans | 91.3 | 78.7 | 161.6 | -133.6 | 92.1 | 0 | 0 | 0 | 117.1 | | |
| 97 | E | 43.4 | Very low | 44.2 | Very low | 192 Ų | 192 | 152.8 Ų | 152.8 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | | | trans | -150.1 | 75.2 | 143.4 | -147.2 | 116.6 | -142.3 | 0 | 0 | 109.7 | S99 | E97-S99 PolarHBondContact O-N 3.01Š|
| 98 | V | 38.1 | Very low | 43.1 | Very low | 141 Ų | 141 | 152.7 Ų | 152.7 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | | | trans | -72.9 | 110.8 | 158.9 | 165.9 | 0 | 0 | 0 | 0 | 106.5 | | |
| 99 | S | 35.5 | Very low | 43 | Very low | 90 Ų | 90 | 151.3 Ų | 151.3 | 63% | 0.629 | 81% | 0.813 | S | S | * | * | | | trans | -171.7 | 117 | 142.2 | -87.1 | 0 | 0 | 0 | 0 | 112.5 | E97 | E97-S99 PolarHBondContact O-N 3.01Š|
| 100 | R | 38.6 | Very low | 41.5 | Very low | 221 Ų | 221 | 149.7 Ų | 149.7 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | | | trans | 53.4 | 113.9 | 133.7 | -63.5 | 177 | 173.4 | 148.2 | -1.3 | 117.3 | | |
| 101 | D | 34.1 | Very low | 40.2 | Very low | 150 Ų | 150 | 146.3 Ų | 146.3 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | | | | -173.3 | 95.7 | 113.1 | -82.4 | -23.7 | 0 | 0 | 0 | 110.1 | | |
| 102 | I | 41 | Very low | 39.5 | Very low | 172 Ų | 172 | 148 Ų | 148 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | | | trans | -119.8 | 107.1 | 154.8 | -61.6 | -179.5 | 0 | 0 | 0 | 105.5 | | |
| 103 | T | 38.8 | Very low | 39.9 | Very low | 139 Ų | 139 | 142 Ų | 142 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | -80.7 | 119.3 | 175.2 | -58.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 104 | G | 32.4 | Very low | 39 | Very low | 63 Ų | 63 | 146.2 Ų | 146.2 | 65% | 0.649 | 81% | 0.812 | S | S | * | * | | | trans | 123.3 | 148.4 | 140.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 105 | P | 43.8 | Very low | 38.5 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | cis | -128.5 | 159.2 | -34.2 | 34.9 | -18.3 | 0 | 0 | 0 | 113.8 | | |
| 106 | Q | 39.1 | Very low | 38 | Very low | 194 Ų | 194 | 143.5 Ų | 143.5 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | | | trans | 11.8 | 121.9 | 157.3 | -72 | -134 | 46.6 | 0 | 0 | 121.6 | | |
| 107 | A | 32.4 | Very low | 37.9 | Very low | 102 Ų | 102 | 143.3 Ų | 143.3 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | | -172 | 135.9 | 117.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 108 | A | 36.9 | Very low | 37.9 | Very low | 94 Ų | 94 | 140.1 Ų | 140.1 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | | | trans | -118.7 | 179.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 109 | P | 48 | Very low | 37.8 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | cis | -126.9 | -178.4 | -24.8 | 33.5 | -14.8 | 0 | 0 | 0 | 111.2 | | |
| 110 | S | 32.2 | Very low | 37.4 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | | | trans | 153.9 | 105.6 | 149.5 | -178.5 | 0 | 0 | 0 | 0 | 111 | | |
| 111 | A | 30.1 | Very low | 37.4 | Very low | 92 Ų | 92 | 141.6 Ų | 141.6 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | | | | 73 | 107.8 | 100.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 112 | F | 37.9 | Very low | 37.9 | Very low | 206 Ų | 206 | 140 Ų | 140 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | | | trans | -61.4 | 174.4 | 160.4 | -57.9 | -89.2 | 0 | 0 | 0 | 110.6 | | |
| 113 | P | 52.1 | Low | 37.4 | Very low | 106 Ų | 106 | 136 Ų | 136 | 69% | 0.688 | 80% | 0.803 | S | S | * | * | | | cis | -143.1 | -166.9 | 2.5 | 35.6 | -11.3 | 0 | 0 | 0 | 115.3 | | |
| 114 | H | 31.9 | Very low | 37.1 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | 63.8 | 121 | 145.6 | -92.4 | -72.5 | 0 | 0 | 0 | 122.3 | | |
| 115 | Q | 32.8 | Very low | 37.2 | Very low | 177 Ų | 177 | 135.9 Ų | 135.9 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | | | trans | -149.5 | 96.4 | 151.2 | -152.9 | 166.8 | 43.6 | 0 | 0 | 107.8 | | |
| 116 | E | 33.5 | Very low | 36.8 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | | 87.3 | 119.9 | 89.7 | -99.6 | -172.8 | 138 | 0 | 0 | 113.6 | | |
| 117 | L | 43.1 | Very low | 36.6 | Very low | 154 Ų | 154 | 132 Ų | 132 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | | | trans | -106.7 | 139.4 | 172 | 178.3 | 123.9 | 0 | 0 | 0 | 107.7 | | |
| 118 | P | 44.8 | Very low | 36.8 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | | | trans | -126.2 | 97.7 | 152.7 | 7.7 | 14.8 | 0 | 0 | 0 | 113.2 | | |
| 119 | R | 34.3 | Very low | 36.5 | Very low | 226 Ų | 226 | 130.3 Ų | 130.3 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | | | | 20.5 | 121.4 | 126.9 | -177.2 | 163.8 | -88.6 | 154 | -6.6 | 119.1 | | |
| 120 | A | 28.2 | Very low | 35.8 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | -150.9 | 122.7 | 136.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 121 | L | 38.4 | Very low | 36.1 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | | | trans | -128.3 | 136.4 | 167 | -179.8 | 73.5 | 0 | 0 | 0 | 107 | | |
