| 1 | M | 42.9 | Very low | 40.3 | Very low | 246 Ų | 246 | 143.8 Ų | 143.8 | 100% | 1.212 | 84% | 0.842 | S | S | * | * | | | | 0 | 72.6 | 0 | -66.2 | 162.4 | 123.4 | 0 | 0 | 105.8 | | |
| 2 | D | 38.6 | Very low | 40.8 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 80% | 0.802 | 84% | 0.842 | S | S | * | * | | | | 79 | 105.3 | 86.3 | -132.6 | -12.4 | 0 | 0 | 0 | 113.2 | | |
| 3 | S | 41.3 | Very low | 40.3 | Very low | 103 Ų | 103 | 148.4 Ų | 148.4 | 72% | 0.72 | 84% | 0.84 | S | S | * | * | | | trans | 49.5 | 107.2 | 140.5 | -51.9 | 0 | 0 | 0 | 0 | 121.4 | | |
| 4 | T | 43 | Very low | 40.2 | Very low | 142 Ų | 142 | 146.4 Ų | 146.4 | 87% | 0.871 | 84% | 0.84 | S | S | * | * | | | trans | -14.3 | 129.3 | 137.6 | -50.8 | 0 | 0 | 0 | 0 | 116.4 | | |
| 5 | M | 39 | Very low | 39.9 | Very low | 190 Ų | 190 | 144.5 Ų | 144.5 | 94% | 0.936 | 83% | 0.832 | S | S | * | * | | | trans | -143.9 | 119.2 | 147.4 | -161.9 | 173.4 | -133.6 | 0 | 0 | 110.6 | | |
| 6 | A | 45 | Very low | 40.1 | Very low | 89 Ų | 89 | 144 Ų | 144 | 74% | 0.736 | 83% | 0.832 | S | S | * | * | | | trans | -79.9 | 146.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 7 | K | 38.5 | Very low | 39.9 | Very low | 200 Ų | 200 | 142.2 Ų | 142.2 | 87% | 0.87 | 83% | 0.83 | S | S | * | * | | | trans | -151.2 | 96.5 | 150.7 | -158.6 | 165.1 | -175.7 | 173.9 | 0 | 112.7 | | |
| 8 | T | 37.2 | Very low | 40.1 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 78% | 0.779 | 83% | 0.826 | S | S | * | * | | | | 51.1 | 100.5 | 128 | -45.9 | 0 | 0 | 0 | 0 | 120.4 | | |
| 9 | T | 43 | Very low | 39.8 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 83% | 0.834 | 83% | 0.829 | S | S | * | * | | | trans | -27.5 | 139.9 | 139.3 | -55.5 | 0 | 0 | 0 | 0 | 118 | | |
| 10 | A | 37.8 | Very low | 40.1 | Very low | 88 Ų | 88 | 142 Ų | 142 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | | | trans | 146.2 | 134.4 | 132.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 11 | S | 36.4 | Very low | 40.8 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | | | cis | -167.6 | 154.9 | -5 | 41.3 | 0 | 0 | 0 | 0 | 107.1 | | |
| 12 | F | 47 | Very low | 40.6 | Very low | 192 Ų | 192 | 135.2 Ų | 135.2 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | | | trans | -66.6 | 153.7 | -177.9 | -55 | -95.6 | 0 | 0 | 0 | 114.1 | | |
| 13 | L | 34.4 | Very low | 40.9 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | | | | -178.1 | 115.5 | 106 | -124.4 | 66.3 | 0 | 0 | 0 | 111.3 | | |
| 14 | S | 39.4 | Very low | 40.7 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | | | trans | -86.7 | 133.8 | 155.1 | -65.3 | 0 | 0 | 0 | 0 | 108 | | |
| 15 | T | 34.9 | Very low | 40.7 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | | | trans | -134.6 | 105.9 | 156.8 | -62.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 16 | V | 43.4 | Very low | 40.4 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | | | trans | -84 | 136.1 | 159.1 | 82.1 | 0 | 0 | 0 | 0 | 107.1 | | |
| 17 | S | 36.8 | Very low | 40.1 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | | | trans | -152.7 | 117.4 | 155.3 | -87.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 18 | S | 42.8 | Very low | 40.1 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | | | trans | -69.2 | 143.2 | 171.5 | 48.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 19 | M | 35.5 | Very low | 40 | Very low | 180 Ų | 180 | 132.3 Ų | 132.3 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | | | trans | -172.1 | 102.9 | 138.8 | -105 | 172.7 | 157.2 | 0 | 0 | 111.3 | | |
| 20 | T | 45.3 | Very low | 39.6 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | trans | 30.4 | 156.8 | 140.5 | 48.3 | 0 | 0 | 0 | 0 | 124.2 | | |
| 21 | P | 54.4 | Low | 40.2 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | | | trans | -103.1 | 158.4 | -144.7 | 40.2 | -33.4 | 0 | 0 | 0 | 114.3 | | |
| 22 | T | 38.4 | Very low | 40.4 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -148.5 | 108.9 | 159.9 | -35.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 23 | S | 46.3 | Very low | 40 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | trans | -56.6 | 133 | 163.1 | -53.2 | 0 | 0 | 0 | 0 | 110 | | |
| 24 | M | 36.2 | Very low | 40.1 | Very low | 166 Ų | 166 | 130.1 Ų | 130.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -160.8 | 112.6 | 146.1 | -78.4 | -142.2 | -136.4 | 0 | 0 | 111.1 | | |
| 25 | T | 42 | Very low | 39.8 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | | | trans | 43 | 111.4 | 136.8 | 56.3 | 0 | 0 | 0 | 0 | 119.4 | L27 | T25-L27 PolarHBondContact O-N 3.22Š|
| 26 | S | 33.3 | Very low | 40.1 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | | | trans | -71.1 | 115.7 | 160.8 | -168 | 0 | 0 | 0 | 0 | 109.5 | | |
| 27 | L | 38.2 | Very low | 39.9 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 82% | 0.817 | 81% | 0.807 | S | S | * | * | | | trans | -85 | 120 | 172.8 | -72.4 | 168.8 | 0 | 0 | 0 | 109.3 | T25 | T25-L27 PolarHBondContact O-N 3.22Š|
| 28 | L | 38.4 | Very low | 40.6 | Very low | 171 Ų | 171 | 145 Ų | 145 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | | | trans | -82.5 | 110.6 | 166.1 | -171.2 | 69.9 | 0 | 0 | 0 | 108.2 | | |
| 29 | A | 37.1 | Very low | 40.4 | Very low | 92 Ų | 92 | 147.3 Ų | 147.3 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | | | trans | -117.7 | 99.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 30 | V | 33.4 | Very low | 41 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 72% | 0.715 | 81% | 0.809 | S | S | * | * | | | trans | -118.8 | 103.3 | 155.7 | 171.9 | 0 | 0 | 0 | 0 | 106.1 | | |
| 31 | T | 50.7 | Low | 40.8 | Very low | 132 Ų | 132 | 145 Ų | 145 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | | | trans | -74.7 | 124.1 | 162.9 | 41.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 32 | T | 40.1 | Very low | 40.5 | Very low | 133 Ų | 133 | 145.8 Ų | 145.8 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | | | trans | -135.1 | 113.6 | 146.5 | 36.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 33 | D | 38.6 | Very low | 40.6 | Very low | 165 Ų | 165 | 144.3 Ų | 144.3 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | | | trans | -63 | 166.5 | 166.5 | -132 | -39.2 | 0 | 0 | 0 | 110.7 | | |
| 34 | A | 37.5 | Very low | 40.6 | Very low | 88 Ų | 88 | 144 Ų | 144 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | 86.1 | 95.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 35 | R | 32.8 | Very low | 40.9 | Very low | 252 Ų | 252 | 146.9 Ų | 146.9 | 95% | 0.951 | 81% | 0.807 | S | S | * | * | | | trans | -117 | 90.6 | 138.8 | -169.9 | 175.3 | -178.9 | 126.3 | 0.5 | 109.1 | | |
| 36 | M | 40.8 | Very low | 41.1 | Very low | 157 Ų | 157 | 147 Ų | 147 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | | | trans | -72.9 | 145.5 | 158.1 | -84.8 | -87.1 | -167.7 | 0 | 0 | 109.7 | | |
