| 1 | M | 51.5 | Low | 61.3 | Low | 230 Ų | 230 | 131.5 Ų | 131.5 | 100% | 1.133 | 67% | 0.672 | S | S | * | * | | | | 0 | 82.7 | 0 | -74.9 | 169.8 | 161.6 | 0 | 0 | 110.1 | | |
| 2 | K | 58 | Low | 62.9 | Low | 188 Ų | 188 | 129.1 Ų | 129.1 | 82% | 0.817 | 66% | 0.66 | S | S | * | * | | | trans | -119.2 | -3.1 | 178.2 | -72.4 | -175 | 177.4 | -179.1 | 0 | 113.9 | | |
| 3 | Y | 57.1 | Low | 64.5 | Low | 189 Ų | 189 | 122.9 Ų | 122.9 | 74% | 0.741 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -86.3 | -19.3 | -172.6 | -63.5 | -75.7 | 0 | 0 | 0 | 114.3 | C5 | Y3-C5 PolarHBondContact O-N 3.25Å |
| 4 | N | 58.7 | Low | 65.8 | Low | 113 Ų | 113 | 119.7 Ų | 119.7 | 60% | 0.604 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73.7 | -29.4 | -175.4 | -66.1 | 0.8 | 0 | 0 | 0 | 113.5 | N8 | N4-N8 PolarHBondContact O-ND2 3.05Å |
| 5 | C | 56.2 | Low | 67.2 | Low | 94 Ų | 94 | 116.6 Ų | 116.6 | 64% | 0.635 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.7 | -35 | -179.5 | -164 | 0 | 0 | 0 | 0 | 111.8 | Y3 N8 T9 | Y3-C5 PolarHBondContact O-N 3.25Å; C5-N8 PolarHBondContact O-N 3.47Å; C5-T9 PolarHBondContact O-N 3.44Å |
| 6 | L | 55.2 | Low | 68.3 | Low | 135 Ų | 135 | 117 Ų | 117 | 71% | 0.707 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.9 | -29.3 | -178.3 | -126 | 78.4 | 0 | 0 | 0 | 113.3 | T9 S10 | L6-T9 PolarHBondContact O-OG1 3.46Å; L6-S10 PolarHBondContact O-N 3.5Å |
| 7 | Q | 56.4 | Low | 69.2 | Low | 135 Ų | 135 | 115.3 Ų | 115.3 | 63% | 0.631 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -72.6 | -34.7 | 175.5 | -72.8 | -178.3 | -55.6 | 0 | 0 | 111.8 | S10 L11 | Q7-S10 PolarHBondContact O-N 3.4Å; Q7-L11 PolarHBondContact O-N 3.02Å |
| 8 | N | 61.2 | Low | 70 | Confident | 98 Ų | 98 | 114.3 Ų | 114.3 | 52% | 0.524 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.6 | -35.1 | 179.4 | -68.7 | -22.1 | 0 | 0 | 0 | 112.5 | N4 C5 L11 L12 | N4-N8 PolarHBondContact O-ND2 3.05Å; C5-N8 PolarHBondContact O-N 3.47Å; N8-L11 PolarHBondContact O-N 2.95Å; N8-L12 WeakPolarHBondContact O-CB 3.29Å; N8-L12 VanDerWaalsContact O-CG 3.29Å; N8-L12 WeakPolarHBondContact O-CG 3.49Å; N8-L12 PolarHBondContact O-N 3.43Å |
| 9 | T | 68.2 | Low | 70.5 | Confident | 83 Ų | 83 | 113.8 Ų | 113.8 | 51% | 0.509 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.7 | -39.4 | 175.8 | 49 | 0 | 0 | 0 | 0 | 112.1 | C5 L6 L12 A13 | C5-T9 PolarHBondContact O-N 3.44Å; L6-T9 PolarHBondContact O-OG1 3.46Å; T9-L12 PolarHBondContact O-N 3.35Å; T9-A13 PolarHBondContact O-N 3.05Å; T9-A13 VanDerWaalsContact O-N 3.08Å |
| 10 | S | 74.6 | Confident | 70.9 | Confident | 78 Ų | 78 | 112.7 Ų | 112.7 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64 | -41.5 | 174.5 | 177.3 | 0 | 0 | 0 | 0 | 111.9 | L6 Q7 A13 V14 | L6-S10 PolarHBondContact O-N 3.5Å; Q7-S10 PolarHBondContact O-N 3.4Å; S10-A13 PolarHBondContact O-N 3.25Å; S10-V14 WeakPolarHBondContact O-CG2 3.46Å; S10-V14 PolarHBondContact O-N 3.44Å |
| 11 | L | 77.8 | Confident | 71.2 | Confident | 103 Ų | 103 | 113.1 Ų | 113.1 | 54% | 0.539 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.9 | -44 | 176.6 | -176 | 67.1 | 0 | 0 | 0 | 112 | Q7 N8 A13 V14 I15 | Q7-L11 PolarHBondContact O-N 3.02Å; N8-L11 PolarHBondContact O-N 2.95Å; L11-A13 VanDerWaalsContact C-N 3.33Å; L11-A13 PolarHBondContact O-N 3.21Å; L11-V14 PolarHBondContact O-N 3.08Å; L11-I15 HydrophobicContact CG-CD1 4.07Å; L11-I15 WeakPolarHBondContact O-CG1 3.37Å; L11-I15 PolarHBondContact O-N 3.4Å |
