| 1 | M | 51.2 | Low | 63 | Low | 237 Ų | 237 | 151.8 Ų | 151.8 | 100% | 1.167 | 85% | 0.846 | S | S | * | * | | | | 0 | 90.5 | 0 | -60.2 | 179.4 | 98.8 | 0 | 0 | 105.5 | | |
| 2 | S | 46.3 | Very low | 62.7 | Low | 115 Ų | 115 | 147.9 Ų | 147.9 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | | | | 59.8 | 99.5 | 94.5 | -66.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 3 | S | 66.3 | Low | 62 | Low | 122 Ų | 122 | 147.3 Ų | 147.3 | 85% | 0.853 | 84% | 0.838 | S | S | * | * | | | | -175.3 | 114.5 | 125 | -84.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 4 | P | 69.3 | Low | 61.6 | Low | 116 Ų | 116 | 142.5 Ų | 142.5 | 75% | 0.753 | 84% | 0.837 | S | S | * | * | | | trans | -110.3 | -174.2 | 157.7 | 45.8 | -34.5 | 0 | 0 | 0 | 108.7 | | |
| 5 | P | 64 | Low | 61.1 | Low | 122 Ų | 122 | 143.9 Ų | 143.9 | 79% | 0.792 | 84% | 0.84 | S | S | * | * | | | | -106.9 | 171 | -119 | 18.4 | 6.3 | 0 | 0 | 0 | 112.9 | | |
| 6 | S | 72.3 | Confident | 61 | Low | 122 Ų | 122 | 146.8 Ų | 146.8 | 85% | 0.853 | 84% | 0.843 | S | S | * | * | | | trans | -122.4 | 110.9 | 173 | -46.8 | 0 | 0 | 0 | 0 | 110 | | |
| 7 | E | 65 | Low | 60.6 | Low | 184 Ų | 184 | 150.2 Ų | 150.2 | 86% | 0.86 | 85% | 0.846 | S | S | * | * | | | trans | -74 | 135.1 | 166 | -65.6 | 178 | 124.6 | 0 | 0 | 109.6 | | |
| 8 | D | 70.3 | Confident | 59.8 | Low | 156 Ų | 156 | 147.8 Ų | 147.8 | 83% | 0.834 | 84% | 0.84 | S | S | * | * | | | trans | -135.4 | 90.1 | 160.3 | -105.8 | -36 | 0 | 0 | 0 | 110.5 | | |
| 9 | S | 62.4 | Low | 59.5 | Low | 88 Ų | 88 | 150.1 Ų | 150.1 | 62% | 0.615 | 84% | 0.843 | S | S | * | * | | | | 40.2 | 110.3 | 119.3 | -47.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 10 | K | 63.4 | Low | 59.3 | Low | 204 Ų | 204 | 151.6 Ų | 151.6 | 89% | 0.887 | 84% | 0.84 | S | S | * | * | | | | 60.9 | 113.3 | 128.9 | -59.6 | -179.4 | -178.4 | 179.7 | 0 | 119.7 | | |
| 11 | K | 62.6 | Low | 58.7 | Low | 204 Ų | 204 | 152.3 Ų | 152.3 | 89% | 0.887 | 84% | 0.837 | S | S | * | * | | | | -166.8 | 104 | 129.2 | -155.1 | 155.9 | 178.4 | -171 | 0 | 109.9 | | |
| 12 | S | 59.9 | Low | 58.6 | Low | 105 Ų | 105 | 146.7 Ų | 146.7 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | | | | 80.5 | 113.3 | 100.3 | -162.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 13 | T | 53.1 | Low | 58.7 | Low | 140 Ų | 140 | 149.9 Ų | 149.9 | 86% | 0.859 | 82% | 0.824 | S | S | * | * | | | trans | -54.3 | 132.6 | 172.5 | 48.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 14 | G | 56.5 | Low | 57.8 | Low | 80 Ų | 80 | 148.5 Ų | 148.5 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | | | trans | -145 | 118.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 15 | N | 54.7 | Low | 56.6 | Low | 163 Ų | 163 | 148.4 Ų | 148.4 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | | | trans | -128.4 | 87.5 | -162.8 | -162.1 | 42 | 0 | 0 | 0 | 108.1 | | |
| 16 | E | 59.3 | Low | 55.9 | Low | 190 Ų | 190 | 147.6 Ų | 147.6 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | | | trans | -149.3 | 91 | 169.8 | -66.6 | -170.6 | 160.4 | 0 | 0 | 106.7 | | |
| 17 | K | 53.8 | Low | 54.9 | Low | 205 Ų | 205 | 147.4 Ų | 147.4 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | | | | 60.3 | 117.5 | 90.7 | -158.3 | 176.7 | -173.9 | -179.3 | 0 | 113.8 | | |
| 18 | S | 47 | Very low | 54.4 | Low | 107 Ų | 107 | 142.1 Ų | 142.1 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | | | trans | 88.3 | 75.8 | 146.4 | 173.7 | 0 | 0 | 0 | 0 | 119.1 | | |
| 19 | E | 52.9 | Low | 53.4 | Low | 192 Ų | 192 | 144.4 Ų | 144.4 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | | | trans | -130.8 | 93.2 | 143.5 | -67.6 | -175.3 | 165.4 | 0 | 0 | 105.7 | | |
| 20 | K | 56.5 | Low | 53 | Low | 180 Ų | 180 | 149 Ų | 149 | 78% | 0.783 | 83% | 0.83 | S | S | * | * | | | | 63.7 | 111.8 | 91.2 | -149.2 | -179.6 | -175.3 | -174.7 | 0 | 112.7 | | |
| 21 | E | 46.9 | Very low | 52 | Low | 167 Ų | 167 | 144.9 Ų | 144.9 | 78% | 0.78 | 83% | 0.826 | S | S | * | * | | | trans | 64.7 | 74.4 | 161.9 | -75.4 | 166.6 | 133.3 | 0 | 0 | 117.1 | E23 | E21-E23 PolarHBondContact O-N 3.06Š|
| 22 | S | 48.8 | Very low | 51.4 | Low | 119 Ų | 119 | 141 Ų | 141 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | | | trans | -81.3 | 92.5 | 161.2 | -151.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 23 | E | 48.8 | Very low | 50.9 | Low | 182 Ų | 182 | 139.6 Ų | 139.6 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | | | trans | -64.1 | 147.3 | 146 | -69.6 | -174.8 | 157 | 0 | 0 | 108.2 | E21 | E21-E23 PolarHBondContact O-N 3.06Š|
| 24 | A | 46.8 | Very low | 50.6 | Low | 92 Ų | 92 | 137.9 Ų | 137.9 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | | | trans | 72.4 | 103.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 25 | S | 44.1 | Very low | 50.4 | Low | 115 Ų | 115 | 142.9 Ų | 142.9 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | | | trans | 151.2 | 109.4 | 133.7 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 26 | S | 48.5 | Very low | 50.3 | Low | 105 Ų | 105 | 144.3 Ų | 144.3 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | | | trans | -179.4 | 78.2 | 136.7 | -84.5 | 0 | 0 | 0 | 0 | 110.3 | A28 | S26-A28 PolarHBondContact O-N 3.39Š|
| 27 | A | 50.8 | Low | 49.7 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 98% | 0.975 | 82% | 0.818 | S | S | * | * | | | trans | -74.6 | 58.4 | 154.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 28 | A | 54.7 | Low | 49.4 | Very low | 72 Ų | 72 | 136.2 Ų | 136.2 | 60% | 0.595 | 81% | 0.814 | S | S | * | * | | | trans | -144.2 | 61 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S26 | S26-A28 PolarHBondContact O-N 3.39Š|