| 122 | P | 43.9 | Very low | 36.4 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | | | | -126 | 125.2 | 125 | 16.6 | 2.3 | 0 | 0 | 0 | 109.8 | | |
| 123 | A | 31.5 | Very low | 36.7 | Very low | 86 Ų | 86 | 127 Ų | 127 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | | | | 59.4 | 120.4 | 102.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 124 | A | 32 | Very low | 36.6 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | cis | -163.3 | 159.2 | 22.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 125 | A | 33.8 | Very low | 37.2 | Very low | 105 Ų | 105 | 126.3 Ų | 126.3 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | | | trans | 58.6 | 115.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 126 | A | 36.5 | Very low | 38.1 | Very low | 96 Ų | 96 | 123.6 Ų | 123.6 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | | | cis | -147.7 | 127.2 | 26.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 127 | T | 34.4 | Very low | 38.7 | Very low | 142 Ų | 142 | 126.2 Ų | 126.2 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | | | trans | -47 | 150.3 | 148.3 | 32 | 0 | 0 | 0 | 0 | 110.2 | | |
| 128 | A | 37 | Very low | 39.1 | Very low | 97 Ų | 97 | 124.2 Ų | 124.2 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | | | cis | -178.2 | 145.4 | -6.5 | 0 | 0 | 0 | 0 | 0 | 102.6 | | |
| 129 | G | 29.3 | Very low | 39.5 | Very low | 65 Ų | 65 | 126.1 Ų | 126.1 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | | | cis | -171.5 | -177.4 | 2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 130 | C | 35 | Very low | 40.2 | Very low | 129 Ų | 129 | 122.3 Ų | 122.3 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | | | trans | 56 | 90.1 | 153.2 | -57.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 131 | A | 38.3 | Very low | 41.3 | Very low | 105 Ų | 105 | 120.7 Ų | 120.7 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | | | | -28.2 | 143.3 | 122.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 132 | G | 35.5 | Very low | 41.6 | Very low | 63 Ų | 63 | 121.4 Ų | 121.4 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | | | cis | 179.6 | 163.9 | 0.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | | |
| 133 | L | 44.4 | Very low | 41.6 | Very low | 171 Ų | 171 | 120.6 Ų | 120.6 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | | | trans | -150.2 | 113.8 | 144.1 | -136.4 | 99.7 | 0 | 0 | 0 | 108.1 | A135 | L133-A135 PolarHBondContact O-N 3.3Š|
| 134 | E | 49.4 | Very low | 42.2 | Very low | 181 Ų | 181 | 120.9 Ų | 120.9 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | | | trans | -35.8 | 112.3 | 164.6 | -156.2 | 80.1 | 155.5 | 0 | 0 | 111.6 | | |
| 135 | A | 44.7 | Very low | 42.8 | Very low | 92 Ų | 92 | 123.9 Ų | 123.9 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | | | trans | -146.3 | 81.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | L133 | L133-A135 PolarHBondContact O-N 3.3Š|
| 136 | T | 53.3 | Low | 43.3 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 73% | 0.73 | 81% | 0.81 | S | S | * | * | | | trans | -5.5 | 118 | 142.8 | -49.8 | 0 | 0 | 0 | 0 | 115 | | |
| 137 | Y | 44.8 | Very low | 43.6 | Very low | 224 Ų | 224 | 123.7 Ų | 123.7 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 53.9 | 104.2 | 158.2 | -80.5 | -103 | 0 | 0 | 0 | 118.2 | | |
| 138 | S | 51.5 | Low | 43.6 | Very low | 112 Ų | 112 | 124 Ų | 124 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | | | | 155.1 | 75.6 | 125.3 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 139 | N | 53.1 | Low | 44 | Very low | 166 Ų | 166 | 124.8 Ų | 124.8 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | | | trans | -83.6 | 107.3 | 155.2 | -65.9 | -51.2 | 0 | 0 | 0 | 107.2 | | |
| 140 | V | 49.6 | Very low | 44.5 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | | | trans | -168 | 117 | 131.3 | -176 | 0 | 0 | 0 | 0 | 107.3 | | |
| 141 | G | 52.1 | Low | 45.1 | Very low | 68 Ų | 68 | 128.4 Ų | 128.4 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | S | Bend | trans | 126.5 | 104.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 142 | L | 44.3 | Very low | 45.1 | Very low | 172 Ų | 172 | 127.8 Ų | 127.8 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | | | trans | 98.1 | 63.1 | 161.5 | -55.6 | 160.8 | 0 | 0 | 0 | 117 | | |
| 143 | A | 42.6 | Very low | 45.5 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -83.2 | 95.4 | 140.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | L145 | A143-L145 PolarHBondContact O-N 3.34Š|
