| 1 | M | 42.8 | Very low | 58.4 | Low | 245 Ų | 245 | 117.2 Ų | 117.2 | 100% | 1.207 | 69% | 0.689 | S | S | * | * | | | | 0 | 83.5 | 0 | -56 | -65.7 | -170.1 | 0 | 0 | 108.1 | | |
| 2 | G | 53.4 | Low | 59.9 | Low | 77 Ų | 77 | 117.4 Ų | 117.4 | 79% | 0.794 | 68% | 0.684 | S | S | * | * | | | trans | -80.7 | 118.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 3 | L | 57.3 | Low | 61.9 | Low | 164 Ų | 164 | 124.5 Ų | 124.5 | 86% | 0.859 | 69% | 0.692 | S | S | * | * | | | trans | -60.6 | 126.9 | 172.7 | -77.4 | 140.1 | 0 | 0 | 0 | 108.7 | V5 | L3-V5 PolarHBondContact O-N 3.44Š|
| 4 | P | 58.5 | Low | 63.8 | Low | 118 Ų | 118 | 122.1 Ų | 122.1 | 77% | 0.766 | 68% | 0.682 | S | S | * | * | | | trans | -65.8 | 108.7 | 175.5 | 26.5 | -30.9 | 0 | 0 | 0 | 107.3 | S6 | P4-S6 VanDerWaalsContact C-N 3.26Å; P4-S6 PolarHBondContact O-N 3.1Å |
| 5 | V | 54.6 | Low | 65.4 | Low | 142 Ų | 142 | 121.9 Ų | 121.9 | 86% | 0.861 | 68% | 0.678 | S | S | * | * | | | trans | -57.2 | 100.2 | 167.5 | 176.2 | 0 | 0 | 0 | 0 | 105.6 | L3 W7 | L3-V5 PolarHBondContact O-N 3.44Å; V5-W7 PolarHBondContact O-N 3.13Å |
| 6 | S | 57.3 | Low | 67 | Low | 79 Ų | 79 | 116.9 Ų | 116.9 | 55% | 0.552 | 66% | 0.663 | S | S | * | * | | | trans | -58.5 | 108.6 | -168.5 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | P4 A8 P9 | P4-S6 VanDerWaalsContact C-N 3.26Å; P4-S6 PolarHBondContact O-N 3.1Å; S6-A8 PolarHBondContact O-N 3.23Å; S6-A8 WeakPolarHBondContact OG-CB 3.38Å; S6-A8 PolarHBondContact OG-N 3.26Å; S6-P9 WeakPolarHBondContact O-CD 3.24Å |
| 7 | W | 54.7 | Low | 68.5 | Low | 233 Ų | 233 | 113.8 Ų | 113.8 | 88% | 0.883 | 65% | 0.649 | S | S | * | * | | | trans | -71.9 | 17 | 168.2 | -163.1 | -86.2 | 0 | 0 | 0 | 111.4 | V5 P10 | V5-W7 PolarHBondContact O-N 3.13Å; W7-P10 WeakPolarHBondContact O-CD 3.37Å |
| 8 | A | 56.5 | Low | 69.8 | Low | 35 Ų | 35 | 110.9 Ų | 110.9 | 29% | 0.289 | 64% | 0.637 | S | S | . | * | | | trans | -75 | -11.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | S6 L12 | S6-A8 PolarHBondContact O-N 3.23Å; S6-A8 WeakPolarHBondContact OG-CB 3.38Å; S6-A8 PolarHBondContact OG-N 3.26Å; A8-L12 HydrophobicContact CB-CD1 4.27Å; A8-L12 WeakPolarHBondContact O-CG 2.96Å; A8-L12 PolarHBondContact O-N 2.88Å |
| 9 | P | 64.8 | Low | 71 | Confident | 78 Ų | 78 | 108.2 Ų | 108.2 | 51% | 0.506 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -59.3 | -44.2 | -179.4 | 1.1 | -3.5 | 0 | 0 | 0 | 114.5 | S6 W13 | S6-P9 WeakPolarHBondContact O-CD 3.24Å; P9-W13 WeakPolarHBondContact O-CB 3.39Å; P9-W13 PolarHBondContact O-N 3.03Å; P9-W13 VanDerWaalsContact O-N 3.12Å |
| 10 | P | 69.5 | Low | 72.2 | Confident | 66 Ų | 66 | 109.3 Ų | 109.3 | 43% | 0.429 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -71.8 | -37.1 | -177 | 24.4 | -31.8 | 0 | 0 | 0 | 112.5 | W7 W13 V14 | W7-P10 WeakPolarHBondContact O-CD 3.37Å; P10-W13 PolarHBondContact O-N 3.26Å; P10-V14 VanDerWaalsContact O-CG2 3.24Å; P10-V14 WeakPolarHBondContact O-CG2 3.34Å; P10-V14 PolarHBondContact O-N 3.37Å |
| 11 | A | 73.2 | Confident | 73.2 | Confident | 52 Ų | 52 | 109.1 Ų | 109.1 | 43% | 0.43 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.6 | -44.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | W13 V14 L15 | A11-W13 VanDerWaalsContact C-N 3.32Å; A11-W13 PolarHBondContact O-N 3.14Å; A11-V14 PolarHBondContact O-N 3.12Å; A11-L15 WeakPolarHBondContact O-CD1 3.49Å; A11-L15 PolarHBondContact O-N 3.18Å |
| 12 | L | 76.2 | Confident | 75.6 | Confident | 120 Ų | 120 | 103 Ų | 103 | 63% | 0.628 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.9 | -37.3 | 177.2 | -67.2 | 172.1 | 0 | 0 | 0 | 112.1 | A8 L15 G16 | A8-L12 HydrophobicContact CB-CD1 4.27Å; A8-L12 WeakPolarHBondContact O-CG 2.96Å; A8-L12 PolarHBondContact O-N 2.88Å; L12-L15 PolarHBondContact O-N 3.36Å; L12-G16 PolarHBondContact O-N 3.26Å |
| 13 | W | 86.1 | Confident | 77.5 | Confident | 210 Ų | 210 | 102.8 Ų | 102.8 | 80% | 0.795 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.9 | -43.4 | 172.6 | -100.9 | 85.5 | 0 | 0 | 0 | 112.8 | P9 P10 A11 G16 C17 | P9-W13 WeakPolarHBondContact O-CB 3.39Å; P9-W13 PolarHBondContact O-N 3.03Å; P9-W13 VanDerWaalsContact O-N 3.12Å; P10-W13 PolarHBondContact O-N 3.26Å; A11-W13 VanDerWaalsContact C-N 3.32Å; A11-W13 PolarHBondContact O-N 3.14Å; W13-G16 PolarHBondContact O-N 2.98Å; W13-C17 VanDerWaalsContact O-CB 3.25Å; W13-C17 WeakPolarHBondContact O-CB 3.09Å; W13-C17 PolarHBondContact O-N 2.98Å |
| 14 | V | 88.8 | Confident | 79.2 | Confident | 90 Ų | 90 | 99.9 Ų | 99.9 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.9 | -43.4 | 176.9 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | P10 A11 C17 C18 | P10-V14 VanDerWaalsContact O-CG2 3.24Å; P10-V14 WeakPolarHBondContact O-CG2 3.34Å; P10-V14 PolarHBondContact O-N 3.37Å; A11-V14 PolarHBondContact O-N 3.12Å; V14-C17 PolarHBondContact O-N 3.24Å; V14-C18 WeakPolarHBondContact O-CB 3.32Å; V14-C18 PolarHBondContact O-N 3.37Å; V14-C18 PolarHBondContact O-SG 3.46Å |
| 15 | L | 87.4 | Confident | 80.8 | Confident | 119 Ų | 119 | 102.7 Ų | 102.7 | 62% | 0.623 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.6 | -43.2 | 175.3 | -87.6 | 117.1 | 0 | 0 | 0 | 112 | A11 L12 C18 A19 | A11-L15 WeakPolarHBondContact O-CD1 3.49Å; A11-L15 PolarHBondContact O-N 3.18Å; L12-L15 PolarHBondContact O-N 3.36Å; L15-C18 PolarHBondContact O-N 3.41Å; L15-A19 WeakPolarHBondContact O-CB 3.1Å; L15-A19 PolarHBondContact O-N 3.17Å |
| 16 | G | 91.4 | Very high | 82.4 | Confident | 42 Ų | 42 | 98.1 Ų | 98.1 | 43% | 0.433 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L12 W13 A19 L20 | L12-G16 PolarHBondContact O-N 3.26Å; W13-G16 PolarHBondContact O-N 2.98Å; G16-A19 PolarHBondContact O-N 2.98Å; G16-L20 WeakPolarHBondContact O-CB 3.33Å; G16-L20 PolarHBondContact O-N 3.19Å |
| 17 | C | 91.9 | Very high | 83.8 | Confident | 65 Ų | 65 | 99.2 Ų | 99.2 | 44% | 0.439 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 176 | -171.4 | 0 | 0 | 0 | 0 | 111.8 | W13 V14 A19 L20 L21 | W13-C17 VanDerWaalsContact O-CB 3.25Å; W13-C17 WeakPolarHBondContact O-CB 3.09Å; W13-C17 PolarHBondContact O-N 2.98Å; V14-C17 PolarHBondContact O-N 3.24Å; C17-A19 PolarHBondContact O-N 2.8Å; C17-L20 PolarHBondContact O-N 3.23Å; C17-L21 WeakPolarHBondContact O-CB 3.45Å; C17-L21 WeakPolarHBondContact O-CG 3.31Å; C17-L21 PolarHBondContact O-N 2.97Å |
| 18 | C | 91.2 | Very high | 85.1 | Confident | 62 Ų | 62 | 91 Ų | 91 | 42% | 0.419 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 174.3 | -75.7 | 0 | 0 | 0 | 0 | 111.4 | V14 L15 L20 L21 L22 | V14-C18 WeakPolarHBondContact O-CB 3.32Å; V14-C18 PolarHBondContact O-N 3.37Å; V14-C18 PolarHBondContact O-SG 3.46Å; L15-C18 PolarHBondContact O-N 3.41Å; C18-L20 VanDerWaalsContact C-N 3.34Å; C18-L20 PolarHBondContact O-N 2.89Å; C18-L21 PolarHBondContact O-N 3.11Å; C18-L22 VanDerWaalsContact O-CB 3.31Å; C18-L22 WeakPolarHBondContact O-CB 3.23Å; C18-L22 WeakPolarHBondContact O-CG 3.24Å; C18-L22 PolarHBondContact O-N 3.32Å |
| 19 | A | 93.3 | Very high | 86 | Confident | 59 Ų | 59 | 92.5 Ų | 92.5 | 49% | 0.488 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L15 G16 C17 S23 | L15-A19 WeakPolarHBondContact O-CB 3.1Å; L15-A19 PolarHBondContact O-N 3.17Å; G16-A19 PolarHBondContact O-N 2.98Å; C17-A19 PolarHBondContact O-N 2.8Å; A19-S23 WeakPolarHBondContact O-CB 3.29Å; A19-S23 PolarHBondContact O-N 2.88Å |
| 20 | L | 94.8 | Very high | 86.4 | Confident | 129 Ų | 129 | 91.7 Ų | 91.7 | 68% | 0.675 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.1 | -43.7 | 178 | -164.8 | 71.4 | 0 | 0 | 0 | 112.1 | G16 C17 C18 S23 L24 | G16-L20 WeakPolarHBondContact O-CB 3.33Å; G16-L20 PolarHBondContact O-N 3.19Å; C17-L20 PolarHBondContact O-N 3.23Å; C18-L20 VanDerWaalsContact C-N 3.34Å; C18-L20 PolarHBondContact O-N 2.89Å; L20-S23 PolarHBondContact O-N 3.34Å; L20-L24 WeakPolarHBondContact O-CB 3.34Å; L20-L24 PolarHBondContact O-N 2.91Å |
