| 1 | M | 47 | Very low | 58.9 | Low | 243 Ų | 243 | 170.3 Ų | 170.3 | 100% | 1.197 | 87% | 0.866 | S | S | * | * | | | | 0 | 149.1 | 0 | -78.2 | -176.6 | 152.5 | 0 | 0 | 109 | | |
| 2 | S | 59 | Low | 58.2 | Low | 128 Ų | 128 | 167.4 Ų | 167.4 | 90% | 0.895 | 87% | 0.871 | S | S | * | * | | | trans | 86.5 | 117.3 | 165.9 | -68.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 3 | R | 62.3 | Low | 58.2 | Low | 241 Ų | 241 | 162.8 Ų | 162.8 | 91% | 0.909 | 86% | 0.862 | S | S | * | * | | | trans | -83.5 | 157.1 | -179.3 | -59.9 | 168.3 | 166.7 | -161.4 | -4.6 | 111.9 | | |
| 4 | R | 68 | Low | 58 | Low | 245 Ų | 245 | 167.2 Ų | 167.2 | 93% | 0.925 | 86% | 0.861 | S | S | * | * | | | trans | 178.1 | 109.9 | 144.4 | -96 | 166.9 | -157.7 | -179.8 | 5.3 | 105.5 | | |
| 5 | S | 61.4 | Low | 58 | Low | 108 Ų | 108 | 163.3 Ų | 163.3 | 76% | 0.755 | 85% | 0.854 | S | S | * | * | | | cis | 63.3 | 137.3 | 49.2 | -163.7 | 0 | 0 | 0 | 0 | 114.8 | | |
| 6 | V | 65.9 | Low | 57.7 | Low | 130 Ų | 130 | 163.8 Ų | 163.8 | 79% | 0.788 | 85% | 0.85 | S | S | * | * | | | trans | 115.8 | 86.9 | 169.8 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 7 | R | 63.3 | Low | 57.3 | Low | 232 Ų | 232 | 163.1 Ų | 163.1 | 88% | 0.875 | 84% | 0.842 | S | S | * | * | | | | 87.9 | 124.3 | 75.8 | -83.6 | -169.9 | 175.5 | 177.3 | -0.7 | 113.7 | | |
| 8 | E | 54.2 | Low | 57.1 | Low | 181 Ų | 181 | 160.8 Ų | 160.8 | 85% | 0.846 | 84% | 0.843 | S | S | * | * | | | trans | -51.7 | 149.8 | 172.2 | -70 | 149.9 | 99.6 | 0 | 0 | 113.8 | | |
| 9 | S | 61.5 | Low | 57.2 | Low | 126 Ų | 126 | 159.5 Ų | 159.5 | 88% | 0.881 | 84% | 0.836 | S | S | * | * | | | trans | -137.3 | 117.9 | 149.2 | -153.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 10 | T | 53.2 | Low | 57 | Low | 113 Ų | 113 | 160.8 Ų | 160.8 | 69% | 0.693 | 84% | 0.837 | S | S | * | * | | | trans | -81 | 173.7 | -177.8 | 27.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 11 | V | 52.1 | Low | 56.9 | Low | 126 Ų | 126 | 157.7 Ų | 157.7 | 76% | 0.764 | 84% | 0.835 | S | S | * | * | | | trans | 96.2 | 87.1 | 158.8 | -166 | 0 | 0 | 0 | 0 | 114.1 | | |
| 12 | C | 50.7 | Low | 57.4 | Low | 136 Ų | 136 | 151.4 Ų | 151.4 | 92% | 0.919 | 82% | 0.815 | S | S | * | * | | | trans | -78.8 | 124.1 | 159.5 | -135.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 13 | S | 58.3 | Low | 57.6 | Low | 108 Ų | 108 | 149 Ų | 149 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -63.3 | 134.5 | -175.3 | -58.4 | 0 | 0 | 0 | 0 | 112.8 | S15 | S13-S15 PolarHBondContact O-N 3.48Š|
| 14 | R | 54.5 | Low | 57.4 | Low | 224 Ų | 224 | 143.2 Ų | 143.2 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | | | trans | -62.9 | 110.7 | 172.6 | -175.9 | -177.2 | -161.6 | 175.3 | 3.7 | 111 | Q16 | R14-Q16 PolarHBondContact O-N 3.48Š|
| 15 | S | 58.1 | Low | 57.1 | Low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | -83.8 | 105.6 | 163.1 | -60.7 | 0 | 0 | 0 | 0 | 108.8 | S13 E17 | S13-S15 PolarHBondContact O-N 3.48Å; S15-E17 PolarHBondContact O-N 3.41Å |
| 16 | Q | 53.5 | Low | 56.8 | Low | 172 Ų | 172 | 135.9 Ų | 135.9 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -77.9 | 89.5 | 165.7 | -84.8 | -179.7 | -91.8 | 0 | 0 | 108.5 | R14 | R14-Q16 PolarHBondContact O-N 3.48Š|
| 17 | E | 51.7 | Low | 56.6 | Low | 152 Ų | 152 | 133.5 Ų | 133.5 | 71% | 0.71 | 78% | 0.78 | S | S | * | * | | | trans | -87.2 | 105.1 | 157.1 | 67.4 | -168.8 | 107.4 | 0 | 0 | 108 | S15 L19 | S15-E17 PolarHBondContact O-N 3.41Å; E17-L19 PolarHBondContact O-N 3.22Å |
| 18 | S | 53.8 | Low | 56.5 | Low | 122 Ų | 122 | 127 Ų | 127 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | | | trans | -75.3 | 74.1 | 172 | 176 | 0 | 0 | 0 | 0 | 108.4 | | |
| 19 | L | 58.7 | Low | 56.9 | Low | 136 Ų | 136 | 126.7 Ų | 126.7 | 71% | 0.712 | 78% | 0.775 | S | S | * | * | | | trans | -81.8 | 117 | 166.7 | -104.9 | 157.6 | 0 | 0 | 0 | 107.7 | E17 A21 | E17-L19 PolarHBondContact O-N 3.22Å; L19-A21 PolarHBondContact O-N 3.05Å |
| 20 | E | 53.2 | Low | 57.2 | Low | 184 Ų | 184 | 125.1 Ų | 125.1 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | | | trans | -46.5 | 101.8 | 168.8 | -74.9 | -176.7 | 87.6 | 0 | 0 | 109.4 | S22 | E20-S22 PolarHBondContact O-N 3.3Š|
| 21 | A | 55.3 | Low | 57.8 | Low | 97 Ų | 97 | 127.7 Ų | 127.7 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | | | trans | -68.2 | 88.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107 | L19 A23 | L19-A21 PolarHBondContact O-N 3.05Å; A21-A23 VanDerWaalsContact C-N 3.35Å; A21-A23 PolarHBondContact O-N 3.19Å |
| 22 | S | 56.7 | Low | 58.7 | Low | 110 Ų | 110 | 126.1 Ų | 126.1 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | trans | -51.8 | 108 | 157.6 | -73.6 | 0 | 0 | 0 | 0 | 105.9 | E20 | E20-S22 PolarHBondContact O-N 3.3Š|
| 23 | A | 62.8 | Low | 60.2 | Low | 78 Ų | 78 | 124.8 Ų | 124.8 | 65% | 0.645 | 75% | 0.746 | S | S | * | * | | | trans | -51.1 | 127.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | A21 T25 | A21-A23 VanDerWaalsContact C-N 3.35Å; A21-A23 PolarHBondContact O-N 3.19Å; A23-T25 VanDerWaalsContact C-N 3.26Å; A23-T25 PolarHBondContact O-N 3.31Å |
| 24 | P | 59.4 | Low | 61.4 | Low | 120 Ų | 120 | 130 Ų | 130 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | | | trans | -61.9 | 107.9 | 161.9 | 26.8 | -27.7 | 0 | 0 | 0 | 103.6 | G26 | P24-G26 PolarHBondContact O-N 3.37Š|
| 25 | T | 60 | Low | 63 | Low | 140 Ų | 140 | 121.6 Ų | 121.6 | 86% | 0.859 | 73% | 0.733 | S | S | * | * | | | trans | -62.2 | 76 | 152.6 | -55.2 | 0 | 0 | 0 | 0 | 104.5 | A23 A27 | A23-T25 VanDerWaalsContact C-N 3.26Å; A23-T25 PolarHBondContact O-N 3.31Å; T25-A27 PolarHBondContact O-N 3.29Å |