| 37 | E | 40.3 | Very low | 41.5 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | | | trans | 31.7 | 125.9 | 136.2 | -141.5 | 160.6 | 126.5 | 0 | 0 | 119.3 | | |
| 38 | R | 51.3 | Low | 41.8 | Very low | 223 Ų | 223 | 147 Ų | 147 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | | | trans | -55.2 | 135.4 | 161.9 | -74.5 | 175 | 170 | 79.9 | -0.6 | 108.6 | | |
| 39 | D | 38.1 | Very low | 41.9 | Very low | 157 Ų | 157 | 147 Ų | 147 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | | | | -171.3 | 153.3 | 120 | -87.2 | -19.8 | 0 | 0 | 0 | 112.2 | | |
| 40 | N | 48.7 | Very low | 42.2 | Very low | 151 Ų | 151 | 148.4 Ų | 148.4 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | | | trans | -67 | 148.1 | -171.1 | 178.1 | 38.1 | 0 | 0 | 0 | 113.4 | | |
| 41 | V | 40.9 | Very low | 42.9 | Very low | 112 Ų | 112 | 147.6 Ų | 147.6 | 68% | 0.679 | 80% | 0.799 | S | S | * | * | | | trans | 138.6 | 118.8 | 147.9 | 172.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 42 | T | 48 | Very low | 42.5 | Very low | 133 Ų | 133 | 147 Ų | 147 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | | | trans | 30.7 | 98.3 | 152.2 | -47.6 | 0 | 0 | 0 | 0 | 118.2 | | |
| 43 | A | 39.3 | Very low | 43.2 | Very low | 99 Ų | 99 | 147.6 Ų | 147.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -142.4 | 109.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | R45 | A43-R45 PolarHBondContact O-N 3.34Š|
| 44 | S | 46.6 | Very low | 43.5 | Very low | 109 Ų | 109 | 144.7 Ų | 144.7 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | -45 | 129.3 | 162.4 | -47 | 0 | 0 | 0 | 0 | 110.5 | | |
| 45 | R | 43.8 | Very low | 44.2 | Very low | 226 Ų | 226 | 148 Ų | 148 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | trans | 171.6 | 120.7 | 143 | -95.4 | 154.2 | 138.3 | -116.4 | -11.9 | 112.8 | A43 | A43-R45 PolarHBondContact O-N 3.34Š|
| 46 | T | 44.6 | Very low | 44.8 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | 54.1 | 71.6 | 130.7 | -28.4 | 0 | 0 | 0 | 0 | 116.4 | L48 | T46-L48 VanDerWaalsContact C-N 3.35Å; T46-L48 HydrophobicContact CG2-CG 4.43Å; T46-L48 PolarHBondContact O-N 3.32Å; T46-L48 VanDerWaalsContact O-N 3.13Å |
| 47 | T | 41.9 | Very low | 45 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | | | trans | -81.2 | 87.8 | 162.7 | -42.1 | 0 | 0 | 0 | 0 | 108.5 | M49 | T47-M49 PolarHBondContact O-N 3.12Å; T47-M49 VanDerWaalsContact O-N 3.12Å |
| 48 | L | 45.3 | Very low | 45.5 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | | | trans | -60.1 | 110.1 | 155.7 | -70.5 | 167.8 | 0 | 0 | 0 | 106.1 | T46 T50 | T46-L48 VanDerWaalsContact C-N 3.35Å; T46-L48 HydrophobicContact CG2-CG 4.43Å; T46-L48 PolarHBondContact O-N 3.32Å; T46-L48 VanDerWaalsContact O-N 3.13Å; L48-T50 PolarHBondContact O-N 3.3Å |
| 49 | M | 41 | Very low | 45.5 | Very low | 171 Ų | 171 | 135.1 Ų | 135.1 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | | | trans | -66.9 | 97.7 | 178.1 | -167.6 | 176.7 | -179.9 | 0 | 0 | 107.7 | T47 S51 | T47-M49 PolarHBondContact O-N 3.12Å; T47-M49 VanDerWaalsContact O-N 3.12Å; M49-S51 PolarHBondContact O-N 3.49Å |
| 50 | T | 41.8 | Very low | 46.2 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | -62.7 | 99.8 | 168.6 | -62.2 | 0 | 0 | 0 | 0 | 107.9 | L48 T52 | L48-T50 PolarHBondContact O-N 3.3Å; T50-T52 PolarHBondContact O-N 3.48Å |
| 51 | S | 47.9 | Very low | 46.3 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | trans | -63.8 | 102.4 | 169.7 | -49 | 0 | 0 | 0 | 0 | 108.7 | M49 I53 | M49-S51 PolarHBondContact O-N 3.49Å; S51-I53 PolarHBondContact O-N 3.23Å; S51-I53 VanDerWaalsContact O-N 3.13Å |
| 52 | T | 43.7 | Very low | 46.4 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | | | trans | -66.2 | 106.1 | 167.7 | -50.7 | 0 | 0 | 0 | 0 | 108 | T50 T54 | T50-T52 PolarHBondContact O-N 3.48Å; T52-T54 PolarHBondContact O-N 3.19Å |
| 53 | I | 54.2 | Low | 46.7 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | | | trans | -74.9 | 95.1 | 172.3 | -60.5 | 170.2 | 0 | 0 | 0 | 107 | S51 I55 | S51-I53 PolarHBondContact O-N 3.23Å; S51-I53 VanDerWaalsContact O-N 3.13Å; I53-I55 HydrophobicContact CG2-CG1 3.95Å; I53-I55 PolarHBondContact O-N 3.01Å |
| 54 | T | 44.2 | Very low | 47.4 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 64% | 0.638 | 77% | 0.771 | S | S | * | * | | | trans | -80.1 | 97.3 | 170.1 | -41.1 | 0 | 0 | 0 | 0 | 108 | T52 T56 | T52-T54 PolarHBondContact O-N 3.19Å; T54-T56 HydrophobicContact CG2-CG2 4.48Å; T54-T56 PolarHBondContact O-N 3.28Å; T54-T56 VanDerWaalsContact O-N 3.13Å |
| 55 | I | 52.8 | Low | 47.4 | Very low | 156 Ų | 156 | 138.9 Ų | 138.9 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | | | trans | -75.5 | 98.3 | 169.2 | -52 | 174.4 | 0 | 0 | 0 | 106.1 | I53 | I53-I55 HydrophobicContact CG2-CG1 3.95Å; I53-I55 PolarHBondContact O-N 3.01Å |
| 56 | T | 46.4 | Very low | 47.9 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | -110.3 | 116.2 | 174.8 | 4 | 0 | 0 | 0 | 0 | 110.2 | T54 | T54-T56 HydrophobicContact CG2-CG2 4.48Å; T54-T56 PolarHBondContact O-N 3.28Å; T54-T56 VanDerWaalsContact O-N 3.13Å |
| 57 | T | 44 | Very low | 48.1 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | trans | -39.7 | 140.7 | 174.5 | -58.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 58 | T | 51.2 | Low | 48.9 | Very low | 129 Ų | 129 | 138 Ų | 138 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | -33.1 | 123.3 | 164.9 | 51.7 | 0 | 0 | 0 | 0 | 115 | | |
| 59 | N | 50.1 | Low | 49.1 | Very low | 158 Ų | 158 | 136.7 Ų | 136.7 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | | | trans | -150.2 | 127.3 | 146.2 | -159.4 | -28.5 | 0 | 0 | 0 | 109.7 | | |
| 60 | E | 53.8 | Low | 49.4 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 73% | 0.729 | 76% | 0.76 | S | S | * | * | | | trans | -65.9 | 158.5 | -177.4 | -60.9 | -67.1 | 149.2 | 0 | 0 | 112.4 | | |
| 61 | T | 50.5 | Low | 50.2 | Low | 118 Ų | 118 | 134.7 Ų | 134.7 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | | | trans | 82 | 98.8 | 158.8 | -17.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 62 | S | 43.7 | Very low | 50.3 | Low | 116 Ų | 116 | 133.7 Ų | 133.7 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | | | | -171.1 | 135 | 122.2 | 45.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 63 | Y | 54.2 | Low | 51 | Low | 199 Ų | 199 | 134.2 Ų | 134.2 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | | | trans | -68.1 | 146 | -176.1 | -72.5 | -100.6 | 0 | 0 | 0 | 111.2 | | |
| 64 | N | 53.6 | Low | 50.9 | Low | 159 Ų | 159 | 136.5 Ų | 136.5 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | | | trans | 67.9 | 84.5 | 165.1 | -3.4 | -79.6 | 0 | 0 | 0 | 117.4 | | |
| 65 | A | 47.4 | Very low | 51.7 | Low | 92 Ų | 92 | 133.2 Ų | 133.2 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | | | trans | -116.4 | 129 | 145.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | K67 | A65-K67 PolarHBondContact O-N 3.45Š|