| 21 | L | 93.6 | Very high | 86.6 | Confident | 107 Ų | 107 | 93.3 Ų | 93.3 | 56% | 0.56 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.9 | -42.4 | 176.5 | -73.8 | 170.5 | 0 | 0 | 0 | 111.7 | C17 C18 L24 W25 | C17-L21 WeakPolarHBondContact O-CB 3.45Å; C17-L21 WeakPolarHBondContact O-CG 3.31Å; C17-L21 PolarHBondContact O-N 2.97Å; C18-L21 PolarHBondContact O-N 3.11Å; L21-L24 PolarHBondContact O-N 3.23Å; L21-W25 WeakPolarHBondContact O-CB 3.34Å; L21-W25 PolarHBondContact O-N 2.92Å |
| 22 | L | 92.5 | Very high | 86 | Confident | 115 Ų | 115 | 99.2 Ų | 99.2 | 60% | 0.602 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.6 | -39.7 | 176.1 | -71.2 | 171.4 | 0 | 0 | 0 | 111.6 | C18 W25 A26 | C18-L22 VanDerWaalsContact O-CB 3.31Å; C18-L22 WeakPolarHBondContact O-CB 3.23Å; C18-L22 WeakPolarHBondContact O-CG 3.24Å; C18-L22 PolarHBondContact O-N 3.32Å; L22-W25 PolarHBondContact O-N 3.26Å; L22-A26 VanDerWaalsContact O-CB 3.29Å; L22-A26 WeakPolarHBondContact O-CB 3.32Å; L22-A26 PolarHBondContact O-N 3.47Å |
| 23 | S | 93.4 | Very high | 84.6 | Confident | 74 Ų | 74 | 103.1 Ų | 103.1 | 52% | 0.517 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.3 | -47.1 | 174.7 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | A19 L20 W25 A26 L27 | A19-S23 WeakPolarHBondContact O-CB 3.29Å; A19-S23 PolarHBondContact O-N 2.88Å; L20-S23 PolarHBondContact O-N 3.34Å; S23-W25 VanDerWaalsContact C-N 3.31Å; S23-W25 PolarHBondContact O-N 2.82Å; S23-A26 PolarHBondContact O-N 3.21Å; S23-L27 VanDerWaalsContact O-CB 3.26Å; S23-L27 WeakPolarHBondContact O-CB 3.35Å; S23-L27 PolarHBondContact O-N 3.19Å |
| 24 | L | 93.1 | Very high | 83 | Confident | 102 Ų | 102 | 97.4 Ų | 97.4 | 53% | 0.534 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 176.5 | -174.9 | 63.5 | 0 | 0 | 0 | 111.5 | L20 L21 C28 | L20-L24 WeakPolarHBondContact O-CB 3.34Å; L20-L24 PolarHBondContact O-N 2.91Å; L21-L24 PolarHBondContact O-N 3.23Å; L24-C28 WeakPolarHBondContact O-CB 3.33Å; L24-C28 PolarHBondContact O-N 3.12Å; L24-C28 PolarHBondContact O-SG 3.07Å |
| 25 | W | 93 | Very high | 81.1 | Confident | 177 Ų | 177 | 102.1 Ų | 102.1 | 67% | 0.67 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.1 | -48.3 | 174.3 | -175.8 | 84.3 | 0 | 0 | 0 | 111.2 | L21 L22 S23 L27 C28 T29 | L21-W25 WeakPolarHBondContact O-CB 3.34Å; L21-W25 PolarHBondContact O-N 2.92Å; L22-W25 PolarHBondContact O-N 3.26Å; S23-W25 VanDerWaalsContact C-N 3.31Å; S23-W25 PolarHBondContact O-N 2.82Å; W25-L27 PolarHBondContact O-N 3.42Å; W25-C28 CarbonylContact O-C 3.53Å; W25-C28 WeakPolarHBondContact O-CB 3.26Å; W25-C28 PolarHBondContact O-N 3.32Å; W25-C28 VanDerWaalsContact O-N 3.17Å; W25-T29 HydrophobicContact CD2-CG2 4.03Å; W25-T29 HydrophobicContact CE3-CG2 4.28Å; W25-T29 HydrophobicContact CH2-CG2 4.21Å; W25-T29 HydrophobicContact CZ2-CG2 3.94Å; W25-T29 HydrophobicContact CZ3-CG2 4.37Å; W25-T29 WeakPolarHBondContact O-CG2 3.4Å; W25-T29 PolarHBondContact O-N 3.07Å; W25-T29 PolarHBondContact O-OG1 2.87Å |
| 26 | A | 87.3 | Confident | 79.1 | Confident | 47 Ų | 47 | 100.5 Ų | 100.5 | 39% | 0.388 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.4 | -46.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L22 S23 C28 T29 A30 | L22-A26 VanDerWaalsContact O-CB 3.29Å; L22-A26 WeakPolarHBondContact O-CB 3.32Å; L22-A26 PolarHBondContact O-N 3.47Å; S23-A26 PolarHBondContact O-N 3.21Å; A26-C28 VanDerWaalsContact C-N 3.34Å; A26-C28 PolarHBondContact O-N 3.27Å; A26-T29 WeakPolarHBondContact CA-OG1 3.33Å; A26-T29 CarbonylContact O-C 3.59Å; A26-T29 PolarHBondContact O-N 3.07Å; A26-T29 VanDerWaalsContact O-N 3.15Å; A26-T29 PolarHBondContact O-OG1 3.12Å; A26-A30 VanDerWaalsContact O-CB 3.3Å; A26-A30 WeakPolarHBondContact O-CB 3.39Å; A26-A30 PolarHBondContact O-N 3.42Å |
| 27 | L | 86.6 | Confident | 76.9 | Confident | 102 Ų | 102 | 102.8 Ų | 102.8 | 53% | 0.534 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.7 | -41 | 175.5 | -169.3 | 64.6 | 0 | 0 | 0 | 111.1 | S23 W25 T29 A30 C31 | S23-L27 VanDerWaalsContact O-CB 3.26Å; S23-L27 WeakPolarHBondContact O-CB 3.35Å; S23-L27 PolarHBondContact O-N 3.19Å; W25-L27 PolarHBondContact O-N 3.42Å; L27-T29 PolarHBondContact O-N 3.33Å; L27-A30 PolarHBondContact O-N 3.06Å; L27-C31 WeakPolarHBondContact O-CB 3.34Å; L27-C31 PolarHBondContact O-N 3.03Å; L27-C31 PolarHBondContact O-SG 3.19Å |
| 28 | C | 83 | Confident | 74.9 | Confident | 59 Ų | 59 | 106.5 Ų | 106.5 | 40% | 0.399 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.1 | -38.8 | 173.5 | -76.9 | 0 | 0 | 0 | 0 | 112 | L24 W25 A26 R32 | L24-C28 WeakPolarHBondContact O-CB 3.33Å; L24-C28 PolarHBondContact O-N 3.12Å; L24-C28 PolarHBondContact O-SG 3.07Å; W25-C28 CarbonylContact O-C 3.53Å; W25-C28 WeakPolarHBondContact O-CB 3.26Å; W25-C28 PolarHBondContact O-N 3.32Å; W25-C28 VanDerWaalsContact O-N 3.17Å; A26-C28 VanDerWaalsContact C-N 3.34Å; A26-C28 PolarHBondContact O-N 3.27Å; C28-R32 WeakPolarHBondContact O-CA 3.25Å; C28-R32 WeakPolarHBondContact O-CB 3.21Å; C28-R32 WeakPolarHBondContact O-CG 3.43Å; C28-R32 PolarHBondContact O-N 3.01Å |
| 29 | T | 74.5 | Confident | 72.8 | Confident | 67 Ų | 67 | 104.5 Ų | 104.5 | 41% | 0.411 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -72.5 | -31.1 | 176.4 | 59 | 0 | 0 | 0 | 0 | 112.6 | W25 A26 L27 R32 R33 | W25-T29 HydrophobicContact CD2-CG2 4.03Å; W25-T29 HydrophobicContact CE3-CG2 4.28Å; W25-T29 HydrophobicContact CH2-CG2 4.21Å; W25-T29 HydrophobicContact CZ2-CG2 3.94Å; W25-T29 HydrophobicContact CZ3-CG2 4.37Å; W25-T29 WeakPolarHBondContact O-CG2 3.4Å; W25-T29 PolarHBondContact O-N 3.07Å; W25-T29 PolarHBondContact O-OG1 2.87Å; A26-T29 WeakPolarHBondContact CA-OG1 3.33Å; A26-T29 CarbonylContact O-C 3.59Å; A26-T29 PolarHBondContact O-N 3.07Å; A26-T29 VanDerWaalsContact O-N 3.15Å; A26-T29 PolarHBondContact O-OG1 3.12Å; L27-T29 PolarHBondContact O-N 3.33Å; T29-R32 CarbonylContact O-C 3.25Å; T29-R32 VanDerWaalsContact O-C 3.25Å; T29-R33 WeakPolarHBondContact O-CA 3.18Å; T29-R33 PolarHBondContact O-N 2.86Å |
| 30 | A | 73.6 | Confident | 70.9 | Confident | 61 Ų | 61 | 106.7 Ų | 106.7 | 50% | 0.504 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -79 | -37.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A26 L27 R32 R33 | A26-A30 VanDerWaalsContact O-CB 3.3Å; A26-A30 WeakPolarHBondContact O-CB 3.39Å; A26-A30 PolarHBondContact O-N 3.42Å; L27-A30 PolarHBondContact O-N 3.06Å; A30-R32 VanDerWaalsContact C-N 3.33Å; A30-R33 WeakPolarHBondContact O-CB 3.31Å; A30-R33 PolarHBondContact O-N 3.37Å; A30-R33 VanDerWaalsContact O-N 3.12Å |
| 31 | C | 74.4 | Confident | 69 | Low | 101 Ų | 101 | 111.1 Ų | 111.1 | 68% | 0.682 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -75.7 | -24.7 | 171 | -64.3 | 0 | 0 | 0 | 0 | 111.8 | L27 R33 | L27-C31 WeakPolarHBondContact O-CB 3.34Å; L27-C31 PolarHBondContact O-N 3.03Å; L27-C31 PolarHBondContact O-SG 3.19Å; C31-R33 VanDerWaalsContact C-N 3.28Å |
| 32 | R | 59 | Low | 67.1 | Low | 175 Ų | 175 | 113.3 Ų | 113.3 | 66% | 0.66 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 15.7 | 164.9 | -65.7 | -171.2 | -178.2 | -172.3 | 5.7 | 112.5 | C28 T29 A30 P34 | C28-R32 WeakPolarHBondContact O-CA 3.25Å; C28-R32 WeakPolarHBondContact O-CB 3.21Å; C28-R32 WeakPolarHBondContact O-CG 3.43Å; C28-R32 PolarHBondContact O-N 3.01Å; T29-R32 CarbonylContact O-C 3.25Å; T29-R32 VanDerWaalsContact O-C 3.25Å; A30-R32 VanDerWaalsContact C-N 3.33Å; R32-P34 VanDerWaalsContact O-N 3.15Å |
| 33 | R | 48.1 | Very low | 65.3 | Low | 203 Ų | 203 | 114.4 Ų | 114.4 | 77% | 0.766 | 59% | 0.594 | S | S | * | * | | | trans | -50.4 | 128.1 | 172.2 | -172.2 | 176.4 | -166.1 | 168.7 | 2.4 | 106.5 | T29 A30 C31 E35 | T29-R33 WeakPolarHBondContact O-CA 3.18Å; T29-R33 PolarHBondContact O-N 2.86Å; A30-R33 WeakPolarHBondContact O-CB 3.31Å; A30-R33 PolarHBondContact O-N 3.37Å; A30-R33 VanDerWaalsContact O-N 3.12Å; C31-R33 VanDerWaalsContact C-N 3.28Å; R33-E35 PolarHBondContact O-N 2.88Å |
| 34 | P | 52.6 | Low | 63.6 | Low | 89 Ų | 89 | 113.2 Ų | 113.2 | 58% | 0.578 | 59% | 0.589 | S | S | * | * | | | trans | -75.4 | 80.1 | -165.6 | 31.9 | -35.6 | 0 | 0 | 0 | 109.2 | R32 D36 A37 | R32-P34 VanDerWaalsContact O-N 3.15Å; P34-D36 PolarHBondContact O-N 3.28Å; P34-A37 PolarHBondContact O-N 2.79Å |