| 26 | G | 55.6 | Low | 64.5 | Low | 59 Ų | 59 | 118.4 Ų | 118.4 | 61% | 0.608 | 71% | 0.713 | S | S | * | * | | | trans | -65 | 93 | 165.9 | 0 | 0 | 0 | 0 | 0 | 103.6 | P24 A28 | P24-G26 PolarHBondContact O-N 3.37Å; G26-A28 PolarHBondContact O-N 2.96Å |
| 27 | A | 61.7 | Low | 66.4 | Low | 79 Ų | 79 | 114.1 Ų | 114.1 | 65% | 0.653 | 70% | 0.696 | S | S | * | * | | | trans | -46.4 | 107.6 | 147.3 | 0 | 0 | 0 | 0 | 0 | 103.7 | T25 E29 | T25-A27 PolarHBondContact O-N 3.29Å; A27-E29 PolarHBondContact O-N 3.47Å |
| 28 | A | 61.4 | Low | 68.3 | Low | 96 Ų | 96 | 110.6 Ų | 110.6 | 79% | 0.793 | 69% | 0.688 | S | S | * | * | | | trans | -61.7 | 92.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 104.5 | G26 S30 | G26-A28 PolarHBondContact O-N 2.96Å; A28-S30 PolarHBondContact O-N 3.34Å |
| 29 | E | 63.5 | Low | 70.3 | Confident | 174 Ų | 174 | 110.5 Ų | 110.5 | 81% | 0.813 | 68% | 0.677 | S | S | * | * | | | trans | -63.1 | 91.8 | 169.8 | -69.3 | -175 | 165.6 | 0 | 0 | 104.2 | A27 I31 | A27-E29 PolarHBondContact O-N 3.47Å; E29-I31 PolarHBondContact O-N 3.2Å |
| 30 | S | 67.9 | Low | 72.1 | Confident | 94 Ų | 94 | 108.2 Ų | 108.2 | 66% | 0.657 | 67% | 0.668 | S | S | * | * | | | trans | -64 | 109.5 | 170.8 | 65.8 | 0 | 0 | 0 | 0 | 105.1 | A28 T32 | A28-S30 PolarHBondContact O-N 3.34Å; S30-T32 PolarHBondContact O-N 3.47Å |
| 31 | I | 65.1 | Low | 74.1 | Confident | 167 Ų | 167 | 103.1 Ų | 103.1 | 86% | 0.856 | 65% | 0.653 | S | S | * | * | | | trans | -68.4 | 85.7 | 169.9 | -57.4 | 173 | 0 | 0 | 0 | 104.8 | E29 N33 | E29-I31 PolarHBondContact O-N 3.2Å; I31-N33 PolarHBondContact O-N 2.98Å |
| 32 | T | 70.4 | Confident | 76.1 | Confident | 92 Ų | 92 | 103.5 Ų | 103.5 | 56% | 0.564 | 64% | 0.638 | S | S | * | * | | | trans | -68.9 | 117.9 | 175.1 | 46.4 | 0 | 0 | 0 | 0 | 107.2 | S30 R34 | S30-T32 PolarHBondContact O-N 3.47Å; T32-R34 PolarHBondContact O-N 3.18Å |
| 33 | N | 81.7 | Confident | 78 | Confident | 108 Ų | 108 | 102.8 Ų | 102.8 | 58% | 0.578 | 63% | 0.625 | S | S | * | * | | | trans | -76.6 | 86.1 | 174 | -172.8 | -32.7 | 0 | 0 | 0 | 107.3 | I31 G35 A36 D37 | I31-N33 PolarHBondContact O-N 2.98Å; N33-G35 PolarHBondContact O-N 3.46Å; N33-G35 PolarHBondContact OD1-N 2.87Å; N33-A36 HydrophobicContact CB-CB 3.89Å; N33-A36 WeakPolarHBondContact O-CA 3.47Å; N33-A36 WeakPolarHBondContact O-CB 3.48Å; N33-A36 PolarHBondContact O-N 3.4Å; N33-A36 PolarHBondContact OD1-N 3.23Å; N33-A36 VanDerWaalsContact OD1-N 3.09Å; N33-D37 PolarHBondContact O-N 3.37Å |
| 34 | R | 85 | Confident | 79.6 | Confident | 217 Ų | 217 | 102.7 Ų | 102.7 | 82% | 0.819 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -48.8 | -32.3 | -179.1 | -169.1 | -177.6 | -170.4 | -148.2 | 2.4 | 112.8 | T32 S38 | T32-R34 PolarHBondContact O-N 3.18Å; R34-S38 VanDerWaalsContact O-CB 3.25Å; R34-S38 WeakPolarHBondContact O-CB 3.32Å; R34-S38 PolarHBondContact O-N 3.07Å |
| 35 | G | 87.4 | Confident | 81.4 | Confident | 48 Ų | 48 | 100.2 Ų | 100.2 | 50% | 0.495 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68 | -46.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N33 S38 L39 | N33-G35 PolarHBondContact O-N 3.46Å; N33-G35 PolarHBondContact OD1-N 2.87Å; G35-S38 PolarHBondContact O-N 3.08Å; G35-L39 WeakPolarHBondContact O-CB 2.95Å; G35-L39 PolarHBondContact O-N 3.35Å |
| 36 | A | 90.5 | Very high | 83.2 | Confident | 42 Ų | 42 | 98.7 Ų | 98.7 | 35% | 0.347 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.8 | -44.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N33 S38 L39 V40 | N33-A36 HydrophobicContact CB-CB 3.89Å; N33-A36 WeakPolarHBondContact O-CA 3.47Å; N33-A36 WeakPolarHBondContact O-CB 3.48Å; N33-A36 PolarHBondContact O-N 3.4Å; N33-A36 PolarHBondContact OD1-N 3.23Å; N33-A36 VanDerWaalsContact OD1-N 3.09Å; A36-S38 VanDerWaalsContact C-N 3.31Å; A36-S38 PolarHBondContact O-N 3.32Å; A36-L39 PolarHBondContact O-N 2.98Å; A36-V40 WeakPolarHBondContact O-CB 3.48Å; A36-V40 VanDerWaalsContact O-CG2 3.29Å; A36-V40 WeakPolarHBondContact O-CG2 3.36Å; A36-V40 PolarHBondContact O-N 3Å |
| 37 | D | 91.8 | Very high | 85.1 | Confident | 82 Ų | 82 | 100 Ų | 100 | 44% | 0.439 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.3 | -40 | 178.1 | -63.9 | -35.6 | 0 | 0 | 0 | 111.6 | N33 S41 | N33-D37 PolarHBondContact O-N 3.37Å; D37-S41 VanDerWaalsContact O-CB 3.26Å; D37-S41 WeakPolarHBondContact O-CB 2.84Å; D37-S41 PolarHBondContact O-N 3.48Å; D37-S41 PolarHBondContact O-OG 3.39Å |
| 38 | S | 93.1 | Very high | 86.8 | Confident | 78 Ų | 78 | 99.4 Ų | 99.4 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.1 | -40.8 | 175 | -173.2 | 0 | 0 | 0 | 0 | 112.2 | R34 G35 A36 H42 | R34-S38 VanDerWaalsContact O-CB 3.25Å; R34-S38 WeakPolarHBondContact O-CB 3.32Å; R34-S38 PolarHBondContact O-N 3.07Å; G35-S38 PolarHBondContact O-N 3.08Å; A36-S38 VanDerWaalsContact C-N 3.31Å; A36-S38 PolarHBondContact O-N 3.32Å; S38-H42 WeakPolarHBondContact O-CB 3.38Å; S38-H42 PolarHBondContact O-N 2.96Å |
| 39 | L | 95.7 | Very high | 88.4 | Confident | 119 Ų | 119 | 99.2 Ų | 99.2 | 62% | 0.623 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66 | -46.4 | 177.6 | 177.9 | 63.5 | 0 | 0 | 0 | 111.2 | G35 A36 H42 L43 | G35-L39 WeakPolarHBondContact O-CB 2.95Å; G35-L39 PolarHBondContact O-N 3.35Å; A36-L39 PolarHBondContact O-N 2.98Å; L39-H42 PolarHBondContact O-N 2.93Å; L39-L43 WeakPolarHBondContact O-CB 3.1Å; L39-L43 PolarHBondContact O-N 3.49Å |