| 12 | L | 80.5 | Confident | 72.2 | Confident | 103 Ų | 103 | 105.9 Ų | 105.9 | 54% | 0.539 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.7 | -39.9 | 177.5 | -75.2 | 170.2 | 0 | 0 | 0 | 112.4 | N8 T9 V14 I15 M16 | N8-L12 WeakPolarHBondContact O-CB 3.29Å; N8-L12 VanDerWaalsContact O-CG 3.29Å; N8-L12 WeakPolarHBondContact O-CG 3.49Å; N8-L12 PolarHBondContact O-N 3.43Å; T9-L12 PolarHBondContact O-N 3.35Å; L12-V14 VanDerWaalsContact C-N 3.35Å; L12-V14 PolarHBondContact O-N 3.49Å; L12-I15 PolarHBondContact O-N 3.03Å; L12-M16 WeakPolarHBondContact O-CG 3.41Å; L12-M16 PolarHBondContact O-N 3.44Å |
| 13 | A | 82.9 | Confident | 72.3 | Confident | 49 Ų | 49 | 101.9 Ų | 101.9 | 41% | 0.405 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | T9 S10 L11 M16 V17 | T9-A13 PolarHBondContact O-N 3.05Å; T9-A13 VanDerWaalsContact O-N 3.08Å; S10-A13 PolarHBondContact O-N 3.25Å; L11-A13 VanDerWaalsContact C-N 3.33Å; L11-A13 PolarHBondContact O-N 3.21Å; A13-M16 PolarHBondContact O-N 3.48Å; A13-V17 WeakPolarHBondContact O-CG2 3.38Å; A13-V17 PolarHBondContact O-N 3.18Å |
| 14 | V | 83.5 | Confident | 72.5 | Confident | 78 Ų | 78 | 96.5 Ų | 96.5 | 47% | 0.473 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 177.1 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | S10 L11 L12 M16 V17 L18 | S10-V14 WeakPolarHBondContact O-CG2 3.46Å; S10-V14 PolarHBondContact O-N 3.44Å; L11-V14 PolarHBondContact O-N 3.08Å; L12-V14 VanDerWaalsContact C-N 3.35Å; L12-V14 PolarHBondContact O-N 3.49Å; V14-M16 VanDerWaalsContact C-N 3.34Å; V14-M16 PolarHBondContact O-N 3.34Å; V14-V17 PolarHBondContact O-N 3.08Å; V14-L18 HydrophobicContact CG1-CD1 4.11Å; V14-L18 WeakPolarHBondContact O-CG 3.49Å; V14-L18 PolarHBondContact O-N 3.45Å; V14-L18 VanDerWaalsContact O-N 3.08Å |
| 15 | I | 86 | Confident | 72.4 | Confident | 73 Ų | 73 | 95 Ų | 95 | 37% | 0.374 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 178.1 | -66.9 | 165.9 | 0 | 0 | 0 | 111.2 | L11 L12 V17 L18 M19 | L11-I15 HydrophobicContact CG-CD1 4.07Å; L11-I15 WeakPolarHBondContact O-CG1 3.37Å; L11-I15 PolarHBondContact O-N 3.4Å; L12-I15 PolarHBondContact O-N 3.03Å; I15-V17 PolarHBondContact O-N 3.39Å; I15-L18 PolarHBondContact O-N 3.03Å; I15-M19 HydrophobicContact CG2-CG 4.48Å; I15-M19 WeakPolarHBondContact O-CG 3.42Å; I15-M19 PolarHBondContact O-N 3.31Å |
| 16 | M | 84.4 | Confident | 72.5 | Confident | 123 Ų | 123 | 97.6 Ų | 97.6 | 61% | 0.606 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.4 | -42.4 | 178.4 | -76.3 | -170.4 | -86.8 | 0 | 0 | 112.4 | L12 A13 V14 M19 V20 | L12-M16 WeakPolarHBondContact O-CG 3.41Å; L12-M16 PolarHBondContact O-N 3.44Å; A13-M16 PolarHBondContact O-N 3.48Å; V14-M16 VanDerWaalsContact C-N 3.34Å; V14-M16 PolarHBondContact O-N 3.34Å; M16-M19 PolarHBondContact O-N 2.99Å; M16-V20 PolarHBondContact O-N 3.23Å |
| 17 | V | 83.6 | Confident | 72.3 | Confident | 88 Ų | 88 | 94.5 Ų | 94.5 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 176.7 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | A13 V14 I15 M19 V20 M21 | A13-V17 WeakPolarHBondContact O-CG2 3.38Å; A13-V17 PolarHBondContact O-N 3.18Å; V14-V17 PolarHBondContact O-N 3.08Å; I15-V17 PolarHBondContact O-N 3.39Å; V17-M19 PolarHBondContact O-N 3.46Å; V17-V20 PolarHBondContact O-N 3.47Å; V17-M21 WeakPolarHBondContact O-CG 3.44Å; V17-M21 PolarHBondContact O-N 2.94Å |
