| 1 | M | 40.7 | Very low | 38.7 | Very low | 231 Ų | 231 | 163.3 Ų | 163.3 | 100% | 1.138 | 87% | 0.867 | S | S | * | * | | | | 0 | -3.8 | 0 | -78.3 | -163.4 | -73.5 | 0 | 0 | 111.1 | | |
| 2 | D | 34.6 | Very low | 38.4 | Very low | 153 Ų | 153 | 163.8 Ų | 163.8 | 82% | 0.818 | 87% | 0.87 | S | S | * | * | | | trans | -52 | 155.7 | 140 | -41 | -85.8 | 0 | 0 | 0 | 110.6 | | |
| 3 | L | 40.7 | Very low | 38 | Very low | 183 Ų | 183 | 160 Ų | 160 | 96% | 0.958 | 87% | 0.865 | S | S | * | * | | | trans | 68.1 | 91.6 | -165.8 | -56.8 | 166.4 | 0 | 0 | 0 | 113.2 | | |
| 4 | G | 36.6 | Very low | 37.7 | Very low | 66 Ų | 66 | 160.4 Ų | 160.4 | 68% | 0.68 | 86% | 0.861 | S | S | * | * | | | trans | -161.7 | -36.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | S6 | G4-S6 PolarHBondContact O-N 2.67Š|
| 5 | F | 42.1 | Very low | 37.5 | Very low | 218 Ų | 218 | 164.7 Ų | 164.7 | 96% | 0.956 | 86% | 0.863 | S | S | * | * | S | Bend | trans | -96.9 | 62.2 | -175.4 | -83.4 | -84.1 | 0 | 0 | 0 | 113.8 | | |
| 6 | S | 38.2 | Very low | 37.4 | Very low | 116 Ų | 116 | 162.4 Ų | 162.4 | 81% | 0.811 | 86% | 0.858 | S | S | * | * | S | Bend | trans | -148.1 | 45.7 | 173.6 | -53.8 | 0 | 0 | 0 | 0 | 112.4 | G4 | G4-S6 PolarHBondContact O-N 2.67Š|
| 7 | K | 39.4 | Very low | 37.3 | Very low | 203 Ų | 203 | 161.2 Ų | 161.2 | 88% | 0.883 | 85% | 0.852 | S | S | * | * | S | Bend | trans | -165.6 | 66.5 | 172.3 | -116.6 | 171.3 | -172.5 | -179.5 | 0 | 112.9 | | |
| 8 | L | 38 | Very low | 37.2 | Very low | 168 Ų | 168 | 163.1 Ų | 163.1 | 88% | 0.88 | 85% | 0.847 | S | S | * | * | | | trans | -162.1 | 163.9 | 160.4 | -105.5 | 167.1 | 0 | 0 | 0 | 107.5 | | |
| 9 | I | 39.2 | Very low | 37 | Very low | 167 Ų | 167 | 166.1 Ų | 166.1 | 86% | 0.856 | 85% | 0.848 | S | S | * | * | | | trans | 62 | 64.2 | -169.6 | -40.6 | 176.4 | 0 | 0 | 0 | 112.6 | | |
| 10 | N | 37.2 | Very low | 36.8 | Very low | 151 Ų | 151 | 163.8 Ų | 163.8 | 81% | 0.807 | 85% | 0.848 | S | S | * | * | | | trans | -125.7 | 89.6 | 148.1 | -175.8 | 32.7 | 0 | 0 | 0 | 106.9 | | |
| 11 | N | 38.5 | Very low | 36.6 | Very low | 140 Ų | 140 | 161.3 Ų | 161.3 | 75% | 0.749 | 84% | 0.842 | S | S | * | * | | | trans | 168.9 | 87.4 | 166.3 | -92.2 | -8 | 0 | 0 | 0 | 109.1 | | |
| 12 | N | 35.3 | Very low | 36.2 | Very low | 170 Ų | 170 | 156.5 Ų | 156.5 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | | | trans | 179.3 | 123.3 | 132.9 | -92.5 | -16.4 | 0 | 0 | 0 | 109.3 | | |
| 13 | S | 33.5 | Very low | 36.3 | Very low | 114 Ų | 114 | 157.4 Ų | 157.4 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | | | trans | -92.7 | 123.1 | 179.7 | 53.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 14 | M | 34.3 | Very low | 35.9 | Very low | 166 Ų | 166 | 155.2 Ų | 155.2 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -173.8 | 153.5 | 145.9 | -98.1 | -56.4 | 167.6 | 0 | 0 | 108.3 | | |
| 15 | Y | 34.5 | Very low | 35.8 | Very low | 224 Ų | 224 | 159.8 Ų | 159.8 | 88% | 0.878 | 82% | 0.817 | S | S | * | * | | | trans | 58.8 | 75.8 | 178.6 | -68.3 | -82.5 | 0 | 0 | 0 | 117.5 | | |
| 16 | T | 35.7 | Very low | 35.5 | Very low | 129 Ų | 129 | 155.6 Ų | 155.6 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | | | trans | -126.9 | 105.8 | 156.1 | 53.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 17 | N | 35.5 | Very low | 35.5 | Very low | 142 Ų | 142 | 155.5 Ų | 155.5 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | | | trans | 173.5 | 134 | 167.2 | -93.6 | -21.2 | 0 | 0 | 0 | 105.8 | | |
| 18 | Y | 34.8 | Very low | 35.4 | Very low | 194 Ų | 194 | 155.5 Ų | 155.5 | 76% | 0.761 | 81% | 0.808 | S | S | * | * | S | Bend | cis | -135.4 | -179.7 | 19.6 | -94.5 | -87.9 | 0 | 0 | 0 | 113 | | |
| 19 | Y | 34.2 | Very low | 35.3 | Very low | 220 Ų | 220 | 155.4 Ų | 155.4 | 86% | 0.863 | 81% | 0.808 | S | S | * | * | | | trans | 73.9 | 88.5 | 167.9 | -69.6 | -76.4 | 0 | 0 | 0 | 118.9 | | |
| 20 | S | 33 | Very low | 35.1 | Very low | 121 Ų | 121 | 151.6 Ų | 151.6 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | -105.2 | 137.5 | 146.2 | -65.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 21 | P | 33 | Very low | 34.9 | Very low | 112 Ų | 112 | 154.6 Ų | 154.6 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -101.6 | 174.4 | -179.3 | 37 | -32.8 | 0 | 0 | 0 | 114.7 | | |
| 22 | I | 31.3 | Very low | 34.6 | Very low | 130 Ų | 130 | 154.7 Ų | 154.7 | 67% | 0.667 | 80% | 0.796 | S | S | * | * | | | trans | 67.3 | 108.9 | 163.7 | -20.3 | 179.4 | 0 | 0 | 0 | 117.9 | | |
| 23 | H | 37.6 | Very low | 34.4 | Very low | 171 Ų | 171 | 153.6 Ų | 153.6 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | | -177.5 | 158 | 101.3 | -100.4 | -74.3 | 0 | 0 | 0 | 113.9 | | |
| 24 | N | 31.6 | Very low | 34.4 | Very low | 137 Ų | 137 | 154.6 Ų | 154.6 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | | | trans | -77.7 | 150.8 | -169.7 | -54.4 | -25.5 | 0 | 0 | 0 | 113.3 | | |
| 25 | N | 35.5 | Very low | 34.3 | Very low | 162 Ų | 162 | 153.8 Ų | 153.8 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | | | | -161.7 | 149.2 | 116.6 | -101.6 | -23 | 0 | 0 | 0 | 114.5 | | |
| 26 | T | 35.3 | Very low | 34.7 | Very low | 131 Ų | 131 | 148.2 Ų | 148.2 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -62.4 | 139.9 | -170.9 | 53.9 | 0 | 0 | 0 | 0 | 117.2 | | |
| 27 | S | 38.5 | Very low | 34.4 | Very low | 113 Ų | 113 | 151.5 Ų | 151.5 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | | -167.7 | 121.9 | 124.4 | 60.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 28 | K | 37.8 | Very low | 34.6 | Very low | 203 Ų | 203 | 152.4 Ų | 152.4 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | | | trans | 11.6 | 117.8 | 152.4 | -58.6 | 174.8 | 178.7 | 178.4 | 0 | 119.1 | | |
| 29 | L | 34.8 | Very low | 34.7 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | | | | -174.9 | 151 | 100.9 | -92.9 | 160.2 | 0 | 0 | 0 | 109.7 | | |
| 30 | P | 34.7 | Very low | 34.5 | Very low | 88 Ų | 88 | 151.3 Ų | 151.3 | 57% | 0.571 | 79% | 0.788 | S | S | * | * | | | trans | -91.5 | 163.6 | 179 | 37.7 | -34 | 0 | 0 | 0 | 112.2 | | |
| 31 | Y | 33.8 | Very low | 34.6 | Very low | 214 Ų | 214 | 153 Ų | 153 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | | -173.3 | 161.6 | 114.1 | -97.6 | -65.5 | 0 | 0 | 0 | 111.8 | | |
| 32 | L | 32.1 | Very low | 34.6 | Very low | 142 Ų | 142 | 151.9 Ų | 151.9 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | trans | -61.8 | 138.2 | -174.9 | -67.4 | 138.6 | 0 | 0 | 0 | 111.6 | | |
| 33 | I | 31.2 | Very low | 34.8 | Very low | 147 Ų | 147 | 152.2 Ų | 152.2 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | | 48.7 | 103 | 81.8 | -53.8 | 179 | 0 | 0 | 0 | 113.3 | | |
| 34 | T | 32.7 | Very low | 34.7 | Very low | 135 Ų | 135 | 150.3 Ų | 150.3 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | | | trans | -168.4 | 110 | 137.6 | 34.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 35 | D | 33.6 | Very low | 35 | Very low | 148 Ų | 148 | 149.4 Ų | 149.4 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | -71.6 | 172.1 | 140.6 | -86.7 | -56.8 | 0 | 0 | 0 | 109.2 | | |
| 36 | P | 41.5 | Very low | 35.2 | Very low | 107 Ų | 107 | 147.2 Ų | 147.2 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | | | cis | -135.1 | -172.3 | 12.5 | 42.7 | -25.4 | 0 | 0 | 0 | 115.7 | I38 | P36-I38 PolarHBondContact O-N 2.63Š|
| 37 | F | 30.8 | Very low | 35.3 | Very low | 199 Ų | 199 | 147.2 Ų | 147.2 | 87% | 0.873 | 76% | 0.755 | S | S | * | * | | | trans | -55.2 | 123.4 | 164.7 | -76.9 | -110.3 | 0 | 0 | 0 | 113.5 | | |
| 38 | I | 38.4 | Very low | 35.1 | Very low | 161 Ų | 161 | 146.9 Ų | 146.9 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | | | trans | -136.5 | 147.4 | 150.6 | -67.3 | -171.2 | 0 | 0 | 0 | 109 | P36 | P36-I38 PolarHBondContact O-N 2.63Š|
| 39 | H | 36.3 | Very low | 35.1 | Very low | 177 Ų | 177 | 141.9 Ų | 141.9 | 82% | 0.819 | 74% | 0.743 | S | S | * | * | | | trans | -74.9 | 158.6 | -176 | -109.1 | 53.3 | 0 | 0 | 0 | 114.5 | | |
| 40 | Y | 31.6 | Very low | 35.1 | Very low | 213 Ų | 213 | 138.2 Ų | 138.2 | 84% | 0.835 | 73% | 0.731 | S | S | * | * | | | trans | -55.9 | 134.8 | 172.2 | -76.8 | -104.2 | 0 | 0 | 0 | 113.4 | T42 | Y40-T42 HydrophobicContact CD1-CG2 4.47Š|
| 41 | N | 34.1 | Very low | 35.1 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | | | | -150.5 | 161.5 | 114.8 | -145.4 | -16.7 | 0 | 0 | 0 | 110.5 | | |
| 42 | T | 33.2 | Very low | 35.2 | Very low | 88 Ų | 88 | 135.7 Ų | 135.7 | 54% | 0.54 | 74% | 0.737 | S | S | . | * | | | trans | -113.1 | 171.4 | -158.8 | 64 | 0 | 0 | 0 | 0 | 115.4 | Y40 | Y40-T42 HydrophobicContact CD1-CG2 4.47Š|
| 43 | N | 36.3 | Very low | 35.1 | Very low | 137 Ų | 137 | 135 Ų | 135 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | | | trans | 89.3 | 140.3 | 164.6 | -47.9 | -20.3 | 0 | 0 | 0 | 116.6 | | |
| 44 | N | 34.6 | Very low | 35.4 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | | | cis | -174.1 | 155 | -31.3 | -120.3 | 19.3 | 0 | 0 | 0 | 109.4 | | |
| 45 | N | 38.5 | Very low | 35.2 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 63% | 0.626 | 75% | 0.745 | S | S | * | * | | | trans | 66.6 | 151.3 | 157.6 | -65.3 | 48.4 | 0 | 0 | 0 | 117.2 | | |
| 46 | D | 38.6 | Very low | 35.2 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 62% | 0.62 | 75% | 0.748 | S | S | * | * | | | cis | -159.2 | 139.5 | -8.9 | -108.1 | -12.3 | 0 | 0 | 0 | 114.1 | | |
| 47 | I | 38.6 | Very low | 34.7 | Very low | 132 Ų | 132 | 136 Ų | 136 | 68% | 0.677 | 76% | 0.756 | S | S | * | * | | | | 60.2 | 127.7 | 129.4 | -61.7 | 169.8 | 0 | 0 | 0 | 122.5 | | |
| 48 | S | 34.6 | Very low | 34.9 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | trans | 74.4 | 154.3 | 148.5 | 74.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 49 | S | 37.4 | Very low | 34.5 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | | | cis | -167 | 143.3 | -22.1 | 50.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 50 | S | 34.6 | Very low | 34.6 | Very low | 88 Ų | 88 | 132.3 Ų | 132.3 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | | | | 71.3 | 134.5 | 128.6 | 67.4 | 0 | 0 | 0 | 0 | 124.5 | | |
| 51 | T | 34.3 | Very low | 34.9 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | | | trans | 67.3 | 151.3 | 143.6 | 51.4 | 0 | 0 | 0 | 0 | 118.4 | | |
| 52 | T | 35.9 | Very low | 34.8 | Very low | 126 Ų | 126 | 130 Ų | 130 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | | | cis | -148.5 | 169.5 | 6 | -13.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 53 | T | 31.3 | Very low | 34.9 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | | | trans | -77.8 | 146.2 | 174.1 | 50.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 54 | T | 35.6 | Very low | 35 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | | | trans | -149.3 | 141.6 | 150.1 | 5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 55 | T | 29.4 | Very low | 35.3 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | | | trans | -111.6 | 133.6 | 177.4 | 49.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 56 | T | 34.7 | Very low | 35.1 | Very low | 139 Ų | 139 | 138.1 Ų | 138.1 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | trans | -148.3 | 118.5 | 163.5 | 19 | 0 | 0 | 0 | 0 | 111.1 | | |
| 57 | T | 29 | Very low | 35.1 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | | | trans | -103.5 | 124.6 | 170.3 | 48.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 58 | T | 35.1 | Very low | 35.1 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | | | trans | -149.5 | 116.8 | 162.2 | 0.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 59 | T | 31.5 | Very low | 35.1 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | -78.9 | 149.4 | 171.7 | 47.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 60 | F | 37.6 | Very low | 35.1 | Very low | 194 Ų | 194 | 144.7 Ų | 144.7 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | | | trans | -159.1 | 156.3 | 148.8 | -113.5 | -71.2 | 0 | 0 | 0 | 113.3 | | |
| 61 | N | 38.3 | Very low | 35 | Very low | 152 Ų | 152 | 145.9 Ų | 145.9 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | trans | 73.8 | 98 | 168.9 | -62.9 | -13.9 | 0 | 0 | 0 | 117.9 | | |
| 62 | E | 32.5 | Very low | 34.8 | Very low | 171 Ų | 171 | 148.9 Ų | 148.9 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | | | trans | -98.9 | -176.3 | 167.4 | -172.9 | -169.3 | -120.6 | 0 | 0 | 109.6 | | |
| 63 | Q | 34.8 | Very low | 34.7 | Very low | 159 Ų | 159 | 149.6 Ų | 149.6 | 74% | 0.743 | 82% | 0.82 | S | S | * | * | | | trans | 85.7 | 98.5 | 159.6 | -53.3 | -177.5 | 6.1 | 0 | 0 | 118.8 | | |
| 64 | T | 38.5 | Very low | 34.9 | Very low | 141 Ų | 141 | 151.4 Ų | 151.4 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | | | | -158.1 | 168.9 | 118.5 | 1.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 65 | M | 40.9 | Very low | 34.8 | Very low | 175 Ų | 175 | 152 Ų | 152 | 86% | 0.862 | 81% | 0.812 | S | S | * | * | | | trans | 66.7 | 83.3 | -179.5 | -55.6 | -53.8 | -66.9 | 0 | 0 | 115.7 | | |
| 66 | N | 33.4 | Very low | 35 | Very low | 168 Ų | 168 | 153.4 Ų | 153.4 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | | | trans | -126.4 | 105.1 | 164.1 | -153.2 | 5.1 | 0 | 0 | 0 | 107.3 | | |
| 67 | E | 39.2 | Very low | 34.7 | Very low | 160 Ų | 160 | 154.4 Ų | 154.4 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | | | trans | -149.9 | 135.3 | 169.7 | -136.9 | -170.1 | 156.1 | 0 | 0 | 112.3 | | |
| 68 | Q | 39.4 | Very low | 34.9 | Very low | 153 Ų | 153 | 152.6 Ų | 152.6 | 72% | 0.715 | 81% | 0.807 | S | S | * | * | | | trans | 67.4 | 97.1 | 171.5 | -46.6 | -164 | 9.6 | 0 | 0 | 115.9 | | |
| 69 | L | 34.3 | Very low | 34.7 | Very low | 158 Ų | 158 | 156.7 Ų | 156.7 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | | | | 72 | 125.7 | 84 | -92.8 | 68.5 | 0 | 0 | 0 | 113.1 | | |
| 70 | T | 35.8 | Very low | 34.5 | Very low | 119 Ų | 119 | 155.8 Ų | 155.8 | 73% | 0.73 | 81% | 0.807 | S | S | * | * | | | cis | -157.5 | 174.6 | 0.2 | -22.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 71 | S | 33.9 | Very low | 34.2 | Very low | 113 Ų | 113 | 151.9 Ų | 151.9 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | trans | 74.6 | 69.9 | 160.6 | -51.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 72 | Q | 29.3 | Very low | 33.8 | Very low | 187 Ų | 187 | 153.1 Ų | 153.1 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | trans | -114.7 | 164 | 141.3 | -76.8 | -167.5 | 3.1 | 0 | 0 | 109.7 | | |
| 73 | T | 33.6 | Very low | 33.7 | Very low | 141 Ų | 141 | 152.1 Ų | 152.1 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | | | trans | 73.1 | 73.9 | 173.4 | -39.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 74 | E | 35 | Very low | 33.5 | Very low | 164 Ų | 164 | 152.4 Ų | 152.4 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | | | trans | -136.5 | 153.2 | 136.1 | -140.2 | -171.7 | -120.5 | 0 | 0 | 110 | | |
| 75 | Q | 35.3 | Very low | 33.1 | Very low | 158 Ų | 158 | 151.8 Ų | 151.8 | 74% | 0.738 | 82% | 0.815 | S | S | * | * | | | trans | 65.6 | 63.9 | 167.7 | -54.4 | -178.5 | 37.8 | 0 | 0 | 117 | | |
| 76 | L | 31.9 | Very low | 32.6 | Very low | 164 Ų | 164 | 151.7 Ų | 151.7 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | | | trans | -48.7 | 149 | 130.9 | -70.2 | 164.4 | 0 | 0 | 0 | 109.5 | | |
| 77 | N | 30.2 | Very low | 32.7 | Very low | 161 Ų | 161 | 154.1 Ų | 154.1 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | | | trans | 91 | 54.1 | -178.7 | -51.6 | -37.5 | 0 | 0 | 0 | 118.3 | | |
| 78 | S | 31.9 | Very low | 32.2 | Very low | 102 Ų | 102 | 157.3 Ų | 157.3 | 71% | 0.713 | 82% | 0.823 | S | S | * | * | | | trans | -146.9 | 112.5 | 138.2 | 44.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 79 | Y | 30.2 | Very low | 31.9 | Very low | 222 Ų | 222 | 158.5 Ų | 158.5 | 87% | 0.871 | 83% | 0.833 | S | S | * | * | | | | 47.3 | 90.9 | 91.1 | -76.1 | -83.7 | 0 | 0 | 0 | 112 | | |
| 80 | S | 29.4 | Very low | 32 | Very low | 109 Ų | 109 | 159.3 Ų | 159.3 | 76% | 0.762 | 83% | 0.83 | S | S | * | * | | | | 61.2 | 72.5 | 77.6 | -164.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 81 | S | 29.7 | Very low | 31.8 | Very low | 113 Ų | 113 | 160.3 Ų | 160.3 | 79% | 0.79 | 83% | 0.83 | S | S | * | * | | | trans | -175.5 | 95.8 | 152.9 | -82.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 82 | N | 31.3 | Very low | 31.7 | Very low | 177 Ų | 177 | 162.3 Ų | 162.3 | 95% | 0.947 | 83% | 0.832 | S | S | * | * | | | trans | -149.4 | 56.6 | 164.5 | -101.5 | -32.2 | 0 | 0 | 0 | 109.4 | | |
| 83 | D | 29.8 | Very low | 31.8 | Very low | 150 Ų | 150 | 157.9 Ų | 157.9 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | | | trans | -143.5 | 159.8 | 171.6 | -153.5 | -22.1 | 0 | 0 | 0 | 108.3 | | |
| 84 | M | 30.4 | Very low | 31.7 | Very low | 166 Ų | 166 | 157.9 Ų | 157.9 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | 61.5 | 77.1 | -178.4 | -65.3 | -70.6 | -77.8 | 0 | 0 | 116.5 | M86 | M84-M86 PolarHBondContact O-N 3.31Š|
| 85 | S | 29.4 | Very low | 31.6 | Very low | 127 Ų | 127 | 157.7 Ų | 157.7 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | | | trans | -59.9 | 95.4 | 162.3 | -69.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 86 | M | 30.5 | Very low | 31.5 | Very low | 174 Ų | 174 | 158.6 Ų | 158.6 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | | | trans | -176.1 | 102.7 | 153.5 | -100.8 | -105.9 | -94.5 | 0 | 0 | 113.1 | M84 | M84-M86 PolarHBondContact O-N 3.31Š|
