| 1 | M | 41.7 | Very low | 58 | Low | 243 Ų | 243 | 117.5 Ų | 117.5 | 100% | 1.197 | 70% | 0.698 | S | S | * | * | | | | 0 | 87.3 | 0 | -58.1 | -103.1 | -173.7 | 0 | 0 | 106.8 | L3 | M1-L3 PolarHBondContact O-N 2.78Š|
| 2 | G | 52 | Low | 59.5 | Low | 78 Ų | 78 | 117.4 Ų | 117.4 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | | | trans | -78.1 | 120 | -176.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 3 | L | 58.8 | Low | 61.5 | Low | 157 Ų | 157 | 124.7 Ų | 124.7 | 82% | 0.822 | 70% | 0.7 | S | S | * | * | | | trans | -59.6 | 132.6 | 172.4 | -72.8 | 103.3 | 0 | 0 | 0 | 108.8 | M1 V5 | M1-L3 PolarHBondContact O-N 2.78Å; L3-V5 PolarHBondContact O-N 2.88Å |
| 4 | P | 60.3 | Low | 63.4 | Low | 124 Ų | 124 | 121.9 Ų | 121.9 | 81% | 0.805 | 69% | 0.686 | S | S | * | * | | | trans | -64.8 | 105.3 | 176.3 | 26.3 | -31.2 | 0 | 0 | 0 | 107.7 | S6 | P4-S6 PolarHBondContact O-N 3.18Å; P4-S6 VanDerWaalsContact O-N 3.08Å |
| 5 | V | 52.8 | Low | 65 | Low | 132 Ų | 132 | 121.6 Ų | 121.6 | 80% | 0.8 | 68% | 0.682 | S | S | * | * | | | trans | -46.8 | 117.9 | 170.3 | 170.2 | 0 | 0 | 0 | 0 | 107.3 | L3 W7 | L3-V5 PolarHBondContact O-N 2.88Å; V5-W7 VanDerWaalsContact C-N 3.27Å; V5-W7 PolarHBondContact O-N 3.34Å |
| 6 | S | 57.9 | Low | 66.6 | Low | 94 Ų | 94 | 116.7 Ų | 116.7 | 66% | 0.657 | 67% | 0.667 | S | S | * | * | | | trans | -49.2 | 85.9 | 179.4 | -70.9 | 0 | 0 | 0 | 0 | 111.8 | P4 P9 | P4-S6 PolarHBondContact O-N 3.18Å; P4-S6 VanDerWaalsContact O-N 3.08Å; S6-P9 WeakPolarHBondContact O-CD 3.42Å |
| 7 | W | 52 | Low | 68 | Low | 222 Ų | 222 | 113.7 Ų | 113.7 | 84% | 0.841 | 65% | 0.654 | S | S | * | * | | | trans | -84.7 | 1.9 | 161.2 | -163.5 | -87.6 | 0 | 0 | 0 | 111.1 | V5 P10 | V5-W7 VanDerWaalsContact C-N 3.27Å; V5-W7 PolarHBondContact O-N 3.34Å; W7-P10 VanDerWaalsContact O-CD 3.3Å; W7-P10 WeakPolarHBondContact O-CD 3.47Å |
| 8 | A | 56.1 | Low | 69.2 | Low | 50 Ų | 50 | 110.8 Ų | 110.8 | 41% | 0.413 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -65.3 | -19.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | L12 | A8-L12 HydrophobicContact CB-CD1 4.23Å; A8-L12 WeakPolarHBondContact O-CB 3.16Å; A8-L12 WeakPolarHBondContact O-CD1 3.47Å; A8-L12 VanDerWaalsContact O-CG 3.23Å; A8-L12 WeakPolarHBondContact O-CG 3.39Å; A8-L12 PolarHBondContact O-N 3.46Å; A8-L12 VanDerWaalsContact O-N 3.15Å |
| 9 | P | 63.8 | Low | 70.5 | Confident | 72 Ų | 72 | 108.1 Ų | 108.1 | 47% | 0.468 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -60.7 | -48.7 | -177.8 | -18.9 | 27.6 | 0 | 0 | 0 | 114.7 | S6 W13 | S6-P9 WeakPolarHBondContact O-CD 3.42Å; P9-W13 PolarHBondContact O-N 2.8Å |
| 10 | P | 69.3 | Low | 71.6 | Confident | 68 Ų | 68 | 109 Ų | 109 | 44% | 0.442 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -72 | -36.4 | -178.4 | 26 | -33.9 | 0 | 0 | 0 | 112.5 | W7 L12 W13 V14 | W7-P10 VanDerWaalsContact O-CD 3.3Å; W7-P10 WeakPolarHBondContact O-CD 3.47Å; P10-L12 PolarHBondContact O-N 3.29Å; P10-W13 PolarHBondContact O-N 3.03Å; P10-V14 VanDerWaalsContact O-CG2 3.25Å; P10-V14 WeakPolarHBondContact O-CG2 3.47Å; P10-V14 PolarHBondContact O-N 3.29Å |
| 11 | A | 73.4 | Confident | 72.6 | Confident | 52 Ų | 52 | 109 Ų | 109 | 43% | 0.43 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.2 | -41.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V14 L15 | A11-V14 PolarHBondContact O-N 3.4Å; A11-L15 VanDerWaalsContact O-CD1 3.27Å; A11-L15 WeakPolarHBondContact O-CD1 2.97Å; A11-L15 PolarHBondContact O-N 3.3Å |
| 12 | L | 75.7 | Confident | 75 | Confident | 117 Ų | 117 | 103 Ų | 103 | 61% | 0.613 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.9 | -37.5 | 175.7 | -68.1 | 171.6 | 0 | 0 | 0 | 112 | A8 P10 L15 G16 | A8-L12 HydrophobicContact CB-CD1 4.23Å; A8-L12 WeakPolarHBondContact O-CB 3.16Å; A8-L12 WeakPolarHBondContact O-CD1 3.47Å; A8-L12 VanDerWaalsContact O-CG 3.23Å; A8-L12 WeakPolarHBondContact O-CG 3.39Å; A8-L12 PolarHBondContact O-N 3.46Å; A8-L12 VanDerWaalsContact O-N 3.15Å; P10-L12 PolarHBondContact O-N 3.29Å; L12-L15 PolarHBondContact O-N 3.47Å; L12-G16 PolarHBondContact O-N 3.01Å |
| 13 | W | 85.6 | Confident | 77 | Confident | 212 Ų | 212 | 102.7 Ų | 102.7 | 80% | 0.803 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.7 | -42.7 | 172.8 | -100.2 | 87.8 | 0 | 0 | 0 | 112.6 | P9 P10 G16 C17 | P9-W13 PolarHBondContact O-N 2.8Å; P10-W13 PolarHBondContact O-N 3.03Å; W13-G16 PolarHBondContact O-N 3.25Å; W13-C17 VanDerWaalsContact O-CB 3.25Å; W13-C17 WeakPolarHBondContact O-CB 3.35Å; W13-C17 PolarHBondContact O-N 2.89Å |
| 14 | V | 87.9 | Confident | 78.6 | Confident | 85 Ų | 85 | 100 Ų | 100 | 52% | 0.515 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.1 | -43.8 | 176.3 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | P10 A11 C17 C18 | P10-V14 VanDerWaalsContact O-CG2 3.25Å; P10-V14 WeakPolarHBondContact O-CG2 3.47Å; P10-V14 PolarHBondContact O-N 3.29Å; A11-V14 PolarHBondContact O-N 3.4Å; V14-C17 PolarHBondContact O-N 3.44Å; V14-C18 WeakPolarHBondContact O-CB 3.43Å; V14-C18 PolarHBondContact O-N 3.48Å; V14-C18 PolarHBondContact O-SG 3.39Å |
| 15 | L | 87.1 | Confident | 80.1 | Confident | 118 Ų | 118 | 102.3 Ų | 102.3 | 62% | 0.618 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.2 | -43.8 | 175.3 | -99 | 76.5 | 0 | 0 | 0 | 111.9 | A11 L12 C18 A19 | A11-L15 VanDerWaalsContact O-CD1 3.27Å; A11-L15 WeakPolarHBondContact O-CD1 2.97Å; A11-L15 PolarHBondContact O-N 3.3Å; L12-L15 PolarHBondContact O-N 3.47Å; L15-C18 PolarHBondContact O-N 3.18Å; L15-A19 WeakPolarHBondContact O-CB 3.3Å; L15-A19 PolarHBondContact O-N 3.33Å |
| 16 | G | 91.3 | Very high | 81.8 | Confident | 43 Ų | 43 | 98.3 Ų | 98.3 | 44% | 0.443 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L12 W13 A19 L20 | L12-G16 PolarHBondContact O-N 3.01Å; W13-G16 PolarHBondContact O-N 3.25Å; G16-A19 PolarHBondContact O-N 3.35Å; G16-L20 WeakPolarHBondContact O-CB 3.36Å; G16-L20 PolarHBondContact O-N 3.32Å |
| 17 | C | 90.3 | Very high | 83.1 | Confident | 66 Ų | 66 | 98.7 Ų | 98.7 | 45% | 0.446 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.3 | -44 | 175.6 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | W13 V14 L20 L21 | W13-C17 VanDerWaalsContact O-CB 3.25Å; W13-C17 WeakPolarHBondContact O-CB 3.35Å; W13-C17 PolarHBondContact O-N 2.89Å; V14-C17 PolarHBondContact O-N 3.44Å; C17-L20 PolarHBondContact O-N 3.5Å; C17-L21 WeakPolarHBondContact O-CB 3.15Å; C17-L21 WeakPolarHBondContact O-CG 3.5Å; C17-L21 PolarHBondContact O-N 2.84Å |
