| 1 | M | 36.1 | Very low | 42.6 | Very low | 242 Ų | 242 | 163.9 Ų | 163.9 | 100% | 1.192 | 83% | 0.825 | S | S | * | * | | | | 0 | 123.2 | 0 | -69.9 | 177.4 | -169.3 | 0 | 0 | 108.4 | R3 | M1-R3 PolarHBondContact O-N 3.46Š|
| 2 | R | 38.7 | Very low | 44.2 | Very low | 247 Ų | 247 | 161.6 Ų | 161.6 | 93% | 0.932 | 83% | 0.833 | S | S | * | * | | | trans | -62.5 | 115.2 | -177.7 | -167.7 | 169 | 166 | 141.1 | -6.3 | 107.5 | Q4 | R2-Q4 PolarHBondContact O-N 3.43Š|
| 3 | R | 43.5 | Very low | 46.6 | Very low | 237 Ų | 237 | 154.5 Ų | 154.5 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | | | trans | -57.1 | 112.3 | 177.2 | -72.1 | -178.3 | 177.7 | 177.1 | -1.2 | 106.9 | M1 L5 | M1-R3 PolarHBondContact O-N 3.46Å; R3-L5 PolarHBondContact O-N 3.13Å |
| 4 | Q | 38.9 | Very low | 48.8 | Very low | 167 Ų | 167 | 147.1 Ų | 147.1 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | | | trans | -50.5 | 116.7 | 167.7 | -86.1 | 166.3 | -62.1 | 0 | 0 | 106 | R2 D6 | R2-Q4 PolarHBondContact O-N 3.43Å; Q4-D6 PolarHBondContact O-N 3.04Å |
| 5 | L | 43.3 | Very low | 51.1 | Low | 168 Ų | 168 | 148.4 Ų | 148.4 | 88% | 0.88 | 77% | 0.766 | S | S | * | * | | | trans | -64 | 81.2 | 153.9 | -86.8 | 133.1 | 0 | 0 | 0 | 104.3 | R3 G7 | R3-L5 PolarHBondContact O-N 3.13Å; L5-G7 PolarHBondContact O-N 2.62Å; L5-G7 VanDerWaalsContact O-N 3.11Å |
| 6 | D | 38.9 | Very low | 53.3 | Low | 123 Ų | 123 | 152.6 Ų | 152.6 | 66% | 0.658 | 77% | 0.769 | S | S | * | * | | | trans | -50.8 | 121.7 | 161.3 | -88.7 | -49.2 | 0 | 0 | 0 | 105.3 | Q4 F8 | Q4-D6 PolarHBondContact O-N 3.04Å; D6-F8 PolarHBondContact O-N 3.27Å |
| 7 | G | 37.2 | Very low | 55 | Low | 65 Ų | 65 | 150.3 Ų | 150.3 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | | | trans | -47.2 | 110.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | L5 D9 | L5-G7 PolarHBondContact O-N 2.62Å; L5-G7 VanDerWaalsContact O-N 3.11Å; G7-D9 PolarHBondContact O-N 3.39Å |
| 8 | F | 44.9 | Very low | 56.6 | Low | 193 Ų | 193 | 148.6 Ų | 148.6 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | | | trans | -61.3 | 95.3 | 156.4 | -90.6 | -90.6 | 0 | 0 | 0 | 103.5 | D6 S10 | D6-F8 PolarHBondContact O-N 3.27Å; F8-S10 VanDerWaalsContact C-N 3.27Å; F8-S10 PolarHBondContact O-N 3.25Å |
| 9 | D | 44.2 | Very low | 58.2 | Low | 148 Ų | 148 | 145.3 Ų | 145.3 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | | | trans | -30.1 | 105.4 | 152 | -77.8 | -54 | 0 | 0 | 0 | 104.9 | G7 P11 | G7-D9 PolarHBondContact O-N 3.39Å; D9-P11 VanDerWaalsContact C-N 3.32Å; D9-P11 WeakPolarHBondContact O-CD 3.17Å |
| 10 | S | 48.8 | Very low | 59.8 | Low | 106 Ų | 106 | 146.2 Ų | 146.2 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | | | trans | -59.2 | 109.4 | 172.3 | -71.1 | 0 | 0 | 0 | 0 | 102.7 | F8 C12 | F8-S10 VanDerWaalsContact C-N 3.27Å; F8-S10 PolarHBondContact O-N 3.25Å; S10-C12 PolarHBondContact O-N 3.41Å; S10-C12 VanDerWaalsContact O-N 3.09Å |
| 11 | P | 54.6 | Low | 61.1 | Low | 107 Ų | 107 | 142.9 Ų | 142.9 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | | | trans | -54.2 | 132.4 | 176.6 | 23.3 | -31.2 | 0 | 0 | 0 | 104.5 | D9 I13 | D9-P11 VanDerWaalsContact C-N 3.32Å; D9-P11 WeakPolarHBondContact O-CD 3.17Å; P11-I13 PolarHBondContact O-N 2.67Å |
| 12 | C | 61.6 | Low | 63.6 | Low | 136 Ų | 136 | 135 Ų | 135 | 92% | 0.919 | 67% | 0.672 | S | S | * | * | | | trans | -59.5 | 81.1 | 174.2 | -51.8 | 0 | 0 | 0 | 0 | 106.5 | S10 S14 | S10-C12 PolarHBondContact O-N 3.41Å; S10-C12 VanDerWaalsContact O-N 3.09Å; C12-S14 PolarHBondContact O-N 3.04Å |
| 13 | I | 74.8 | Confident | 66.1 | Low | 69 Ų | 69 | 130.6 Ų | 130.6 | 35% | 0.354 | 66% | 0.656 | S | S | . | * | | | trans | -67.3 | 132.2 | -177.8 | -177.1 | 166.2 | 0 | 0 | 0 | 104.6 | P11 E15 E17 Y18 L21 | P11-I13 PolarHBondContact O-N 2.67Å; I13-E15 PolarHBondContact O-N 3.48Å; I13-E17 HydrophobicContact CD1-CB 3.69Å; I13-E17 HydrophobicContact CG1-CB 3.32Å; I13-Y18 HydrophobicContact CG2-CD2 4.1Å; I13-Y18 HydrophobicContact CG2-CG 4.48Å; I13-L21 HydrophobicContact CD1-CD2 4.33Å |
| 14 | S | 77.9 | Confident | 68.2 | Low | 52 Ų | 52 | 121 Ų | 121 | 36% | 0.364 | 63% | 0.631 | S | S | . | * | | | trans | -56.4 | 144.5 | 175.6 | 64.8 | 0 | 0 | 0 | 0 | 108.6 | C12 R16 E17 Y18 | C12-S14 PolarHBondContact O-N 3.04Å; S14-R16 PolarHBondContact O-N 3.18Å; S14-E17 PolarHBondContact N-OE2 2.9Å; S14-E17 PolarHBondContact O-N 3.38Å; S14-E17 WeakPolarHBondContact OG-CB 3.4Å; S14-E17 VanDerWaalsContact OG-CD 3.28Å; S14-E17 WeakPolarHBondContact OG-CG 3.5Å; S14-E17 PolarHBondContact OG-N 3.36Å; S14-E17 PolarHBondContact OG-OE2 3.16Å; S14-Y18 PolarHBondContact O-N 2.99Å |
| 15 | E | 83.9 | Confident | 70.6 | Confident | 166 Ų | 166 | 119.2 Ų | 119.2 | 78% | 0.776 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -49.6 | -37.9 | 178.3 | -175.3 | -177.2 | 176.3 | 0 | 0 | 111.1 | I13 Y18 V19 | I13-E15 PolarHBondContact O-N 3.48Å; E15-Y18 WeakPolarHBondContact O-CB 3.43Å; E15-Y18 PolarHBondContact O-N 2.64Å; E15-V19 VanDerWaalsContact O-CG2 3.28Å; E15-V19 WeakPolarHBondContact O-CG2 3.19Å; E15-V19 PolarHBondContact O-N 2.99Å |
| 16 | R | 85 | Confident | 72.9 | Confident | 216 Ų | 216 | 117.1 Ų | 117.1 | 82% | 0.815 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.4 | -47.1 | 175.6 | -170 | 179.9 | -163.6 | -174.1 | 5.6 | 113.5 | S14 Y18 V19 K20 | S14-R16 PolarHBondContact O-N 3.18Å; R16-Y18 VanDerWaalsContact C-N 3.33Å; R16-V19 PolarHBondContact O-N 2.86Å; R16-K20 PolarHBondContact O-N 2.75Å |
| 17 | E | 83 | Confident | 75.2 | Confident | 113 Ų | 113 | 115.5 Ų | 115.5 | 53% | 0.528 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.6 | -34.5 | 178.4 | -75.1 | 168.5 | 143 | 0 | 0 | 111.3 | I13 S14 K20 L21 | I13-E17 HydrophobicContact CD1-CB 3.69Å; I13-E17 HydrophobicContact CG1-CB 3.32Å; S14-E17 PolarHBondContact N-OE2 2.9Å; S14-E17 PolarHBondContact O-N 3.38Å; S14-E17 WeakPolarHBondContact OG-CB 3.4Å; S14-E17 VanDerWaalsContact OG-CD 3.28Å; S14-E17 WeakPolarHBondContact OG-CG 3.5Å; S14-E17 PolarHBondContact OG-N 3.36Å; S14-E17 PolarHBondContact OG-OE2 3.16Å; E17-K20 PolarHBondContact O-N 2.85Å; E17-L21 WeakPolarHBondContact O-CB 3.42Å; E17-L21 PolarHBondContact O-N 3.45Å |
| 18 | Y | 83.8 | Confident | 77.5 | Confident | 119 Ų | 119 | 114.2 Ų | 114.2 | 47% | 0.467 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.7 | -48.8 | 173.4 | -178.2 | -100.3 | 0 | 0 | 0 | 111 | I13 S14 E15 R16 K20 L21 Q22 | I13-Y18 HydrophobicContact CG2-CD2 4.1Å; I13-Y18 HydrophobicContact CG2-CG 4.48Å; S14-Y18 PolarHBondContact O-N 2.99Å; E15-Y18 WeakPolarHBondContact O-CB 3.43Å; E15-Y18 PolarHBondContact O-N 2.64Å; R16-Y18 VanDerWaalsContact C-N 3.33Å; Y18-K20 VanDerWaalsContact C-N 3.32Å; Y18-K20 PolarHBondContact O-N 2.75Å; Y18-L21 PolarHBondContact O-N 3.03Å; Y18-Q22 HydrophobicContact CD1-CG 4.09Å; Y18-Q22 HydrophobicContact CE1-CG 3.71Å; Y18-Q22 HydrophobicContact CE2-CG 4.22Å; Y18-Q22 VanDerWaalsContact CZ-NE2 3.33Å; Y18-Q22 WeakPolarHBondContact O-CG 3.34Å; Y18-Q22 PolarHBondContact O-N 3.38Å; Y18-Q22 PolarHBondContact OH-NE2 2.79Å |
| 19 | V | 86.5 | Confident | 79.6 | Confident | 86 Ų | 86 | 111.3 Ų | 111.3 | 52% | 0.521 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.1 | -43.7 | 176.6 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | E15 R16 L21 Q22 Y23 | E15-V19 VanDerWaalsContact O-CG2 3.28Å; E15-V19 WeakPolarHBondContact O-CG2 3.19Å; E15-V19 PolarHBondContact O-N 2.99Å; R16-V19 PolarHBondContact O-N 2.86Å; V19-L21 VanDerWaalsContact C-N 3.35Å; V19-L21 PolarHBondContact O-N 3.39Å; V19-Q22 PolarHBondContact O-N 2.77Å; V19-Y23 WeakPolarHBondContact O-CB 3.4Å; V19-Y23 PolarHBondContact O-N 3.13Å |