| 66 | T | 54.3 | Low | 52.1 | Low | 152 Ų | 152 | 128.6 Ų | 128.6 | 93% | 0.933 | 73% | 0.734 | S | S | * | * | | | trans | -58.4 | 81.1 | 175.4 | 39.2 | 0 | 0 | 0 | 0 | 110.6 | L68 | T66-L68 PolarHBondContact O-N 3.48Š|
| 67 | K | 48.6 | Very low | 53.2 | Low | 157 Ų | 157 | 125.3 Ų | 125.3 | 68% | 0.683 | 73% | 0.725 | S | S | * | * | | | trans | -74.6 | 108.3 | 166.7 | -169.3 | 173.5 | 179.5 | -176.6 | 0 | 105.7 | A65 E70 | A65-K67 PolarHBondContact O-N 3.45Å; K67-E70 WeakPolarHBondContact CE-OE2 3.43Å; K67-E70 IonicContact NZ-OE2 2.58Å; K67-E70 PolarHBondContact NZ-OE2 3.48Å |
| 68 | L | 57.3 | Low | 54.7 | Low | 151 Ų | 151 | 125.6 Ų | 125.6 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | | | trans | -37.3 | 140.7 | 162.2 | -72 | 145.2 | 0 | 0 | 0 | 108.5 | T66 E70 | T66-L68 PolarHBondContact O-N 3.48Å; L68-E70 VanDerWaalsContact C-N 3.28Å; L68-E70 PolarHBondContact O-N 3.3Å |
| 69 | P | 49.6 | Very low | 56.2 | Low | 119 Ų | 119 | 121.2 Ų | 121.2 | 77% | 0.773 | 70% | 0.7 | S | S | * | * | | | trans | -57.7 | 100.8 | -177.6 | 25.7 | -32.3 | 0 | 0 | 0 | 107.5 | V71 | P69-V71 PolarHBondContact O-N 3.46Š|
| 70 | E | 48.9 | Very low | 57.8 | Low | 132 Ų | 132 | 120.8 Ų | 120.8 | 62% | 0.617 | 69% | 0.694 | S | S | * | * | | | trans | -56.7 | 105.5 | 157.8 | 177.1 | 169.3 | 170.6 | 0 | 0 | 102.3 | K67 L68 A72 | K67-E70 WeakPolarHBondContact CE-OE2 3.43Å; K67-E70 IonicContact NZ-OE2 2.58Å; K67-E70 PolarHBondContact NZ-OE2 3.48Å; L68-E70 VanDerWaalsContact C-N 3.28Å; L68-E70 PolarHBondContact O-N 3.3Å; E70-A72 VanDerWaalsContact C-N 3.33Å; E70-A72 PolarHBondContact O-N 3.31Å |
| 71 | V | 57.5 | Low | 59.5 | Low | 119 Ų | 119 | 117.9 Ų | 117.9 | 72% | 0.721 | 69% | 0.687 | S | S | * | * | | | trans | -41.3 | 110.1 | 169.6 | 174 | 0 | 0 | 0 | 0 | 104.4 | P69 L73 | P69-V71 PolarHBondContact O-N 3.46Å; V71-L73 PolarHBondContact O-N 3.47Å |
| 72 | A | 50.9 | Low | 61.4 | Low | 81 Ų | 81 | 117.1 Ų | 117.1 | 67% | 0.669 | 68% | 0.678 | S | S | * | * | | | trans | -57.7 | 91 | -179.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | E70 E74 | E70-A72 VanDerWaalsContact C-N 3.33Å; E70-A72 PolarHBondContact O-N 3.31Å; A72-E74 PolarHBondContact O-N 3.44Å |
| 73 | L | 57.4 | Low | 63.6 | Low | 129 Ų | 129 | 115.9 Ų | 115.9 | 68% | 0.675 | 67% | 0.665 | S | S | * | * | | | trans | -83.4 | 40.3 | 175.7 | -161.2 | 75.5 | 0 | 0 | 0 | 108 | V71 G75 A76 | V71-L73 PolarHBondContact O-N 3.47Å; L73-G75 PolarHBondContact O-N 3.49Å; L73-G75 VanDerWaalsContact O-N 3.1Å; L73-A76 HydrophobicContact CD2-CB 4.04Å; L73-A76 HydrophobicContact CG-CB 4.01Å; L73-A76 PolarHBondContact O-N 2.95Å |
| 74 | E | 52.8 | Low | 65.5 | Low | 194 Ų | 194 | 109.1 Ų | 109.1 | 91% | 0.907 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -3.6 | 168.8 | -67.4 | -158.1 | 137.1 | 0 | 0 | 111.5 | A72 | A72-E74 PolarHBondContact O-N 3.44Š|
| 75 | G | 59.6 | Low | 67.5 | Low | 36 Ų | 36 | 108 Ų | 108 | 37% | 0.371 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.7 | 14.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | L73 G77 M78 G79 | L73-G75 PolarHBondContact O-N 3.49Å; L73-G75 VanDerWaalsContact O-N 3.1Å; G75-G77 PolarHBondContact O-N 3.23Å; G75-M78 PolarHBondContact O-N 2.79Å; G75-G79 PolarHBondContact O-N 2.87Å |
| 76 | A | 61.9 | Low | 69.8 | Low | 59 Ų | 59 | 105.1 Ų | 105.1 | 49% | 0.488 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -54.5 | -29 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L73 | L73-A76 HydrophobicContact CD2-CB 4.04Å; L73-A76 HydrophobicContact CG-CB 4.01Å; L73-A76 PolarHBondContact O-N 2.95Å |
| 77 | G | 69.5 | Low | 71.8 | Confident | 53 Ų | 53 | 102.5 Ų | 102.5 | 55% | 0.546 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -82.9 | -32.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G75 M80 V81 | G75-G77 PolarHBondContact O-N 3.23Å; G77-M80 PolarHBondContact O-N 2.79Å; G77-V81 WeakPolarHBondContact O-CG2 2.73Å |
| 78 | M | 76.3 | Confident | 74.1 | Confident | 129 Ų | 129 | 100.7 Ų | 100.7 | 64% | 0.635 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -77.1 | -33.3 | -170.5 | -146.7 | 159.3 | 65.6 | 0 | 0 | 111.9 | G75 M80 V81 L82 | G75-M78 PolarHBondContact O-N 2.79Å; M78-M80 VanDerWaalsContact C-N 3.3Å; M78-M80 PolarHBondContact O-N 3.03Å; M78-V81 PolarHBondContact O-N 3.39Å; M78-L82 HydrophobicContact CG-CD1 4.41Å; M78-L82 WeakPolarHBondContact O-CB 3.41Å; M78-L82 WeakPolarHBondContact O-CG 2.88Å; M78-L82 PolarHBondContact O-N 2.89Å |
| 79 | G | 81.7 | Confident | 76 | Confident | 37 Ų | 37 | 96.7 Ų | 96.7 | 38% | 0.381 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.2 | -38.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G75 V81 L82 V83 | G75-G79 PolarHBondContact O-N 2.87Å; G79-V81 VanDerWaalsContact C-N 3.3Å; G79-V81 PolarHBondContact O-N 2.82Å; G79-L82 PolarHBondContact O-N 2.87Å; G79-V83 WeakPolarHBondContact O-CG2 3.28Å; G79-V83 PolarHBondContact O-N 2.71Å |
| 80 | M | 85.1 | Confident | 78.3 | Confident | 149 Ų | 149 | 95.8 Ų | 95.8 | 73% | 0.734 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.7 | -24.5 | -178.3 | -63.3 | -64.1 | -78.8 | 0 | 0 | 113.5 | G77 M78 P84 | G77-M80 PolarHBondContact O-N 2.79Å; M78-M80 VanDerWaalsContact C-N 3.3Å; M78-M80 PolarHBondContact O-N 3.03Å; M80-P84 WeakPolarHBondContact O-CD 3.14Å; M80-P84 VanDerWaalsContact O-CG 3.3Å; M80-P84 WeakPolarHBondContact O-CG 3.49Å |
| 81 | V | 88.8 | Confident | 80.6 | Confident | 94 Ų | 94 | 94.2 Ų | 94.2 | 57% | 0.57 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -90.1 | -32.8 | 171.6 | -107.5 | 0 | 0 | 0 | 0 | 112.6 | G77 M78 G79 P84 F85 | G77-V81 WeakPolarHBondContact O-CG2 2.73Å; M78-V81 PolarHBondContact O-N 3.39Å; G79-V81 VanDerWaalsContact C-N 3.3Å; G79-V81 PolarHBondContact O-N 2.82Å; V81-P84 VanDerWaalsContact O-CD 3.32Å; V81-P84 WeakPolarHBondContact O-CD 3.18Å; V81-P84 WeakPolarHBondContact O-CG 3.29Å; V81-F85 VanDerWaalsContact O-CB 3.24Å; V81-F85 WeakPolarHBondContact O-CB 3.06Å; V81-F85 PolarHBondContact O-N 2.98Å |
| 82 | L | 90.3 | Very high | 82.5 | Confident | 102 Ų | 102 | 90 Ų | 90 | 53% | 0.534 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.6 | -33.3 | 177 | -72.9 | 173.1 | 0 | 0 | 0 | 112.8 | M78 G79 G86 | M78-L82 HydrophobicContact CG-CD1 4.41Å; M78-L82 WeakPolarHBondContact O-CB 3.41Å; M78-L82 WeakPolarHBondContact O-CG 2.88Å; M78-L82 PolarHBondContact O-N 2.89Å; G79-L82 PolarHBondContact O-N 2.87Å; L82-G86 WeakPolarHBondContact O-CA 3.26Å; L82-G86 PolarHBondContact O-N 3.49Å |
| 83 | V | 90.6 | Very high | 84.7 | Confident | 90 Ų | 90 | 91.7 Ų | 91.7 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.6 | -56.9 | 176.4 | 169.4 | 0 | 0 | 0 | 0 | 112.2 | G79 F85 G86 I87 | G79-V83 WeakPolarHBondContact O-CG2 3.28Å; G79-V83 PolarHBondContact O-N 2.71Å; V83-F85 VanDerWaalsContact C-N 3.35Å; V83-F85 PolarHBondContact O-N 3.29Å; V83-G86 PolarHBondContact O-N 3.22Å; V83-I87 HydrophobicContact CG1-CD1 3.95Å; V83-I87 WeakPolarHBondContact O-CD1 3.34Å; V83-I87 VanDerWaalsContact O-CG1 3.26Å; V83-I87 WeakPolarHBondContact O-CG1 3.05Å; V83-I87 PolarHBondContact O-N 3.45Å |