| 29 | E | 51 | Low | 49.5 | Very low | 204 Ų | 204 | 135.7 Ų | 135.7 | 95% | 0.953 | 82% | 0.815 | S | S | * | * | | | trans | -118.4 | 66.4 | 159.3 | -66.8 | -164.1 | 136.2 | 0 | 0 | 109 | | |
| 30 | Q | 53 | Low | 49.2 | Very low | 186 Ų | 186 | 131.4 Ų | 131.4 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | | | trans | -97.2 | 131 | 162.4 | -77.4 | -143.7 | -71.1 | 0 | 0 | 110.1 | | |
| 31 | S | 42.3 | Very low | 49 | Very low | 117 Ų | 117 | 131 Ų | 131 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | trans | 67.7 | 102.1 | 142.1 | -171.6 | 0 | 0 | 0 | 0 | 118.2 | | |
| 32 | S | 49.5 | Very low | 49.4 | Very low | 121 Ų | 121 | 131 Ų | 131 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | | | trans | -157.8 | 138.9 | 141.2 | -147 | 0 | 0 | 0 | 0 | 113.6 | | |
| 33 | A | 49.1 | Very low | 49.1 | Very low | 76 Ų | 76 | 131.3 Ų | 131.3 | 63% | 0.628 | 82% | 0.816 | S | S | * | * | | | trans | 75.3 | 85.2 | 155.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | E35 | A33-E35 HydrophobicContact CB-CG 4.39Å; A33-E35 PolarHBondContact O-N 2.89Å |
| 34 | A | 48.5 | Very low | 49.1 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | | | trans | -63.1 | 104.6 | 142.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 35 | E | 52.5 | Low | 49.2 | Very low | 185 Ų | 185 | 128.9 Ų | 128.9 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | | | trans | -103.8 | 95.6 | 164.7 | -69.9 | -167 | 128.8 | 0 | 0 | 108.9 | A33 | A33-E35 HydrophobicContact CB-CG 4.39Å; A33-E35 PolarHBondContact O-N 2.89Å |
| 36 | Q | 51.1 | Low | 49.6 | Very low | 192 Ų | 192 | 127.2 Ų | 127.2 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | | | trans | -77.2 | 122.2 | 156.2 | -67.5 | -132.8 | -59 | 0 | 0 | 108.4 | | |
| 37 | S | 46.6 | Very low | 49.6 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | | | trans | -175.7 | 143.6 | 139 | -155.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 38 | S | 48.9 | Very low | 49.6 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | | | trans | 69.3 | 99.2 | 155.9 | -75.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 39 | A | 48.7 | Very low | 49.2 | Very low | 95 Ų | 95 | 136.4 Ų | 136.4 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | | | | 172.7 | 88.2 | 103.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | E41 | A39-E41 PolarHBondContact O-N 2.94Š|
| 40 | A | 47.1 | Very low | 49.1 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | | | trans | -76.7 | 106.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 41 | E | 51.9 | Low | 48.8 | Very low | 171 Ų | 171 | 128 Ų | 128 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | | | trans | -165.9 | 130 | 164.4 | -113.3 | 162 | -176.4 | 0 | 0 | 112 | A39 | A39-E41 PolarHBondContact O-N 2.94Š|
| 42 | Q | 55.1 | Low | 49 | Very low | 169 Ų | 169 | 127.3 Ų | 127.3 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | | | trans | 76.4 | 82.6 | 162.3 | -44.8 | -81.4 | -60.4 | 0 | 0 | 115.4 | | |
| 43 | S | 43.4 | Very low | 49 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | | | | 38 | 72.1 | 72 | -168.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 44 | S | 47.6 | Very low | 49 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 84% | 0.839 | 83% | 0.831 | S | S | * | * | | | trans | -159.6 | 84 | 157.6 | -155.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 45 | A | 49.6 | Very low | 49 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | | | trans | -158.5 | 71.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 46 | A | 51.1 | Low | 48.6 | Very low | 80 Ų | 80 | 131.1 Ų | 131.1 | 66% | 0.661 | 82% | 0.82 | S | S | * | * | | | trans | -53.2 | 136.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 47 | E | 49.2 | Very low | 48.2 | Very low | 172 Ų | 172 | 132.1 Ų | 132.1 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | | | trans | 65 | 73.9 | 139.5 | -58.7 | -179.6 | 129.1 | 0 | 0 | 118.5 | | |
| 48 | Q | 51.6 | Low | 48.2 | Very low | 194 Ų | 194 | 131.9 Ų | 131.9 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | | | trans | -132.1 | 62.3 | 148.8 | -69.5 | -77.6 | -78.4 | 0 | 0 | 109.7 | | |
| 49 | S | 44.8 | Very low | 48.1 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | | | trans | -117.9 | 64.9 | 168.1 | 176.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 50 | S | 48.9 | Very low | 48.2 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | | | trans | -156.7 | 48.7 | 171.5 | 67 | 0 | 0 | 0 | 0 | 114.1 | | |
| 51 | A | 47 | Very low | 48.3 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -139.2 | 7.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 52 | A | 46.9 | Very low | 48.4 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | | | trans | -117.3 | 25.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 53 | R | 49.7 | Very low | 48.3 | Very low | 247 Ų | 247 | 135.8 Ų | 135.8 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | | | trans | -96.7 | 72 | 162.5 | -89 | -177.6 | 165.2 | 176.3 | -3.5 | 109.1 | | |
| 54 | S | 49.5 | Very low | 49 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | | | trans | -147.8 | 48.9 | 169.6 | -70.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 55 | A | 47.7 | Very low | 48.9 | Very low | 86 Ų | 86 | 139.5 Ų | 139.5 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -162.2 | 126.5 | 163 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 56 | S | 44.4 | Very low | 48.9 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 76.1 | 86.5 | 169.2 | -49.4 | 0 | 0 | 0 | 0 | 117.1 | | |