| 144 | A | 44.7 | Very low | 45.4 | Very low | 93 Ų | 93 | 127.2 Ų | 127.2 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | | | trans | -76.2 | 103.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 145 | L | 45.3 | Very low | 45.3 | Very low | 158 Ų | 158 | 125.3 Ų | 125.3 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | | | trans | -73.7 | 140.2 | 166.4 | -69 | 172.9 | 0 | 0 | 0 | 109.4 | A143 | A143-L145 PolarHBondContact O-N 3.34Š|
| 146 | P | 43.8 | Very low | 45.4 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | | | trans | -82.6 | 132.5 | -177.1 | 32.5 | -30.9 | 0 | 0 | 0 | 111.2 | | |
| 147 | G | 43.3 | Very low | 45.3 | Very low | 72 Ų | 72 | 124.4 Ų | 124.4 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | | | trans | 99.9 | 105.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 148 | V | 34.5 | Very low | 45.4 | Very low | 149 Ų | 149 | 121.2 Ų | 121.2 | 90% | 0.903 | 80% | 0.795 | S | S | * | * | | | | -157.6 | 129.6 | 110.4 | 179.4 | 0 | 0 | 0 | 0 | 107.3 | | |
| 149 | S | 45.5 | Very low | 45 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | | | trans | -64.7 | 128.3 | 180 | -165.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 150 | L | 40.1 | Very low | 45.1 | Very low | 170 Ų | 170 | 122.1 Ų | 122.1 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | | | trans | -138.8 | 118.4 | 154.9 | -142.3 | 88.2 | 0 | 0 | 0 | 109.4 | A152 | L150-A152 PolarHBondContact O-N 2.91Š|
| 151 | A | 46.9 | Very low | 44.9 | Very low | 101 Ų | 101 | 125.6 Ų | 125.6 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | | | trans | -58.2 | 118.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 152 | A | 38.3 | Very low | 45 | Very low | 92 Ų | 92 | 128.7 Ų | 128.7 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | trans | -150.6 | 101.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | L150 P154 | L150-A152 PolarHBondContact O-N 2.91Å; A152-P154 WeakPolarHBondContact O-CD 3.39Å |
| 153 | S | 43.7 | Very low | 45.7 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | -54.1 | 121.8 | 177.5 | -158 | 0 | 0 | 0 | 0 | 110 | V155 | S153-V155 PolarHBondContact O-N 3.43Å; S153-V155 VanDerWaalsContact O-N 3.1Å |
| 154 | P | 42.8 | Very low | 46.2 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | | | trans | -73.5 | 106.2 | 173.9 | 28.5 | -30.2 | 0 | 0 | 0 | 108 | A152 V156 | A152-P154 WeakPolarHBondContact O-CD 3.39Å; P154-V156 VanDerWaalsContact C-N 3.3Å; P154-V156 PolarHBondContact O-N 2.93Å |
| 155 | V | 46 | Very low | 46.8 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | | | trans | -60.5 | 100.1 | 163.2 | 170.4 | 0 | 0 | 0 | 0 | 106.8 | S153 A157 | S153-V155 PolarHBondContact O-N 3.43Å; S153-V155 VanDerWaalsContact O-N 3.1Å; V155-A157 PolarHBondContact O-N 2.87Å |
| 156 | V | 48.4 | Very low | 47.1 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | | | trans | -59.8 | 123.4 | 175.6 | 173.5 | 0 | 0 | 0 | 0 | 108.1 | P154 E158 | P154-V156 VanDerWaalsContact C-N 3.3Å; P154-V156 PolarHBondContact O-N 2.93Å; V156-E158 PolarHBondContact O-N 3.41Å |
| 157 | A | 49.6 | Very low | 47.3 | Very low | 71 Ų | 71 | 139.3 Ų | 139.3 | 59% | 0.587 | 79% | 0.793 | S | S | * | * | | | trans | -64.4 | 99.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | V155 Y159 | V155-A157 PolarHBondContact O-N 2.87Å; A157-Y159 VanDerWaalsContact C-N 3.31Å; A157-Y159 HydrophobicContact CB-CD2 3.82Å; A157-Y159 HydrophobicContact CB-CE2 3.74Å; A157-Y159 PolarHBondContact O-N 2.87Å |
| 158 | E | 48 | Very low | 47.2 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | | | trans | -78.4 | 81.6 | 174.1 | -161 | 175.9 | -172.8 | 0 | 0 | 109.4 | V156 R161 | V156-E158 PolarHBondContact O-N 3.41Å; E158-R161 IonicContact OE1-NH1 3.98Å |
| 159 | Y | 43.2 | Very low | 47.8 | Very low | 210 Ų | 210 | 143.6 Ų | 143.6 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | trans | -77.5 | 126.8 | 168.7 | -80.4 | -89.7 | 0 | 0 | 0 | 110.4 | A157 | A157-Y159 VanDerWaalsContact C-N 3.31Å; A157-Y159 HydrophobicContact CB-CD2 3.82Å; A157-Y159 HydrophobicContact CB-CE2 3.74Å; A157-Y159 PolarHBondContact O-N 2.87Å |
| 160 | A | 53.8 | Low | 47.3 | Very low | 87 Ų | 87 | 149.8 Ų | 149.8 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | | | trans | 60.9 | 97.2 | 152.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 161 | R | 46.7 | Very low | 47.2 | Very low | 217 Ų | 217 | 146.1 Ų | 146.1 | 82% | 0.819 | 79% | 0.788 | S | S | * | * | | | trans | -113 | 101.5 | 149.4 | -73.5 | -175.4 | 173.7 | 158.5 | -1.6 | 109.8 | E158 Q163 | E158-R161 IonicContact OE1-NH1 3.98Å; R161-Q163 PolarHBondContact O-N 3.31Å |
| 162 | V | 53.6 | Low | 47.1 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | trans | -82.8 | 102.6 | 168.7 | 178.8 | 0 | 0 | 0 | 0 | 107.9 | K164 | V162-K164 PolarHBondContact O-N 3.31Š|