| 18 | C | 89.8 | Confident | 84.5 | Confident | 61 Ų | 61 | 90.9 Ų | 90.9 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 174.6 | -75.5 | 0 | 0 | 0 | 0 | 111.4 | V14 L15 L20 L21 L22 | V14-C18 WeakPolarHBondContact O-CB 3.43Å; V14-C18 PolarHBondContact O-N 3.48Å; V14-C18 PolarHBondContact O-SG 3.39Å; L15-C18 PolarHBondContact O-N 3.18Å; C18-L20 VanDerWaalsContact C-N 3.34Å; C18-L20 PolarHBondContact O-N 2.84Å; C18-L21 PolarHBondContact O-N 2.88Å; C18-L22 VanDerWaalsContact O-CB 3.32Å; C18-L22 WeakPolarHBondContact O-CB 3.25Å; C18-L22 WeakPolarHBondContact O-CG 3.35Å; C18-L22 PolarHBondContact O-N 3.03Å |
| 19 | A | 92.9 | Very high | 85.3 | Confident | 60 Ų | 60 | 91.8 Ų | 91.8 | 50% | 0.496 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L15 G16 S23 | L15-A19 WeakPolarHBondContact O-CB 3.3Å; L15-A19 PolarHBondContact O-N 3.33Å; G16-A19 PolarHBondContact O-N 3.35Å; A19-S23 WeakPolarHBondContact O-CB 3.27Å; A19-S23 PolarHBondContact O-N 3.36Å |
| 20 | L | 94.3 | Very high | 85.8 | Confident | 126 Ų | 126 | 91 Ų | 91 | 66% | 0.66 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.5 | -42.7 | 177.8 | -167.6 | 70.1 | 0 | 0 | 0 | 112.1 | G16 C17 C18 S23 L24 | G16-L20 WeakPolarHBondContact O-CB 3.36Å; G16-L20 PolarHBondContact O-N 3.32Å; C17-L20 PolarHBondContact O-N 3.5Å; C18-L20 VanDerWaalsContact C-N 3.34Å; C18-L20 PolarHBondContact O-N 2.84Å; L20-S23 PolarHBondContact O-N 3.07Å; L20-L24 VanDerWaalsContact O-CB 3.3Å; L20-L24 WeakPolarHBondContact O-CB 3.23Å; L20-L24 PolarHBondContact O-N 2.99Å |
| 21 | L | 92.7 | Very high | 85.9 | Confident | 109 Ų | 109 | 92.4 Ų | 92.4 | 57% | 0.571 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.6 | -43.2 | 175.9 | -75.2 | 168.5 | 0 | 0 | 0 | 111.6 | C17 C18 L24 W25 | C17-L21 WeakPolarHBondContact O-CB 3.15Å; C17-L21 WeakPolarHBondContact O-CG 3.5Å; C17-L21 PolarHBondContact O-N 2.84Å; C18-L21 PolarHBondContact O-N 2.88Å; L21-L24 PolarHBondContact O-N 2.89Å; L21-W25 WeakPolarHBondContact O-CB 3.44Å; L21-W25 PolarHBondContact O-N 3.36Å |
| 22 | L | 91.6 | Very high | 85.1 | Confident | 117 Ų | 117 | 99.7 Ų | 99.7 | 61% | 0.613 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.6 | -40 | 176.2 | -71.1 | 171.8 | 0 | 0 | 0 | 111.5 | C18 W25 A26 | C18-L22 VanDerWaalsContact O-CB 3.32Å; C18-L22 WeakPolarHBondContact O-CB 3.25Å; C18-L22 WeakPolarHBondContact O-CG 3.35Å; C18-L22 PolarHBondContact O-N 3.03Å; L22-W25 PolarHBondContact O-N 2.89Å; L22-A26 VanDerWaalsContact O-CB 3.29Å; L22-A26 WeakPolarHBondContact O-CB 3.42Å; L22-A26 PolarHBondContact O-N 2.79Å |
| 23 | S | 93.2 | Very high | 83.8 | Confident | 72 Ų | 72 | 103.4 Ų | 103.4 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.4 | -46.8 | 174.8 | -177.5 | 0 | 0 | 0 | 0 | 111.4 | A19 L20 W25 A26 L27 | A19-S23 WeakPolarHBondContact O-CB 3.27Å; A19-S23 PolarHBondContact O-N 3.36Å; L20-S23 PolarHBondContact O-N 3.07Å; S23-W25 VanDerWaalsContact C-N 3.3Å; S23-W25 PolarHBondContact O-N 2.9Å; S23-A26 PolarHBondContact O-N 3.47Å; S23-L27 VanDerWaalsContact O-CB 3.28Å; S23-L27 WeakPolarHBondContact O-CB 3.33Å; S23-L27 PolarHBondContact O-N 3.5Å |
| 24 | L | 92.4 | Very high | 82.2 | Confident | 99 Ų | 99 | 96.3 Ų | 96.3 | 52% | 0.518 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 175.9 | -174.9 | 63.3 | 0 | 0 | 0 | 111.3 | L20 L21 C28 | L20-L24 VanDerWaalsContact O-CB 3.3Å; L20-L24 WeakPolarHBondContact O-CB 3.23Å; L20-L24 PolarHBondContact O-N 2.99Å; L21-L24 PolarHBondContact O-N 2.89Å; L24-C28 WeakPolarHBondContact O-CB 3.47Å; L24-C28 PolarHBondContact O-N 2.7Å; L24-C28 PolarHBondContact O-SG 3.08Å |
| 25 | W | 93 | Very high | 80.2 | Confident | 173 Ų | 173 | 101.7 Ų | 101.7 | 66% | 0.655 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.4 | -42.8 | 174.8 | -175.1 | 86.5 | 0 | 0 | 0 | 111.9 | L21 L22 S23 C28 T29 | L21-W25 WeakPolarHBondContact O-CB 3.44Å; L21-W25 PolarHBondContact O-N 3.36Å; L22-W25 PolarHBondContact O-N 2.89Å; S23-W25 VanDerWaalsContact C-N 3.3Å; S23-W25 PolarHBondContact O-N 2.9Å; W25-C28 PolarHBondContact O-N 2.95Å; W25-T29 HydrophobicContact CD2-CG2 4.07Å; W25-T29 HydrophobicContact CE3-CG2 4.35Å; W25-T29 HydrophobicContact CH2-CG2 4.28Å; W25-T29 HydrophobicContact CZ2-CG2 3.99Å; W25-T29 HydrophobicContact CZ3-CG2 4.45Å; W25-T29 WeakPolarHBondContact O-CB 3.34Å; W25-T29 VanDerWaalsContact O-CG2 3.28Å; W25-T29 WeakPolarHBondContact O-CG2 3.37Å; W25-T29 PolarHBondContact O-N 2.88Å; W25-T29 PolarHBondContact O-OG1 3.3Å |
| 26 | A | 86.6 | Confident | 78.2 | Confident | 49 Ų | 49 | 102.2 Ų | 102.2 | 41% | 0.405 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.2 | -43.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | L22 S23 T29 A30 | L22-A26 VanDerWaalsContact O-CB 3.29Å; L22-A26 WeakPolarHBondContact O-CB 3.42Å; L22-A26 PolarHBondContact O-N 2.79Å; S23-A26 PolarHBondContact O-N 3.47Å; A26-T29 WeakPolarHBondContact CA-OG1 3.36Å; A26-T29 PolarHBondContact O-N 2.91Å; A26-T29 PolarHBondContact O-OG1 3.31Å; A26-A30 WeakPolarHBondContact O-CB 3.3Å; A26-A30 PolarHBondContact O-N 2.81Å |
| 27 | L | 85.9 | Confident | 75.8 | Confident | 101 Ų | 101 | 103.9 Ų | 103.9 | 53% | 0.529 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.3 | -40.8 | 175.9 | -170.1 | 63.5 | 0 | 0 | 0 | 110.8 | S23 T29 A30 C31 | S23-L27 VanDerWaalsContact O-CB 3.28Å; S23-L27 WeakPolarHBondContact O-CB 3.33Å; S23-L27 PolarHBondContact O-N 3.5Å; L27-T29 PolarHBondContact O-N 3.28Å; L27-A30 CarbonylContact O-C 3.33Å; L27-A30 PolarHBondContact O-N 2.94Å; L27-C31 WeakPolarHBondContact O-CB 3.25Å; L27-C31 PolarHBondContact O-N 3.34Å; L27-C31 PolarHBondContact O-SG 3.46Å |
| 28 | C | 81.9 | Confident | 73.9 | Confident | 59 Ų | 59 | 107.4 Ų | 107.4 | 40% | 0.399 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.7 | -36.3 | 175.1 | -74.8 | 0 | 0 | 0 | 0 | 112.2 | L24 W25 R32 | L24-C28 WeakPolarHBondContact O-CB 3.47Å; L24-C28 PolarHBondContact O-N 2.7Å; L24-C28 PolarHBondContact O-SG 3.08Å; W25-C28 PolarHBondContact O-N 2.95Å; C28-R32 WeakPolarHBondContact O-CA 3.2Å; C28-R32 WeakPolarHBondContact O-CB 3.32Å; C28-R32 WeakPolarHBondContact O-CG 3.35Å; C28-R32 PolarHBondContact O-N 2.88Å |
| 29 | T | 72.7 | Confident | 71.8 | Confident | 68 Ų | 68 | 106.5 Ų | 106.5 | 42% | 0.417 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -76 | -29 | 176 | 51.7 | 0 | 0 | 0 | 0 | 112.1 | W25 A26 L27 R32 R33 | W25-T29 HydrophobicContact CD2-CG2 4.07Å; W25-T29 HydrophobicContact CE3-CG2 4.35Å; W25-T29 HydrophobicContact CH2-CG2 4.28Å; W25-T29 HydrophobicContact CZ2-CG2 3.99Å; W25-T29 HydrophobicContact CZ3-CG2 4.45Å; W25-T29 WeakPolarHBondContact O-CB 3.34Å; W25-T29 VanDerWaalsContact O-CG2 3.28Å; W25-T29 WeakPolarHBondContact O-CG2 3.37Å; W25-T29 PolarHBondContact O-N 2.88Å; W25-T29 PolarHBondContact O-OG1 3.3Å; A26-T29 WeakPolarHBondContact CA-OG1 3.36Å; A26-T29 PolarHBondContact O-N 2.91Å; A26-T29 PolarHBondContact O-OG1 3.31Å; L27-T29 PolarHBondContact O-N 3.28Å; T29-R32 CarbonylContact O-C 3.59Å; T29-R33 WeakPolarHBondContact O-CA 3.29Å; T29-R33 PolarHBondContact O-N 3.29Å |