| 57 | K | 41.9 | Very low | 48.8 | Very low | 213 Ų | 213 | 142.2 Ų | 142.2 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | | | trans | 156 | 89.5 | 133.9 | -87 | 169.9 | 178.4 | -178.7 | 0 | 111.4 | | |
| 58 | S | 46.6 | Very low | 49.1 | Very low | 108 Ų | 108 | 141.5 Ų | 141.5 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -164.2 | 55.5 | 155 | 176.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 59 | E | 48.3 | Very low | 49.1 | Very low | 196 Ų | 196 | 139.5 Ų | 139.5 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | | | trans | -97.8 | 66.6 | 153.9 | -154.7 | 172.6 | 164.6 | 0 | 0 | 105.9 | S61 | E59-S61 PolarHBondContact O-N 3.09Š|
| 60 | V | 50.4 | Low | 49.7 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 66% | 0.655 | 80% | 0.797 | S | S | * | * | | | trans | -88.9 | 91.6 | 167.9 | -175 | 0 | 0 | 0 | 0 | 105.1 | I62 | V60-I62 HydrophobicContact CB-CG1 4.31Å; V60-I62 HydrophobicContact CG1-CD1 4.16Å; V60-I62 HydrophobicContact CG1-CG1 3.44Å; V60-I62 VanDerWaalsContact CG1-CG1 3.44Å; V60-I62 PolarHBondContact O-N 2.85Å |
| 61 | S | 47.9 | Very low | 49.7 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | trans | -67.8 | 82.5 | 166.2 | -173.2 | 0 | 0 | 0 | 0 | 108 | E59 K63 | E59-S61 PolarHBondContact O-N 3.09Å; S61-K63 VanDerWaalsContact C-N 3.27Å; S61-K63 PolarHBondContact O-N 3.25Å |
| 62 | I | 54.2 | Low | 50.1 | Low | 125 Ų | 125 | 139.6 Ų | 139.6 | 64% | 0.641 | 79% | 0.793 | S | S | * | * | | | trans | -71.6 | 86.4 | 171.6 | -55.6 | -175.7 | 0 | 0 | 0 | 107.5 | V60 M64 | V60-I62 HydrophobicContact CB-CG1 4.31Å; V60-I62 HydrophobicContact CG1-CD1 4.16Å; V60-I62 HydrophobicContact CG1-CG1 3.44Å; V60-I62 VanDerWaalsContact CG1-CG1 3.44Å; V60-I62 PolarHBondContact O-N 2.85Å; I62-M64 VanDerWaalsContact C-N 3.3Å; I62-M64 HydrophobicContact CG2-CB 4.37Å; I62-M64 HydrophobicContact CG2-CG 3.24Å; I62-M64 HydrophobicContact CG2-SD 4.29Å; I62-M64 PolarHBondContact O-N 3.41Å |
| 63 | K | 54.1 | Low | 50.4 | Low | 192 Ų | 192 | 141 Ų | 141 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | | | trans | -81.4 | 89 | 157.5 | -161 | 159.5 | -176.1 | 176.2 | 0 | 105.2 | S61 Q65 | S61-K63 VanDerWaalsContact C-N 3.27Å; S61-K63 PolarHBondContact O-N 3.25Å; K63-Q65 VanDerWaalsContact C-N 3.29Å; K63-Q65 PolarHBondContact O-N 3.15Å |
| 64 | M | 56.7 | Low | 50.5 | Low | 161 Ų | 161 | 137.1 Ų | 137.1 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | | | trans | -61.5 | 99.5 | 173.7 | -74.4 | -132.7 | -83.9 | 0 | 0 | 108 | I62 S66 | I62-M64 VanDerWaalsContact C-N 3.3Å; I62-M64 HydrophobicContact CG2-CB 4.37Å; I62-M64 HydrophobicContact CG2-CG 3.24Å; I62-M64 HydrophobicContact CG2-SD 4.29Å; I62-M64 PolarHBondContact O-N 3.41Å; M64-S66 VanDerWaalsContact C-N 3.31Å; M64-S66 PolarHBondContact O-N 3.28Å; M64-S66 VanDerWaalsContact O-N 3.15Å |
| 65 | Q | 47.2 | Very low | 50.7 | Low | 163 Ų | 163 | 137.6 Ų | 137.6 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | trans | -66.1 | 91.5 | 161.2 | -173.3 | 174.9 | -17.8 | 0 | 0 | 106.4 | K63 D67 | K63-Q65 VanDerWaalsContact C-N 3.29Å; K63-Q65 PolarHBondContact O-N 3.15Å; Q65-D67 WeakPolarHBondContact CG-OD2 3.37Å; Q65-D67 PolarHBondContact NE2-OD2 3.18Å; Q65-D67 VanDerWaalsContact NE2-OD2 3.09Å; Q65-D67 PolarHBondContact O-N 3.42Å |
| 66 | S | 48.4 | Very low | 51.2 | Low | 109 Ų | 109 | 139.5 Ų | 139.5 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | -91.1 | 78.1 | 168.7 | 54.7 | 0 | 0 | 0 | 0 | 108 | M64 | M64-S66 VanDerWaalsContact C-N 3.31Å; M64-S66 PolarHBondContact O-N 3.28Å; M64-S66 VanDerWaalsContact O-N 3.15Å |
| 67 | D | 49.5 | Very low | 51.5 | Low | 130 Ų | 130 | 139.2 Ų | 139.2 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | | | trans | -85.8 | 93 | 156.3 | -65.8 | -45.9 | 0 | 0 | 0 | 105.6 | Q65 | Q65-D67 WeakPolarHBondContact CG-OD2 3.37Å; Q65-D67 PolarHBondContact NE2-OD2 3.18Å; Q65-D67 VanDerWaalsContact NE2-OD2 3.09Å; Q65-D67 PolarHBondContact O-N 3.42Å |
| 68 | D | 55.1 | Low | 52.1 | Low | 156 Ų | 156 | 133.6 Ų | 133.6 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | | | trans | -130.3 | 102.3 | 166.8 | -129.1 | -32.8 | 0 | 0 | 0 | 108 | T70 | D68-T70 PolarHBondContact O-N 2.88Š|
| 69 | D | 52.6 | Low | 52.4 | Low | 153 Ų | 153 | 132.9 Ų | 132.9 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -50.3 | 123.1 | 165.4 | -72.7 | -65.3 | 0 | 0 | 0 | 109.8 | | |
| 70 | T | 56 | Low | 52.8 | Low | 135 Ų | 135 | 129.7 Ų | 129.7 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | | | trans | -163.8 | 124.2 | 139.7 | -71 | 0 | 0 | 0 | 0 | 110.3 | D68 | D68-T70 PolarHBondContact O-N 2.88Š|
| 71 | S | 50.7 | Low | 53.1 | Low | 102 Ų | 102 | 130 Ų | 130 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | | | trans | -53.6 | 160 | 175.7 | 57.7 | 0 | 0 | 0 | 0 | 116.3 | | |
| 72 | A | 54.2 | Low | 53 | Low | 100 Ų | 100 | 133.8 Ų | 133.8 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | | | trans | 78.5 | 138 | 157.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 73 | N | 54.1 | Low | 52.9 | Low | 134 Ų | 134 | 132.5 Ų | 132.5 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | | | cis | 179.2 | 152.5 | -3.3 | 176.7 | 10.5 | 0 | 0 | 0 | 102.8 | | |
| 74 | Q | 51.2 | Low | 53.1 | Low | 165 Ų | 165 | 131.7 Ų | 131.7 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | | | trans | 75.8 | 148 | 167.8 | -54.7 | -169.1 | -31.4 | 0 | 0 | 118.5 | | |