| 163 | Q | 58.1 | Low | 47 | Very low | 166 Ų | 166 | 151.1 Ų | 151.1 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | -78.6 | 104.7 | 167.7 | -81.5 | -175.8 | 11.8 | 0 | 0 | 109.4 | R161 R165 | R161-Q163 PolarHBondContact O-N 3.31Å; Q163-R165 PolarHBondContact O-N 3.39Å; Q163-R165 VanDerWaalsContact O-N 3.13Å |
| 164 | K | 53.7 | Low | 46.7 | Very low | 200 Ų | 200 | 153.7 Ų | 153.7 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | | | trans | -72.4 | 101.9 | 170.7 | -155 | -163.5 | -173.5 | -169.4 | 0 | 108.7 | V162 K166 | V162-K164 PolarHBondContact O-N 3.31Å; K164-K166 PolarHBondContact O-N 2.9Å |
| 165 | R | 57.1 | Low | 46.7 | Very low | 227 Ų | 227 | 153.5 Ų | 153.5 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 119.9 | 170.8 | -75.9 | -170.2 | 170.5 | -164.7 | -2.2 | 109.4 | Q163 | Q163-R165 PolarHBondContact O-N 3.39Å; Q163-R165 VanDerWaalsContact O-N 3.13Å |
| 166 | K | 51.3 | Low | 46.3 | Very low | 199 Ų | 199 | 154.2 Ų | 154.2 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 123 | 173.9 | -167.6 | 178.3 | -178.6 | -162 | 0 | 108.1 | K164 T168 | K164-K166 PolarHBondContact O-N 2.9Å; K166-T168 PolarHBondContact O-N 3.39Å |
| 167 | G | 48.2 | Very low | 46 | Very low | 77 Ų | 77 | 156.9 Ų | 156.9 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 127.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 168 | T | 41.4 | Very low | 45.6 | Very low | 133 Ų | 133 | 157 Ų | 157 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | | | trans | -116.4 | 114.4 | 166.6 | -60 | 0 | 0 | 0 | 0 | 107.7 | K166 R170 | K166-T168 PolarHBondContact O-N 3.39Å; T168-R170 PolarHBondContact O-N 3.27Å |
| 169 | H | 47.2 | Very low | 45.3 | Very low | 179 Ų | 179 | 159.3 Ų | 159.3 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | | | trans | -60.7 | 120.2 | 171.6 | 168.7 | -86.7 | 0 | 0 | 0 | 110.7 | | |
| 170 | R | 34.7 | Very low | 45.4 | Very low | 241 Ų | 241 | 155.6 Ų | 155.6 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | | | trans | -158 | 101.1 | 154.3 | -134.7 | 178.3 | -175.8 | 176.3 | 1.2 | 111 | T168 | T168-R170 PolarHBondContact O-N 3.27Š|
| 171 | S | 37.6 | Very low | 45.2 | Very low | 94 Ų | 94 | 160 Ų | 160 | 66% | 0.657 | 81% | 0.806 | S | S | * | * | | | trans | -70.6 | 158 | 149.3 | -159.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 172 | P | 46.8 | Very low | 45.7 | Very low | 111 Ų | 111 | 153.3 Ų | 153.3 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | | | cis | -151.9 | 173.9 | 41.6 | 39 | -15.2 | 0 | 0 | 0 | 119.6 | | |
| 173 | Q | 35.1 | Very low | 45.8 | Very low | 187 Ų | 187 | 151.3 Ų | 151.3 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | | | trans | 112.9 | 104.9 | 154 | -68.4 | -175.6 | -13 | 0 | 0 | 118.4 | | |
| 174 | E | 36.5 | Very low | 45.9 | Very low | 165 Ų | 165 | 148 Ų | 148 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | | | trans | -63.5 | 159.7 | 148.5 | -126.8 | -151.5 | 119.6 | 0 | 0 | 110.4 | Q176 | E174-Q176 PolarHBondContact OE1-N 3.44Š|
| 175 | P | 43 | Very low | 45.9 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | | | | -147.3 | 156.6 | 62.4 | 35.9 | -15 | 0 | 0 | 0 | 117.8 | | |
| 176 | Q | 38.7 | Very low | 46.2 | Very low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | | | trans | 65.8 | 144 | 151.1 | -71.7 | -173.7 | 52.6 | 0 | 0 | 119.5 | E174 | E174-Q176 PolarHBondContact OE1-N 3.44Š|
| 177 | Q | 41.8 | Very low | 46.7 | Very low | 176 Ų | 176 | 129.6 Ų | 129.6 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | | | cis | -172.5 | 138 | -18.1 | -166.9 | 165.9 | 12.1 | 0 | 0 | 104.6 | | |
| 178 | G | 41.7 | Very low | 47.8 | Very low | 75 Ų | 75 | 129.5 Ų | 129.5 | 77% | 0.773 | 70% | 0.703 | S | S | * | * | | | trans | 87 | 58.4 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 179 | K | 41.3 | Very low | 48.9 | Very low | 205 Ų | 205 | 128.7 Ų | 128.7 | 89% | 0.891 | 69% | 0.694 | S | S | * | * | | | trans | -151 | 93.2 | 143.4 | -149.8 | 167.1 | -175.3 | 177.2 | 0 | 108.8 | E181 | K179-E181 VanDerWaalsContact C-N 3.31Å; K179-E181 PolarHBondContact O-N 3.26Å |
| 180 | T | 44.6 | Very low | 49.9 | Very low | 132 Ų | 132 | 123.6 Ų | 123.6 | 81% | 0.81 | 68% | 0.675 | S | S | * | * | | | trans | -67.1 | 91 | -178.7 | -50.4 | 0 | 0 | 0 | 0 | 109.2 | V182 | T180-V182 HydrophobicContact CG2-CG2 4.35Å; T180-V182 PolarHBondContact O-N 2.84Å; T180-V182 VanDerWaalsContact O-N 3.08Å |
| 181 | E | 50.3 | Low | 51.7 | Low | 181 Ų | 181 | 117.7 Ų | 117.7 | 85% | 0.846 | 66% | 0.661 | S | S | * | * | | | trans | -65.9 | 100.8 | 164.6 | -166.1 | 177.8 | -179.6 | 0 | 0 | 107.3 | K179 T183 | K179-E181 VanDerWaalsContact C-N 3.31Å; K179-E181 PolarHBondContact O-N 3.26Å; E181-T183 PolarHBondContact O-N 2.87Å |