| 87 | K | 36.2 | Very low | 31.3 | Very low | 218 Ų | 218 | 155.6 Ų | 155.6 | 95% | 0.948 | 81% | 0.812 | S | S | * | * | | | trans | -164.5 | 148.8 | 150.9 | -106.2 | 138.5 | -172.9 | 170.4 | 0 | 113.5 | | |
| 88 | R | 28.7 | Very low | 31.5 | Very low | 228 Ų | 228 | 155.1 Ų | 155.1 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | | | trans | -78.6 | 133.2 | -171.5 | -62.7 | 162.9 | 165 | 171.5 | -7.4 | 113.8 | | |
| 89 | L | 32.6 | Very low | 31.4 | Very low | 177 Ų | 177 | 158.7 Ų | 158.7 | 93% | 0.927 | 81% | 0.813 | S | S | * | * | | | trans | -143.5 | 116.2 | 138.7 | -64.1 | 175.9 | 0 | 0 | 0 | 104.3 | | |
| 90 | K | 36.4 | Very low | 31.5 | Very low | 176 Ų | 176 | 158.1 Ų | 158.1 | 77% | 0.765 | 81% | 0.811 | S | S | * | * | | | cis | 89.5 | 105.5 | 21.8 | -146.6 | -160.5 | -177.7 | -167.1 | 0 | 113.3 | | |
| 91 | L | 31.6 | Very low | 31.5 | Very low | 140 Ų | 140 | 158.6 Ų | 158.6 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | | | trans | 68.4 | 146.9 | -170.7 | -62.9 | 106 | 0 | 0 | 0 | 113.2 | | |
| 92 | D | 32.9 | Very low | 31.7 | Very low | 155 Ų | 155 | 158.1 Ų | 158.1 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | | | cis | -106.3 | 170.4 | 13 | -86.9 | -51.9 | 0 | 0 | 0 | 116.8 | | |
| 93 | S | 30 | Very low | 31.8 | Very low | 93 Ų | 93 | 154 Ų | 154 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | | | trans | -97.9 | 145.4 | -175.4 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 94 | N | 32.7 | Very low | 32 | Very low | 142 Ų | 142 | 158 Ų | 158 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | | | | -163.5 | 137.7 | 129.4 | -105.1 | -36.8 | 0 | 0 | 0 | 115.8 | | |
| 95 | Q | 33.5 | Very low | 32.1 | Very low | 160 Ų | 160 | 154.8 Ų | 154.8 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | 71.4 | 123.1 | 146.1 | -69.4 | 170.7 | -19 | 0 | 0 | 123 | | |
| 96 | H | 33 | Very low | 32.2 | Very low | 176 Ų | 176 | 154.7 Ų | 154.7 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | | | trans | 69.3 | 85.1 | 153.1 | -67.1 | -52.7 | 0 | 0 | 0 | 121.5 | | |
| 97 | S | 27.2 | Very low | 32.2 | Very low | 101 Ų | 101 | 154 Ų | 154 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | -56.2 | 144.1 | 148.9 | -35.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 98 | I | 33.2 | Very low | 32.1 | Very low | 152 Ų | 152 | 148.7 Ų | 148.7 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | | | trans | -128.3 | 99.5 | 149.2 | -60.8 | -179.6 | 0 | 0 | 0 | 106.5 | Y100 | I98-Y100 HydrophobicContact CG2-CD2 4.19Å; I98-Y100 HydrophobicContact CG2-CE2 4.35Å |
| 99 | E | 30.5 | Very low | 32.3 | Very low | 176 Ų | 176 | 143.7 Ų | 143.7 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | trans | -78.8 | 129.1 | 171 | -71.3 | 174 | 111.5 | 0 | 0 | 109.5 | | |
| 100 | Y | 32.9 | Very low | 32.3 | Very low | 210 Ų | 210 | 143 Ų | 143 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | | | trans | -103.5 | 82 | 164.2 | -107.5 | -85.8 | 0 | 0 | 0 | 109.2 | I98 | I98-Y100 HydrophobicContact CG2-CD2 4.19Å; I98-Y100 HydrophobicContact CG2-CE2 4.35Å |
| 101 | D | 30 | Very low | 32.4 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 64% | 0.642 | 76% | 0.764 | S | S | * | * | | | trans | -64.1 | 139.8 | 168.1 | -169.2 | -8.4 | 0 | 0 | 0 | 109.5 | S103 | D101-S103 VanDerWaalsContact CG-OG 3.25Å; D101-S103 VanDerWaalsContact OD1-CB 3.22Å; D101-S103 WeakPolarHBondContact OD1-CB 3.33Å; D101-S103 PolarHBondContact OD1-N 3.35Å; D101-S103 PolarHBondContact OD1-OG 3.17Å; D101-S103 PolarHBondContact OD2-OG 2.89Å; D101-S103 VanDerWaalsContact OD2-OG 3.08Å |
| 102 | S | 33.9 | Very low | 32.5 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | | | trans | -140.9 | 35 | 173.6 | -76 | 0 | 0 | 0 | 0 | 112 | R104 | S102-R104 PolarHBondContact O-N 2.78Š|
| 103 | S | 32 | Very low | 32.9 | Very low | 92 Ų | 92 | 139.1 Ų | 139.1 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | | | trans | -66.8 | 45.4 | 164.9 | 60 | 0 | 0 | 0 | 0 | 113.4 | D101 S105 | D101-S103 VanDerWaalsContact CG-OG 3.25Å; D101-S103 VanDerWaalsContact OD1-CB 3.22Å; D101-S103 WeakPolarHBondContact OD1-CB 3.33Å; D101-S103 PolarHBondContact OD1-N 3.35Å; D101-S103 PolarHBondContact OD1-OG 3.17Å; D101-S103 PolarHBondContact OD2-OG 2.89Å; D101-S103 VanDerWaalsContact OD2-OG 3.08Å; S103-S105 PolarHBondContact O-N 2.97Å |
| 104 | R | 34.8 | Very low | 33.1 | Very low | 232 Ų | 232 | 139.8 Ų | 139.8 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | | | trans | -75.5 | 108.7 | 175.3 | -79 | -166.8 | 172.5 | -161.2 | -1.8 | 110.9 | S102 C106 | S102-R104 PolarHBondContact O-N 2.78Å; R104-C106 PolarHBondContact O-N 2.77Å |
| 105 | S | 31.7 | Very low | 33.1 | Very low | 100 Ų | 100 | 138.6 Ų | 138.6 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | trans | -64.2 | 110.3 | 176.9 | 44.4 | 0 | 0 | 0 | 0 | 112.1 | S103 N107 | S103-S105 PolarHBondContact O-N 2.97Å; S105-N107 PolarHBondContact O-N 3.45Å |
| 106 | C | 31.6 | Very low | 33.3 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | | | trans | -75.7 | 58.2 | 172.7 | -69 | 0 | 0 | 0 | 0 | 112.3 | R104 S108 | R104-C106 PolarHBondContact O-N 2.77Å; C106-S108 PolarHBondContact O-N 3.25Å |
| 107 | N | 30.2 | Very low | 33.7 | Very low | 160 Ų | 160 | 137 Ų | 137 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | | | trans | -75.5 | 74 | 167.5 | -83.1 | -10.6 | 0 | 0 | 0 | 110 | S105 | S105-N107 PolarHBondContact O-N 3.45Š|
| 108 | S | 35.6 | Very low | 34.4 | Very low | 106 Ų | 106 | 143 Ų | 143 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | | | trans | -141.8 | 114.8 | 165.6 | -168.6 | 0 | 0 | 0 | 0 | 109.8 | C106 | C106-S108 PolarHBondContact O-N 3.25Š|
| 109 | T | 32.4 | Very low | 34.5 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | trans | -67.9 | 149.4 | 172.8 | 47.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 110 | N | 33.2 | Very low | 35 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | | | trans | 88.7 | 64 | 178.6 | -48.5 | -22.6 | 0 | 0 | 0 | 116.1 | | |
| 111 | S | 36.7 | Very low | 35.3 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | | | trans | -148.7 | 127.4 | 146.1 | -172.3 | 0 | 0 | 0 | 0 | 110.1 | V113 | S111-V113 PolarHBondContact O-N 2.8Š|
| 112 | I | 34.3 | Very low | 35.8 | Very low | 174 Ų | 174 | 133.2 Ų | 133.2 | 89% | 0.892 | 75% | 0.753 | S | S | * | * | | | trans | -101.9 | 74.1 | -177.8 | -53.4 | 178.2 | 0 | 0 | 0 | 109.1 | | |
| 113 | V | 40.7 | Very low | 36.3 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 67% | 0.673 | 75% | 0.751 | S | S | * | * | | | trans | -144.4 | 121.2 | 169.1 | -171.6 | 0 | 0 | 0 | 0 | 109.4 | S111 | S111-V113 PolarHBondContact O-N 2.8Š|
| 114 | P | 35.3 | Very low | 37 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | | | trans | -66.8 | 142.5 | 171.3 | -19.8 | 33.1 | 0 | 0 | 0 | 112.1 | D116 | P114-D116 VanDerWaalsContact C-N 3.33Å; P114-D116 PolarHBondContact O-N 2.91Å |
| 115 | C | 32.3 | Very low | 37.3 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -78.8 | -6.5 | -171.1 | -65.1 | 0 | 0 | 0 | 0 | 115.7 | L117 | C115-L117 PolarHBondContact O-N 3.24Š|
| 116 | D | 38.8 | Very low | 37.8 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 80% | 0.802 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 35.1 | -166.6 | -63.6 | -45.3 | 0 | 0 | 0 | 115.9 | P114 | P114-D116 VanDerWaalsContact C-N 3.33Å; P114-D116 PolarHBondContact O-N 2.91Å |
| 117 | L | 41.4 | Very low | 38.4 | Very low | 151 Ų | 151 | 132.6 Ų | 132.6 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.8 | 11.1 | -179.9 | -75.1 | 176.8 | 0 | 0 | 0 | 115.1 | C115 N121 | C115-L117 PolarHBondContact O-N 3.24Å; L117-N121 PolarHBondContact O-ND2 3.22Å |
| 118 | R | 40 | Very low | 39.2 | Very low | 227 Ų | 227 | 130 Ų | 130 | 86% | 0.857 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -105.2 | 0.6 | -172.4 | -156 | 161.6 | 179.9 | 148.6 | -0.1 | 116 | | |
| 119 | A | 36.1 | Very low | 39.5 | Very low | 84 Ų | 84 | 128.4 Ų | 128.4 | 69% | 0.694 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -94.7 | -47.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N121 | A119-N121 VanDerWaalsContact C-N 3.28Å; A119-N121 PolarHBondContact O-N 3.41Å |
| 120 | E | 40.7 | Very low | 40.1 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -68.9 | -17.1 | -170.7 | -63.6 | -171.5 | 172.8 | 0 | 0 | 115 | N122 E123 | E120-N122 PolarHBondContact O-N 3.33Å; E120-N122 VanDerWaalsContact O-N 3.15Å; E120-E123 PolarHBondContact O-N 2.85Å |
| 121 | N | 39.1 | Very low | 40.7 | Very low | 106 Ų | 106 | 128 Ų | 128 | 57% | 0.567 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -71.3 | -9.2 | -173.6 | -69.3 | -56.2 | 0 | 0 | 0 | 114.5 | L117 A119 | L117-N121 PolarHBondContact O-ND2 3.22Å; A119-N121 VanDerWaalsContact C-N 3.28Å; A119-N121 PolarHBondContact O-N 3.41Å |
| 122 | N | 40.1 | Very low | 40.9 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 68% | 0.684 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -88.8 | -22.5 | 179.9 | -73.6 | -4.3 | 0 | 0 | 0 | 113.7 | E120 I124 | E120-N122 PolarHBondContact O-N 3.33Å; E120-N122 VanDerWaalsContact O-N 3.15Å; N122-I124 VanDerWaalsContact C-N 3.34Å; N122-I124 PolarHBondContact O-N 2.83Å |
| 123 | E | 44.3 | Very low | 41 | Very low | 143 Ų | 143 | 127.3 Ų | 127.3 | 67% | 0.668 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -33.7 | -177.1 | -62.1 | -175.2 | 142.4 | 0 | 0 | 112.1 | E120 N125 Y126 | E120-E123 PolarHBondContact O-N 2.85Å; E123-N125 PolarHBondContact O-N 3.44Å; E123-N125 VanDerWaalsContact O-N 3.13Å; E123-Y126 PolarHBondContact O-N 3.08Å |
| 124 | I | 46.9 | Very low | 41 | Very low | 112 Ų | 112 | 127 Ų | 127 | 57% | 0.574 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -61.8 | -26.1 | -174.6 | -58.6 | 175.5 | 0 | 0 | 0 | 112.7 | N122 | N122-I124 VanDerWaalsContact C-N 3.34Å; N122-I124 PolarHBondContact O-N 2.83Å |
| 125 | N | 41.5 | Very low | 41 | Very low | 113 Ų | 113 | 129 Ų | 129 | 60% | 0.604 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -85.5 | -12.6 | 177 | -85.6 | -17.4 | 0 | 0 | 0 | 114 | E123 N129 | E123-N125 PolarHBondContact O-N 3.44Å; E123-N125 VanDerWaalsContact O-N 3.13Å; N125-N129 PolarHBondContact O-ND2 2.74Å |
| 126 | Y | 42 | Very low | 41.2 | Very low | 172 Ų | 172 | 130 Ų | 130 | 68% | 0.675 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -82.2 | -45.8 | -177.6 | -119.2 | -92.4 | 0 | 0 | 0 | 112.2 | E123 I128 N129 H130 | E123-Y126 PolarHBondContact O-N 3.08Å; Y126-I128 PolarHBondContact O-N 3.3Å; Y126-N129 PolarHBondContact O-N 3.22Å; Y126-H130 PolarHBondContact O-N 3Å |
| 127 | D | 45.6 | Very low | 40.7 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 52% | 0.524 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -64.2 | -35.8 | -177.2 | -80.5 | -22.8 | 0 | 0 | 0 | 113.8 | N129 H130 Q131 | D127-N129 VanDerWaalsContact C-N 3.3Å; D127-N129 PolarHBondContact O-N 3.11Å; D127-H130 PolarHBondContact O-N 3.16Å; D127-H130 VanDerWaalsContact O-N 3.13Å; D127-Q131 PolarHBondContact O-N 3.36Å; D127-Q131 VanDerWaalsContact O-N 3.09Å |
| 128 | I | 47 | Very low | 40.6 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 53% | 0.533 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -63.7 | -37.7 | -179.9 | -61.6 | 175.8 | 0 | 0 | 0 | 110.9 | Y126 | Y126-I128 PolarHBondContact O-N 3.3Å |
| 129 | N | 41.5 | Very low | 40.4 | Very low | 73 Ų | 73 | 127.2 Ų | 127.2 | 39% | 0.39 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -77.3 | -24.1 | 176.6 | -69.5 | -77.3 | 0 | 0 | 0 | 112.2 | N125 Y126 D127 Y157 | N125-N129 PolarHBondContact O-ND2 2.74Å; Y126-N129 PolarHBondContact O-N 3.22Å; D127-N129 VanDerWaalsContact C-N 3.3Å; D127-N129 PolarHBondContact O-N 3.11Å; N129-Y157 PolarHBondContact ND2-OH 3.28Å; N129-Y157 VanDerWaalsContact ND2-OH 3.11Å; N129-Y157 PolarHBondContact OD1-OH 3.37Å |
| 130 | H | 45.1 | Very low | 40.3 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 57% | 0.569 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -82.1 | -32 | -179.1 | -119 | -63.2 | 0 | 0 | 0 | 114.2 | Y126 D127 | Y126-H130 PolarHBondContact O-N 3Å; D127-H130 PolarHBondContact O-N 3.16Å; D127-H130 VanDerWaalsContact O-N 3.13Å |
| 131 | Q | 45.4 | Very low | 40 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 72% | 0.72 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -77.7 | -23.1 | 178.6 | -66.9 | -174.8 | 28.3 | 0 | 0 | 113.7 | D127 N133 | D127-Q131 PolarHBondContact O-N 3.36Å; D127-Q131 VanDerWaalsContact O-N 3.09Å; Q131-N133 VanDerWaalsContact C-N 3.32Å; Q131-N133 PolarHBondContact O-N 3.46Å |
| 132 | L | 40.4 | Very low | 39.9 | Very low | 144 Ų | 144 | 131.6 Ų | 131.6 | 75% | 0.754 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -5.9 | 177.7 | -73.9 | 170.5 | 0 | 0 | 0 | 114.2 | | |
| 133 | N | 36.9 | Very low | 39.7 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 64% | 0.642 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | 21.7 | -166.4 | -151.7 | 14.1 | 0 | 0 | 0 | 114.6 | Q131 | Q131-N133 VanDerWaalsContact C-N 3.32Å; Q131-N133 PolarHBondContact O-N 3.46Å |
| 134 | V | 39.9 | Very low | 39.3 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 64% | 0.642 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -106.7 | -17.5 | -174.2 | 179 | 0 | 0 | 0 | 0 | 113.6 | | |
| 135 | N | 36.6 | Very low | 38.6 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -100.6 | 5.4 | -166.5 | -72 | 1.9 | 0 | 0 | 0 | 116.5 | | |
| 136 | N | 35.3 | Very low | 38.2 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 74% | 0.743 | 70% | 0.695 | S | S | * | * | | | trans | -123.6 | 35.5 | -167.6 | -75.8 | -23.3 | 0 | 0 | 0 | 115.3 | | |
| 137 | N | 29.6 | Very low | 37.8 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 79% | 0.786 | 70% | 0.701 | S | S | * | * | | | trans | -135.1 | 66.3 | -175.9 | -86.5 | -46.5 | 0 | 0 | 0 | 115 | | |
| 138 | T | 37.7 | Very low | 37.1 | Very low | 127 Ų | 127 | 134 Ų | 134 | 78% | 0.779 | 71% | 0.712 | S | S | * | * | | | trans | -149 | 133 | 162.5 | 48.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 139 | Q | 36.7 | Very low | 36.4 | Very low | 195 Ų | 195 | 136.6 Ų | 136.6 | 91% | 0.911 | 72% | 0.722 | S | S | * | * | | | trans | 68.3 | 146.8 | 178.1 | -52.5 | -178.1 | 16.7 | 0 | 0 | 115.5 | | |
| 140 | S | 34.1 | Very low | 35.9 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | | | cis | -155.9 | 161.5 | -26.8 | -167.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 141 | M | 34.8 | Very low | 35.4 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | | | trans | -35.2 | 140.3 | -177.6 | -63.1 | -64.9 | -173.2 | 0 | 0 | 119 | | |
| 142 | H | 36.3 | Very low | 34.8 | Very low | 155 Ų | 155 | 140.2 Ų | 140.2 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | | | trans | 48.7 | 129.8 | 139.5 | -63.6 | 73.8 | 0 | 0 | 0 | 118.7 | | |
| 143 | N | 35.7 | Very low | 34.4 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | | | cis | -172.8 | 163.3 | 32.2 | -120.4 | -8.5 | 0 | 0 | 0 | 112.7 | | |
| 144 | N | 36.1 | Very low | 34.3 | Very low | 125 Ų | 125 | 142 Ų | 142 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | | | trans | 64.7 | 86.1 | 151.5 | -62.7 | -14.9 | 0 | 0 | 0 | 122.1 | | |
| 145 | N | 32.1 | Very low | 34 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | | 52.6 | 133.1 | 114.1 | -60.3 | -8.3 | 0 | 0 | 0 | 123.2 | | |
| 146 | N | 32.6 | Very low | 33.8 | Very low | 154 Ų | 154 | 141 Ų | 141 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | | | trans | 73.7 | 125.2 | 158.7 | -51.5 | -21.4 | 0 | 0 | 0 | 115.4 | | |
| 147 | T | 35.5 | Very low | 33.6 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | cis | -140.1 | 154.5 | 21.9 | 48.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 148 | L | 30 | Very low | 33.8 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | | | trans | 1.4 | 141.5 | 130.4 | -100.8 | 69 | 0 | 0 | 0 | 117 | | |
| 149 | E | 31.7 | Very low | 33.7 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | | | cis | -146.5 | -179.1 | 19.1 | -58.2 | -173.2 | 127.1 | 0 | 0 | 113.7 | | |
| 150 | H | 31.1 | Very low | 33.6 | Very low | 180 Ų | 180 | 145.1 Ų | 145.1 | 83% | 0.833 | 75% | 0.748 | S | S | * | * | | | trans | 68.1 | 69.5 | 151.3 | -94.5 | -78.6 | 0 | 0 | 0 | 120.9 | | |
| 151 | V | 35 | Very low | 33.8 | Very low | 142 Ų | 142 | 147.5 Ų | 147.5 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | | | trans | -135 | 137.8 | 144.4 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 152 | S | 31.9 | Very low | 33.9 | Very low | 104 Ų | 104 | 149.3 Ų | 149.3 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | -88.9 | 111.3 | -172.8 | 44.3 | 0 | 0 | 0 | 0 | 113.8 | V154 | S152-V154 PolarHBondContact O-N 3.09Š|
| 153 | H | 32.7 | Very low | 33.9 | Very low | 177 Ų | 177 | 149.3 Ų | 149.3 | 82% | 0.819 | 76% | 0.755 | S | S | * | * | | | trans | -70.6 | 108.7 | 163.9 | -83.4 | -87 | 0 | 0 | 0 | 110.6 | T155 | H153-T155 VanDerWaalsContact C-N 3.28Å; H153-T155 PolarHBondContact O-N 2.68Å |
| 154 | V | 35 | Very low | 33.8 | Very low | 123 Ų | 123 | 149.4 Ų | 149.4 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | | | trans | -77.3 | 80.3 | 171.4 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | S152 N156 | S152-V154 PolarHBondContact O-N 3.09Å; V154-N156 PolarHBondContact O-N 3.44Å |