| 40 | V | 95.4 | Very high | 90 | Very high | 88 Ų | 88 | 96.6 Ų | 96.6 | 53% | 0.533 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.9 | -48.7 | 176.3 | 171.1 | 0 | 0 | 0 | 0 | 109.8 | A36 H42 L43 T44 | A36-V40 WeakPolarHBondContact O-CB 3.48Å; A36-V40 VanDerWaalsContact O-CG2 3.29Å; A36-V40 WeakPolarHBondContact O-CG2 3.36Å; A36-V40 PolarHBondContact O-N 3Å; V40-H42 VanDerWaalsContact C-N 3.31Å; V40-H42 PolarHBondContact O-N 3.45Å; V40-L43 PolarHBondContact O-N 2.97Å; V40-T44 WeakPolarHBondContact O-CB 3.29Å; V40-T44 PolarHBondContact O-N 3.12Å; V40-T44 PolarHBondContact O-OG1 3.03Å |
| 41 | S | 95.4 | Very high | 91.3 | Very high | 77 Ų | 77 | 97.2 Ų | 97.2 | 54% | 0.538 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.7 | -41.8 | 177.6 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | D37 S45 | D37-S41 VanDerWaalsContact O-CB 3.26Å; D37-S41 WeakPolarHBondContact O-CB 2.84Å; D37-S41 PolarHBondContact O-N 3.48Å; D37-S41 PolarHBondContact O-OG 3.39Å; S41-S45 WeakPolarHBondContact O-CB 3.4Å; S41-S45 PolarHBondContact O-N 3.42Å |
| 42 | H | 97.3 | Very high | 92.7 | Very high | 106 Ų | 106 | 92.4 Ų | 92.4 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.9 | -47.4 | 177.2 | -177.8 | 67.2 | 0 | 0 | 0 | 112.1 | S38 L39 V40 S45 Q46 | S38-H42 WeakPolarHBondContact O-CB 3.38Å; S38-H42 PolarHBondContact O-N 2.96Å; L39-H42 PolarHBondContact O-N 2.93Å; V40-H42 VanDerWaalsContact C-N 3.31Å; V40-H42 PolarHBondContact O-N 3.45Å; H42-S45 WeakPolarHBondContact O-CB 3.35Å; H42-S45 PolarHBondContact O-N 2.9Å; H42-Q46 PolarHBondContact NE2-NE2 3.11Å; H42-Q46 PolarHBondContact O-N 2.91Å |
| 43 | L | 97.1 | Very high | 93.7 | Very high | 94 Ų | 94 | 90.2 Ų | 90.2 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 178.6 | -176.8 | 65 | 0 | 0 | 0 | 111.3 | L39 V40 S45 Q46 I47 | L39-L43 WeakPolarHBondContact O-CB 3.1Å; L39-L43 PolarHBondContact O-N 3.49Å; V40-L43 PolarHBondContact O-N 2.97Å; L43-S45 VanDerWaalsContact C-N 3.3Å; L43-S45 PolarHBondContact O-N 3.44Å; L43-Q46 PolarHBondContact O-N 3.05Å; L43-I47 HydrophobicContact CD1-CD1 4.34Å; L43-I47 HydrophobicContact CG-CD1 4.03Å; L43-I47 WeakPolarHBondContact O-CG1 3.31Å; L43-I47 PolarHBondContact O-N 3.21Å |
| 44 | T | 96.6 | Very high | 94.2 | Very high | 77 Ų | 77 | 90.6 Ų | 90.6 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.4 | -45.3 | 174.1 | -61.6 | 0 | 0 | 0 | 0 | 110.7 | V40 Q46 I47 S48 | V40-T44 WeakPolarHBondContact O-CB 3.29Å; V40-T44 PolarHBondContact O-N 3.12Å; V40-T44 PolarHBondContact O-OG1 3.03Å; T44-Q46 PolarHBondContact O-N 3.29Å; T44-I47 PolarHBondContact O-N 2.96Å; T44-S48 WeakPolarHBondContact O-CB 3.31Å; T44-S48 PolarHBondContact O-N 3.42Å; T44-S48 PolarHBondContact O-OG 2.99Å; T44-S48 VanDerWaalsContact O-OG 3.11Å |
| 45 | S | 96.8 | Very high | 94.5 | Very high | 68 Ų | 68 | 83.1 Ų | 83.1 | 48% | 0.476 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 176.3 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | S41 H42 L43 S48 T49 | S41-S45 WeakPolarHBondContact O-CB 3.4Å; S41-S45 PolarHBondContact O-N 3.42Å; H42-S45 WeakPolarHBondContact O-CB 3.35Å; H42-S45 PolarHBondContact O-N 2.9Å; L43-S45 VanDerWaalsContact C-N 3.3Å; L43-S45 PolarHBondContact O-N 3.44Å; S45-S48 PolarHBondContact O-N 3.38Å; S45-T49 PolarHBondContact O-N 3.36Å; S45-T49 PolarHBondContact O-OG1 3.45Å |
| 46 | Q | 97.6 | Very high | 94.5 | Very high | 107 Ų | 107 | 85.4 Ų | 85.4 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 178.9 | -73.1 | -174.8 | -39.8 | 0 | 0 | 112.1 | H42 L43 T44 T49 L50 | H42-Q46 PolarHBondContact NE2-NE2 3.11Å; H42-Q46 PolarHBondContact O-N 2.91Å; L43-Q46 PolarHBondContact O-N 3.05Å; T44-Q46 PolarHBondContact O-N 3.29Å; Q46-T49 PolarHBondContact O-N 2.99Å; Q46-L50 WeakPolarHBondContact O-CB 3.45Å; Q46-L50 PolarHBondContact O-N 3.08Å |
| 47 | I | 96.4 | Very high | 94.3 | Very high | 86 Ų | 86 | 89.1 Ų | 89.1 | 44% | 0.441 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 177.3 | -66.3 | 167.5 | 0 | 0 | 0 | 110 | L43 T44 T49 L50 L51 | L43-I47 HydrophobicContact CD1-CD1 4.34Å; L43-I47 HydrophobicContact CG-CD1 4.03Å; L43-I47 WeakPolarHBondContact O-CG1 3.31Å; L43-I47 PolarHBondContact O-N 3.21Å; T44-I47 PolarHBondContact O-N 2.96Å; I47-T49 PolarHBondContact O-N 3.2Å; I47-L50 PolarHBondContact O-N 2.96Å; I47-L51 HydrophobicContact CG2-CD1 3.79Å; I47-L51 HydrophobicContact CG2-CG 4.21Å; I47-L51 WeakPolarHBondContact O-CB 3.41Å; I47-L51 VanDerWaalsContact O-CG 3.29Å; I47-L51 WeakPolarHBondContact O-CG 3.41Å; I47-L51 PolarHBondContact O-N 2.89Å |
| 48 | S | 96.6 | Very high | 93.9 | Very high | 67 Ų | 67 | 90 Ų | 90 | 47% | 0.469 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 177.5 | -66.9 | 0 | 0 | 0 | 0 | 112.3 | T44 S45 L51 S52 | T44-S48 WeakPolarHBondContact O-CB 3.31Å; T44-S48 PolarHBondContact O-N 3.42Å; T44-S48 PolarHBondContact O-OG 2.99Å; T44-S48 VanDerWaalsContact O-OG 3.11Å; S45-S48 PolarHBondContact O-N 3.38Å; S48-L51 PolarHBondContact O-N 2.9Å; S48-S52 WeakPolarHBondContact O-CB 3.29Å; S48-S52 PolarHBondContact O-N 3.27Å |
| 49 | T | 96.1 | Very high | 93.4 | Very high | 92 Ų | 92 | 91.1 Ų | 91.1 | 56% | 0.564 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.9 | -43.1 | 176.1 | -60 | 0 | 0 | 0 | 0 | 111.8 | S45 Q46 I47 S52 S53 | S45-T49 PolarHBondContact O-N 3.36Å; S45-T49 PolarHBondContact O-OG1 3.45Å; Q46-T49 PolarHBondContact O-N 2.99Å; I47-T49 PolarHBondContact O-N 3.2Å; T49-S52 PolarHBondContact O-N 3.11Å; T49-S53 PolarHBondContact O-N 3.12Å; T49-S53 PolarHBondContact O-OG 2.92Å |