| 18 | L | 83.4 | Confident | 72 | Confident | 97 Ų | 97 | 94.1 Ų | 94.1 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 177.1 | -70.9 | 170.6 | 0 | 0 | 0 | 112.1 | V14 I15 V20 M21 I22 | V14-L18 HydrophobicContact CG1-CD1 4.11Å; V14-L18 WeakPolarHBondContact O-CG 3.49Å; V14-L18 PolarHBondContact O-N 3.45Å; V14-L18 VanDerWaalsContact O-N 3.08Å; I15-L18 PolarHBondContact O-N 3.03Å; L18-V20 VanDerWaalsContact C-N 3.35Å; L18-V20 PolarHBondContact O-N 3.36Å; L18-M21 PolarHBondContact O-N 3.01Å; L18-I22 WeakPolarHBondContact O-CB 3.29Å; L18-I22 WeakPolarHBondContact O-CD1 3.42Å; L18-I22 VanDerWaalsContact O-CG1 3.24Å; L18-I22 WeakPolarHBondContact O-CG1 3.45Å; L18-I22 PolarHBondContact O-N 3.42Å |
| 19 | M | 79.5 | Confident | 71.6 | Confident | 106 Ų | 106 | 91.5 Ų | 91.5 | 52% | 0.522 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 178.3 | -71.9 | -70.2 | 171.7 | 0 | 0 | 112.7 | I15 M16 V17 I22 N23 | I15-M19 HydrophobicContact CG2-CG 4.48Å; I15-M19 WeakPolarHBondContact O-CG 3.42Å; I15-M19 PolarHBondContact O-N 3.31Å; M16-M19 PolarHBondContact O-N 2.99Å; V17-M19 PolarHBondContact O-N 3.46Å; M19-I22 PolarHBondContact O-N 3.44Å; M19-N23 WeakPolarHBondContact O-CB 3.39Å; M19-N23 VanDerWaalsContact O-CG 3.3Å; M19-N23 PolarHBondContact O-N 3.35Å; M19-N23 PolarHBondContact O-ND2 3.39Å |
| 20 | V | 79.4 | Confident | 70.9 | Confident | 91 Ų | 91 | 92.5 Ų | 92.5 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64 | -45.3 | 175.7 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | M16 V17 L18 I22 N23 V24 | M16-V20 PolarHBondContact O-N 3.23Å; V17-V20 PolarHBondContact O-N 3.47Å; L18-V20 VanDerWaalsContact C-N 3.35Å; L18-V20 PolarHBondContact O-N 3.36Å; V20-I22 PolarHBondContact O-N 3.17Å; V20-N23 PolarHBondContact O-N 3.45Å; V20-V24 WeakPolarHBondContact O-CG2 3.34Å; V20-V24 PolarHBondContact O-N 3.03Å |
| 21 | M | 76.3 | Confident | 69.8 | Low | 121 Ų | 121 | 95 Ų | 95 | 60% | 0.596 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.4 | -44 | 178.1 | -66.7 | -67 | -178.8 | 0 | 0 | 111.8 | V17 L18 V24 S25 | V17-M21 WeakPolarHBondContact O-CG 3.44Å; V17-M21 PolarHBondContact O-N 2.94Å; L18-M21 PolarHBondContact O-N 3.01Å; M21-V24 PolarHBondContact O-N 3.03Å; M21-S25 PolarHBondContact O-N 2.97Å; M21-S25 PolarHBondContact O-OG 3.27Å |
| 22 | I | 73.2 | Confident | 68.4 | Low | 78 Ų | 78 | 92.5 Ų | 92.5 | 40% | 0.4 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 178.3 | -69.7 | 166.4 | 0 | 0 | 0 | 111 | L18 M19 V20 V24 S25 Y26 | L18-I22 WeakPolarHBondContact O-CB 3.29Å; L18-I22 WeakPolarHBondContact O-CD1 3.42Å; L18-I22 VanDerWaalsContact O-CG1 3.24Å; L18-I22 WeakPolarHBondContact O-CG1 3.45Å; L18-I22 PolarHBondContact O-N 3.42Å; M19-I22 PolarHBondContact O-N 3.44Å; V20-I22 PolarHBondContact O-N 3.17Å; I22-V24 PolarHBondContact O-N 3.37Å; I22-S25 PolarHBondContact O-N 3.23Å; I22-Y26 HydrophobicContact CG2-CD2 3.52Å; I22-Y26 HydrophobicContact CG2-CE2 3.27Å; I22-Y26 WeakPolarHBondContact O-CD2 3.19Å; I22-Y26 PolarHBondContact O-N 3.31Å |
| 23 | N | 59.8 | Low | 67 | Low | 105 Ų | 105 | 93.6 Ų | 93.6 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.8 | -38.3 | 178.9 | -74.5 | -18.2 | 0 | 0 | 0 | 112.6 | M19 V20 S25 Y26 S27 | M19-N23 WeakPolarHBondContact O-CB 3.39Å; M19-N23 VanDerWaalsContact O-CG 3.3Å; M19-N23 PolarHBondContact O-N 3.35Å; M19-N23 PolarHBondContact O-ND2 3.39Å; V20-N23 PolarHBondContact O-N 3.45Å; N23-S25 VanDerWaalsContact C-N 3.32Å; N23-Y26 PolarHBondContact O-N 3.05Å; N23-S27 PolarHBondContact O-N 3.47Å |