| 20 | K | 90.5 | Very high | 81.6 | Confident | 163 Ų | 163 | 107.9 Ų | 107.9 | 71% | 0.709 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.4 | -41.7 | 176.7 | -172.6 | -179.8 | 178.8 | -175.6 | 0 | 112 | R16 E17 Y18 Y23 G24 | R16-K20 PolarHBondContact O-N 2.75Å; E17-K20 PolarHBondContact O-N 2.85Å; Y18-K20 VanDerWaalsContact C-N 3.32Å; Y18-K20 PolarHBondContact O-N 2.75Å; K20-Y23 PolarHBondContact O-N 3.2Å; K20-G24 PolarHBondContact O-N 3.14Å |
| 21 | L | 86.4 | Confident | 83.1 | Confident | 78 Ų | 78 | 105.6 Ų | 105.6 | 41% | 0.408 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 178 | -172.4 | 68.9 | 0 | 0 | 0 | 111.4 | I13 E17 Y18 V19 G24 R25 | I13-L21 HydrophobicContact CD1-CD2 4.33Å; E17-L21 WeakPolarHBondContact O-CB 3.42Å; E17-L21 PolarHBondContact O-N 3.45Å; Y18-L21 PolarHBondContact O-N 3.03Å; V19-L21 VanDerWaalsContact C-N 3.35Å; V19-L21 PolarHBondContact O-N 3.39Å; L21-G24 PolarHBondContact O-N 2.62Å; L21-R25 WeakPolarHBondContact O-CG 3.2Å; L21-R25 PolarHBondContact O-N 3.17Å |
| 22 | Q | 89.3 | Confident | 84.5 | Confident | 77 Ų | 77 | 102.6 Ų | 102.6 | 36% | 0.36 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 175.9 | -68.3 | -59.2 | -24.1 | 0 | 0 | 111.7 | Y18 V19 R25 K26 | Y18-Q22 HydrophobicContact CD1-CG 4.09Å; Y18-Q22 HydrophobicContact CE1-CG 3.71Å; Y18-Q22 HydrophobicContact CE2-CG 4.22Å; Y18-Q22 VanDerWaalsContact CZ-NE2 3.33Å; Y18-Q22 WeakPolarHBondContact O-CG 3.34Å; Y18-Q22 PolarHBondContact O-N 3.38Å; Y18-Q22 PolarHBondContact OH-NE2 2.79Å; V19-Q22 PolarHBondContact O-N 2.77Å; Q22-R25 PolarHBondContact O-N 2.84Å; Q22-K26 PolarHBondContact O-N 3.42Å |
| 23 | Y | 90.7 | Very high | 85.5 | Confident | 154 Ų | 154 | 101.1 Ų | 101.1 | 60% | 0.604 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.9 | -43.8 | 175.6 | -171.5 | -106.1 | 0 | 0 | 0 | 112.1 | V19 K20 R25 K26 I27 | V19-Y23 WeakPolarHBondContact O-CB 3.4Å; V19-Y23 PolarHBondContact O-N 3.13Å; K20-Y23 PolarHBondContact O-N 3.2Å; Y23-R25 PolarHBondContact O-N 2.8Å; Y23-K26 PolarHBondContact O-N 3.17Å; Y23-I27 HydrophobicContact CD1-CD1 3.69Å; Y23-I27 HydrophobicContact CE1-CD1 3.29Å; Y23-I27 HydrophobicContact CE1-CG1 4.23Å; Y23-I27 PolarHBondContact O-N 3.18Å |
| 24 | G | 89.2 | Confident | 85.5 | Confident | 35 Ų | 35 | 103.3 Ų | 103.3 | 36% | 0.361 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | K20 L21 K26 I27 A28 | K20-G24 PolarHBondContact O-N 3.14Å; L21-G24 PolarHBondContact O-N 2.62Å; G24-K26 VanDerWaalsContact C-N 3.35Å; G24-K26 PolarHBondContact O-N 3.09Å; G24-I27 PolarHBondContact O-N 2.74Å; G24-A28 PolarHBondContact O-N 2.77Å; G24-A28 VanDerWaalsContact O-N 3.1Å |
| 25 | R | 88.7 | Confident | 85.3 | Confident | 130 Ų | 130 | 104.9 Ų | 104.9 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 174.2 | -76.2 | -178.6 | -179 | -144.9 | 1.3 | 111.9 | L21 Q22 Y23 A28 Q29 | L21-R25 WeakPolarHBondContact O-CG 3.2Å; L21-R25 PolarHBondContact O-N 3.17Å; Q22-R25 PolarHBondContact O-N 2.84Å; Y23-R25 PolarHBondContact O-N 2.8Å; R25-A28 PolarHBondContact O-N 3.11Å; R25-Q29 WeakPolarHBondContact O-CG 3.49Å; R25-Q29 PolarHBondContact O-N 3.12Å |
| 26 | K | 92.1 | Very high | 84.8 | Confident | 124 Ų | 124 | 102 Ų | 102 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 177.5 | -172.5 | 179.4 | 178.8 | -174.2 | 0 | 112 | Q22 Y23 G24 A28 Q29 D30 | Q22-K26 PolarHBondContact O-N 3.42Å; Y23-K26 PolarHBondContact O-N 3.17Å; G24-K26 VanDerWaalsContact C-N 3.35Å; G24-K26 PolarHBondContact O-N 3.09Å; K26-A28 VanDerWaalsContact C-N 3.32Å; K26-A28 PolarHBondContact O-N 3.07Å; K26-Q29 PolarHBondContact O-N 3.37Å; K26-D30 PolarHBondContact O-N 2.86Å |
| 27 | I | 87.1 | Confident | 84.2 | Confident | 88 Ų | 88 | 97 Ų | 97 | 45% | 0.451 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 177.1 | -68 | 169.3 | 0 | 0 | 0 | 111.3 | Y23 G24 Q29 D30 A31 | Y23-I27 HydrophobicContact CD1-CD1 3.69Å; Y23-I27 HydrophobicContact CE1-CD1 3.29Å; Y23-I27 HydrophobicContact CE1-CG1 4.23Å; Y23-I27 PolarHBondContact O-N 3.18Å; G24-I27 PolarHBondContact O-N 2.74Å; I27-Q29 VanDerWaalsContact C-N 3.34Å; I27-Q29 PolarHBondContact O-N 3.28Å; I27-D30 PolarHBondContact O-N 2.99Å; I27-A31 VanDerWaalsContact O-CB 3.31Å; I27-A31 WeakPolarHBondContact O-CB 3.24Å; I27-A31 PolarHBondContact O-N 3.2Å |
| 28 | A | 84.9 | Confident | 83.7 | Confident | 38 Ų | 38 | 99.3 Ų | 99.3 | 31% | 0.314 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G24 R25 K26 C32 | G24-A28 PolarHBondContact O-N 2.77Å; G24-A28 VanDerWaalsContact O-N 3.1Å; R25-A28 PolarHBondContact O-N 3.11Å; K26-A28 VanDerWaalsContact C-N 3.32Å; K26-A28 PolarHBondContact O-N 3.07Å; A28-C32 WeakPolarHBondContact O-CB 3.37Å; A28-C32 PolarHBondContact O-N 3.45Å |
| 29 | Q | 88.4 | Confident | 83 | Confident | 133 Ų | 133 | 98.8 Ų | 98.8 | 62% | 0.621 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.9 | -47.2 | 175.2 | -74.2 | 174.1 | -18.8 | 0 | 0 | 111.8 | R25 K26 I27 A31 C32 L33 | R25-Q29 WeakPolarHBondContact O-CG 3.49Å; R25-Q29 PolarHBondContact O-N 3.12Å; K26-Q29 PolarHBondContact O-N 3.37Å; I27-Q29 VanDerWaalsContact C-N 3.34Å; I27-Q29 PolarHBondContact O-N 3.28Å; Q29-A31 VanDerWaalsContact C-N 3.33Å; Q29-A31 PolarHBondContact O-N 3.47Å; Q29-C32 PolarHBondContact O-N 3.17Å; Q29-L33 WeakPolarHBondContact O-CB 3.31Å; Q29-L33 PolarHBondContact O-N 3.2Å |
| 30 | D | 86.2 | Confident | 82 | Confident | 76 Ų | 76 | 98.6 Ų | 98.6 | 41% | 0.406 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 178.8 | -69.4 | -14.5 | 0 | 0 | 0 | 111 | K26 I27 L33 L34 | K26-D30 PolarHBondContact O-N 2.86Å; I27-D30 PolarHBondContact O-N 2.99Å; D30-L33 PolarHBondContact O-N 3.25Å; D30-L34 VanDerWaalsContact O-CD1 3.24Å; D30-L34 WeakPolarHBondContact O-CD1 3.12Å; D30-L34 PolarHBondContact O-N 3.38Å |
| 31 | A | 81 | Confident | 80.8 | Confident | 57 Ų | 57 | 96.7 Ų | 96.7 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I27 Q29 L34 A35 | I27-A31 VanDerWaalsContact O-CB 3.31Å; I27-A31 WeakPolarHBondContact O-CB 3.24Å; I27-A31 PolarHBondContact O-N 3.2Å; Q29-A31 VanDerWaalsContact C-N 3.33Å; Q29-A31 PolarHBondContact O-N 3.47Å; A31-L34 PolarHBondContact O-N 3.36Å; A31-A35 WeakPolarHBondContact O-CB 3.34Å; A31-A35 PolarHBondContact O-N 3.33Å |
| 32 | C | 83.7 | Confident | 79.4 | Confident | 44 Ų | 44 | 101.8 Ų | 101.8 | 30% | 0.297 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 174.7 | -173.9 | 0 | 0 | 0 | 0 | 111.2 | A28 Q29 L34 A35 T36 C201 | A28-C32 WeakPolarHBondContact O-CB 3.37Å; A28-C32 PolarHBondContact O-N 3.45Å; Q29-C32 PolarHBondContact O-N 3.17Å; C32-L34 VanDerWaalsContact C-N 3.35Å; C32-L34 PolarHBondContact O-N 3.16Å; C32-A35 PolarHBondContact O-N 2.96Å; C32-A35 VanDerWaalsContact O-N 3.17Å; C32-T36 WeakPolarHBondContact O-CG2 3.45Å; C32-T36 PolarHBondContact O-N 2.75Å; C32-T36 PolarHBondContact O-OG1 3.42Å; C32-C201 VanDerWaalsContact SG-SG 3.66Å |
| 33 | L | 82.4 | Confident | 77.6 | Confident | 106 Ų | 106 | 103.3 Ų | 103.3 | 56% | 0.555 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.9 | -45.4 | 174.8 | -175.8 | 65.8 | 0 | 0 | 0 | 111.1 | Q29 D30 A35 T36 M37 | Q29-L33 WeakPolarHBondContact O-CB 3.31Å; Q29-L33 PolarHBondContact O-N 3.2Å; D30-L33 PolarHBondContact O-N 3.25Å; L33-A35 VanDerWaalsContact C-N 3.31Å; L33-A35 PolarHBondContact O-N 3.18Å; L33-T36 WeakPolarHBondContact CA-OG1 3.43Å; L33-T36 PolarHBondContact O-N 3.04Å; L33-T36 PolarHBondContact O-OG1 2.89Å; L33-M37 WeakPolarHBondContact O-CG 3.41Å; L33-M37 PolarHBondContact O-N 3.39Å; L33-M37 VanDerWaalsContact O-N 3.12Å |
| 34 | L | 75.9 | Confident | 75.6 | Confident | 114 Ų | 114 | 105.1 Ų | 105.1 | 60% | 0.597 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.1 | -39.9 | 175 | -99.3 | 78.1 | 0 | 0 | 0 | 112.7 | D30 A31 C32 T36 M37 | D30-L34 VanDerWaalsContact O-CD1 3.24Å; D30-L34 WeakPolarHBondContact O-CD1 3.12Å; D30-L34 PolarHBondContact O-N 3.38Å; A31-L34 PolarHBondContact O-N 3.36Å; C32-L34 VanDerWaalsContact C-N 3.35Å; C32-L34 PolarHBondContact O-N 3.16Å; L34-T36 VanDerWaalsContact C-N 3.3Å; L34-T36 PolarHBondContact O-N 2.98Å; L34-M37 HydrophobicContact CB-CE 4.33Å; L34-M37 HydrophobicContact CD1-CE 4.09Å; L34-M37 HydrophobicContact CG-CE 3.71Å; L34-M37 PolarHBondContact O-N 3.36Å |