| 155 | T | 34.2 | Very low | 33.7 | Very low | 113 Ų | 113 | 148.9 Ų | 148.9 | 69% | 0.693 | 76% | 0.761 | S | S | * | * | | | trans | -71.8 | 88 | 168.7 | 41.8 | 0 | 0 | 0 | 0 | 109.7 | H153 Y157 | H153-T155 VanDerWaalsContact C-N 3.28Å; H153-T155 PolarHBondContact O-N 2.68Å; T155-Y157 PolarHBondContact O-N 3.07Å |
| 156 | N | 31.5 | Very low | 33.8 | Very low | 121 Ų | 121 | 151.5 Ų | 151.5 | 65% | 0.647 | 76% | 0.763 | S | S | * | * | | | trans | -75.3 | 37.8 | -176.9 | -153.1 | -4.6 | 0 | 0 | 0 | 114.3 | V154 N158 | V154-N156 PolarHBondContact O-N 3.44Å; N156-N158 PolarHBondContact O-N 3.19Å |
| 157 | Y | 31.4 | Very low | 34 | Very low | 176 Ų | 176 | 149.2 Ų | 149.2 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 43.2 | 171.8 | -103.3 | -84.9 | 0 | 0 | 0 | 111.1 | N129 T155 | N129-Y157 PolarHBondContact ND2-OH 3.28Å; N129-Y157 VanDerWaalsContact ND2-OH 3.11Å; N129-Y157 PolarHBondContact OD1-OH 3.37Å; T155-Y157 PolarHBondContact O-N 3.07Å |
| 158 | N | 34.2 | Very low | 34.1 | Very low | 120 Ų | 120 | 150.8 Ų | 150.8 | 64% | 0.642 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.6 | 6.2 | -176.5 | -109 | -44.7 | 0 | 0 | 0 | 117.1 | N156 W160 | N156-N158 PolarHBondContact O-N 3.19Å; N158-W160 VanDerWaalsContact C-N 3.29Å; N158-W160 PolarHBondContact O-N 3.29Å |
| 159 | F | 34.1 | Very low | 34.3 | Very low | 178 Ų | 178 | 151.8 Ų | 151.8 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -15.3 | -176.3 | -158.1 | -103.4 | 0 | 0 | 0 | 115 | | |
| 160 | W | 36.2 | Very low | 34.5 | Very low | 220 Ų | 220 | 149.5 Ų | 149.5 | 83% | 0.833 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -8.2 | -174.9 | -96.3 | 99.3 | 0 | 0 | 0 | 116.1 | N158 | N158-W160 VanDerWaalsContact C-N 3.29Å; N158-W160 PolarHBondContact O-N 3.29Å |
| 161 | H | 37.4 | Very low | 34.6 | Very low | 163 Ų | 163 | 150.9 Ų | 150.9 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 6.5 | -173.5 | -92.8 | -77.1 | 0 | 0 | 0 | 116 | | |
| 162 | K | 37.2 | Very low | 34.6 | Very low | 188 Ų | 188 | 151.7 Ų | 151.7 | 82% | 0.817 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 10.3 | -172.7 | -131.2 | 175.1 | -174.8 | 178.9 | 0 | 116.9 | | |
| 163 | L | 36.1 | Very low | 34.7 | Very low | 156 Ų | 156 | 154.7 Ų | 154.7 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -125.2 | -1.1 | 176.1 | -76.2 | 175 | 0 | 0 | 0 | 115.4 | | |
| 164 | N | 33.6 | Very low | 34.8 | Very low | 127 Ų | 127 | 150.9 Ų | 150.9 | 68% | 0.679 | 74% | 0.74 | S | S | * | * | | | trans | -107 | 42.9 | 176.3 | -80.2 | -23.1 | 0 | 0 | 0 | 112.7 | Y166 | N164-Y166 PolarHBondContact O-N 3.32Š|
| 165 | S | 34.4 | Very low | 34.5 | Very low | 114 Ų | 114 | 153.7 Ų | 153.7 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | | | trans | -77.8 | 60.9 | 168.2 | -60.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 166 | Y | 33.8 | Very low | 34.5 | Very low | 192 Ų | 192 | 154.4 Ų | 154.4 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | | | trans | -113.8 | 136.4 | 166.3 | -86.6 | -90.8 | 0 | 0 | 0 | 109 | N164 I168 | N164-Y166 PolarHBondContact O-N 3.32Å; Y166-I168 PolarHBondContact O-N 3.03Å |
| 167 | P | 38 | Very low | 34.8 | Very low | 105 Ų | 105 | 155.5 Ų | 155.5 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | | | trans | -70.7 | 117.7 | -169.4 | 27 | -34.4 | 0 | 0 | 0 | 112.1 | F169 | P167-F169 HydrophobicContact CG-CE2 4.47Å; P167-F169 PolarHBondContact O-N 2.96Å |
| 168 | I | 36.7 | Very low | 34.7 | Very low | 163 Ų | 163 | 155.9 Ų | 155.9 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | | | trans | -77.4 | 103 | 167.7 | -60 | 175.1 | 0 | 0 | 0 | 107.7 | Y166 P170 | Y166-I168 PolarHBondContact O-N 3.03Å; I168-P170 WeakPolarHBondContact O-CD 3.5Å |
| 169 | F | 33.1 | Very low | 34.8 | Very low | 168 Ų | 168 | 157.5 Ų | 157.5 | 74% | 0.737 | 78% | 0.779 | S | S | * | * | | | trans | -71.8 | 124.9 | 172.9 | -91 | -88.3 | 0 | 0 | 0 | 111 | P167 Y171 | P167-F169 HydrophobicContact CG-CE2 4.47Å; P167-F169 PolarHBondContact O-N 2.96Å; F169-Y171 PolarHBondContact O-N 3.17Å |
| 170 | P | 37.8 | Very low | 34.6 | Very low | 109 Ų | 109 | 153.4 Ų | 153.4 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | | | trans | -83.8 | 105.5 | 178.7 | 32 | -32.5 | 0 | 0 | 0 | 111.3 | I168 H172 | I168-P170 WeakPolarHBondContact O-CD 3.5Å; P170-H172 PolarHBondContact O-N 3.17Å; P170-H172 VanDerWaalsContact O-N 3.08Å |
| 171 | Y | 31.7 | Very low | 34.6 | Very low | 210 Ų | 210 | 148.7 Ų | 148.7 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | | | trans | -77.6 | 92.8 | 171.3 | -104.7 | -83.8 | 0 | 0 | 0 | 111.4 | F169 H173 | F169-Y171 PolarHBondContact O-N 3.17Å; Y171-H173 PolarHBondContact O-N 2.79Å |
| 172 | H | 35.9 | Very low | 34.5 | Very low | 158 Ų | 158 | 147.7 Ų | 147.7 | 73% | 0.731 | 77% | 0.769 | S | S | * | * | | | trans | -75.3 | 104.7 | 171.5 | -125 | -99.8 | 0 | 0 | 0 | 110.1 | P170 T174 | P170-H172 PolarHBondContact O-N 3.17Å; P170-H172 VanDerWaalsContact O-N 3.08Å; H172-T174 PolarHBondContact O-N 3.48Å |
| 173 | H | 32.7 | Very low | 34.4 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | trans | -86.7 | 80 | 169.4 | -104.2 | -55.6 | 0 | 0 | 0 | 110.8 | Y171 | Y171-H173 PolarHBondContact O-N 2.79Š|
| 174 | T | 35.6 | Very low | 34.4 | Very low | 97 Ų | 97 | 142.5 Ų | 142.5 | 60% | 0.595 | 76% | 0.759 | S | S | * | * | | | trans | -79.9 | 117 | 167 | 49.7 | 0 | 0 | 0 | 0 | 110.1 | H172 T176 | H172-T174 PolarHBondContact O-N 3.48Å; T174-T176 PolarHBondContact O-N 3.09Å |
| 175 | M | 28.1 | Very low | 34.7 | Very low | 183 Ų | 183 | 141.7 Ų | 141.7 | 90% | 0.901 | 76% | 0.759 | S | S | * | * | | | trans | -78.3 | 109.3 | 169.6 | -74.6 | -71.7 | 179 | 0 | 0 | 109.8 | | |
| 176 | T | 36 | Very low | 34.8 | Very low | 128 Ų | 128 | 143 Ų | 143 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | -131.5 | 139.4 | 168.6 | 35.7 | 0 | 0 | 0 | 0 | 110.3 | T174 | T174-T176 PolarHBondContact O-N 3.09Š|
| 177 | T | 36.3 | Very low | 35 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | | | trans | -85.3 | 150.2 | -168.2 | 43.1 | 0 | 0 | 0 | 0 | 113.1 | N179 | T177-N179 PolarHBondContact O-N 3.36Š|
| 178 | H | 30.5 | Very low | 35 | Very low | 184 Ų | 184 | 140.1 Ų | 140.1 | 85% | 0.852 | 75% | 0.749 | S | S | * | * | | | trans | -65.6 | 130.5 | 178.4 | -67.2 | -81.4 | 0 | 0 | 0 | 113.2 | | |
| 179 | N | 35.4 | Very low | 35 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | | | trans | -162.6 | 120.5 | 138 | -92.3 | -38.3 | 0 | 0 | 0 | 106 | T177 | T177-N179 PolarHBondContact O-N 3.36Š|
| 180 | S | 29.6 | Very low | 35.1 | Very low | 92 Ų | 92 | 137.7 Ų | 137.7 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | | | cis | 119.1 | 138.4 | 35.6 | -85.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 181 | T | 37 | Very low | 34.9 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | | | trans | 79.1 | 118.2 | 173.4 | 69.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 182 | N | 34.1 | Very low | 35.1 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | | | | 67.5 | 143.6 | 128.1 | -56.4 | -0.4 | 0 | 0 | 0 | 119.7 | | |
| 183 | T | 36.3 | Very low | 35 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 71% | 0.712 | 75% | 0.749 | S | S | * | * | | | cis | -161.1 | 160.7 | 1.9 | 2.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 184 | T | 35.7 | Very low | 35 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | | | trans | 7.8 | 148.3 | 150.2 | 53.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 185 | T | 39.3 | Very low | 34.9 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 68% | 0.681 | 76% | 0.756 | S | S | * | * | | | cis | -173.4 | 158.8 | 34.8 | -13.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 186 | N | 36.3 | Very low | 35.1 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | | | trans | 58.5 | 154.2 | 146.7 | -79.3 | -6.5 | 0 | 0 | 0 | 121.7 | | |
| 187 | N | 38.2 | Very low | 34.9 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 65% | 0.652 | 75% | 0.748 | S | S | * | * | | | cis | -164.3 | 165.6 | -31.4 | -151.1 | 3.7 | 0 | 0 | 0 | 111 | | |
| 188 | N | 37.8 | Very low | 34.7 | Very low | 113 Ų | 113 | 141.4 Ų | 141.4 | 60% | 0.604 | 75% | 0.746 | S | S | * | * | | | trans | 61.3 | 101 | 155.6 | -66.1 | -17.8 | 0 | 0 | 0 | 121.7 | | |
| 189 | N | 36.5 | Very low | 34.9 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | | 73.9 | 145.5 | 118 | -60.7 | -5.5 | 0 | 0 | 0 | 123 | | |
| 190 | N | 35.6 | Very low | 34.9 | Very low | 144 Ų | 144 | 141.4 Ų | 141.4 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | | | trans | 62 | 85 | 159.5 | -60.5 | -0.3 | 0 | 0 | 0 | 117.4 | | |
| 191 | N | 34.8 | Very low | 35 | Very low | 155 Ų | 155 | 147.3 Ų | 147.3 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | | | | -162.8 | 164.4 | 119 | -103.9 | -43 | 0 | 0 | 0 | 113.3 | | |
| 192 | N | 34.8 | Very low | 34.8 | Very low | 140 Ų | 140 | 149.9 Ų | 149.9 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | | | trans | -56.7 | 130.4 | -179.7 | -52 | -56.2 | 0 | 0 | 0 | 112.4 | | |
| 193 | H | 35.1 | Very low | 34.7 | Very low | 164 Ų | 164 | 147.7 Ų | 147.7 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | | | | 173.9 | 149.1 | 122 | -105.4 | -91 | 0 | 0 | 0 | 112.1 | | |
| 194 | I | 32.7 | Very low | 34.4 | Very low | 160 Ų | 160 | 149.2 Ų | 149.2 | 82% | 0.821 | 75% | 0.749 | S | S | * | * | | | trans | 52.9 | 94.2 | 153.5 | -57.5 | 159.3 | 0 | 0 | 0 | 115.7 | | |
| 195 | S | 31.8 | Very low | 34.3 | Very low | 101 Ų | 101 | 149.3 Ų | 149.3 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | | | trans | -145.4 | 143.5 | 163.2 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 196 | N | 32.4 | Very low | 33.8 | Very low | 122 Ų | 122 | 147.8 Ų | 147.8 | 65% | 0.652 | 75% | 0.748 | S | S | * | * | | | trans | 55.5 | 54.5 | 167.1 | -61.9 | 6.2 | 0 | 0 | 0 | 118 | | |
| 197 | Y | 31.7 | Very low | 33.7 | Very low | 219 Ų | 219 | 150.8 Ų | 150.8 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -87.8 | 137.7 | 135.2 | -133.6 | -96.9 | 0 | 0 | 0 | 107.3 | | |
| 198 | Y | 32.1 | Very low | 33.5 | Very low | 212 Ų | 212 | 155.8 Ų | 155.8 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 65.6 | 68.2 | -163.3 | -65.4 | -87.5 | 0 | 0 | 0 | 115.4 | | |
| 199 | D | 35.2 | Very low | 33.1 | Very low | 108 Ų | 108 | 161.1 Ų | 161.1 | 58% | 0.578 | 78% | 0.778 | S | S | * | * | | | trans | -146.5 | 73.9 | 147.3 | -128.4 | -25.2 | 0 | 0 | 0 | 112.6 | | |
| 200 | R | 35.4 | Very low | 33.1 | Very low | 230 Ų | 230 | 160.1 Ų | 160.1 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -151.1 | 120.4 | 167.6 | -141.4 | 172.3 | -167 | 159.7 | 4.8 | 107.4 | | |
| 201 | Y | 32.1 | Very low | 33.1 | Very low | 217 Ų | 217 | 161.5 Ų | 161.5 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 70.1 | 59.5 | -170.4 | -55 | -82.7 | 0 | 0 | 0 | 116.9 | | |
| 202 | M | 32.6 | Very low | 33.2 | Very low | 174 Ų | 174 | 160.4 Ų | 160.4 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | | | trans | -168.2 | 73.5 | 133.6 | -91.3 | -40.5 | 144.4 | 0 | 0 | 112.1 | | |
| 203 | C | 32.3 | Very low | 33.3 | Very low | 97 Ų | 97 | 158.1 Ų | 158.1 | 66% | 0.655 | 78% | 0.776 | S | S | * | * | | | trans | -146.6 | 160.5 | 164.2 | -94.8 | 0 | 0 | 0 | 0 | 110 | | |
| 204 | N | 30.2 | Very low | 33.3 | Very low | 149 Ų | 149 | 157.4 Ų | 157.4 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | 66.1 | 89.2 | -162.8 | -54.8 | -18.8 | 0 | 0 | 0 | 111.2 | | |
| 205 | T | 32.5 | Very low | 33.4 | Very low | 120 Ų | 120 | 157.4 Ų | 157.4 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | cis | 55.9 | 95.7 | 19.8 | 65.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 206 | A | 30.2 | Very low | 33.8 | Very low | 79 Ų | 79 | 158.2 Ų | 158.2 | 65% | 0.653 | 78% | 0.783 | S | S | * | * | | | trans | 66.4 | 154.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 207 | F | 34.6 | Very low | 34 | Very low | 205 Ų | 205 | 156 Ų | 156 | 90% | 0.899 | 78% | 0.781 | S | S | * | * | | | cis | -125.2 | 168.9 | 22.6 | -98.1 | -101.1 | 0 | 0 | 0 | 115.5 | | |
| 208 | R | 33.2 | Very low | 34.2 | Very low | 226 Ų | 226 | 155.6 Ų | 155.6 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 151.3 | 167.4 | -60.3 | 175.5 | 178.7 | -178.4 | -1.4 | 110.2 | P210 | R208-P210 WeakPolarHBondContact O-CD 3.46Š|
| 209 | Y | 29.3 | Very low | 34.3 | Very low | 226 Ų | 226 | 152.2 Ų | 152.2 | 89% | 0.886 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 124.7 | 158.9 | -90.5 | -94.7 | 0 | 0 | 0 | 110.3 | | |
| 210 | P | 37.5 | Very low | 34.4 | Very low | 115 Ų | 115 | 154.1 Ų | 154.1 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 134.8 | 164 | -12.9 | 29.4 | 0 | 0 | 0 | 109.4 | R208 | R208-P210 WeakPolarHBondContact O-CD 3.46Š|
| 211 | H | 34.7 | Very low | 34.4 | Very low | 173 Ų | 173 | 147.6 Ų | 147.6 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 129.7 | 164.3 | -98.2 | -96.9 | 0 | 0 | 0 | 109.3 | S213 | H211-S213 PolarHBondContact O-N 3.45Å; H211-S213 VanDerWaalsContact O-N 3.16Å |
| 212 | P | 37.1 | Very low | 34.6 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | | | trans | -74.4 | 102.6 | 164.5 | 29.9 | -31.3 | 0 | 0 | 0 | 108.8 | | |
| 213 | S | 37.2 | Very low | 34.9 | Very low | 91 Ų | 91 | 144.3 Ų | 144.3 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | | | trans | -121.6 | 120.1 | 175.1 | 64 | 0 | 0 | 0 | 0 | 112.3 | H211 | H211-S213 PolarHBondContact O-N 3.45Å; H211-S213 VanDerWaalsContact O-N 3.16Å |
| 214 | N | 35.2 | Very low | 35.5 | Very low | 149 Ų | 149 | 145.7 Ų | 145.7 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | 69.3 | 99.3 | 152.6 | -58.6 | -11.7 | 0 | 0 | 0 | 119.7 | | |
| 215 | N | 33.9 | Very low | 36.4 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | | | | 78.5 | 159.5 | 125 | -89.7 | 2.3 | 0 | 0 | 0 | 120.7 | | |
| 216 | P | 40 | Very low | 36.5 | Very low | 118 Ų | 118 | 147.7 Ų | 147.7 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | trans | -126.7 | 175.8 | -140.6 | 44.2 | -31.6 | 0 | 0 | 0 | 114.9 | | |
| 217 | A | 36.8 | Very low | 37 | Very low | 76 Ų | 76 | 150 Ų | 150 | 63% | 0.628 | 78% | 0.781 | S | S | * | * | | | trans | -154.2 | 129.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 218 | Y | 36.5 | Very low | 37.1 | Very low | 211 Ų | 211 | 144.4 Ų | 144.4 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | | | trans | 61 | 112.7 | 159.4 | -52.9 | -57.9 | 0 | 0 | 0 | 118.8 | | |
| 219 | N | 32.9 | Very low | 37.5 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | | | | 75.3 | 137 | 85.9 | -97.5 | -18.3 | 0 | 0 | 0 | 113.7 | | |
| 220 | L | 37.3 | Very low | 37.9 | Very low | 148 Ų | 148 | 133.2 Ų | 133.2 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | | | cis | -135.2 | 167.6 | 19.4 | -74.5 | 92.2 | 0 | 0 | 0 | 114.7 | | |
| 221 | S | 36.4 | Very low | 38 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | | | trans | -3.9 | 152.2 | 154 | 62.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 222 | I | 37 | Very low | 38.3 | Very low | 159 Ų | 159 | 132 Ų | 132 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | | | cis | -145 | 151.6 | 47.2 | -70.1 | 171.2 | 0 | 0 | 0 | 112.8 | | |
| 223 | F | 38.2 | Very low | 38.3 | Very low | 162 Ų | 162 | 131.3 Ų | 131.3 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | trans | -95 | 165.1 | 179.2 | -83.7 | -92.1 | 0 | 0 | 0 | 113.7 | | |
| 224 | P | 45.9 | Very low | 38.1 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | | -114.3 | 164.4 | 97.9 | -10.8 | 29.7 | 0 | 0 | 0 | 115 | | |
| 225 | P | 47.1 | Very low | 38 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | trans | -111.2 | 167.8 | -153.3 | 41.1 | -35.7 | 0 | 0 | 0 | 117.8 | | |
| 226 | Y | 36.1 | Very low | 38.1 | Very low | 202 Ų | 202 | 137.7 Ų | 137.7 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | | | trans | -62.7 | 170.9 | 162.4 | -71 | -101 | 0 | 0 | 0 | 112.7 | | |
| 227 | P | 40.5 | Very low | 37.9 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | | | | -136 | 155 | 95.7 | 38 | -28.3 | 0 | 0 | 0 | 114.6 | | |
| 228 | A | 36.1 | Very low | 38 | Very low | 88 Ų | 88 | 141.5 Ų | 141.5 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | trans | -129.7 | 111.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 229 | T | 41 | Very low | 38.2 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | | | trans | -156.9 | 147.6 | 170.8 | 51.6 | 0 | 0 | 0 | 0 | 106.5 | | |
| 230 | G | 38.4 | Very low | 38.6 | Very low | 72 Ų | 72 | 137.1 Ų | 137.1 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | | | cis | -168.4 | -172.6 | 2.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 231 | V | 39.4 | Very low | 38.7 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 87% | 0.873 | 74% | 0.741 | S | S | * | * | | | trans | -98.8 | -174.1 | -168.7 | -142.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 232 | P | 41.1 | Very low | 38.8 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | | | | -103.1 | 171.2 | -114.8 | 41.2 | -28.7 | 0 | 0 | 0 | 115.1 | | |
| 233 | S | 36.7 | Very low | 38.9 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | trans | -163.1 | 173.3 | 135.4 | -154.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 234 | H | 33.6 | Very low | 39 | Very low | 157 Ų | 157 | 136.7 Ų | 136.7 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | trans | -68.1 | 173.4 | 175.4 | -75.3 | -124.3 | 0 | 0 | 0 | 114.6 | | |