| 50 | L | 96.3 | Very high | 92.4 | Very high | 119 Ų | 119 | 91.7 Ų | 91.7 | 62% | 0.623 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.8 | -43.2 | 177.9 | -177.1 | 67.6 | 0 | 0 | 0 | 112 | Q46 I47 S53 F54 | Q46-L50 WeakPolarHBondContact O-CB 3.45Å; Q46-L50 PolarHBondContact O-N 3.08Å; I47-L50 PolarHBondContact O-N 2.96Å; L50-S53 PolarHBondContact O-N 3.34Å; L50-S53 PolarHBondContact O-OG 3.19Å; L50-S53 VanDerWaalsContact O-OG 3.07Å; L50-F54 VanDerWaalsContact O-CB 3.31Å; L50-F54 WeakPolarHBondContact O-CB 3.47Å; L50-F54 PolarHBondContact O-N 2.94Å |
| 51 | L | 95.6 | Very high | 91.2 | Very high | 108 Ų | 108 | 93.1 Ų | 93.1 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.3 | -37.6 | 178 | -69.5 | 176.9 | 0 | 0 | 0 | 111.7 | I47 S48 S55 | I47-L51 HydrophobicContact CG2-CD1 3.79Å; I47-L51 HydrophobicContact CG2-CG 4.21Å; I47-L51 WeakPolarHBondContact O-CB 3.41Å; I47-L51 VanDerWaalsContact O-CG 3.29Å; I47-L51 WeakPolarHBondContact O-CG 3.41Å; I47-L51 PolarHBondContact O-N 2.89Å; S48-L51 PolarHBondContact O-N 2.9Å; L51-S55 VanDerWaalsContact O-CB 3.31Å; L51-S55 WeakPolarHBondContact O-CB 3.34Å; L51-S55 PolarHBondContact O-N 2.9Å |
| 52 | S | 93.1 | Very high | 89.6 | Confident | 65 Ų | 65 | 92.1 Ų | 92.1 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -50.1 | 174.6 | -167.2 | 0 | 0 | 0 | 0 | 111 | S48 T49 F54 S55 D56 | S48-S52 WeakPolarHBondContact O-CB 3.29Å; S48-S52 PolarHBondContact O-N 3.27Å; T49-S52 PolarHBondContact O-N 3.11Å; S52-F54 VanDerWaalsContact C-N 3.29Å; S52-F54 PolarHBondContact O-N 2.84Å; S52-S55 WeakPolarHBondContact O-CB 3.45Å; S52-S55 PolarHBondContact O-N 3.31Å; S52-S55 VanDerWaalsContact O-N 3.12Å; S52-D56 VanDerWaalsContact O-CG 3.25Å; S52-D56 PolarHBondContact O-N 3.34Å |
| 53 | S | 92.7 | Very high | 87.8 | Confident | 47 Ų | 47 | 89.7 Ų | 89.7 | 33% | 0.329 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.4 | -31.6 | -178.8 | 68 | 0 | 0 | 0 | 0 | 112.9 | T49 L50 Q57 | T49-S53 PolarHBondContact O-N 3.12Å; T49-S53 PolarHBondContact O-OG 2.92Å; L50-S53 PolarHBondContact O-N 3.34Å; L50-S53 PolarHBondContact O-OG 3.19Å; L50-S53 VanDerWaalsContact O-OG 3.07Å; S53-Q57 WeakPolarHBondContact O-CG 3.42Å; S53-Q57 PolarHBondContact O-N 2.97Å; S53-Q57 PolarHBondContact O-NE2 3.27Å |
| 54 | F | 92.3 | Very high | 86 | Confident | 115 Ų | 115 | 89 Ų | 89 | 50% | 0.504 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.7 | -41.2 | 171.9 | -175.8 | -106.2 | 0 | 0 | 0 | 111.7 | L50 S52 Q57 L58 | L50-F54 VanDerWaalsContact O-CB 3.31Å; L50-F54 WeakPolarHBondContact O-CB 3.47Å; L50-F54 PolarHBondContact O-N 2.94Å; S52-F54 VanDerWaalsContact C-N 3.29Å; S52-F54 PolarHBondContact O-N 2.84Å; F54-Q57 PolarHBondContact O-N 2.9Å; F54-L58 HydrophobicContact CD1-CD1 3.89Å; F54-L58 HydrophobicContact CD1-CG 4.35Å; F54-L58 HydrophobicContact CE1-CD1 3.43Å; F54-L58 VanDerWaalsContact CE1-CD1 3.43Å; F54-L58 HydrophobicContact CE1-CG 4.01Å; F54-L58 HydrophobicContact CZ-CD1 3.99Å; F54-L58 HydrophobicContact CZ-CD2 4.26Å; F54-L58 HydrophobicContact CZ-CG 4.17Å; F54-L58 WeakPolarHBondContact O-CG 3.43Å; F54-L58 PolarHBondContact O-N 2.92Å |
| 55 | S | 90.3 | Very high | 84.2 | Confident | 61 Ų | 61 | 91 Ų | 91 | 43% | 0.427 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 174.4 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | L51 S52 Q57 L58 V59 | L51-S55 VanDerWaalsContact O-CB 3.31Å; L51-S55 WeakPolarHBondContact O-CB 3.34Å; L51-S55 PolarHBondContact O-N 2.9Å; S52-S55 WeakPolarHBondContact O-CB 3.45Å; S52-S55 PolarHBondContact O-N 3.31Å; S52-S55 VanDerWaalsContact O-N 3.12Å; S55-Q57 VanDerWaalsContact C-N 3.33Å; S55-Q57 PolarHBondContact O-N 2.99Å; S55-L58 PolarHBondContact O-N 3.26Å; S55-V59 WeakPolarHBondContact O-CG2 3.25Å; S55-V59 PolarHBondContact O-N 3.28Å; S55-V59 VanDerWaalsContact O-N 3.08Å |
| 56 | D | 87.6 | Confident | 82.2 | Confident | 96 Ų | 96 | 94.3 Ų | 94.3 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 177.7 | -65.3 | -31.3 | 0 | 0 | 0 | 110.9 | S52 L58 V59 E60 | S52-D56 VanDerWaalsContact O-CG 3.25Å; S52-D56 PolarHBondContact O-N 3.34Å; D56-L58 PolarHBondContact O-N 2.73Å; D56-V59 PolarHBondContact O-N 3.4Å; D56-E60 WeakPolarHBondContact O-CB 3.4Å; D56-E60 PolarHBondContact O-N 2.93Å |
| 57 | Q | 85.9 | Confident | 80.4 | Confident | 119 Ų | 119 | 96.1 Ų | 96.1 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.2 | -40.6 | 174.9 | -76.5 | 170 | 77.9 | 0 | 0 | 112.7 | S53 F54 S55 V59 E60 E61 | S53-Q57 WeakPolarHBondContact O-CG 3.42Å; S53-Q57 PolarHBondContact O-N 2.97Å; S53-Q57 PolarHBondContact O-NE2 3.27Å; F54-Q57 PolarHBondContact O-N 2.9Å; S55-Q57 VanDerWaalsContact C-N 3.33Å; S55-Q57 PolarHBondContact O-N 2.99Å; Q57-V59 VanDerWaalsContact C-N 3.26Å; Q57-V59 PolarHBondContact O-N 3.4Å; Q57-E60 PolarHBondContact O-N 2.97Å; Q57-E61 VanDerWaalsContact O-CB 3.32Å; Q57-E61 WeakPolarHBondContact O-CB 3.42Å; Q57-E61 PolarHBondContact O-N 3.09Å |
| 58 | L | 83.4 | Confident | 78.4 | Confident | 101 Ų | 101 | 101.4 Ų | 101.4 | 53% | 0.529 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.9 | -24.1 | 176.7 | -73.8 | -179.5 | 0 | 0 | 0 | 113.3 | F54 S55 D56 P62 | F54-L58 HydrophobicContact CD1-CD1 3.89Å; F54-L58 HydrophobicContact CD1-CG 4.35Å; F54-L58 HydrophobicContact CE1-CD1 3.43Å; F54-L58 VanDerWaalsContact CE1-CD1 3.43Å; F54-L58 HydrophobicContact CE1-CG 4.01Å; F54-L58 HydrophobicContact CZ-CD1 3.99Å; F54-L58 HydrophobicContact CZ-CD2 4.26Å; F54-L58 HydrophobicContact CZ-CG 4.17Å; F54-L58 WeakPolarHBondContact O-CG 3.43Å; F54-L58 PolarHBondContact O-N 2.92Å; S55-L58 PolarHBondContact O-N 3.26Å; D56-L58 PolarHBondContact O-N 2.73Å; L58-P62 WeakPolarHBondContact O-CD 3.26Å; L58-P62 VanDerWaalsContact O-CG 3.29Å; L58-P62 WeakPolarHBondContact O-CG 3.37Å |