| 30 | A | 73.3 | Confident | 69.8 | Low | 55 Ų | 55 | 108.1 Ų | 108.1 | 46% | 0.455 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -80.1 | -32.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A26 L27 R33 | A26-A30 WeakPolarHBondContact O-CB 3.3Å; A26-A30 PolarHBondContact O-N 2.81Å; L27-A30 CarbonylContact O-C 3.33Å; L27-A30 PolarHBondContact O-N 2.94Å; A30-R33 WeakPolarHBondContact O-CB 3.28Å; A30-R33 PolarHBondContact O-N 3.21Å |
| 31 | C | 72.1 | Confident | 67.8 | Low | 99 Ų | 99 | 112.8 Ų | 112.8 | 67% | 0.669 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -82.7 | -27.6 | 172.6 | -66.2 | 0 | 0 | 0 | 0 | 111.5 | L27 | L27-C31 WeakPolarHBondContact O-CB 3.25Å; L27-C31 PolarHBondContact O-N 3.34Å; L27-C31 PolarHBondContact O-SG 3.46Å |
| 32 | R | 57.3 | Low | 65.8 | Low | 205 Ų | 205 | 114.3 Ų | 114.3 | 77% | 0.774 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 16.5 | 160.9 | -63.1 | -164.9 | 179.3 | -177.5 | 3.6 | 112.1 | C28 T29 P34 | C28-R32 WeakPolarHBondContact O-CA 3.2Å; C28-R32 WeakPolarHBondContact O-CB 3.32Å; C28-R32 WeakPolarHBondContact O-CG 3.35Å; C28-R32 PolarHBondContact O-N 2.88Å; T29-R32 CarbonylContact O-C 3.59Å; R32-P34 VanDerWaalsContact O-N 3.11Å |
| 33 | R | 47.5 | Very low | 63.9 | Low | 194 Ų | 194 | 118.1 Ų | 118.1 | 73% | 0.732 | 61% | 0.606 | S | S | * | * | | | trans | -54 | 124.5 | 168.1 | -172.1 | 164.9 | -172.7 | 144.7 | -2.4 | 105.6 | T29 A30 E35 | T29-R33 WeakPolarHBondContact O-CA 3.29Å; T29-R33 PolarHBondContact O-N 3.29Å; A30-R33 WeakPolarHBondContact O-CB 3.28Å; A30-R33 PolarHBondContact O-N 3.21Å; R33-E35 PolarHBondContact O-N 3.49Å |
| 34 | P | 52.7 | Low | 61.9 | Low | 64 Ų | 64 | 117.4 Ų | 117.4 | 42% | 0.416 | 61% | 0.605 | S | S | . | * | | | trans | -77.5 | 101.3 | -153.8 | 32.5 | -35.8 | 0 | 0 | 0 | 107.6 | R32 D36 A37 | R32-P34 VanDerWaalsContact O-N 3.11Å; P34-D36 PolarHBondContact O-N 2.89Å; P34-A37 HydrophobicContact CB-CB 4.4Å; P34-A37 HydrophobicContact CG-CB 3.97Å; P34-A37 WeakPolarHBondContact O-CB 3.42Å; P34-A37 PolarHBondContact O-N 3.15Å |
| 35 | E | 45.9 | Very low | 60.1 | Low | 198 Ų | 198 | 121.9 Ų | 121.9 | 93% | 0.925 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -2.9 | 147.3 | -75.3 | -93.3 | 94.4 | 0 | 0 | 110.7 | R33 | R33-E35 PolarHBondContact O-N 3.49Š|
| 36 | D | 44.8 | Very low | 58.2 | Low | 129 Ų | 129 | 122.2 Ų | 122.2 | 69% | 0.69 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | 45.8 | 164.4 | -61.5 | -60 | 0 | 0 | 0 | 112.3 | P34 V38 A39 | P34-D36 PolarHBondContact O-N 2.89Å; D36-V38 PolarHBondContact O-N 3.48Å; D36-A39 PolarHBondContact O-N 2.78Å |
| 37 | A | 41.8 | Very low | 56.7 | Low | 77 Ų | 77 | 126.5 Ų | 126.5 | 64% | 0.636 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 20.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | P34 | P34-A37 HydrophobicContact CB-CB 4.4Å; P34-A37 HydrophobicContact CG-CB 3.97Å; P34-A37 WeakPolarHBondContact O-CB 3.42Å; P34-A37 PolarHBondContact O-N 3.15Å |
| 38 | V | 49.5 | Very low | 55.2 | Low | 140 Ų | 140 | 130.9 Ų | 130.9 | 85% | 0.848 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | -3.4 | 172 | 175.1 | 0 | 0 | 0 | 0 | 112.4 | D36 | D36-V38 PolarHBondContact O-N 3.48Š|
| 39 | A | 46 | Very low | 53.9 | Low | 43 Ų | 43 | 130.5 Ų | 130.5 | 36% | 0.355 | 64% | 0.638 | S | S | . | * | | | trans | -133.9 | 13.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 121 | D36 R41 K42 | D36-A39 PolarHBondContact O-N 2.78Å; A39-R41 PolarHBondContact O-N 2.9Å; A39-K42 HydrophobicContact CB-CB 4.47Å; A39-K42 PolarHBondContact O-N 3.2Å; A39-K42 VanDerWaalsContact O-N 3.09Å |
| 40 | P | 49.9 | Very low | 53.1 | Low | 93 Ų | 93 | 136.9 Ų | 136.9 | 60% | 0.604 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -66.5 | -28 | 174.3 | 26.9 | -30.8 | 0 | 0 | 0 | 112.1 | K42 | P40-K42 VanDerWaalsContact C-N 3.33Å; P40-K42 PolarHBondContact O-N 3.46Å |
| 41 | R | 52.3 | Low | 52.3 | Low | 224 Ų | 224 | 140.1 Ų | 140.1 | 85% | 0.845 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -66.9 | -28.1 | 172.2 | -79.3 | -175.8 | 174.1 | -174.2 | -1.2 | 113.6 | A39 R45 | A39-R41 PolarHBondContact O-N 2.9Å; R41-R45 VanDerWaalsContact O-CB 3.3Å; R41-R45 WeakPolarHBondContact O-CB 3.14Å; R41-R45 PolarHBondContact O-N 3.36Å; R41-R45 VanDerWaalsContact O-N 3.14Å |
| 42 | K | 50.5 | Low | 51.4 | Low | 141 Ų | 141 | 142.1 Ų | 142.1 | 61% | 0.613 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -77.5 | -31.3 | -174.4 | -83.1 | -166.2 | 179.1 | -168.2 | 0 | 113.3 | A39 P40 R46 | A39-K42 HydrophobicContact CB-CB 4.47Å; A39-K42 PolarHBondContact O-N 3.2Å; A39-K42 VanDerWaalsContact O-N 3.09Å; P40-K42 VanDerWaalsContact C-N 3.33Å; P40-K42 PolarHBondContact O-N 3.46Å; K42-R46 WeakPolarHBondContact O-CB 3.3Å; K42-R46 WeakPolarHBondContact O-CG 3.33Å; K42-R46 PolarHBondContact O-N 3.27Å |
| 43 | R | 51.5 | Low | 51.2 | Low | 198 Ų | 198 | 134 Ų | 134 | 75% | 0.747 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -74.1 | -43.2 | 178.1 | -71.1 | -171.2 | -176.7 | -153.6 | 2.7 | 112.2 | R45 R46 Q47 | R43-R45 VanDerWaalsContact C-N 3.33Å; R43-R45 PolarHBondContact O-N 2.9Å; R43-R46 PolarHBondContact O-N 2.85Å; R43-Q47 PolarHBondContact O-N 2.9Å |
| 44 | A | 52.7 | Low | 51.5 | Low | 57 Ų | 57 | 128 Ų | 128 | 47% | 0.471 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -62.5 | -39.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q47 R48 | A44-Q47 PolarHBondContact O-N 3.42Å; A44-R48 WeakPolarHBondContact O-CB 3.19Å; A44-R48 PolarHBondContact O-N 3.41Å |
| 45 | R | 53.7 | Low | 51.4 | Low | 192 Ų | 192 | 128 Ų | 128 | 73% | 0.725 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.3 | -38.1 | 172.7 | -170 | 176.6 | -175.7 | -90.8 | 3.5 | 112.8 | R41 R43 R48 A49 | R41-R45 VanDerWaalsContact O-CB 3.3Å; R41-R45 WeakPolarHBondContact O-CB 3.14Å; R41-R45 PolarHBondContact O-N 3.36Å; R41-R45 VanDerWaalsContact O-N 3.14Å; R43-R45 VanDerWaalsContact C-N 3.33Å; R43-R45 PolarHBondContact O-N 2.9Å; R45-R48 PolarHBondContact O-N 2.86Å; R45-A49 WeakPolarHBondContact O-CB 3.29Å; R45-A49 PolarHBondContact O-N 2.86Å |
| 46 | R | 53.5 | Low | 51.7 | Low | 181 Ų | 181 | 123.2 Ų | 123.2 | 68% | 0.683 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.3 | -35.7 | 175.8 | -80.7 | -175.8 | -175.8 | -122.4 | 5 | 112.6 | K42 R43 R50 | K42-R46 WeakPolarHBondContact O-CB 3.3Å; K42-R46 WeakPolarHBondContact O-CG 3.33Å; K42-R46 PolarHBondContact O-N 3.27Å; R43-R46 PolarHBondContact O-N 2.85Å; R46-R50 WeakPolarHBondContact O-CB 3.19Å; R46-R50 WeakPolarHBondContact O-CG 3.18Å; R46-R50 PolarHBondContact O-N 3.14Å |