| 24 | V | 60.7 | Low | 65.4 | Low | 76 Ų | 76 | 97.5 Ų | 97.5 | 46% | 0.461 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 174 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | V20 M21 I22 S27 H28 | V20-V24 WeakPolarHBondContact O-CG2 3.34Å; V20-V24 PolarHBondContact O-N 3.03Å; M21-V24 PolarHBondContact O-N 3.03Å; I22-V24 PolarHBondContact O-N 3.37Å; V24-S27 PolarHBondContact O-N 3.04Å; V24-H28 PolarHBondContact O-N 3.43Å; V24-H28 PolarHBondContact O-ND1 3.35Å |
| 25 | S | 57.9 | Low | 63.9 | Low | 80 Ų | 80 | 102.7 Ų | 102.7 | 56% | 0.559 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.4 | -39.2 | 175.3 | -62.1 | 0 | 0 | 0 | 0 | 112.9 | M21 I22 N23 H28 A29 | M21-S25 PolarHBondContact O-N 2.97Å; M21-S25 PolarHBondContact O-OG 3.27Å; I22-S25 PolarHBondContact O-N 3.23Å; N23-S25 VanDerWaalsContact C-N 3.32Å; S25-H28 PolarHBondContact O-N 3Å; S25-A29 WeakPolarHBondContact O-CB 3.49Å; S25-A29 PolarHBondContact O-N 2.92Å |
| 26 | Y | 57.9 | Low | 62.2 | Low | 149 Ų | 149 | 106 Ų | 106 | 58% | 0.584 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.8 | -38.3 | 174.9 | -82.1 | -66.8 | 0 | 0 | 0 | 112.5 | I22 N23 H28 A29 I30 | I22-Y26 HydrophobicContact CG2-CD2 3.52Å; I22-Y26 HydrophobicContact CG2-CE2 3.27Å; I22-Y26 WeakPolarHBondContact O-CD2 3.19Å; I22-Y26 PolarHBondContact O-N 3.31Å; N23-Y26 PolarHBondContact O-N 3.05Å; Y26-H28 VanDerWaalsContact C-N 3.31Å; Y26-H28 PolarHBondContact O-N 3.19Å; Y26-A29 PolarHBondContact O-N 3.47Å; Y26-I30 VanDerWaalsContact O-CG1 3.3Å; Y26-I30 WeakPolarHBondContact O-CG1 3.48Å; Y26-I30 PolarHBondContact O-N 3.17Å |
| 27 | S | 51.9 | Low | 60.6 | Low | 70 Ų | 70 | 107.4 Ų | 107.4 | 49% | 0.49 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.1 | -38.1 | 176 | -170.9 | 0 | 0 | 0 | 0 | 112.5 | N23 V24 H31 | N23-S27 PolarHBondContact O-N 3.47Å; V24-S27 PolarHBondContact O-N 3.04Å; S27-H31 PolarHBondContact O-N 3.02Å |
| 28 | H | 50 | Low | 58.7 | Low | 128 Ų | 128 | 107.9 Ų | 107.9 | 59% | 0.593 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -74.9 | -35.8 | 177.4 | -72.8 | 101.8 | 0 | 0 | 0 | 112.4 | V24 S25 Y26 H31 A32 | V24-H28 PolarHBondContact O-N 3.43Å; V24-H28 PolarHBondContact O-ND1 3.35Å; S25-H28 PolarHBondContact O-N 3Å; Y26-H28 VanDerWaalsContact C-N 3.31Å; Y26-H28 PolarHBondContact O-N 3.19Å; H28-H31 PolarHBondContact O-N 3.42Å; H28-A32 WeakPolarHBondContact O-CB 3.24Å; H28-A32 PolarHBondContact O-N 3.34Å |
| 29 | A | 52.7 | Low | 56.9 | Low | 42 Ų | 42 | 111.2 Ų | 111.2 | 35% | 0.347 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -71 | -34.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | S25 Y26 A32 N33 | S25-A29 WeakPolarHBondContact O-CB 3.49Å; S25-A29 PolarHBondContact O-N 2.92Å; Y26-A29 PolarHBondContact O-N 3.47Å; A29-A32 PolarHBondContact O-N 3.32Å; A29-N33 VanDerWaalsContact O-CB 3.31Å; A29-N33 WeakPolarHBondContact O-CB 3.32Å; A29-N33 PolarHBondContact O-N 3.47Å |
| 30 | I | 52.7 | Low | 55.4 | Low | 105 Ų | 105 | 111.4 Ų | 111.4 | 54% | 0.538 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70.2 | -35.5 | 176.2 | -66.1 | 166.3 | 0 | 0 | 0 | 110.8 | Y26 H34 | Y26-I30 VanDerWaalsContact O-CG1 3.3Å; Y26-I30 WeakPolarHBondContact O-CG1 3.48Å; Y26-I30 PolarHBondContact O-N 3.17Å; I30-H34 PolarHBondContact O-N 2.86Å |
| 31 | H | 50.7 | Low | 53.8 | Low | 129 Ų | 129 | 112.7 Ų | 112.7 | 60% | 0.597 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.2 | -46.7 | 170.8 | -84 | 176.5 | 0 | 0 | 0 | 111.8 | S27 H28 N33 H34 Y35 | S27-H31 PolarHBondContact O-N 3.02Å; H28-H31 PolarHBondContact O-N 3.42Å; H31-N33 PolarHBondContact O-N 3.02Å; H31-H34 PolarHBondContact O-N 2.94Å; H31-Y35 WeakPolarHBondContact O-CD2 3.3Å |