| 35 | A | 72.3 | Confident | 73.2 | Confident | 86 Ų | 86 | 106.2 Ų | 106.2 | 71% | 0.711 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.4 | -27.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A31 C32 L33 | A31-A35 WeakPolarHBondContact O-CB 3.34Å; A31-A35 PolarHBondContact O-N 3.33Å; C32-A35 PolarHBondContact O-N 2.96Å; C32-A35 VanDerWaalsContact O-N 3.17Å; L33-A35 VanDerWaalsContact C-N 3.31Å; L33-A35 PolarHBondContact O-N 3.18Å |
| 36 | T | 74.3 | Confident | 70.9 | Confident | 104 Ų | 104 | 104.7 Ų | 104.7 | 64% | 0.638 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -85.6 | -15.2 | 176.5 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | C32 L33 L34 | C32-T36 WeakPolarHBondContact O-CG2 3.45Å; C32-T36 PolarHBondContact O-N 2.75Å; C32-T36 PolarHBondContact O-OG1 3.42Å; L33-T36 WeakPolarHBondContact CA-OG1 3.43Å; L33-T36 PolarHBondContact O-N 3.04Å; L33-T36 PolarHBondContact O-OG1 2.89Å; L34-T36 VanDerWaalsContact C-N 3.3Å; L34-T36 PolarHBondContact O-N 2.98Å |
| 37 | M | 72 | Confident | 68.8 | Low | 113 Ų | 113 | 105.3 Ų | 105.3 | 56% | 0.557 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -65.6 | 138 | 172.3 | -71 | -162.1 | -69.1 | 0 | 0 | 110.4 | L33 L34 T39 | L33-M37 WeakPolarHBondContact O-CG 3.41Å; L33-M37 PolarHBondContact O-N 3.39Å; L33-M37 VanDerWaalsContact O-N 3.12Å; L34-M37 HydrophobicContact CB-CE 4.33Å; L34-M37 HydrophobicContact CD1-CE 4.09Å; L34-M37 HydrophobicContact CG-CE 3.71Å; L34-M37 PolarHBondContact O-N 3.36Å; M37-T39 PolarHBondContact O-N 3.28Å; M37-T39 VanDerWaalsContact O-N 3.11Å |
| 38 | K | 72.8 | Confident | 66.6 | Low | 160 Ų | 160 | 103.8 Ų | 103.8 | 70% | 0.696 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 120.3 | 173.4 | -174.7 | 175.6 | 175.8 | -173.5 | 0 | 108.4 | D41 | K38-D41 WeakPolarHBondContact CE-OD2 3.38Å; K38-D41 IonicContact NZ-OD2 2.75Å; K38-D41 PolarHBondContact NZ-OD2 2.89Å |
| 39 | T | 68.2 | Low | 64.2 | Low | 108 Ų | 108 | 111 Ų | 111 | 66% | 0.663 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 129.3 | 169.6 | 50.7 | 0 | 0 | 0 | 0 | 107.7 | M37 D41 | M37-T39 PolarHBondContact O-N 3.28Å; M37-T39 VanDerWaalsContact O-N 3.11Å; T39-D41 PolarHBondContact O-N 2.95Å |
| 40 | P | 66 | Low | 62.1 | Low | 82 Ų | 82 | 112.1 Ų | 112.1 | 53% | 0.532 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -53.8 | 129 | 176.4 | 19.2 | -29.7 | 0 | 0 | 0 | 108.9 | W42 | P40-W42 HydrophobicContact CG-CZ2 4.05Å; P40-W42 PolarHBondContact O-N 2.79Å |
| 41 | D | 64.8 | Low | 59.6 | Low | 124 Ų | 124 | 109.8 Ų | 109.8 | 66% | 0.663 | 63% | 0.632 | S | S | * | * | | | trans | -68.6 | 82.4 | 171 | -66.6 | -41.1 | 0 | 0 | 0 | 106.4 | K38 T39 S43 | K38-D41 WeakPolarHBondContact CE-OD2 3.38Å; K38-D41 IonicContact NZ-OD2 2.75Å; K38-D41 PolarHBondContact NZ-OD2 2.89Å; T39-D41 PolarHBondContact O-N 2.95Å; D41-S43 PolarHBondContact O-N 3.36Å |
| 42 | W | 56.6 | Low | 57.8 | Low | 185 Ų | 185 | 116.8 Ų | 116.8 | 70% | 0.701 | 65% | 0.652 | S | S | * | * | | | trans | -63.1 | 99.2 | 164.3 | -59 | 105.3 | 0 | 0 | 0 | 104.9 | P40 H44 | P40-W42 HydrophobicContact CG-CZ2 4.05Å; P40-W42 PolarHBondContact O-N 2.79Å; W42-H44 PolarHBondContact O-N 2.9Å |
| 43 | S | 52.2 | Low | 55.7 | Low | 109 Ų | 109 | 122 Ų | 122 | 76% | 0.762 | 67% | 0.671 | S | S | * | * | | | trans | -46.7 | 120.8 | 166.4 | 55.4 | 0 | 0 | 0 | 0 | 105.8 | D41 G45 | D41-S43 PolarHBondContact O-N 3.36Å; S43-G45 PolarHBondContact O-N 3.01Å |
| 44 | H | 48.3 | Very low | 53.4 | Low | 192 Ų | 192 | 124.1 Ų | 124.1 | 89% | 0.889 | 68% | 0.683 | S | S | * | * | | | trans | -65.2 | 64.2 | 173.9 | -66.7 | -71.4 | 0 | 0 | 0 | 108.8 | W42 S46 | W42-H44 PolarHBondContact O-N 2.9Å; H44-S46 PolarHBondContact O-N 3.26Å; H44-S46 VanDerWaalsContact O-N 3.16Å |
| 45 | G | 39 | Very low | 51.7 | Low | 57 Ų | 57 | 125.6 Ų | 125.6 | 59% | 0.588 | 69% | 0.69 | S | S | * | * | | | trans | -61.9 | 115.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 105.5 | S43 | S43-G45 PolarHBondContact O-N 3.01Š|
| 46 | S | 41 | Very low | 49.9 | Very low | 98 Ų | 98 | 127 Ų | 127 | 69% | 0.685 | 69% | 0.69 | S | S | * | * | | | trans | -42.5 | 128.5 | 177.1 | -59.2 | 0 | 0 | 0 | 0 | 109.9 | H44 A48 | H44-S46 PolarHBondContact O-N 3.26Å; H44-S46 VanDerWaalsContact O-N 3.16Å; S46-A48 PolarHBondContact O-N 3.44Å |
| 47 | P | 47.6 | Very low | 48.3 | Very low | 138 Ų | 138 | 125.7 Ų | 125.7 | 90% | 0.896 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | 18.2 | -171.2 | 26 | -34.1 | 0 | 0 | 0 | 115 | | |
| 48 | A | 41 | Very low | 46.7 | Very low | 55 Ų | 55 | 125 Ų | 125 | 46% | 0.455 | 69% | 0.689 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99 | -9.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S46 L83 | S46-A48 PolarHBondContact O-N 3.44Å; A48-L83 HydrophobicContact CB-CD1 4.49Å |
| 49 | F | 34.7 | Very low | 45.1 | Very low | 191 Ų | 191 | 121.9 Ų | 121.9 | 84% | 0.838 | 68% | 0.683 | S | S | * | * | | | trans | -135.4 | 102.9 | 171.4 | -80.2 | -91.6 | 0 | 0 | 0 | 109 | G51 | F49-G51 PolarHBondContact O-N 2.93Š|
| 50 | I | 43.1 | Very low | 43.8 | Very low | 156 Ų | 156 | 122.1 Ų | 122.1 | 80% | 0.8 | 68% | 0.684 | S | S | * | * | | | trans | -68.1 | 70 | 151.9 | -57.2 | 163 | 0 | 0 | 0 | 105.1 | K52 | I50-K52 PolarHBondContact O-N 3.31Š|
| 51 | G | 34.5 | Very low | 42.8 | Very low | 27 Ų | 27 | 123.5 Ų | 123.5 | 28% | 0.278 | 69% | 0.691 | S | S | . | * | | | trans | -53 | 133.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 105 | F49 H53 | F49-G51 PolarHBondContact O-N 2.93Å; G51-H53 VanDerWaalsContact C-CD2 3.46Å; G51-H53 PolarHBondContact O-CD2 3Å; G51-H53 PolarHBondContact O-N 3.19Å |
| 52 | K | 42.9 | Very low | 41.9 | Very low | 204 Ų | 204 | 122.7 Ų | 122.7 | 89% | 0.887 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -60 | 70.9 | 177.6 | -63.1 | 170.9 | 177.4 | 179.4 | 0 | 109.3 | I50 | I50-K52 PolarHBondContact O-N 3.31Š|
| 53 | H | 39.5 | Very low | 41 | Very low | 152 Ų | 152 | 121.5 Ų | 121.5 | 70% | 0.704 | 70% | 0.698 | S | S | * | * | | | trans | -118.7 | 84.5 | -178.9 | -61.9 | -61.1 | 0 | 0 | 0 | 105.2 | G51 I55 | G51-H53 VanDerWaalsContact C-CD2 3.46Å; G51-H53 PolarHBondContact O-CD2 3Å; G51-H53 PolarHBondContact O-N 3.19Å; H53-I55 VanDerWaalsContact C-N 3.3Å; H53-I55 PolarHBondContact O-N 2.99Å |
| 54 | N | 34 | Very low | 40.6 | Very low | 152 Ų | 152 | 119.3 Ų | 119.3 | 81% | 0.813 | 68% | 0.683 | S | S | * | * | | | trans | 27.7 | 64.5 | 148.4 | -61.3 | -22.5 | 0 | 0 | 0 | 113.8 | V56 | N54-V56 PolarHBondContact O-N 3.2Š|
| 55 | I | 40.3 | Very low | 40.6 | Very low | 144 Ų | 144 | 113.9 Ų | 113.9 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | | | trans | -69.3 | 83.5 | 159.3 | -58.9 | 163.6 | 0 | 0 | 0 | 103.5 | H53 P57 | H53-I55 VanDerWaalsContact C-N 3.3Å; H53-I55 PolarHBondContact O-N 2.99Å; I55-P57 WeakPolarHBondContact O-CD 3.36Å; I55-P57 VanDerWaalsContact O-N 3.15Å |
| 56 | V | 35.9 | Very low | 41 | Very low | 116 Ų | 116 | 118.4 Ų | 118.4 | 70% | 0.703 | 69% | 0.689 | S | S | * | * | | | trans | -65.5 | 112 | 165.2 | -178.1 | 0 | 0 | 0 | 0 | 103.7 | N54 C58 | N54-V56 PolarHBondContact O-N 3.2Å; V56-C58 PolarHBondContact O-N 3.11Å |
| 57 | P | 40.6 | Very low | 41.3 | Very low | 76 Ų | 76 | 116.4 Ų | 116.4 | 49% | 0.494 | 68% | 0.676 | S | S | . | * | | | trans | -57.4 | 127.9 | -178 | 23.2 | -31.9 | 0 | 0 | 0 | 108.1 | I55 T59 | I55-P57 WeakPolarHBondContact O-CD 3.36Å; I55-P57 VanDerWaalsContact O-N 3.15Å; P57-T59 PolarHBondContact O-N 3.48Å |