| 47 | Q | 54.6 | Low | 51.7 | Low | 139 Ų | 139 | 119.2 Ų | 119.2 | 65% | 0.65 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.1 | -44.6 | 171.9 | -88.3 | -175.7 | -55.4 | 0 | 0 | 111.7 | R43 A44 A49 R50 L51 | R43-Q47 PolarHBondContact O-N 2.9Å; A44-Q47 PolarHBondContact O-N 3.42Å; Q47-A49 PolarHBondContact O-N 3.43Å; Q47-R50 PolarHBondContact O-N 2.85Å; Q47-L51 WeakPolarHBondContact O-CG 3.06Å; Q47-L51 PolarHBondContact O-N 3.25Å |
| 48 | R | 55.6 | Low | 52 | Low | 192 Ų | 192 | 118.7 Ų | 118.7 | 73% | 0.725 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.8 | -40.5 | 172.8 | -80.5 | -170.8 | 172.5 | -168.2 | -1.6 | 112.7 | A44 R45 L51 Q52 | A44-R48 WeakPolarHBondContact O-CB 3.19Å; A44-R48 PolarHBondContact O-N 3.41Å; R45-R48 PolarHBondContact O-N 2.86Å; R48-L51 PolarHBondContact O-N 3.09Å; R48-Q52 WeakPolarHBondContact O-CB 3.44Å; R48-Q52 WeakPolarHBondContact O-CG 3.19Å; R48-Q52 PolarHBondContact O-N 3.09Å |
| 49 | A | 54.6 | Low | 52 | Low | 51 Ų | 51 | 120.1 Ų | 120.1 | 42% | 0.421 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69.3 | -33.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R45 Q47 G53 | R45-A49 WeakPolarHBondContact O-CB 3.29Å; R45-A49 PolarHBondContact O-N 2.86Å; Q47-A49 PolarHBondContact O-N 3.43Å; A49-G53 PolarHBondContact O-N 3.3Å |
| 50 | R | 55.4 | Low | 51.9 | Low | 202 Ų | 202 | 120.8 Ų | 120.8 | 76% | 0.762 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.1 | -38.7 | 172.9 | -82.5 | -176.3 | 179.1 | -101.9 | 2.3 | 111.9 | R46 Q47 S54 | R46-R50 WeakPolarHBondContact O-CB 3.19Å; R46-R50 WeakPolarHBondContact O-CG 3.18Å; R46-R50 PolarHBondContact O-N 3.14Å; Q47-R50 PolarHBondContact O-N 2.85Å; R50-S54 WeakPolarHBondContact O-CB 3.28Å; R50-S54 PolarHBondContact O-N 2.8Å; R50-S54 PolarHBondContact O-OG 3.35Å; R50-S54 VanDerWaalsContact O-OG 3.07Å |
| 51 | L | 56.6 | Low | 51.9 | Low | 123 Ų | 123 | 123.7 Ų | 123.7 | 64% | 0.644 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.7 | -38.7 | 175 | -76.8 | 158.9 | 0 | 0 | 0 | 112.4 | Q47 R48 S54 A55 | Q47-L51 WeakPolarHBondContact O-CG 3.06Å; Q47-L51 PolarHBondContact O-N 3.25Å; R48-L51 PolarHBondContact O-N 3.09Å; L51-S54 WeakPolarHBondContact CA-OG 3.44Å; L51-S54 PolarHBondContact O-OG 2.89Å; L51-A55 PolarHBondContact O-N 2.83Å |
| 52 | Q | 53.9 | Low | 51.6 | Low | 141 Ų | 141 | 119.6 Ų | 119.6 | 66% | 0.659 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -73.5 | -36.9 | 175.8 | -74.5 | -176.6 | -24.7 | 0 | 0 | 112.6 | R48 A55 T56 | R48-Q52 WeakPolarHBondContact O-CB 3.44Å; R48-Q52 WeakPolarHBondContact O-CG 3.19Å; R48-Q52 PolarHBondContact O-N 3.09Å; Q52-A55 PolarHBondContact O-N 3.41Å; Q52-T56 PolarHBondContact O-N 3.37Å; Q52-T56 PolarHBondContact O-OG1 3.05Å |
| 53 | G | 52.8 | Low | 51.5 | Low | 34 Ų | 34 | 115.8 Ų | 115.8 | 35% | 0.351 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -71.5 | -27.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A49 T56 A57 | A49-G53 PolarHBondContact O-N 3.3Å; G53-T56 PolarHBondContact O-OG1 2.74Å; G53-A57 WeakPolarHBondContact O-CB 3.19Å; G53-A57 PolarHBondContact O-N 3.49Å |
| 54 | S | 52.9 | Low | 51.2 | Low | 70 Ų | 70 | 114 Ų | 114 | 49% | 0.49 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -74.4 | -27.6 | 171.3 | 54.5 | 0 | 0 | 0 | 0 | 113 | R50 L51 A58 | R50-S54 WeakPolarHBondContact O-CB 3.28Å; R50-S54 PolarHBondContact O-N 2.8Å; R50-S54 PolarHBondContact O-OG 3.35Å; R50-S54 VanDerWaalsContact O-OG 3.07Å; L51-S54 WeakPolarHBondContact CA-OG 3.44Å; L51-S54 PolarHBondContact O-OG 2.89Å; S54-A58 PolarHBondContact O-N 3.4Å |
| 55 | A | 50.9 | Low | 50.9 | Low | 62 Ų | 62 | 120.4 Ų | 120.4 | 51% | 0.512 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -71.5 | -41.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L51 Q52 | L51-A55 PolarHBondContact O-N 2.83Å; Q52-A55 PolarHBondContact O-N 3.41Å |
| 56 | T | 52.1 | Low | 50.5 | Low | 99 Ų | 99 | 117.9 Ų | 117.9 | 61% | 0.607 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -79.6 | -27.4 | 178 | 51.6 | 0 | 0 | 0 | 0 | 113.8 | Q52 G53 E59 | Q52-T56 PolarHBondContact O-N 3.37Å; Q52-T56 PolarHBondContact O-OG1 3.05Å; G53-T56 PolarHBondContact O-OG1 2.74Å; T56-E59 PolarHBondContact O-N 3.41Å |
| 57 | A | 45.5 | Very low | 50 | Low | 45 Ų | 45 | 113.5 Ų | 113.5 | 37% | 0.372 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -73.6 | -26.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G53 E59 A60 Q61 | G53-A57 WeakPolarHBondContact O-CB 3.19Å; G53-A57 PolarHBondContact O-N 3.49Å; A57-E59 VanDerWaalsContact C-N 3.28Å; A57-E59 PolarHBondContact O-N 2.83Å; A57-A60 PolarHBondContact O-N 3.46Å; A57-Q61 WeakPolarHBondContact O-CG 3.38Å |
| 58 | A | 47.5 | Very low | 49.2 | Very low | 66 Ų | 66 | 118.4 Ų | 118.4 | 55% | 0.545 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -66.5 | -31.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S54 | S54-A58 PolarHBondContact O-N 3.4Å |
| 59 | E | 49.1 | Very low | 48.1 | Very low | 169 Ų | 169 | 113.7 Ų | 113.7 | 79% | 0.79 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -80.6 | -23.1 | 179.1 | -54.5 | -139.8 | 116.1 | 0 | 0 | 112.9 | T56 A57 | T56-E59 PolarHBondContact O-N 3.41Å; A57-E59 VanDerWaalsContact C-N 3.28Å; A57-E59 PolarHBondContact O-N 2.83Å |
| 60 | A | 45.2 | Very low | 47.3 | Very low | 57 Ų | 57 | 116 Ų | 116 | 47% | 0.471 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -86 | -10.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A57 H64 | A57-A60 PolarHBondContact O-N 3.46Å; A60-H64 PolarHBondContact O-ND1 3.43Å |
| 61 | Q | 48.1 | Very low | 46.8 | Very low | 155 Ų | 155 | 112.5 Ų | 112.5 | 72% | 0.724 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -2.4 | -176.8 | -73.8 | -169.6 | 0.2 | 0 | 0 | 114.8 | A57 G63 | A57-Q61 WeakPolarHBondContact O-CG 3.38Å; Q61-G63 VanDerWaalsContact C-N 3.33Å |
| 62 | V | 47.9 | Very low | 45.7 | Very low | 138 Ų | 138 | 110.2 Ų | 110.2 | 84% | 0.836 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -12.3 | 173.7 | 175 | 0 | 0 | 0 | 0 | 112.7 | | |
| 63 | G | 48.5 | Very low | 45.4 | Very low | 60 Ų | 60 | 109.9 Ų | 109.9 | 62% | 0.619 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -98.4 | -10 | -171.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | Q61 | Q61-G63 VanDerWaalsContact C-N 3.33Š|
| 64 | H | 44.3 | Very low | 44.7 | Very low | 162 Ų | 162 | 113 Ų | 113 | 75% | 0.75 | 71% | 0.714 | S | S | * | * | | | trans | -122.3 | 23.3 | -160.2 | -62 | 101 | 0 | 0 | 0 | 116.4 | A60 T66 | A60-H64 PolarHBondContact O-ND1 3.43Å; H64-T66 VanDerWaalsContact C-N 3.33Å; H64-T66 PolarHBondContact O-N 2.92Å |
| 65 | Q | 46.1 | Very low | 44.3 | Very low | 191 Ų | 191 | 118.2 Ų | 118.2 | 89% | 0.893 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -92.3 | 29 | 173.4 | -76.8 | -153.5 | 79.5 | 0 | 0 | 114.6 | | |
| 66 | T | 46.4 | Very low | 43.8 | Very low | 138 Ų | 138 | 123 Ų | 123 | 85% | 0.847 | 74% | 0.743 | S | S | * | * | | | trans | -144.6 | 87.3 | 170.5 | -53.1 | 0 | 0 | 0 | 0 | 111 | H64 | H64-T66 VanDerWaalsContact C-N 3.33Å; H64-T66 PolarHBondContact O-N 2.92Å |