| 235 | Y | 32.9 | Very low | 38.6 | Very low | 187 Ų | 187 | 139.8 Ų | 139.8 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | | | trans | 98.8 | 135.8 | 130.3 | -101.2 | -57.2 | 0 | 0 | 0 | 120.1 | | |
| 236 | Y | 35.6 | Very low | 38.3 | Very low | 190 Ų | 190 | 137.5 Ų | 137.5 | 75% | 0.745 | 74% | 0.735 | S | S | * | * | | | trans | 61.2 | 130.4 | 174.5 | -66.2 | -91.3 | 0 | 0 | 0 | 117.2 | | |
| 237 | H | 36.9 | Very low | 38.4 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 64% | 0.644 | 74% | 0.738 | S | S | * | * | | | cis | 95.5 | 103.6 | 27 | 170.8 | 94.3 | 0 | 0 | 0 | 114.5 | | |
| 238 | H | 38.2 | Very low | 38.4 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 62% | 0.62 | 73% | 0.726 | S | S | * | * | | | trans | -172.6 | 125.6 | 137.4 | -111 | 22.8 | 0 | 0 | 0 | 109.2 | | |
| 239 | Q | 41.4 | Very low | 38.4 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 59% | 0.589 | 73% | 0.726 | S | S | * | * | | | | 85.2 | 152.1 | 102.9 | -77.6 | -173.1 | -2.7 | 0 | 0 | 114.2 | | |
| 240 | Q | 40.7 | Very low | 38.1 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 63% | 0.631 | 72% | 0.72 | S | S | * | * | | | cis | -152.5 | 123.1 | 9.9 | -138.6 | 169.8 | 46.7 | 0 | 0 | 112.9 | | |
| 241 | Q | 38.6 | Very low | 38.1 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 72% | 0.715 | 73% | 0.726 | S | S | * | * | | | trans | 54.9 | 167.4 | 144 | -53.9 | 170.6 | 10.3 | 0 | 0 | 119.4 | | |
| 242 | Q | 40 | Very low | 37.8 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 67% | 0.668 | 72% | 0.718 | S | S | * | * | | | cis | -144.5 | 158.8 | 18.5 | -73 | 179.7 | -3.9 | 0 | 0 | 113.5 | | |
| 243 | H | 38.7 | Very low | 37.5 | Very low | 165 Ų | 165 | 142.8 Ų | 142.8 | 76% | 0.764 | 72% | 0.722 | S | S | * | * | | | trans | 68.7 | 143.6 | 157.9 | -60.2 | 162.6 | 0 | 0 | 0 | 119.8 | | |
| 244 | S | 39 | Very low | 37.5 | Very low | 91 Ų | 91 | 141.4 Ų | 141.4 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | | | cis | -164.2 | 137.8 | -14.1 | -98.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 245 | Q | 37.8 | Very low | 37.6 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 90% | 0.897 | 71% | 0.714 | S | S | * | * | | | trans | 54 | 149.1 | 154.6 | -61.3 | -177.4 | -16.6 | 0 | 0 | 120.2 | | |
| 246 | G | 40.9 | Very low | 37.6 | Very low | 60 Ų | 60 | 140.6 Ų | 140.6 | 62% | 0.619 | 72% | 0.716 | S | S | * | * | | | cis | -152.4 | 150.8 | -5.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 247 | E | 39.3 | Very low | 37.4 | Very low | 183 Ų | 183 | 135.9 Ų | 135.9 | 86% | 0.855 | 71% | 0.711 | S | S | * | * | | | | 67.1 | 138.3 | 102.9 | -68 | -173.5 | -159.8 | 0 | 0 | 116.5 | | |
| 248 | S | 39.7 | Very low | 37.2 | Very low | 81 Ų | 81 | 135.8 Ų | 135.8 | 57% | 0.566 | 72% | 0.715 | S | S | * | * | | | cis | -167.2 | 172 | -17.5 | 55.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 249 | N | 36.7 | Very low | 37 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | | | trans | 70.4 | 124.8 | 165.2 | -55.2 | -33.7 | 0 | 0 | 0 | 116.1 | | |
| 250 | I | 34.8 | Very low | 36.6 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | | | cis | 63.5 | 112.2 | 32.7 | -42.4 | 174.5 | 0 | 0 | 0 | 109.9 | | |
| 251 | M | 37.4 | Very low | 36.6 | Very low | 176 Ų | 176 | 138 Ų | 138 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | | | | -160.9 | 176.9 | 60.4 | -155.7 | 142.7 | 59.5 | 0 | 0 | 112.9 | | |
| 252 | S | 33.4 | Very low | 36.4 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | | | trans | -91.2 | 137.9 | -178.6 | 55.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 253 | E | 35.7 | Very low | 36.1 | Very low | 183 Ų | 183 | 136.5 Ų | 136.5 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | | | trans | -167.5 | 133 | 138.4 | -103.9 | 168.3 | -161 | 0 | 0 | 106.9 | | |
| 254 | S | 35.6 | Very low | 36.1 | Very low | 87 Ų | 87 | 136.5 Ų | 136.5 | 61% | 0.608 | 75% | 0.746 | S | S | * | * | | | cis | 101.4 | 131 | 47.7 | 109.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 255 | K | 36.4 | Very low | 35.7 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | | | trans | 70.7 | 121.2 | 156.9 | -68.8 | 173.7 | -178.4 | 169.1 | 0 | 121.2 | | |
| 256 | L | 32.5 | Very low | 35.6 | Very low | 147 Ų | 147 | 136.4 Ų | 136.4 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | | | | 73.6 | 102.6 | 127.5 | -64.2 | 171.3 | 0 | 0 | 0 | 121 | | |
| 257 | S | 30.6 | Very low | 35.3 | Very low | 91 Ų | 91 | 137.5 Ų | 137.5 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | | | | 86.7 | 162.3 | 114.8 | 77.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 258 | N | 33.6 | Very low | 35 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | | | trans | 81.4 | 98.1 | 155.8 | -61.9 | -15.1 | 0 | 0 | 0 | 120.1 | | |
| 259 | T | 34.6 | Very low | 34.9 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | | | | 96.8 | 132.3 | 119.2 | -55.6 | 0 | 0 | 0 | 0 | 118.7 | | |
| 260 | F | 32.1 | Very low | 34.7 | Very low | 185 Ų | 185 | 138.8 Ų | 138.8 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | | | trans | -62.6 | 162.7 | 171.7 | -76.5 | -97.1 | 0 | 0 | 0 | 112.6 | | |
| 261 | P | 42.1 | Very low | 34.9 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | | | | -121.5 | 160.3 | 113.2 | 35.3 | -34 | 0 | 0 | 0 | 113.3 | | |
| 262 | S | 34.1 | Very low | 34.7 | Very low | 73 Ų | 73 | 136.4 Ų | 136.4 | 51% | 0.51 | 76% | 0.761 | S | S | . | * | | | trans | -124.7 | -173.9 | 179.7 | 54.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 263 | F | 33.4 | Very low | 35.1 | Very low | 191 Ų | 191 | 137.5 Ų | 137.5 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | | | trans | 75.9 | 154 | 179.1 | -40.5 | -66.9 | 0 | 0 | 0 | 113.1 | | |
| 264 | I | 37.6 | Very low | 34.9 | Very low | 164 Ų | 164 | 136 Ų | 136 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | | | cis | -132.9 | 155.5 | 24.6 | -69.4 | 171 | 0 | 0 | 0 | 112.4 | | |
| 265 | N | 30.8 | Very low | 35.1 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | | | trans | -84.5 | 144 | 175.9 | -66.2 | -41.4 | 0 | 0 | 0 | 114.2 | | |
| 266 | V | 36.8 | Very low | 35.1 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -153 | 114.9 | 136.5 | -173.6 | 0 | 0 | 0 | 0 | 105.8 | | |
| 267 | S | 34.6 | Very low | 35.3 | Very low | 84 Ų | 84 | 134.7 Ų | 134.7 | 59% | 0.587 | 76% | 0.764 | S | S | * | * | | | cis | 90.3 | 98.5 | 30.4 | 84 | 0 | 0 | 0 | 0 | 116.1 | | |
| 268 | Q | 33.2 | Very low | 35.4 | Very low | 184 Ų | 184 | 137.1 Ų | 137.1 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | | | trans | 70 | 151.2 | 159.1 | -52.1 | 172.5 | 5.9 | 0 | 0 | 114.8 | | |
| 269 | T | 36.3 | Very low | 35.7 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | | | cis | -142.2 | 170.8 | 31.8 | 43.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 270 | S | 33.7 | Very low | 35.4 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | -83.8 | 155.7 | 173.2 | 54.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 271 | L | 37.9 | Very low | 35.7 | Very low | 166 Ų | 166 | 136 Ų | 136 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | | | trans | -168.1 | 136.1 | 138.2 | -107.3 | 161.9 | 0 | 0 | 0 | 113.1 | | |
| 272 | S | 34.9 | Very low | 35.4 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | -131.3 | 153.7 | 157.6 | -52.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 273 | P | 40.9 | Very low | 35.5 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | | -151 | 173.9 | 107.8 | 38 | -20.6 | 0 | 0 | 0 | 116.4 | | |
| 274 | L | 31.1 | Very low | 35.5 | Very low | 153 Ų | 153 | 136.9 Ų | 136.9 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | | | trans | -78.6 | 145.5 | 175.8 | 174.2 | 71.3 | 0 | 0 | 0 | 113.3 | | |
| 275 | V | 39.7 | Very low | 35.3 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | trans | -143.5 | 162.6 | 161.2 | -172.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 276 | T | 35.9 | Very low | 35.4 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 60% | 0.595 | 78% | 0.782 | S | S | * | * | | | | -148.8 | 164.3 | -101.6 | -48.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 277 | M | 37.6 | Very low | 35.4 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | | | trans | 78.1 | 128.7 | 170.2 | -55.8 | -53 | 175.1 | 0 | 0 | 116.6 | | |
| 278 | N | 33 | Very low | 35.4 | Very low | 141 Ų | 141 | 139.3 Ų | 139.3 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | | | | 67 | 131.2 | 64.7 | -84.6 | -16.3 | 0 | 0 | 0 | 112.7 | | |
| 279 | T | 39.2 | Very low | 35.4 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | | | cis | -145.3 | 175.3 | 37.1 | 46.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 280 | N | 28.7 | Very low | 35.5 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | | | trans | -84.5 | 147.7 | 175.7 | -58.1 | -36.4 | 0 | 0 | 0 | 113.9 | | |
| 281 | T | 37.8 | Very low | 35.6 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | | | trans | -153.2 | 143.5 | 147.7 | 6.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 282 | T | 37.3 | Very low | 35.7 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | -72.1 | 141.2 | -168.6 | 46.9 | 0 | 0 | 0 | 0 | 118.1 | | |
| 283 | N | 34.5 | Very low | 35.7 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | | | trans | 23.1 | 146.8 | 134.6 | -64.5 | 1.1 | 0 | 0 | 0 | 123.5 | | |
| 284 | N | 33.1 | Very low | 35.6 | Very low | 142 Ų | 142 | 137.3 Ų | 137.3 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | | | trans | 73.1 | 130 | 160 | -54.8 | -19.4 | 0 | 0 | 0 | 115.3 | | |
| 285 | L | 34.6 | Very low | 35.8 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | | | cis | -151.4 | 178.4 | 47.1 | -107.1 | 114.7 | 0 | 0 | 0 | 115.1 | | |
| 286 | H | 32.4 | Very low | 35.9 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | | | trans | -36.3 | 152.2 | 168.9 | -86.3 | -127.7 | 0 | 0 | 0 | 117.5 | | |
| 287 | I | 36.5 | Very low | 35.8 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 86% | 0.862 | 78% | 0.776 | S | S | * | * | | | | -166.9 | 153.5 | 112.2 | -98.7 | 157.8 | 0 | 0 | 0 | 112.9 | | |
| 288 | S | 34.4 | Very low | 35.8 | Very low | 88 Ų | 88 | 137.4 Ų | 137.4 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | | | trans | -71.5 | 159.6 | -169.7 | -40.4 | 0 | 0 | 0 | 0 | 117.1 | | |
| 289 | N | 34.6 | Very low | 35.9 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | | | | 159 | 113.3 | 125.4 | -76.5 | -24.8 | 0 | 0 | 0 | 109.3 | | |
| 290 | A | 37 | Very low | 35.6 | Very low | 89 Ų | 89 | 138.3 Ų | 138.3 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | | | | 71.2 | 126.5 | 69.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 291 | L | 37.1 | Very low | 36 | Very low | 153 Ų | 153 | 136 Ų | 136 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | | | trans | -175.7 | 144.2 | 137 | -101.4 | -172.6 | 0 | 0 | 0 | 115.2 | | |
| 292 | F | 38.8 | Very low | 36 | Very low | 182 Ų | 182 | 136.7 Ų | 136.7 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | | | trans | 71.1 | 153 | 160.8 | -79.5 | -67.4 | 0 | 0 | 0 | 123.1 | | |
| 293 | S | 35.1 | Very low | 36 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | | | trans | -150.4 | -173.5 | -150.6 | -39.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 294 | S | 38.2 | Very low | 36.3 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | 92.5 | 148.8 | 160.7 | 88.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 295 | H | 37.2 | Very low | 36.4 | Very low | 153 Ų | 153 | 132.6 Ų | 132.6 | 71% | 0.708 | 75% | 0.751 | S | S | * | * | | | cis | -156.9 | 156.7 | 2.5 | -137.6 | -14.2 | 0 | 0 | 0 | 114.8 | | |
| 296 | M | 41.9 | Very low | 36.5 | Very low | 160 Ų | 160 | 129 Ų | 129 | 79% | 0.788 | 74% | 0.744 | S | S | * | * | | | trans | 76.9 | 162.4 | 155.9 | -62.7 | -49.1 | -168.9 | 0 | 0 | 120.2 | | |
| 297 | N | 33.9 | Very low | 36.8 | Very low | 151 Ų | 151 | 127.1 Ų | 127.1 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | | | trans | -159 | 176.1 | -152 | -172.8 | 19.6 | 0 | 0 | 0 | 110.1 | | |
| 298 | S | 36.2 | Very low | 36.9 | Very low | 76 Ų | 76 | 125.5 Ų | 125.5 | 53% | 0.531 | 74% | 0.742 | S | S | . | * | | | trans | 83.4 | 115 | 158.2 | -57.2 | 0 | 0 | 0 | 0 | 119.4 | | |
| 299 | N | 34.6 | Very low | 36.9 | Very low | 149 Ų | 149 | 129.8 Ų | 129.8 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | | | trans | 65.1 | 140.5 | 133 | -47.1 | -14.8 | 0 | 0 | 0 | 117.8 | | |
| 300 | N | 34.1 | Very low | 37 | Very low | 141 Ų | 141 | 129 Ų | 129 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | | | cis | -167.4 | 145.8 | 42.1 | -166.8 | 27.1 | 0 | 0 | 0 | 113.4 | | |
| 301 | V | 36.4 | Very low | 36.9 | Very low | 108 Ų | 108 | 130 Ų | 130 | 66% | 0.655 | 74% | 0.743 | S | S | * | * | | | trans | -3.9 | 112.3 | 154.5 | 179.6 | 0 | 0 | 0 | 0 | 118.2 | | |
| 302 | N | 37.8 | Very low | 36.8 | Very low | 158 Ų | 158 | 132 Ų | 132 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | | | | 173.1 | 148.3 | 118 | -95.3 | -44.5 | 0 | 0 | 0 | 114.5 | | |
| 303 | A | 37.5 | Very low | 36.7 | Very low | 87 Ų | 87 | 127.5 Ų | 127.5 | 72% | 0.719 | 74% | 0.737 | S | S | * | * | | | trans | -88.9 | -176.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 304 | P | 40.4 | Very low | 36.7 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | | | cis | -143.1 | -178.6 | 14.3 | 41.7 | -20.7 | 0 | 0 | 0 | 117.7 | | |
| 305 | T | 35.7 | Very low | 36.6 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | | | trans | 38.6 | 133.1 | 148.5 | 53.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 306 | A | 37.2 | Very low | 36.2 | Very low | 84 Ų | 84 | 129.3 Ų | 129.3 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | | | | -171.4 | 165 | 72.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 307 | T | 38.3 | Very low | 35.8 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | | | trans | 61.3 | 113 | 149.1 | 45.2 | 0 | 0 | 0 | 0 | 122.5 | | |
| 308 | V | 38.1 | Very low | 35.9 | Very low | 134 Ų | 134 | 124.2 Ų | 124.2 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | | | | 84.9 | 112.6 | 125.1 | 177 | 0 | 0 | 0 | 0 | 119.8 | | |
| 309 | K | 34.3 | Very low | 36 | Very low | 178 Ų | 178 | 129 Ų | 129 | 77% | 0.774 | 75% | 0.752 | S | S | * | * | | | trans | -36.6 | 140.2 | 157.3 | -48.2 | 162.2 | 179.3 | 177.1 | 0 | 113.8 | | |
| 310 | N | 37.5 | Very low | 35.9 | Very low | 134 Ų | 134 | 127 Ų | 127 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | | | | -177.2 | 133.9 | 103.2 | -101.8 | -4.4 | 0 | 0 | 0 | 115.1 | | |
| 311 | T | 35.3 | Very low | 35.9 | Very low | 109 Ų | 109 | 125.3 Ų | 125.3 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | | | trans | 66.5 | 158 | 141.5 | 60.1 | 0 | 0 | 0 | 0 | 122.3 | | |
| 312 | F | 35.1 | Very low | 35.8 | Very low | 196 Ų | 196 | 125.5 Ų | 125.5 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | | | trans | 84.2 | 157.2 | 163.4 | -70.9 | -69.7 | 0 | 0 | 0 | 120 | | |
| 313 | S | 35.6 | Very low | 35.8 | Very low | 88 Ų | 88 | 125.3 Ų | 125.3 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | | | trans | -120.9 | 155.6 | -149.8 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 314 | T | 35.7 | Very low | 35.9 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | | | trans | 44.2 | 96.4 | 145.7 | -47.1 | 0 | 0 | 0 | 0 | 117.1 | | |
| 315 | I | 35.1 | Very low | 35.5 | Very low | 158 Ų | 158 | 127.2 Ų | 127.2 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | | | trans | -124 | 116.8 | 151.3 | -60.7 | -179.9 | 0 | 0 | 0 | 108.3 | | |
| 316 | S | 29.9 | Very low | 35.6 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | trans | -108.4 | 116.9 | 163.6 | -61.7 | 0 | 0 | 0 | 0 | 108 | | |
| 317 | S | 34.1 | Very low | 35.7 | Very low | 93 Ų | 93 | 131 Ų | 131 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | | | trans | -169.8 | 144.4 | 162.6 | 66.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 318 | V | 34.2 | Very low | 35.4 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 67% | 0.673 | 75% | 0.748 | S | S | * | * | | | trans | 65.1 | 111.4 | 157.5 | -156.4 | 0 | 0 | 0 | 0 | 119.5 | T320 | V318-T320 HydrophobicContact CG1-CG2 3.89Š|
| 319 | I | 38.7 | Very low | 35.2 | Very low | 176 Ų | 176 | 131 Ų | 131 | 90% | 0.903 | 75% | 0.748 | S | S | * | * | | | | -125.4 | 121.8 | 126.8 | -63 | -177.6 | 0 | 0 | 0 | 107.5 | | |
| 320 | T | 33.6 | Very low | 35.2 | Very low | 107 Ų | 107 | 128.7 Ų | 128.7 | 66% | 0.656 | 75% | 0.749 | S | S | * | * | | | trans | -108.3 | 146 | 173.3 | 41.2 | 0 | 0 | 0 | 0 | 110.5 | V318 | V318-T320 HydrophobicContact CG1-CG2 3.89Š|
| 321 | S | 34.4 | Very low | 35 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | trans | 174.6 | 126.8 | 132.6 | -79.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 322 | S | 33.7 | Very low | 34.9 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | | | trans | 57 | 159.5 | 150.2 | 63.8 | 0 | 0 | 0 | 0 | 118.9 | | |
| 323 | I | 37.5 | Very low | 34.8 | Very low | 154 Ų | 154 | 127.5 Ų | 127.5 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | | | cis | -135.1 | 159.1 | 22.9 | -71 | 172.1 | 0 | 0 | 0 | 111.9 | | |
| 324 | S | 39.3 | Very low | 34.9 | Very low | 88 Ų | 88 | 131.6 Ų | 131.6 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | | | trans | -39.8 | 141.9 | -175 | 57.1 | 0 | 0 | 0 | 0 | 122.2 | | |