| 84 | P | 93.5 | Very high | 86.5 | Confident | 57 Ų | 57 | 88.3 Ų | 88.3 | 37% | 0.37 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 177.7 | 25.4 | -33.5 | 0 | 0 | 0 | 111.8 | M80 V81 G86 I87 I88 | M80-P84 WeakPolarHBondContact O-CD 3.14Å; M80-P84 VanDerWaalsContact O-CG 3.3Å; M80-P84 WeakPolarHBondContact O-CG 3.49Å; V81-P84 VanDerWaalsContact O-CD 3.32Å; V81-P84 WeakPolarHBondContact O-CD 3.18Å; V81-P84 WeakPolarHBondContact O-CG 3.29Å; P84-G86 VanDerWaalsContact C-N 3.34Å; P84-G86 PolarHBondContact O-N 3.29Å; P84-I87 PolarHBondContact O-N 3.25Å; P84-I88 WeakPolarHBondContact O-CB 3.48Å; P84-I88 WeakPolarHBondContact O-CD1 3.45Å; P84-I88 WeakPolarHBondContact O-CG1 3.38Å; P84-I88 PolarHBondContact O-N 3.32Å |
| 85 | F | 95.7 | Very high | 88.6 | Confident | 136 Ų | 136 | 83.5 Ų | 83.5 | 60% | 0.596 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.4 | -41.6 | 177.2 | -172.8 | -98.8 | 0 | 0 | 0 | 112.1 | V81 V83 T89 | V81-F85 VanDerWaalsContact O-CB 3.24Å; V81-F85 WeakPolarHBondContact O-CB 3.06Å; V81-F85 PolarHBondContact O-N 2.98Å; V83-F85 VanDerWaalsContact C-N 3.35Å; V83-F85 PolarHBondContact O-N 3.29Å; F85-T89 VanDerWaalsContact O-CB 3.28Å; F85-T89 WeakPolarHBondContact O-CB 3.28Å; F85-T89 PolarHBondContact O-N 3.39Å; F85-T89 PolarHBondContact O-OG1 3.46Å |
| 86 | G | 95.3 | Very high | 90.4 | Very high | 31 Ų | 31 | 86.4 Ų | 86.4 | 32% | 0.32 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -46 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | L82 V83 P84 T89 V90 | L82-G86 WeakPolarHBondContact O-CA 3.26Å; L82-G86 PolarHBondContact O-N 3.49Å; V83-G86 PolarHBondContact O-N 3.22Å; P84-G86 VanDerWaalsContact C-N 3.34Å; P84-G86 PolarHBondContact O-N 3.29Å; G86-T89 PolarHBondContact O-N 2.75Å; G86-V90 WeakPolarHBondContact O-CB 3.25Å; G86-V90 VanDerWaalsContact O-CG2 3.25Å; G86-V90 WeakPolarHBondContact O-CG2 3.27Å; G86-V90 PolarHBondContact O-N 3.21Å |
| 87 | I | 96.6 | Very high | 92 | Very high | 97 Ų | 97 | 88.9 Ų | 88.9 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 178.1 | -64.4 | 161.8 | 0 | 0 | 0 | 110.7 | V83 P84 T89 V90 I91 | V83-I87 HydrophobicContact CG1-CD1 3.95Å; V83-I87 WeakPolarHBondContact O-CD1 3.34Å; V83-I87 VanDerWaalsContact O-CG1 3.26Å; V83-I87 WeakPolarHBondContact O-CG1 3.05Å; V83-I87 PolarHBondContact O-N 3.45Å; P84-I87 PolarHBondContact O-N 3.25Å; I87-T89 VanDerWaalsContact C-N 3.31Å; I87-T89 PolarHBondContact O-N 3.39Å; I87-V90 PolarHBondContact O-N 3.46Å; I87-I91 HydrophobicContact CG2-CD1 3.75Å; I87-I91 HydrophobicContact CG2-CG1 4.49Å; I87-I91 VanDerWaalsContact O-CG1 3.3Å; I87-I91 WeakPolarHBondContact O-CG1 3.2Å; I87-I91 PolarHBondContact O-N 2.87Å |
| 88 | I | 96.8 | Very high | 93.2 | Very high | 120 Ų | 120 | 89.8 Ų | 89.8 | 62% | 0.615 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.8 | -44 | 177.9 | -67.3 | 164.5 | 0 | 0 | 0 | 110.4 | P84 I91 G92 | P84-I88 WeakPolarHBondContact O-CB 3.48Å; P84-I88 WeakPolarHBondContact O-CD1 3.45Å; P84-I88 WeakPolarHBondContact O-CG1 3.38Å; P84-I88 PolarHBondContact O-N 3.32Å; I88-I91 PolarHBondContact O-N 3.18Å; I88-G92 PolarHBondContact O-N 3.15Å |
| 89 | T | 97 | Very high | 93.9 | Very high | 67 Ų | 67 | 88.7 Ų | 88.7 | 41% | 0.411 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | -179.8 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | F85 G86 I87 G92 L93 | F85-T89 VanDerWaalsContact O-CB 3.28Å; F85-T89 WeakPolarHBondContact O-CB 3.28Å; F85-T89 PolarHBondContact O-N 3.39Å; F85-T89 PolarHBondContact O-OG1 3.46Å; G86-T89 PolarHBondContact O-N 2.75Å; I87-T89 VanDerWaalsContact C-N 3.31Å; I87-T89 PolarHBondContact O-N 3.39Å; T89-G92 PolarHBondContact O-N 3.33Å; T89-L93 VanDerWaalsContact O-CB 3.27Å; T89-L93 WeakPolarHBondContact O-CB 3.38Å; T89-L93 PolarHBondContact O-N 3.44Å |
| 90 | V | 97.6 | Very high | 94.5 | Very high | 100 Ų | 100 | 92.9 Ų | 92.9 | 61% | 0.606 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.7 | -44.2 | 179.6 | 170.6 | 0 | 0 | 0 | 0 | 111 | G86 I87 L93 A94 | G86-V90 WeakPolarHBondContact O-CB 3.25Å; G86-V90 VanDerWaalsContact O-CG2 3.25Å; G86-V90 WeakPolarHBondContact O-CG2 3.27Å; G86-V90 PolarHBondContact O-N 3.21Å; I87-V90 PolarHBondContact O-N 3.46Å; V90-L93 PolarHBondContact O-N 3.41Å; V90-A94 VanDerWaalsContact O-CB 3.3Å; V90-A94 WeakPolarHBondContact O-CB 3.29Å; V90-A94 PolarHBondContact O-N 3.32Å |
| 91 | I | 97.8 | Very high | 94.7 | Very high | 98 Ų | 98 | 89.4 Ų | 89.4 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 176.4 | -66.2 | 169.2 | 0 | 0 | 0 | 110.1 | I87 I88 L93 A94 L95 | I87-I91 HydrophobicContact CG2-CD1 3.75Å; I87-I91 HydrophobicContact CG2-CG1 4.49Å; I87-I91 VanDerWaalsContact O-CG1 3.3Å; I87-I91 WeakPolarHBondContact O-CG1 3.2Å; I87-I91 PolarHBondContact O-N 2.87Å; I88-I91 PolarHBondContact O-N 3.18Å; I91-L93 PolarHBondContact O-N 2.84Å; I91-A94 PolarHBondContact O-N 3Å; I91-L95 HydrophobicContact CG2-CD1 4.22Å; I91-L95 WeakPolarHBondContact O-CG 3.48Å; I91-L95 PolarHBondContact O-N 3.33Å |
| 92 | G | 97.3 | Very high | 94.5 | Very high | 32 Ų | 32 | 92.9 Ų | 92.9 | 33% | 0.33 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.8 | -50.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | I88 T89 A94 L95 V96 | I88-G92 PolarHBondContact O-N 3.15Å; T89-G92 PolarHBondContact O-N 3.33Å; G92-A94 VanDerWaalsContact C-N 3.34Å; G92-A94 PolarHBondContact O-N 3.47Å; G92-L95 PolarHBondContact O-N 3.03Å; G92-V96 VanDerWaalsContact O-CG2 3.29Å; G92-V96 WeakPolarHBondContact O-CG2 3.48Å; G92-V96 PolarHBondContact O-N 3.24Å |
| 93 | L | 96.9 | Very high | 94.1 | Very high | 116 Ų | 116 | 95.2 Ų | 95.2 | 61% | 0.607 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.2 | -40.7 | 179.5 | -173.5 | 64 | 0 | 0 | 0 | 111.9 | T89 V90 I91 V96 M97 | T89-L93 VanDerWaalsContact O-CB 3.27Å; T89-L93 WeakPolarHBondContact O-CB 3.38Å; T89-L93 PolarHBondContact O-N 3.44Å; V90-L93 PolarHBondContact O-N 3.41Å; I91-L93 PolarHBondContact O-N 2.84Å; L93-V96 PolarHBondContact O-N 2.84Å; L93-M97 VanDerWaalsContact O-CB 3.25Å; L93-M97 WeakPolarHBondContact O-CB 3.49Å; L93-M97 PolarHBondContact O-N 3.35Å |
| 94 | A | 96.6 | Very high | 93.7 | Very high | 58 Ų | 58 | 97.1 Ų | 97.1 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V90 I91 G92 M97 M98 | V90-A94 VanDerWaalsContact O-CB 3.3Å; V90-A94 WeakPolarHBondContact O-CB 3.29Å; V90-A94 PolarHBondContact O-N 3.32Å; I91-A94 PolarHBondContact O-N 3Å; G92-A94 VanDerWaalsContact C-N 3.34Å; G92-A94 PolarHBondContact O-N 3.47Å; A94-M97 PolarHBondContact O-N 3.49Å; A94-M98 VanDerWaalsContact O-CB 3.25Å; A94-M98 WeakPolarHBondContact O-CB 3.08Å; A94-M98 PolarHBondContact O-N 3.42Å |