| 67 | A | 41.3 | Very low | 43 | Very low | 89 Ų | 89 | 126.5 Ų | 126.5 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | | | trans | 175.9 | 107.7 | 135.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 68 | R | 38.1 | Very low | 42.5 | Very low | 242 Ų | 242 | 128 Ų | 128 | 91% | 0.913 | 77% | 0.771 | S | S | * | * | | | trans | 61 | 108.3 | 133.9 | -65.6 | -174.9 | 176.2 | 177.4 | -0.7 | 120.2 | | |
| 69 | A | 33.4 | Very low | 42.5 | Very low | 94 Ų | 94 | 131.3 Ų | 131.3 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | | | | 51.4 | 101.7 | 117.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 70 | A | 38.1 | Very low | 42 | Very low | 98 Ų | 98 | 127.8 Ų | 127.8 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | | | | 28.9 | 168 | 126.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 71 | P | 44.6 | Very low | 41.4 | Very low | 129 Ų | 129 | 130 Ų | 130 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | | | | -137.5 | 167.1 | -55.7 | 39 | -22.6 | 0 | 0 | 0 | 113.5 | | |
| 72 | G | 32 | Very low | 40.7 | Very low | 75 Ų | 75 | 127.9 Ų | 127.9 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | | | trans | 116.7 | 141 | 143.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 73 | P | 48.3 | Very low | 40.4 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | | | trans | -98.9 | 154.5 | -169.6 | 39 | -32.5 | 0 | 0 | 0 | 114 | | |
| 74 | A | 38.5 | Very low | 39.6 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | | | trans | -123.5 | 119.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 75 | Q | 44.2 | Very low | 39 | Very low | 180 Ų | 180 | 132.5 Ų | 132.5 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | | | trans | -103.3 | 125.1 | 177.8 | -143.6 | -125.8 | 91.5 | 0 | 0 | 107.4 | | |
| 76 | Q | 40.8 | Very low | 38.6 | Very low | 164 Ų | 164 | 129 Ų | 129 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | | | trans | -147 | 105.9 | 169.7 | -65.3 | -169.3 | 34.8 | 0 | 0 | 108 | | |
| 77 | Q | 35.6 | Very low | 38.7 | Very low | 171 Ų | 171 | 128.3 Ų | 128.3 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | | | | 68 | 104.8 | 98.2 | -74.2 | 168.8 | -63 | 0 | 0 | 114.3 | | |
| 78 | G | 34.1 | Very low | 38.3 | Very low | 76 Ų | 76 | 128.3 Ų | 128.3 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | | | | 107.7 | 155.9 | 94.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 79 | P | 48.8 | Very low | 38.7 | Very low | 136 Ų | 136 | 122.8 Ų | 122.8 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | | | cis | -138.2 | 171.3 | 37.2 | 38.5 | -18.4 | 0 | 0 | 0 | 117 | | |
| 80 | A | 37.4 | Very low | 38.9 | Very low | 95 Ų | 95 | 124.6 Ų | 124.6 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | | | trans | -80.2 | 149.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 81 | A | 33 | Very low | 39.4 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | | | trans | -126.5 | 115.7 | 153.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 82 | C | 33.3 | Very low | 39.1 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | | | trans | -69.2 | 138.4 | 169.8 | -54 | 0 | 0 | 0 | 0 | 109.1 | | |
| 83 | Q | 40.8 | Very low | 39.9 | Very low | 194 Ų | 194 | 127.5 Ų | 127.5 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | | | trans | -154.1 | 138.7 | 130.8 | -80.1 | -52.3 | 43.3 | 0 | 0 | 111.7 | | |
| 84 | H | 32.2 | Very low | 39.2 | Very low | 192 Ų | 192 | 124.2 Ų | 124.2 | 89% | 0.889 | 81% | 0.814 | S | S | * | * | | | trans | -90.2 | 139.3 | -176.1 | -160.9 | 94.9 | 0 | 0 | 0 | 109.2 | | |
| 85 | G | 30.9 | Very low | 39.9 | Very low | 71 Ų | 71 | 126.9 Ų | 126.9 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | | | trans | 153.6 | 101 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 86 | S | 38.9 | Very low | 39.7 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | trans | -126.1 | 140.8 | 153.9 | -80.2 | 0 | 0 | 0 | 0 | 105.8 | | |
| 87 | P | 49 | Very low | 39.6 | Very low | 124 Ų | 124 | 120.8 Ų | 120.8 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | | | | -148.2 | 143.8 | 77.6 | 34.4 | -14 | 0 | 0 | 0 | 117.6 | | |
| 88 | A | 31.9 | Very low | 39.8 | Very low | 90 Ų | 90 | 120.4 Ų | 120.4 | 74% | 0.744 | 81% | 0.808 | S | S | * | * | | | trans | 65.1 | 166.4 | 141.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 89 | P | 47.1 | Very low | 40 | Very low | 125 Ų | 125 | 123.9 Ų | 123.9 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | | | | -112.1 | 129.7 | -91.5 | 31.3 | -15.3 | 0 | 0 | 0 | 111.3 | | |
| 90 | T | 36.7 | Very low | 39.4 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | | | trans | -109.9 | 116.1 | 169.2 | -54.7 | 0 | 0 | 0 | 0 | 108.5 | A92 | T90-A92 VanDerWaalsContact C-N 3.33Å; T90-A92 PolarHBondContact O-N 3.26Å |
| 91 | L | 49 | Very low | 39.6 | Very low | 185 Ų | 185 | 129.8 Ų | 129.8 | 97% | 0.969 | 80% | 0.799 | S | S | * | * | | | trans | -51.5 | 97.5 | 165.2 | -77.5 | 158.3 | 0 | 0 | 0 | 108.8 | | |
| 92 | A | 38.3 | Very low | 40.1 | Very low | 84 Ų | 84 | 129.2 Ų | 129.2 | 69% | 0.694 | 80% | 0.795 | S | S | * | * | | | trans | -127.3 | 110.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | T90 G94 | T90-A92 VanDerWaalsContact C-N 3.33Å; T90-A92 PolarHBondContact O-N 3.26Å; A92-G94 PolarHBondContact O-N 2.8Å |
| 93 | G | 47.9 | Very low | 40.6 | Very low | 93 Ų | 93 | 127.4 Ų | 127.4 | 96% | 0.959 | 79% | 0.794 | S | S | * | * | | | trans | -56.6 | 100.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 94 | G | 35.5 | Very low | 40.5 | Very low | 66 Ų | 66 | 123.7 Ų | 123.7 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | | | trans | -92 | 115.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109 | A92 Q96 | A92-G94 PolarHBondContact O-N 2.8Å; G94-Q96 VanDerWaalsContact C-N 3.27Å; G94-Q96 PolarHBondContact O-N 2.83Å |
| 95 | V | 51.5 | Low | 41 | Very low | 155 Ų | 155 | 119.9 Ų | 119.9 | 94% | 0.939 | 78% | 0.782 | S | S | * | * | | | trans | -63.7 | 95.1 | 161.9 | 178.3 | 0 | 0 | 0 | 0 | 106.7 | G97 | V95-G97 PolarHBondContact O-N 2.96Š|
| 96 | Q | 41.1 | Very low | 41.4 | Very low | 149 Ų | 149 | 124.2 Ų | 124.2 | 70% | 0.696 | 79% | 0.788 | S | S | * | * | | | trans | -80.6 | 105.9 | -176.4 | -152.5 | 171.8 | 84.4 | 0 | 0 | 108.3 | G94 H98 | G94-Q96 VanDerWaalsContact C-N 3.27Å; G94-Q96 PolarHBondContact O-N 2.83Å; Q96-H98 PolarHBondContact O-N 2.95Å |
| 97 | G | 38.9 | Very low | 41.4 | Very low | 67 Ų | 67 | 124.4 Ų | 124.4 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | | | trans | -59.2 | 108.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V95 H99 | V95-G97 PolarHBondContact O-N 2.96Å; G97-H99 PolarHBondContact O-N 2.8Å |