| 325 | D | 33.3 | Very low | 34.8 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | | | | 41.8 | 130.7 | 124.8 | -42.7 | -39.4 | 0 | 0 | 0 | 120.4 | | |
| 326 | S | 36.6 | Very low | 34.7 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | | 179.9 | 157.3 | 73.5 | 42.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 327 | H | 38.6 | Very low | 35 | Very low | 184 Ų | 184 | 132.9 Ų | 132.9 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | | | trans | 62.5 | 131.7 | 162.1 | -77.2 | -68.3 | 0 | 0 | 0 | 123.6 | | |
| 328 | T | 33.2 | Very low | 34.9 | Very low | 109 Ų | 109 | 137 Ų | 137 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | | | trans | -79.7 | 159.1 | 176.7 | 52.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 329 | D | 34.2 | Very low | 35.1 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | | -167.2 | 171.4 | 106.8 | -95.9 | -5.1 | 0 | 0 | 0 | 113.4 | | |
| 330 | T | 32.7 | Very low | 34.9 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | trans | -112.4 | -173.2 | -161.2 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 331 | I | 33.8 | Very low | 35.2 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | | | trans | 92.9 | 136 | 171 | -54.6 | 163.1 | 0 | 0 | 0 | 113.7 | | |
| 332 | S | 34.3 | Very low | 35.4 | Very low | 104 Ų | 104 | 146.3 Ų | 146.3 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | cis | -165.4 | 168.6 | -23.7 | -175.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 333 | N | 32.9 | Very low | 35.5 | Very low | 146 Ų | 146 | 152.5 Ų | 152.5 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | | | trans | -50.9 | 147.4 | 175.6 | -64.1 | -67.3 | 0 | 0 | 0 | 114.5 | | |
| 334 | N | 37.5 | Very low | 35.5 | Very low | 175 Ų | 175 | 154.7 Ų | 154.7 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | | | trans | -148.1 | 133.2 | 142.1 | -102.7 | -55.5 | 0 | 0 | 0 | 111.2 | | |
| 335 | H | 34.2 | Very low | 35.3 | Very low | 181 Ų | 181 | 156 Ų | 156 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | | | trans | -130.3 | 126.4 | -172.8 | 180 | 79.2 | 0 | 0 | 0 | 109 | | |
| 336 | C | 33.1 | Very low | 35.6 | Very low | 111 Ų | 111 | 156.2 Ų | 156.2 | 75% | 0.75 | 81% | 0.809 | S | S | * | * | | | trans | -142.8 | 98.2 | -176 | -160.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 337 | N | 35.2 | Very low | 35.6 | Very low | 134 Ų | 134 | 158 Ų | 158 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | | | trans | 54.8 | 119.7 | 138.1 | -65.8 | -64.7 | 0 | 0 | 0 | 122 | | |
| 338 | Q | 32.9 | Very low | 35.4 | Very low | 180 Ų | 180 | 156 Ų | 156 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | | | trans | -70.9 | 159.1 | 158.7 | -51.8 | 166.7 | 2.6 | 0 | 0 | 112.2 | | |
| 339 | K | 37.3 | Very low | 35.4 | Very low | 179 Ų | 179 | 161.2 Ų | 161.2 | 78% | 0.778 | 82% | 0.815 | S | S | * | * | | | trans | -174.6 | 124 | 137.7 | -103.7 | 149 | -170.8 | 170.1 | 0 | 114.5 | | |
| 340 | N | 35.8 | Very low | 35.6 | Very low | 145 Ų | 145 | 160 Ų | 160 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | | | trans | 67.6 | 158.7 | 162.2 | -51.4 | -45.6 | 0 | 0 | 0 | 116.2 | | |
| 341 | L | 39.8 | Very low | 35.9 | Very low | 171 Ų | 171 | 163.5 Ų | 163.5 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | | | cis | -119.8 | 178.5 | 8.2 | -81.1 | 81 | 0 | 0 | 0 | 113.2 | | |
| 342 | K | 37.1 | Very low | 36.2 | Very low | 200 Ų | 200 | 161.5 Ų | 161.5 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | | | trans | -107.4 | 166.8 | -172.5 | -70.7 | 179.1 | 173.9 | 177.7 | 0 | 114.6 | | |
| 343 | R | 36.7 | Very low | 36.6 | Very low | 243 Ų | 243 | 162 Ų | 162 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | | | trans | 88 | 143.4 | 168.8 | -53.4 | 172.2 | 175.8 | 169.7 | -1.8 | 113.9 | | |
| 344 | K | 37.9 | Very low | 37 | Very low | 199 Ų | 199 | 164.2 Ų | 164.2 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | | | cis | -124.2 | 157.6 | 7.2 | -63.1 | 172.5 | -178.5 | 172.7 | 0 | 111.4 | | |
| 345 | S | 35.3 | Very low | 37.4 | Very low | 115 Ų | 115 | 158.3 Ų | 158.3 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | -134.3 | 121.2 | 176.2 | 54.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 346 | I | 39 | Very low | 37.7 | Very low | 152 Ų | 152 | 155 Ų | 155 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | | | trans | -142.3 | 141.6 | 172.5 | -71.1 | -173.1 | 0 | 0 | 0 | 107.7 | | |
| 347 | N | 35.9 | Very low | 38.4 | Very low | 146 Ų | 146 | 154.4 Ų | 154.4 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | | | trans | 55.7 | 84.4 | 171.4 | -61.2 | 2.1 | 0 | 0 | 0 | 117.8 | | |
| 348 | N | 36 | Very low | 38.9 | Very low | 142 Ų | 142 | 151.9 Ų | 151.9 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | | | trans | -138.4 | 62.6 | 149.1 | -165.5 | 2.2 | 0 | 0 | 0 | 109.8 | | |
| 349 | Y | 32.9 | Very low | 39.8 | Very low | 218 Ų | 218 | 147.6 Ų | 147.6 | 86% | 0.855 | 70% | 0.702 | S | S | * | * | | | trans | -142.2 | 52.3 | -176.1 | -82.8 | -67.4 | 0 | 0 | 0 | 111.7 | | |
| 350 | D | 38.7 | Very low | 40.2 | Very low | 127 Ų | 127 | 143.9 Ų | 143.9 | 68% | 0.679 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -136 | -39.3 | 171.7 | -90.9 | -60.5 | 0 | 0 | 0 | 112.3 | N352 I353 | D350-N352 VanDerWaalsContact C-N 3.29Å; D350-N352 PolarHBondContact O-N 3.38Å; D350-I353 PolarHBondContact O-N 3.25Å |
| 351 | Y | 38.9 | Very low | 41 | Very low | 201 Ų | 201 | 141.7 Ų | 141.7 | 79% | 0.788 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -65.3 | -24.8 | -170.3 | -127.8 | -87.3 | 0 | 0 | 0 | 115.2 | | |
| 352 | N | 39.4 | Very low | 41.2 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 66% | 0.658 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -84.8 | -24.1 | 179.2 | -84.4 | -11.1 | 0 | 0 | 0 | 114.3 | D350 R354 S355 Q356 | D350-N352 VanDerWaalsContact C-N 3.29Å; D350-N352 PolarHBondContact O-N 3.38Å; N352-R354 VanDerWaalsContact C-N 3.32Å; N352-R354 PolarHBondContact O-N 3.14Å; N352-S355 PolarHBondContact O-OG 2.7Å; N352-S355 VanDerWaalsContact O-OG 3.08Å; N352-Q356 PolarHBondContact O-N 2.68Å; N352-Q356 PolarHBondContact O-OE1 2.84Å |
| 353 | I | 42.4 | Very low | 42 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 58% | 0.579 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68.4 | -39 | -179.6 | -63.8 | 179 | 0 | 0 | 0 | 109.8 | D350 Q356 E357 | D350-I353 PolarHBondContact O-N 3.25Å; I353-Q356 PolarHBondContact O-N 3.32Å; I353-E357 PolarHBondContact O-N 3.31Å |
| 354 | R | 40.7 | Very low | 42.6 | Very low | 194 Ų | 194 | 127.6 Ų | 127.6 | 73% | 0.732 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.3 | -31.2 | -176.6 | -153.4 | 164.9 | -170.6 | 148.4 | 3.1 | 113.8 | N352 D358 | N352-R354 VanDerWaalsContact C-N 3.32Å; N352-R354 PolarHBondContact O-N 3.14Å; R354-D358 PolarHBondContact O-N 2.97Å |
| 355 | S | 45.6 | Very low | 43.1 | Very low | 51 Ų | 51 | 122.1 Ų | 122.1 | 36% | 0.357 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -73.4 | -37.7 | 173.5 | 60.6 | 0 | 0 | 0 | 0 | 112.2 | N352 E357 D358 I359 | N352-S355 PolarHBondContact O-OG 2.7Å; N352-S355 VanDerWaalsContact O-OG 3.08Å; S355-E357 VanDerWaalsContact C-N 3.33Å; S355-E357 PolarHBondContact O-N 3.32Å; S355-D358 PolarHBondContact O-N 3Å; S355-I359 WeakPolarHBondContact O-CD1 3.47Å; S355-I359 VanDerWaalsContact O-CG1 3.29Å; S355-I359 WeakPolarHBondContact O-CG1 3.33Å; S355-I359 PolarHBondContact O-N 3.2Å; S355-I359 VanDerWaalsContact O-N 3.09Å |
| 356 | Q | 42.1 | Very low | 43.4 | Very low | 112 Ų | 112 | 121.7 Ų | 121.7 | 52% | 0.523 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60.5 | -40.7 | 175.1 | -123.7 | 78.4 | 43.2 | 0 | 0 | 112.2 | N352 I353 N360 | N352-Q356 PolarHBondContact O-N 2.68Å; N352-Q356 PolarHBondContact O-OE1 2.84Å; I353-Q356 PolarHBondContact O-N 3.32Å; Q356-N360 PolarHBondContact O-N 3.49Å; Q356-N360 PolarHBondContact O-ND2 3.24Å |
| 357 | E | 46.5 | Very low | 43.8 | Very low | 98 Ų | 98 | 119.1 Ų | 119.1 | 46% | 0.458 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.8 | -45.3 | 176.2 | -78.4 | -164.2 | -171.1 | 0 | 0 | 113.2 | I353 S355 I359 N360 K361 | I353-E357 PolarHBondContact O-N 3.31Å; S355-E357 VanDerWaalsContact C-N 3.33Å; S355-E357 PolarHBondContact O-N 3.32Å; E357-I359 VanDerWaalsContact C-N 3.35Å; E357-N360 PolarHBondContact O-N 2.89Å; E357-N360 VanDerWaalsContact O-N 3.16Å; E357-K361 WeakPolarHBondContact O-CG 3.46Å; E357-K361 PolarHBondContact O-N 2.95Å; E357-K361 IonicContact OE2-NZ 3.62Å; E357-K361 PolarHBondContact OE2-NZ 3.3Å |
| 358 | D | 46.4 | Very low | 44.3 | Very low | 80 Ų | 80 | 117.3 Ų | 117.3 | 43% | 0.428 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -72.3 | -30.5 | -175.6 | -70.7 | -10.5 | 0 | 0 | 0 | 111.8 | R354 S355 N360 K361 N362 | R354-D358 PolarHBondContact O-N 2.97Å; S355-D358 PolarHBondContact O-N 3Å; D358-N360 VanDerWaalsContact C-N 3.34Å; D358-K361 IonicContact OD1-NZ 2.7Å; D358-K361 PolarHBondContact OD1-NZ 3.42Å; D358-K361 VanDerWaalsContact OD1-NZ 3.16Å; D358-N362 VanDerWaalsContact O-CG 3.23Å; D358-N362 PolarHBondContact O-N 3.16Å; D358-N362 VanDerWaalsContact O-N 3.08Å; D358-N362 PolarHBondContact O-ND2 3.01Å |
| 359 | I | 51.2 | Low | 44.6 | Very low | 91 Ų | 91 | 119.5 Ų | 119.5 | 47% | 0.467 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.4 | -42.1 | 167.9 | -69.5 | 165.7 | 0 | 0 | 0 | 111.1 | S355 E357 K363 | S355-I359 WeakPolarHBondContact O-CD1 3.47Å; S355-I359 VanDerWaalsContact O-CG1 3.29Å; S355-I359 WeakPolarHBondContact O-CG1 3.33Å; S355-I359 PolarHBondContact O-N 3.2Å; S355-I359 VanDerWaalsContact O-N 3.09Å; E357-I359 VanDerWaalsContact C-N 3.35Å; I359-K363 PolarHBondContact O-N 3.08Å |
| 360 | N | 46.5 | Very low | 45 | Very low | 101 Ų | 101 | 115.8 Ų | 115.8 | 54% | 0.54 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -73.6 | -35.6 | -179.8 | -71.8 | -25.4 | 0 | 0 | 0 | 112.7 | Q356 E357 D358 K363 S364 | Q356-N360 PolarHBondContact O-N 3.49Å; Q356-N360 PolarHBondContact O-ND2 3.24Å; E357-N360 PolarHBondContact O-N 2.89Å; E357-N360 VanDerWaalsContact O-N 3.16Å; D358-N360 VanDerWaalsContact C-N 3.34Å; N360-K363 PolarHBondContact O-N 3.26Å; N360-S364 PolarHBondContact O-N 3.09Å |
| 361 | K | 52.5 | Low | 45.5 | Very low | 99 Ų | 99 | 113.5 Ų | 113.5 | 43% | 0.43 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.8 | -43.6 | 173 | -70 | 163.2 | -161.9 | 155.3 | 0 | 111.2 | E357 D358 K363 S364 V365 | E357-K361 WeakPolarHBondContact O-CG 3.46Å; E357-K361 PolarHBondContact O-N 2.95Å; E357-K361 IonicContact OE2-NZ 3.62Å; E357-K361 PolarHBondContact OE2-NZ 3.3Å; D358-K361 IonicContact OD1-NZ 2.7Å; D358-K361 PolarHBondContact OD1-NZ 3.42Å; D358-K361 VanDerWaalsContact OD1-NZ 3.16Å; K361-K363 VanDerWaalsContact C-N 3.33Å; K361-K363 PolarHBondContact O-N 3.24Å; K361-S364 WeakPolarHBondContact O-CB 3.42Å; K361-S364 PolarHBondContact O-N 3.23Å; K361-S364 VanDerWaalsContact O-N 3.09Å; K361-V365 PolarHBondContact O-N 2.89Å; K361-V365 VanDerWaalsContact O-N 3.14Å |
| 362 | N | 44.9 | Very low | 45.8 | Very low | 100 Ų | 100 | 108.2 Ų | 108.2 | 54% | 0.535 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.1 | -35.5 | 178.6 | -70.4 | -22.2 | 0 | 0 | 0 | 113 | D358 S364 V365 N366 | D358-N362 VanDerWaalsContact O-CG 3.23Å; D358-N362 PolarHBondContact O-N 3.16Å; D358-N362 VanDerWaalsContact O-N 3.08Å; D358-N362 PolarHBondContact O-ND2 3.01Å; N362-S364 VanDerWaalsContact C-N 3.33Å; N362-S364 PolarHBondContact O-N 3.39Å; N362-V365 PolarHBondContact O-N 3.3Å; N362-N366 PolarHBondContact O-N 3.12Å; N362-N366 PolarHBondContact O-OD1 2.94Å |
| 363 | K | 52.3 | Low | 46 | Very low | 140 Ų | 140 | 108.8 Ų | 108.8 | 61% | 0.609 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.2 | -36.4 | 172.3 | -74.6 | -174.1 | 174.3 | -175.3 | 0 | 113 | I359 N360 K361 V365 N367 | I359-K363 PolarHBondContact O-N 3.08Å; N360-K363 PolarHBondContact O-N 3.26Å; K361-K363 VanDerWaalsContact C-N 3.33Å; K361-K363 PolarHBondContact O-N 3.24Å; K363-V365 VanDerWaalsContact C-N 3.34Å; K363-N367 PolarHBondContact O-N 3.22Å; K363-N367 PolarHBondContact O-OD1 3.07Å; K363-N367 VanDerWaalsContact O-OD1 3.07Å |
| 364 | S | 49.7 | Very low | 45.9 | Very low | 77 Ų | 77 | 110.8 Ų | 110.8 | 54% | 0.538 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.7 | -32.4 | 175.4 | -162.6 | 0 | 0 | 0 | 0 | 112.8 | N360 K361 N362 L368 | N360-S364 PolarHBondContact O-N 3.09Å; K361-S364 WeakPolarHBondContact O-CB 3.42Å; K361-S364 PolarHBondContact O-N 3.23Å; K361-S364 VanDerWaalsContact O-N 3.09Å; N362-S364 VanDerWaalsContact C-N 3.33Å; N362-S364 PolarHBondContact O-N 3.39Å; S364-L368 WeakPolarHBondContact O-CG 3.46Å |
| 365 | V | 48.2 | Very low | 45.8 | Very low | 84 Ų | 84 | 109.1 Ų | 109.1 | 51% | 0.509 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -76.4 | -41.5 | 179.4 | 175.9 | 0 | 0 | 0 | 0 | 111.9 | K361 N362 K363 L368 Y369 | K361-V365 PolarHBondContact O-N 2.89Å; K361-V365 VanDerWaalsContact O-N 3.14Å; N362-V365 PolarHBondContact O-N 3.3Å; K363-V365 VanDerWaalsContact C-N 3.34Å; V365-L368 PolarHBondContact O-N 3.46Å; V365-Y369 PolarHBondContact O-N 3.37Å |
| 366 | N | 42.9 | Very low | 45.2 | Very low | 106 Ų | 106 | 114.2 Ų | 114.2 | 57% | 0.567 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.9 | -45.3 | 178.9 | -72 | 15 | 0 | 0 | 0 | 111.8 | N362 L368 Y369 E370 | N362-N366 PolarHBondContact O-N 3.12Å; N362-N366 PolarHBondContact O-OD1 2.94Å; N366-L368 PolarHBondContact O-N 2.85Å; N366-Y369 WeakPolarHBondContact O-CB 3.32Å; N366-Y369 PolarHBondContact O-N 2.83Å; N366-E370 PolarHBondContact O-N 2.97Å |
| 367 | N | 46.7 | Very low | 45 | Very low | 99 Ų | 99 | 114.7 Ų | 114.7 | 53% | 0.529 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -59.9 | -30.1 | 178.9 | -72.1 | 30.4 | 0 | 0 | 0 | 112.9 | K363 Y369 T371 | K363-N367 PolarHBondContact O-N 3.22Å; K363-N367 PolarHBondContact O-OD1 3.07Å; K363-N367 VanDerWaalsContact O-OD1 3.07Å; N367-Y369 VanDerWaalsContact C-N 3.35Å; N367-T371 WeakPolarHBondContact O-CG2 3.48Å; N367-T371 PolarHBondContact O-N 3.43Å; N367-T371 VanDerWaalsContact O-N 3.11Å; N367-T371 PolarHBondContact O-OG1 2.98Å |
| 368 | L | 46.4 | Very low | 44.5 | Very low | 108 Ų | 108 | 117.7 Ų | 117.7 | 57% | 0.565 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74 | -24.5 | 176.8 | -74.6 | 169.7 | 0 | 0 | 0 | 113.2 | S364 V365 N366 T371 S372 | S364-L368 WeakPolarHBondContact O-CG 3.46Å; V365-L368 PolarHBondContact O-N 3.46Å; N366-L368 PolarHBondContact O-N 2.85Å; L368-T371 WeakPolarHBondContact CA-OG1 3.36Å; L368-T371 PolarHBondContact O-OG1 2.96Å; L368-S372 PolarHBondContact O-OG 3.48Å |
| 369 | Y | 41.5 | Very low | 43.9 | Very low | 188 Ų | 188 | 120.7 Ų | 120.7 | 74% | 0.737 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.7 | -41.8 | 172 | -117.2 | -97.4 | 0 | 0 | 0 | 111.2 | V365 N366 N367 S372 | V365-Y369 PolarHBondContact O-N 3.37Å; N366-Y369 WeakPolarHBondContact O-CB 3.32Å; N366-Y369 PolarHBondContact O-N 2.83Å; N367-Y369 VanDerWaalsContact C-N 3.35Å; Y369-S372 PolarHBondContact O-N 3.25Å |
| 370 | E | 42.6 | Very low | 43.5 | Very low | 139 Ų | 139 | 124.4 Ų | 124.4 | 65% | 0.65 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -66.7 | -41.7 | 177 | -69.3 | -179.6 | 127.4 | 0 | 0 | 112.6 | N366 S372 N373 | N366-E370 PolarHBondContact O-N 2.97Å; E370-S372 PolarHBondContact O-N 3.17Å; E370-N373 PolarHBondContact O-N 3.41Å |
| 371 | T | 48.9 | Very low | 43.3 | Very low | 80 Ų | 80 | 127.8 Ų | 127.8 | 49% | 0.491 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -66.4 | -20.5 | 178.1 | 52.7 | 0 | 0 | 0 | 0 | 114 | N367 L368 | N367-T371 WeakPolarHBondContact O-CG2 3.48Å; N367-T371 PolarHBondContact O-N 3.43Å; N367-T371 VanDerWaalsContact O-N 3.11Å; N367-T371 PolarHBondContact O-OG1 2.98Å; L368-T371 WeakPolarHBondContact CA-OG1 3.36Å; L368-T371 PolarHBondContact O-OG1 2.96Å |
| 372 | S | 45.3 | Very low | 42.8 | Very low | 89 Ų | 89 | 129.7 Ų | 129.7 | 62% | 0.622 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -78.2 | -20.5 | -176.9 | -62.6 | 0 | 0 | 0 | 0 | 113.5 | L368 Y369 E370 | L368-S372 PolarHBondContact O-OG 3.48Å; Y369-S372 PolarHBondContact O-N 3.25Å; E370-S372 PolarHBondContact O-N 3.17Å |
| 373 | N | 42.3 | Very low | 42.7 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 2.9 | 180 | -77.1 | 0.8 | 0 | 0 | 0 | 114.1 | E370 | E370-N373 PolarHBondContact O-N 3.41Š|
| 374 | M | 40.8 | Very low | 42.3 | Very low | 155 Ų | 155 | 133 Ų | 133 | 76% | 0.764 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -113.9 | 16.7 | -174.7 | -71.1 | -78.5 | 94.9 | 0 | 0 | 114.2 | | |
| 375 | L | 38.7 | Very low | 41.9 | Very low | 158 Ų | 158 | 134 Ų | 134 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -128.7 | 51.4 | -178.3 | -71.8 | 176 | 0 | 0 | 0 | 113.3 | | |
| 376 | N | 33.5 | Very low | 41.4 | Very low | 159 Ų | 159 | 139.3 Ų | 139.3 | 85% | 0.85 | 72% | 0.715 | S | S | * | * | | | trans | -149.9 | 54.3 | 159.4 | -159 | 37.8 | 0 | 0 | 0 | 113.3 | | |
| 377 | V | 36.4 | Very low | 41.3 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 74% | 0.739 | 72% | 0.724 | S | S | * | * | | | trans | -132.6 | 103 | 165.8 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 378 | N | 36.6 | Very low | 40.9 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 86% | 0.861 | 74% | 0.735 | S | S | * | * | | | trans | -147.4 | 136.5 | 153.7 | -89.9 | -42 | 0 | 0 | 0 | 106.3 | | |