| 59 | V | 82.5 | Confident | 76.5 | Confident | 101 Ų | 101 | 101.4 Ų | 101.4 | 61% | 0.612 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -84.7 | -34 | 175.4 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | S55 D56 Q57 P62 | S55-V59 WeakPolarHBondContact O-CG2 3.25Å; S55-V59 PolarHBondContact O-N 3.28Å; S55-V59 VanDerWaalsContact O-N 3.08Å; D56-V59 PolarHBondContact O-N 3.4Å; Q57-V59 VanDerWaalsContact C-N 3.26Å; Q57-V59 PolarHBondContact O-N 3.4Å; V59-P62 WeakPolarHBondContact O-CD 3.41Å; V59-P62 WeakPolarHBondContact O-CG 3.38Å |
| 60 | E | 76.3 | Confident | 74.5 | Confident | 131 Ų | 131 | 105.3 Ų | 105.3 | 61% | 0.612 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -80.5 | -33.5 | -178.3 | -162.2 | 176.8 | -178.7 | 0 | 0 | 113.7 | D56 Q57 A63 S64 | D56-E60 WeakPolarHBondContact O-CB 3.4Å; D56-E60 PolarHBondContact O-N 2.93Å; Q57-E60 PolarHBondContact O-N 2.97Å; E60-A63 PolarHBondContact O-N 2.84Å; E60-S64 PolarHBondContact O-N 2.85Å; E60-S64 PolarHBondContact O-OG 2.89Å |
| 61 | E | 69.4 | Low | 72.4 | Confident | 119 Ų | 119 | 108.5 Ų | 108.5 | 56% | 0.556 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -59.2 | -48.5 | 178 | -163.2 | -82 | 153.1 | 0 | 0 | 113.7 | Q57 A63 S64 L65 | Q57-E61 VanDerWaalsContact O-CB 3.32Å; Q57-E61 WeakPolarHBondContact O-CB 3.42Å; Q57-E61 PolarHBondContact O-N 3.09Å; E61-A63 VanDerWaalsContact C-N 3.29Å; E61-A63 PolarHBondContact O-N 3Å; E61-S64 PolarHBondContact O-N 2.73Å; E61-L65 PolarHBondContact O-N 2.76Å |
| 62 | P | 61.9 | Low | 70.1 | Confident | 55 Ų | 55 | 112.5 Ų | 112.5 | 36% | 0.357 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.7 | -24.2 | 178.1 | 28 | -35.5 | 0 | 0 | 0 | 113 | L58 V59 H66 | L58-P62 WeakPolarHBondContact O-CD 3.26Å; L58-P62 VanDerWaalsContact O-CG 3.29Å; L58-P62 WeakPolarHBondContact O-CG 3.37Å; V59-P62 WeakPolarHBondContact O-CD 3.41Å; V59-P62 WeakPolarHBondContact O-CG 3.38Å; P62-H66 PolarHBondContact O-N 2.86Å; P62-H66 PolarHBondContact O-ND1 2.92Å |
| 63 | A | 59.8 | Low | 68 | Low | 55 Ų | 55 | 116.9 Ų | 116.9 | 46% | 0.455 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -71.9 | -36.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E60 E61 | E60-A63 PolarHBondContact O-N 2.84Å; E61-A63 VanDerWaalsContact C-N 3.29Å; E61-A63 PolarHBondContact O-N 3Å |
| 64 | S | 57.9 | Low | 65.8 | Low | 79 Ų | 79 | 121 Ų | 121 | 55% | 0.552 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.3 | -29.3 | 176.4 | -63.6 | 0 | 0 | 0 | 0 | 112.8 | E60 E61 | E60-S64 PolarHBondContact O-N 2.85Å; E60-S64 PolarHBondContact O-OG 2.89Å; E61-S64 PolarHBondContact O-N 2.73Å |
| 65 | L | 58.6 | Low | 63.5 | Low | 121 Ų | 121 | 118.4 Ų | 118.4 | 63% | 0.634 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73.7 | -35.6 | 177.1 | -158.1 | 89.6 | 0 | 0 | 0 | 112.5 | E61 I67 K68 | E61-L65 PolarHBondContact O-N 2.76Å; L65-I67 PolarHBondContact O-N 3.29Å; L65-K68 PolarHBondContact O-N 3.33Å |
| 66 | H | 56.6 | Low | 61.4 | Low | 137 Ų | 137 | 121.9 Ų | 121.9 | 63% | 0.634 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -70.7 | -24.5 | -176.4 | -100.7 | 88.3 | 0 | 0 | 0 | 114.8 | P62 K68 | P62-H66 PolarHBondContact O-N 2.86Å; P62-H66 PolarHBondContact O-ND1 2.92Å; H66-K68 VanDerWaalsContact C-N 3.32Å; H66-K68 PolarHBondContact O-N 3Å |
| 67 | I | 58.1 | Low | 59.5 | Low | 145 Ų | 145 | 123 Ų | 123 | 74% | 0.744 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -12.6 | -177.1 | -59.6 | 177.8 | 0 | 0 | 0 | 112 | L65 | L65-I67 PolarHBondContact O-N 3.29Š|
| 68 | K | 54.8 | Low | 57.9 | Low | 196 Ų | 196 | 122.7 Ų | 122.7 | 85% | 0.852 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 2 | -174.3 | -146.4 | 155.7 | -178.8 | 175.7 | 0 | 114.8 | L65 H66 | L65-K68 PolarHBondContact O-N 3.33Å; H66-K68 VanDerWaalsContact C-N 3.32Å; H66-K68 PolarHBondContact O-N 3Å |
| 69 | G | 56.5 | Low | 56.2 | Low | 67 Ų | 67 | 123 Ų | 123 | 69% | 0.691 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -108 | -8.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 70 | E | 55.9 | Low | 54.7 | Low | 174 Ų | 174 | 125 Ų | 125 | 81% | 0.813 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -118.9 | 18 | -166.6 | -58.7 | -170 | 130.2 | 0 | 0 | 114.3 | | |
| 71 | Q | 51.2 | Low | 53.7 | Low | 187 Ų | 187 | 126.8 Ų | 126.8 | 87% | 0.874 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -125.3 | 50.9 | 178.4 | -158.5 | -176.4 | 33 | 0 | 0 | 112.9 | | |
| 72 | E | 46.9 | Very low | 52.6 | Low | 192 Ų | 192 | 124.4 Ų | 124.4 | 90% | 0.897 | 73% | 0.727 | S | S | * | * | | | trans | -161.3 | 72.2 | 154.2 | -148 | 171.5 | 114.8 | 0 | 0 | 110.2 | | |
| 73 | D | 48.7 | Very low | 52 | Low | 157 Ų | 157 | 129.4 Ų | 129.4 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | | | trans | -95.4 | 148.8 | 158.6 | -175.6 | 28.9 | 0 | 0 | 0 | 108.1 | | |
| 74 | V | 46.9 | Very low | 51.4 | Low | 132 Ų | 132 | 131.7 Ų | 131.7 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | | | trans | 86.8 | 76.4 | -170.9 | -167.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 75 | G | 44.5 | Very low | 50.8 | Low | 61 Ų | 61 | 139.3 Ų | 139.3 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -167.5 | 27.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 76 | T | 45 | Very low | 50.4 | Low | 134 Ų | 134 | 141 Ų | 141 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | 78.4 | 127 | 164.4 | -11 | 0 | 0 | 0 | 0 | 118.2 | | |