| 35 | E | 48.3 | Very low | 62 | Low | 189 Ų | 189 | 117.7 Ų | 117.7 | 88% | 0.883 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 0 | 146.4 | -82.4 | -75.4 | 100.3 | 0 | 0 | 110.7 | R33 | R33-E35 PolarHBondContact O-N 2.88Š|
| 36 | D | 46.5 | Very low | 60.4 | Low | 85 Ų | 85 | 118.4 Ų | 118.4 | 46% | 0.455 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -122.6 | 50.7 | 170.4 | -65.9 | -56 | 0 | 0 | 0 | 111.3 | P34 V38 A39 | P34-D36 PolarHBondContact O-N 3.28Å; D36-V38 PolarHBondContact O-N 3.04Å; D36-A39 HydrophobicContact CB-CB 4.37Å; D36-A39 PolarHBondContact O-N 3.34Å |
| 37 | A | 44.7 | Very low | 59.1 | Low | 91 Ų | 91 | 122.7 Ų | 122.7 | 75% | 0.752 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -0.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 113 | P34 | P34-A37 PolarHBondContact O-N 2.79Š|
| 38 | V | 49.2 | Very low | 57.8 | Low | 142 Ų | 142 | 126.6 Ų | 126.6 | 86% | 0.861 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | -7.9 | 174 | 176.9 | 0 | 0 | 0 | 0 | 114.4 | D36 | D36-V38 PolarHBondContact O-N 3.04Š|
| 39 | A | 48.2 | Very low | 56.7 | Low | 20 Ų | 20 | 126.4 Ų | 126.4 | 17% | 0.165 | 62% | 0.623 | C | S | . | * | | | trans | -144.3 | 46.2 | -170.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | D36 R41 K42 | D36-A39 HydrophobicContact CB-CB 4.37Å; D36-A39 PolarHBondContact O-N 3.34Å; A39-R41 PolarHBondContact O-N 2.85Å; A39-R41 VanDerWaalsContact O-N 3.15Å; A39-K42 HydrophobicContact CB-CB 4.3Å; A39-K42 HydrophobicContact CB-CD 4.33Å; A39-K42 HydrophobicContact CB-CG 4.28Å; A39-K42 PolarHBondContact O-N 3.38Å |
| 40 | P | 52.1 | Low | 56 | Low | 106 Ų | 106 | 133 Ų | 133 | 69% | 0.688 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -60.9 | -21.5 | 165 | 25.4 | -30.9 | 0 | 0 | 0 | 112.7 | K42 | P40-K42 PolarHBondContact O-N 2.96Å |
| 41 | R | 55.5 | Low | 55.4 | Low | 221 Ų | 221 | 135.7 Ų | 135.7 | 83% | 0.834 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.1 | -30.4 | 176 | -70.8 | -175.9 | 176.9 | -172.5 | -0.2 | 113.9 | A39 R45 | A39-R41 PolarHBondContact O-N 2.85Å; A39-R41 VanDerWaalsContact O-N 3.15Å; R41-R45 WeakPolarHBondContact O-CB 3.4Å; R41-R45 PolarHBondContact O-N 2.91Å |
| 42 | K | 53.9 | Low | 54.7 | Low | 153 Ų | 153 | 137.5 Ų | 137.5 | 67% | 0.665 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -78.1 | -35.7 | -173.2 | -77 | -170.5 | 178.5 | -174.4 | 0 | 113.1 | A39 P40 R45 R46 | A39-K42 HydrophobicContact CB-CB 4.3Å; A39-K42 HydrophobicContact CB-CD 4.33Å; A39-K42 HydrophobicContact CB-CG 4.28Å; A39-K42 PolarHBondContact O-N 3.38Å; P40-K42 PolarHBondContact O-N 2.96Å; K42-R45 PolarHBondContact O-N 2.89Å; K42-R46 PolarHBondContact O-N 3.38Å |
| 43 | R | 54.9 | Low | 54.7 | Low | 138 Ų | 138 | 131 Ų | 131 | 52% | 0.521 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -73.6 | -39.7 | 177.6 | -68.2 | -171.8 | -173.2 | -150.4 | 4.6 | 112.2 | R45 R46 Q47 | R43-R45 VanDerWaalsContact C-N 3.29Å; R43-R45 PolarHBondContact O-N 3.21Å; R43-R46 PolarHBondContact O-N 2.88Å; R43-Q47 PolarHBondContact O-N 3.44Å |
| 44 | A | 57.2 | Low | 55.2 | Low | 50 Ų | 50 | 124.5 Ų | 124.5 | 41% | 0.413 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -61.6 | -37.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R48 | A44-R48 WeakPolarHBondContact O-CB 3.4Å; A44-R48 WeakPolarHBondContact O-CG 3.49Å; A44-R48 PolarHBondContact O-N 3.3Å |
| 45 | R | 59.2 | Low | 55.5 | Low | 195 Ų | 195 | 122.8 Ų | 122.8 | 74% | 0.736 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.7 | -40.6 | 173.1 | -171.3 | 175.8 | -177.6 | -97.9 | 2.9 | 112.8 | R41 K42 R43 R48 A49 | R41-R45 WeakPolarHBondContact O-CB 3.4Å; R41-R45 PolarHBondContact O-N 2.91Å; K42-R45 PolarHBondContact O-N 2.89Å; R43-R45 VanDerWaalsContact C-N 3.29Å; R43-R45 PolarHBondContact O-N 3.21Å; R45-R48 PolarHBondContact O-N 2.95Å; R45-A49 VanDerWaalsContact O-CB 3.22Å; R45-A49 WeakPolarHBondContact O-CB 3.17Å; R45-A49 PolarHBondContact O-N 2.82Å |
| 46 | R | 59.1 | Low | 56.2 | Low | 193 Ų | 193 | 118.2 Ų | 118.2 | 73% | 0.728 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.9 | -38 | 176.2 | -76.9 | -174.5 | -177.6 | -121.7 | 4.3 | 112.5 | K42 R43 A49 R50 | K42-R46 PolarHBondContact O-N 3.38Å; R43-R46 PolarHBondContact O-N 2.88Å; R46-A49 PolarHBondContact O-N 2.86Å; R46-R50 WeakPolarHBondContact O-CB 3.37Å; R46-R50 WeakPolarHBondContact O-CG 3.29Å; R46-R50 PolarHBondContact O-N 3.42Å |
| 47 | Q | 60.3 | Low | 56.7 | Low | 137 Ų | 137 | 116.8 Ų | 116.8 | 64% | 0.64 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.6 | -43.1 | 172.3 | -84 | -169.4 | -56.8 | 0 | 0 | 111.7 | R43 A49 R50 L51 | R43-Q47 PolarHBondContact O-N 3.44Å; Q47-A49 VanDerWaalsContact C-N 3.34Å; Q47-A49 PolarHBondContact O-N 3.14Å; Q47-R50 PolarHBondContact O-N 3.39Å; Q47-L51 WeakPolarHBondContact O-CB 3.45Å; Q47-L51 VanDerWaalsContact O-CG 3.26Å; Q47-L51 WeakPolarHBondContact O-CG 3.28Å; Q47-L51 PolarHBondContact O-N 2.84Å |
| 48 | R | 60 | Low | 57.5 | Low | 184 Ų | 184 | 115.2 Ų | 115.2 | 69% | 0.694 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62 | -39.3 | 172.9 | -77.7 | -176.6 | 175.6 | -155 | -1 | 112.5 | A44 R45 L51 Q52 | A44-R48 WeakPolarHBondContact O-CB 3.4Å; A44-R48 WeakPolarHBondContact O-CG 3.49Å; A44-R48 PolarHBondContact O-N 3.3Å; R45-R48 PolarHBondContact O-N 2.95Å; R48-L51 PolarHBondContact O-N 2.98Å; R48-Q52 VanDerWaalsContact O-CB 3.32Å; R48-Q52 WeakPolarHBondContact O-CB 3.22Å; R48-Q52 WeakPolarHBondContact O-CG 3.45Å; R48-Q52 PolarHBondContact O-N 3.48Å |
| 49 | A | 59.1 | Low | 58 | Low | 54 Ų | 54 | 115 Ų | 115 | 45% | 0.446 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.2 | -38.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R45 R46 Q47 G53 | R45-A49 VanDerWaalsContact O-CB 3.22Å; R45-A49 WeakPolarHBondContact O-CB 3.17Å; R45-A49 PolarHBondContact O-N 2.82Å; R46-A49 PolarHBondContact O-N 2.86Å; Q47-A49 VanDerWaalsContact C-N 3.34Å; Q47-A49 PolarHBondContact O-N 3.14Å; A49-G53 PolarHBondContact O-N 2.83Å |
| 50 | R | 60 | Low | 58.6 | Low | 206 Ų | 206 | 116.2 Ų | 116.2 | 78% | 0.777 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.7 | -41 | 173.4 | -79.8 | -173.8 | 179.2 | -106.1 | 3 | 111.9 | R46 Q47 G53 S54 | R46-R50 WeakPolarHBondContact O-CB 3.37Å; R46-R50 WeakPolarHBondContact O-CG 3.29Å; R46-R50 PolarHBondContact O-N 3.42Å; Q47-R50 PolarHBondContact O-N 3.39Å; R50-G53 PolarHBondContact O-N 3.44Å; R50-S54 PolarHBondContact O-N 2.86Å; R50-S54 PolarHBondContact O-OG 3.47Å |
| 51 | L | 61.4 | Low | 59.2 | Low | 118 Ų | 118 | 115.2 Ų | 115.2 | 62% | 0.618 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68 | -38.5 | 176 | -71.3 | 168 | 0 | 0 | 0 | 112.2 | Q47 R48 S54 A55 | Q47-L51 WeakPolarHBondContact O-CB 3.45Å; Q47-L51 VanDerWaalsContact O-CG 3.26Å; Q47-L51 WeakPolarHBondContact O-CG 3.28Å; Q47-L51 PolarHBondContact O-N 2.84Å; R48-L51 PolarHBondContact O-N 2.98Å; L51-S54 WeakPolarHBondContact CA-OG 3.26Å; L51-S54 PolarHBondContact O-OG 2.91Å; L51-A55 WeakPolarHBondContact O-CB 3.42Å; L51-A55 PolarHBondContact O-N 3.48Å |
| 52 | Q | 60.3 | Low | 59.5 | Low | 139 Ų | 139 | 107.7 Ų | 107.7 | 65% | 0.65 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.1 | -37.8 | 174.1 | -77.6 | -169.7 | -4.5 | 0 | 0 | 112.2 | R48 A55 T56 | R48-Q52 VanDerWaalsContact O-CB 3.32Å; R48-Q52 WeakPolarHBondContact O-CB 3.22Å; R48-Q52 WeakPolarHBondContact O-CG 3.45Å; R48-Q52 PolarHBondContact O-N 3.48Å; Q52-A55 PolarHBondContact O-N 3.37Å; Q52-T56 PolarHBondContact O-N 3.41Å; Q52-T56 PolarHBondContact O-OG1 3.25Å |
| 53 | G | 58.2 | Low | 59.9 | Low | 38 Ų | 38 | 103.2 Ų | 103.2 | 39% | 0.392 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.6 | -34.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A49 R50 T56 A57 | A49-G53 PolarHBondContact O-N 2.83Å; R50-G53 PolarHBondContact O-N 3.44Å; G53-T56 WeakPolarHBondContact CA-OG1 3.34Å; G53-T56 PolarHBondContact O-OG1 2.91Å; G53-A57 VanDerWaalsContact O-CB 3.28Å; G53-A57 WeakPolarHBondContact O-CB 3.45Å; G53-A57 PolarHBondContact O-N 2.89Å |