| 75 | D | 54.6 | Low | 52.7 | Low | 128 Ų | 128 | 132.7 Ų | 132.7 | 68% | 0.684 | 78% | 0.775 | S | S | * | * | | | cis | -178.1 | 135.1 | -37 | -132.7 | -29.1 | 0 | 0 | 0 | 102.7 | | |
| 76 | T | 56.6 | Low | 53 | Low | 126 Ų | 126 | 130.2 Ų | 130.2 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | 64.4 | 135.5 | 159.6 | 73.9 | 0 | 0 | 0 | 0 | 116.7 | | |
| 77 | S | 51.6 | Low | 53.3 | Low | 110 Ų | 110 | 134.1 Ų | 134.1 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | cis | -172.9 | 161.9 | 25.6 | 45.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 78 | A | 54.9 | Low | 53.7 | Low | 95 Ų | 95 | 134.6 Ų | 134.6 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | 99.4 | 130 | 144.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 79 | A | 53.1 | Low | 53.4 | Low | 92 Ų | 92 | 134 Ų | 134 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | | | trans | 81.4 | 91.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 80 | T | 55.8 | Low | 53.6 | Low | 130 Ų | 130 | 136.7 Ų | 136.7 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | | | | 65.8 | 104.2 | 67.2 | -54.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 81 | S | 56.2 | Low | 53.5 | Low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | trans | 177.6 | 91 | 137.8 | -77.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 82 | Q | 47 | Very low | 53.5 | Low | 191 Ų | 191 | 135.2 Ų | 135.2 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | | | | 43.6 | 109.7 | 105 | -71.2 | -164.1 | -14.7 | 0 | 0 | 115.7 | | |
| 83 | S | 52.1 | Low | 53.6 | Low | 98 Ų | 98 | 136.2 Ų | 136.2 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | | | | -178.9 | 111.1 | 128.9 | 174 | 0 | 0 | 0 | 0 | 112.9 | | |
| 84 | K | 57.4 | Low | 53.7 | Low | 174 Ų | 174 | 134 Ų | 134 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | | | trans | 60.4 | 112.1 | 136.6 | -58.1 | -178.6 | -178.8 | -179.1 | 0 | 118.9 | | |
| 85 | Q | 49.4 | Very low | 53.6 | Low | 182 Ų | 182 | 134.6 Ų | 134.6 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | | | | 68.5 | 130.7 | 105.9 | -68.8 | 176.8 | -49.9 | 0 | 0 | 113 | | |
| 86 | S | 53.5 | Low | 53.8 | Low | 111 Ų | 111 | 137.9 Ų | 137.9 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | cis | -161.4 | 150.1 | 25.8 | 56.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 87 | K | 54.6 | Low | 53.5 | Low | 191 Ų | 191 | 141.6 Ų | 141.6 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | | | trans | -62.5 | 139.6 | 166 | -70.3 | 173.6 | 172.5 | 179.1 | 0 | 111.8 | | |
| 88 | T | 56.4 | Low | 53.6 | Low | 140 Ų | 140 | 145.3 Ų | 145.3 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | | | trans | -146.7 | 99 | 145.2 | 37.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 89 | D | 49.3 | Very low | 53.5 | Low | 145 Ų | 145 | 150.1 Ų | 150.1 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | | | trans | -79.3 | 121.5 | 158.1 | -59.9 | -60.8 | 0 | 0 | 0 | 108 | | |
| 90 | K | 57 | Low | 53.6 | Low | 208 Ų | 208 | 148.9 Ų | 148.9 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | | | trans | 177.2 | 147.1 | 139.6 | -116.1 | 170.9 | 173.4 | 172.1 | 0 | 114.8 | | |
| 91 | A | 53.6 | Low | 53.7 | Low | 81 Ų | 81 | 151.4 Ų | 151.4 | 67% | 0.669 | 81% | 0.808 | S | S | * | * | | | trans | 87.6 | 82.8 | 147.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 92 | S | 51.5 | Low | 53.5 | Low | 126 Ų | 126 | 153.7 Ų | 153.7 | 88% | 0.881 | 81% | 0.811 | S | S | * | * | | | | 12 | 113.5 | 111.6 | -30.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 93 | S | 55.9 | Low | 53.9 | Low | 120 Ų | 120 | 153.1 Ų | 153.1 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | | | trans | -150.8 | 131.6 | 146.5 | -168.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 94 | S | 56.2 | Low | 53.9 | Low | 88 Ų | 88 | 153.8 Ų | 153.8 | 62% | 0.615 | 82% | 0.82 | S | S | * | * | | | trans | -73.3 | 172.6 | -174.3 | 45.7 | 0 | 0 | 0 | 0 | 114 | | |
| 95 | E | 49.7 | Very low | 54 | Low | 178 Ų | 178 | 149.7 Ų | 149.7 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | | | trans | 73.9 | 104.5 | 158.4 | -73.8 | 168.7 | 95 | 0 | 0 | 117.6 | | |
| 96 | K | 57.8 | Low | 54.1 | Low | 197 Ų | 197 | 148.4 Ų | 148.4 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | | | | -167.3 | 135.3 | 87.3 | -129.1 | 176 | 179.1 | -174.3 | 0 | 111.2 | | |
| 97 | K | 51.9 | Low | 54.1 | Low | 203 Ų | 203 | 149.1 Ų | 149.1 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | | | trans | -94.7 | 113.8 | 176.2 | -170.6 | -176.6 | -171.1 | -179.6 | 0 | 105.7 | | |
| 98 | E | 51.9 | Low | 54.2 | Low | 188 Ų | 188 | 148.8 Ų | 148.8 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | trans | -139.6 | 124.2 | 161.9 | -148.5 | 164.4 | -158.2 | 0 | 0 | 109.3 | | |
| 99 | K | 53.2 | Low | 54.2 | Low | 196 Ų | 196 | 147 Ų | 147 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | | | trans | -112.4 | 116 | -171.2 | 174.5 | -172.3 | 179.8 | -171 | 0 | 104.3 | | |
| 100 | G | 55.7 | Low | 54.3 | Low | 66 Ų | 66 | 143.1 Ų | 143.1 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | | | trans | -160.6 | 88.4 | 173 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 101 | E | 57.7 | Low | 54.4 | Low | 183 Ų | 183 | 138.4 Ų | 138.4 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | | | | 75.7 | 111.4 | 93.7 | -74.2 | -174.1 | 170.3 | 0 | 0 | 111.1 | | |
| 102 | D | 52.4 | Low | 54.5 | Low | 162 Ų | 162 | 143.5 Ų | 143.5 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | | | trans | -60.4 | 120.9 | 178.9 | -50.6 | -75.8 | 0 | 0 | 0 | 110.7 | | |