| 182 | V | 57.8 | Low | 52.3 | Low | 75 Ų | 75 | 120.7 Ų | 120.7 | 46% | 0.455 | 66% | 0.659 | S | S | . | * | | | trans | -70.4 | 106.2 | -178.3 | 177.3 | 0 | 0 | 0 | 0 | 108 | T180 Q187 | T180-V182 HydrophobicContact CG2-CG2 4.35Å; T180-V182 PolarHBondContact O-N 2.84Å; T180-V182 VanDerWaalsContact O-N 3.08Å; V182-Q187 HydrophobicContact CG1-CB 4.04Å; V182-Q187 HydrophobicContact CG1-CG 3.97Å |
| 183 | T | 55.2 | Low | 53.1 | Low | 92 Ų | 92 | 118.6 Ų | 118.6 | 56% | 0.564 | 65% | 0.647 | S | S | * | * | | | trans | -55.9 | 131.9 | 171 | -42.2 | 0 | 0 | 0 | 0 | 108.9 | E181 A185 A186 Q187 | E181-T183 PolarHBondContact O-N 2.87Å; T183-A185 PolarHBondContact O-N 3.34Å; T183-A186 WeakPolarHBondContact O-CB 3.26Å; T183-A186 PolarHBondContact O-N 3.35Å; T183-Q187 PolarHBondContact O-N 3.43Å |
| 184 | P | 59.2 | Low | 54.4 | Low | 98 Ų | 98 | 119.1 Ų | 119.1 | 64% | 0.636 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -57.6 | -25.4 | -174.5 | 16.2 | -28.8 | 0 | 0 | 0 | 113.6 | Q187 V188 | P184-Q187 PolarHBondContact O-N 3.38Å; P184-V188 WeakPolarHBondContact O-CG2 3.46Å; P184-V188 PolarHBondContact O-N 3.35Å |
| 185 | A | 55 | Low | 55.4 | Low | 63 Ų | 63 | 116.9 Ų | 116.9 | 52% | 0.521 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -63.4 | -42.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T183 Q187 V188 D189 | T183-A185 PolarHBondContact O-N 3.34Å; A185-Q187 VanDerWaalsContact C-N 3.29Å; A185-Q187 PolarHBondContact O-N 2.9Å; A185-V188 PolarHBondContact O-N 3.45Å; A185-D189 PolarHBondContact O-N 3.3Å |
| 186 | A | 62.1 | Low | 55.9 | Low | 49 Ų | 49 | 116.3 Ų | 116.3 | 41% | 0.405 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -68.7 | -29.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T183 V190 | T183-A186 WeakPolarHBondContact O-CB 3.26Å; T183-A186 PolarHBondContact O-N 3.35Å; A186-V190 VanDerWaalsContact O-CG2 3.29Å; A186-V190 WeakPolarHBondContact O-CG2 3.37Å; A186-V190 PolarHBondContact O-N 2.92Å; A186-V190 VanDerWaalsContact O-N 3.16Å |
| 187 | Q | 63.5 | Low | 56.9 | Low | 126 Ų | 126 | 117.2 Ų | 117.2 | 59% | 0.589 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.4 | -35.3 | 177.7 | -134.2 | 177.1 | 66.9 | 0 | 0 | 112 | V182 T183 P184 A185 L191 | V182-Q187 HydrophobicContact CG1-CB 4.04Å; V182-Q187 HydrophobicContact CG1-CG 3.97Å; T183-Q187 PolarHBondContact O-N 3.43Å; P184-Q187 PolarHBondContact O-N 3.38Å; A185-Q187 VanDerWaalsContact C-N 3.29Å; A185-Q187 PolarHBondContact O-N 2.9Å; Q187-L191 PolarHBondContact O-N 3.02Å; Q187-L191 VanDerWaalsContact O-N 3.09Å |
| 188 | V | 69.7 | Low | 57.3 | Low | 75 Ų | 75 | 114.5 Ų | 114.5 | 46% | 0.455 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.3 | -42.1 | 177 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | P184 A185 V190 L191 Y192 | P184-V188 WeakPolarHBondContact O-CG2 3.46Å; P184-V188 PolarHBondContact O-N 3.35Å; A185-V188 PolarHBondContact O-N 3.45Å; V188-V190 PolarHBondContact O-N 2.94Å; V188-L191 WeakPolarHBondContact O-CB 3.29Å; V188-L191 PolarHBondContact O-N 3.48Å; V188-L191 VanDerWaalsContact O-N 3.11Å; V188-Y192 HydrophobicContact CG1-CD2 3.65Å; V188-Y192 HydrophobicContact CG1-CE2 3.63Å; V188-Y192 VanDerWaalsContact O-CD2 3.31Å; V188-Y192 WeakPolarHBondContact O-CD2 3.46Å; V188-Y192 PolarHBondContact O-N 3.33Å |
| 189 | D | 65.3 | Low | 57.7 | Low | 116 Ų | 116 | 120.4 Ų | 120.4 | 62% | 0.62 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.2 | -36.3 | 177.4 | -73 | -22.4 | 0 | 0 | 0 | 112.8 | A185 L191 S193 | A185-D189 PolarHBondContact O-N 3.3Å; D189-L191 VanDerWaalsContact C-N 3.31Å; D189-L191 PolarHBondContact O-N 2.95Å; D189-S193 WeakPolarHBondContact O-CB 3.27Å; D189-S193 PolarHBondContact O-N 3.49Å; D189-S193 PolarHBondContact O-OG 2.89Å |
| 190 | V | 68.8 | Low | 58.1 | Low | 73 Ų | 73 | 120 Ų | 120 | 44% | 0.442 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.8 | -35 | 172 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | A186 V188 S193 R194 | A186-V190 VanDerWaalsContact O-CG2 3.29Å; A186-V190 WeakPolarHBondContact O-CG2 3.37Å; A186-V190 PolarHBondContact O-N 2.92Å; A186-V190 VanDerWaalsContact O-N 3.16Å; V188-V190 PolarHBondContact O-N 2.94Å; V190-S193 WeakPolarHBondContact CA-OG 3.39Å; V190-S193 PolarHBondContact O-OG 2.87Å; V190-R194 WeakPolarHBondContact O-CG 3.38Å; V190-R194 PolarHBondContact O-N 3.37Å |
| 191 | L | 71.4 | Confident | 58.4 | Low | 116 Ų | 116 | 124.8 Ų | 124.8 | 61% | 0.607 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.7 | -44 | 178.1 | -163.6 | 72.4 | 0 | 0 | 0 | 111.7 | Q187 V188 D189 R194 | Q187-L191 PolarHBondContact O-N 3.02Å; Q187-L191 VanDerWaalsContact O-N 3.09Å; V188-L191 WeakPolarHBondContact O-CB 3.29Å; V188-L191 PolarHBondContact O-N 3.48Å; V188-L191 VanDerWaalsContact O-N 3.11Å; D189-L191 VanDerWaalsContact C-N 3.31Å; D189-L191 PolarHBondContact O-N 2.95Å; L191-R194 PolarHBondContact O-N 3.32Å |