| 98 | H | 39.7 | Very low | 41.1 | Very low | 163 Ų | 163 | 125.7 Ų | 125.7 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | -70.1 | 98.9 | 177.6 | -69.6 | -61.2 | 0 | 0 | 0 | 110.4 | Q96 R100 | Q96-H98 PolarHBondContact O-N 2.95Å; H98-R100 PolarHBondContact O-N 2.71Å |
| 99 | H | 37.8 | Very low | 41.4 | Very low | 148 Ų | 148 | 126.9 Ų | 126.9 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | | | trans | -60.3 | 118.4 | 150.2 | 66.3 | -74.8 | 0 | 0 | 0 | 107.2 | G97 T101 | G97-H99 PolarHBondContact O-N 2.8Å; H99-T101 VanDerWaalsContact C-N 3.27Å; H99-T101 PolarHBondContact CD2-OG1 3.33Å; H99-T101 PolarHBondContact NE2-OG1 3.17Å; H99-T101 VanDerWaalsContact NE2-OG1 3.17Å; H99-T101 PolarHBondContact O-N 3.5Å |
| 100 | R | 36.7 | Very low | 41.4 | Very low | 252 Ų | 252 | 126.5 Ų | 126.5 | 95% | 0.951 | 78% | 0.782 | S | S | * | * | | | trans | -76.4 | 79.7 | -175.5 | -153.8 | -178 | -157.8 | 173.6 | 6.6 | 109.2 | H98 | H98-R100 PolarHBondContact O-N 2.71Š|
| 101 | T | 40.9 | Very low | 41.5 | Very low | 103 Ų | 103 | 126.3 Ų | 126.3 | 63% | 0.632 | 78% | 0.783 | S | S | * | * | | | trans | -70.9 | 141.4 | 170.6 | -60.9 | 0 | 0 | 0 | 0 | 109.8 | H99 | H99-T101 VanDerWaalsContact C-N 3.27Å; H99-T101 PolarHBondContact CD2-OG1 3.33Å; H99-T101 PolarHBondContact NE2-OG1 3.17Å; H99-T101 VanDerWaalsContact NE2-OG1 3.17Å; H99-T101 PolarHBondContact O-N 3.5Å |
| 102 | A | 44.3 | Very low | 41.6 | Very low | 93 Ų | 93 | 121.5 Ų | 121.5 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -45.2 | 136 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 103 | G | 43.8 | Very low | 41.7 | Very low | 71 Ų | 71 | 121.6 Ų | 121.6 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | | | trans | 51.7 | 84.3 | 149.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | P105 | G103-P105 WeakPolarHBondContact O-CD 2.88Š|
| 104 | S | 37.8 | Very low | 41.4 | Very low | 116 Ų | 116 | 121.1 Ų | 121.1 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | | | trans | -65.6 | 118.3 | 157 | -67.6 | 0 | 0 | 0 | 0 | 109.5 | L106 | S104-L106 PolarHBondContact O-N 3.35Š|
| 105 | P | 44 | Very low | 41.6 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | -73.4 | 119.5 | 160.7 | 29.9 | -27.8 | 0 | 0 | 0 | 107.7 | G103 C107 | G103-P105 WeakPolarHBondContact O-CD 2.88Å; P105-C107 PolarHBondContact O-N 3.06Å |
| 106 | L | 39.4 | Very low | 41.5 | Very low | 163 Ų | 163 | 121 Ų | 121 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | | | trans | -63.7 | 104.8 | 169.8 | -76.2 | 161.1 | 0 | 0 | 0 | 108.2 | S104 L108 | S104-L106 PolarHBondContact O-N 3.35Å; L106-L108 PolarHBondContact O-N 2.72Å; L106-L108 VanDerWaalsContact O-N 3.12Å |
| 107 | C | 38.6 | Very low | 41.5 | Very low | 121 Ų | 121 | 119.2 Ų | 119.2 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -72 | 98.8 | 163.4 | -69.6 | 0 | 0 | 0 | 0 | 107.6 | P105 | P105-C107 PolarHBondContact O-N 3.06Š|
| 108 | L | 41.9 | Very low | 42.1 | Very low | 151 Ų | 151 | 121 Ų | 121 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 125.4 | 164.7 | -75.6 | 157.9 | 0 | 0 | 0 | 107.6 | L106 T110 | L106-L108 PolarHBondContact O-N 2.72Å; L106-L108 VanDerWaalsContact O-N 3.12Å; L108-T110 PolarHBondContact O-N 2.95Å |
| 109 | P | 39.5 | Very low | 42.2 | Very low | 115 Ų | 115 | 116.2 Ų | 116.2 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 123 | 170.3 | 26.7 | -30.2 | 0 | 0 | 0 | 108.9 | | |
| 110 | T | 45.8 | Very low | 42.5 | Very low | 116 Ų | 116 | 114.3 Ų | 114.3 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 127.5 | 169.4 | -56.9 | 0 | 0 | 0 | 0 | 108.8 | L108 G112 | L108-T110 PolarHBondContact O-N 2.95Å; T110-G112 PolarHBondContact O-N 3.22Å |
| 111 | P | 38.8 | Very low | 42.7 | Very low | 129 Ų | 129 | 107.1 Ų | 107.1 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 121 | 174 | -14.1 | 27.5 | 0 | 0 | 0 | 109.4 | | |
| 112 | G | 50.8 | Low | 42.9 | Very low | 84 Ų | 84 | 107.5 Ų | 107.5 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 109.7 | 19.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 118 | T110 | T110-G112 PolarHBondContact O-N 3.22Š|
| 113 | A | 41.3 | Very low | 42.9 | Very low | 87 Ų | 87 | 110.4 Ų | 110.4 | 72% | 0.719 | 77% | 0.773 | S | S | * | * | | | trans | -97.5 | 119.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 114 | A | 41.9 | Very low | 42.8 | Very low | 82 Ų | 82 | 117.9 Ų | 117.9 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | | | trans | -62.5 | 147.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | G116 | A114-G116 PolarHBondContact O-N 2.82Š|
| 115 | P | 38.7 | Very low | 43 | Very low | 140 Ų | 140 | 122.8 Ų | 122.8 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 115.5 | -175.7 | 28.7 | -31.8 | 0 | 0 | 0 | 110 | | |
| 116 | G | 50.4 | Low | 43 | Very low | 79 Ų | 79 | 122.2 Ų | 122.2 | 81% | 0.814 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 136.8 | -7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | A114 | A114-G116 PolarHBondContact O-N 2.82Š|
| 117 | S | 41 | Very low | 43.2 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | trans | -88.3 | 114.4 | 171.8 | -75 | 0 | 0 | 0 | 0 | 110.3 | G119 | S117-G119 VanDerWaalsContact C-N 3.27Å; S117-G119 PolarHBondContact O-N 2.77Å |
| 118 | A | 52.2 | Low | 43.4 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | | | trans | -57.8 | 93.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | S120 | A118-S120 PolarHBondContact O-N 2.94Å; A118-S120 VanDerWaalsContact O-N 3.1Å |
| 119 | G | 40.2 | Very low | 43.7 | Very low | 63 Ų | 63 | 128.2 Ų | 128.2 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | | | trans | -57.5 | 116.7 | 176 | 0 | 0 | 0 | 0 | 0 | 108.7 | S117 C121 | S117-G119 VanDerWaalsContact C-N 3.27Å; S117-G119 PolarHBondContact O-N 2.77Å; G119-C121 VanDerWaalsContact C-N 3.34Å; G119-C121 PolarHBondContact O-N 2.93Å |
| 120 | S | 45.5 | Very low | 44 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | trans | -61.7 | 97.2 | 171.4 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | A118 S122 | A118-S120 PolarHBondContact O-N 2.94Å; A118-S120 VanDerWaalsContact O-N 3.1Å; S120-S122 VanDerWaalsContact C-N 3.33Å; S120-S122 PolarHBondContact O-N 2.91Å |
| 121 | C | 41.1 | Very low | 43.6 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 68% | 0.676 | 78% | 0.777 | S | S | * | * | | | trans | -68.8 | 89.9 | 174.4 | -88.6 | 0 | 0 | 0 | 0 | 109.2 | G119 H123 | G119-C121 VanDerWaalsContact C-N 3.34Å; G119-C121 PolarHBondContact O-N 2.93Å; C121-H123 VanDerWaalsContact C-N 3.33Å; C121-H123 PolarHBondContact O-CD2 3Å; C121-H123 PolarHBondContact O-N 3.07Å |
| 122 | S | 43.6 | Very low | 44 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | -68.5 | 92.7 | 167 | -76.3 | 0 | 0 | 0 | 0 | 109.5 | S120 R124 | S120-S122 VanDerWaalsContact C-N 3.33Å; S120-S122 PolarHBondContact O-N 2.91Å; S122-R124 VanDerWaalsContact C-N 3.35Å; S122-R124 PolarHBondContact O-N 2.92Å |