| 58 | C | 37.8 | Very low | 41.1 | Very low | 100 Ų | 100 | 116.2 Ų | 116.2 | 68% | 0.676 | 67% | 0.672 | S | S | * | * | | | trans | -64.8 | 90 | 171.1 | -64.7 | 0 | 0 | 0 | 0 | 108.2 | V56 V60 | V56-C58 PolarHBondContact O-N 3.11Å; C58-V60 PolarHBondContact O-N 3.1Å |
| 59 | T | 39.8 | Very low | 41.1 | Very low | 93 Ų | 93 | 120 Ų | 120 | 57% | 0.571 | 68% | 0.684 | S | S | * | * | | | trans | -74 | 107.8 | 165.4 | 39 | 0 | 0 | 0 | 0 | 107.4 | P57 T61 | P57-T59 PolarHBondContact O-N 3.48Å; T59-T61 VanDerWaalsContact C-N 3.26Å; T59-T61 PolarHBondContact O-N 3.12Å |
| 60 | V | 39.8 | Very low | 41.3 | Very low | 113 Ų | 113 | 119.6 Ų | 119.6 | 69% | 0.685 | 68% | 0.682 | S | S | * | * | | | trans | -73.4 | 88.1 | 167.1 | -175.6 | 0 | 0 | 0 | 0 | 107 | C58 T62 M71 | C58-V60 PolarHBondContact O-N 3.1Å; V60-T62 PolarHBondContact O-N 3.31Å; V60-M71 WeakPolarHBondContact O-CE 3.23Å |
| 61 | T | 46 | Very low | 41.1 | Very low | 112 Ų | 112 | 117.2 Ų | 117.2 | 69% | 0.687 | 67% | 0.668 | S | S | * | * | | | trans | -77.2 | 103.8 | 172 | 50.6 | 0 | 0 | 0 | 0 | 108.5 | T59 N63 | T59-T61 VanDerWaalsContact C-N 3.26Å; T59-T61 PolarHBondContact O-N 3.12Å; T61-N63 PolarHBondContact O-N 3.16Å |
| 62 | T | 45.8 | Very low | 41.3 | Very low | 107 Ų | 107 | 124.9 Ų | 124.9 | 66% | 0.656 | 69% | 0.69 | S | S | * | * | | | trans | -71.6 | 124.5 | 164.2 | 57.1 | 0 | 0 | 0 | 0 | 107.2 | V60 S64 | V60-T62 PolarHBondContact O-N 3.31Å; T62-S64 PolarHBondContact O-N 3.18Å |
| 63 | N | 37.6 | Very low | 41.4 | Very low | 160 Ų | 160 | 120.1 Ų | 120.1 | 86% | 0.856 | 68% | 0.68 | S | S | * | * | | | trans | -67.9 | 80.7 | 174.1 | -173.4 | -3.9 | 0 | 0 | 0 | 108.9 | T61 | T61-N63 PolarHBondContact O-N 3.16Š|
| 64 | S | 44.1 | Very low | 41.5 | Very low | 63 Ų | 63 | 122.6 Ų | 122.6 | 44% | 0.441 | 69% | 0.685 | S | S | . | * | | | trans | -101.6 | 98.6 | 161.9 | 57.1 | 0 | 0 | 0 | 0 | 106 | T62 N66 S67 | T62-S64 PolarHBondContact O-N 3.18Å; S64-N66 PolarHBondContact O-N 3.27Å; S64-S67 PolarHBondContact O-N 3.42Å; S64-S67 VanDerWaalsContact OG-CB 3.23Å; S64-S67 WeakPolarHBondContact OG-CB 3.42Å |
| 65 | G | 48.1 | Very low | 41.8 | Very low | 78 Ų | 78 | 120 Ų | 120 | 80% | 0.804 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | 26.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 66 | N | 47.9 | Very low | 41.8 | Very low | 151 Ų | 151 | 119.5 Ų | 119.5 | 81% | 0.807 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -159.6 | 21 | 169 | -157 | 6.6 | 0 | 0 | 0 | 114.2 | S64 T68 | S64-N66 PolarHBondContact O-N 3.27Å; N66-T68 PolarHBondContact O-N 3.06Å |
| 67 | S | 46 | Very low | 41.8 | Very low | 57 Ų | 57 | 123.5 Ų | 123.5 | 40% | 0.399 | 69% | 0.686 | S | S | . | * | | | trans | -86 | 103.1 | -178.5 | 157.6 | 0 | 0 | 0 | 0 | 110.9 | S64 L69 | S64-S67 PolarHBondContact O-N 3.42Å; S64-S67 VanDerWaalsContact OG-CB 3.23Å; S64-S67 WeakPolarHBondContact OG-CB 3.42Å; S67-L69 PolarHBondContact O-N 3.31Å; S67-L69 VanDerWaalsContact O-N 3.15Å; S67-L69 VanDerWaalsContact OG-CB 3.31Å; S67-L69 WeakPolarHBondContact OG-CB 3.31Å; S67-L69 WeakPolarHBondContact OG-CG 3.33Å; S67-L69 PolarHBondContact OG-N 2.98Å |
| 68 | T | 44.8 | Very low | 41.5 | Very low | 134 Ų | 134 | 125.2 Ų | 125.2 | 82% | 0.822 | 70% | 0.7 | S | S | * | * | | | trans | -71.9 | 11.8 | 165.9 | 47.8 | 0 | 0 | 0 | 0 | 113.3 | N66 K70 | N66-T68 PolarHBondContact O-N 3.06Å; T68-K70 PolarHBondContact O-N 2.99Å |
| 69 | L | 39.2 | Very low | 41.2 | Very low | 135 Ų | 135 | 125.6 Ų | 125.6 | 71% | 0.707 | 70% | 0.702 | S | S | * | * | | | trans | -69.7 | 107 | 179.2 | -57.8 | 174.7 | 0 | 0 | 0 | 109.5 | S67 M71 | S67-L69 PolarHBondContact O-N 3.31Å; S67-L69 VanDerWaalsContact O-N 3.15Å; S67-L69 VanDerWaalsContact OG-CB 3.31Å; S67-L69 WeakPolarHBondContact OG-CB 3.31Å; S67-L69 WeakPolarHBondContact OG-CG 3.33Å; S67-L69 PolarHBondContact OG-N 2.98Å; L69-M71 PolarHBondContact O-N 3.49Å |
| 70 | K | 39.3 | Very low | 41.1 | Very low | 181 Ų | 181 | 125.6 Ų | 125.6 | 79% | 0.787 | 71% | 0.712 | S | S | * | * | | | trans | -58.2 | 105.8 | 167.4 | -75.5 | 179.7 | 174.6 | 177.6 | 0 | 108.3 | T68 Y72 | T68-K70 PolarHBondContact O-N 2.99Å; K70-Y72 PolarHBondContact O-N 3.24Å |
| 71 | M | 40.1 | Very low | 40.8 | Very low | 106 Ų | 106 | 125 Ų | 125 | 52% | 0.522 | 71% | 0.711 | S | S | . | * | P | Polyproline II helix | trans | -72.7 | 116.6 | 176 | -70.7 | -102.9 | -76 | 0 | 0 | 109.1 | V60 L69 | V60-M71 WeakPolarHBondContact O-CE 3.23Å; L69-M71 PolarHBondContact O-N 3.49Å |
| 72 | Y | 37.5 | Very low | 40.3 | Very low | 188 Ų | 188 | 128.2 Ų | 128.2 | 74% | 0.737 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 139.6 | 170.6 | -66 | -84.2 | 0 | 0 | 0 | 109.5 | K70 Y74 | K70-Y72 PolarHBondContact O-N 3.24Å; Y72-Y74 PolarHBondContact O-N 3.42Å |
| 73 | P | 45.9 | Very low | 40.1 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 120.8 | -179.6 | 25.5 | -32.4 | 0 | 0 | 0 | 109.8 | S75 | P73-S75 PolarHBondContact O-N 3.33Š|
| 74 | Y | 40.6 | Very low | 39.9 | Very low | 203 Ų | 203 | 125.9 Ų | 125.9 | 80% | 0.796 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 123.4 | 168.6 | -68.4 | -82.1 | 0 | 0 | 0 | 108.5 | Y72 V76 | Y72-Y74 PolarHBondContact O-N 3.42Å; Y74-V76 PolarHBondContact O-N 2.91Å |
| 75 | S | 41.6 | Very low | 39.7 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 116.1 | 172.7 | 43.3 | 0 | 0 | 0 | 0 | 109.1 | P73 Y77 | P73-S75 PolarHBondContact O-N 3.33Å; S75-Y77 PolarHBondContact O-N 3.39Å |
| 76 | V | 38.8 | Very low | 39.4 | Very low | 135 Ų | 135 | 129.8 Ų | 129.8 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | | | trans | -74.9 | 111.6 | 175.9 | -174.2 | 0 | 0 | 0 | 0 | 107.6 | Y74 S78 | Y74-V76 PolarHBondContact O-N 2.91Å; V76-S78 PolarHBondContact O-N 3.39Å; V76-S78 VanDerWaalsContact O-N 3.09Å |
| 77 | Y | 37.3 | Very low | 39 | Very low | 200 Ų | 200 | 131.9 Ų | 131.9 | 78% | 0.784 | 70% | 0.702 | S | S | * | * | | | trans | -64.6 | 107.2 | 174.2 | -79.9 | -93.3 | 0 | 0 | 0 | 109.6 | S75 | S75-Y77 PolarHBondContact O-N 3.39Š|
| 78 | S | 34.4 | Very low | 38.6 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 78% | 0.783 | 70% | 0.696 | S | S | * | * | | | trans | -81.8 | 115.8 | 167.9 | 48.2 | 0 | 0 | 0 | 0 | 109.1 | V76 A80 | V76-S78 PolarHBondContact O-N 3.39Å; V76-S78 VanDerWaalsContact O-N 3.09Å; S78-A80 PolarHBondContact O-N 3.1Å |
| 79 | C | 31.5 | Very low | 38.4 | Very low | 108 Ų | 108 | 131 Ų | 131 | 73% | 0.73 | 69% | 0.686 | S | S | * | * | | | trans | -76.6 | 105.7 | 169 | 70.7 | 0 | 0 | 0 | 0 | 108.9 | C81 | C79-C81 VanDerWaalsContact C-N 3.29Å; C79-C81 PolarHBondContact O-N 3.41Å |
| 80 | A | 37.2 | Very low | 38.2 | Very low | 93 Ų | 93 | 133.1 Ų | 133.1 | 77% | 0.769 | 69% | 0.689 | S | S | * | * | | | trans | -77.7 | 81.1 | 169 | 0 | 0 | 0 | 0 | 0 | 109.1 | S78 Q82 | S78-A80 PolarHBondContact O-N 3.1Å; A80-Q82 PolarHBondContact O-N 3.06Å |
| 81 | C | 32.2 | Very low | 38.1 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 68% | 0.676 | 68% | 0.682 | S | S | * | * | | | trans | -72.7 | 91 | 157.7 | -68.4 | 0 | 0 | 0 | 0 | 106.5 | C79 L83 | C79-C81 VanDerWaalsContact C-N 3.29Å; C79-C81 PolarHBondContact O-N 3.41Å; C81-L83 PolarHBondContact O-N 2.96Å |
| 82 | Q | 35.8 | Very low | 37.9 | Very low | 180 Ų | 180 | 134.3 Ų | 134.3 | 84% | 0.841 | 68% | 0.684 | S | S | * | * | | | trans | -61.8 | 105.9 | -174.4 | -156.6 | 169.8 | 28.2 | 0 | 0 | 109.9 | A80 D84 | A80-Q82 PolarHBondContact O-N 3.06Å; Q82-D84 PolarHBondContact O-N 2.94Å |
| 83 | L | 41.7 | Very low | 37.9 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 35.7 | -0.3 | 150.9 | -88.5 | 149.6 | 0 | 0 | 0 | 123 | A48 C81 | A48-L83 HydrophobicContact CB-CD1 4.49Å; C81-L83 PolarHBondContact O-N 2.96Å |