| 77 | P | 48.9 | Very low | 49.9 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | trans | -91 | 129.6 | 172.4 | 35.1 | -28.5 | 0 | 0 | 0 | 110.2 | | |
| 78 | S | 51.2 | Low | 49.5 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | -161.5 | 117.4 | 166.7 | -85.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 79 | S | 48 | Very low | 48.9 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | trans | 66.1 | 135.7 | 145.8 | -130.7 | 0 | 0 | 0 | 0 | 116.3 | | |
| 80 | L | 52.2 | Low | 48.5 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | | | cis | -178.2 | 110.2 | 44.8 | -161.6 | 135.9 | 0 | 0 | 0 | 103.9 | | |
| 81 | L | 54.4 | Low | 47.9 | Very low | 167 Ų | 167 | 136.8 Ų | 136.8 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | | 56.6 | 117.9 | 106.4 | -159.5 | 78.8 | 0 | 0 | 0 | 115.2 | | |
| 82 | G | 47.6 | Very low | 47.9 | Very low | 70 Ų | 70 | 134.7 Ų | 134.7 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | | | trans | 129.1 | 73.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 83 | D | 48 | Very low | 48 | Very low | 160 Ų | 160 | 133.2 Ų | 133.2 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | | | | 70.6 | 134.9 | 84 | -148.2 | 2.5 | 0 | 0 | 0 | 114.3 | | |
| 84 | S | 48.2 | Very low | 47.7 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | | | trans | 85.5 | 87.5 | 170.2 | -53 | 0 | 0 | 0 | 0 | 120.5 | | |
| 85 | R | 43.9 | Very low | 47.8 | Very low | 239 Ų | 239 | 134.4 Ų | 134.4 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | | | | 22 | 119.3 | 124.2 | -60 | 178.3 | -176 | -127.4 | -0.6 | 118 | | |
| 86 | L | 50.9 | Low | 47.8 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | | 171 | 137.8 | 109.6 | -88.4 | 167.3 | 0 | 0 | 0 | 109.4 | A88 | L86-A88 PolarHBondContact O-N 3.01Å; L86-A88 VanDerWaalsContact O-N 3.11Å |
| 87 | P | 46.9 | Very low | 47.8 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | | | trans | -82 | 91.7 | 174.9 | 32.9 | -27.6 | 0 | 0 | 0 | 108.3 | | |
| 88 | A | 49.4 | Very low | 47.7 | Very low | 80 Ų | 80 | 141.2 Ų | 141.2 | 66% | 0.661 | 78% | 0.782 | S | S | * | * | | | trans | -99.2 | 115 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | L86 H90 | L86-A88 PolarHBondContact O-N 3.01Å; L86-A88 VanDerWaalsContact O-N 3.11Å; A88-H90 PolarHBondContact O-N 3.35Å; A88-H90 VanDerWaalsContact O-N 3.12Å |
| 89 | N | 43 | Very low | 47.9 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | | | trans | -37 | 112.8 | 157.5 | -95.8 | -65.3 | 0 | 0 | 0 | 110.6 | | |
| 90 | H | 46.7 | Very low | 47.8 | Very low | 153 Ų | 153 | 145 Ų | 145 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | | | trans | -112.5 | 82.6 | 167 | -133.1 | -67 | 0 | 0 | 0 | 108.4 | A88 E92 | A88-H90 PolarHBondContact O-N 3.35Å; A88-H90 VanDerWaalsContact O-N 3.12Å; H90-E92 IonicContact CE1-OE2 3.59Å; H90-E92 PolarHBondContact O-N 3.28Å |
| 91 | A | 43.2 | Very low | 47.8 | Very low | 99 Ų | 99 | 146.9 Ų | 146.9 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -74.5 | 93.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 92 | E | 50.9 | Low | 47.4 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 67% | 0.668 | 78% | 0.781 | S | S | * | * | | | trans | -164.2 | 145.5 | 160.1 | -138.4 | -179.9 | 164 | 0 | 0 | 112.4 | H90 | H90-E92 IonicContact CE1-OE2 3.59Å; H90-E92 PolarHBondContact O-N 3.28Å |
| 93 | K | 50.1 | Low | 47.3 | Very low | 161 Ų | 161 | 150 Ų | 150 | 70% | 0.7 | 79% | 0.789 | S | S | * | * | | | trans | 91.6 | 67.9 | 170.7 | -58.4 | -172.9 | 179.4 | -175 | 0 | 116.5 | Q95 | K93-Q95 PolarHBondContact O-N 2.76Å; K93-Q95 VanDerWaalsContact O-N 3.08Å |
| 94 | V | 41.6 | Very low | 47.1 | Very low | 149 Ų | 149 | 145.4 Ų | 145.4 | 90% | 0.903 | 78% | 0.779 | S | S | * | * | | | | -29.5 | 102.6 | 120.3 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 95 | Q | 48.6 | Very low | 47.4 | Very low | 165 Ų | 165 | 149.5 Ų | 149.5 | 77% | 0.771 | 79% | 0.792 | S | S | * | * | | | trans | -124.3 | 88.1 | 162 | -98.8 | -171.5 | -24.3 | 0 | 0 | 108 | K93 K97 | K93-Q95 PolarHBondContact O-N 2.76Å; K93-Q95 VanDerWaalsContact O-N 3.08Å; Q95-K97 PolarHBondContact O-N 2.97Å |
| 96 | E | 45.1 | Very low | 47.8 | Very low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | 9 | 98.3 | 131.2 | -162.3 | 173.2 | -168.8 | 0 | 0 | 115 | | |
| 97 | K | 46.3 | Very low | 47.8 | Very low | 157 Ų | 157 | 143.4 Ų | 143.4 | 68% | 0.683 | 78% | 0.778 | S | S | * | * | | | trans | -127.5 | 66.5 | 159.1 | -156.6 | 171 | 179.7 | -179.2 | 0 | 109.1 | Q95 E99 | Q95-K97 PolarHBondContact O-N 2.97Å; K97-E99 WeakPolarHBondContact CE-OE1 3.29Å; K97-E99 WeakPolarHBondContact CE-OE2 3.46Å; K97-E99 HydrophobicContact CG-CB 4.39Å; K97-E99 HydrophobicContact CG-CG 3.87Å; K97-E99 IonicContact NZ-OE1 3.93Å; K97-E99 IonicContact NZ-OE2 3.48Å; K97-E99 PolarHBondContact NZ-OE2 2.71Å; K97-E99 PolarHBondContact O-N 2.78Å |
| 98 | T | 45.2 | Very low | 48.1 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | trans | -78.1 | 68 | 166 | -8.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 99 | E | 55.9 | Low | 48.3 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 62% | 0.621 | 78% | 0.783 | S | S | * | * | | | trans | -92.9 | 104.3 | 173.6 | -76.9 | -177.6 | -178.2 | 0 | 0 | 109.9 | K97 | K97-E99 WeakPolarHBondContact CE-OE1 3.29Å; K97-E99 WeakPolarHBondContact CE-OE2 3.46Å; K97-E99 HydrophobicContact CG-CB 4.39Å; K97-E99 HydrophobicContact CG-CG 3.87Å; K97-E99 IonicContact NZ-OE1 3.93Å; K97-E99 IonicContact NZ-OE2 3.48Å; K97-E99 PolarHBondContact NZ-OE2 2.71Å; K97-E99 PolarHBondContact O-N 2.78Å |