| 32 | A | 49.2 | Very low | 52.4 | Low | 52 Ų | 52 | 113.1 Ų | 113.1 | 43% | 0.43 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65 | -40.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | H28 A29 H34 Y35 | H28-A32 WeakPolarHBondContact O-CB 3.24Å; H28-A32 PolarHBondContact O-N 3.34Å; A29-A32 PolarHBondContact O-N 3.32Å; A32-H34 PolarHBondContact O-N 3.47Å; A32-Y35 PolarHBondContact O-N 3.29Å |
| 33 | N | 50.7 | Low | 50.9 | Low | 125 Ų | 125 | 116 Ų | 116 | 67% | 0.668 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -74.2 | -9.7 | 179.7 | -72 | -7.9 | 0 | 0 | 0 | 113.8 | A29 H31 | A29-N33 VanDerWaalsContact O-CB 3.31Å; A29-N33 WeakPolarHBondContact O-CB 3.32Å; A29-N33 PolarHBondContact O-N 3.47Å; H31-N33 PolarHBondContact O-N 3.02Å |
| 34 | H | 49.1 | Very low | 50.1 | Low | 131 Ų | 131 | 115.3 Ų | 115.3 | 61% | 0.606 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -86.7 | -13.9 | 173.1 | -111.4 | -57.7 | 0 | 0 | 0 | 113.4 | I30 H31 A32 | I30-H34 PolarHBondContact O-N 2.86Å; H31-H34 PolarHBondContact O-N 2.94Å; A32-H34 PolarHBondContact O-N 3.47Å |
| 35 | Y | 51.9 | Low | 49.5 | Very low | 188 Ų | 188 | 119.9 Ų | 119.9 | 74% | 0.737 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -102.8 | -13.7 | -176.6 | -75.6 | -70.3 | 0 | 0 | 0 | 114.8 | H31 A32 | H31-Y35 WeakPolarHBondContact O-CD2 3.3Å; A32-Y35 PolarHBondContact O-N 3.29Å |
| 36 | D | 51.5 | Low | 48.8 | Very low | 142 Ų | 142 | 122.2 Ų | 122.2 | 76% | 0.759 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -95.2 | -15.6 | -174.5 | -92.4 | -21.9 | 0 | 0 | 0 | 115.3 | | |
| 37 | D | 49.6 | Very low | 48.3 | Very low | 152 Ų | 152 | 123 Ų | 123 | 81% | 0.813 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -121.7 | 9.4 | -175.1 | -85.4 | -20 | 0 | 0 | 0 | 114.8 | | |
| 38 | N | 44.7 | Very low | 47.9 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 52% | 0.524 | 67% | 0.673 | S | S | . | * | | | trans | -115.3 | 92.8 | 173.6 | -98.4 | 0.9 | 0 | 0 | 0 | 110.3 | L40 | N38-L40 HydrophobicContact CB-CB 3.66Å; N38-L40 PolarHBondContact O-N 3.46Å |
| 39 | D | 44.6 | Very low | 47.7 | Very low | 167 Ų | 167 | 127.4 Ų | 127.4 | 89% | 0.893 | 68% | 0.681 | S | S | * | * | | | trans | -52.9 | 64.7 | 133.9 | -174 | 28.4 | 0 | 0 | 0 | 109 | | |
| 40 | L | 49.7 | Very low | 47.3 | Very low | 110 Ų | 110 | 136 Ų | 136 | 58% | 0.576 | 71% | 0.706 | S | S | * | * | | | trans | -118.7 | 94.8 | 174.3 | -171.8 | 71.5 | 0 | 0 | 0 | 105.6 | N38 T42 | N38-L40 HydrophobicContact CB-CB 3.66Å; N38-L40 PolarHBondContact O-N 3.46Å; L40-T42 VanDerWaalsContact C-N 3.27Å; L40-T42 PolarHBondContact O-N 2.93Å |
| 41 | V | 45.7 | Very low | 47 | Very low | 119 Ų | 119 | 138 Ų | 138 | 72% | 0.721 | 71% | 0.713 | S | S | * | * | | | trans | -10.8 | 84.3 | 145.6 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | D43 | V41-D43 VanDerWaalsContact C-N 3.28Å; V41-D43 HydrophobicContact CG1-CB 4.15Å |
| 42 | T | 47 | Very low | 46.6 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | | | trans | -104.7 | 58 | 148.9 | 51.6 | 0 | 0 | 0 | 0 | 106.2 | L40 | L40-T42 VanDerWaalsContact C-N 3.27Å; L40-T42 PolarHBondContact O-N 2.93Å |
| 43 | D | 41.6 | Very low | 46.3 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | | | trans | -72.9 | 134.9 | 146.6 | -167.2 | 12.4 | 0 | 0 | 0 | 105.4 | V41 | V41-D43 VanDerWaalsContact C-N 3.28Å; V41-D43 HydrophobicContact CG1-CB 4.15Å |