| 54 | S | 58.7 | Low | 60.2 | Low | 67 Ų | 67 | 106.1 Ų | 106.1 | 47% | 0.469 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -73 | -34.7 | 172.1 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | R50 L51 A58 | R50-S54 PolarHBondContact O-N 2.86Å; R50-S54 PolarHBondContact O-OG 3.47Å; L51-S54 WeakPolarHBondContact CA-OG 3.26Å; L51-S54 PolarHBondContact O-OG 2.91Å; S54-A58 WeakPolarHBondContact O-CB 3.45Å; S54-A58 PolarHBondContact O-N 3.39Å |
| 55 | A | 59.2 | Low | 60.3 | Low | 52 Ų | 52 | 110.2 Ų | 110.2 | 43% | 0.43 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.9 | -46.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L51 Q52 A57 A58 E59 | L51-A55 WeakPolarHBondContact O-CB 3.42Å; L51-A55 PolarHBondContact O-N 3.48Å; Q52-A55 PolarHBondContact O-N 3.37Å; A55-A57 VanDerWaalsContact C-N 3.34Å; A55-A57 PolarHBondContact O-N 2.9Å; A55-A58 PolarHBondContact O-N 2.94Å; A55-E59 VanDerWaalsContact O-CG 3.29Å; A55-E59 WeakPolarHBondContact O-CG 3.26Å; A55-E59 PolarHBondContact O-N 3.22Å |
| 56 | T | 61.6 | Low | 60.2 | Low | 94 Ų | 94 | 105.9 Ų | 105.9 | 58% | 0.577 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.2 | -32.8 | 176.2 | 44.5 | 0 | 0 | 0 | 0 | 113.1 | Q52 G53 A60 | Q52-T56 PolarHBondContact O-N 3.41Å; Q52-T56 PolarHBondContact O-OG1 3.25Å; G53-T56 WeakPolarHBondContact CA-OG1 3.34Å; G53-T56 PolarHBondContact O-OG1 2.91Å; T56-A60 VanDerWaalsContact O-CB 3.29Å; T56-A60 WeakPolarHBondContact O-CB 3.32Å; T56-A60 PolarHBondContact O-N 3.05Å |
| 57 | A | 58.7 | Low | 60.1 | Low | 54 Ų | 54 | 107.1 Ų | 107.1 | 45% | 0.446 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.2 | -41.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G53 A55 A60 V61 | G53-A57 VanDerWaalsContact O-CB 3.28Å; G53-A57 WeakPolarHBondContact O-CB 3.45Å; G53-A57 PolarHBondContact O-N 2.89Å; A55-A57 VanDerWaalsContact C-N 3.34Å; A55-A57 PolarHBondContact O-N 2.9Å; A57-A60 PolarHBondContact O-N 2.98Å; A57-V61 VanDerWaalsContact O-CG2 3.26Å; A57-V61 WeakPolarHBondContact O-CG2 3.15Å; A57-V61 PolarHBondContact O-N 3.44Å |
| 58 | A | 60.8 | Low | 59.4 | Low | 59 Ų | 59 | 102.7 Ų | 102.7 | 49% | 0.488 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.3 | -41.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | S54 A55 V61 S62 | S54-A58 WeakPolarHBondContact O-CB 3.45Å; S54-A58 PolarHBondContact O-N 3.39Å; A55-A58 PolarHBondContact O-N 2.94Å; A58-V61 PolarHBondContact O-N 2.85Å; A58-S62 VanDerWaalsContact O-CB 3.31Å; A58-S62 WeakPolarHBondContact O-CB 3.3Å; A58-S62 PolarHBondContact O-N 2.79Å |
| 59 | E | 60.4 | Low | 59 | Low | 138 Ų | 138 | 99.1 Ų | 99.1 | 65% | 0.645 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.7 | -40 | 174.4 | -68.8 | -66.3 | 127.5 | 0 | 0 | 111.7 | A55 S62 A63 | A55-E59 VanDerWaalsContact O-CG 3.29Å; A55-E59 WeakPolarHBondContact O-CG 3.26Å; A55-E59 PolarHBondContact O-N 3.22Å; E59-S62 PolarHBondContact O-N 3.46Å; E59-A63 VanDerWaalsContact O-CB 3.23Å; E59-A63 WeakPolarHBondContact O-CB 3.29Å; E59-A63 PolarHBondContact O-N 3.47Å |
| 60 | A | 60.6 | Low | 58.3 | Low | 45 Ų | 45 | 100.4 Ų | 100.4 | 37% | 0.372 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.1 | -35.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T56 A57 R64 | T56-A60 VanDerWaalsContact O-CB 3.29Å; T56-A60 WeakPolarHBondContact O-CB 3.32Å; T56-A60 PolarHBondContact O-N 3.05Å; A57-A60 PolarHBondContact O-N 2.98Å; A60-R64 WeakPolarHBondContact O-CB 3.12Å; A60-R64 WeakPolarHBondContact O-CD 3.46Å; A60-R64 WeakPolarHBondContact O-CG 3.05Å; A60-R64 PolarHBondContact O-N 3.44Å |
| 61 | V | 63.2 | Low | 57.7 | Low | 85 Ų | 85 | 102 Ų | 102 | 52% | 0.515 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.7 | -41.9 | 173.1 | 172.9 | 0 | 0 | 0 | 0 | 110.2 | A57 A58 R64 L65 | A57-V61 VanDerWaalsContact O-CG2 3.26Å; A57-V61 WeakPolarHBondContact O-CG2 3.15Å; A57-V61 PolarHBondContact O-N 3.44Å; A58-V61 PolarHBondContact O-N 2.85Å; V61-R64 PolarHBondContact O-N 2.89Å; V61-L65 HydrophobicContact CG1-CD1 3.89Å; V61-L65 HydrophobicContact CG1-CG 4.42Å; V61-L65 WeakPolarHBondContact O-CB 3.21Å; V61-L65 VanDerWaalsContact O-CG 3.24Å; V61-L65 WeakPolarHBondContact O-CG 3.37Å; V61-L65 PolarHBondContact O-N 3.31Å |
| 62 | S | 62.9 | Low | 56.7 | Low | 63 Ų | 63 | 99.5 Ų | 99.5 | 44% | 0.441 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.9 | -39 | 176.2 | -159.6 | 0 | 0 | 0 | 0 | 112.6 | A58 E59 L65 S66 | A58-S62 VanDerWaalsContact O-CB 3.31Å; A58-S62 WeakPolarHBondContact O-CB 3.3Å; A58-S62 PolarHBondContact O-N 2.79Å; E59-S62 PolarHBondContact O-N 3.46Å; S62-L65 PolarHBondContact O-N 2.9Å; S62-S66 WeakPolarHBondContact O-CB 3.21Å; S62-S66 PolarHBondContact O-N 2.89Å; S62-S66 PolarHBondContact O-OG 3.17Å |
| 63 | A | 61.6 | Low | 56 | Low | 59 Ų | 59 | 99.1 Ų | 99.1 | 49% | 0.488 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.8 | -34.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E59 R67 | E59-A63 VanDerWaalsContact O-CB 3.23Å; E59-A63 WeakPolarHBondContact O-CB 3.29Å; E59-A63 PolarHBondContact O-N 3.47Å; A63-R67 VanDerWaalsContact O-CB 3.32Å; A63-R67 WeakPolarHBondContact O-CB 2.98Å; A63-R67 PolarHBondContact O-N 3.41Å |
| 64 | R | 61.8 | Low | 55.2 | Low | 198 Ų | 198 | 106.1 Ų | 106.1 | 75% | 0.747 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73.5 | -32.4 | 173.8 | -74.1 | 172.8 | -170.9 | -85.6 | 1.1 | 112.5 | A60 V61 R67 | A60-R64 WeakPolarHBondContact O-CB 3.12Å; A60-R64 WeakPolarHBondContact O-CD 3.46Å; A60-R64 WeakPolarHBondContact O-CG 3.05Å; A60-R64 PolarHBondContact O-N 3.44Å; V61-R64 PolarHBondContact O-N 2.89Å; R64-R67 CarbonylContact O-C 3.37Å |
| 65 | L | 60.1 | Low | 54 | Low | 136 Ų | 136 | 106.6 Ų | 106.6 | 71% | 0.712 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.5 | -35 | 172.8 | -69.8 | 168.6 | 0 | 0 | 0 | 111.9 | V61 S62 R67 | V61-L65 HydrophobicContact CG1-CD1 3.89Å; V61-L65 HydrophobicContact CG1-CG 4.42Å; V61-L65 WeakPolarHBondContact O-CB 3.21Å; V61-L65 VanDerWaalsContact O-CG 3.24Å; V61-L65 WeakPolarHBondContact O-CG 3.37Å; V61-L65 PolarHBondContact O-N 3.31Å; S62-L65 PolarHBondContact O-N 2.9Å; L65-R67 VanDerWaalsContact C-N 3.3Å |
| 66 | S | 56.6 | Low | 53.4 | Low | 105 Ų | 105 | 109.6 Ų | 109.6 | 73% | 0.734 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70.9 | -26.9 | 173.2 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | S62 G68 | S62-S66 WeakPolarHBondContact O-CB 3.21Å; S62-S66 PolarHBondContact O-N 2.89Å; S62-S66 PolarHBondContact O-OG 3.17Å; S66-G68 VanDerWaalsContact C-N 3.28Å; S66-G68 PolarHBondContact O-N 3.46Å |
| 67 | R | 56.7 | Low | 52 | Low | 218 Ų | 218 | 113 Ų | 113 | 82% | 0.823 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -93.1 | 57.8 | 170.6 | -165.3 | 166.9 | 178 | 161.4 | -1.5 | 109.8 | A63 R64 L65 | A63-R67 VanDerWaalsContact O-CB 3.32Å; A63-R67 WeakPolarHBondContact O-CB 2.98Å; A63-R67 PolarHBondContact O-N 3.41Å; R64-R67 CarbonylContact O-C 3.37Å; L65-R67 VanDerWaalsContact C-N 3.3Å |
| 68 | G | 45.4 | Very low | 51.3 | Low | 45 Ų | 45 | 118.5 Ų | 118.5 | 46% | 0.464 | 69% | 0.687 | S | S | . | * | | | trans | -57.3 | 152.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S66 G70 | S66-G68 VanDerWaalsContact C-N 3.28Å; S66-G68 PolarHBondContact O-N 3.46Å; G68-G70 PolarHBondContact O-N 2.98Å |
| 69 | P | 52.2 | Low | 50.6 | Low | 109 Ų | 109 | 120 Ų | 120 | 71% | 0.708 | 69% | 0.691 | S | S | * | * | | | trans | -67.6 | 113.5 | 176.3 | 22.4 | -23.2 | 0 | 0 | 0 | 109.6 | W71 | P69-W71 PolarHBondContact O-N 2.89Š|
| 70 | G | 44 | Very low | 49.4 | Very low | 80 Ų | 80 | 119.4 Ų | 119.4 | 83% | 0.825 | 70% | 0.703 | S | S | * | * | | | trans | -66.9 | 99 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | G68 G72 | G68-G70 PolarHBondContact O-N 2.98Å; G70-G72 PolarHBondContact O-N 3.22Å; G70-G72 VanDerWaalsContact O-N 3.12Å |