| 84 | D | 34.3 | Very low | 37.6 | Very low | 76 Ų | 76 | 131 Ų | 131 | 41% | 0.406 | 68% | 0.681 | S | S | . | * | | | trans | -106.6 | 77.2 | 176.2 | -152.9 | -11 | 0 | 0 | 0 | 109.7 | Q82 S86 R87 C88 | Q82-D84 PolarHBondContact O-N 2.94Å; D84-S86 PolarHBondContact O-N 3.5Å; D84-S86 PolarHBondContact OD1-OG 3.25Å; D84-R87 HydrophobicContact CB-CB 4.48Å; D84-R87 PolarHBondContact O-N 2.99Å; D84-R87 VanDerWaalsContact O-N 3.13Å; D84-C88 PolarHBondContact O-N 2.75Å |
| 85 | L | 40.3 | Very low | 37.4 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 71% | 0.707 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -51.7 | -27.6 | 175.3 | -89.2 | 87.7 | 0 | 0 | 0 | 111.7 | C88 | L85-C88 PolarHBondContact O-N 3Å |
| 86 | S | 40.6 | Very low | 37.2 | Very low | 89 Ų | 89 | 131.8 Ų | 131.8 | 62% | 0.622 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -68.7 | -42 | -179.4 | 80.4 | 0 | 0 | 0 | 0 | 112.7 | D84 | D84-S86 PolarHBondContact O-N 3.5Å; D84-S86 PolarHBondContact OD1-OG 3.25Å |
| 87 | R | 39.4 | Very low | 36.9 | Very low | 194 Ų | 194 | 135 Ų | 135 | 73% | 0.732 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -75.5 | -25.1 | 176.3 | -75.8 | -176 | 172.4 | -158.7 | -0.5 | 112.8 | D84 H89 | D84-R87 HydrophobicContact CB-CB 4.48Å; D84-R87 PolarHBondContact O-N 2.99Å; D84-R87 VanDerWaalsContact O-N 3.13Å; R87-H89 VanDerWaalsContact C-N 3.32Å; R87-H89 PolarHBondContact O-N 2.86Å |
| 88 | C | 38.8 | Very low | 36.6 | Very low | 41 Ų | 41 | 131.6 Ų | 131.6 | 28% | 0.277 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -72 | -23.2 | -179.5 | -152 | 0 | 0 | 0 | 0 | 113.3 | D84 L85 K90 Y91 R92 | D84-C88 PolarHBondContact O-N 2.75Å; L85-C88 PolarHBondContact O-N 3Å; C88-K90 VanDerWaalsContact C-N 3.32Å; C88-K90 PolarHBondContact O-N 3.06Å; C88-Y91 PolarHBondContact O-N 2.85Å; C88-R92 PolarHBondContact O-N 3.11Å |
| 89 | H | 39.1 | Very low | 36.4 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 61% | 0.606 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -63.3 | -35.9 | 178 | -105.5 | -80.8 | 0 | 0 | 0 | 113.4 | R87 Y91 R92 S93 | R87-H89 VanDerWaalsContact C-N 3.32Å; R87-H89 PolarHBondContact O-N 2.86Å; H89-Y91 VanDerWaalsContact C-N 3.27Å; H89-Y91 PolarHBondContact O-N 3.34Å; H89-R92 PolarHBondContact O-N 2.94Å; H89-S93 PolarHBondContact O-N 3.48Å |
| 90 | K | 36.6 | Very low | 36.5 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 78% | 0.783 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -67.5 | -29.9 | 177.1 | -122.8 | -178.6 | -177 | -177.9 | 0 | 112.3 | C88 | C88-K90 VanDerWaalsContact C-N 3.32Å; C88-K90 PolarHBondContact O-N 3.06Å |
| 91 | Y | 36.9 | Very low | 36.3 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 64% | 0.639 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -85.3 | -29.2 | 176.2 | -77.5 | -84.2 | 0 | 0 | 0 | 113.4 | C88 H89 | C88-Y91 PolarHBondContact O-N 2.85Å; H89-Y91 VanDerWaalsContact C-N 3.27Å; H89-Y91 PolarHBondContact O-N 3.34Å |
| 92 | R | 34.7 | Very low | 36.2 | Very low | 150 Ų | 150 | 138 Ų | 138 | 57% | 0.566 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -70.5 | -33.4 | 176 | -92.2 | -176.3 | 168.1 | 165.5 | -2.1 | 113.8 | C88 H89 N94 | C88-R92 PolarHBondContact O-N 3.11Å; H89-R92 PolarHBondContact O-N 2.94Å; R92-N94 PolarHBondContact O-N 2.91Å |
| 93 | S | 39.2 | Very low | 35.8 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 65% | 0.65 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -29.6 | -174.9 | 178.7 | 0 | 0 | 0 | 0 | 114.3 | H89 | H89-S93 PolarHBondContact O-N 3.48Š|
| 94 | N | 38.7 | Very low | 35.8 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 69% | 0.69 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | -3.8 | -174.8 | -73.8 | -63.2 | 0 | 0 | 0 | 114.3 | R92 | R92-N94 PolarHBondContact O-N 2.91Š|
| 95 | Y | 35.3 | Very low | 35.9 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 57% | 0.565 | 65% | 0.653 | S | S | * | * | | | trans | -123.6 | 71.6 | 178.4 | -64.7 | -85.4 | 0 | 0 | 0 | 110.6 | R97 | Y95-R97 CarbonylContact O-C 3.56Å; Y95-R97 PolarHBondContact O-N 3.44Å |
| 96 | L | 37.9 | Very low | 35.7 | Very low | 174 Ų | 174 | 128.5 Ų | 128.5 | 91% | 0.911 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -59.3 | 4.4 | 163 | -140.1 | 101.5 | 0 | 0 | 0 | 113.3 | | |
| 97 | R | 33.6 | Very low | 35.3 | Very low | 201 Ų | 201 | 127.9 Ų | 127.9 | 76% | 0.758 | 65% | 0.648 | S | S | * | * | | | trans | -131.9 | 85.1 | 169.8 | -68.4 | -179 | 172.1 | 142.3 | -1.7 | 107.2 | Y95 R99 | Y95-R97 CarbonylContact O-C 3.56Å; Y95-R97 PolarHBondContact O-N 3.44Å; R97-R99 PolarHBondContact O-N 2.92Å |
| 98 | H | 31 | Very low | 35.3 | Very low | 130 Ų | 130 | 126.8 Ų | 126.8 | 60% | 0.602 | 65% | 0.653 | S | S | * | * | | | trans | -62.1 | 74.4 | 152.5 | -70.9 | -87.9 | 0 | 0 | 0 | 107.8 | C100 | H98-C100 VanDerWaalsContact C-N 3.3Å; H98-C100 PolarHBondContact O-N 3.35Å; H98-C100 VanDerWaalsContact O-N 3.14Å |
| 99 | R | 30.6 | Very low | 35.2 | Very low | 189 Ų | 189 | 131.6 Ų | 131.6 | 71% | 0.713 | 68% | 0.675 | S | S | * | * | | | trans | -75.1 | 92.8 | 162.1 | -104.4 | -175.8 | 174.6 | 160.7 | -2.4 | 104.7 | R97 L101 | R97-R99 PolarHBondContact O-N 2.92Å; R99-L101 PolarHBondContact O-N 2.81Å |
| 100 | C | 32.9 | Very low | 34.7 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 80% | 0.797 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -65.9 | 34.6 | 164.5 | -63 | 0 | 0 | 0 | 0 | 112.3 | H98 | H98-C100 VanDerWaalsContact C-N 3.3Å; H98-C100 PolarHBondContact O-N 3.35Å; H98-C100 VanDerWaalsContact O-N 3.14Å |
| 101 | L | 32.5 | Very low | 34.5 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 67% | 0.665 | 68% | 0.679 | S | S | * | * | | | trans | -143.7 | 57.7 | -177.9 | -72.1 | 168.1 | 0 | 0 | 0 | 107.8 | R99 | R99-L101 PolarHBondContact O-N 2.81Š|
| 102 | S | 29.8 | Very low | 34.2 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 79% | 0.79 | 69% | 0.688 | S | S | * | * | | | trans | -148.3 | 65.7 | 169.5 | -67.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 103 | G | 28 | Very low | 34 | Very low | 37 Ų | 37 | 124.8 Ų | 124.8 | 38% | 0.381 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -165.7 | 150 | 171.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | T105 | G103-T105 PolarHBondContact O-N 3.21Å; G103-T105 PolarHBondContact O-OG1 2.71Å |
| 104 | P | 42 | Very low | 33.5 | Very low | 120 Ų | 120 | 124.7 Ų | 124.7 | 78% | 0.779 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -71.8 | 24.7 | -160.8 | 30.2 | -35.7 | 0 | 0 | 0 | 115.3 | V106 A107 | P104-V106 PolarHBondContact O-N 3.33Å; P104-A107 WeakPolarHBondContact O-CB 3.01Å; P104-A107 PolarHBondContact O-N 3.13Å |
| 105 | T | 35.3 | Very low | 33 | Very low | 78 Ų | 78 | 126.6 Ų | 126.6 | 48% | 0.479 | 70% | 0.702 | S | S | . | * | G | 310 helix | trans | -67.1 | -9.2 | 171.8 | 44.8 | 0 | 0 | 0 | 0 | 113.6 | G103 A107 M108 | G103-T105 PolarHBondContact O-N 3.21Å; G103-T105 PolarHBondContact O-OG1 2.71Å; T105-A107 PolarHBondContact O-N 3.48Å; T105-M108 PolarHBondContact O-N 3.2Å |
| 106 | V | 37.1 | Very low | 32.5 | Very low | 97 Ų | 97 | 127.5 Ų | 127.5 | 59% | 0.588 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -66.2 | -20.9 | 167.7 | -169.1 | 0 | 0 | 0 | 0 | 111.6 | P104 L109 | P104-V106 PolarHBondContact O-N 3.33Å; V106-L109 PolarHBondContact O-N 3.15Å |
| 107 | A | 32.7 | Very low | 32 | Very low | 76 Ų | 76 | 123.8 Ų | 123.8 | 63% | 0.628 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -75.1 | -24.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P104 T105 | P104-A107 WeakPolarHBondContact O-CB 3.01Å; P104-A107 PolarHBondContact O-N 3.13Å; T105-A107 PolarHBondContact O-N 3.48Å |
| 108 | M | 39 | Very low | 31.7 | Very low | 172 Ų | 172 | 120.2 Ų | 120.2 | 85% | 0.847 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -85.7 | -9.5 | 176.8 | -70.2 | -68.3 | -72 | 0 | 0 | 113.1 | T105 | T105-M108 PolarHBondContact O-N 3.2Š|