| 379 | N | 33.3 | Very low | 40.5 | Very low | 142 Ų | 142 | 147.2 Ų | 147.2 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | | | trans | -95.5 | 137.2 | -175.1 | -33.9 | -77.4 | 0 | 0 | 0 | 109.3 | | |
| 380 | D | 43.6 | Very low | 40.4 | Very low | 169 Ų | 169 | 144.2 Ų | 144.2 | 90% | 0.904 | 74% | 0.736 | S | S | * | * | | | trans | -134 | 96.3 | 159.8 | -80.8 | -53.4 | 0 | 0 | 0 | 107.2 | | |
| 381 | E | 43.2 | Very low | 40.1 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 81% | 0.808 | 74% | 0.735 | S | S | * | * | | | trans | -123.3 | 169.8 | 168.5 | -98.6 | -73.5 | -164.2 | 0 | 0 | 107.9 | | |
| 382 | D | 40.2 | Very low | 39.8 | Very low | 138 Ų | 138 | 146 Ų | 146 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | | | trans | 77.9 | 125.2 | 175.8 | -76 | -41 | 0 | 0 | 0 | 119.7 | | |
| 383 | L | 44.1 | Very low | 39.3 | Very low | 151 Ų | 151 | 149.1 Ų | 149.1 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | trans | 65.8 | 137 | 166.1 | -77.3 | 68.6 | 0 | 0 | 0 | 116.3 | | |
| 384 | I | 43.9 | Very low | 39.5 | Very low | 159 Ų | 159 | 148.5 Ų | 148.5 | 82% | 0.815 | 75% | 0.748 | S | S | * | * | | | cis | -143.8 | 103.9 | 49.8 | -58.4 | 178.3 | 0 | 0 | 0 | 113.3 | | |
| 385 | D | 40 | Very low | 39.3 | Very low | 99 Ų | 99 | 148.4 Ų | 148.4 | 53% | 0.529 | 75% | 0.745 | S | S | . | * | | | | 58.1 | 117.3 | 110.3 | -152.1 | 13.6 | 0 | 0 | 0 | 124.6 | | |
| 386 | R | 39.5 | Very low | 39.2 | Very low | 194 Ų | 194 | 149.1 Ų | 149.1 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | | | trans | 85.1 | 124.9 | 138.8 | -101.2 | 177.8 | -62.1 | 177.3 | 9.9 | 125.3 | | |
| 387 | K | 40.9 | Very low | 39.3 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 76% | 0.757 | 74% | 0.737 | S | S | * | * | | | trans | 91 | 115.5 | 150.4 | -64.6 | 178.2 | -177.8 | -173.9 | 0 | 118.3 | | |
| 388 | H | 36.7 | Very low | 39.7 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | | | | 69.6 | 134.4 | 80.4 | -81.6 | -119.3 | 0 | 0 | 0 | 112.6 | | |
| 389 | E | 38.5 | Very low | 39.5 | Very low | 142 Ų | 142 | 144 Ų | 144 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | | | cis | -164 | 154.3 | 23.8 | -132 | 164.9 | -132.2 | 0 | 0 | 113.6 | | |
| 390 | N | 39 | Very low | 39.7 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 66% | 0.663 | 73% | 0.733 | S | S | * | * | | | trans | 59.9 | 154.8 | 152.7 | -56.4 | -27.4 | 0 | 0 | 0 | 120.2 | | |
| 391 | N | 37.5 | Very low | 39.4 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 64% | 0.642 | 73% | 0.728 | S | S | * | * | | | cis | -169.3 | 159.7 | -21 | -113.3 | 24.2 | 0 | 0 | 0 | 109.1 | | |
| 392 | D | 42 | Very low | 39.2 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | | | trans | 60.9 | 151.6 | 154.4 | -51.4 | -30.8 | 0 | 0 | 0 | 118.6 | | |
| 393 | E | 34.9 | Very low | 39.2 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 73% | 0.729 | 72% | 0.722 | S | S | * | * | | | cis | -158.3 | 159 | -7.3 | -127.1 | -165.1 | 129.3 | 0 | 0 | 111.9 | | |
| 394 | L | 45.3 | Very low | 39 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 64% | 0.644 | 72% | 0.718 | S | S | * | * | | | trans | 65 | 125.1 | 149 | -61.9 | 179.4 | 0 | 0 | 0 | 126 | | |
| 395 | Q | 37.2 | Very low | 38.7 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 71% | 0.71 | 71% | 0.713 | S | S | * | * | | | trans | 85.2 | 99 | 130.4 | -68 | 179.4 | 31.8 | 0 | 0 | 124.6 | | |
| 396 | H | 36.6 | Very low | 38.8 | Very low | 173 Ų | 173 | 140.9 Ų | 140.9 | 80% | 0.801 | 72% | 0.724 | S | S | * | * | | | | 46.6 | 95.1 | 119.9 | -55.4 | -51 | 0 | 0 | 0 | 123.5 | | |
| 397 | S | 36.1 | Very low | 38.7 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | | | | -17 | 171.6 | 121.8 | 65.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 398 | P | 45.6 | Very low | 38.5 | Very low | 104 Ų | 104 | 135 Ų | 135 | 68% | 0.675 | 72% | 0.716 | S | S | * | * | | | cis | -143.9 | -139.3 | -49.3 | 43.1 | -22.6 | 0 | 0 | 0 | 111.3 | | |
| 399 | T | 32.4 | Very low | 38.7 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 81% | 0.81 | 71% | 0.713 | S | S | * | * | | | trans | 75.6 | 163.3 | 167.9 | 72.1 | 0 | 0 | 0 | 0 | 118.5 | | |
| 400 | S | 36.5 | Very low | 38.6 | Very low | 115 Ų | 115 | 133 Ų | 133 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | | | cis | 173.9 | 122.8 | -38.4 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 401 | S | 36.5 | Very low | 38.3 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | | | trans | -166.6 | 159.3 | 161.8 | 72.6 | 0 | 0 | 0 | 0 | 110 | | |
| 402 | S | 39.7 | Very low | 38.2 | Very low | 92 Ų | 92 | 134.5 Ų | 134.5 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | | | cis | -148.2 | 169.3 | -3.3 | -144.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 403 | M | 41.1 | Very low | 37.8 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 77% | 0.768 | 74% | 0.739 | S | S | * | * | | | trans | -8.1 | 156 | 149.3 | -54.3 | 170 | -171.3 | 0 | 0 | 118 | | |
| 404 | D | 39.5 | Very low | 38 | Very low | 134 Ų | 134 | 130.3 Ų | 130.3 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | | | | -160 | 146.3 | 74.4 | -87.7 | -33.2 | 0 | 0 | 0 | 117.4 | | |
| 405 | Y | 37.8 | Very low | 37.6 | Very low | 183 Ų | 183 | 132.5 Ų | 132.5 | 72% | 0.718 | 74% | 0.739 | S | S | * | * | | | trans | 50.7 | 119 | 143.2 | -77.5 | -109.4 | 0 | 0 | 0 | 120.8 | | |
| 406 | F | 41 | Very low | 37.4 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | | | | 61.3 | 137.3 | 90.5 | -78.8 | -79.5 | 0 | 0 | 0 | 113.5 | | |
| 407 | S | 37.5 | Very low | 37.5 | Very low | 74 Ų | 74 | 132.1 Ų | 132.1 | 52% | 0.517 | 74% | 0.741 | S | S | . | * | | | cis | -163 | 158.4 | 25.3 | -127.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 408 | Q | 36.4 | Very low | 37.6 | Very low | 169 Ų | 169 | 133.4 Ų | 133.4 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | | | trans | 45.5 | 135.1 | 139.2 | -55 | 161.2 | 11.7 | 0 | 0 | 119.4 | | |
| 409 | T | 41.1 | Very low | 37.1 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | | | | -163.3 | 161.6 | 51.4 | 44.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 410 | N | 36.2 | Very low | 37.5 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | | | trans | 57.5 | 128.2 | 143.6 | -62 | -0.8 | 0 | 0 | 0 | 123.1 | | |
| 411 | S | 33.5 | Very low | 37.6 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | | | trans | -62.2 | 145.8 | 158.8 | -38.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 412 | I | 35.5 | Very low | 37.7 | Very low | 159 Ų | 159 | 138.4 Ų | 138.4 | 82% | 0.815 | 75% | 0.745 | S | S | * | * | | | trans | -149.3 | 137.8 | 152.9 | -101.3 | 149.5 | 0 | 0 | 0 | 108 | P414 | I412-P414 HydrophobicContact CG2-CG 4.43Š|
| 413 | S | 33.8 | Very low | 37.7 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | | | trans | -114.3 | 137.3 | 162.6 | 173.4 | 0 | 0 | 0 | 0 | 107 | | |
| 414 | P | 39.4 | Very low | 37.7 | Very low | 87 Ų | 87 | 137.2 Ų | 137.2 | 57% | 0.565 | 74% | 0.739 | S | S | * | * | | | trans | -143.1 | 141.4 | 143.6 | 34.4 | -18.1 | 0 | 0 | 0 | 114.7 | I412 | I412-P414 HydrophobicContact CG2-CG 4.43Š|
| 415 | Q | 35.6 | Very low | 37.7 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | | | trans | 57 | 136.2 | 134.1 | -65.1 | 172.4 | -113 | 0 | 0 | 121.5 | | |
| 416 | E | 33.6 | Very low | 37.8 | Very low | 187 Ų | 187 | 138.4 Ų | 138.4 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | | | trans | -65 | 133.4 | 152.4 | -51.4 | 178.8 | 141.8 | 0 | 0 | 109.5 | | |
| 417 | D | 39.7 | Very low | 37.7 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | | | trans | -163.4 | 148.5 | 151.8 | -123.4 | -28.9 | 0 | 0 | 0 | 113.9 | | |
| 418 | N | 37.9 | Very low | 37.8 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | | | trans | 44.2 | 102.7 | 157.5 | -62.2 | -58 | 0 | 0 | 0 | 122.2 | | |
| 419 | V | 34.4 | Very low | 38 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | | | | 28.6 | 107.5 | 122.3 | -172.7 | 0 | 0 | 0 | 0 | 118 | | |
| 420 | S | 40.4 | Very low | 38.2 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | | | trans | -166.7 | 163.7 | 135.3 | 47.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 421 | Q | 39.4 | Very low | 38.6 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | | | trans | -83.7 | 115.6 | -176.8 | -62.6 | 170.4 | 0.9 | 0 | 0 | 110.8 | N423 | Q421-N423 PolarHBondContact O-N 3.14Å; Q421-N423 PolarHBondContact OE1-ND2 3.39Å |
| 422 | I | 38.4 | Very low | 39.2 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | | | trans | -75.8 | 74.7 | 172.3 | -53.2 | -178 | 0 | 0 | 0 | 110 | V424 | I422-V424 HydrophobicContact CG2-CG2 3.85Å; I422-V424 PolarHBondContact O-N 3.22Å |
| 423 | N | 40.3 | Very low | 39.6 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 56% | 0.561 | 75% | 0.746 | S | S | * | * | | | trans | -81.6 | 91.2 | 167.9 | -76.6 | -38.5 | 0 | 0 | 0 | 109.3 | Q421 Y425 | Q421-N423 PolarHBondContact O-N 3.14Å; Q421-N423 PolarHBondContact OE1-ND2 3.39Å; N423-Y425 HydrophobicContact CB-CD2 4.05Å; N423-Y425 HydrophobicContact CB-CE2 4.31Å; N423-Y425 PolarHBondContact O-N 3.08Å |
| 424 | V | 40.8 | Very low | 40 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | | | trans | -73 | 79.6 | 172.9 | -170.1 | 0 | 0 | 0 | 0 | 110.3 | I422 N426 | I422-V424 HydrophobicContact CG2-CG2 3.85Å; I422-V424 PolarHBondContact O-N 3.22Å; V424-N426 PolarHBondContact O-N 3.31Å |
| 425 | Y | 38.2 | Very low | 40.3 | Very low | 188 Ų | 188 | 140.4 Ų | 140.4 | 74% | 0.737 | 75% | 0.748 | S | S | * | * | | | trans | -78.8 | 94.5 | 165 | -87.9 | -81.7 | 0 | 0 | 0 | 109.7 | N423 S427 | N423-Y425 HydrophobicContact CB-CD2 4.05Å; N423-Y425 HydrophobicContact CB-CE2 4.31Å; N423-Y425 PolarHBondContact O-N 3.08Å; Y425-S427 VanDerWaalsContact C-N 3.27Å; Y425-S427 PolarHBondContact O-N 3.36Å |
| 426 | N | 41.4 | Very low | 40.8 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | | | trans | -75.1 | 84.9 | 161.5 | -96.1 | 26.4 | 0 | 0 | 0 | 109.4 | V424 | V424-N426 PolarHBondContact O-N 3.31Š|
| 427 | S | 38.9 | Very low | 41.4 | Very low | 90 Ų | 90 | 136.3 Ų | 136.3 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | | | trans | -88.9 | 106.4 | 170.7 | -77.8 | 0 | 0 | 0 | 0 | 110.9 | Y425 | Y425-S427 VanDerWaalsContact C-N 3.27Å; Y425-S427 PolarHBondContact O-N 3.36Å |
| 428 | N | 39.5 | Very low | 41.6 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | | | trans | 42.7 | 134.1 | 143 | -57 | -26.9 | 0 | 0 | 0 | 121.5 | | |
| 429 | N | 39.8 | Very low | 42.1 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | | | trans | 65.8 | 114.8 | 150.1 | -56.5 | -13.8 | 0 | 0 | 0 | 117.5 | | |
| 430 | D | 46.2 | Very low | 42.3 | Very low | 161 Ų | 161 | 137.2 Ų | 137.2 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | | | | -135.8 | 148.6 | 107.9 | -129.9 | -29.3 | 0 | 0 | 0 | 110.9 | | |
| 431 | N | 44.1 | Very low | 42.8 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | | | trans | -110.6 | 119.4 | 176.6 | -73.3 | -76.6 | 0 | 0 | 0 | 109.3 | | |
| 432 | N | 45.7 | Very low | 43.3 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | | | trans | -154.6 | 146.1 | 148.6 | -104.7 | -48.3 | 0 | 0 | 0 | 112.4 | | |
| 433 | N | 43.1 | Very low | 44.3 | Very low | 138 Ų | 138 | 137 Ų | 137 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | | | trans | -90.6 | 139.8 | -179.1 | -44.1 | -80.9 | 0 | 0 | 0 | 108.3 | | |
| 434 | N | 43.4 | Very low | 45.1 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | | | | -178.5 | 161.5 | 77.7 | -103 | -33.2 | 0 | 0 | 0 | 113.1 | | |
| 435 | T | 45.6 | Very low | 45.7 | Very low | 108 Ų | 108 | 142 Ų | 142 | 66% | 0.663 | 75% | 0.753 | S | S | * | * | | | trans | 55.3 | 102.3 | 148.9 | 55.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 436 | D | 46.1 | Very low | 47.1 | Very low | 135 Ų | 135 | 142.1 Ų | 142.1 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | | 107.4 | 125 | 110.9 | -67.8 | -0.6 | 0 | 0 | 0 | 122.3 | | |
| 437 | N | 46.2 | Very low | 48.7 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | 86.6 | 108.3 | 148.6 | -61.9 | -35.9 | 0 | 0 | 0 | 121.9 | | |
| 438 | N | 43.1 | Very low | 50.8 | Low | 148 Ų | 148 | 147.9 Ų | 147.9 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | 66.9 | 76.5 | 140.5 | -67.5 | -21 | 0 | 0 | 0 | 120.7 | | |
| 439 | S | 49.4 | Very low | 52.9 | Low | 106 Ų | 106 | 152.5 Ų | 152.5 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | -156 | 75.3 | 137 | 46.7 | 0 | 0 | 0 | 0 | 113 | I441 | S439-I441 PolarHBondContact O-N 3.49Š|
| 440 | N | 38.1 | Very low | 55.1 | Low | 162 Ų | 162 | 155.2 Ų | 155.2 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | | | trans | -72.9 | 63.4 | 177 | -81.8 | -35.5 | 0 | 0 | 0 | 113.2 | I442 | N440-I442 PolarHBondContact O-N 2.77Š|
| 441 | I | 51.5 | Low | 57.1 | Low | 137 Ų | 137 | 153.4 Ų | 153.4 | 70% | 0.703 | 78% | 0.781 | S | S | * | * | | | trans | -76.3 | 107 | 170.1 | -59.4 | -178.3 | 0 | 0 | 0 | 108.4 | S439 I443 | S439-I441 PolarHBondContact O-N 3.49Å; I441-I443 VanDerWaalsContact C-N 3.28Å; I441-I443 HydrophobicContact CG2-CG1 3.96Å; I441-I443 PolarHBondContact O-N 3.2Å |
| 442 | I | 49 | Very low | 59.2 | Low | 142 Ų | 142 | 155.9 Ų | 155.9 | 73% | 0.728 | 78% | 0.78 | S | S | * | * | | | trans | -73 | 81.1 | 179.3 | -52.6 | 174.9 | 0 | 0 | 0 | 109.6 | N440 K444 | N440-I442 PolarHBondContact O-N 2.77Å; I442-K444 HydrophobicContact CG2-CG 4.04Å; I442-K444 PolarHBondContact O-N 3.16Å |
| 443 | I | 59.8 | Low | 61.2 | Low | 144 Ų | 144 | 152.3 Ų | 152.3 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | | | trans | -71.7 | 81.2 | 168.8 | -55.3 | -176.5 | 0 | 0 | 0 | 108.1 | I441 N445 | I441-I443 VanDerWaalsContact C-N 3.28Å; I441-I443 HydrophobicContact CG2-CG1 3.96Å; I441-I443 PolarHBondContact O-N 3.2Å; I443-N445 PolarHBondContact O-N 3.44Å |
| 444 | K | 56.3 | Low | 63.6 | Low | 166 Ų | 166 | 152.2 Ų | 152.2 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | trans | -47.2 | 128.9 | 179.5 | -63 | 172.6 | -177.2 | 174.2 | 0 | 110.4 | I442 K446 | I442-K444 HydrophobicContact CG2-CG 4.04Å; I442-K444 PolarHBondContact O-N 3.16Å; K444-K446 VanDerWaalsContact C-N 3.28Å; K444-K446 PolarHBondContact O-N 3.33Å |
| 445 | N | 55.3 | Low | 66.1 | Low | 162 Ų | 162 | 147.5 Ų | 147.5 | 87% | 0.866 | 73% | 0.734 | S | S | * | * | | | trans | -55.4 | 75.3 | -172.3 | -62.1 | 5.5 | 0 | 0 | 0 | 114.7 | I443 K447 | I443-N445 PolarHBondContact O-N 3.44Å; N445-K447 PolarHBondContact O-N 3.36Å; N445-K447 VanDerWaalsContact O-N 3.09Å |
| 446 | K | 67.1 | Low | 68.6 | Low | 192 Ų | 192 | 145 Ų | 145 | 84% | 0.835 | 72% | 0.721 | S | S | * | * | | | trans | -70.1 | 101.8 | 169.4 | -72.8 | -178.7 | -179.9 | 178.7 | 0 | 107.8 | K444 I448 | K444-K446 VanDerWaalsContact C-N 3.28Å; K444-K446 PolarHBondContact O-N 3.33Å; K446-I448 PolarHBondContact O-N 3.36Å |
| 447 | K | 74.8 | Confident | 71 | Confident | 198 Ų | 198 | 144.8 Ų | 144.8 | 86% | 0.861 | 72% | 0.719 | S | S | * | * | | | trans | -51 | 109 | 176.2 | -66.3 | 179.3 | 179.7 | 178.7 | 0 | 109.6 | N445 R449 | N445-K447 PolarHBondContact O-N 3.36Å; N445-K447 VanDerWaalsContact O-N 3.09Å; K447-R449 PolarHBondContact O-N 3.08Å; K447-R449 VanDerWaalsContact O-N 3.17Å |
| 448 | I | 82 | Confident | 73.5 | Confident | 167 Ų | 167 | 144.4 Ų | 144.4 | 86% | 0.856 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 120.8 | -178.7 | -61.4 | 173.5 | 0 | 0 | 0 | 108 | K446 | K446-I448 PolarHBondContact O-N 3.36Š|
| 449 | R | 85.1 | Confident | 76.1 | Confident | 231 Ų | 231 | 138.9 Ų | 138.9 | 87% | 0.872 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 135.4 | 173.8 | -73.6 | 179.6 | 172.3 | 148.3 | -3.4 | 108.1 | K447 | K447-R449 PolarHBondContact O-N 3.08Å; K447-R449 VanDerWaalsContact O-N 3.17Å |
| 450 | K | 84.3 | Confident | 78.4 | Confident | 192 Ų | 192 | 135.5 Ų | 135.5 | 84% | 0.835 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 136.7 | 174.4 | -63.1 | 175.5 | 179.7 | -178.2 | 0 | 108.9 | | |
| 451 | P | 88.2 | Confident | 81.2 | Confident | 124 Ų | 124 | 133 Ų | 133 | 81% | 0.805 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 145.9 | 177 | 25.4 | -33.9 | 0 | 0 | 0 | 110.3 | | |
| 452 | R | 89.2 | Confident | 83.4 | Confident | 182 Ų | 182 | 128.5 Ų | 128.5 | 69% | 0.687 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 132.9 | 176.3 | -70.5 | 173.5 | 164.8 | -153.5 | -8.7 | 109.2 | I454 D528 | R452-I454 PolarHBondContact O-N 3.41Å; R452-D528 IonicContact CZ-OD2 3.99Å; R452-D528 IonicContact NH1-OD2 2.77Å; R452-D528 PolarHBondContact NH1-OD2 3.07Å; R452-D528 IonicContact NH2-OD2 2.85Å; R452-D528 PolarHBondContact NH2-OD2 3.46Å |
| 453 | T | 87 | Confident | 85.7 | Confident | 85 Ų | 85 | 121.8 Ų | 121.8 | 52% | 0.521 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -69 | 128.6 | 167.3 | -47.8 | 0 | 0 | 0 | 0 | 109.3 | Y455 | T453-Y455 HydrophobicContact CG2-CE1 4.38Š|
| 454 | I | 94.2 | Very high | 87.5 | Confident | 136 Ų | 136 | 116.2 Ų | 116.2 | 70% | 0.697 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -95.1 | 135.4 | 166.4 | -56.3 | 176.2 | 0 | 0 | 0 | 107.1 | R452 | R452-I454 PolarHBondContact O-N 3.41Š|