| 103 | E | 54.5 | Low | 54.8 | Low | 178 Ų | 178 | 141.1 Ų | 141.1 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | -141.9 | 89.4 | 150 | -82.3 | -148.1 | 151.9 | 0 | 0 | 110.2 | S105 | E103-S105 VanDerWaalsContact C-N 3.3Å; E103-S105 PolarHBondContact O-N 3.37Å |
| 104 | A | 52.4 | Low | 55 | Low | 113 Ų | 113 | 139 Ų | 139 | 93% | 0.934 | 77% | 0.765 | S | S | * | * | | | trans | -67 | 90.5 | 155.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 105 | S | 60 | Low | 55.3 | Low | 88 Ų | 88 | 138.4 Ų | 138.4 | 62% | 0.615 | 76% | 0.757 | S | S | * | * | | | trans | -101.3 | 108.8 | 167.1 | 56.3 | 0 | 0 | 0 | 0 | 110.6 | E103 T107 | E103-S105 VanDerWaalsContact C-N 3.3Å; E103-S105 PolarHBondContact O-N 3.37Å; S105-T107 PolarHBondContact O-N 3.41Å |
| 106 | N | 51.3 | Low | 56.1 | Low | 154 Ų | 154 | 132.4 Ų | 132.4 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | | | trans | -42 | 118.6 | 163.5 | -100 | -22.7 | 0 | 0 | 0 | 111.5 | | |
| 107 | T | 53.4 | Low | 56.9 | Low | 126 Ų | 126 | 126.5 Ų | 126.5 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | | | trans | -111.2 | 64.9 | 165.3 | 35.2 | 0 | 0 | 0 | 0 | 110 | S105 S109 | S105-T107 PolarHBondContact O-N 3.41Å; T107-S109 VanDerWaalsContact C-N 3.27Å; T107-S109 PolarHBondContact O-N 3.48Å |
| 108 | E | 56 | Low | 58.1 | Low | 184 Ų | 184 | 124.1 Ų | 124.1 | 86% | 0.86 | 70% | 0.702 | S | S | * | * | | | trans | -83.2 | 70.1 | 166 | -164.6 | -178.5 | 170.8 | 0 | 0 | 109.2 | | |
| 109 | S | 56 | Low | 59.5 | Low | 102 Ų | 102 | 122 Ų | 122 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | | | trans | -125 | 15.6 | -179.7 | 63.7 | 0 | 0 | 0 | 0 | 114.4 | T107 T111 | T107-S109 VanDerWaalsContact C-N 3.27Å; T107-S109 PolarHBondContact O-N 3.48Å; S109-T111 PolarHBondContact O-N 3.23Å |
| 110 | G | 53.3 | Low | 61 | Low | 65 Ų | 65 | 118.5 Ų | 118.5 | 67% | 0.67 | 67% | 0.674 | S | S | * | * | | | trans | -84.6 | 1.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 111 | T | 58.6 | Low | 62.5 | Low | 109 Ų | 109 | 123 Ų | 123 | 67% | 0.669 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -107.9 | -13.8 | -165.7 | 56.7 | 0 | 0 | 0 | 0 | 116.4 | S109 V115 | S109-T111 PolarHBondContact O-N 3.23Å; T111-V115 VanDerWaalsContact O-CG2 3.3Å; T111-V115 WeakPolarHBondContact O-CG2 3.03Å |
| 112 | K | 55.7 | Low | 64 | Low | 187 Ų | 187 | 118.8 Ų | 118.8 | 81% | 0.813 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -90 | -32.1 | -174.3 | -70.8 | -171.5 | 178.9 | -179.4 | 0 | 114.8 | | |
| 113 | A | 57.8 | Low | 65.7 | Low | 77 Ų | 77 | 115 Ų | 115 | 64% | 0.636 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -70.9 | -37.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V115 A116 | A113-V115 PolarHBondContact O-N 3.18Å; A113-A116 PolarHBondContact O-N 3.47Å |
| 114 | D | 59.6 | Low | 67.4 | Low | 76 Ų | 76 | 113 Ų | 113 | 41% | 0.406 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -68.8 | -31.2 | -176 | -168 | 63.9 | 0 | 0 | 0 | 113.2 | A116 R118 | D114-A116 PolarHBondContact O-N 3.03Å; D114-R118 WeakPolarHBondContact O-CG 3.36Å; D114-R118 PolarHBondContact O-N 3.37Å; D114-R118 IonicContact OD2-CZ 3.08Å; D114-R118 IonicContact OD2-NE 2.7Å; D114-R118 PolarHBondContact OD2-NE 3.24Å; D114-R118 IonicContact OD2-NH2 2.67Å; D114-R118 PolarHBondContact OD2-NH2 3.3Å |
| 115 | V | 62.8 | Low | 69.4 | Low | 74 Ų | 74 | 113 Ų | 113 | 45% | 0.448 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.5 | -34.1 | 179.1 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | T111 A113 D117 K119 | T111-V115 VanDerWaalsContact O-CG2 3.3Å; T111-V115 WeakPolarHBondContact O-CG2 3.03Å; A113-V115 PolarHBondContact O-N 3.18Å; V115-D117 VanDerWaalsContact C-N 3.35Å; V115-K119 PolarHBondContact O-N 2.92Å |
| 116 | A | 66.4 | Low | 71.1 | Confident | 53 Ų | 53 | 115.1 Ų | 115.1 | 44% | 0.438 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.8 | -38.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A113 D114 | A113-A116 PolarHBondContact O-N 3.47Å; D114-A116 PolarHBondContact O-N 3.03Å |
| 117 | D | 74.6 | Confident | 73.1 | Confident | 73 Ų | 73 | 113.2 Ų | 113.2 | 39% | 0.39 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -77.2 | -38.1 | 178.8 | -73 | -29.5 | 0 | 0 | 0 | 112.2 | V115 K119 K120 Y121 | V115-D117 VanDerWaalsContact C-N 3.35Å; D117-K119 VanDerWaalsContact C-N 3.26Å; D117-K119 PolarHBondContact O-N 3.22Å; D117-K120 WeakPolarHBondContact O-CB 3.49Å; D117-K120 PolarHBondContact O-N 3.48Å; D117-K120 IonicContact OD1-NZ 2.88Å; D117-K120 PolarHBondContact OD1-NZ 3.12Å; D117-Y121 HydrophobicContact CB-CE2 4.18Å; D117-Y121 WeakPolarHBondContact O-CD2 3.33Å; D117-Y121 PolarHBondContact O-N 3.37Å |
| 118 | R | 77.4 | Confident | 75.2 | Confident | 153 Ų | 153 | 111.2 Ų | 111.2 | 58% | 0.577 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -53.2 | -42.9 | 173.5 | -72.8 | 179.1 | -167.3 | -138.4 | 5.6 | 112.5 | D114 K120 Y121 L122 | D114-R118 WeakPolarHBondContact O-CG 3.36Å; D114-R118 PolarHBondContact O-N 3.37Å; D114-R118 IonicContact OD2-CZ 3.08Å; D114-R118 IonicContact OD2-NE 2.7Å; D114-R118 PolarHBondContact OD2-NE 3.24Å; D114-R118 IonicContact OD2-NH2 2.67Å; D114-R118 PolarHBondContact OD2-NH2 3.3Å; R118-K120 VanDerWaalsContact C-N 3.31Å; R118-K120 PolarHBondContact O-N 2.86Å; R118-Y121 PolarHBondContact O-N 3.42Å; R118-L122 WeakPolarHBondContact O-CB 3.47Å; R118-L122 WeakPolarHBondContact O-CD1 3.4Å; R118-L122 PolarHBondContact O-N 3.04Å |