| 71 | W | 47.2 | Very low | 48.4 | Very low | 241 Ų | 241 | 122.2 Ų | 122.2 | 91% | 0.913 | 72% | 0.72 | S | S | * | * | | | trans | -71.8 | 94.9 | 162.4 | -65.4 | 92.9 | 0 | 0 | 0 | 108 | P69 | P69-W71 PolarHBondContact O-N 2.89Š|
| 72 | G | 39.8 | Very low | 48.1 | Very low | 65 Ų | 65 | 124 Ų | 124 | 67% | 0.67 | 73% | 0.733 | S | S | * | * | | | trans | -87.8 | 135.5 | 168 | 0 | 0 | 0 | 0 | 0 | 110.5 | G70 | G70-G72 PolarHBondContact O-N 3.22Å; G70-G72 VanDerWaalsContact O-N 3.12Å |
| 73 | P | 45.7 | Very low | 47.4 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 84% | 0.844 | 75% | 0.749 | S | S | * | * | | | trans | -76.8 | 124.6 | 173.1 | 29.1 | -29.3 | 0 | 0 | 0 | 111 | | |
| 74 | Q | 41.3 | Very low | 46.3 | Very low | 186 Ų | 186 | 129.5 Ų | 129.5 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | | | trans | 33.4 | 96.6 | 142.8 | -160.7 | 174.1 | 92.7 | 0 | 0 | 117.4 | | |
| 75 | G | 35.1 | Very low | 45.5 | Very low | 76 Ų | 76 | 125.7 Ų | 125.7 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | | | trans | -114.6 | 106.6 | 154.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | D77 | G75-D77 PolarHBondContact O-N 3.19Š|
| 76 | T | 45.6 | Very low | 44.6 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -56.5 | 120.9 | 169.8 | 42.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 77 | D | 33 | Very low | 43.8 | Very low | 167 Ų | 167 | 129.6 Ų | 129.6 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | | | trans | 179.2 | 120.8 | 136.3 | -95.8 | -55 | 0 | 0 | 0 | 110.6 | G75 | G75-D77 PolarHBondContact O-N 3.19Š|
| 78 | Q | 42.5 | Very low | 42.9 | Very low | 169 Ų | 169 | 123.2 Ų | 123.2 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | trans | -131.4 | 145.9 | 171.4 | -163.3 | -118 | 72.9 | 0 | 0 | 103.7 | | |
| 79 | P | 46.7 | Very low | 42.5 | Very low | 89 Ų | 89 | 128.5 Ų | 128.5 | 58% | 0.578 | 79% | 0.785 | S | S | * | * | | | cis | -135.3 | 166.3 | 26.2 | 10.7 | 17 | 0 | 0 | 0 | 116.2 | | |
| 80 | S | 34.6 | Very low | 42.6 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | | | trans | -151.2 | 113.1 | 136.7 | -81.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 81 | S | 41.2 | Very low | 42.7 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -66.5 | 158.3 | -177.5 | -61.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 82 | P | 56.1 | Low | 42.3 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | | | trans | -82.6 | 152.7 | 171.2 | 34.4 | -34.1 | 0 | 0 | 0 | 112.1 | | |
| 83 | P | 48.6 | Very low | 42.4 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | | | trans | -111.5 | 142.7 | 150.6 | 34.4 | -23.7 | 0 | 0 | 0 | 109.1 | | |
| 84 | V | 37.5 | Very low | 42.6 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | | | cis | -164.9 | 150.8 | 8.3 | 138.5 | 0 | 0 | 0 | 0 | 105.8 | | |
| 85 | P | 45.3 | Very low | 42.6 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | trans | -81.6 | 135.1 | 170.3 | 31.9 | -30.7 | 0 | 0 | 0 | 111.4 | | |
| 86 | T | 41.7 | Very low | 43 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | -112 | 101.5 | 158.6 | -59.2 | 0 | 0 | 0 | 0 | 108 | | |
| 87 | E | 38.8 | Very low | 42.8 | Very low | 184 Ų | 184 | 135.5 Ų | 135.5 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | -75.5 | 127.3 | 164.5 | -179.7 | -164.8 | 115.3 | 0 | 0 | 108.9 | | |
| 88 | A | 37.8 | Very low | 43.2 | Very low | 84 Ų | 84 | 130 Ų | 130 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | | | trans | 172.4 | 99.5 | 140.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 89 | D | 37.1 | Very low | 43 | Very low | 157 Ų | 157 | 130.7 Ų | 130.7 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | | | trans | 152.5 | 109.6 | 135.4 | -106.5 | -82.3 | 0 | 0 | 0 | 112.1 | | |
| 90 | P | 55.8 | Low | 42.9 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | trans | -118.9 | 163.9 | 141.1 | 37.5 | -27.6 | 0 | 0 | 0 | 109.4 | | |
| 91 | P | 46.3 | Very low | 42.9 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | cis | -134.1 | -178 | 19.6 | 32.7 | -10.4 | 0 | 0 | 0 | 112.6 | | |
| 92 | L | 37.7 | Very low | 42.9 | Very low | 163 Ų | 163 | 135 Ų | 135 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | trans | 171.7 | 92.6 | 130.4 | -86.9 | 171.2 | 0 | 0 | 0 | 109 | P94 | L92-P94 WeakPolarHBondContact O-CD 3.47Š|
| 93 | L | 42.5 | Very low | 42.3 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | -63.3 | 130.3 | 153.8 | -85 | 143.7 | 0 | 0 | 0 | 108.9 | | |
| 94 | P | 48.6 | Very low | 41.6 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | | | trans | -91.3 | 113.9 | 143.9 | 25.6 | -15.2 | 0 | 0 | 0 | 108.4 | L92 Q96 | L92-P94 WeakPolarHBondContact O-CD 3.47Å; P94-Q96 PolarHBondContact O-N 3.5Å |
| 95 | Q | 42.7 | Very low | 41.7 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | | | trans | -51.6 | 115.7 | 162.4 | -60.1 | -156.1 | 78.3 | 0 | 0 | 110.1 | V97 | Q95-V97 VanDerWaalsContact C-N 3.31Å; Q95-V97 HydrophobicContact CB-CG2 4.46Å; Q95-V97 PolarHBondContact O-N 3.15Å |
| 96 | Q | 42.4 | Very low | 41.6 | Very low | 198 Ų | 198 | 139 Ų | 139 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | | | trans | -86.9 | 86.8 | 157.7 | -88 | -124.8 | -44.5 | 0 | 0 | 108.9 | P94 G98 | P94-Q96 PolarHBondContact O-N 3.5Å; Q96-G98 PolarHBondContact O-N 3.08Å |
| 97 | V | 42.4 | Very low | 41.3 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | | | trans | -44.4 | 116.9 | 157.3 | 166.2 | 0 | 0 | 0 | 0 | 110.7 | Q95 | Q95-V97 VanDerWaalsContact C-N 3.31Å; Q95-V97 HydrophobicContact CB-CG2 4.46Å; Q95-V97 PolarHBondContact O-N 3.15Å |
| 98 | G | 40.4 | Very low | 41.5 | Very low | 51 Ų | 51 | 133.3 Ų | 133.3 | 53% | 0.526 | 79% | 0.789 | S | S | . | * | | | | 52.4 | 100.1 | 128.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | Q96 | Q96-G98 PolarHBondContact O-N 3.08Š|
| 99 | H | 39.3 | Very low | 41.5 | Very low | 184 Ų | 184 | 134.3 Ų | 134.3 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | | | trans | -133.7 | 71 | 140.5 | -59.6 | -57 | 0 | 0 | 0 | 110.1 | T101 | H99-T101 PolarHBondContact O-N 3.48Š|
| 100 | Q | 43.2 | Very low | 41.6 | Very low | 197 Ų | 197 | 134.8 Ų | 134.8 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | | | trans | -81.2 | 101.1 | 152.5 | -75.4 | -155.9 | 69.7 | 0 | 0 | 107.6 | | |
| 101 | T | 36.2 | Very low | 41.1 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | trans | -103.8 | 98.4 | 162.1 | -60.7 | 0 | 0 | 0 | 0 | 107.9 | H99 | H99-T101 PolarHBondContact O-N 3.48Š|
| 102 | A | 40.6 | Very low | 40.7 | Very low | 80 Ų | 80 | 141.8 Ų | 141.8 | 66% | 0.661 | 81% | 0.807 | S | S | * | * | | | trans | -79.4 | 144 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 103 | R | 42.4 | Very low | 40.4 | Very low | 242 Ų | 242 | 137.3 Ų | 137.3 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | | | trans | 75.2 | 117.1 | 163.4 | -60.3 | -174.2 | -173.6 | -177.2 | 3 | 118.4 | | |
| 104 | A | 34.8 | Very low | 40.5 | Very low | 94 Ų | 94 | 136 Ų | 136 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | | | | -166.4 | 131.9 | 101.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | P106 | A104-P106 WeakPolarHBondContact O-CD 3.49Š|
| 105 | A | 39.9 | Very low | 40 | Very low | 104 Ų | 104 | 135 Ų | 135 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | | | trans | -79.9 | 134.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 106 | P | 42.3 | Very low | 39.7 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | | | trans | -105.9 | 134.5 | 153.1 | -1.1 | 22 | 0 | 0 | 0 | 109.8 | A104 | A104-P106 WeakPolarHBondContact O-CD 3.49Š|
| 107 | G | 36.2 | Very low | 39.4 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | | | trans | -66.1 | -172.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 108 | P | 42.2 | Very low | 39.4 | Very low | 135 Ų | 135 | 130.9 Ų | 130.9 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -77 | 128.2 | -161.9 | 30.8 | -33.3 | 0 | 0 | 0 | 112.2 | | |