| 95 | L | 96.8 | Very high | 92.7 | Very high | 93 Ų | 93 | 100.8 Ų | 100.8 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.4 | -44.9 | 176.3 | -68 | 178.1 | 0 | 0 | 0 | 111.9 | I91 G92 M98 L99 | I91-L95 HydrophobicContact CG2-CD1 4.22Å; I91-L95 WeakPolarHBondContact O-CG 3.48Å; I91-L95 PolarHBondContact O-N 3.33Å; G92-L95 PolarHBondContact O-N 3.03Å; L95-M98 PolarHBondContact O-N 2.78Å; L95-L99 VanDerWaalsContact O-CB 3.31Å; L95-L99 WeakPolarHBondContact O-CB 3.25Å; L95-L99 PolarHBondContact O-N 2.78Å |
| 96 | V | 96.5 | Very high | 91.4 | Very high | 97 Ų | 97 | 103.7 Ų | 103.7 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59 | -47.9 | 175.7 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | G92 L93 L99 Y100 | G92-V96 VanDerWaalsContact O-CG2 3.29Å; G92-V96 WeakPolarHBondContact O-CG2 3.48Å; G92-V96 PolarHBondContact O-N 3.24Å; L93-V96 PolarHBondContact O-N 2.84Å; V96-L99 PolarHBondContact O-N 3.27Å; V96-Y100 WeakPolarHBondContact O-CB 3.28Å; V96-Y100 PolarHBondContact O-N 3.35Å |
| 97 | M | 95.9 | Very high | 89.8 | Confident | 110 Ų | 110 | 106.7 Ų | 106.7 | 54% | 0.542 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 178.9 | -169.3 | 61.6 | 159.5 | 0 | 0 | 111.7 | L93 A94 Y100 I101 | L93-M97 VanDerWaalsContact O-CB 3.25Å; L93-M97 WeakPolarHBondContact O-CB 3.49Å; L93-M97 PolarHBondContact O-N 3.35Å; A94-M97 PolarHBondContact O-N 3.49Å; M97-Y100 WeakPolarHBondContact O-CB 3.21Å; M97-Y100 PolarHBondContact O-N 3.49Å; M97-Y100 HydrophobicContact SD-CD1 4.41Å; M97-I101 HydrophobicContact CG-CD1 4.2Å; M97-I101 VanDerWaalsContact O-CG1 3.28Å; M97-I101 WeakPolarHBondContact O-CG1 3.3Å; M97-I101 PolarHBondContact O-N 2.86Å |
| 98 | M | 94.7 | Very high | 88.2 | Confident | 73 Ų | 73 | 106.1 Ų | 106.1 | 36% | 0.36 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 176.5 | -171.3 | -168.3 | 75.6 | 0 | 0 | 111.7 | A94 L95 I101 R102 | A94-M98 VanDerWaalsContact O-CB 3.25Å; A94-M98 WeakPolarHBondContact O-CB 3.08Å; A94-M98 PolarHBondContact O-N 3.42Å; L95-M98 PolarHBondContact O-N 2.78Å; M98-I101 PolarHBondContact O-N 3.45Å; M98-R102 WeakPolarHBondContact O-CB 3.38Å; M98-R102 WeakPolarHBondContact O-CG 3.5Å; M98-R102 PolarHBondContact O-N 2.78Å |
| 99 | L | 90.6 | Very high | 86.4 | Confident | 105 Ų | 105 | 108 Ų | 108 | 55% | 0.55 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 176 | -85.7 | 156.4 | 0 | 0 | 0 | 111.5 | L95 V96 R102 K103 | L95-L99 VanDerWaalsContact O-CB 3.31Å; L95-L99 WeakPolarHBondContact O-CB 3.25Å; L95-L99 PolarHBondContact O-N 2.78Å; V96-L99 PolarHBondContact O-N 3.27Å; L99-R102 PolarHBondContact O-N 2.69Å; L99-K103 WeakPolarHBondContact O-CB 3.35Å; L99-K103 PolarHBondContact O-N 2.91Å |
| 100 | Y | 93.5 | Very high | 84.6 | Confident | 125 Ų | 125 | 108.4 Ų | 108.4 | 49% | 0.49 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.9 | -50.7 | 176.5 | 176.2 | -100.6 | 0 | 0 | 0 | 110.5 | V96 M97 R102 K103 R104 | V96-Y100 WeakPolarHBondContact O-CB 3.28Å; V96-Y100 PolarHBondContact O-N 3.35Å; M97-Y100 WeakPolarHBondContact O-CB 3.21Å; M97-Y100 PolarHBondContact O-N 3.49Å; M97-Y100 HydrophobicContact SD-CD1 4.41Å; Y100-R102 PolarHBondContact O-N 2.91Å; Y100-K103 PolarHBondContact O-N 2.81Å; Y100-R104 WeakPolarHBondContact O-CB 3.25Å; Y100-R104 PolarHBondContact O-N 3.05Å; Y100-R104 PolarHBondContact OH-NH1 3.34Å |
| 101 | I | 89.4 | Confident | 83 | Confident | 76 Ų | 76 | 112.4 Ų | 112.4 | 39% | 0.39 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 179 | -61.9 | 162.7 | 0 | 0 | 0 | 110.9 | M97 M98 K105 | M97-I101 HydrophobicContact CG-CD1 4.2Å; M97-I101 VanDerWaalsContact O-CG1 3.28Å; M97-I101 WeakPolarHBondContact O-CG1 3.3Å; M97-I101 PolarHBondContact O-N 2.86Å; M98-I101 PolarHBondContact O-N 3.45Å; I101-K105 HydrophobicContact CG2-CD 4.33Å; I101-K105 VanDerWaalsContact O-CG 3.26Å; I101-K105 WeakPolarHBondContact O-CG 3.31Å; I101-K105 PolarHBondContact O-N 3.37Å |
| 102 | R | 84.5 | Confident | 80.8 | Confident | 167 Ų | 167 | 115.7 Ų | 115.7 | 63% | 0.63 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.5 | -44.5 | 178.8 | -74.9 | -179.3 | -178.2 | 178.9 | 2.7 | 112.8 | M98 L99 Y100 | M98-R102 WeakPolarHBondContact O-CB 3.38Å; M98-R102 WeakPolarHBondContact O-CG 3.5Å; M98-R102 PolarHBondContact O-N 2.78Å; L99-R102 PolarHBondContact O-N 2.69Å; Y100-R102 PolarHBondContact O-N 2.91Å |
| 103 | K | 81.6 | Confident | 78.8 | Confident | 151 Ų | 151 | 121.8 Ų | 121.8 | 66% | 0.657 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -70.4 | -41 | -178.2 | -170.1 | 179.1 | -179 | -173.8 | 0 | 111.1 | L99 Y100 R106 L107 | L99-K103 WeakPolarHBondContact O-CB 3.35Å; L99-K103 PolarHBondContact O-N 2.91Å; Y100-K103 PolarHBondContact O-N 2.81Å; K103-R106 PolarHBondContact O-N 2.85Å; K103-L107 PolarHBondContact O-N 3.3Å |
| 104 | R | 82.4 | Confident | 76.9 | Confident | 131 Ų | 131 | 122.4 Ų | 122.4 | 49% | 0.494 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.1 | -44.7 | 177.9 | -173.9 | -178.4 | 170.7 | 171.9 | 1 | 111.8 | Y100 R106 L107 E108 | Y100-R104 WeakPolarHBondContact O-CB 3.25Å; Y100-R104 PolarHBondContact O-N 3.05Å; Y100-R104 PolarHBondContact OH-NH1 3.34Å; R104-R106 PolarHBondContact O-N 3.41Å; R104-R106 VanDerWaalsContact O-N 3.15Å; R104-L107 PolarHBondContact O-N 3.41Å; R104-E108 WeakPolarHBondContact CG-OE1 3.44Å; R104-E108 IonicContact NE-OE1 3.29Å; R104-E108 PolarHBondContact NE-OE1 2.89Å; R104-E108 WeakPolarHBondContact O-CG 3.19Å; R104-E108 PolarHBondContact O-N 2.92Å |
| 105 | K | 72.9 | Confident | 75.1 | Confident | 134 Ų | 134 | 126.9 Ų | 126.9 | 58% | 0.583 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -58.3 | -27 | 176.8 | -74.7 | 178.5 | 179 | -169.1 | 0 | 114.4 | I101 | I101-K105 HydrophobicContact CG2-CD 4.33Å; I101-K105 VanDerWaalsContact O-CG 3.26Å; I101-K105 WeakPolarHBondContact O-CG 3.31Å; I101-K105 PolarHBondContact O-N 3.37Å |
| 106 | R | 68.1 | Low | 73.6 | Confident | 197 Ų | 197 | 127.2 Ų | 127.2 | 74% | 0.743 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -84.6 | -34.9 | 178.6 | -171.5 | 177.3 | 178.5 | -125.4 | 0.4 | 112.5 | K103 R104 E108 K109 L110 | K103-R106 PolarHBondContact O-N 2.85Å; R104-R106 PolarHBondContact O-N 3.41Å; R104-R106 VanDerWaalsContact O-N 3.15Å; R106-E108 VanDerWaalsContact C-N 3.32Å; R106-K109 PolarHBondContact O-N 3.47Å; R106-L110 WeakPolarHBondContact O-CD1 2.89Å |
| 107 | L | 62.3 | Low | 72.1 | Confident | 94 Ų | 94 | 129.2 Ų | 129.2 | 49% | 0.492 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -70.1 | -29.4 | 179.2 | -68.3 | 171.5 | 0 | 0 | 0 | 112.6 | K103 R104 K109 L110 | K103-L107 PolarHBondContact O-N 3.3Å; R104-L107 PolarHBondContact O-N 3.41Å; L107-K109 VanDerWaalsContact C-N 3.3Å; L107-K109 PolarHBondContact O-N 2.9Å; L107-L110 PolarHBondContact O-N 3.33Å |