| 109 | L | 37 | Very low | 31.5 | Very low | 141 Ų | 141 | 118.3 Ų | 118.3 | 74% | 0.738 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -92.8 | -7 | -179.8 | -70.5 | 172.8 | 0 | 0 | 0 | 113.3 | V106 P111 | V106-L109 PolarHBondContact O-N 3.15Å; L109-P111 WeakPolarHBondContact O-CD 3.36Å |
| 110 | L | 28.5 | Very low | 31.4 | Very low | 136 Ų | 136 | 116.9 Ų | 116.9 | 71% | 0.712 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -88.8 | 117.2 | 172.4 | -134.7 | 72.5 | 0 | 0 | 0 | 108.6 | T112 | L110-T112 PolarHBondContact O-N 3.21Š|
| 111 | P | 30.8 | Very low | 31.1 | Very low | 116 Ų | 116 | 116 Ų | 116 | 75% | 0.753 | 70% | 0.702 | S | S | * | * | | | trans | -58.9 | 111.1 | 172.6 | -14.5 | 27.1 | 0 | 0 | 0 | 107.4 | L109 A113 | L109-P111 WeakPolarHBondContact O-CD 3.36Å; P111-A113 PolarHBondContact O-N 3.36Å |
| 112 | T | 32.6 | Very low | 30.9 | Very low | 135 Ų | 135 | 122.1 Ų | 122.1 | 83% | 0.828 | 72% | 0.717 | S | S | * | * | | | trans | -67.1 | 91.7 | 168.9 | 47.3 | 0 | 0 | 0 | 0 | 107.2 | L110 S114 | L110-T112 PolarHBondContact O-N 3.21Å; T112-S114 PolarHBondContact O-N 2.83Å; T112-S114 VanDerWaalsContact O-N 3.13Å |
| 113 | A | 29.4 | Very low | 30.8 | Very low | 94 Ų | 94 | 122.8 Ų | 122.8 | 78% | 0.777 | 72% | 0.716 | S | S | * | * | | | trans | -68.2 | 98.3 | 166 | 0 | 0 | 0 | 0 | 0 | 107.9 | P111 | P111-A113 PolarHBondContact O-N 3.36Š|
| 114 | S | 28.1 | Very low | 30.9 | Very low | 92 Ų | 92 | 124.9 Ų | 124.9 | 64% | 0.643 | 73% | 0.73 | S | S | * | * | | | trans | 178.4 | 116.2 | 147.8 | 50.5 | 0 | 0 | 0 | 0 | 110.7 | T112 | T112-S114 PolarHBondContact O-N 2.83Å; T112-S114 VanDerWaalsContact O-N 3.13Å |
| 115 | H | 28.7 | Very low | 30.3 | Very low | 168 Ų | 168 | 126.4 Ų | 126.4 | 78% | 0.778 | 74% | 0.737 | S | S | * | * | | | trans | 56.7 | 105 | 133.1 | -77.4 | -89.1 | 0 | 0 | 0 | 118.9 | | |
| 116 | E | 24.6 | Very low | 30 | Very low | 164 Ų | 164 | 130 Ų | 130 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | | | | 39.6 | 103.8 | 107.3 | -159.8 | -176.6 | 155.1 | 0 | 0 | 116 | | |
| 117 | S | 27.9 | Very low | 29.5 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | | | | 160.1 | 124.7 | 120 | -74.6 | 0 | 0 | 0 | 0 | 112 | | |
| 118 | T | 26.3 | Very low | 29.2 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 77% | 0.767 | 76% | 0.759 | S | S | * | * | | | trans | 71.3 | 95.9 | 132.2 | -47.9 | 0 | 0 | 0 | 0 | 118 | | |
| 119 | S | 26.9 | Very low | 28.6 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | | | trans | 35.4 | 130.7 | 132.3 | 68 | 0 | 0 | 0 | 0 | 120.1 | | |
| 120 | L | 30.2 | Very low | 28 | Very low | 160 Ų | 160 | 131.4 Ų | 131.4 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | | | trans | 106 | 124.3 | 150.9 | -72.2 | 130 | 0 | 0 | 0 | 117.4 | | |
| 121 | S | 25.6 | Very low | 28 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | | | trans | 83.5 | 82.8 | 148.6 | -49.8 | 0 | 0 | 0 | 0 | 117.7 | T123 | S121-T123 PolarHBondContact O-N 3.38Å; S121-T123 VanDerWaalsContact O-N 3.12Å |
| 122 | R | 28.4 | Very low | 27.6 | Very low | 257 Ų | 257 | 135.4 Ų | 135.4 | 97% | 0.97 | 77% | 0.768 | S | S | * | * | | | trans | -50.9 | 103.6 | 148.9 | -89.4 | 171.9 | 147.6 | -177.4 | -6.4 | 110.1 | | |
| 123 | T | 28.9 | Very low | 27.3 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | -144.9 | 115.5 | 155 | -28.5 | 0 | 0 | 0 | 0 | 110.6 | S121 | S121-T123 PolarHBondContact O-N 3.38Å; S121-T123 VanDerWaalsContact O-N 3.12Å |
| 124 | A | 29.9 | Very low | 27 | Very low | 81 Ų | 81 | 133.8 Ų | 133.8 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | | | trans | 55 | 96.7 | 151.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 125 | V | 29.2 | Very low | 26.9 | Very low | 153 Ų | 153 | 138 Ų | 138 | 93% | 0.927 | 78% | 0.779 | S | S | * | * | | | trans | -122.5 | 104.4 | 133.6 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 126 | H | 28.6 | Very low | 26.8 | Very low | 152 Ų | 152 | 133.5 Ų | 133.5 | 70% | 0.704 | 78% | 0.779 | S | S | * | * | | | trans | -61.9 | 143.9 | 167.2 | -101.3 | -119.7 | 0 | 0 | 0 | 111.5 | | |
| 127 | S | 26.3 | Very low | 27.2 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 88% | 0.881 | 79% | 0.785 | S | S | * | * | | | trans | -166.1 | 70.9 | 133.1 | -83.8 | 0 | 0 | 0 | 0 | 110 | | |
| 128 | S | 25.9 | Very low | 27.3 | Very low | 82 Ų | 82 | 135.4 Ų | 135.4 | 57% | 0.573 | 79% | 0.79 | S | S | * | * | | | trans | -77.8 | 114.9 | 144.8 | 44.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 129 | V | 26.9 | Very low | 27.7 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | | | trans | -72.4 | 123.5 | 142.6 | 173.3 | 0 | 0 | 0 | 0 | 104.9 | E131 | V129-E131 PolarHBondContact O-N 2.89Š|
| 130 | F | 25.2 | Very low | 28 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | | | trans | -60.5 | 125.7 | 175.8 | -88.9 | -99.3 | 0 | 0 | 0 | 110.4 | N132 | F130-N132 HydrophobicContact CD1-CB 4.41Š|
| 131 | E | 28 | Very low | 28.3 | Very low | 195 Ų | 195 | 136.5 Ų | 136.5 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | | | trans | -123.6 | 89.8 | 145.6 | -89.4 | -178.3 | 132.1 | 0 | 0 | 107.4 | V129 C133 | V129-E131 PolarHBondContact O-N 2.89Å; E131-C133 PolarHBondContact O-N 3.47Å |
| 132 | N | 22.2 | Very low | 28.8 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | | | trans | -78.5 | 103.7 | 172.5 | -157.9 | 16.5 | 0 | 0 | 0 | 107.6 | F130 | F130-N132 HydrophobicContact CD1-CB 4.41Š|
| 133 | C | 25.8 | Very low | 29 | Very low | 133 Ų | 133 | 130.3 Ų | 130.3 | 90% | 0.899 | 77% | 0.769 | S | S | * | * | | | trans | -144.5 | 92.9 | 163.6 | -90.5 | 0 | 0 | 0 | 0 | 110 | E131 | E131-C133 PolarHBondContact O-N 3.47Š|
| 134 | G | 24.6 | Very low | 29.6 | Very low | 63 Ų | 63 | 131.5 Ų | 131.5 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | | | trans | 99.4 | 91 | 140.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 135 | L | 25.1 | Very low | 30 | Very low | 179 Ų | 179 | 131.6 Ų | 131.6 | 94% | 0.937 | 77% | 0.766 | S | S | * | * | | | trans | 59.4 | 89.1 | 135.2 | -76.1 | 136.6 | 0 | 0 | 0 | 119.5 | | |
| 136 | G | 26.2 | Very low | 30.3 | Very low | 75 Ų | 75 | 131.1 Ų | 131.1 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | | 64.8 | 87.4 | 122.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 137 | V | 32.3 | Very low | 30.6 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 89% | 0.891 | 75% | 0.75 | S | S | * | * | | | trans | -138 | 128.4 | 145.3 | -172.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 138 | I | 31.3 | Very low | 30.8 | Very low | 152 Ų | 152 | 130.7 Ų | 130.7 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | | | trans | -73.6 | 126.8 | -161.2 | -45.8 | 164.8 | 0 | 0 | 0 | 109.6 | Q140 | I138-Q140 PolarHBondContact O-N 2.94Å; I138-Q140 VanDerWaalsContact O-N 3.13Å |
| 139 | D | 34.9 | Very low | 31.6 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | | | trans | -59.7 | 103.7 | 171.8 | -160.5 | -27.2 | 0 | 0 | 0 | 109.8 | S141 | D139-S141 PolarHBondContact OD1-N 3.39Å; D139-S141 PolarHBondContact OD1-OG 3.49Å; D139-S141 VanDerWaalsContact OD1-OG 3.07Å |
| 140 | Q | 32.1 | Very low | 31.6 | Very low | 170 Ų | 170 | 131.1 Ų | 131.1 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | | | trans | -118.6 | 79.9 | 159.6 | -76.9 | -169.8 | 33.9 | 0 | 0 | 108 | I138 I142 | I138-Q140 PolarHBondContact O-N 2.94Å; I138-Q140 VanDerWaalsContact O-N 3.13Å; Q140-I142 PolarHBondContact O-N 3.17Å; Q140-I142 VanDerWaalsContact O-N 3.17Å |
| 141 | S | 37.7 | Very low | 32.1 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 66% | 0.664 | 74% | 0.744 | S | S | * | * | | | trans | -59.5 | 108.5 | 163.2 | 20.6 | 0 | 0 | 0 | 0 | 109.1 | D139 P143 | D139-S141 PolarHBondContact OD1-N 3.39Å; D139-S141 PolarHBondContact OD1-OG 3.49Å; D139-S141 VanDerWaalsContact OD1-OG 3.07Å; S141-P143 WeakPolarHBondContact O-CD 3.19Å |