| 109 | A | 38.2 | Very low | 38.9 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 121.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 110 | Q | 39.4 | Very low | 38.5 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 154 | 176 | -90.3 | -104.9 | 46.5 | 0 | 0 | 115.9 | | |
| 111 | Q | 45.8 | Very low | 38 | Very low | 175 Ų | 175 | 129 Ų | 129 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 136.1 | 175.3 | -58.6 | 173.1 | 54.6 | 0 | 0 | 112.2 | | |
| 112 | Q | 36.7 | Very low | 38.3 | Very low | 197 Ų | 197 | 128.8 Ų | 128.8 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | | | trans | -135.6 | 111.1 | 158.2 | -74.9 | -176.8 | -31.5 | 0 | 0 | 108.7 | | |
| 113 | G | 32.8 | Very low | 37.9 | Very low | 69 Ų | 69 | 129.1 Ų | 129.1 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -74 | 157.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 114 | P | 43.5 | Very low | 37.7 | Very low | 135 Ų | 135 | 123.8 Ų | 123.8 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 125.7 | 177.1 | 28.9 | -29.8 | 0 | 0 | 0 | 111.2 | | |
| 115 | A | 38.5 | Very low | 37.8 | Very low | 94 Ų | 94 | 125.3 Ų | 125.3 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 141.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 116 | A | 36.1 | Very low | 38.1 | Very low | 91 Ų | 91 | 128.9 Ų | 128.9 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 130.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 117 | C | 36.2 | Very low | 37.8 | Very low | 132 Ų | 132 | 127.4 Ų | 127.4 | 89% | 0.892 | 82% | 0.818 | S | S | * | * | | | trans | -126.1 | 94.4 | 156.3 | -65.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 118 | Q | 43.1 | Very low | 38.1 | Very low | 173 Ų | 173 | 128.2 Ų | 128.2 | 81% | 0.808 | 83% | 0.826 | S | S | * | * | | | trans | -79.7 | 125.2 | 163.5 | -70.5 | -93.4 | 85.1 | 0 | 0 | 108 | | |
| 119 | H | 30.2 | Very low | 37.6 | Very low | 198 Ų | 198 | 125.2 Ų | 125.2 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | | | trans | 177.5 | 132.8 | 135.2 | -105.5 | 77.7 | 0 | 0 | 0 | 112.5 | | |
| 120 | G | 29.5 | Very low | 38.1 | Very low | 73 Ų | 73 | 127.6 Ų | 127.6 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | | | trans | 99.6 | 82.9 | 144.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 121 | S | 33.5 | Very low | 38.1 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | | | trans | -83.9 | 143.7 | 145.6 | -69.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 122 | P | 41.9 | Very low | 37.7 | Very low | 128 Ų | 128 | 121 Ų | 121 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | | | | -130.9 | 153.1 | 115 | 33.3 | -22.3 | 0 | 0 | 0 | 113.7 | | |
| 123 | A | 32.2 | Very low | 37.6 | Very low | 87 Ų | 87 | 119 Ų | 119 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | | | trans | -39.9 | 149 | -174.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 124 | P | 38.8 | Very low | 38 | Very low | 130 Ų | 130 | 123.7 Ų | 123.7 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | | | trans | -86 | 118.3 | 154.6 | 31.5 | -26.2 | 0 | 0 | 0 | 110.7 | | |
| 125 | T | 37.8 | Very low | 37.7 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | trans | -40.9 | 131.1 | 164.7 | -59.4 | 0 | 0 | 0 | 0 | 113.2 | A127 | T125-A127 PolarHBondContact O-N 3.15Š|
| 126 | L | 44.8 | Very low | 37.6 | Very low | 178 Ų | 178 | 130.3 Ų | 130.3 | 93% | 0.932 | 80% | 0.8 | S | S | * | * | | | trans | -59 | 111.4 | 162.1 | -82.7 | 156.6 | 0 | 0 | 0 | 109.5 | | |
| 127 | A | 36.6 | Very low | 37.9 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | | | trans | -131.2 | 111.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108 | T125 | T125-A127 PolarHBondContact O-N 3.15Š|
| 128 | G | 41.9 | Very low | 38.2 | Very low | 87 Ų | 87 | 127.6 Ų | 127.6 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | | | trans | -64.2 | 137 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 129 | G | 33 | Very low | 38 | Very low | 71 Ų | 71 | 124.7 Ų | 124.7 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | | | trans | -138.6 | 96.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q131 | G129-Q131 PolarHBondContact O-N 2.77Å; G129-Q131 VanDerWaalsContact O-N 3.07Å |
| 130 | V | 48.3 | Very low | 38.5 | Very low | 155 Ų | 155 | 121 Ų | 121 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | | | trans | -69 | 99.1 | 168.5 | 178.9 | 0 | 0 | 0 | 0 | 106.8 | | |
| 131 | Q | 37.8 | Very low | 39 | Very low | 156 Ų | 156 | 125.3 Ų | 125.3 | 73% | 0.729 | 79% | 0.792 | S | S | * | * | | | trans | -114.5 | 91.9 | 170.4 | -151.7 | 165.5 | 80.7 | 0 | 0 | 108.5 | G129 H133 | G129-Q131 PolarHBondContact O-N 2.77Å; G129-Q131 VanDerWaalsContact O-N 3.07Å; Q131-H133 PolarHBondContact O-N 3.46Å; Q131-H133 PolarHBondContact OE1-NE2 2.79Å |
| 132 | G | 38.8 | Very low | 39.1 | Very low | 48 Ų | 48 | 125.2 Ų | 125.2 | 50% | 0.495 | 79% | 0.79 | S | S | . | * | | | trans | -69.6 | 109.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 133 | H | 35.2 | Very low | 39 | Very low | 155 Ų | 155 | 126.5 Ų | 126.5 | 72% | 0.718 | 79% | 0.789 | S | S | * | * | | | trans | -96 | 101.7 | 163.9 | -71.3 | -55.7 | 0 | 0 | 0 | 109.4 | Q131 | Q131-H133 PolarHBondContact O-N 3.46Å; Q131-H133 PolarHBondContact OE1-NE2 2.79Å |
| 134 | H | 39.5 | Very low | 39.3 | Very low | 167 Ų | 167 | 128 Ų | 128 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | -80.8 | 146.5 | 159.6 | -17.3 | -83.1 | 0 | 0 | 0 | 108.3 | | |
| 135 | R | 38 | Very low | 39.7 | Very low | 240 Ų | 240 | 127.4 Ų | 127.4 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | | | trans | 94.7 | 133.6 | 176.8 | -69.8 | -170.1 | 169 | -172.4 | -1.3 | 115 | | |
| 136 | T | 37 | Very low | 39.7 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | | | cis | -146.7 | 141.4 | 17.5 | -54.4 | 0 | 0 | 0 | 0 | 109.4 | G138 | T136-G138 PolarHBondContact O-N 3.3Š|
| 137 | A | 42.5 | Very low | 39.9 | Very low | 95 Ų | 95 | 123.1 Ų | 123.1 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 129 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 138 | G | 41.3 | Very low | 40.2 | Very low | 72 Ų | 72 | 122.9 Ų | 122.9 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 137.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T136 | T136-G138 PolarHBondContact O-N 3.3Š|
| 139 | S | 38.8 | Very low | 40.3 | Very low | 112 Ų | 112 | 122.3 Ų | 122.3 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 134.1 | 169.3 | -65.2 | 0 | 0 | 0 | 0 | 110.6 | L141 | S139-L141 PolarHBondContact O-N 3.17Š|
| 140 | P | 41.7 | Very low | 40.5 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 117.4 | 171.3 | 27.6 | -30.1 | 0 | 0 | 0 | 109 | C142 | P140-C142 PolarHBondContact O-N 2.82Š|
| 141 | L | 38.6 | Very low | 40.4 | Very low | 163 Ų | 163 | 122.2 Ų | 122.2 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | | | trans | -70.6 | 109.7 | 166.6 | -81.4 | 160.1 | 0 | 0 | 0 | 108.1 | S139 L143 | S139-L141 PolarHBondContact O-N 3.17Å; L141-L143 PolarHBondContact O-N 3.3Å |
| 142 | C | 36 | Very low | 40.5 | Very low | 120 Ų | 120 | 119.7 Ų | 119.7 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | | | trans | -68.8 | 106.9 | 163.8 | -69.4 | 0 | 0 | 0 | 0 | 108.2 | P140 | P140-C142 PolarHBondContact O-N 2.82Š|
| 143 | L | 41 | Very low | 41.1 | Very low | 155 Ų | 155 | 122.6 Ų | 122.6 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 126.4 | 165.9 | -76.7 | 157.2 | 0 | 0 | 0 | 107.9 | L141 T145 | L141-L143 PolarHBondContact O-N 3.3Å; L143-T145 PolarHBondContact O-N 3.42Å |
| 144 | P | 38 | Very low | 41.2 | Very low | 117 Ų | 117 | 118.4 Ų | 118.4 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 126.5 | 170.7 | 26.9 | -30.6 | 0 | 0 | 0 | 109.2 | | |
| 145 | T | 46.2 | Very low | 41.3 | Very low | 118 Ų | 118 | 115.8 Ų | 115.8 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 128.7 | 170.8 | -53.4 | 0 | 0 | 0 | 0 | 109 | L143 G147 | L143-T145 PolarHBondContact O-N 3.42Å; T145-G147 PolarHBondContact O-N 3.41Å |