| 123 | H | 44.4 | Very low | 43.3 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | | | trans | -69 | 89.1 | 172.4 | -74.6 | -82.6 | 0 | 0 | 0 | 110.3 | C121 R125 | C121-H123 VanDerWaalsContact C-N 3.33Å; C121-H123 PolarHBondContact O-CD2 3Å; C121-H123 PolarHBondContact O-N 3.07Å; H123-R125 PolarHBondContact O-N 3.39Å |
| 124 | R | 41 | Very low | 43.2 | Very low | 228 Ų | 228 | 141.1 Ų | 141.1 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | trans | -75.9 | 81.7 | 163.3 | -160.4 | 179.2 | -115.9 | -120.1 | 3.2 | 108.2 | S122 V126 | S122-R124 VanDerWaalsContact C-N 3.35Å; S122-R124 PolarHBondContact O-N 2.92Å; R124-V126 PolarHBondContact O-N 2.92Å |
| 125 | R | 42.5 | Very low | 43.1 | Very low | 220 Ų | 220 | 146.5 Ų | 146.5 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | | | trans | -65.2 | 97.1 | 167 | -84.7 | -168.1 | -77.6 | -118.5 | -0.7 | 108.1 | H123 R127 | H123-R125 PolarHBondContact O-N 3.39Å; R125-R127 VanDerWaalsContact C-N 3.27Å; R125-R127 PolarHBondContact O-N 3.17Å |
| 126 | V | 44.3 | Very low | 43.2 | Very low | 99 Ų | 99 | 151.1 Ų | 151.1 | 60% | 0.6 | 79% | 0.786 | S | S | * | * | | | trans | -71.2 | 93.7 | 163.1 | -170.4 | 0 | 0 | 0 | 0 | 106.2 | R124 W128 | R124-V126 PolarHBondContact O-N 2.92Å; V126-W128 PolarHBondContact O-N 2.94Å; V126-W128 VanDerWaalsContact O-N 3.09Å |
| 127 | R | 44.7 | Very low | 42.6 | Very low | 232 Ų | 232 | 150.1 Ų | 150.1 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | | | trans | -69.3 | 102 | 170 | -173.5 | -175 | -117.5 | -142.6 | 1.9 | 106.2 | R125 P129 | R125-R127 VanDerWaalsContact C-N 3.27Å; R125-R127 PolarHBondContact O-N 3.17Å; R127-P129 VanDerWaalsContact O-CD 3.29Å; R127-P129 WeakPolarHBondContact O-CD 3.21Å |
| 128 | W | 41.3 | Very low | 42.3 | Very low | 220 Ų | 220 | 150.1 Ų | 150.1 | 83% | 0.833 | 78% | 0.782 | S | S | * | * | | | trans | -58.9 | 118.7 | 164.5 | -64.1 | 96.7 | 0 | 0 | 0 | 107.2 | V126 R130 | V126-W128 PolarHBondContact O-N 2.94Å; V126-W128 VanDerWaalsContact O-N 3.09Å; W128-R130 PolarHBondContact O-N 3.41Å |
| 129 | P | 48 | Very low | 41.6 | Very low | 109 Ų | 109 | 148.6 Ų | 148.6 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | | | trans | -59.3 | 130.4 | 167.5 | 24.7 | -28.6 | 0 | 0 | 0 | 106.1 | R127 G131 | R127-P129 VanDerWaalsContact O-CD 3.29Å; R127-P129 WeakPolarHBondContact O-CD 3.21Å; P129-G131 VanDerWaalsContact C-N 3.31Å; P129-G131 PolarHBondContact O-N 2.88Å |
| 130 | R | 45.9 | Very low | 41.4 | Very low | 229 Ų | 229 | 148.5 Ų | 148.5 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | trans | -47.7 | 103.6 | 166 | -97.8 | 173.9 | 153.5 | 156.3 | -7.3 | 106.7 | W128 H132 | W128-R130 PolarHBondContact O-N 3.41Å; R130-H132 VanDerWaalsContact C-N 3.34Å; R130-H132 PolarHBondContact O-CD2 2.99Å; R130-H132 PolarHBondContact O-N 3.31Å; R130-H132 PolarHBondContact O-NE2 2.88Å |
| 131 | G | 38.5 | Very low | 41.3 | Very low | 68 Ų | 68 | 149.7 Ų | 149.7 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | trans | -68 | 98.9 | 173 | 0 | 0 | 0 | 0 | 0 | 107.1 | P129 L133 | P129-G131 VanDerWaalsContact C-N 3.31Å; P129-G131 PolarHBondContact O-N 2.88Å; G131-L133 PolarHBondContact O-N 3.05Å |
| 132 | H | 45.7 | Very low | 41.1 | Very low | 157 Ų | 157 | 150.8 Ų | 150.8 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -62.2 | 91.1 | 154.4 | -38.7 | -82.2 | 0 | 0 | 0 | 105.2 | R130 F134 | R130-H132 VanDerWaalsContact C-N 3.34Å; R130-H132 PolarHBondContact O-CD2 2.99Å; R130-H132 PolarHBondContact O-N 3.31Å; R130-H132 PolarHBondContact O-NE2 2.88Å; H132-F134 PolarHBondContact O-N 3.32Å |
| 133 | L | 37.8 | Very low | 41 | Very low | 171 Ų | 171 | 158 Ų | 158 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | | | trans | -69.8 | 91.6 | 163.4 | -99.9 | 156.8 | 0 | 0 | 0 | 105.8 | G131 Q135 | G131-L133 PolarHBondContact O-N 3.05Å; L133-Q135 PolarHBondContact O-N 3.12Å |
| 134 | F | 37.6 | Very low | 40.5 | Very low | 178 Ų | 178 | 154 Ų | 154 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | | | trans | -39 | 120.4 | 151.1 | -87.5 | -100.7 | 0 | 0 | 0 | 107.8 | H132 R136 | H132-F134 PolarHBondContact O-N 3.32Å; F134-R136 PolarHBondContact O-N 3.3Å |
| 135 | Q | 40.3 | Very low | 40.4 | Very low | 194 Ų | 194 | 152 Ų | 152 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | | | trans | -57.8 | 95.9 | 154.6 | -99.5 | -150.2 | 91.3 | 0 | 0 | 106.6 | L133 G137 | L133-Q135 PolarHBondContact O-N 3.12Å; Q135-G137 PolarHBondContact O-N 3.05Å |
| 136 | R | 40.8 | Very low | 40.3 | Very low | 238 Ų | 238 | 147.5 Ų | 147.5 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | | | trans | -75.8 | 87.9 | 164 | -160.1 | 178.5 | -146.4 | 177.8 | 6 | 105.9 | F134 A138 | F134-R136 PolarHBondContact O-N 3.3Å; R136-A138 PolarHBondContact O-N 2.8Å |
| 137 | G | 37.7 | Very low | 39.9 | Very low | 57 Ų | 57 | 146.3 Ų | 146.3 | 59% | 0.588 | 81% | 0.808 | S | S | * | * | | | trans | -52.2 | 132.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q135 G139 | Q135-G137 PolarHBondContact O-N 3.05Å; G137-G139 PolarHBondContact O-N 3.1Å |
| 138 | A | 35.8 | Very low | 39.4 | Very low | 112 Ų | 112 | 139 Ų | 139 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | | | trans | -67 | 79.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109 | R136 | R136-A138 PolarHBondContact O-N 2.8Š|
| 139 | G | 35.9 | Very low | 39.4 | Very low | 72 Ų | 72 | 137 Ų | 137 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | | | trans | -82.1 | 112 | 157.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | G137 | G137-G139 PolarHBondContact O-N 3.1Š|
| 140 | G | 37.7 | Very low | 39.3 | Very low | 61 Ų | 61 | 137.4 Ų | 137.4 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | | | trans | -64.2 | 168.1 | 171 | 0 | 0 | 0 | 0 | 0 | 111.9 | S142 | G140-S142 PolarHBondContact O-N 3.23Š|
| 141 | P | 41.7 | Very low | 39.1 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | | | trans | -76.1 | 117.5 | -179.9 | 31.2 | -29.4 | 0 | 0 | 0 | 108.8 | | |
| 142 | S | 37.4 | Very low | 38.8 | Very low | 124 Ų | 124 | 133 Ų | 133 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | | | trans | -124.2 | 103 | 162.8 | -71.6 | 0 | 0 | 0 | 0 | 108.6 | G140 | G140-S142 PolarHBondContact O-N 3.23Š|
| 143 | R | 41.8 | Very low | 38.2 | Very low | 263 Ų | 263 | 129.4 Ų | 129.4 | 99% | 0.992 | 82% | 0.817 | S | S | * | * | | | trans | -76.7 | 118.4 | 171.8 | -166.5 | -179.2 | -177.2 | -177 | 0.3 | 106.3 | | |