| 119 | K | 80.8 | Confident | 77.1 | Confident | 144 Ų | 144 | 107.6 Ų | 107.6 | 63% | 0.626 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.2 | -37 | 178.5 | -72.4 | -176.8 | 179.5 | -173.8 | 0 | 112.9 | V115 D117 S123 | V115-K119 PolarHBondContact O-N 2.92Å; D117-K119 VanDerWaalsContact C-N 3.26Å; D117-K119 PolarHBondContact O-N 3.22Å; K119-S123 WeakPolarHBondContact O-CB 3.34Å; K119-S123 PolarHBondContact O-N 3.22Å |
| 120 | K | 83.8 | Confident | 79 | Confident | 121 Ų | 121 | 106.4 Ų | 106.4 | 53% | 0.526 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.5 | -41.7 | 176.9 | -62.4 | 173.7 | -167.5 | 155.5 | 0 | 111.3 | D117 R118 S123 K124 | D117-K120 WeakPolarHBondContact O-CB 3.49Å; D117-K120 PolarHBondContact O-N 3.48Å; D117-K120 IonicContact OD1-NZ 2.88Å; D117-K120 PolarHBondContact OD1-NZ 3.12Å; R118-K120 VanDerWaalsContact C-N 3.31Å; R118-K120 PolarHBondContact O-N 2.86Å; K120-S123 PolarHBondContact O-N 2.67Å; K120-K124 WeakPolarHBondContact O-CG 3.44Å; K120-K124 PolarHBondContact O-N 2.7Å |
| 121 | Y | 87.6 | Confident | 81.1 | Confident | 162 Ų | 162 | 108.5 Ų | 108.5 | 64% | 0.635 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66 | -43 | 176.4 | -68.3 | -71.9 | 0 | 0 | 0 | 111.9 | D117 R118 S123 K124 L125 | D117-Y121 HydrophobicContact CB-CE2 4.18Å; D117-Y121 WeakPolarHBondContact O-CD2 3.33Å; D117-Y121 PolarHBondContact O-N 3.37Å; R118-Y121 PolarHBondContact O-N 3.42Å; Y121-S123 PolarHBondContact O-N 3Å; Y121-K124 PolarHBondContact O-N 3.44Å; Y121-L125 VanDerWaalsContact O-CB 3.32Å; Y121-L125 WeakPolarHBondContact O-CB 3.3Å; Y121-L125 PolarHBondContact O-N 3.33Å |
| 122 | L | 88.8 | Confident | 82.9 | Confident | 93 Ų | 93 | 107.7 Ų | 107.7 | 49% | 0.487 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.3 | -48.4 | 174.3 | -86 | 145.6 | 0 | 0 | 0 | 111.2 | R118 K124 L125 F126 | R118-L122 WeakPolarHBondContact O-CB 3.47Å; R118-L122 WeakPolarHBondContact O-CD1 3.4Å; R118-L122 PolarHBondContact O-N 3.04Å; L122-K124 PolarHBondContact O-N 3.5Å; L122-L125 PolarHBondContact O-N 3.09Å; L122-F126 HydrophobicContact CD2-CE2 4.32Å; L122-F126 VanDerWaalsContact O-CD2 3.31Å; L122-F126 WeakPolarHBondContact O-CD2 3.32Å; L122-F126 PolarHBondContact O-N 3.47Å |
| 123 | S | 88.1 | Confident | 84.9 | Confident | 83 Ų | 83 | 101.8 Ų | 101.8 | 58% | 0.58 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.9 | -43.2 | 178.1 | 177.2 | 0 | 0 | 0 | 0 | 112.6 | K119 K120 Y121 F126 L127 | K119-S123 WeakPolarHBondContact O-CB 3.34Å; K119-S123 PolarHBondContact O-N 3.22Å; K120-S123 PolarHBondContact O-N 2.67Å; Y121-S123 PolarHBondContact O-N 3Å; S123-F126 PolarHBondContact O-N 3.33Å; S123-L127 PolarHBondContact O-N 2.93Å; S123-L127 VanDerWaalsContact O-N 3.09Å |
| 124 | K | 91.5 | Very high | 86.7 | Confident | 137 Ų | 137 | 102.5 Ų | 102.5 | 60% | 0.596 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.7 | -43 | 174.7 | -73 | 176.2 | -179.2 | -179.4 | 0 | 112 | K120 Y121 L122 L127 T128 | K120-K124 WeakPolarHBondContact O-CG 3.44Å; K120-K124 PolarHBondContact O-N 2.7Å; Y121-K124 PolarHBondContact O-N 3.44Å; L122-K124 PolarHBondContact O-N 3.5Å; K124-L127 PolarHBondContact O-N 3.22Å; K124-T128 WeakPolarHBondContact O-CG2 3.47Å; K124-T128 PolarHBondContact O-N 2.97Å; K124-T128 PolarHBondContact O-OG1 3.5Å |
| 125 | L | 94.3 | Very high | 88.5 | Confident | 111 Ų | 111 | 106.6 Ų | 106.6 | 58% | 0.581 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.6 | -45.9 | 179.4 | -174.9 | 67.7 | 0 | 0 | 0 | 111.5 | Y121 L122 L127 T128 L129 | Y121-L125 VanDerWaalsContact O-CB 3.32Å; Y121-L125 WeakPolarHBondContact O-CB 3.3Å; Y121-L125 PolarHBondContact O-N 3.33Å; L122-L125 PolarHBondContact O-N 3.09Å; L125-L127 PolarHBondContact O-N 3.19Å; L125-T128 WeakPolarHBondContact CA-OG1 3.4Å; L125-T128 PolarHBondContact O-N 3.43Å; L125-T128 PolarHBondContact O-OG1 2.91Å; L125-L129 WeakPolarHBondContact O-CB 3.31Å; L125-L129 PolarHBondContact O-N 3.38Å |
| 126 | F | 94.7 | Very high | 90.2 | Very high | 133 Ų | 133 | 107.7 Ų | 107.7 | 58% | 0.583 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.8 | -46.5 | 175.3 | -92 | -78.7 | 0 | 0 | 0 | 111.6 | L122 S123 T128 L129 T130 | L122-F126 HydrophobicContact CD2-CE2 4.32Å; L122-F126 VanDerWaalsContact O-CD2 3.31Å; L122-F126 WeakPolarHBondContact O-CD2 3.32Å; L122-F126 PolarHBondContact O-N 3.47Å; S123-F126 PolarHBondContact O-N 3.33Å; F126-T128 PolarHBondContact O-N 3.33Å; F126-L129 PolarHBondContact O-N 3.02Å; F126-T130 PolarHBondContact O-N 3.39Å; F126-T130 PolarHBondContact O-OG1 3.04Å; F126-T130 VanDerWaalsContact O-OG1 3.06Å |
| 127 | L | 94.9 | Very high | 91.6 | Very high | 114 Ų | 114 | 108.1 Ų | 108.1 | 60% | 0.597 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.3 | -45.3 | 178.6 | -176.1 | 63.2 | 0 | 0 | 0 | 111.9 | S123 K124 L125 L129 T130 I131 | S123-L127 PolarHBondContact O-N 2.93Å; S123-L127 VanDerWaalsContact O-N 3.09Å; K124-L127 PolarHBondContact O-N 3.22Å; L125-L127 PolarHBondContact O-N 3.19Å; L127-L129 VanDerWaalsContact C-N 3.3Å; L127-L129 PolarHBondContact O-N 2.97Å; L127-T130 PolarHBondContact O-N 2.76Å; L127-I131 HydrophobicContact CD1-CD1 4.37Å; L127-I131 HydrophobicContact CG-CD1 4.13Å; L127-I131 WeakPolarHBondContact O-CG1 3.48Å; L127-I131 PolarHBondContact O-N 3.04Å; L127-I131 VanDerWaalsContact O-N 3.12Å |
| 128 | T | 96.2 | Very high | 92.6 | Very high | 84 Ų | 84 | 107.8 Ų | 107.8 | 52% | 0.515 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.2 | -37.1 | 177.1 | 51.5 | 0 | 0 | 0 | 0 | 112.4 | K124 L125 F126 L132 | K124-T128 WeakPolarHBondContact O-CG2 3.47Å; K124-T128 PolarHBondContact O-N 2.97Å; K124-T128 PolarHBondContact O-OG1 3.5Å; L125-T128 WeakPolarHBondContact CA-OG1 3.4Å; L125-T128 PolarHBondContact O-N 3.43Å; L125-T128 PolarHBondContact O-OG1 2.91Å; F126-T128 PolarHBondContact O-N 3.33Å; T128-L132 WeakPolarHBondContact O-CB 3.42Å; T128-L132 PolarHBondContact O-N 3.06Å |