| 100 | Q | 45.8 | Very low | 48.7 | Very low | 168 Ų | 168 | 143.2 Ų | 143.2 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | trans | 54.9 | 84.1 | 134.1 | -58.9 | -171.9 | 0.9 | 0 | 0 | 118 | | |
| 101 | L | 51.8 | Low | 49 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 96% | 0.958 | 78% | 0.778 | S | S | * | * | | | trans | -134.9 | 59.1 | 145.4 | -74.9 | 177.4 | 0 | 0 | 0 | 110 | | |
| 102 | S | 46.5 | Very low | 49.5 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | -111.8 | 71.7 | 164.3 | 35.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 103 | Q | 45.8 | Very low | 49.3 | Very low | 193 Ų | 193 | 143 Ų | 143 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | | | trans | -149.1 | 109.2 | 169.6 | -103.7 | 173.4 | 22.9 | 0 | 0 | 111.1 | | |
| 104 | G | 42.6 | Very low | 49.6 | Very low | 62 Ų | 62 | 143.5 Ų | 143.5 | 64% | 0.639 | 79% | 0.786 | S | S | * | * | | | trans | 84.1 | 80.8 | 138.8 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 105 | L | 55.4 | Low | 50.2 | Low | 189 Ų | 189 | 142 Ų | 142 | 99% | 0.99 | 78% | 0.779 | S | S | * | * | | | trans | -134 | 88.2 | 138.6 | -148 | 92 | 0 | 0 | 0 | 109.8 | | |
| 106 | N | 51.4 | Low | 50.6 | Low | 124 Ų | 124 | 140.9 Ų | 140.9 | 66% | 0.663 | 78% | 0.777 | S | S | * | * | | | trans | -99.3 | 132.9 | -179.4 | 41 | -34 | 0 | 0 | 0 | 110.2 | | |
| 107 | N | 51.2 | Low | 51.1 | Low | 144 Ų | 144 | 141 Ų | 141 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | | | trans | 70.8 | 90.8 | 149.1 | -44 | -15.6 | 0 | 0 | 0 | 117.7 | | |
| 108 | N | 52.9 | Low | 51.5 | Low | 160 Ų | 160 | 140.1 Ų | 140.1 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | | | | -165.1 | 150.1 | 127.4 | -134.7 | -33.4 | 0 | 0 | 0 | 113.9 | | |
| 109 | V | 54.3 | Low | 52.1 | Low | 123 Ų | 123 | 139.7 Ų | 139.7 | 75% | 0.745 | 77% | 0.771 | S | S | * | * | | | trans | 80.6 | 86 | 166.2 | -166.2 | 0 | 0 | 0 | 0 | 115.6 | | |
| 110 | A | 51.2 | Low | 52.2 | Low | 91 Ų | 91 | 143.3 Ų | 143.3 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | trans | -50.4 | 152.6 | 146.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 111 | D | 54.2 | Low | 52.9 | Low | 141 Ų | 141 | 140.4 Ų | 140.4 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | | | trans | 111.7 | 136.6 | 160.7 | -153.7 | 17.9 | 0 | 0 | 0 | 115.3 | | |
| 112 | M | 53 | Low | 53.3 | Low | 156 Ų | 156 | 135.9 Ų | 135.9 | 77% | 0.768 | 75% | 0.752 | S | S | * | * | | | trans | 85.2 | 76.8 | 174.6 | -51.7 | -55.7 | -145.8 | 0 | 0 | 118.2 | | |
| 113 | A | 46.7 | Very low | 53.8 | Low | 95 Ų | 95 | 136.2 Ų | 136.2 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | | | trans | -1.3 | 116.8 | 132.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 114 | Q | 56.8 | Low | 54.8 | Low | 170 Ų | 170 | 129.2 Ų | 129.2 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | | | | -173 | 138.1 | 121.6 | -83 | -119.5 | -21.9 | 0 | 0 | 108.6 | I116 | Q114-I116 PolarHBondContact O-N 2.87Š|
| 115 | P | 54.4 | Low | 56 | Low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | | | trans | -68.5 | 99.2 | 171.9 | 28.4 | -30.5 | 0 | 0 | 0 | 108.2 | M117 | P115-M117 PolarHBondContact O-N 2.85Š|
| 116 | I | 55.3 | Low | 57 | Low | 141 Ų | 141 | 128.9 Ų | 128.9 | 72% | 0.723 | 71% | 0.712 | S | S | * | * | | | trans | -59 | 110.5 | 162.9 | -67.8 | 173 | 0 | 0 | 0 | 105.4 | Q114 Q118 | Q114-I116 PolarHBondContact O-N 2.87Å; I116-Q118 HydrophobicContact CG2-CG 3.8Å; I116-Q118 PolarHBondContact O-N 2.94Å |
| 117 | M | 55.4 | Low | 58 | Low | 175 Ų | 175 | 125.8 Ų | 125.8 | 86% | 0.862 | 71% | 0.709 | S | S | * | * | | | trans | -61.9 | 81.8 | 162 | -75.8 | -169.7 | 59.9 | 0 | 0 | 107.5 | P115 N119 | P115-M117 PolarHBondContact O-N 2.85Å; M117-N119 PolarHBondContact O-N 2.55Å |
| 118 | Q | 56.1 | Low | 59 | Low | 139 Ų | 139 | 128 Ų | 128 | 65% | 0.65 | 71% | 0.706 | S | S | * | * | | | trans | -67.6 | 94.7 | 164.4 | -81.5 | -167.8 | -14.7 | 0 | 0 | 105.6 | I116 R120 | I116-Q118 HydrophobicContact CG2-CG 3.8Å; I116-Q118 PolarHBondContact O-N 2.94Å; Q118-R120 HydrophobicContact CB-CG 4.3Å; Q118-R120 PolarHBondContact O-N 3.34Å |
| 119 | N | 57.2 | Low | 59.7 | Low | 117 Ų | 117 | 127.1 Ų | 127.1 | 63% | 0.626 | 70% | 0.701 | S | S | * | * | | | trans | -63.4 | 83.4 | 162.6 | -148 | 4.9 | 0 | 0 | 0 | 105.9 | M117 L121 L132 | M117-N119 PolarHBondContact O-N 2.55Å; N119-L121 PolarHBondContact O-N 3.02Å; N119-L132 WeakPolarHBondContact ND2-CD2 3.05Å |
| 120 | R | 57.7 | Low | 60.4 | Low | 209 Ų | 209 | 124.9 Ų | 124.9 | 79% | 0.789 | 69% | 0.69 | S | S | * | * | | | trans | -67.7 | 89 | 177.5 | -78.8 | -173.1 | 165.2 | -165 | -4.3 | 106.8 | Q118 S122 | Q118-R120 HydrophobicContact CB-CG 4.3Å; Q118-R120 PolarHBondContact O-N 3.34Å; R120-S122 VanDerWaalsContact C-N 3.28Å; R120-S122 PolarHBondContact O-N 3.31Å |
| 121 | L | 60.4 | Low | 61.3 | Low | 108 Ų | 108 | 129.3 Ų | 129.3 | 57% | 0.565 | 70% | 0.695 | S | S | * | * | | | trans | -61.4 | 97.9 | 160.3 | -73.8 | 164.8 | 0 | 0 | 0 | 106.7 | N119 V123 | N119-L121 PolarHBondContact O-N 3.02Å; L121-V123 PolarHBondContact O-N 3.32Å |
| 122 | S | 60.3 | Low | 62 | Low | 87 Ų | 87 | 127.5 Ų | 127.5 | 61% | 0.608 | 69% | 0.685 | S | S | * | * | | | trans | -73.5 | 108.4 | 165.9 | 51.5 | 0 | 0 | 0 | 0 | 107.3 | R120 T124 | R120-S122 VanDerWaalsContact C-N 3.28Å; R120-S122 PolarHBondContact O-N 3.31Å; S122-T124 PolarHBondContact O-N 3.3Å |
| 123 | V | 57.3 | Low | 63 | Low | 119 Ų | 119 | 127.7 Ų | 127.7 | 72% | 0.721 | 69% | 0.688 | S | S | * | * | | | trans | -72.3 | 113.8 | 167.6 | 178.3 | 0 | 0 | 0 | 0 | 106.9 | L121 | L121-V123 PolarHBondContact O-N 3.32Š|