| 108 | E | 62.8 | Low | 70.2 | Confident | 85 Ų | 85 | 131.5 Ų | 131.5 | 40% | 0.397 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.9 | -35.8 | 176 | -69.6 | 163.2 | -176.9 | 0 | 0 | 111.6 | R104 R106 L110 R111 | R104-E108 WeakPolarHBondContact CG-OE1 3.44Å; R104-E108 IonicContact NE-OE1 3.29Å; R104-E108 PolarHBondContact NE-OE1 2.89Å; R104-E108 WeakPolarHBondContact O-CG 3.19Å; R104-E108 PolarHBondContact O-N 2.92Å; R106-E108 VanDerWaalsContact C-N 3.32Å; E108-L110 VanDerWaalsContact C-N 3.35Å; E108-L110 PolarHBondContact O-N 3.42Å; E108-R111 PolarHBondContact O-N 3.49Å |
| 109 | K | 59.1 | Low | 68.5 | Low | 159 Ų | 159 | 134.1 Ų | 134.1 | 69% | 0.691 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.5 | -25.9 | 175.9 | -65.9 | -173.6 | 177.8 | -177.7 | 0 | 113.7 | R106 L107 R111 Q113 | R106-K109 PolarHBondContact O-N 3.47Å; L107-K109 VanDerWaalsContact C-N 3.3Å; L107-K109 PolarHBondContact O-N 2.9Å; K109-R111 VanDerWaalsContact C-N 3.25Å; K109-R111 PolarHBondContact O-N 2.98Å; K109-Q113 PolarHBondContact O-N 3Å |
| 110 | L | 58.8 | Low | 66.8 | Low | 75 Ų | 75 | 135.2 Ų | 135.2 | 39% | 0.393 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.6 | -29.2 | 172.4 | -90.5 | 73.8 | 0 | 0 | 0 | 111.2 | R106 L107 E108 H112 Q113 L114 | R106-L110 WeakPolarHBondContact O-CD1 2.89Å; L107-L110 PolarHBondContact O-N 3.33Å; E108-L110 VanDerWaalsContact C-N 3.35Å; E108-L110 PolarHBondContact O-N 3.42Å; L110-H112 PolarHBondContact O-N 3.5Å; L110-Q113 CarbonylContact O-C 3.57Å; L110-Q113 PolarHBondContact O-N 3.22Å; L110-L114 HydrophobicContact CB-CD1 4.25Å; L110-L114 WeakPolarHBondContact O-CB 3.26Å; L110-L114 WeakPolarHBondContact O-CD1 3.2Å; L110-L114 PolarHBondContact O-N 2.87Å |
| 111 | R | 63.6 | Low | 65.6 | Low | 184 Ų | 184 | 133.1 Ų | 133.1 | 69% | 0.694 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -73.6 | -23 | -176.1 | -64.9 | 179.7 | 179.4 | 173.1 | -2.7 | 114.2 | E108 K109 M115 | E108-R111 PolarHBondContact O-N 3.49Å; K109-R111 VanDerWaalsContact C-N 3.25Å; K109-R111 PolarHBondContact O-N 2.98Å; R111-M115 PolarHBondContact O-N 2.71Å |
| 112 | H | 52.8 | Low | 64 | Low | 168 Ų | 168 | 134.3 Ų | 134.3 | 78% | 0.778 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -99.3 | -11.9 | 173.9 | -61 | -22.3 | 0 | 0 | 0 | 113.2 | L110 | L110-H112 PolarHBondContact O-N 3.5Å |
| 113 | Q | 56 | Low | 63 | Low | 160 Ų | 160 | 129.1 Ų | 129.1 | 75% | 0.748 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -83 | -21.9 | 158.1 | -91.7 | 177.2 | 1.4 | 0 | 0 | 112.5 | K109 L110 | K109-Q113 PolarHBondContact O-N 3Å; L110-Q113 CarbonylContact O-C 3.57Å; L110-Q113 PolarHBondContact O-N 3.22Å |
| 114 | L | 56.6 | Low | 61.9 | Low | 129 Ų | 129 | 126.8 Ų | 126.8 | 68% | 0.675 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -89.1 | 0.6 | 173.1 | -101.7 | 90.5 | 0 | 0 | 0 | 114 | L110 P116 | L110-L114 HydrophobicContact CB-CD1 4.25Å; L110-L114 WeakPolarHBondContact O-CB 3.26Å; L110-L114 WeakPolarHBondContact O-CD1 3.2Å; L110-L114 PolarHBondContact O-N 2.87Å; L114-P116 VanDerWaalsContact C-N 3.3Å; L114-P116 WeakPolarHBondContact O-CD 3.32Å |
| 115 | M | 58.7 | Low | 60.7 | Low | 151 Ų | 151 | 125.1 Ų | 125.1 | 74% | 0.744 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -85.2 | 91.2 | 146.4 | -165.8 | 169.1 | 173.7 | 0 | 0 | 103.8 | R111 M117 | R111-M115 PolarHBondContact O-N 2.71Å; M115-M117 VanDerWaalsContact C-N 3.34Å; M115-M117 PolarHBondContact O-N 2.58Å |
| 116 | P | 64.4 | Low | 59.9 | Low | 100 Ų | 100 | 124.9 Ų | 124.9 | 65% | 0.649 | 60% | 0.603 | S | S | * | * | | | trans | -52.3 | 114.6 | 166.2 | 23.2 | -30.8 | 0 | 0 | 0 | 104.1 | L114 Y118 | L114-P116 VanDerWaalsContact C-N 3.3Å; L114-P116 WeakPolarHBondContact O-CD 3.32Å; P116-Y118 PolarHBondContact O-N 2.67Å |
| 117 | M | 65.1 | Low | 59.4 | Low | 140 Ų | 140 | 120.4 Ų | 120.4 | 69% | 0.69 | 59% | 0.593 | S | S | * | * | | | trans | -56.1 | 104.4 | 160 | -161 | -92.6 | -59.3 | 0 | 0 | 101.8 | M115 N119 | M115-M117 VanDerWaalsContact C-N 3.34Å; M115-M117 PolarHBondContact O-N 2.58Å; M117-N119 VanDerWaalsContact C-N 3.33Å; M117-N119 PolarHBondContact O-N 3.25Å |
| 118 | Y | 56.4 | Low | 59.1 | Low | 157 Ų | 157 | 121.3 Ų | 121.3 | 62% | 0.616 | 60% | 0.599 | S | S | * | * | | | trans | -43.2 | 112.8 | 166.2 | -165.2 | -94 | 0 | 0 | 0 | 103.2 | P116 F120 | P116-Y118 PolarHBondContact O-N 2.67Å; Y118-F120 HydrophobicContact CD1-CD2 4.33Å; Y118-F120 HydrophobicContact CD1-CG 4.44Å; Y118-F120 PolarHBondContact O-N 2.65Å |
| 119 | N | 59.8 | Low | 58.8 | Low | 128 Ų | 128 | 122.8 Ų | 122.8 | 68% | 0.684 | 61% | 0.609 | S | S | * | * | | | trans | -66.7 | 95.8 | 176 | -68.6 | -67.6 | 0 | 0 | 0 | 102.3 | M117 D121 | M117-N119 VanDerWaalsContact C-N 3.33Å; M117-N119 PolarHBondContact O-N 3.25Å; N119-D121 PolarHBondContact O-N 3.1Å |
| 120 | F | 55 | Low | 58.5 | Low | 128 Ų | 128 | 120.7 Ų | 120.7 | 56% | 0.561 | 60% | 0.601 | S | S | * | * | | | trans | -60.6 | 90.7 | 161.6 | -99.7 | -69.6 | 0 | 0 | 0 | 104.2 | Y118 P122 E125 | Y118-F120 HydrophobicContact CD1-CD2 4.33Å; Y118-F120 HydrophobicContact CD1-CG 4.44Å; Y118-F120 PolarHBondContact O-N 2.65Å; F120-P122 VanDerWaalsContact O-CD 3.28Å; F120-P122 WeakPolarHBondContact O-CD 2.92Å; F120-E125 VanDerWaalsContact CD1-CD 3.42Å; F120-E125 HydrophobicContact CD1-CG 3.47Å; F120-E125 VanDerWaalsContact CD1-CG 3.47Å; F120-E125 WeakPolarHBondContact CD1-OE1 3.43Å; F120-E125 VanDerWaalsContact CE1-CD 3.43Å; F120-E125 HydrophobicContact CE1-CG 3.46Å; F120-E125 VanDerWaalsContact CE1-CG 3.46Å; F120-E125 WeakPolarHBondContact CE1-OE1 3.45Å; F120-E125 WeakPolarHBondContact CG-OE1 3.24Å |
| 121 | D | 66.6 | Low | 58.4 | Low | 81 Ų | 81 | 123 Ų | 123 | 43% | 0.433 | 61% | 0.61 | S | S | . | * | | | trans | -66.8 | 118.1 | 167.9 | -165.7 | -18 | 0 | 0 | 0 | 104.5 | N119 A123 E124 E125 | N119-D121 PolarHBondContact O-N 3.1Å; D121-A123 PolarHBondContact O-N 3.38Å; D121-A123 WeakPolarHBondContact OD1-CB 3.33Å; D121-A123 PolarHBondContact OD1-N 2.98Å; D121-E124 HydrophobicContact CB-CB 4.24Å; D121-E124 HydrophobicContact CB-CG 4.06Å; D121-E124 PolarHBondContact O-N 3.05Å; D121-E125 PolarHBondContact O-N 2.96Å |
| 122 | P | 57 | Low | 58 | Low | 102 Ų | 102 | 120.1 Ų | 120.1 | 66% | 0.662 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -14.4 | 176.6 | -21.7 | 33.2 | 0 | 0 | 0 | 112.5 | F120 | F120-P122 VanDerWaalsContact O-CD 3.28Å; F120-P122 WeakPolarHBondContact O-CD 2.92Å |
| 123 | A | 62.4 | Low | 58.2 | Low | 57 Ų | 57 | 118.4 Ų | 118.4 | 47% | 0.471 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.5 | -28.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D121 | D121-A123 PolarHBondContact O-N 3.38Å; D121-A123 WeakPolarHBondContact OD1-CB 3.33Å; D121-A123 PolarHBondContact OD1-N 2.98Å |
| 124 | E | 60.1 | Low | 58.1 | Low | 102 Ų | 102 | 116.5 Ų | 116.5 | 48% | 0.477 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -79.9 | -32.1 | 179.6 | -75.7 | -168.7 | -178.4 | 0 | 0 | 112.9 | D121 Q126 D128 | D121-E124 HydrophobicContact CB-CB 4.24Å; D121-E124 HydrophobicContact CB-CG 4.06Å; D121-E124 PolarHBondContact O-N 3.05Å; E124-Q126 VanDerWaalsContact C-N 3.3Å; E124-Q126 PolarHBondContact O-N 3.36Å; E124-D128 PolarHBondContact O-N 3.42Å |