| 129 | L | 95.8 | Very high | 93.5 | Very high | 109 Ų | 109 | 103 Ų | 103 | 57% | 0.571 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.4 | -40.5 | 179 | -171.7 | 65.4 | 0 | 0 | 0 | 111.6 | L125 F126 L127 L132 S133 | L125-L129 WeakPolarHBondContact O-CB 3.31Å; L125-L129 PolarHBondContact O-N 3.38Å; F126-L129 PolarHBondContact O-N 3.02Å; L127-L129 VanDerWaalsContact C-N 3.3Å; L127-L129 PolarHBondContact O-N 2.97Å; L129-L132 PolarHBondContact O-N 3.45Å; L129-S133 PolarHBondContact O-N 2.9Å |
| 130 | T | 96.9 | Very high | 94.3 | Very high | 77 Ų | 77 | 99 Ų | 99 | 47% | 0.472 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 176.2 | -54 | 0 | 0 | 0 | 0 | 111.3 | F126 L127 L132 S133 V134 | F126-T130 PolarHBondContact O-N 3.39Å; F126-T130 PolarHBondContact O-OG1 3.04Å; F126-T130 VanDerWaalsContact O-OG1 3.06Å; L127-T130 PolarHBondContact O-N 2.76Å; T130-L132 VanDerWaalsContact C-N 3.31Å; T130-L132 PolarHBondContact O-N 3.18Å; T130-S133 PolarHBondContact O-N 3.4Å; T130-S133 PolarHBondContact O-OG 3.34Å; T130-V134 WeakPolarHBondContact O-CG2 3.43Å; T130-V134 PolarHBondContact O-N 3.02Å |
| 131 | I | 96.6 | Very high | 94.8 | Very high | 109 Ų | 109 | 99.5 Ų | 99.5 | 56% | 0.559 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.7 | -44.8 | 177.5 | -65.2 | 164.9 | 0 | 0 | 0 | 110.4 | L127 S133 V134 W135 | L127-I131 HydrophobicContact CD1-CD1 4.37Å; L127-I131 HydrophobicContact CG-CD1 4.13Å; L127-I131 WeakPolarHBondContact O-CG1 3.48Å; L127-I131 PolarHBondContact O-N 3.04Å; L127-I131 VanDerWaalsContact O-N 3.12Å; I131-S133 VanDerWaalsContact C-N 3.34Å; I131-S133 PolarHBondContact O-N 3.38Å; I131-V134 PolarHBondContact O-N 3.49Å; I131-W135 WeakPolarHBondContact O-CB 3.44Å; I131-W135 PolarHBondContact O-N 3.5Å |
| 132 | L | 97 | Very high | 95.1 | Very high | 91 Ų | 91 | 97.7 Ų | 97.7 | 48% | 0.476 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 177.6 | -171.8 | 63.7 | 0 | 0 | 0 | 112.1 | T128 L129 T130 W135 L136 | T128-L132 WeakPolarHBondContact O-CB 3.42Å; T128-L132 PolarHBondContact O-N 3.06Å; L129-L132 PolarHBondContact O-N 3.45Å; T130-L132 VanDerWaalsContact C-N 3.31Å; T130-L132 PolarHBondContact O-N 3.18Å; L132-W135 HydrophobicContact CD1-CE3 4.32Å; L132-W135 PolarHBondContact O-N 3.3Å; L132-L136 HydrophobicContact CD1-CD1 4.49Å; L132-L136 HydrophobicContact CG-CD1 4.01Å; L132-L136 WeakPolarHBondContact O-CB 3.38Å; L132-L136 WeakPolarHBondContact O-CD1 3.43Å; L132-L136 WeakPolarHBondContact O-CG 3.49Å; L132-L136 PolarHBondContact O-N 3.48Å |
| 133 | S | 96.8 | Very high | 95.4 | Very high | 63 Ų | 63 | 101.5 Ų | 101.5 | 44% | 0.441 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 177.2 | 70.5 | 0 | 0 | 0 | 0 | 113 | L129 T130 I131 L136 A137 | L129-S133 PolarHBondContact O-N 2.9Å; T130-S133 PolarHBondContact O-N 3.4Å; T130-S133 PolarHBondContact O-OG 3.34Å; I131-S133 VanDerWaalsContact C-N 3.34Å; I131-S133 PolarHBondContact O-N 3.38Å; S133-L136 PolarHBondContact O-N 2.68Å; S133-A137 WeakPolarHBondContact O-CB 3.44Å; S133-A137 PolarHBondContact O-N 2.97Å |
| 134 | V | 97.1 | Very high | 95.5 | Very high | 93 Ų | 93 | 107 Ų | 107 | 56% | 0.564 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68 | -40.9 | 177.8 | 173.6 | 0 | 0 | 0 | 0 | 110.2 | T130 I131 A137 S138 | T130-V134 WeakPolarHBondContact O-CG2 3.43Å; T130-V134 PolarHBondContact O-N 3.02Å; I131-V134 PolarHBondContact O-N 3.49Å; V134-A137 PolarHBondContact O-N 3.31Å; V134-S138 WeakPolarHBondContact O-CB 3.44Å; V134-S138 PolarHBondContact O-N 2.94Å |
| 135 | W | 97.4 | Very high | 94.9 | Very high | 162 Ų | 162 | 110.1 Ų | 110.1 | 61% | 0.614 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63 | -46.2 | 176.4 | -171.2 | 75.7 | 0 | 0 | 0 | 112 | I131 L132 A137 S138 I139 | I131-W135 WeakPolarHBondContact O-CB 3.44Å; I131-W135 PolarHBondContact O-N 3.5Å; L132-W135 HydrophobicContact CD1-CE3 4.32Å; L132-W135 PolarHBondContact O-N 3.3Å; W135-A137 PolarHBondContact O-N 2.93Å; W135-S138 PolarHBondContact O-N 3.27Å; W135-I139 HydrophobicContact CD2-CD1 3.6Å; W135-I139 HydrophobicContact CE3-CD1 3.53Å; W135-I139 HydrophobicContact CG-CD1 4.45Å; W135-I139 HydrophobicContact CH2-CD1 3.42Å; W135-I139 VanDerWaalsContact CH2-CD1 3.42Å; W135-I139 HydrophobicContact CZ2-CD1 3.49Å; W135-I139 VanDerWaalsContact CZ2-CD1 3.49Å; W135-I139 HydrophobicContact CZ3-CD1 3.44Å; W135-I139 VanDerWaalsContact CZ3-CD1 3.44Å; W135-I139 WeakPolarHBondContact O-CG1 3.42Å; W135-I139 PolarHBondContact O-N 3.19Å |
| 136 | L | 96.9 | Very high | 94.9 | Very high | 97 Ų | 97 | 110.1 Ų | 110.1 | 51% | 0.508 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.6 | -43.8 | 174.6 | -80.1 | 159.2 | 0 | 0 | 0 | 112.2 | L132 S133 I139 A140 | L132-L136 HydrophobicContact CD1-CD1 4.49Å; L132-L136 HydrophobicContact CG-CD1 4.01Å; L132-L136 WeakPolarHBondContact O-CB 3.38Å; L132-L136 WeakPolarHBondContact O-CD1 3.43Å; L132-L136 WeakPolarHBondContact O-CG 3.49Å; L132-L136 PolarHBondContact O-N 3.48Å; S133-L136 PolarHBondContact O-N 2.68Å; L136-I139 PolarHBondContact O-N 3.47Å; L136-A140 WeakPolarHBondContact O-CB 3.48Å; L136-A140 PolarHBondContact O-N 3.1Å |
| 137 | A | 96.2 | Very high | 95 | Very high | 61 Ų | 61 | 108.9 Ų | 108.9 | 50% | 0.504 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.5 | -40.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S133 V134 W135 I139 A140 F141 | S133-A137 WeakPolarHBondContact O-CB 3.44Å; S133-A137 PolarHBondContact O-N 2.97Å; V134-A137 PolarHBondContact O-N 3.31Å; W135-A137 PolarHBondContact O-N 2.93Å; A137-I139 VanDerWaalsContact C-N 3.35Å; A137-I139 PolarHBondContact O-N 3.49Å; A137-A140 PolarHBondContact O-N 3.18Å; A137-F141 WeakPolarHBondContact O-CB 3.49Å; A137-F141 PolarHBondContact O-N 2.89Å |