| 124 | T | 66.6 | Low | 64 | Low | 45 Ų | 45 | 128.5 Ų | 128.5 | 28% | 0.276 | 68% | 0.683 | S | S | . | * | | | trans | -71.3 | 147.1 | 170.5 | 42.9 | 0 | 0 | 0 | 0 | 109.3 | S122 D126 G127 W128 | S122-T124 PolarHBondContact O-N 3.3Å; T124-D126 WeakPolarHBondContact CB-OD1 3.35Å; T124-D126 PolarHBondContact O-N 2.69Å; T124-D126 PolarHBondContact OG1-OD1 2.93Å; T124-G127 PolarHBondContact O-N 2.83Å; T124-W128 PolarHBondContact OG1-O 3.1Å |
| 125 | P | 67.5 | Low | 64.7 | Low | 143 Ų | 143 | 125.8 Ų | 125.8 | 93% | 0.929 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -7.7 | -175.7 | 23.5 | -32.2 | 0 | 0 | 0 | 114.3 | G127 | P125-G127 VanDerWaalsContact C-N 3.33Š|
| 126 | D | 76.3 | Confident | 65.4 | Low | 102 Ų | 102 | 125.1 Ų | 125.1 | 55% | 0.545 | 68% | 0.677 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.1 | 0.4 | 173.6 | 58.9 | 7.3 | 0 | 0 | 0 | 113.4 | T124 W128 | T124-D126 WeakPolarHBondContact CB-OD1 3.35Å; T124-D126 PolarHBondContact O-N 2.69Å; T124-D126 PolarHBondContact OG1-OD1 2.93Å; D126-W128 VanDerWaalsContact C-N 3.25Å; D126-W128 VanDerWaalsContact CG-CD1 3.44Å; D126-W128 PolarHBondContact O-N 2.9Å; D126-W128 PolarHBondContact OD1-N 2.83Å |
| 127 | G | 72.4 | Confident | 66.2 | Low | 58 Ų | 58 | 124 Ų | 124 | 60% | 0.598 | 68% | 0.679 | S | S | * | * | | | trans | 76.4 | 6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T124 P125 | T124-G127 PolarHBondContact O-N 2.83Å; P125-G127 VanDerWaalsContact C-N 3.33Å |
| 128 | W | 73.9 | Confident | 66.9 | Low | 190 Ų | 190 | 121.7 Ų | 121.7 | 72% | 0.72 | 68% | 0.676 | S | S | * | * | | | trans | -83.7 | 121.3 | 177.4 | -64.5 | 86.3 | 0 | 0 | 0 | 110.3 | T124 D126 S130 | T124-W128 PolarHBondContact OG1-O 3.1Å; D126-W128 VanDerWaalsContact C-N 3.25Å; D126-W128 VanDerWaalsContact CG-CD1 3.44Å; D126-W128 PolarHBondContact O-N 2.9Å; D126-W128 PolarHBondContact OD1-N 2.83Å; W128-S130 PolarHBondContact O-N 3.15Å |
| 129 | I | 67.1 | Low | 67.4 | Low | 143 Ų | 143 | 123.1 Ų | 123.1 | 73% | 0.733 | 69% | 0.687 | S | S | * | * | | | trans | -74.5 | 116 | 169.3 | -57.7 | 169.3 | 0 | 0 | 0 | 106.4 | E131 | I129-E131 PolarHBondContact O-N 2.85Š|
| 130 | S | 68.5 | Low | 67.7 | Low | 75 Ų | 75 | 122.3 Ų | 122.3 | 52% | 0.524 | 69% | 0.689 | S | S | . | * | | | trans | -63 | 126.6 | 171.5 | -68.9 | 0 | 0 | 0 | 0 | 109.4 | W128 L132 | W128-S130 PolarHBondContact O-N 3.15Å; S130-L132 PolarHBondContact O-N 3.07Å |
| 131 | E | 70.5 | Confident | 68.2 | Low | 185 Ų | 185 | 122 Ų | 122 | 86% | 0.864 | 71% | 0.714 | S | S | * | * | | | trans | -53.1 | 127.4 | 180 | -166.5 | 175.2 | 172.6 | 0 | 0 | 110.4 | I129 I133 | I129-E131 PolarHBondContact O-N 2.85Å; E131-I133 PolarHBondContact O-N 2.97Å; E131-I133 VanDerWaalsContact O-N 3.1Å |
| 132 | L | 69.4 | Low | 68.5 | Low | 102 Ų | 102 | 122.7 Ų | 122.7 | 53% | 0.534 | 72% | 0.722 | S | S | . | * | | | trans | -59.6 | 112.7 | 178.1 | -90.1 | 149.9 | 0 | 0 | 0 | 109.5 | N119 S130 V134 | N119-L132 WeakPolarHBondContact ND2-CD2 3.05Å; S130-L132 PolarHBondContact O-N 3.07Å; L132-V134 VanDerWaalsContact C-N 3.31Å; L132-V134 PolarHBondContact O-N 3.2Å |
| 133 | I | 73 | Confident | 69 | Low | 161 Ų | 161 | 124.6 Ų | 124.6 | 83% | 0.826 | 73% | 0.727 | S | S | * | * | | | trans | -66.2 | 97.2 | 164.5 | -58.7 | 172.8 | 0 | 0 | 0 | 106.5 | E131 P135 | E131-I133 PolarHBondContact O-N 2.97Å; E131-I133 VanDerWaalsContact O-N 3.1Å; I133-P135 WeakPolarHBondContact O-CD 3.45Å |
| 134 | V | 68.2 | Low | 69.6 | Low | 112 Ų | 112 | 124.9 Ų | 124.9 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 123.8 | 171.1 | 179.5 | 0 | 0 | 0 | 0 | 107.5 | L132 S136 | L132-V134 VanDerWaalsContact C-N 3.31Å; L132-V134 PolarHBondContact O-N 3.2Å; V134-S136 PolarHBondContact O-N 3.06Å; V134-S136 VanDerWaalsContact O-N 3.07Å |
| 135 | P | 71.9 | Confident | 69.8 | Low | 113 Ų | 113 | 129.6 Ų | 129.6 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -61 | 116.5 | 172.7 | -15 | 27.5 | 0 | 0 | 0 | 108.4 | I133 | I133-P135 WeakPolarHBondContact O-CD 3.45Š|
| 136 | S | 69.3 | Low | 70 | Confident | 103 Ų | 103 | 128.8 Ų | 128.8 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 132.3 | 171.2 | -67.3 | 0 | 0 | 0 | 0 | 108.8 | V134 T138 | V134-S136 PolarHBondContact O-N 3.06Å; V134-S136 VanDerWaalsContact O-N 3.07Å; S136-T138 PolarHBondContact O-N 3.22Å; S136-T138 VanDerWaalsContact O-N 3.15Å |
| 137 | P | 71 | Confident | 69.5 | Low | 117 Ų | 117 | 130.5 Ų | 130.5 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 119.6 | 176 | 24.8 | -31.5 | 0 | 0 | 0 | 109.2 | L139 | P137-L139 PolarHBondContact O-N 3.5Š|
| 138 | T | 71.3 | Confident | 69.3 | Low | 128 Ų | 128 | 135.7 Ų | 135.7 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | -67.4 | 102.2 | 169.3 | -49.7 | 0 | 0 | 0 | 0 | 108.2 | S136 C140 | S136-T138 PolarHBondContact O-N 3.22Å; S136-T138 VanDerWaalsContact O-N 3.15Å; T138-C140 PolarHBondContact O-N 3.41Å |
| 139 | L | 66.5 | Low | 69 | Low | 168 Ų | 168 | 131.5 Ų | 131.5 | 88% | 0.88 | 77% | 0.772 | S | S | * | * | | | trans | -71 | 102 | 161 | -95.6 | 143.3 | 0 | 0 | 0 | 107.1 | P137 | P137-L139 PolarHBondContact O-N 3.5Š|
| 140 | C | 62.6 | Low | 69.1 | Low | 101 Ų | 101 | 130.6 Ų | 130.6 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | | | trans | -66.5 | 146.4 | 164 | -72.5 | 0 | 0 | 0 | 0 | 109.5 | T138 | T138-C140 PolarHBondContact O-N 3.41Š|
| 141 | P | 67.3 | Low | 69.2 | Low | 202 Ų | 202 | 135.6 Ų | 135.6 | 100% | 1.312 | 80% | 0.798 | S | S | * | * | | | trans | -64.4 | 0 | -178.4 | 28.7 | -36 | 0 | 0 | 0 | 113.7 | | |