| 44 | S | 43.1 | Very low | 46.1 | Very low | 89 Ų | 89 | 145.6 Ų | 145.6 | 62% | 0.622 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 79.9 | 109.3 | -170.8 | 80.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 45 | L | 48.4 | Very low | 45.8 | Very low | 173 Ų | 173 | 143 Ų | 143 | 91% | 0.906 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 153.5 | 8.4 | 133.3 | -82.7 | 149.7 | 0 | 0 | 0 | 114.6 | | |
| 46 | D | 42.7 | Very low | 45.4 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 68% | 0.684 | 76% | 0.757 | S | S | * | * | | | trans | -133.2 | 66.7 | 170.4 | -149.3 | 4.3 | 0 | 0 | 0 | 110.7 | N48 | D46-N48 PolarHBondContact OD1-ND2 3.27Š|
| 47 | D | 47.4 | Very low | 45.1 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | | | trans | -123.8 | 103.3 | 146.1 | -97.3 | -24.7 | 0 | 0 | 0 | 107.9 | E49 | D47-E49 PolarHBondContact O-N 3.48Å; D47-E49 VanDerWaalsContact O-N 3.09Å |
| 48 | N | 43.4 | Very low | 44.9 | Very low | 130 Ų | 130 | 135 Ų | 135 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | | | trans | -60.1 | 98.1 | 171 | -66 | -82.5 | 0 | 0 | 0 | 109.4 | D46 | D46-N48 PolarHBondContact OD1-ND2 3.27Š|
| 49 | E | 45.8 | Very low | 45.2 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | | | trans | -139.6 | 90 | 162.4 | -154.7 | 154.6 | -142.5 | 0 | 0 | 109.7 | D47 E51 | D47-E49 PolarHBondContact O-N 3.48Å; D47-E49 VanDerWaalsContact O-N 3.09Å; E49-E51 VanDerWaalsContact C-N 3.29Å; E49-E51 HydrophobicContact CG-CG 4.14Å; E49-E51 PolarHBondContact O-N 3.46Å |
| 50 | Y | 44.1 | Very low | 45.3 | Very low | 224 Ų | 224 | 140.5 Ų | 140.5 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | | | trans | -66.3 | 89.7 | 163.5 | -76.9 | -93.9 | 0 | 0 | 0 | 108.4 | | |
| 51 | E | 46.6 | Very low | 45.3 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | | | trans | -128.6 | 80.6 | 162 | -68.3 | -155.6 | 177.5 | 0 | 0 | 109.8 | E49 E53 | E49-E51 VanDerWaalsContact C-N 3.29Å; E49-E51 HydrophobicContact CG-CG 4.14Å; E49-E51 PolarHBondContact O-N 3.46Å; E51-E53 PolarHBondContact O-N 3.28Å; E51-E53 VanDerWaalsContact O-N 3.15Å |
| 52 | D | 42.8 | Very low | 45.5 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | | | trans | -67 | 90.1 | 148.1 | 161.5 | 21 | 0 | 0 | 0 | 107 | | |
| 53 | E | 41.9 | Very low | 45.2 | Very low | 151 Ų | 151 | 145.4 Ų | 145.4 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -146.3 | 104.5 | 157.2 | -70.5 | -159.8 | 178.9 | 0 | 0 | 109.9 | E51 | E51-E53 PolarHBondContact O-N 3.28Å; E51-E53 VanDerWaalsContact O-N 3.15Å |
| 54 | N | 46.7 | Very low | 45.6 | Very low | 153 Ų | 153 | 145.3 Ų | 145.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | 82.9 | 105.4 | 158.6 | -52.1 | -43.4 | 0 | 0 | 0 | 118.6 | | |
| 55 | G | 42.3 | Very low | 45.9 | Very low | 76 Ų | 76 | 147.2 Ų | 147.2 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | | | | 117.6 | 119 | 114.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 56 | A | 44.9 | Very low | 46.1 | Very low | 97 Ų | 97 | 149 Ų | 149 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | 74.2 | 100.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 57 | G | 44.6 | Very low | 46.1 | Very low | 68 Ų | 68 | 151.8 Ų | 151.8 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | cis | 70.6 | 102.2 | 37.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 58 | D | 44.8 | Very low | 46.3 | Very low | 149 Ų | 149 | 150.2 Ų | 150.2 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | trans | 83.1 | 94.8 | 175.8 | -62 | -21.7 | 0 | 0 | 0 | 118.4 | | |
| 59 | Y | 51 | Low | 46.5 | Very low | 237 Ų | 237 | 153.9 Ų | 153.9 | 93% | 0.929 | 79% | 0.792 | S | S | * | * | | | trans | -124.8 | 107.4 | 136.8 | -65.4 | -76.1 | 0 | 0 | 0 | 108.5 | | |