| 146 | P | 38.3 | Very low | 41.2 | Very low | 131 Ų | 131 | 109.6 Ų | 109.6 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 120.3 | 172.9 | -13.4 | 27.4 | 0 | 0 | 0 | 109.2 | | |
| 147 | G | 49.7 | Very low | 41.5 | Very low | 84 Ų | 84 | 108.7 Ų | 108.7 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 117 | 13.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 118 | T145 | T145-G147 PolarHBondContact O-N 3.41Š|
| 148 | A | 42 | Very low | 41.3 | Very low | 87 Ų | 87 | 112.4 Ų | 112.4 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | | | trans | -90.7 | 120.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 149 | A | 44.9 | Very low | 41.2 | Very low | 75 Ų | 75 | 120.2 Ų | 120.2 | 62% | 0.62 | 79% | 0.792 | S | S | * | * | | | trans | -60.1 | 146 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G151 | A149-G151 PolarHBondContact O-N 2.76Å; A149-G151 VanDerWaalsContact O-N 3.14Å |
| 150 | P | 36.3 | Very low | 41.2 | Very low | 142 Ų | 142 | 126.1 Ų | 126.1 | 92% | 0.922 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 113.5 | -176.3 | 27 | -31.3 | 0 | 0 | 0 | 109.9 | | |
| 151 | G | 47.3 | Very low | 41.1 | Very low | 81 Ų | 81 | 125.3 Ų | 125.3 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 137.6 | -6.5 | 170 | 0 | 0 | 0 | 0 | 0 | 117 | A149 | A149-G151 PolarHBondContact O-N 2.76Å; A149-G151 VanDerWaalsContact O-N 3.14Å |
| 152 | S | 40.3 | Very low | 41.2 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | -95.7 | 121.5 | 177.4 | -62.9 | 0 | 0 | 0 | 0 | 111.3 | G154 | S152-G154 PolarHBondContact O-N 2.84Š|
| 153 | A | 49.6 | Very low | 41.3 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | | | trans | -59.9 | 97.1 | 169 | 0 | 0 | 0 | 0 | 0 | 109.3 | S155 | A153-S155 PolarHBondContact O-N 3.39Š|
| 154 | G | 38.8 | Very low | 41.3 | Very low | 66 Ų | 66 | 132 Ų | 132 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | | | trans | -63.9 | 118.2 | -180 | 0 | 0 | 0 | 0 | 0 | 110.7 | S152 C156 | S152-G154 PolarHBondContact O-N 2.84Å; G154-C156 PolarHBondContact O-N 2.86Å; G154-C156 VanDerWaalsContact O-N 3.13Å |
| 155 | S | 41.1 | Very low | 41.6 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | | | trans | -61.2 | 108.8 | 169.3 | -178.5 | 0 | 0 | 0 | 0 | 110 | A153 S157 | A153-S155 PolarHBondContact O-N 3.39Å; S155-S157 PolarHBondContact O-N 2.8Å |
| 156 | C | 36.4 | Very low | 41.2 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | | | trans | -73 | 90.5 | 176.4 | -86.6 | 0 | 0 | 0 | 0 | 110.5 | G154 H158 | G154-C156 PolarHBondContact O-N 2.86Å; G154-C156 VanDerWaalsContact O-N 3.13Å; C156-H158 PolarHBondContact O-N 2.74Å |
| 157 | S | 42.1 | Very low | 41.3 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | | | trans | -75.8 | 107 | 168.1 | -75.6 | 0 | 0 | 0 | 0 | 110.5 | S155 R159 | S155-S157 PolarHBondContact O-N 2.8Å; S157-R159 PolarHBondContact O-N 3.46Å |
| 158 | H | 39.1 | Very low | 40.7 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | | | trans | -70 | 89.6 | 174.5 | -79.4 | -87.8 | 0 | 0 | 0 | 111.5 | C156 R160 | C156-H158 PolarHBondContact O-N 2.74Å; H158-R160 PolarHBondContact O-N 3.2Å |
| 159 | R | 39.2 | Very low | 40.5 | Very low | 235 Ų | 235 | 145 Ų | 145 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | | | trans | -83 | 94.1 | 163.4 | -126.1 | -179 | -160 | -120.6 | 3.7 | 109 | S157 V161 | S157-R159 PolarHBondContact O-N 3.46Å; R159-V161 PolarHBondContact O-N 2.87Å |
| 160 | R | 39.6 | Very low | 40.3 | Very low | 236 Ų | 236 | 150.5 Ų | 150.5 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | | | trans | -67.3 | 95.4 | 166.7 | -87.9 | -170.4 | -86.8 | -117.5 | -0.7 | 108.8 | H158 R162 | H158-R160 PolarHBondContact O-N 3.2Å; R160-R162 PolarHBondContact O-N 3.02Å; R160-R162 VanDerWaalsContact O-N 3.12Å |
| 161 | V | 38.3 | Very low | 40.5 | Very low | 104 Ų | 104 | 155.6 Ų | 155.6 | 63% | 0.63 | 81% | 0.809 | S | S | * | * | | | trans | -73.8 | 101.7 | 166.2 | -172.1 | 0 | 0 | 0 | 0 | 107 | R159 W163 | R159-V161 PolarHBondContact O-N 2.87Å; V161-W163 PolarHBondContact O-N 3.19Å |
| 162 | R | 41.5 | Very low | 39.9 | Very low | 238 Ų | 238 | 154.7 Ų | 154.7 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | | | trans | -73.4 | 102 | 172.4 | -143.6 | -177 | -150.6 | -139.8 | 6.3 | 106.5 | R160 P164 | R160-R162 PolarHBondContact O-N 3.02Å; R160-R162 VanDerWaalsContact O-N 3.12Å; R162-P164 WeakPolarHBondContact O-CD 3.4Å |
| 163 | W | 36.8 | Very low | 39.9 | Very low | 224 Ų | 224 | 155.3 Ų | 155.3 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | | | trans | -62.7 | 121.8 | 168.2 | -68.7 | 95.5 | 0 | 0 | 0 | 108 | V161 R165 | V161-W163 PolarHBondContact O-N 3.19Å; W163-R165 PolarHBondContact O-N 2.81Å |
| 164 | P | 42.4 | Very low | 39.2 | Very low | 116 Ų | 116 | 153.5 Ų | 153.5 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | | | trans | -64.3 | 131.1 | 170.2 | 24.6 | -26.3 | 0 | 0 | 0 | 107.5 | R162 G166 | R162-P164 WeakPolarHBondContact O-CD 3.4Å; P164-G166 PolarHBondContact O-N 3.17Å |
| 165 | R | 43.2 | Very low | 38.9 | Very low | 223 Ų | 223 | 153.9 Ų | 153.9 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | | | trans | -48.8 | 104.5 | 173.2 | -90 | 173.4 | 151.9 | 154.8 | -7.7 | 108.9 | W163 H167 | W163-R165 PolarHBondContact O-N 2.81Å; R165-H167 PolarHBondContact O-CD2 3.32Å; R165-H167 PolarHBondContact O-N 3.46Å; R165-H167 VanDerWaalsContact O-N 3.17Å |
| 166 | G | 37.4 | Very low | 39 | Very low | 71 Ų | 71 | 154.7 Ų | 154.7 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | | | trans | -71.2 | 105.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | P164 L168 | P164-G166 PolarHBondContact O-N 3.17Å; G166-L168 PolarHBondContact O-N 2.74Å; G166-L168 VanDerWaalsContact O-N 3.11Å |
| 167 | H | 41.5 | Very low | 39 | Very low | 154 Ų | 154 | 155.2 Ų | 155.2 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | | | trans | -69.8 | 100.2 | 162.9 | -53.8 | -83.2 | 0 | 0 | 0 | 106.7 | R165 F169 | R165-H167 PolarHBondContact O-CD2 3.32Å; R165-H167 PolarHBondContact O-N 3.46Å; R165-H167 VanDerWaalsContact O-N 3.17Å; H167-F169 HydrophobicContact CB-CD2 4.33Å; H167-F169 PolarHBondContact O-N 2.76Å |
| 168 | L | 37.7 | Very low | 39 | Very low | 174 Ų | 174 | 162.4 Ų | 162.4 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | | | trans | -67.8 | 88.7 | 167.3 | -103.8 | 145.4 | 0 | 0 | 0 | 107.7 | G166 Q170 | G166-L168 PolarHBondContact O-N 2.74Å; G166-L168 VanDerWaalsContact O-N 3.11Å; L168-Q170 PolarHBondContact O-N 3.4Å |
| 169 | F | 37.1 | Very low | 38.7 | Very low | 190 Ų | 190 | 157.7 Ų | 157.7 | 83% | 0.833 | 82% | 0.824 | S | S | * | * | | | trans | -67.5 | 109.4 | 160.2 | -93.7 | -92.5 | 0 | 0 | 0 | 107.4 | H167 R171 | H167-F169 HydrophobicContact CB-CD2 4.33Å; H167-F169 PolarHBondContact O-N 2.76Å; F169-R171 PolarHBondContact O-N 2.92Å; F169-R171 VanDerWaalsContact O-N 3.07Å |
| 170 | Q | 39.7 | Very low | 38.6 | Very low | 189 Ų | 189 | 155.5 Ų | 155.5 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | | | trans | -58.8 | 108.5 | 160.6 | -93.5 | -147.5 | 83.6 | 0 | 0 | 108 | L168 G172 | L168-Q170 PolarHBondContact O-N 3.4Å; Q170-G172 VanDerWaalsContact C-N 3.32Å; Q170-G172 PolarHBondContact O-N 3.12Å |
| 171 | R | 40.8 | Very low | 39.1 | Very low | 250 Ų | 250 | 149.7 Ų | 149.7 | 94% | 0.943 | 82% | 0.816 | S | S | * | * | | | trans | -79.6 | 86.6 | 171.8 | -154.2 | -178.8 | -147 | -160.5 | 5.7 | 107.9 | F169 | F169-R171 PolarHBondContact O-N 2.92Å; F169-R171 VanDerWaalsContact O-N 3.07Å |
| 172 | G | 35.4 | Very low | 38.9 | Very low | 62 Ų | 62 | 148.8 Ų | 148.8 | 64% | 0.639 | 83% | 0.828 | S | S | * | * | | | trans | -64.9 | 138.5 | 165 | 0 | 0 | 0 | 0 | 0 | 110 | Q170 G174 | Q170-G172 VanDerWaalsContact C-N 3.32Å; Q170-G172 PolarHBondContact O-N 3.12Å; G172-G174 PolarHBondContact O-N 3.22Å |
| 173 | A | 40.5 | Very low | 38.6 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 96% | 0.959 | 83% | 0.825 | S | S | * | * | | | trans | -66.9 | 117.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 174 | G | 35.2 | Very low | 38.7 | Very low | 72 Ų | 72 | 139 Ų | 139 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | | | trans | -175.4 | 127.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | G172 | G172-G174 PolarHBondContact O-N 3.22Š|