| 142 | I | 34.9 | Very low | 32.2 | Very low | 142 Ų | 142 | 127.6 Ų | 127.6 | 73% | 0.728 | 74% | 0.737 | S | S | * | * | | | trans | -74.9 | 119.2 | 175.9 | -58.9 | 171.4 | 0 | 0 | 0 | 108.2 | Q140 | Q140-I142 PolarHBondContact O-N 3.17Å; Q140-I142 VanDerWaalsContact O-N 3.17Å |
| 143 | P | 33 | Very low | 33 | Very low | 82 Ų | 82 | 127.3 Ų | 127.3 | 53% | 0.532 | 74% | 0.743 | S | S | . | * | | | trans | -67.8 | 136.2 | 178 | 25.4 | -31.4 | 0 | 0 | 0 | 111.4 | S141 S145 | S141-P143 WeakPolarHBondContact O-CD 3.19Å; P143-S145 PolarHBondContact O-N 2.76Å |
| 144 | L | 41.1 | Very low | 33 | Very low | 151 Ų | 151 | 124.3 Ų | 124.3 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -62.3 | 1.7 | -174.1 | -82.7 | 156.3 | 0 | 0 | 0 | 115.7 | H146 L147 | L144-H146 PolarHBondContact O-N 2.88Å; L144-L147 HydrophobicContact CD2-CD1 3.8Å |
| 145 | S | 38.9 | Very low | 33.6 | Very low | 84 Ų | 84 | 127.3 Ų | 127.3 | 59% | 0.587 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -69.4 | -16.8 | 175.4 | 46.6 | 0 | 0 | 0 | 0 | 114 | P143 | P143-S145 PolarHBondContact O-N 2.76Š|
| 146 | H | 34.9 | Very low | 33.7 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -95.3 | 2.1 | -177.8 | -62.5 | -65.7 | 0 | 0 | 0 | 114.7 | L144 I148 | L144-H146 PolarHBondContact O-N 2.88Å; H146-I148 PolarHBondContact O-N 3.36Å |
| 147 | L | 35.8 | Very low | 34 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 65% | 0.649 | 75% | 0.746 | S | S | * | * | | | trans | -83.2 | 59.2 | 174.6 | -110.9 | 148.3 | 0 | 0 | 0 | 110.5 | L144 I149 | L144-L147 HydrophobicContact CD2-CD1 3.8Å; L147-I149 HydrophobicContact CD2-CG1 4.23Å; L147-I149 PolarHBondContact O-N 3.06Å |
| 148 | I | 29.7 | Very low | 33.7 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 74% | 0.744 | 74% | 0.74 | S | S | * | * | | | trans | -77.3 | 98.8 | 165.6 | -57.9 | 173.9 | 0 | 0 | 0 | 106 | H146 P150 | H146-I148 PolarHBondContact O-N 3.36Å; I148-P150 WeakPolarHBondContact O-CD 3.5Å |
| 149 | I | 42.2 | Very low | 33.8 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 61% | 0.61 | 74% | 0.737 | S | S | * | * | | | trans | -72 | 112.7 | 170.5 | -58.7 | 169.4 | 0 | 0 | 0 | 106.5 | L147 H151 | L147-I149 HydrophobicContact CD2-CG1 4.23Å; L147-I149 PolarHBondContact O-N 3.06Å; I149-H151 PolarHBondContact O-CD2 3.36Å; I149-H151 VanDerWaalsContact O-CD2 3.31Å; I149-H151 PolarHBondContact O-N 2.91Å; I149-H151 VanDerWaalsContact O-N 3.16Å |
| 150 | P | 28.2 | Very low | 33.5 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | trans | -68 | 115.5 | 175.2 | 26.7 | -31.2 | 0 | 0 | 0 | 109.2 | I148 S152 | I148-P150 WeakPolarHBondContact O-CD 3.5Å; P150-S152 PolarHBondContact O-N 2.81Å; P150-S152 VanDerWaalsContact O-N 3.1Å |
| 151 | H | 34.4 | Very low | 33.5 | Very low | 179 Ų | 179 | 130.2 Ų | 130.2 | 83% | 0.829 | 74% | 0.742 | S | S | * | * | | | trans | -69.8 | 100.8 | 172 | -71.2 | -120.6 | 0 | 0 | 0 | 108.6 | I149 | I149-H151 PolarHBondContact O-CD2 3.36Å; I149-H151 VanDerWaalsContact O-CD2 3.31Å; I149-H151 PolarHBondContact O-N 2.91Å; I149-H151 VanDerWaalsContact O-N 3.16Å |
| 152 | S | 30.4 | Very low | 32.9 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | | | trans | -73 | 126 | 164.4 | 68.1 | 0 | 0 | 0 | 0 | 109 | P150 | P150-S152 PolarHBondContact O-N 2.81Å; P150-S152 VanDerWaalsContact O-N 3.1Å |
| 153 | P | 38.8 | Very low | 32.7 | Very low | 134 Ų | 134 | 131.2 Ų | 131.2 | 87% | 0.87 | 74% | 0.743 | S | S | * | * | | | trans | -83.8 | 124.4 | -178.2 | 30.9 | -30.5 | 0 | 0 | 0 | 111.2 | | |
| 154 | G | 26.4 | Very low | 32.6 | Very low | 71 Ų | 71 | 134.8 Ų | 134.8 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | | | trans | -178 | 155.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 155 | P | 37.4 | Very low | 32 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | | | cis | -109.2 | 153.1 | -30.6 | 32.7 | -17.9 | 0 | 0 | 0 | 111.9 | M157 | P155-M157 PolarHBondContact O-N 2.59Š|
| 156 | K | 27 | Very low | 31.3 | Very low | 200 Ų | 200 | 139.2 Ų | 139.2 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | | | trans | -66 | 109.1 | 171.8 | -78.4 | 172.9 | 173.8 | 173 | 0 | 110 | T158 | K156-T158 PolarHBondContact O-N 3.09Š|
| 157 | M | 32.1 | Very low | 30.9 | Very low | 185 Ų | 185 | 138.3 Ų | 138.3 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | | | trans | -88.2 | 96 | 158.4 | -82 | -112.9 | 173.6 | 0 | 0 | 108.2 | P155 | P155-M157 PolarHBondContact O-N 2.59Š|
| 158 | T | 26.8 | Very low | 30.6 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 77% | 0.767 | 79% | 0.787 | S | S | * | * | | | trans | -86.9 | 109.9 | 166.4 | 49.3 | 0 | 0 | 0 | 0 | 108.8 | K156 | K156-T158 PolarHBondContact O-N 3.09Š|
| 159 | S | 34.3 | Very low | 30.5 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | trans | -158.8 | 113 | 147.5 | 59.5 | 0 | 0 | 0 | 0 | 109.7 | L161 | S159-L161 PolarHBondContact O-N 3.42Š|
| 160 | N | 28.3 | Very low | 29.9 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | | | trans | -55.7 | 119.2 | 167.7 | -62.6 | -57.9 | 0 | 0 | 0 | 109.6 | | |
| 161 | L | 31.1 | Very low | 30.1 | Very low | 149 Ų | 149 | 143.9 Ų | 143.9 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | | | trans | -137.2 | 62.1 | 160.7 | -133.1 | 89.9 | 0 | 0 | 0 | 109.1 | S159 | S159-L161 PolarHBondContact O-N 3.42Š|
| 162 | S | 26 | Very low | 29.7 | Very low | 89 Ų | 89 | 140 Ų | 140 | 62% | 0.622 | 80% | 0.802 | S | S | * | * | | | trans | -57.8 | 147 | 143.3 | 28.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 163 | H | 31 | Very low | 29.5 | Very low | 170 Ų | 170 | 145.8 Ų | 145.8 | 79% | 0.787 | 81% | 0.807 | S | S | * | * | | | trans | 92.6 | 58.4 | -179.3 | -51.5 | -84.7 | 0 | 0 | 0 | 117.7 | | |
| 164 | L | 30.5 | Very low | 29.3 | Very low | 157 Ų | 157 | 147.6 Ų | 147.6 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | | | trans | -143 | 61.2 | 136.9 | -77.1 | -175.8 | 0 | 0 | 0 | 110.4 | M166 | L164-M166 VanDerWaalsContact C-N 3.31Å; L164-M166 PolarHBondContact O-N 2.91Å |
| 165 | N | 27.3 | Very low | 29.4 | Very low | 165 Ų | 165 | 149 Ų | 149 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | | | trans | -79.3 | 86.5 | 151.2 | -90.1 | -25.6 | 0 | 0 | 0 | 107.3 | | |
| 166 | M | 25.4 | Very low | 28.8 | Very low | 163 Ų | 163 | 150.7 Ų | 150.7 | 80% | 0.803 | 81% | 0.809 | S | S | * | * | | | trans | -139.1 | 79.3 | 165.1 | -94.8 | -95.8 | 133.5 | 0 | 0 | 107.1 | L164 P168 | L164-M166 VanDerWaalsContact C-N 3.31Å; L164-M166 PolarHBondContact O-N 2.91Å; M166-P168 WeakPolarHBondContact O-CD 3.28Å |
| 167 | C | 25.8 | Very low | 29 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -66 | 119.2 | 156.4 | -76.7 | 0 | 0 | 0 | 0 | 107.1 | K169 | C167-K169 PolarHBondContact O-N 3.02Š|
| 168 | P | 30.6 | Very low | 28.7 | Very low | 123 Ų | 123 | 145.8 Ų | 145.8 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 126.7 | 177.6 | 23.8 | -30.1 | 0 | 0 | 0 | 109.6 | M166 | M166-P168 WeakPolarHBondContact O-CD 3.28Š|
| 169 | K | 26.9 | Very low | 28.8 | Very low | 199 Ų | 199 | 149.6 Ų | 149.6 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 144.7 | 174.7 | -129.7 | 160.9 | 178.7 | 171.5 | 0 | 109.7 | C167 L171 | C167-K169 PolarHBondContact O-N 3.02Å; K169-L171 PolarHBondContact O-N 3.31Å |
| 170 | P | 30.4 | Very low | 28.4 | Very low | 114 Ų | 114 | 150.9 Ų | 150.9 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 132.7 | -167.2 | 23.7 | -23.8 | 0 | 0 | 0 | 111.1 | S172 | P170-S172 PolarHBondContact O-N 3.4Š|
| 171 | L | 31.1 | Very low | 28.5 | Very low | 181 Ų | 181 | 148.8 Ų | 148.8 | 95% | 0.948 | 79% | 0.789 | S | S | * | * | | | trans | -60.2 | 100 | 167.7 | -86.7 | 159.7 | 0 | 0 | 0 | 108.6 | K169 | K169-L171 PolarHBondContact O-N 3.31Š|
| 172 | S | 27.3 | Very low | 28.3 | Very low | 97 Ų | 97 | 149.1 Ų | 149.1 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | | | trans | -59.4 | 136.1 | 168.8 | 49.9 | 0 | 0 | 0 | 0 | 111.3 | P170 | P170-S172 PolarHBondContact O-N 3.4Š|