| 144 | G | 34.1 | Very low | 38.4 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | | | trans | 137.6 | 103.8 | 162 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 145 | Q | 38.4 | Very low | 38.6 | Very low | 184 Ų | 184 | 130.9 Ų | 130.9 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | | | trans | 57.3 | 134.5 | 140 | -74.6 | -113 | -5.2 | 0 | 0 | 121.9 | | |
| 146 | P | 41.3 | Very low | 38.4 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | -88.2 | 117.7 | 164.8 | 34.2 | -24.8 | 0 | 0 | 0 | 109.9 | | |
| 147 | G | 34.7 | Very low | 38.6 | Very low | 74 Ų | 74 | 122.2 Ų | 122.2 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | | | trans | -144 | 131.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 148 | G | 35.3 | Very low | 38.4 | Very low | 78 Ų | 78 | 128.6 Ų | 128.6 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | trans | -58.6 | 161.1 | -164.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 149 | Q | 41.6 | Very low | 38.8 | Very low | 179 Ų | 179 | 129.3 Ų | 129.3 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | | | trans | -49.2 | 151 | 157.6 | -137.2 | 172.1 | -43.9 | 0 | 0 | 110.9 | | |
| 150 | P | 44.6 | Very low | 39 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | | | | -146.4 | 176.7 | 84.6 | 32.3 | -10.8 | 0 | 0 | 0 | 115.9 | | |
| 151 | C | 41.5 | Very low | 39 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -45 | 153.4 | -175.1 | -48.4 | 0 | 0 | 0 | 0 | 118.5 | | |
| 152 | G | 32.8 | Very low | 39 | Very low | 82 Ų | 82 | 137.4 Ų | 137.4 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | | | trans | 165.1 | 125.6 | 153.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 153 | G | 33.8 | Very low | 39.1 | Very low | 82 Ų | 82 | 143.1 Ų | 143.1 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | | | trans | 111.3 | 89.3 | 149.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 154 | R | 40.6 | Very low | 39 | Very low | 246 Ų | 246 | 137.2 Ų | 137.2 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | | | trans | -59.7 | 139.3 | 157.4 | -67.7 | 177.7 | 175.7 | -159.2 | -1 | 110.4 | | |
| 155 | V | 43.2 | Very low | 39.6 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | | | trans | -156.6 | 117.3 | 130.7 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 156 | C | 36.2 | Very low | 40.1 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -87 | 130.6 | 163.6 | -64.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 157 | P | 43.6 | Very low | 40.2 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 126.6 | 166.2 | 27.7 | -27.8 | 0 | 0 | 0 | 110.7 | | |
| 158 | R | 34.7 | Very low | 40.4 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 140.2 | 175 | 169.7 | 178.4 | 159.2 | 134.8 | -6.3 | 111.9 | E160 | R158-E160 IonicContact CZ-OE2 3.22Å; R158-E160 IonicContact NE-OE2 2.78Å; R158-E160 PolarHBondContact NE-OE2 2.9Å; R158-E160 IonicContact NH2-OE2 2.88Å; R158-E160 PolarHBondContact NH2-OE2 3.22Å |
| 159 | P | 44.4 | Very low | 41 | Very low | 127 Ų | 127 | 141.2 Ų | 141.2 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 116.3 | 169 | 31.1 | -26.7 | 0 | 0 | 0 | 108.8 | | |
| 160 | E | 40.3 | Very low | 41 | Very low | 154 Ų | 154 | 144.1 Ų | 144.1 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | | | trans | -106.4 | 136.1 | 168.5 | -108.2 | 178.8 | 82 | 0 | 0 | 111.6 | R158 | R158-E160 IonicContact CZ-OE2 3.22Å; R158-E160 IonicContact NE-OE2 2.78Å; R158-E160 PolarHBondContact NE-OE2 2.9Å; R158-E160 IonicContact NH2-OE2 2.88Å; R158-E160 PolarHBondContact NH2-OE2 3.22Å |
| 161 | A | 37.9 | Very low | 41.1 | Very low | 92 Ų | 92 | 142.9 Ų | 142.9 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | | | trans | -78.4 | 142.8 | -163.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 162 | Q | 41.3 | Very low | 41.6 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | | | trans | 19.9 | 114.3 | 137.7 | -159.2 | 166.6 | 20.1 | 0 | 0 | 117.9 | | |
| 163 | R | 38.3 | Very low | 42.2 | Very low | 244 Ų | 244 | 144.2 Ų | 144.2 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | | | trans | -139.2 | 102.6 | 155 | -113.7 | -178 | -178.2 | 149.5 | 0.6 | 109.9 | | |
| 164 | D | 41.3 | Very low | 42.5 | Very low | 139 Ų | 139 | 144.2 Ų | 144.2 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | | | trans | -71.6 | 142.5 | 141.1 | -134.7 | -59.8 | 0 | 0 | 0 | 106.1 | S166 | D164-S166 PolarHBondContact OD1-N 2.88Š|
| 165 | P | 47 | Very low | 42.8 | Very low | 97 Ų | 97 | 142.3 Ų | 142.3 | 63% | 0.63 | 81% | 0.806 | S | S | * | * | | | | -152.8 | 141.6 | 86.9 | 33.7 | -12.4 | 0 | 0 | 0 | 115.7 | Q167 | P165-Q167 PolarHBondContact O-N 2.9Š|
| 166 | S | 47.4 | Very low | 43 | Very low | 108 Ų | 108 | 147.1 Ų | 147.1 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | | | trans | -1.3 | 98.1 | 131.8 | -176.4 | 0 | 0 | 0 | 0 | 116.6 | D164 | D164-S166 PolarHBondContact OD1-N 2.88Š|
| 167 | Q | 43.3 | Very low | 43.3 | Very low | 183 Ų | 183 | 148.3 Ų | 148.3 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | | | trans | -152 | 95.3 | 153.2 | -73.8 | -161.3 | 75.7 | 0 | 0 | 111.1 | P165 | P165-Q167 PolarHBondContact O-N 2.9Š|
| 168 | S | 40.2 | Very low | 43.3 | Very low | 112 Ų | 112 | 149.4 Ų | 149.4 | 78% | 0.783 | 83% | 0.826 | S | S | * | * | | | trans | -78.9 | 149.5 | 142.7 | -172.3 | 0 | 0 | 0 | 0 | 106.4 | | |
| 169 | P | 47.2 | Very low | 43.8 | Very low | 115 Ų | 115 | 147.1 Ų | 147.1 | 75% | 0.747 | 83% | 0.832 | S | S | * | * | | | cis | -143.8 | 177.3 | 37.8 | 38.7 | -17.5 | 0 | 0 | 0 | 115.1 | | |
| 170 | R | 41.9 | Very low | 43.7 | Very low | 241 Ų | 241 | 148.3 Ų | 148.3 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | | | | 160.1 | 133.2 | 114.6 | -158.6 | 171.7 | -168.6 | -178.8 | 1.9 | 111.1 | | |
| 171 | A | 46.9 | Very low | 44 | Very low | 91 Ų | 91 | 147.9 Ų | 147.9 | 75% | 0.752 | 84% | 0.84 | S | S | * | * | | | trans | -72 | 148.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 172 | T | 51 | Low | 44.4 | Very low | 134 Ų | 134 | 151.7 Ų | 151.7 | 82% | 0.822 | 85% | 0.845 | S | S | * | * | | | trans | -143.4 | 102.6 | 154.4 | 33.4 | 0 | 0 | 0 | 0 | 103.4 | | |
| 173 | A | 45 | Very low | 44.6 | Very low | 98 Ų | 98 | 148.9 Ų | 148.9 | 81% | 0.81 | 84% | 0.842 | S | S | * | * | | | | 36.2 | 93.2 | 70 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 174 | G | 40.1 | Very low | 45.1 | Very low | 81 Ų | 81 | 141.5 Ų | 141.5 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | | | | 110.3 | 95 | 67.5 | 0 | 0 | 0 | 0 | 0 | 105.3 | | |
| 175 | E | 47.9 | Very low | 45.4 | Very low | 207 Ų | 207 | 141.8 Ų | 141.8 | 97% | 0.967 | 84% | 0.843 | S | S | * | * | | | trans | -99.4 | 123.8 | 176.9 | -103 | 164.1 | 75.6 | 0 | 0 | 108.4 | | |
| 176 | D | 46.6 | Very low | 45.2 | Very low | 234 Ų | 234 | 145.8 Ų | 145.8 | 100% | 1.251 | 86% | 0.863 | S | S | * | * | | | trans | -106.1 | 0 | 148.7 | -176.5 | -105.6 | 0 | 0 | 0 | 106.4 | | |