| 455 | Y | 96.5 | Very high | 89.5 | Confident | 44 Ų | 44 | 116 Ų | 116 | 17% | 0.173 | 54% | 0.542 | C | S | . | . | P | Polyproline II helix | trans | -94 | 146.3 | 175.3 | -59.6 | -68 | 0 | 0 | 0 | 109.9 | T453 L460 L487 Q491 W495 | T453-Y455 HydrophobicContact CG2-CE1 4.38Å; Y455-L460 HydrophobicContact CD2-CD2 4.14Å; Y455-L460 HydrophobicContact CG-CD2 4.38Å; Y455-L487 HydrophobicContact CD1-CD1 3.87Å; Y455-L487 HydrophobicContact CD1-CD2 3.87Å; Y455-L487 HydrophobicContact CE1-CD1 3.83Å; Y455-L487 HydrophobicContact CE1-CD2 3.81Å; Y455-L487 HydrophobicContact CE1-CG 4.48Å; Y455-Q491 HydrophobicContact CE1-CB 4.32Å; Y455-W495 AromaticContact CE2-CD1 3.83Å |
| 456 | S | 97.6 | Very high | 91.5 | Very high | 57 Ų | 57 | 111.7 Ų | 111.7 | 40% | 0.399 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 158.3 | 174.3 | 77.1 | 0 | 0 | 0 | 0 | 111.5 | W458 Q459 L460 | S456-W458 PolarHBondContact O-N 3.38Å; S456-Q459 WeakPolarHBondContact O-CB 3.48Å; S456-Q459 PolarHBondContact O-N 2.73Å; S456-Q459 VanDerWaalsContact O-N 3.08Å; S456-Q459 WeakPolarHBondContact OG-CG 3.43Å; S456-Q459 PolarHBondContact OG-N 3.08Å; S456-L460 WeakPolarHBondContact O-CG 3.46Å; S456-L460 PolarHBondContact O-N 3.39Å |
| 457 | I | 96.9 | Very high | 92.9 | Very high | 130 Ų | 130 | 102.6 Ų | 102.6 | 67% | 0.667 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -55.7 | -42.5 | 178.2 | -61.6 | 174.1 | 0 | 0 | 0 | 110.6 | L460 Q461 | I457-L460 PolarHBondContact O-N 3.31Å; I457-Q461 HydrophobicContact CG2-CG 4.39Å; I457-Q461 WeakPolarHBondContact O-CB 3.29Å; I457-Q461 VanDerWaalsContact O-CG 3.3Å; I457-Q461 WeakPolarHBondContact O-CG 3.48Å; I457-Q461 PolarHBondContact O-N 3.26Å |
| 458 | W | 97.6 | Very high | 93.9 | Very high | 127 Ų | 127 | 96.8 Ų | 96.8 | 48% | 0.481 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 176.2 | 178 | 83.5 | 0 | 0 | 0 | 113 | S456 L460 Q461 M462 Q484 L485 | S456-W458 PolarHBondContact O-N 3.38Å; W458-L460 PolarHBondContact O-N 3.1Å; W458-Q461 PolarHBondContact O-N 3.4Å; W458-M462 HydrophobicContact CD2-CG 4.46Å; W458-M462 HydrophobicContact CZ2-CG 4.33Å; W458-M462 WeakPolarHBondContact O-CG 3.48Å; W458-M462 PolarHBondContact O-N 3.08Å; W458-Q484 WeakPolarHBondContact CH2-O 3.37Å; W458-L485 HydrophobicContact CE3-CD2 4.2Å; W458-L485 HydrophobicContact CH2-CD2 3.64Å; W458-L485 HydrophobicContact CZ2-CD2 4.27Å; W458-L485 HydrophobicContact CZ3-CD2 3.6Å |
| 459 | Q | 98.1 | Very high | 94.6 | Very high | 32 Ų | 32 | 95.6 Ų | 95.6 | 15% | 0.15 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 173.4 | -73.3 | 172.5 | -23.1 | 0 | 0 | 111 | S456 M462 L463 L485 | S456-Q459 WeakPolarHBondContact O-CB 3.48Å; S456-Q459 PolarHBondContact O-N 2.73Å; S456-Q459 VanDerWaalsContact O-N 3.08Å; S456-Q459 WeakPolarHBondContact OG-CG 3.43Å; S456-Q459 PolarHBondContact OG-N 3.08Å; Q459-M462 PolarHBondContact O-N 2.98Å; Q459-L463 VanDerWaalsContact O-CB 3.32Å; Q459-L463 WeakPolarHBondContact O-CB 3.47Å; Q459-L463 WeakPolarHBondContact O-CD1 3.39Å; Q459-L463 WeakPolarHBondContact O-CG 3.4Å; Q459-L463 PolarHBondContact O-N 3.12Å; Q459-L485 HydrophobicContact CG-CB 4.37Å; Q459-L485 PolarHBondContact NE2-O 3.27Å |
| 460 | L | 97.5 | Very high | 95.1 | Very high | 36 Ų | 36 | 86.3 Ų | 86.3 | 19% | 0.188 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 177.2 | -68.9 | 173.7 | 0 | 0 | 0 | 112.3 | Y455 S456 I457 W458 N464 | Y455-L460 HydrophobicContact CD2-CD2 4.14Å; Y455-L460 HydrophobicContact CG-CD2 4.38Å; S456-L460 WeakPolarHBondContact O-CG 3.46Å; S456-L460 PolarHBondContact O-N 3.39Å; I457-L460 PolarHBondContact O-N 3.31Å; W458-L460 PolarHBondContact O-N 3.1Å; L460-N464 VanDerWaalsContact O-CB 3.28Å; L460-N464 WeakPolarHBondContact O-CB 3.38Å; L460-N464 PolarHBondContact O-N 2.98Å; L460-N464 PolarHBondContact O-ND2 2.88Å |
| 461 | Q | 96.9 | Very high | 95.7 | Very high | 110 Ų | 110 | 80.1 Ų | 80.1 | 51% | 0.514 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 175.3 | -76.6 | 170.6 | -20.3 | 0 | 0 | 111.7 | I457 W458 N464 R465 | I457-Q461 HydrophobicContact CG2-CG 4.39Å; I457-Q461 WeakPolarHBondContact O-CB 3.29Å; I457-Q461 VanDerWaalsContact O-CG 3.3Å; I457-Q461 WeakPolarHBondContact O-CG 3.48Å; I457-Q461 PolarHBondContact O-N 3.26Å; W458-Q461 PolarHBondContact O-N 3.4Å; Q461-N464 PolarHBondContact O-N 3.46Å; Q461-R465 VanDerWaalsContact O-CB 3.31Å; Q461-R465 WeakPolarHBondContact O-CB 3.29Å; Q461-R465 PolarHBondContact O-N 3.38Å |
| 462 | M | 97.6 | Very high | 96.2 | Very high | 42 Ų | 42 | 81.5 Ų | 81.5 | 21% | 0.207 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -70.4 | -37.4 | 179 | -68.8 | -57.7 | 109.5 | 0 | 0 | 112.9 | W458 Q459 R465 R466 L485 | W458-M462 HydrophobicContact CD2-CG 4.46Å; W458-M462 HydrophobicContact CZ2-CG 4.33Å; W458-M462 WeakPolarHBondContact O-CG 3.48Å; W458-M462 PolarHBondContact O-N 3.08Å; Q459-M462 PolarHBondContact O-N 2.98Å; M462-R465 PolarHBondContact O-N 2.99Å; M462-R466 PolarHBondContact O-N 2.86Å; M462-L485 HydrophobicContact CB-CD1 4.07Å; M462-L485 HydrophobicContact CB-CD2 3.51Å; M462-L485 HydrophobicContact CB-CG 4.41Å; M462-L485 HydrophobicContact CG-CD2 3.85Å |
| 463 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 172.3 | -72.7 | 164.8 | 0 | 0 | 0 | 111.1 | Q459 R466 F467 L481 L485 L487 V492 W495 F496 | Q459-L463 VanDerWaalsContact O-CB 3.32Å; Q459-L463 WeakPolarHBondContact O-CB 3.47Å; Q459-L463 WeakPolarHBondContact O-CD1 3.39Å; Q459-L463 WeakPolarHBondContact O-CG 3.4Å; Q459-L463 PolarHBondContact O-N 3.12Å; L463-R466 PolarHBondContact O-N 3.35Å; L463-F467 WeakPolarHBondContact O-CB 3.29Å; L463-F467 PolarHBondContact O-N 3.44Å; L463-L481 HydrophobicContact CD2-CD2 3.95Å; L463-L485 HydrophobicContact CD2-CD1 3.92Å; L463-L485 HydrophobicContact CG-CD1 3.73Å; L463-L487 HydrophobicContact CD1-CD1 4.16Å; L463-V492 HydrophobicContact CD2-CG1 4.47Å; L463-W495 VanDerWaalsContact C-CH2 3.48Å; L463-W495 HydrophobicContact CB-CD2 3.91Å; L463-W495 HydrophobicContact CB-CE3 3.95Å; L463-W495 HydrophobicContact CB-CH2 3.75Å; L463-W495 HydrophobicContact CB-CZ2 3.65Å; L463-W495 HydrophobicContact CB-CZ3 3.88Å; L463-W495 HydrophobicContact CD1-CD2 4Å; L463-W495 HydrophobicContact CD1-CG 3.93Å; L463-W495 HydrophobicContact CD2-CD2 4.23Å; L463-W495 HydrophobicContact CD2-CE3 4.15Å; L463-W495 HydrophobicContact CD2-CG 4.5Å; L463-W495 HydrophobicContact CG-CD2 4.27Å; L463-W495 HydrophobicContact CG-CE3 4.48Å; L463-F496 HydrophobicContact CD2-CE2 3.93Å |
| 464 | N | 97.3 | Very high | 97 | Very high | 27 Ų | 27 | 73.6 Ų | 73.6 | 14% | 0.144 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 175.3 | -83.7 | -37 | 0 | 0 | 0 | 112 | L460 Q461 R466 F467 V468 W495 K499 D523 | L460-N464 VanDerWaalsContact O-CB 3.28Å; L460-N464 WeakPolarHBondContact O-CB 3.38Å; L460-N464 PolarHBondContact O-N 2.98Å; L460-N464 PolarHBondContact O-ND2 2.88Å; Q461-N464 PolarHBondContact O-N 3.46Å; N464-R466 PolarHBondContact O-N 2.96Å; N464-F467 WeakPolarHBondContact O-CB 3.49Å; N464-F467 PolarHBondContact O-N 2.68Å; N464-F467 VanDerWaalsContact O-N 3.1Å; N464-V468 PolarHBondContact O-N 3.33Å; N464-V468 VanDerWaalsContact O-N 3.1Å; N464-W495 VanDerWaalsContact OD1-CH2 3.3Å; N464-W495 WeakPolarHBondContact OD1-CH2 3.37Å; N464-W495 WeakPolarHBondContact OD1-CZ2 3.3Å; N464-K499 WeakPolarHBondContact OD1-CE 3.16Å; N464-K499 PolarHBondContact OD1-NZ 2.97Å; N464-D523 PolarHBondContact ND2-OD2 3.19Å |
| 465 | R | 97 | Very high | 97.2 | Very high | 163 Ų | 163 | 72 Ų | 72 | 62% | 0.615 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -54.6 | -50.5 | 175.1 | -176.6 | 178.8 | -179.9 | 173.6 | 3.4 | 110.9 | Q461 M462 F467 V468 H469 | Q461-R465 VanDerWaalsContact O-CB 3.31Å; Q461-R465 WeakPolarHBondContact O-CB 3.29Å; Q461-R465 PolarHBondContact O-N 3.38Å; M462-R465 PolarHBondContact O-N 2.99Å; R465-F467 VanDerWaalsContact C-N 3.35Å; R465-F467 PolarHBondContact O-N 3.42Å; R465-V468 PolarHBondContact O-N 3.27Å; R465-H469 PolarHBondContact O-N 3.36Å; R465-H469 PolarHBondContact O-ND1 3.47Å |
| 466 | R | 97.4 | Very high | 97.2 | Very high | 71 Ų | 71 | 75 Ų | 75 | 27% | 0.268 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.5 | -37.8 | 177.5 | 179.7 | 68.5 | 80 | 153.7 | 0.1 | 111.9 | M462 L463 N464 V468 H469 S470 L473 E477 L481 F496 | M462-R466 PolarHBondContact O-N 2.86Å; L463-R466 PolarHBondContact O-N 3.35Å; N464-R466 PolarHBondContact O-N 2.96Å; R466-V468 VanDerWaalsContact C-N 3.31Å; R466-V468 PolarHBondContact O-N 3.18Å; R466-H469 PolarHBondContact O-N 2.88Å; R466-H469 VanDerWaalsContact O-N 3.09Å; R466-S470 PolarHBondContact O-N 3.15Å; R466-L473 HydrophobicContact CG-CD1 4.48Å; R466-L473 HydrophobicContact CG-CD2 3.66Å; R466-E477 IonicContact NH1-OE1 3.32Å; R466-E477 PolarHBondContact NH1-OE1 3.27Å; R466-L481 HydrophobicContact CB-CD1 4.35Å; R466-L481 HydrophobicContact CB-CD2 4.14Å; R466-L481 HydrophobicContact CG-CD2 4Å; R466-F496 HydrophobicContact CB-CZ 4.22Å; R466-F496 HydrophobicContact CG-CZ 3.93Å |
| 467 | F | 97.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 74.5 Ų | 74.5 | 0% | 0.004 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.8 | -37.4 | 178.8 | -169.6 | -95.6 | 0 | 0 | 0 | 113.8 | L463 N464 R465 H469 S470 Q471 W495 F496 K499 R500 L503 F516 L517 | L463-F467 WeakPolarHBondContact O-CB 3.29Å; L463-F467 PolarHBondContact O-N 3.44Å; N464-F467 WeakPolarHBondContact O-CB 3.49Å; N464-F467 PolarHBondContact O-N 2.68Å; N464-F467 VanDerWaalsContact O-N 3.1Å; R465-F467 VanDerWaalsContact C-N 3.35Å; R465-F467 PolarHBondContact O-N 3.42Å; F467-H469 VanDerWaalsContact C-N 3.34Å; F467-S470 CarbonylContact O-C 3.28Å; F467-S470 VanDerWaalsContact O-C 3.28Å; F467-Q471 HydrophobicContact CD1-CG 4.3Å; F467-Q471 HydrophobicContact CE1-CG 3.89Å; F467-Q471 HydrophobicContact CE2-CB 4.08Å; F467-Q471 HydrophobicContact CE2-CG 4.27Å; F467-Q471 HydrophobicContact CZ-CB 4.07Å; F467-Q471 HydrophobicContact CZ-CG 3.87Å; F467-Q471 WeakPolarHBondContact O-CG 3.4Å; F467-Q471 PolarHBondContact O-N 3.21Å; F467-W495 HydrophobicContact CB-CH2 4.02Å; F467-W495 HydrophobicContact CB-CZ3 3.93Å; F467-W495 HydrophobicContact CD2-CH2 4.45Å; F467-W495 AromaticContact CD2-CZ3 3.87Å; F467-W495 HydrophobicContact CD2-CZ3 3.87Å; F467-W495 HydrophobicContact CG-CH2 4.35Å; F467-W495 HydrophobicContact CG-CZ3 4.16Å; F467-F496 HydrophobicContact CB-CE1 4.16Å; F467-F496 HydrophobicContact CB-CZ 4.34Å; F467-F496 AromaticContact CD2-CD1 3.72Å; F467-F496 HydrophobicContact CD2-CD1 3.72Å; F467-F496 AromaticContact CD2-CE1 3.72Å; F467-F496 HydrophobicContact CD2-CE1 3.72Å; F467-F496 HydrophobicContact CD2-CG 4.49Å; F467-F496 HydrophobicContact CD2-CZ 4.48Å; F467-F496 HydrophobicContact CE2-CD1 4.29Å; F467-F496 HydrophobicContact CG-CE1 4.42Å; F467-K499 HydrophobicContact CD1-CG 3.76Å; F467-K499 HydrophobicContact CD2-CB 3.96Å; F467-K499 HydrophobicContact CD2-CG 3.73Å; F467-K499 HydrophobicContact CE1-CG 3.64Å; F467-K499 HydrophobicContact CE2-CB 3.64Å; F467-K499 HydrophobicContact CE2-CG 3.6Å; F467-K499 HydrophobicContact CG-CG 3.81Å; F467-K499 HydrophobicContact CZ-CB 3.97Å; F467-K499 HydrophobicContact CZ-CG 3.56Å; F467-R500 HydrophobicContact CE2-CG 3.82Å; F467-R500 HydrophobicContact CZ-CG 3.93Å; F467-L503 HydrophobicContact CE1-CD2 4.42Å; F467-L503 HydrophobicContact CZ-CD2 4.42Å; F467-F516 HydrophobicContact CE1-CE1 4.44Å; F467-L517 HydrophobicContact CD1-CD2 4.08Å; F467-L517 HydrophobicContact CE1-CD2 3.82Å |
| 468 | V | 96.1 | Very high | 97.3 | Very high | 75 Ų | 75 | 71 Ų | 71 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 174.5 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | N464 R465 R466 L517 | N464-V468 PolarHBondContact O-N 3.33Å; N464-V468 VanDerWaalsContact O-N 3.1Å; R465-V468 PolarHBondContact O-N 3.27Å; R466-V468 VanDerWaalsContact C-N 3.31Å; R466-V468 PolarHBondContact O-N 3.18Å; V468-L517 WeakPolarHBondContact CG2-O 3.3Å |
| 469 | H | 95.2 | Very high | 97.3 | Very high | 142 Ų | 142 | 66.7 Ų | 66.7 | 66% | 0.657 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -75.9 | -39.9 | 179.4 | -66.9 | 66 | 0 | 0 | 0 | 112.4 | R465 R466 F467 | R465-H469 PolarHBondContact O-N 3.36Å; R465-H469 PolarHBondContact O-ND1 3.47Å; R466-H469 PolarHBondContact O-N 2.88Å; R466-H469 VanDerWaalsContact O-N 3.09Å; F467-H469 VanDerWaalsContact C-N 3.34Å |
| 470 | S | 96.3 | Very high | 97.3 | Very high | 36 Ų | 36 | 68.2 Ų | 68.2 | 25% | 0.252 | 34% | 0.339 | S | S | . | . | | | trans | -151.1 | 126.4 | 170.3 | 177 | 0 | 0 | 0 | 0 | 110.8 | R466 F467 Y472 F496 | R466-S470 PolarHBondContact O-N 3.15Å; F467-S470 CarbonylContact O-C 3.28Å; F467-S470 VanDerWaalsContact O-C 3.28Å; S470-Y472 PolarHBondContact O-N 3.26Å; S470-Y472 PolarHBondContact OG-N 2.81Å; S470-Y472 PolarHBondContact OG-O 2.64Å; S470-F496 WeakPolarHBondContact O-CE1 3.38Å |
| 471 | Q | 96.8 | Very high | 97.4 | Very high | 62 Ų | 62 | 66.7 Ų | 66.7 | 29% | 0.29 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -78.7 | -6.6 | 175.6 | -57.4 | 176.2 | 8.2 | 0 | 0 | 112.6 | F467 R500 | F467-Q471 HydrophobicContact CD1-CG 4.3Å; F467-Q471 HydrophobicContact CE1-CG 3.89Å; F467-Q471 HydrophobicContact CE2-CB 4.08Å; F467-Q471 HydrophobicContact CE2-CG 4.27Å; F467-Q471 HydrophobicContact CZ-CB 4.07Å; F467-Q471 HydrophobicContact CZ-CG 3.87Å; F467-Q471 WeakPolarHBondContact O-CG 3.4Å; F467-Q471 PolarHBondContact O-N 3.21Å; Q471-R500 HydrophobicContact CB-CG 4.3Å; Q471-R500 VanDerWaalsContact O-CD 3.3Å; Q471-R500 WeakPolarHBondContact O-CD 3.02Å |
| 472 | Y | 98.1 | Very high | 97.4 | Very high | 153 Ų | 153 | 61.7 Ų | 61.7 | 60% | 0.6 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -136.5 | 99.8 | -173.4 | -70.7 | -101.6 | 0 | 0 | 0 | 110.1 | S470 R500 | S470-Y472 PolarHBondContact O-N 3.26Å; S470-Y472 PolarHBondContact OG-N 2.81Å; S470-Y472 PolarHBondContact OG-O 2.64Å; Y472-R500 VanDerWaalsContact CZ-CD 3.46Å |
| 473 | L | 97.5 | Very high | 97.5 | Very high | 16 Ų | 16 | 64.5 Ų | 64.5 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | | | trans | -81.5 | 129.3 | 178.5 | -55.3 | -173.2 | 0 | 0 | 0 | 112.2 | R466 E477 R478 L481 V492 F496 | R466-L473 HydrophobicContact CG-CD1 4.48Å; R466-L473 HydrophobicContact CG-CD2 3.66Å; L473-E477 HydrophobicContact CB-CB 4.16Å; L473-E477 HydrophobicContact CD2-CB 4.26Å; L473-R478 HydrophobicContact CB-CB 4.23Å; L473-R478 HydrophobicContact CD1-CB 4.48Å; L473-R478 PolarHBondContact O-NH2 3.23Å; L473-L481 HydrophobicContact CD1-CD2 3.78Å; L473-V492 HydrophobicContact CD1-CG1 3.78Å; L473-F496 HydrophobicContact CD1-CD1 4.4Å; L473-F496 HydrophobicContact CD1-CD2 4.01Å; L473-F496 HydrophobicContact CD1-CE1 4.04Å; L473-F496 HydrophobicContact CD1-CE2 3.64Å; L473-F496 HydrophobicContact CD1-CG 4.4Å; L473-F496 HydrophobicContact CD1-CZ 3.67Å; L473-F496 HydrophobicContact CD2-CE1 3.86Å; L473-F496 HydrophobicContact CD2-CZ 4.02Å; L473-F496 HydrophobicContact CG-CD1 3.97Å; L473-F496 HydrophobicContact CG-CD2 4.44Å; L473-F496 HydrophobicContact CG-CE1 3.69Å; L473-F496 HydrophobicContact CG-CE2 4.21Å; L473-F496 HydrophobicContact CG-CG 4.35Å; L473-F496 HydrophobicContact CG-CZ 3.85Å |
| 474 | N | 96.9 | Very high | 97.4 | Very high | 85 Ų | 85 | 69.7 Ų | 69.7 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | | | trans | -67.5 | 173.9 | 164.4 | 75.6 | 53.4 | 0 | 0 | 0 | 111.3 | T476 E477 R478 | N474-T476 PolarHBondContact O-N 3.18Å; N474-T476 WeakPolarHBondContact OD1-CB 3.36Å; N474-T476 PolarHBondContact OD1-N 3.4Å; N474-E477 VanDerWaalsContact CG-OE2 3.31Å; N474-E477 PolarHBondContact N-OE2 3.28Å; N474-E477 VanDerWaalsContact ND2-CD 3.33Å; N474-E477 WeakPolarHBondContact ND2-CG 3.42Å; N474-E477 PolarHBondContact ND2-OE2 3.08Å; N474-E477 PolarHBondContact OD1-N 2.92Å; N474-R478 VanDerWaalsContact O-CB 3.26Å; N474-R478 WeakPolarHBondContact O-CB 3.38Å; N474-R478 PolarHBondContact O-N 3.45Å |
| 475 | L | 97 | Very high | 97.5 | Very high | 102 Ų | 102 | 68.7 Ų | 68.7 | 53% | 0.534 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | -175.2 | -173.6 | 60.6 | 0 | 0 | 0 | 112.3 | R478 A479 | L475-R478 PolarHBondContact O-N 3.19Å; L475-A479 WeakPolarHBondContact O-CB 3.03Å; L475-A479 PolarHBondContact O-N 3.2Å |
| 476 | T | 97.8 | Very high | 97.5 | Very high | 109 Ų | 109 | 64.2 Ų | 64.2 | 67% | 0.669 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -66.7 | -43.8 | -179.5 | -45.8 | 0 | 0 | 0 | 0 | 112.1 | N474 R478 A479 S480 | N474-T476 PolarHBondContact O-N 3.18Å; N474-T476 WeakPolarHBondContact OD1-CB 3.36Å; N474-T476 PolarHBondContact OD1-N 3.4Å; T476-R478 VanDerWaalsContact C-N 3.32Å; T476-R478 PolarHBondContact O-N 2.85Å; T476-A479 PolarHBondContact O-N 3.13Å; T476-S480 VanDerWaalsContact O-CB 3.32Å; T476-S480 WeakPolarHBondContact O-CB 3.46Å; T476-S480 PolarHBondContact O-N 3.4Å |
| 477 | E | 98 | Very high | 97.5 | Very high | 46 Ų | 46 | 61.8 Ų | 61.8 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 174.6 | -71.7 | 178 | 120.2 | 0 | 0 | 112.1 | R466 L473 N474 L481 | R466-E477 IonicContact NH1-OE1 3.32Å; R466-E477 PolarHBondContact NH1-OE1 3.27Å; L473-E477 HydrophobicContact CB-CB 4.16Å; L473-E477 HydrophobicContact CD2-CB 4.26Å; N474-E477 VanDerWaalsContact CG-OE2 3.31Å; N474-E477 PolarHBondContact N-OE2 3.28Å; N474-E477 VanDerWaalsContact ND2-CD 3.33Å; N474-E477 WeakPolarHBondContact ND2-CG 3.42Å; N474-E477 PolarHBondContact ND2-OE2 3.08Å; N474-E477 PolarHBondContact OD1-N 2.92Å; E477-L481 WeakPolarHBondContact O-CB 3.3Å; E477-L481 PolarHBondContact O-N 3.49Å |