| 192 | Y | 50.3 | Low | 58.5 | Low | 158 Ų | 158 | 122.1 Ų | 122.1 | 62% | 0.62 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.7 | -32.7 | 179 | -82.3 | -77.2 | 0 | 0 | 0 | 113.2 | V188 R194 V195 C196 | V188-Y192 HydrophobicContact CG1-CD2 3.65Å; V188-Y192 HydrophobicContact CG1-CE2 3.63Å; V188-Y192 VanDerWaalsContact O-CD2 3.31Å; V188-Y192 WeakPolarHBondContact O-CD2 3.46Å; V188-Y192 PolarHBondContact O-N 3.33Å; Y192-R194 VanDerWaalsContact C-N 3.29Å; Y192-R194 PolarHBondContact O-N 2.86Å; Y192-V195 PolarHBondContact O-N 3.23Å; Y192-C196 PolarHBondContact O-N 2.98Å; Y192-C196 VanDerWaalsContact O-N 3.07Å |
| 193 | S | 63.8 | Low | 58.2 | Low | 67 Ų | 67 | 123.8 Ų | 123.8 | 47% | 0.469 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -69.9 | -22.5 | 175.9 | 62 | 0 | 0 | 0 | 0 | 114 | D189 V190 | D189-S193 WeakPolarHBondContact O-CB 3.27Å; D189-S193 PolarHBondContact O-N 3.49Å; D189-S193 PolarHBondContact O-OG 2.89Å; V190-S193 WeakPolarHBondContact CA-OG 3.39Å; V190-S193 PolarHBondContact O-OG 2.87Å |
| 194 | R | 62.7 | Low | 57.5 | Low | 197 Ų | 197 | 122.2 Ų | 122.2 | 74% | 0.743 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -79.5 | -28.5 | 174.3 | -73 | -178.7 | -172.3 | -128.5 | 3.2 | 113.4 | V190 L191 Y192 | V190-R194 WeakPolarHBondContact O-CG 3.38Å; V190-R194 PolarHBondContact O-N 3.37Å; L191-R194 PolarHBondContact O-N 3.32Å; Y192-R194 VanDerWaalsContact C-N 3.29Å; Y192-R194 PolarHBondContact O-N 2.86Å |
| 195 | V | 57.6 | Low | 56.8 | Low | 118 Ų | 118 | 123.4 Ų | 123.4 | 72% | 0.715 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -87.4 | -32.2 | -179.3 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | Y192 K197 | Y192-V195 PolarHBondContact O-N 3.23Å; V195-K197 PolarHBondContact O-N 3.38Å |
| 196 | C | 54.2 | Low | 56.1 | Low | 93 Ų | 93 | 126.4 Ų | 126.4 | 63% | 0.628 | 66% | 0.661 | S | S | * | * | | | trans | -101.3 | 68.2 | 178.5 | -66.2 | 0 | 0 | 0 | 0 | 111.6 | Y192 P198 | Y192-C196 PolarHBondContact O-N 2.98Å; Y192-C196 VanDerWaalsContact O-N 3.07Å; C196-P198 WeakPolarHBondContact O-CD 3.23Å |
| 197 | K | 57.8 | Low | 55.1 | Low | 176 Ų | 176 | 130.3 Ų | 130.3 | 77% | 0.765 | 68% | 0.68 | S | S | * | * | | | trans | -92.9 | 113.3 | 158.2 | -69.8 | -149.8 | 176 | -171.7 | 0 | 109.2 | V195 K199 | V195-K197 PolarHBondContact O-N 3.38Å; K197-K199 PolarHBondContact O-N 3.34Å |
| 198 | P | 51.8 | Low | 53.8 | Low | 119 Ų | 119 | 131.1 Ų | 131.1 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | | | trans | -63.1 | 121.8 | 160.5 | 25.8 | -29.5 | 0 | 0 | 0 | 107.4 | C196 R200 | C196-P198 WeakPolarHBondContact O-CD 3.23Å; P198-R200 PolarHBondContact O-N 2.88Å |
| 199 | K | 48.6 | Very low | 52.7 | Low | 200 Ų | 200 | 133.1 Ų | 133.1 | 87% | 0.87 | 70% | 0.703 | S | S | * | * | | | trans | -54.6 | 102.3 | 174.2 | -173.5 | 174.5 | -178.2 | 175.7 | 0 | 107.8 | K197 R201 | K197-K199 PolarHBondContact O-N 3.34Å; K199-R201 PolarHBondContact O-N 3.33Å |
| 200 | R | 50.7 | Low | 51.4 | Low | 197 Ų | 197 | 135.7 Ų | 135.7 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | | | trans | -58.9 | 105.5 | 171.8 | -168 | -176.2 | -170.1 | -117.8 | 8 | 105.9 | P198 D202 | P198-R200 PolarHBondContact O-N 2.88Å; R200-D202 PolarHBondContact O-N 3.02Å |
| 201 | R | 50.4 | Low | 50.3 | Low | 231 Ų | 231 | 138.7 Ų | 138.7 | 87% | 0.872 | 73% | 0.729 | S | S | * | * | | | trans | -65.6 | 120 | 162.1 | -94 | 178.6 | 175.2 | 160.8 | -1.9 | 105.5 | K199 | K199-R201 PolarHBondContact O-N 3.33Š|
| 202 | D | 53.2 | Low | 49.1 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 67% | 0.668 | 74% | 0.736 | S | S | * | * | | | trans | -58.7 | 134.7 | 169.2 | -61.5 | -55.3 | 0 | 0 | 0 | 108.5 | R200 G204 | R200-D202 PolarHBondContact O-N 3.02Å; D202-G204 PolarHBondContact O-N 2.93Å; D202-G204 VanDerWaalsContact O-N 3.08Å |
| 203 | P | 51.9 | Low | 48.7 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | | | trans | -62.8 | 110.7 | 163.7 | -12.6 | 26.9 | 0 | 0 | 0 | 106.8 | | |
| 204 | G | 40.6 | Very low | 47.1 | Very low | 59 Ų | 59 | 140.1 Ų | 140.1 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | | | trans | -56.4 | 143 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | D202 T206 | D202-G204 PolarHBondContact O-N 2.93Å; D202-G204 VanDerWaalsContact O-N 3.08Å; G204-T206 PolarHBondContact O-N 3.1Å; G204-T206 VanDerWaalsContact O-N 3.11Å |
| 205 | P | 42.9 | Very low | 45.7 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | | | trans | -69.2 | 112.1 | -177.9 | 25.8 | -30.8 | 0 | 0 | 0 | 110.2 | T207 | P205-T207 PolarHBondContact O-N 3.21Š|
| 206 | T | 41.2 | Very low | 44.5 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | | | trans | -57.7 | 114.2 | 158 | -56.4 | 0 | 0 | 0 | 0 | 108.2 | G204 | G204-T206 PolarHBondContact O-N 3.1Å; G204-T206 VanDerWaalsContact O-N 3.11Å |