| 138 | S | 96.3 | Very high | 95 | Very high | 67 Ų | 67 | 108.6 Ų | 108.6 | 47% | 0.469 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.6 | -39.1 | 175.8 | -171.7 | 0 | 0 | 0 | 0 | 112.3 | V134 W135 L142 | V134-S138 WeakPolarHBondContact O-CB 3.44Å; V134-S138 PolarHBondContact O-N 2.94Å; W135-S138 PolarHBondContact O-N 3.27Å; S138-L142 WeakPolarHBondContact O-CG 3.44Å; S138-L142 PolarHBondContact O-N 2.91Å |
| 139 | I | 96.6 | Very high | 94.9 | Very high | 53 Ų | 53 | 110.1 Ų | 110.1 | 27% | 0.272 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.2 | -47.7 | 175.4 | -68.8 | 167.9 | 0 | 0 | 0 | 110.3 | W135 L136 A137 F141 L142 F143 | W135-I139 HydrophobicContact CD2-CD1 3.6Å; W135-I139 HydrophobicContact CE3-CD1 3.53Å; W135-I139 HydrophobicContact CG-CD1 4.45Å; W135-I139 HydrophobicContact CH2-CD1 3.42Å; W135-I139 VanDerWaalsContact CH2-CD1 3.42Å; W135-I139 HydrophobicContact CZ2-CD1 3.49Å; W135-I139 VanDerWaalsContact CZ2-CD1 3.49Å; W135-I139 HydrophobicContact CZ3-CD1 3.44Å; W135-I139 VanDerWaalsContact CZ3-CD1 3.44Å; W135-I139 WeakPolarHBondContact O-CG1 3.42Å; W135-I139 PolarHBondContact O-N 3.19Å; L136-I139 PolarHBondContact O-N 3.47Å; A137-I139 VanDerWaalsContact C-N 3.35Å; A137-I139 PolarHBondContact O-N 3.49Å; I139-F141 PolarHBondContact O-N 3.11Å; I139-L142 WeakPolarHBondContact O-CB 3.29Å; I139-L142 PolarHBondContact O-N 3.35Å; I139-L142 VanDerWaalsContact O-N 3.1Å; I139-F143 HydrophobicContact CG2-CD2 3.77Å; I139-F143 HydrophobicContact CG2-CE2 3.66Å; I139-F143 VanDerWaalsContact O-CD2 3.29Å; I139-F143 WeakPolarHBondContact O-CD2 3.35Å; I139-F143 PolarHBondContact O-N 3.04Å |
| 140 | A | 96.3 | Very high | 94.8 | Very high | 60 Ų | 60 | 110.1 Ų | 110.1 | 50% | 0.496 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -58.3 | -39.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L136 A137 L142 F143 Y144 | L136-A140 WeakPolarHBondContact O-CB 3.48Å; L136-A140 PolarHBondContact O-N 3.1Å; A137-A140 PolarHBondContact O-N 3.18Å; A140-L142 PolarHBondContact O-N 3.28Å; A140-F143 PolarHBondContact O-N 3.43Å; A140-Y144 WeakPolarHBondContact O-CB 3.34Å; A140-Y144 PolarHBondContact O-N 3.32Å; A140-Y144 VanDerWaalsContact O-N 3.11Å |
| 141 | F | 95.6 | Very high | 94.7 | Very high | 130 Ų | 130 | 112.3 Ų | 112.3 | 57% | 0.57 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.3 | -39.2 | 175.5 | -173.3 | -95.5 | 0 | 0 | 0 | 112.7 | A137 I139 F143 Y144 F145 | A137-F141 WeakPolarHBondContact O-CB 3.49Å; A137-F141 PolarHBondContact O-N 2.89Å; I139-F141 PolarHBondContact O-N 3.11Å; F141-F143 VanDerWaalsContact C-N 3.33Å; F141-F143 PolarHBondContact O-N 3.26Å; F141-Y144 PolarHBondContact O-N 3.37Å; F141-F145 HydrophobicContact CD2-CE2 4.32Å; F141-F145 HydrophobicContact CE1-CD2 4.13Å; F141-F145 HydrophobicContact CE1-CE2 4.12Å; F141-F145 HydrophobicContact CE2-CD2 4.17Å; F141-F145 AromaticContact CE2-CE2 3.57Å; F141-F145 HydrophobicContact CE2-CE2 3.57Å; F141-F145 AromaticContact CZ-CD2 3.93Å; F141-F145 HydrophobicContact CZ-CD2 3.93Å; F141-F145 AromaticContact CZ-CE2 3.45Å; F141-F145 HydrophobicContact CZ-CE2 3.45Å; F141-F145 VanDerWaalsContact CZ-CE2 3.45Å; F141-F145 HydrophobicContact CZ-CZ 4.38Å |
| 142 | L | 94.2 | Very high | 94.6 | Very high | 124 Ų | 124 | 112.6 Ų | 112.6 | 65% | 0.649 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.3 | -29.7 | 176.2 | -73.2 | 170.5 | 0 | 0 | 0 | 113.6 | S138 I139 A140 | S138-L142 WeakPolarHBondContact O-CG 3.44Å; S138-L142 PolarHBondContact O-N 2.91Å; I139-L142 WeakPolarHBondContact O-CB 3.29Å; I139-L142 PolarHBondContact O-N 3.35Å; I139-L142 VanDerWaalsContact O-N 3.1Å; A140-L142 PolarHBondContact O-N 3.28Å |
| 143 | F | 93.4 | Very high | 94.4 | Very high | 174 Ų | 174 | 114.2 Ų | 114.2 | 76% | 0.763 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -87.1 | -13.3 | 177.1 | -78.4 | -74.9 | 0 | 0 | 0 | 113.6 | I139 A140 F141 | I139-F143 HydrophobicContact CG2-CD2 3.77Å; I139-F143 HydrophobicContact CG2-CE2 3.66Å; I139-F143 VanDerWaalsContact O-CD2 3.29Å; I139-F143 WeakPolarHBondContact O-CD2 3.35Å; I139-F143 PolarHBondContact O-N 3.04Å; A140-F143 PolarHBondContact O-N 3.43Å; F141-F143 VanDerWaalsContact C-N 3.33Å; F141-F143 PolarHBondContact O-N 3.26Å |
| 144 | Y | 91.8 | Very high | 94.2 | Very high | 199 Ų | 199 | 118.5 Ų | 118.5 | 78% | 0.78 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -83.2 | -27.6 | -179.9 | -173.6 | -98.9 | 0 | 0 | 0 | 113.1 | A140 F141 | A140-Y144 WeakPolarHBondContact O-CB 3.34Å; A140-Y144 PolarHBondContact O-N 3.32Å; A140-Y144 VanDerWaalsContact O-N 3.11Å; F141-Y144 PolarHBondContact O-N 3.37Å |
| 145 | F | 78.4 | Confident | 93.9 | Very high | 202 Ų | 202 | 120.8 Ų | 120.8 | 89% | 0.886 | 59% | 0.592 | S | S | * | * | | | trans | -94.1 | 0 | 175 | -83.2 | -84.3 | 0 | 0 | 0 | 111.8 | F141 | F141-F145 HydrophobicContact CD2-CE2 4.32Å; F141-F145 HydrophobicContact CE1-CD2 4.13Å; F141-F145 HydrophobicContact CE1-CE2 4.12Å; F141-F145 HydrophobicContact CE2-CD2 4.17Å; F141-F145 AromaticContact CE2-CE2 3.57Å; F141-F145 HydrophobicContact CE2-CE2 3.57Å; F141-F145 AromaticContact CZ-CD2 3.93Å; F141-F145 HydrophobicContact CZ-CD2 3.93Å; F141-F145 AromaticContact CZ-CE2 3.45Å; F141-F145 HydrophobicContact CZ-CE2 3.45Å; F141-F145 VanDerWaalsContact CZ-CE2 3.45Å; F141-F145 HydrophobicContact CZ-CZ 4.38Å |