| 175 | G | 32.5 | Very low | 38.6 | Very low | 74 Ų | 74 | 139.4 Ų | 139.4 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | | | trans | -67.2 | -176.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 176 | P | 43.2 | Very low | 38.4 | Very low | 128 Ų | 128 | 135 Ų | 135 | 83% | 0.831 | 83% | 0.828 | S | S | * | * | | | trans | -85.7 | 131.4 | -164.5 | 33.6 | -31.2 | 0 | 0 | 0 | 111.7 | | |
| 177 | S | 35.2 | Very low | 38.3 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | | | trans | -155.2 | 97 | 161.5 | -76.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 178 | R | 41.9 | Very low | 38.1 | Very low | 260 Ų | 260 | 131.8 Ų | 131.8 | 98% | 0.981 | 84% | 0.836 | S | S | * | * | | | trans | 29.9 | 116.8 | 132.8 | -131.7 | 175.7 | 178.4 | -174.5 | -1.6 | 117.9 | | |
| 179 | G | 34.1 | Very low | 38.2 | Very low | 75 Ų | 75 | 135.2 Ų | 135.2 | 77% | 0.773 | 84% | 0.837 | S | S | * | * | | | trans | 161.8 | 89.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 180 | Q | 37.3 | Very low | 38.4 | Very low | 188 Ų | 188 | 132.9 Ų | 132.9 | 88% | 0.879 | 84% | 0.838 | S | S | * | * | | | trans | 57.6 | 148.3 | 144.7 | -74 | -96 | 3 | 0 | 0 | 123.3 | | |
| 181 | P | 48.3 | Very low | 38.2 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 74% | 0.74 | 83% | 0.832 | S | S | * | * | | | trans | -102.5 | 157.7 | -177.3 | 37.2 | -21.6 | 0 | 0 | 0 | 113.1 | | |
| 182 | G | 34.9 | Very low | 38.3 | Very low | 85 Ų | 85 | 123.3 Ų | 123.3 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | | | trans | 149.2 | 112 | 164.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 183 | G | 35.2 | Very low | 38.3 | Very low | 81 Ų | 81 | 131.2 Ų | 131.2 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | | | trans | 176.2 | 82.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 184 | Q | 39.3 | Very low | 38.4 | Very low | 177 Ų | 177 | 131.4 Ų | 131.4 | 83% | 0.827 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 148.2 | 177.3 | -175.2 | 179 | -4.9 | 0 | 0 | 113.7 | | |
| 185 | P | 40.9 | Very low | 38.6 | Very low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 121.8 | 178.3 | 31 | -30.3 | 0 | 0 | 0 | 112 | | |
| 186 | C | 37.9 | Very low | 39 | Very low | 130 Ų | 130 | 138 Ų | 138 | 88% | 0.878 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 119.9 | 173.2 | -67.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 187 | G | 35 | Very low | 38.7 | Very low | 74 Ų | 74 | 141.4 Ų | 141.4 | 76% | 0.763 | 84% | 0.841 | S | S | * | * | | | trans | 81.7 | 94.7 | 131.8 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 188 | G | 38.1 | Very low | 39.1 | Very low | 83 Ų | 83 | 147 Ų | 147 | 86% | 0.856 | 84% | 0.844 | S | S | * | * | | | trans | -64.4 | 136.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 189 | R | 39.1 | Very low | 38.8 | Very low | 247 Ų | 247 | 141.9 Ų | 141.9 | 93% | 0.932 | 84% | 0.835 | S | S | * | * | | | trans | -118.6 | 119.6 | 159.2 | -78.2 | -166.8 | -176.2 | -138 | 2.7 | 109.5 | | |
| 190 | V | 42.9 | Very low | 39.5 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 85% | 0.848 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 132.8 | 170.2 | 174.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 191 | C | 34.4 | Very low | 39.9 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 76% | 0.757 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 135.8 | 170.4 | -66.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 192 | P | 42.9 | Very low | 39.5 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 139.2 | 169.8 | 28 | -30.1 | 0 | 0 | 0 | 110.6 | | |
| 193 | R | 35.5 | Very low | 39.8 | Very low | 227 Ų | 227 | 145 Ų | 145 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 138.2 | 178.1 | 177.5 | -178.6 | 171.5 | 150.6 | -2.1 | 110.1 | E195 | R193-E195 PolarHBondContact O-N 3.35Š|
| 194 | P | 42.8 | Very low | 40.5 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 78% | 0.779 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 119.7 | 174.3 | 28.2 | -29.6 | 0 | 0 | 0 | 109.9 | | |
| 195 | E | 39.5 | Very low | 40.6 | Very low | 191 Ų | 191 | 148.7 Ų | 148.7 | 89% | 0.893 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 133.2 | 168.7 | -83.5 | -177 | 78.5 | 0 | 0 | 110.3 | R193 | R193-E195 PolarHBondContact O-N 3.35Š|
| 196 | A | 40.6 | Very low | 41.1 | Very low | 94 Ų | 94 | 148 Ų | 148 | 78% | 0.777 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 126.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | R198 | A196-R198 PolarHBondContact O-N 3.49Å; A196-R198 VanDerWaalsContact O-N 3.1Å |
| 197 | Q | 37.2 | Very low | 41.6 | Very low | 200 Ų | 200 | 147.8 Ų | 147.8 | 94% | 0.935 | 83% | 0.827 | S | S | * | * | | | trans | -57.1 | 108.1 | 171.6 | -168.4 | 172.6 | 10.1 | 0 | 0 | 109.4 | | |
| 198 | R | 42.6 | Very low | 42.1 | Very low | 238 Ų | 238 | 149 Ų | 149 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | | | trans | -87 | 129.7 | 172.2 | -106 | -178.2 | 180 | 160.9 | -1 | 109.7 | A196 | A196-R198 PolarHBondContact O-N 3.49Å; A196-R198 VanDerWaalsContact O-N 3.1Å |
| 199 | D | 36.1 | Very low | 42.5 | Very low | 152 Ų | 152 | 148 Ų | 148 | 81% | 0.813 | 82% | 0.821 | S | S | * | * | | | trans | -60.6 | 133.5 | 174 | -137.2 | -50.5 | 0 | 0 | 0 | 111.7 | S201 | D199-S201 PolarHBondContact O-N 3.23Š|
| 200 | P | 49.1 | Very low | 42.6 | Very low | 112 Ų | 112 | 146 Ų | 146 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -97.3 | 80.2 | -179.6 | 36.2 | -28.9 | 0 | 0 | 0 | 110.9 | | |
| 201 | S | 45.2 | Very low | 42.6 | Very low | 109 Ų | 109 | 150.4 Ų | 150.4 | 76% | 0.762 | 84% | 0.84 | S | S | * | * | | | trans | -178 | 70.9 | 158.4 | -95.9 | 0 | 0 | 0 | 0 | 112.4 | D199 | D199-S201 PolarHBondContact O-N 3.23Š|
| 202 | Q | 40.3 | Very low | 43 | Very low | 193 Ų | 193 | 152.3 Ų | 152.3 | 90% | 0.902 | 84% | 0.844 | S | S | * | * | | | trans | -150.6 | 100.1 | 152.6 | -69.9 | -160 | 58.5 | 0 | 0 | 110.4 | | |
| 203 | S | 41.9 | Very low | 43 | Very low | 113 Ų | 113 | 153.6 Ų | 153.6 | 79% | 0.79 | 85% | 0.846 | S | S | * | * | | | trans | 31.1 | 151.9 | 136.7 | -113.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 204 | P | 48.8 | Very low | 43.5 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 77% | 0.766 | 85% | 0.845 | S | S | * | * | | | | -149.4 | 145.8 | 55.6 | 35 | -12.1 | 0 | 0 | 0 | 118.5 | | |
| 205 | R | 42.1 | Very low | 43.5 | Very low | 219 Ų | 219 | 151.3 Ų | 151.3 | 83% | 0.826 | 85% | 0.849 | S | S | * | * | | | | 41.4 | 99 | 122.2 | -143.3 | 175.8 | -166.2 | 176.5 | 2.5 | 117.2 | | |
| 206 | A | 50.3 | Low | 43.8 | Very low | 109 Ų | 109 | 148.8 Ų | 148.8 | 90% | 0.901 | 85% | 0.846 | S | S | * | * | | | trans | -60.7 | 132.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 207 | T | 48.8 | Very low | 44 | Very low | 125 Ų | 125 | 152.5 Ų | 152.5 | 77% | 0.767 | 85% | 0.851 | S | S | * | * | | | trans | -119.2 | 129.3 | 167.2 | 23 | 0 | 0 | 0 | 0 | 107.6 | | |
| 208 | A | 46.2 | Very low | 44.4 | Very low | 99 Ų | 99 | 149.1 Ų | 149.1 | 82% | 0.818 | 85% | 0.845 | S | S | * | * | | | trans | 16.3 | 137.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 209 | G | 45.4 | Very low | 44.6 | Very low | 64 Ų | 64 | 142.2 Ų | 142.2 | 66% | 0.66 | 84% | 0.841 | S | S | * | * | | | cis | 111.4 | 146 | 42.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 210 | E | 42.8 | Very low | 45.3 | Very low | 203 Ų | 203 | 141.4 Ų | 141.4 | 95% | 0.949 | 84% | 0.843 | S | S | * | * | | | trans | 75.7 | 132.8 | 179.1 | -64.3 | 158.8 | 73.3 | 0 | 0 | 114.6 | | |
| 211 | D | 42.6 | Very low | 45 | Very low | 233 Ų | 233 | 144.1 Ų | 144.1 | 100% | 1.246 | 85% | 0.853 | S | S | * | * | | | cis | -147.5 | 0 | 14.3 | 175.2 | -110.2 | 0 | 0 | 0 | 108.3 | | |