| 207 | T | 40.6 | Very low | 43.6 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | | | trans | -125.7 | 117.2 | 160.1 | 23.9 | 0 | 0 | 0 | 0 | 107.6 | P205 | P205-T207 PolarHBondContact O-N 3.21Š|
| 208 | D | 37 | Very low | 42.7 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | | | trans | -61.2 | 160.1 | 172.9 | -86.2 | -41.3 | 0 | 0 | 0 | 111.8 | | |
| 209 | P | 46.6 | Very low | 42.1 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | trans | -84.9 | 128.9 | -166 | 33.6 | -31 | 0 | 0 | 0 | 111.3 | | |
| 210 | L | 38.2 | Very low | 41.3 | Very low | 171 Ų | 171 | 133.9 Ų | 133.9 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | | | trans | -135.5 | 101 | 161.2 | -96.8 | 147.2 | 0 | 0 | 0 | 108.6 | | |
| 211 | D | 44.6 | Very low | 40.6 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | -59.1 | 137.8 | 154.8 | 178.6 | 38.8 | 0 | 0 | 0 | 108.8 | K213 | D211-K213 PolarHBondContact OD1-N 2.96Š|
| 212 | P | 47.3 | Very low | 39.7 | Very low | 114 Ų | 114 | 126 Ų | 126 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | | | | -145.6 | 124.6 | 101.5 | 32.1 | -12.7 | 0 | 0 | 0 | 114.4 | | |
| 213 | K | 41.4 | Very low | 38.9 | Very low | 197 Ų | 197 | 123.9 Ų | 123.9 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | | | trans | 1.2 | 123.8 | 130.1 | -163.8 | 174.4 | -171.4 | 173.5 | 0 | 117.2 | D211 | D211-K213 PolarHBondContact OD1-N 2.96Š|
| 214 | G | 29.9 | Very low | 38.1 | Very low | 61 Ų | 61 | 126.1 Ų | 126.1 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | | | trans | 155.9 | 120.6 | 151.8 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 215 | Q | 33.7 | Very low | 38 | Very low | 204 Ų | 204 | 130.9 Ų | 130.9 | 95% | 0.953 | 80% | 0.796 | S | S | * | * | | | trans | 61.3 | 124.3 | 147.3 | -108 | 140.2 | -25.3 | 0 | 0 | 118.2 | | |
| 216 | G | 32.9 | Very low | 37.7 | Very low | 70 Ų | 70 | 129.5 Ų | 129.5 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | | | cis | 115.9 | 135.7 | 41.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 217 | A | 34.9 | Very low | 37.3 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | 76.4 | 113 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 218 | I | 38.8 | Very low | 37.1 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | | 60.3 | 119.2 | 61.1 | -47.1 | 178 | 0 | 0 | 0 | 114.1 | | |
| 219 | L | 38.6 | Very low | 36.9 | Very low | 160 Ų | 160 | 134.8 Ų | 134.8 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | | | trans | 133.5 | 101.4 | 149.6 | -71.9 | 178.6 | 0 | 0 | 0 | 110.6 | | |
| 220 | A | 32 | Very low | 36.8 | Very low | 89 Ų | 89 | 136.9 Ų | 136.9 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | | | | 83.1 | 104.2 | 80 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 221 | L | 35.1 | Very low | 37.2 | Very low | 172 Ų | 172 | 134.3 Ų | 134.3 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | | | trans | -159.5 | 105.2 | 144.6 | -159.4 | 58.9 | 0 | 0 | 0 | 112.2 | | |
| 222 | A | 31.9 | Very low | 36.7 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | | | trans | 34.2 | 121 | 141.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 223 | G | 36.1 | Very low | 36.1 | Very low | 79 Ų | 79 | 141.2 Ų | 141.2 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | | | trans | -166.6 | 87.5 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 224 | D | 36.8 | Very low | 35.7 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | | | trans | -61.6 | 127.9 | -168.6 | -70 | -51.1 | 0 | 0 | 0 | 115.6 | | |
| 225 | L | 38.7 | Very low | 36.2 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | | | | 22.5 | 111.4 | 129.5 | -154.7 | 81 | 0 | 0 | 0 | 119.2 | | |
| 226 | A | 35.2 | Very low | 36.2 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | | | trans | -146 | 96 | 147.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 227 | Y | 33.2 | Very low | 36.9 | Very low | 218 Ų | 218 | 140 Ų | 140 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | | | trans | 51.8 | 111.1 | 151.7 | -82.7 | -93.5 | 0 | 0 | 0 | 122.2 | | |
| 228 | Q | 36 | Very low | 37.1 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | | | trans | -18.4 | 137.9 | 147.1 | -77 | -159.9 | 43.5 | 0 | 0 | 117.3 | | |
| 229 | T | 33.7 | Very low | 37.7 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | | -168.7 | 116.7 | 97.8 | 3.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 230 | L | 44 | Very low | 37.9 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | | | trans | -121.6 | 144.4 | 155.1 | -87.2 | 169.2 | 0 | 0 | 0 | 107.3 | | |
| 231 | P | 46.5 | Very low | 38.7 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | | -135.5 | 126.9 | 120.2 | 34 | -21.3 | 0 | 0 | 0 | 110.1 | | |
| 232 | L | 34.4 | Very low | 39.8 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | | | | 62.4 | 85.4 | 69.5 | -142.2 | 155.7 | 0 | 0 | 0 | 114.3 | A234 | L232-A234 HydrophobicContact CD2-CB 4.42Š|