| 125 | E | 57.1 | Low | 58 | Low | 96 Ų | 96 | 115.3 Ų | 115.3 | 45% | 0.449 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -73.3 | -20.8 | 173 | -73.1 | -175.1 | -131.9 | 0 | 0 | 113.5 | F120 D121 L129 | F120-E125 VanDerWaalsContact CD1-CD 3.42Å; F120-E125 HydrophobicContact CD1-CG 3.47Å; F120-E125 VanDerWaalsContact CD1-CG 3.47Å; F120-E125 WeakPolarHBondContact CD1-OE1 3.43Å; F120-E125 VanDerWaalsContact CE1-CD 3.43Å; F120-E125 HydrophobicContact CE1-CG 3.46Å; F120-E125 VanDerWaalsContact CE1-CG 3.46Å; F120-E125 WeakPolarHBondContact CE1-OE1 3.45Å; F120-E125 WeakPolarHBondContact CG-OE1 3.24Å; D121-E125 PolarHBondContact O-N 2.96Å; E125-L129 WeakPolarHBondContact O-CB 3.19Å; E125-L129 PolarHBondContact O-N 3.31Å |
| 126 | Q | 55.3 | Low | 57.8 | Low | 130 Ų | 130 | 114.5 Ų | 114.5 | 61% | 0.607 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -73.3 | -43.9 | 179.3 | -154 | 114.9 | 44.7 | 0 | 0 | 110.2 | E124 L129 E130 | E124-Q126 VanDerWaalsContact C-N 3.3Å; E124-Q126 PolarHBondContact O-N 3.36Å; Q126-L129 PolarHBondContact O-N 2.96Å; Q126-E130 VanDerWaalsContact O-CG 3.29Å; Q126-E130 WeakPolarHBondContact O-CG 3.3Å; Q126-E130 PolarHBondContact O-N 3.36Å |
| 127 | D | 56.6 | Low | 57.4 | Low | 102 Ų | 102 | 116.1 Ų | 116.1 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69 | -33.4 | 179.1 | -82.4 | -22.1 | 0 | 0 | 0 | 113 | E130 Q131 | D127-E130 PolarHBondContact O-N 3.19Å; D127-Q131 PolarHBondContact O-N 3.32Å |
| 128 | D | 57.4 | Low | 56.9 | Low | 113 Ų | 113 | 119.7 Ų | 119.7 | 60% | 0.604 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -73.2 | -33.5 | 176.7 | -78.4 | -22 | 0 | 0 | 0 | 112.6 | E124 E130 E132 | E124-D128 PolarHBondContact O-N 3.42Å; D128-E130 VanDerWaalsContact C-N 3.3Å; D128-E130 PolarHBondContact O-N 3.37Å; D128-E132 PolarHBondContact O-N 3.06Å |
| 129 | L | 55.2 | Low | 56.8 | Low | 117 Ų | 117 | 118.9 Ų | 118.9 | 61% | 0.613 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.8 | -26.9 | 174.5 | -118.7 | 70 | 0 | 0 | 0 | 112.8 | E125 Q126 | E125-L129 WeakPolarHBondContact O-CB 3.19Å; E125-L129 PolarHBondContact O-N 3.31Å; Q126-L129 PolarHBondContact O-N 2.96Å |
| 130 | E | 54.3 | Low | 56.4 | Low | 115 Ų | 115 | 115.6 Ų | 115.6 | 54% | 0.537 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -75.9 | -32.4 | 178.6 | -70.4 | -178.9 | -148.4 | 0 | 0 | 112.3 | Q126 D127 D128 | Q126-E130 VanDerWaalsContact O-CG 3.29Å; Q126-E130 WeakPolarHBondContact O-CG 3.3Å; Q126-E130 PolarHBondContact O-N 3.36Å; D127-E130 PolarHBondContact O-N 3.19Å; D128-E130 VanDerWaalsContact C-N 3.3Å; D128-E130 PolarHBondContact O-N 3.37Å |
| 131 | Q | 55.3 | Low | 56.3 | Low | 124 Ų | 124 | 116.1 Ų | 116.1 | 58% | 0.579 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -79.1 | -38.1 | 177.2 | -79.9 | 175 | 37.5 | 0 | 0 | 112.9 | D127 L133 L134 D135 | D127-Q131 PolarHBondContact O-N 3.32Å; Q131-L133 PolarHBondContact O-N 3.47Å; Q131-L134 PolarHBondContact O-N 2.93Å; Q131-D135 PolarHBondContact O-N 3.12Å |
| 132 | E | 56.2 | Low | 55.7 | Low | 122 Ų | 122 | 118.6 Ų | 118.6 | 57% | 0.57 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.2 | -30.1 | 178.2 | -162.8 | 174.9 | -167.4 | 0 | 0 | 112.3 | D128 H136 | D128-E132 PolarHBondContact O-N 3.06Å; E132-H136 WeakPolarHBondContact O-CB 3.3Å; E132-H136 PolarHBondContact O-N 3.06Å; E132-H136 VanDerWaalsContact O-N 3.12Å; E132-H136 PolarHBondContact O-ND1 3.13Å |
| 133 | L | 56.5 | Low | 55.3 | Low | 132 Ų | 132 | 120.7 Ų | 120.7 | 69% | 0.691 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -77.8 | -31.3 | 178.2 | -137.9 | 157.6 | 0 | 0 | 0 | 113 | Q131 N137 | Q131-L133 PolarHBondContact O-N 3.47Å; L133-N137 PolarHBondContact O-N 3.43Å |
| 134 | L | 53 | Low | 54.5 | Low | 121 Ų | 121 | 121.4 Ų | 121.4 | 63% | 0.634 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -77.8 | -33 | 174.7 | -76.1 | 172.1 | 0 | 0 | 0 | 112.5 | Q131 | Q131-L134 PolarHBondContact O-N 2.93Å |
| 135 | D | 54.9 | Low | 53.9 | Low | 103 Ų | 103 | 121.3 Ų | 121.3 | 55% | 0.551 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -74.1 | -39.5 | 176.4 | -72.7 | -18.7 | 0 | 0 | 0 | 111.6 | Q131 N137 R138 | Q131-D135 PolarHBondContact O-N 3.12Å; D135-N137 VanDerWaalsContact C-N 3.29Å; D135-N137 PolarHBondContact O-N 3.13Å; D135-R138 PolarHBondContact O-N 3Å |
| 136 | H | 54.3 | Low | 53.5 | Low | 135 Ų | 135 | 123 Ų | 123 | 63% | 0.625 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -68 | -21.2 | 175 | -92.5 | 74.2 | 0 | 0 | 0 | 114.7 | E132 G140 | E132-H136 WeakPolarHBondContact O-CB 3.3Å; E132-H136 PolarHBondContact O-N 3.06Å; E132-H136 VanDerWaalsContact O-N 3.12Å; E132-H136 PolarHBondContact O-ND1 3.13Å; H136-G140 PolarHBondContact O-N 3.02Å |
| 137 | N | 56.1 | Low | 53.1 | Low | 133 Ų | 133 | 123.9 Ų | 123.9 | 71% | 0.711 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -78.6 | -26.1 | -178.9 | -167.9 | -96.3 | 0 | 0 | 0 | 113.3 | L133 D135 | L133-N137 PolarHBondContact O-N 3.43Å; D135-N137 VanDerWaalsContact C-N 3.29Å; D135-N137 PolarHBondContact O-N 3.13Å |
| 138 | R | 56.3 | Low | 52.7 | Low | 215 Ų | 215 | 128.7 Ų | 128.7 | 81% | 0.811 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -87.4 | -21.6 | -178.6 | -63.8 | 178.7 | 85.6 | 154.4 | 2 | 112.8 | D135 | D135-R138 PolarHBondContact O-N 3Å |
| 139 | D | 52.9 | Low | 51.9 | Low | 141 Ų | 141 | 130 Ų | 130 | 75% | 0.754 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -108.8 | -10.2 | -173.4 | -57.8 | -11.1 | 0 | 0 | 0 | 113.3 | | |
| 140 | G | 51 | Low | 51.7 | Low | 59 Ų | 59 | 132 Ų | 132 | 61% | 0.608 | 71% | 0.711 | S | S | * | * | | | trans | -98.5 | 37.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | H136 L142 | H136-G140 PolarHBondContact O-N 3.02Å; G140-L142 PolarHBondContact O-N 2.95Å |
| 141 | N | 53.5 | Low | 51.6 | Low | 138 Ų | 138 | 132.5 Ų | 132.5 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | | | trans | -68.5 | 114.7 | 162.4 | -176.4 | 28.9 | 0 | 0 | 0 | 107.8 | | |
| 142 | L | 53.8 | Low | 51.1 | Low | 133 Ų | 133 | 132.1 Ų | 132.1 | 70% | 0.696 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 105.3 | 115.3 | 168.2 | -50.9 | 165.1 | 0 | 0 | 0 | 115.2 | G140 | G140-L142 PolarHBondContact O-N 2.95Š|
| 143 | T | 49.4 | Very low | 50.6 | Low | 147 Ų | 147 | 131 Ų | 131 | 90% | 0.902 | 73% | 0.733 | S | S | * | * | | | trans | 80.6 | 122.1 | 162.9 | 85.8 | 0 | 0 | 0 | 0 | 115 | | |
| 144 | G | 44.9 | Very low | 50.2 | Low | 71 Ų | 71 | 134.3 Ų | 134.3 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | | | cis | -179.1 | 146.8 | -3.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 145 | S | 48.2 | Very low | 49.7 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | | | trans | 70.7 | 101.7 | 142.8 | -114.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 146 | N | 47.6 | Very low | 49.2 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | | 103.8 | 113.6 | 125.4 | -41.9 | -38.3 | 0 | 0 | 0 | 119.7 | | |