| 60 | D | 47.8 | Very low | 46.6 | Very low | 144 Ų | 144 | 149.3 Ų | 149.3 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | trans | -73.3 | 165.1 | 169.1 | -159.4 | -5.4 | 0 | 0 | 0 | 110.1 | | |
| 61 | E | 49.3 | Very low | 47 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 71% | 0.71 | 76% | 0.76 | S | S | * | * | | | trans | 94.5 | 119.7 | 158.7 | -56.3 | -176.3 | -179.9 | 0 | 0 | 121.1 | | |
| 62 | N | 49 | Very low | 47.5 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | | | trans | 84.9 | 96.5 | 149.7 | -56.6 | -28.2 | 0 | 0 | 0 | 116.3 | | |
| 63 | E | 40.5 | Very low | 48.1 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | | 60.9 | 124.8 | 72.7 | -154.8 | 169.9 | -138.8 | 0 | 0 | 111.5 | | |
| 64 | D | 50.8 | Low | 48.5 | Very low | 138 Ų | 138 | 138 Ų | 138 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | | | trans | 84.4 | 92.5 | -177.8 | -61.7 | -23.8 | 0 | 0 | 0 | 117.5 | | |
| 65 | T | 49.8 | Very low | 49 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | | | | 169.7 | 111 | 101.9 | 27.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 66 | Y | 52 | Low | 49.6 | Very low | 211 Ų | 211 | 139.3 Ų | 139.3 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | | | trans | 29.6 | 106 | 144.2 | -64.9 | -86.2 | 0 | 0 | 0 | 120.9 | | |
| 67 | E | 42.2 | Very low | 50.1 | Low | 187 Ų | 187 | 141.2 Ų | 141.2 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | | | | 5.4 | 111.5 | 126.7 | -58 | 176.7 | -178.2 | 0 | 0 | 116.8 | | |
| 68 | N | 51.8 | Low | 50.5 | Low | 132 Ų | 132 | 147.7 Ų | 147.7 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | trans | -160.2 | 71.6 | 132.5 | -143.6 | -18.4 | 0 | 0 | 0 | 112.3 | G70 | N68-G70 VanDerWaalsContact C-N 3.33Å; N68-G70 PolarHBondContact O-N 3.25Å |
| 69 | E | 48.1 | Very low | 50.8 | Low | 208 Ų | 208 | 151.6 Ų | 151.6 | 97% | 0.972 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 91.5 | 159.8 | -66.6 | -162.4 | 178.9 | 0 | 0 | 108.8 | | |
| 70 | G | 48.4 | Very low | 50.5 | Low | 63 Ų | 63 | 151.4 Ų | 151.4 | 65% | 0.649 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -175 | -11.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | N68 | N68-G70 VanDerWaalsContact C-N 3.33Å; N68-G70 PolarHBondContact O-N 3.25Å |
| 71 | V | 51.8 | Low | 50.3 | Low | 52 Ų | 52 | 147.6 Ų | 147.6 | 32% | 0.315 | 73% | 0.733 | S | S | . | * | | | trans | -130.4 | 40.5 | -165.9 | -154 | 0 | 0 | 0 | 0 | 113.9 | N73 D74 F77 | V71-N73 VanDerWaalsContact C-N 3.35Å; V71-D74 HydrophobicContact CG1-CB 3.76Å; V71-F77 HydrophobicContact CB-CD2 4.14Å; V71-F77 HydrophobicContact CB-CE2 4.13Å; V71-F77 HydrophobicContact CG1-CB 4.34Å; V71-F77 HydrophobicContact CG1-CD2 3.38Å; V71-F77 HydrophobicContact CG1-CE2 3.8Å; V71-F77 HydrophobicContact CG1-CG 3.98Å; V71-F77 HydrophobicContact CG2-CE2 4.37Å |
| 72 | L | 57.5 | Low | 50.3 | Low | 159 Ų | 159 | 149.4 Ų | 149.4 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -82.9 | -8.2 | 171.2 | -90.1 | 145.7 | 0 | 0 | 0 | 113.8 | | |
| 73 | N | 54.2 | Low | 49.9 | Very low | 162 Ų | 162 | 153.9 Ų | 153.9 | 87% | 0.866 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -120.6 | 10.1 | -174.4 | -79.4 | -27.3 | 0 | 0 | 0 | 115.2 | V71 P75 | V71-N73 VanDerWaalsContact C-N 3.35Å; N73-P75 VanDerWaalsContact O-CD 3.29Å; N73-P75 WeakPolarHBondContact O-CD 3.47Å |