| 233 | R | 34.4 | Very low | 40.9 | Very low | 240 Ų | 240 | 139.1 Ų | 139.1 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | | | trans | -139.2 | 97.1 | 152.5 | -81.2 | -99 | -170.1 | 164.8 | 1.4 | 104 | | |
| 234 | A | 33.9 | Very low | 41.7 | Very low | 77 Ų | 77 | 140.4 Ų | 140.4 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | | | | 36.5 | 123.2 | 72.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L232 | L232-A234 HydrophobicContact CD2-CB 4.42Š|
| 235 | L | 39.3 | Very low | 42.8 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | | | cis | 177.3 | 122.9 | 7.9 | 173.8 | 90.4 | 0 | 0 | 0 | 100.4 | | |
| 236 | D | 33.6 | Very low | 43.6 | Very low | 146 Ų | 146 | 141.6 Ų | 141.6 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | | | trans | -164.6 | 118.8 | 141.7 | -143.5 | 36.5 | 0 | 0 | 0 | 111.2 | | |
| 237 | V | 48.8 | Very low | 44.7 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | | | trans | -81.9 | 117 | 163.7 | 167.4 | 0 | 0 | 0 | 0 | 104.2 | | |
| 238 | D | 38.6 | Very low | 45.9 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | | | trans | -136.4 | 117 | 152 | -157.6 | 16 | 0 | 0 | 0 | 111.1 | | |
| 239 | S | 51.2 | Low | 47 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | trans | -105 | 108.8 | 172.3 | 42.1 | 0 | 0 | 0 | 0 | 106.4 | | |
| 240 | G | 43.3 | Very low | 48 | Very low | 61 Ų | 61 | 143.7 Ų | 143.7 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | | | trans | -144.4 | 159.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 241 | P | 48.6 | Very low | 48.4 | Very low | 91 Ų | 91 | 144.9 Ų | 144.9 | 59% | 0.591 | 77% | 0.768 | S | S | * | * | | | | -97.9 | 164 | -114.1 | -8.3 | 27.8 | 0 | 0 | 0 | 115.1 | E243 | P241-E243 VanDerWaalsContact C-N 3.28Å; P241-E243 HydrophobicContact CB-CG 4.41Å; P241-E243 WeakPolarHBondContact CD-OE1 3.5Å; P241-E243 VanDerWaalsContact CG-OE1 3.23Å; P241-E243 WeakPolarHBondContact CG-OE1 3.49Å; P241-E243 PolarHBondContact O-N 3.11Å |
| 242 | L | 57.8 | Low | 48.2 | Very low | 184 Ų | 184 | 151.3 Ų | 151.3 | 96% | 0.963 | 79% | 0.794 | S | S | * | * | | | trans | -61.4 | 85.7 | 165.2 | -84.7 | 157.5 | 0 | 0 | 0 | 110.5 | | |
| 243 | E | 55.2 | Low | 48.9 | Very low | 154 Ų | 154 | 151.2 Ų | 151.2 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | | | trans | -100.5 | 102 | 176.8 | -79.1 | 145.8 | -174.3 | 0 | 0 | 111 | P241 | P241-E243 VanDerWaalsContact C-N 3.28Å; P241-E243 HydrophobicContact CB-CG 4.41Å; P241-E243 WeakPolarHBondContact CD-OE1 3.5Å; P241-E243 VanDerWaalsContact CG-OE1 3.23Å; P241-E243 WeakPolarHBondContact CG-OE1 3.49Å; P241-E243 PolarHBondContact O-N 3.11Å |
| 244 | N | 53.5 | Low | 49.7 | Very low | 107 Ų | 107 | 146.5 Ų | 146.5 | 57% | 0.572 | 79% | 0.788 | S | S | * | * | | | trans | 74 | 75 | 138.9 | -121.8 | -5.4 | 0 | 0 | 0 | 119.4 | Y246 | N244-Y246 PolarHBondContact O-N 3.29Å; N244-Y246 VanDerWaalsContact O-N 3.09Å |
| 245 | V | 59.2 | Low | 50.6 | Low | 136 Ų | 136 | 150.4 Ų | 150.4 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -8.9 | 163.7 | 177.6 | 0 | 0 | 0 | 0 | 113 | | |
| 246 | Y | 56 | Low | 51.2 | Low | 205 Ų | 205 | 149.9 Ų | 149.9 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -0.3 | -175.2 | -108.3 | -90.3 | 0 | 0 | 0 | 116.2 | N244 | N244-Y246 PolarHBondContact O-N 3.29Å; N244-Y246 VanDerWaalsContact O-N 3.09Å |
| 247 | E | 58.1 | Low | 52.3 | Low | 162 Ų | 162 | 150.1 Ų | 150.1 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -97.4 | -8.2 | 174.1 | -76.3 | -136.6 | 155.8 | 0 | 0 | 114.8 | I249 | E247-I249 VanDerWaalsContact C-N 3.26Å; E247-I249 PolarHBondContact O-N 3.3Å |
| 248 | S | 58.2 | Low | 52.6 | Low | 109 Ų | 109 | 151.9 Ų | 151.9 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -79.4 | 1.8 | -177.1 | 176.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 249 | I | 59.6 | Low | 53.5 | Low | 147 Ų | 147 | 152.4 Ų | 152.4 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -112.6 | 69.7 | -178.1 | -45.8 | 176.5 | 0 | 0 | 0 | 110.1 | E247 | E247-I249 VanDerWaalsContact C-N 3.26Å; E247-I249 PolarHBondContact O-N 3.3Å |
| 250 | R | 54.8 | Low | 53.7 | Low | 230 Ų | 230 | 155.8 Ų | 155.8 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | | | trans | -179.8 | 92.6 | 149.1 | -101.9 | 168.3 | -174.9 | -158.3 | 1.3 | 108 | | |
| 251 | E | 51.6 | Low | 54.6 | Low | 188 Ų | 188 | 163.7 Ų | 163.7 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | | | trans | 176.3 | 85.6 | 150.4 | -98.7 | 166.7 | -149.8 | 0 | 0 | 109.2 | | |
| 252 | L | 42.6 | Very low | 55.1 | Low | 251 Ų | 251 | 170.3 Ų | 170.3 | 100% | 1.314 | 84% | 0.838 | S | S | * | * | | | | 176.7 | 0 | 127.3 | -116.1 | 88.2 | 0 | 0 | 0 | 110.2 | | |