| 173 | R | 25.8 | Very low | 28.2 | Very low | 233 Ų | 233 | 151 Ų | 151 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | | | trans | 62.5 | 89.9 | 148.5 | -65 | -177 | -175.7 | -175.6 | 1.5 | 116.9 | | |
| 174 | I | 34.7 | Very low | 28.1 | Very low | 171 Ų | 171 | 152.4 Ų | 152.4 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | | -116.6 | 118.3 | 129.9 | -61.3 | 175.5 | 0 | 0 | 0 | 106.1 | | |
| 175 | S | 27.9 | Very low | 27.8 | Very low | 100 Ų | 100 | 149.8 Ų | 149.8 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | | | trans | -61.1 | 120.2 | -173.9 | 46.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 176 | N | 25 | Very low | 27.8 | Very low | 162 Ų | 162 | 147.3 Ų | 147.3 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | | | trans | -95.6 | 112.5 | 151.1 | -94.7 | 2.1 | 0 | 0 | 0 | 107.9 | | |
| 177 | P | 29.9 | Very low | 27.9 | Very low | 107 Ų | 107 | 145.2 Ų | 145.2 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | | | trans | -75.1 | 123.3 | 162.6 | 31 | -27 | 0 | 0 | 0 | 108.2 | F179 | P177-F179 PolarHBondContact O-N 3.24Š|
| 178 | F | 26.3 | Very low | 27.9 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 77% | 0.768 | 79% | 0.785 | S | S | * | * | | | trans | 33.3 | 88.6 | 136.8 | -123.8 | -98.4 | 0 | 0 | 0 | 116.1 | E180 | F178-E180 HydrophobicContact CD1-CB 4.5Å; F178-E180 HydrophobicContact CE1-CB 4.39Å |
| 179 | F | 29.8 | Very low | 28 | Very low | 205 Ų | 205 | 151.4 Ų | 151.4 | 90% | 0.899 | 79% | 0.793 | S | S | * | * | | | trans | -120.4 | 90.9 | 150.3 | -107.1 | -89.9 | 0 | 0 | 0 | 107.3 | P177 P181 | P177-F179 PolarHBondContact O-N 3.24Å; F179-P181 WeakPolarHBondContact O-CD 3.38Å |
| 180 | E | 25.1 | Very low | 28 | Very low | 129 Ų | 129 | 149.4 Ų | 149.4 | 60% | 0.603 | 79% | 0.786 | S | S | * | * | | | trans | -64.8 | 113.6 | 163.5 | -164.1 | -179.9 | 155.9 | 0 | 0 | 107 | F178 H182 | F178-E180 HydrophobicContact CD1-CB 4.5Å; F178-E180 HydrophobicContact CE1-CB 4.39Å; E180-H182 PolarHBondContact O-N 3.45Å; E180-H182 VanDerWaalsContact O-N 3.1Å |
| 181 | P | 31.4 | Very low | 27.9 | Very low | 112 Ų | 112 | 148.9 Ų | 148.9 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -78.6 | 101.7 | 177.5 | 27.6 | -23.7 | 0 | 0 | 0 | 107.5 | F179 C183 | F179-P181 WeakPolarHBondContact O-CD 3.38Å; P181-C183 PolarHBondContact O-N 3.32Å |
| 182 | H | 26.3 | Very low | 27.9 | Very low | 157 Ų | 157 | 146 Ų | 146 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | -53.6 | 107.4 | 159.3 | -89.2 | -80.5 | 0 | 0 | 0 | 108.1 | E180 F184 | E180-H182 PolarHBondContact O-N 3.45Å; E180-H182 VanDerWaalsContact O-N 3.1Å; H182-F184 PolarHBondContact O-N 3.3Å |
| 183 | C | 23.5 | Very low | 28.1 | Very low | 129 Ų | 129 | 149.5 Ų | 149.5 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | | | trans | -56.6 | 100.6 | 169.5 | -72.6 | 0 | 0 | 0 | 0 | 109 | P181 S185 | P181-C183 PolarHBondContact O-N 3.32Å; C183-S185 PolarHBondContact O-N 2.93Å |
| 184 | F | 28.7 | Very low | 28.6 | Very low | 198 Ų | 198 | 143.4 Ų | 143.4 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | | | trans | -77.5 | 118.9 | 161.2 | -86.7 | -77.1 | 0 | 0 | 0 | 108.8 | H182 | H182-F184 PolarHBondContact O-N 3.3Š|
| 185 | S | 24.9 | Very low | 28.5 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | trans | -55.4 | 135.9 | 179.3 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | C183 T187 | C183-S185 PolarHBondContact O-N 2.93Å; S185-T187 PolarHBondContact O-N 3.43Å |
| 186 | S | 26.8 | Very low | 28.8 | Very low | 112 Ų | 112 | 144 Ų | 144 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | trans | -10.3 | 115.9 | 155 | -60.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 187 | T | 27.3 | Very low | 29.4 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | | | trans | -152.6 | 112.9 | 143.9 | 23.5 | 0 | 0 | 0 | 0 | 109.5 | S185 | S185-T187 PolarHBondContact O-N 3.43Š|
| 188 | E | 26.1 | Very low | 29.6 | Very low | 157 Ų | 157 | 146.7 Ų | 146.7 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | trans | 51.1 | 100.6 | 141.2 | -58.1 | -178.3 | 131.9 | 0 | 0 | 119.4 | | |
| 189 | F | 33.2 | Very low | 30.2 | Very low | 220 Ų | 220 | 144.8 Ų | 144.8 | 97% | 0.965 | 77% | 0.769 | S | S | * | * | | | trans | -137.6 | 104.9 | 135.2 | -97.4 | -80.6 | 0 | 0 | 0 | 110.6 | | |
| 190 | H | 26.9 | Very low | 30.5 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | -68.7 | 152.1 | 165.4 | -91.1 | -104.8 | 0 | 0 | 0 | 111.5 | | |
| 191 | S | 29 | Very low | 30.9 | Very low | 102 Ų | 102 | 137.5 Ų | 137.5 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | trans | 71.1 | 144.5 | 155.9 | -73.9 | 0 | 0 | 0 | 0 | 117 | | |
| 192 | T | 30.9 | Very low | 31.4 | Very low | 122 Ų | 122 | 141 Ų | 141 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | cis | -167.5 | 152.2 | -0.2 | 12.4 | 0 | 0 | 0 | 0 | 106.8 | | |
| 193 | H | 30.9 | Very low | 31.6 | Very low | 170 Ų | 170 | 140.2 Ų | 140.2 | 79% | 0.787 | 79% | 0.791 | S | S | * | * | | | trans | 57.7 | 84.5 | 159.3 | -95.4 | -99.2 | 0 | 0 | 0 | 118.6 | S195 | H193-S195 PolarHBondContact O-N 2.9Š|
| 194 | A | 35.6 | Very low | 32.1 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -65 | 97.6 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 195 | S | 33.2 | Very low | 32.2 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | | | trans | -63.9 | 135.6 | 174.9 | -67.1 | 0 | 0 | 0 | 0 | 110.4 | H193 S197 | H193-S195 PolarHBondContact O-N 2.9Å; S195-S197 PolarHBondContact O-N 3.49Å; S195-S197 VanDerWaalsContact O-N 3.11Å |
| 196 | H | 35 | Very low | 32.7 | Very low | 179 Ų | 179 | 139.6 Ų | 139.6 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | | | trans | -48.2 | 113.2 | 179 | -77.7 | -135.2 | 0 | 0 | 0 | 111.8 | R198 | H196-R198 PolarHBondContact O-N 3.26Š|
| 197 | S | 36.4 | Very low | 33 | Very low | 91 Ų | 91 | 141.4 Ų | 141.4 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | | | trans | -66.8 | 98.8 | 167.1 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | S195 F199 | S195-S197 PolarHBondContact O-N 3.49Å; S195-S197 VanDerWaalsContact O-N 3.11Å; S197-F199 PolarHBondContact O-N 3.4Å; S197-F199 WeakPolarHBondContact OG-CE2 3.34Å |
| 198 | R | 33.5 | Very low | 33.4 | Very low | 234 Ų | 234 | 142.9 Ų | 142.9 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | -74.3 | 99 | 167.5 | -62.8 | -172.2 | -163.8 | -175.1 | 5.2 | 107.5 | H196 A200 | H196-R198 PolarHBondContact O-N 3.26Å; R198-A200 VanDerWaalsContact C-N 3.26Å; R198-A200 PolarHBondContact O-N 3.1Å |
| 199 | F | 39.3 | Very low | 34 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 59% | 0.592 | 79% | 0.794 | S | S | * | * | | | trans | -72.4 | 89.4 | 162 | -74.9 | -84.7 | 0 | 0 | 0 | 107.8 | S197 | S197-F199 PolarHBondContact O-N 3.4Å; S197-F199 WeakPolarHBondContact OG-CE2 3.34Å |
| 200 | A | 36.1 | Very low | 34 | Very low | 81 Ų | 81 | 135.8 Ų | 135.8 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | | | trans | -75.5 | 120.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | R198 S202 | R198-A200 VanDerWaalsContact C-N 3.26Å; R198-A200 PolarHBondContact O-N 3.1Å; A200-S202 PolarHBondContact O-N 2.95Å; A200-S202 VanDerWaalsContact O-N 3.16Å |
| 201 | C | 33.2 | Very low | 34.6 | Very low | 99 Ų | 99 | 134.1 Ų | 134.1 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | | | trans | -65.7 | 112 | 165.7 | -61.3 | 0 | 0 | 0 | 0 | 106.4 | C32 | C32-C201 VanDerWaalsContact SG-SG 3.66Š|
| 202 | S | 42.2 | Very low | 35.1 | Very low | 186 Ų | 186 | 137 Ų | 137 | 100% | 1.301 | 79% | 0.792 | S | S | * | * | | | trans | -96 | 0 | 170 | -52.7 | 0 | 0 | 0 | 0 | 108.9 | A200 | A200-S202 PolarHBondContact O-N 2.95Å; A200-S202 VanDerWaalsContact O-N 3.16Å |