| 74 | D | 51.1 | Low | 50 | Low | 72 Ų | 72 | 153.5 Ų | 153.5 | 39% | 0.385 | 75% | 0.754 | S | S | . | * | | | trans | -98.1 | 108.6 | 176.1 | -162.7 | -23.6 | 0 | 0 | 0 | 111.2 | V71 Q76 F77 | V71-D74 HydrophobicContact CG1-CB 3.76Å; D74-Q76 PolarHBondContact O-N 2.78Å; D74-Q76 WeakPolarHBondContact OD1-CB 3.31Å; D74-Q76 WeakPolarHBondContact OD1-CG 3.41Å; D74-Q76 PolarHBondContact OD1-N 2.76Å; D74-F77 WeakPolarHBondContact O-CB 3.11Å; D74-F77 PolarHBondContact O-N 2.97Å |
| 75 | P | 58 | Low | 49.4 | Very low | 106 Ų | 106 | 159.8 Ų | 159.8 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -7.3 | 177.5 | 22.8 | -29.9 | 0 | 0 | 0 | 113.9 | N73 | N73-P75 VanDerWaalsContact O-CD 3.29Å; N73-P75 WeakPolarHBondContact O-CD 3.47Å |
| 76 | Q | 55.1 | Low | 49.3 | Very low | 151 Ų | 151 | 161.4 Ų | 161.4 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -18.3 | 173.2 | -57.9 | -166 | -6.9 | 0 | 0 | 113.7 | D74 Y78 R79 | D74-Q76 PolarHBondContact O-N 2.78Å; D74-Q76 WeakPolarHBondContact OD1-CB 3.31Å; D74-Q76 WeakPolarHBondContact OD1-CG 3.41Å; D74-Q76 PolarHBondContact OD1-N 2.76Å; Q76-Y78 VanDerWaalsContact C-N 3.31Å; Q76-Y78 PolarHBondContact O-N 3.09Å; Q76-R79 PolarHBondContact O-N 3.01Å |
| 77 | F | 54.6 | Low | 49.2 | Very low | 138 Ų | 138 | 158.8 Ų | 158.8 | 61% | 0.605 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -67.3 | -33.7 | 178.9 | -139.5 | -99.2 | 0 | 0 | 0 | 111.8 | V71 D74 R79 | V71-F77 HydrophobicContact CB-CD2 4.14Å; V71-F77 HydrophobicContact CB-CE2 4.13Å; V71-F77 HydrophobicContact CG1-CB 4.34Å; V71-F77 HydrophobicContact CG1-CD2 3.38Å; V71-F77 HydrophobicContact CG1-CE2 3.8Å; V71-F77 HydrophobicContact CG1-CG 3.98Å; V71-F77 HydrophobicContact CG2-CE2 4.37Å; D74-F77 WeakPolarHBondContact O-CB 3.11Å; D74-F77 PolarHBondContact O-N 2.97Å; F77-R79 PolarHBondContact O-N 3.15Å |
| 78 | Y | 52.2 | Low | 49.6 | Very low | 203 Ų | 203 | 157.2 Ų | 157.2 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -74.2 | -4 | 178.2 | -72.7 | -81 | 0 | 0 | 0 | 115.1 | Q76 | Q76-Y78 VanDerWaalsContact C-N 3.31Å; Q76-Y78 PolarHBondContact O-N 3.09Å |
| 79 | R | 50.8 | Low | 49.5 | Very low | 232 Ų | 232 | 158.7 Ų | 158.7 | 88% | 0.875 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -103.9 | 1.3 | -177.4 | -92.8 | -170.7 | 178.4 | -138.5 | 0.4 | 115.1 | Q76 F77 | Q76-R79 PolarHBondContact O-N 3.01Å; F77-R79 PolarHBondContact O-N 3.15Å |
| 80 | R | 46.5 | Very low | 49.6 | Very low | 232 Ų | 232 | 155.6 Ų | 155.6 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -136.3 | 102.1 | -178.2 | -99.7 | 174.4 | 150.3 | 176.9 | -8.2 | 111.2 | | |
| 81 | G | 43.6 | Very low | 49.6 | Very low | 64 Ų | 64 | 161.8 Ų | 161.8 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | | | trans | 112 | 52.3 | 136.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 82 | H | 48.5 | Very low | 49.5 | Very low | 190 Ų | 190 | 169.6 Ų | 169.6 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | | | trans | -137.4 | 56.3 | 156.4 | -68.6 | -89.7 | 0 | 0 | 0 | 111.1 | | |
| 83 | Y | 41.1 | Very low | 48.9 | Very low | 228 Ų | 228 | 170.5 Ų | 170.5 | 89% | 0.894 | 80% | 0.799 | S | S | * | * | | | trans | -127.2 | 98.5 | 156.6 | -67.1 | -76.4 | 0 | 0 | 0 | 106.3 | | |
| 84 | N | 42.5 | Very low | 48.4 | Very low | 168 Ų | 168 | 171.2 Ų | 171.2 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | | | trans | -132.2 | 123 | 152.5 | -85.3 | -20.1 | 0 | 0 | 0 | 105.6 | | |
| 85 | E | 37 | Very low | 48.2 | Very low | 270 Ų | 270 | 180.2 Ų | 180.2 | 100% | 1.262 | 83% | 0.831 | S | S | * | * | | | trans | -54.4 | 0 | 164.3 | -67.5 | 174.1 | 152.8 | 0 | 0 | 112.1 | | |