| 147 | N | 47 | Very low | 49.1 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | 58.2 | 99 | 136.5 | 70 | -4.7 | 0 | 0 | 0 | 123.4 | | |
| 148 | K | 49.7 | Very low | 48.4 | Very low | 203 Ų | 203 | 136.4 Ų | 136.4 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | | 23.6 | 124.9 | 126.7 | -78.2 | -176.2 | 169.9 | -169.3 | 0 | 118.6 | | |
| 149 | T | 40 | Very low | 47.8 | Very low | 140 Ų | 140 | 137 Ų | 137 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | | | | -167.9 | 131.7 | 109 | -70.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 150 | L | 51.8 | Low | 47.7 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | trans | -115.3 | 124.3 | -175.2 | 175.1 | 78.6 | 0 | 0 | 0 | 108.3 | | |
| 151 | T | 51.1 | Low | 47.7 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | | | trans | -154.8 | 93.5 | 157.7 | 56.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 152 | T | 45.9 | Very low | 47.6 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 71% | 0.712 | 80% | 0.797 | S | S | * | * | | | | 56.3 | 111.9 | 82.5 | -147.4 | 0 | 0 | 0 | 0 | 116.6 | | |
| 153 | S | 45.1 | Very low | 47.4 | Very low | 99 Ų | 99 | 142.7 Ų | 142.7 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | | | trans | 54.5 | 105.8 | 137.3 | 67.7 | 0 | 0 | 0 | 0 | 121.6 | | |
| 154 | Q | 47.3 | Very low | 47.9 | Very low | 201 Ų | 201 | 141.5 Ų | 141.5 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | | | trans | -149.7 | 125.7 | 130.7 | -85.7 | -167.1 | 3.7 | 0 | 0 | 106 | | |
| 155 | G | 43 | Very low | 48.4 | Very low | 62 Ų | 62 | 145.1 Ų | 145.1 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | | | cis | 111.7 | 91.8 | 27.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 156 | T | 44.6 | Very low | 48.9 | Very low | 133 Ų | 133 | 146.8 Ų | 146.8 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | | | trans | 49.5 | 121.1 | 147.7 | 63.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 157 | T | 51.2 | Low | 49.5 | Very low | 144 Ų | 144 | 146.9 Ų | 146.9 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | | | trans | 34.6 | 99.3 | 141 | -43.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 158 | Q | 42.3 | Very low | 50.2 | Low | 197 Ų | 197 | 145.5 Ų | 145.5 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | | | trans | -140 | 115.7 | 155.5 | -161.9 | 165.8 | -13.2 | 0 | 0 | 113.4 | | |
| 159 | R | 43.5 | Very low | 50.6 | Low | 227 Ų | 227 | 140.4 Ų | 140.4 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | | | trans | -59.4 | 169.6 | 171.9 | -106.9 | -174.5 | 174.4 | -117.3 | 2.4 | 112.7 | | |
| 160 | P | 51.7 | Low | 51.4 | Low | 114 Ų | 114 | 140.5 Ų | 140.5 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | | | trans | -82.5 | 142 | -143.1 | 35.4 | -35.7 | 0 | 0 | 0 | 114.2 | | |
| 161 | S | 50.1 | Low | 51.8 | Low | 114 Ų | 114 | 139.1 Ų | 139.1 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -116.3 | 104.6 | 157.2 | 27.5 | 0 | 0 | 0 | 0 | 107.7 | L163 | S161-L163 PolarHBondContact O-N 3.13Š|
| 162 | R | 51.6 | Low | 52.1 | Low | 228 Ų | 228 | 141.4 Ų | 141.4 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | -42.1 | 111.3 | 162.2 | -79.1 | 169.1 | 72.9 | 160.4 | 1.3 | 107.4 | V164 | R162-V164 PolarHBondContact O-N 3.28Š|
| 163 | L | 50.3 | Low | 52.6 | Low | 136 Ų | 136 | 143.1 Ų | 143.1 | 71% | 0.712 | 79% | 0.789 | S | S | * | * | | | trans | -65.7 | 110.1 | 172.5 | -156 | 70.6 | 0 | 0 | 0 | 106.7 | S161 F165 | S161-L163 PolarHBondContact O-N 3.13Å; L163-F165 HydrophobicContact CB-CD2 4.44Å; L163-F165 HydrophobicContact CD1-CD2 4.22Å; L163-F165 HydrophobicContact CD1-CE2 3.8Å; L163-F165 HydrophobicContact CD2-CD2 3.53Å; L163-F165 HydrophobicContact CD2-CE2 3.75Å; L163-F165 HydrophobicContact CG-CD2 3.38Å; L163-F165 HydrophobicContact CG-CE2 3.5Å; L163-F165 VanDerWaalsContact CG-CE2 3.5Å; L163-F165 HydrophobicContact CG-CG 4.49Å; L163-F165 PolarHBondContact O-N 3.38Å |
| 164 | V | 59.5 | Low | 52.6 | Low | 122 Ų | 122 | 146.7 Ų | 146.7 | 74% | 0.739 | 83% | 0.825 | S | S | * | * | | | trans | -71.3 | 48.1 | -173.9 | -77.6 | 0 | 0 | 0 | 0 | 112.6 | R162 | R162-V164 PolarHBondContact O-N 3.28Š|
| 165 | F | 56 | Low | 52.9 | Low | 146 Ų | 146 | 144 Ų | 144 | 64% | 0.64 | 82% | 0.819 | S | S | * | * | | | trans | -118.4 | 32.8 | 179.3 | -59.1 | -53.6 | 0 | 0 | 0 | 113.1 | L163 D167 | L163-F165 HydrophobicContact CB-CD2 4.44Å; L163-F165 HydrophobicContact CD1-CD2 4.22Å; L163-F165 HydrophobicContact CD1-CE2 3.8Å; L163-F165 HydrophobicContact CD2-CD2 3.53Å; L163-F165 HydrophobicContact CD2-CE2 3.75Å; L163-F165 HydrophobicContact CG-CD2 3.38Å; L163-F165 HydrophobicContact CG-CE2 3.5Å; L163-F165 VanDerWaalsContact CG-CE2 3.5Å; L163-F165 HydrophobicContact CG-CG 4.49Å; L163-F165 PolarHBondContact O-N 3.38Å; F165-D167 VanDerWaalsContact C-N 3.27Å |
| 166 | T | 58 | Low | 53.4 | Low | 136 Ų | 136 | 148.3 Ų | 148.3 | 83% | 0.834 | 83% | 0.829 | S | S | * | * | | | trans | -96.4 | 26.2 | 165.4 | 66.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 167 | D | 60.4 | Low | 53.9 | Low | 134 Ų | 134 | 149.2 Ų | 149.2 | 72% | 0.717 | 83% | 0.829 | S | S | * | * | | | trans | -131 | 70 | 172.8 | -161.7 | 13.4 | 0 | 0 | 0 | 110.8 | F165 | F165-D167 VanDerWaalsContact C-N 3.27Š|
| 168 | V | 60.9 | Low | 54.1 | Low | 120 Ų | 120 | 149.5 Ų | 149.5 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -143.7 | -3.5 | 160.4 | -144.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 169 | A | 57.5 | Low | 54.8 | Low | 96 Ų | 96 | 146.5 Ų | 146.5 | 79% | 0.793 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -95.1 | -0.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 170 | N | 57.8 | Low | 55.6 | Low | 142 Ų | 142 | 141.1 Ų | 141.1 | 76% | 0.759 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -107.9 | 11.2 | -173.3 | -138.1 | 28.5 | 0 | 0 | 0 | 115.6 | | |
| 171 | V | 60.4 | Low | 55.8 | Low | 131 Ų | 131 | 143.1 Ų | 143.1 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -92.7 | -4.2 | 177.6 | -177.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 172 | L | 57.2 | Low | 56.3 | Low | 171 Ų | 171 | 145.3 Ų | 145.3 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -104.4 | 15.9 | -174.7 | -130.8 | 91.5 | 0 | 0 | 0 | 115.8 | | |
| 173 | N | 55.7 | Low | 56.7 | Low | 153 Ų | 153 | 138.4 Ų | 138.4 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | | | trans | -143.5 | 60.4 | 175.8 | -162.1 | 76.8 | 0 | 0 | 0 | 112.9 | | |
| 174 | A | 46.6 | Very low | 57.3 | Low | 174 Ų | 174 | 138.6 Ų | 138.6 | 100% | 1.438 | 83% | 0.832 | S | S | * | * | | | trans | -122.3 | 0 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109 | | |