| 478 | R | 98.3 | Very high | 97.5 | Very high | 57 Ų | 57 | 65.3 Ų | 65.3 | 22% | 0.215 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 178 | -171.5 | -172.6 | -52.4 | 146.5 | 11.9 | 111.5 | L473 N474 L475 T476 A482 Q489 V492 | L473-R478 HydrophobicContact CB-CB 4.23Å; L473-R478 HydrophobicContact CD1-CB 4.48Å; L473-R478 PolarHBondContact O-NH2 3.23Å; N474-R478 VanDerWaalsContact O-CB 3.26Å; N474-R478 WeakPolarHBondContact O-CB 3.38Å; N474-R478 PolarHBondContact O-N 3.45Å; L475-R478 PolarHBondContact O-N 3.19Å; T476-R478 VanDerWaalsContact C-N 3.32Å; T476-R478 PolarHBondContact O-N 2.85Å; R478-A482 WeakPolarHBondContact O-CB 3.38Å; R478-A482 PolarHBondContact O-N 3.46Å; R478-Q489 HydrophobicContact CG-CB 4.18Å; R478-Q489 HydrophobicContact CG-CG 4.44Å; R478-V492 HydrophobicContact CG-CB 4.23Å; R478-V492 HydrophobicContact CG-CG1 4.03Å |
| 479 | A | 98.4 | Very high | 97.6 | Very high | 36 Ų | 36 | 65.4 Ų | 65.4 | 30% | 0.298 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | L475 T476 A482 S483 | L475-A479 WeakPolarHBondContact O-CB 3.03Å; L475-A479 PolarHBondContact O-N 3.2Å; T476-A479 PolarHBondContact O-N 3.13Å; A479-A482 PolarHBondContact O-N 2.94Å; A479-S483 WeakPolarHBondContact O-CB 3.49Å; A479-S483 PolarHBondContact O-N 3.31Å |
| 480 | S | 98.1 | Very high | 97.7 | Very high | 64 Ų | 64 | 63 Ų | 63 | 45% | 0.448 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.3 | -49.9 | 175.6 | 171.8 | 0 | 0 | 0 | 0 | 112.1 | T476 S483 Q484 | T476-S480 VanDerWaalsContact O-CB 3.32Å; T476-S480 WeakPolarHBondContact O-CB 3.46Å; T476-S480 PolarHBondContact O-N 3.4Å; S480-S483 PolarHBondContact O-N 3.28Å; S480-Q484 WeakPolarHBondContact O-CB 3.47Å; S480-Q484 PolarHBondContact O-N 3.4Å |
| 481 | L | 98.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.016 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.3 | -37.2 | 179.2 | -169.5 | 71 | 0 | 0 | 0 | 112.5 | L463 R466 L473 E477 Q484 L485 V492 F496 | L463-L481 HydrophobicContact CD2-CD2 3.95Å; R466-L481 HydrophobicContact CB-CD1 4.35Å; R466-L481 HydrophobicContact CB-CD2 4.14Å; R466-L481 HydrophobicContact CG-CD2 4Å; L473-L481 HydrophobicContact CD1-CD2 3.78Å; E477-L481 WeakPolarHBondContact O-CB 3.3Å; E477-L481 PolarHBondContact O-N 3.49Å; L481-Q484 PolarHBondContact O-N 2.9Å; L481-L485 HydrophobicContact CD1-CD1 3.93Å; L481-L485 HydrophobicContact CD1-CG 4.2Å; L481-L485 HydrophobicContact CG-CD1 3.92Å; L481-L485 HydrophobicContact CG-CG 4.35Å; L481-L485 WeakPolarHBondContact O-CB 3.44Å; L481-L485 VanDerWaalsContact O-CG 3.3Å; L481-L485 WeakPolarHBondContact O-CG 3.5Å; L481-L485 PolarHBondContact O-N 2.98Å; L481-L485 VanDerWaalsContact O-N 3.07Å; L481-V492 HydrophobicContact CD2-CG1 4Å; L481-F496 HydrophobicContact CD2-CE2 3.87Å; L481-F496 HydrophobicContact CD2-CZ 4.23Å |
| 482 | A | 98.4 | Very high | 97.8 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.4 | -51.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | R478 A479 L485 G486 L487 Q489 V492 | R478-A482 WeakPolarHBondContact O-CB 3.38Å; R478-A482 PolarHBondContact O-N 3.46Å; A479-A482 PolarHBondContact O-N 2.94Å; A482-L485 PolarHBondContact O-N 3.38Å; A482-G486 PolarHBondContact O-N 3.34Å; A482-L487 CarbonylContact C-O 3.31Å; A482-L487 VanDerWaalsContact C-O 3.31Å; A482-L487 WeakPolarHBondContact CA-O 3.44Å; A482-L487 VanDerWaalsContact CB-O 3.24Å; A482-L487 WeakPolarHBondContact CB-O 3.48Å; A482-L487 PolarHBondContact O-N 3.18Å; A482-Q489 HydrophobicContact CB-CB 4.49Å; A482-Q489 HydrophobicContact CB-CG 3.84Å; A482-V492 HydrophobicContact CB-CG2 4.11Å |
| 483 | S | 97.9 | Very high | 97.8 | Very high | 101 Ų | 101 | 57.9 Ų | 57.9 | 71% | 0.706 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -59.1 | -48.9 | 176.2 | -170.4 | 0 | 0 | 0 | 0 | 112 | A479 S480 L485 G486 | A479-S483 WeakPolarHBondContact O-CB 3.49Å; A479-S483 PolarHBondContact O-N 3.31Å; S480-S483 PolarHBondContact O-N 3.28Å; S483-L485 VanDerWaalsContact C-N 3.27Å; S483-L485 PolarHBondContact O-N 3.24Å; S483-G486 PolarHBondContact O-N 3.48Å |
| 484 | Q | 97.7 | Very high | 97.8 | Very high | 110 Ų | 110 | 60.9 Ų | 60.9 | 51% | 0.514 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.4 | -35.1 | -179.4 | -173.2 | 176.6 | 25.8 | 0 | 0 | 113.2 | W458 S480 L481 | W458-Q484 WeakPolarHBondContact CH2-O 3.37Å; S480-Q484 WeakPolarHBondContact O-CB 3.47Å; S480-Q484 PolarHBondContact O-N 3.4Å; L481-Q484 PolarHBondContact O-N 2.9Å |
| 485 | L | 97.7 | Very high | 97.8 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -98.1 | -0.2 | -174 | -59.4 | -173.5 | 0 | 0 | 0 | 114.6 | W458 Q459 M462 L463 L481 A482 S483 L487 | W458-L485 HydrophobicContact CE3-CD2 4.2Å; W458-L485 HydrophobicContact CH2-CD2 3.64Å; W458-L485 HydrophobicContact CZ2-CD2 4.27Å; W458-L485 HydrophobicContact CZ3-CD2 3.6Å; Q459-L485 HydrophobicContact CG-CB 4.37Å; Q459-L485 PolarHBondContact NE2-O 3.27Å; M462-L485 HydrophobicContact CB-CD1 4.07Å; M462-L485 HydrophobicContact CB-CD2 3.51Å; M462-L485 HydrophobicContact CB-CG 4.41Å; M462-L485 HydrophobicContact CG-CD2 3.85Å; L463-L485 HydrophobicContact CD2-CD1 3.92Å; L463-L485 HydrophobicContact CG-CD1 3.73Å; L481-L485 HydrophobicContact CD1-CD1 3.93Å; L481-L485 HydrophobicContact CD1-CG 4.2Å; L481-L485 HydrophobicContact CG-CD1 3.92Å; L481-L485 HydrophobicContact CG-CG 4.35Å; L481-L485 WeakPolarHBondContact O-CB 3.44Å; L481-L485 VanDerWaalsContact O-CG 3.3Å; L481-L485 WeakPolarHBondContact O-CG 3.5Å; L481-L485 PolarHBondContact O-N 2.98Å; L481-L485 VanDerWaalsContact O-N 3.07Å; A482-L485 PolarHBondContact O-N 3.38Å; S483-L485 VanDerWaalsContact C-N 3.27Å; S483-L485 PolarHBondContact O-N 3.24Å; L485-L487 VanDerWaalsContact C-N 3.25Å; L485-L487 HydrophobicContact CB-CB 4.48Å; L485-L487 HydrophobicContact CB-CD1 4.09Å; L485-L487 HydrophobicContact CB-CG 4.03Å; L485-L487 HydrophobicContact CD1-CD1 4.42Å; L485-L487 PolarHBondContact O-N 3.19Å |
| 486 | G | 97.6 | Very high | 97.9 | Very high | 70 Ų | 70 | 53.4 Ų | 53.4 | 72% | 0.722 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 29.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A482 S483 | A482-G486 PolarHBondContact O-N 3.34Å; S483-G486 PolarHBondContact O-N 3.48Å |
| 487 | L | 97.4 | Very high | 97.9 | Very high | 19 Ų | 19 | 52.9 Ų | 52.9 | 10% | 0.099 | 30% | 0.3 | C | S | . | . | | | trans | -113.5 | 154.6 | -177.4 | -65.3 | -178.5 | 0 | 0 | 0 | 111.1 | Y455 L463 A482 L485 V492 | Y455-L487 HydrophobicContact CD1-CD1 3.87Å; Y455-L487 HydrophobicContact CD1-CD2 3.87Å; Y455-L487 HydrophobicContact CE1-CD1 3.83Å; Y455-L487 HydrophobicContact CE1-CD2 3.81Å; Y455-L487 HydrophobicContact CE1-CG 4.48Å; L463-L487 HydrophobicContact CD1-CD1 4.16Å; A482-L487 CarbonylContact C-O 3.31Å; A482-L487 VanDerWaalsContact C-O 3.31Å; A482-L487 WeakPolarHBondContact CA-O 3.44Å; A482-L487 VanDerWaalsContact CB-O 3.24Å; A482-L487 WeakPolarHBondContact CB-O 3.48Å; A482-L487 PolarHBondContact O-N 3.18Å; L485-L487 VanDerWaalsContact C-N 3.25Å; L485-L487 HydrophobicContact CB-CB 4.48Å; L485-L487 HydrophobicContact CB-CD1 4.09Å; L485-L487 HydrophobicContact CB-CG 4.03Å; L485-L487 HydrophobicContact CD1-CD1 4.42Å; L485-L487 PolarHBondContact O-N 3.19Å; L487-V492 HydrophobicContact CB-CG2 4.22Å |
| 488 | T | 97.8 | Very high | 97.9 | Very high | 75 Ų | 75 | 55.3 Ų | 55.3 | 46% | 0.46 | 32% | 0.315 | S | S | . | . | | | trans | -72.8 | 149.3 | 169.9 | 63.4 | 0 | 0 | 0 | 0 | 111.1 | T490 Q491 V492 | T488-T490 PolarHBondContact O-N 3.27Å; T488-T490 VanDerWaalsContact O-N 3.1Å; T488-Q491 PolarHBondContact O-N 3.37Å; T488-Q491 WeakPolarHBondContact OG1-CB 3.3Å; T488-Q491 WeakPolarHBondContact OG1-CG 3.43Å; T488-Q491 PolarHBondContact OG1-N 3.06Å; T488-Q491 VanDerWaalsContact OG1-N 3.1Å; T488-Q491 PolarHBondContact OG1-OE1 2.99Å; T488-V492 PolarHBondContact O-N 3.33Å; T488-V492 VanDerWaalsContact O-N 3.1Å |
| 489 | Q | 98.2 | Very high | 97.9 | Very high | 77 Ų | 77 | 53 Ų | 53 | 36% | 0.36 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -54.3 | -30.5 | 171.4 | -67.1 | -165.1 | 52 | 0 | 0 | 112.6 | R478 A482 K493 | R478-Q489 HydrophobicContact CG-CB 4.18Å; R478-Q489 HydrophobicContact CG-CG 4.44Å; A482-Q489 HydrophobicContact CB-CB 4.49Å; A482-Q489 HydrophobicContact CB-CG 3.84Å; Q489-K493 WeakPolarHBondContact O-CB 3.36Å; Q489-K493 PolarHBondContact O-N 3.38Å |
| 490 | T | 97.5 | Very high | 97.8 | Very high | 91 Ų | 91 | 54.9 Ų | 54.9 | 56% | 0.558 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -69.4 | -43.7 | 176.3 | -55.6 | 0 | 0 | 0 | 0 | 112.3 | T488 V492 K493 I494 | T488-T490 PolarHBondContact O-N 3.27Å; T488-T490 VanDerWaalsContact O-N 3.1Å; T490-V492 VanDerWaalsContact C-N 3.34Å; T490-V492 PolarHBondContact O-N 2.87Å; T490-K493 PolarHBondContact O-N 3.34Å; T490-I494 HydrophobicContact CG2-CD1 3.94Å; T490-I494 WeakPolarHBondContact O-CB 3.42Å; T490-I494 VanDerWaalsContact O-CG1 3.29Å; T490-I494 WeakPolarHBondContact O-CG1 3.5Å; T490-I494 PolarHBondContact O-N 2.93Å |
| 491 | Q | 97.3 | Very high | 97.8 | Very high | 44 Ų | 44 | 54.4 Ų | 54.4 | 21% | 0.206 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 172.9 | -79.3 | 157.2 | -46.7 | 0 | 0 | 111.1 | Y455 T488 I494 W495 | Y455-Q491 HydrophobicContact CE1-CB 4.32Å; T488-Q491 PolarHBondContact O-N 3.37Å; T488-Q491 WeakPolarHBondContact OG1-CB 3.3Å; T488-Q491 WeakPolarHBondContact OG1-CG 3.43Å; T488-Q491 PolarHBondContact OG1-N 3.06Å; T488-Q491 VanDerWaalsContact OG1-N 3.1Å; T488-Q491 PolarHBondContact OG1-OE1 2.99Å; Q491-I494 PolarHBondContact O-N 2.86Å; Q491-W495 WeakPolarHBondContact O-CB 3.42Å; Q491-W495 PolarHBondContact O-N 3.06Å |
| 492 | V | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 174.5 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | L463 L473 R478 L481 A482 L487 T488 T490 I494 W495 F496 | L463-V492 HydrophobicContact CD2-CG1 4.47Å; L473-V492 HydrophobicContact CD1-CG1 3.78Å; R478-V492 HydrophobicContact CG-CB 4.23Å; R478-V492 HydrophobicContact CG-CG1 4.03Å; L481-V492 HydrophobicContact CD2-CG1 4Å; A482-V492 HydrophobicContact CB-CG2 4.11Å; L487-V492 HydrophobicContact CB-CG2 4.22Å; T488-V492 PolarHBondContact O-N 3.33Å; T488-V492 VanDerWaalsContact O-N 3.1Å; T490-V492 VanDerWaalsContact C-N 3.34Å; T490-V492 PolarHBondContact O-N 2.87Å; V492-I494 VanDerWaalsContact C-N 3.33Å; V492-I494 PolarHBondContact O-N 3.28Å; V492-W495 PolarHBondContact O-N 3.1Å; V492-F496 HydrophobicContact CG1-CD2 3.81Å; V492-F496 HydrophobicContact CG1-CE2 3.99Å; V492-F496 WeakPolarHBondContact O-CD2 3.49Å; V492-F496 PolarHBondContact O-N 3.1Å |
| 493 | K | 97.7 | Very high | 97.5 | Very high | 100 Ų | 100 | 58.1 Ų | 58.1 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -55.9 | -46.1 | 176.3 | -175.2 | 178.1 | -180 | 176.7 | 0 | 111.5 | Q489 T490 Q497 | Q489-K493 WeakPolarHBondContact O-CB 3.36Å; Q489-K493 PolarHBondContact O-N 3.38Å; T490-K493 PolarHBondContact O-N 3.34Å; K493-Q497 WeakPolarHBondContact O-CB 3.36Å; K493-Q497 PolarHBondContact O-N 2.73Å |
| 494 | I | 97.5 | Very high | 97.4 | Very high | 78 Ų | 78 | 59.9 Ų | 59.9 | 40% | 0.4 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.2 | -46.2 | 179.6 | -69 | 167.3 | 0 | 0 | 0 | 111.1 | T490 Q491 V492 F496 Q497 N498 | T490-I494 HydrophobicContact CG2-CD1 3.94Å; T490-I494 WeakPolarHBondContact O-CB 3.42Å; T490-I494 VanDerWaalsContact O-CG1 3.29Å; T490-I494 WeakPolarHBondContact O-CG1 3.5Å; T490-I494 PolarHBondContact O-N 2.93Å; Q491-I494 PolarHBondContact O-N 2.86Å; V492-I494 VanDerWaalsContact C-N 3.33Å; V492-I494 PolarHBondContact O-N 3.28Å; I494-F496 PolarHBondContact O-N 3.49Å; I494-Q497 WeakPolarHBondContact O-CB 3.39Å; I494-Q497 PolarHBondContact O-N 3.1Å; I494-Q497 VanDerWaalsContact O-N 3.15Å; I494-N498 VanDerWaalsContact O-CG 3.29Å; I494-N498 PolarHBondContact O-N 3.19Å |
| 495 | W | 98.1 | Very high | 97.3 | Very high | 22 Ų | 22 | 61.6 Ų | 61.6 | 8% | 0.083 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 178.8 | -173.2 | 101.5 | 0 | 0 | 0 | 111.3 | Y455 L463 N464 F467 Q491 V492 Q497 N498 K499 | Y455-W495 AromaticContact CE2-CD1 3.83Å; L463-W495 VanDerWaalsContact C-CH2 3.48Å; L463-W495 HydrophobicContact CB-CD2 3.91Å; L463-W495 HydrophobicContact CB-CE3 3.95Å; L463-W495 HydrophobicContact CB-CH2 3.75Å; L463-W495 HydrophobicContact CB-CZ2 3.65Å; L463-W495 HydrophobicContact CB-CZ3 3.88Å; L463-W495 HydrophobicContact CD1-CD2 4Å; L463-W495 HydrophobicContact CD1-CG 3.93Å; L463-W495 HydrophobicContact CD2-CD2 4.23Å; L463-W495 HydrophobicContact CD2-CE3 4.15Å; L463-W495 HydrophobicContact CD2-CG 4.5Å; L463-W495 HydrophobicContact CG-CD2 4.27Å; L463-W495 HydrophobicContact CG-CE3 4.48Å; N464-W495 VanDerWaalsContact OD1-CH2 3.3Å; N464-W495 WeakPolarHBondContact OD1-CH2 3.37Å; N464-W495 WeakPolarHBondContact OD1-CZ2 3.3Å; F467-W495 HydrophobicContact CB-CH2 4.02Å; F467-W495 HydrophobicContact CB-CZ3 3.93Å; F467-W495 HydrophobicContact CD2-CH2 4.45Å; F467-W495 AromaticContact CD2-CZ3 3.87Å; F467-W495 HydrophobicContact CD2-CZ3 3.87Å; F467-W495 HydrophobicContact CG-CH2 4.35Å; F467-W495 HydrophobicContact CG-CZ3 4.16Å; Q491-W495 WeakPolarHBondContact O-CB 3.42Å; Q491-W495 PolarHBondContact O-N 3.06Å; V492-W495 PolarHBondContact O-N 3.1Å; W495-Q497 VanDerWaalsContact C-N 3.3Å; W495-Q497 PolarHBondContact O-N 2.97Å; W495-N498 PolarHBondContact O-N 2.91Å; W495-K499 HydrophobicContact CE3-CB 4.21Å; W495-K499 HydrophobicContact CH2-CB 4Å; W495-K499 HydrophobicContact CH2-CD 3.76Å; W495-K499 HydrophobicContact CH2-CG 3.74Å; W495-K499 HydrophobicContact CZ2-CB 4.43Å; W495-K499 HydrophobicContact CZ2-CD 3.89Å; W495-K499 HydrophobicContact CZ2-CG 4.3Å; W495-K499 HydrophobicContact CZ3-CB 3.89Å; W495-K499 HydrophobicContact CZ3-CG 4.04Å; W495-K499 WeakPolarHBondContact O-CB 3.42Å; W495-K499 PolarHBondContact O-N 3.29Å |
| 496 | F | 98.3 | Very high | 97.1 | Very high | 8 Ų | 8 | 62.4 Ų | 62.4 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.1 | -29.2 | 176.4 | -88.7 | -100.3 | 0 | 0 | 0 | 113.4 | L463 R466 F467 S470 L473 L481 V492 I494 R500 | L463-F496 HydrophobicContact CD2-CE2 3.93Å; R466-F496 HydrophobicContact CB-CZ 4.22Å; R466-F496 HydrophobicContact CG-CZ 3.93Å; F467-F496 HydrophobicContact CB-CE1 4.16Å; F467-F496 HydrophobicContact CB-CZ 4.34Å; F467-F496 AromaticContact CD2-CD1 3.72Å; F467-F496 HydrophobicContact CD2-CD1 3.72Å; F467-F496 AromaticContact CD2-CE1 3.72Å; F467-F496 HydrophobicContact CD2-CE1 3.72Å; F467-F496 HydrophobicContact CD2-CG 4.49Å; F467-F496 HydrophobicContact CD2-CZ 4.48Å; F467-F496 HydrophobicContact CE2-CD1 4.29Å; F467-F496 HydrophobicContact CG-CE1 4.42Å; S470-F496 WeakPolarHBondContact O-CE1 3.38Å; L473-F496 HydrophobicContact CD1-CD1 4.4Å; L473-F496 HydrophobicContact CD1-CD2 4.01Å; L473-F496 HydrophobicContact CD1-CE1 4.04Å; L473-F496 HydrophobicContact CD1-CE2 3.64Å; L473-F496 HydrophobicContact CD1-CG 4.4Å; L473-F496 HydrophobicContact CD1-CZ 3.67Å; L473-F496 HydrophobicContact CD2-CE1 3.86Å; L473-F496 HydrophobicContact CD2-CZ 4.02Å; L473-F496 HydrophobicContact CG-CD1 3.97Å; L473-F496 HydrophobicContact CG-CD2 4.44Å; L473-F496 HydrophobicContact CG-CE1 3.69Å; L473-F496 HydrophobicContact CG-CE2 4.21Å; L473-F496 HydrophobicContact CG-CG 4.35Å; L473-F496 HydrophobicContact CG-CZ 3.85Å; L481-F496 HydrophobicContact CD2-CE2 3.87Å; L481-F496 HydrophobicContact CD2-CZ 4.23Å; V492-F496 HydrophobicContact CG1-CD2 3.81Å; V492-F496 HydrophobicContact CG1-CE2 3.99Å; V492-F496 WeakPolarHBondContact O-CD2 3.49Å; V492-F496 PolarHBondContact O-N 3.1Å; I494-F496 PolarHBondContact O-N 3.49Å; F496-R500 WeakPolarHBondContact O-CB 3.26Å; F496-R500 WeakPolarHBondContact O-CG 3.31Å; F496-R500 PolarHBondContact O-N 2.81Å; F496-R500 PolarHBondContact O-NE 3.48Å |
| 497 | Q | 97.7 | Very high | 96.8 | Very high | 98 Ų | 98 | 64.7 Ų | 64.7 | 46% | 0.458 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -72.2 | -39.5 | 172.5 | -176.1 | 171.4 | -0.5 | 0 | 0 | 111.7 | K493 I494 W495 S501 | K493-Q497 WeakPolarHBondContact O-CB 3.36Å; K493-Q497 PolarHBondContact O-N 2.73Å; I494-Q497 WeakPolarHBondContact O-CB 3.39Å; I494-Q497 PolarHBondContact O-N 3.1Å; I494-Q497 VanDerWaalsContact O-N 3.15Å; W495-Q497 VanDerWaalsContact C-N 3.3Å; W495-Q497 PolarHBondContact O-N 2.97Å; Q497-S501 WeakPolarHBondContact O-CB 3.32Å; Q497-S501 PolarHBondContact O-N 3.44Å; Q497-S501 VanDerWaalsContact O-N 3.08Å; Q497-S501 PolarHBondContact O-OG 2.88Å |
| 498 | N | 97.8 | Very high | 96.6 | Very high | 98 Ų | 98 | 73.3 Ų | 73.3 | 52% | 0.524 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.6 | -47 | 177.5 | -69.4 | -7.4 | 0 | 0 | 0 | 111.8 | I494 W495 R500 S501 K502 | I494-N498 VanDerWaalsContact O-CG 3.29Å; I494-N498 PolarHBondContact O-N 3.19Å; W495-N498 PolarHBondContact O-N 2.91Å; N498-R500 PolarHBondContact O-N 2.89Å; N498-S501 CarbonylContact O-C 3.57Å; N498-S501 WeakPolarHBondContact O-CA 3.28Å; N498-S501 WeakPolarHBondContact O-CB 3.38Å; N498-S501 PolarHBondContact O-N 3.39Å; N498-K502 PolarHBondContact O-N 3.47Å |
| 499 | K | 97.4 | Very high | 96.3 | Very high | 9 Ų | 9 | 76 Ų | 76 | 4% | 0.039 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 178.4 | -167.1 | 83.4 | -175.7 | -175.8 | 0 | 111.8 | N464 F467 W495 S501 K502 L503 F516 D523 | N464-K499 WeakPolarHBondContact OD1-CE 3.16Å; N464-K499 PolarHBondContact OD1-NZ 2.97Å; F467-K499 HydrophobicContact CD1-CG 3.76Å; F467-K499 HydrophobicContact CD2-CB 3.96Å; F467-K499 HydrophobicContact CD2-CG 3.73Å; F467-K499 HydrophobicContact CE1-CG 3.64Å; F467-K499 HydrophobicContact CE2-CB 3.64Å; F467-K499 HydrophobicContact CE2-CG 3.6Å; F467-K499 HydrophobicContact CG-CG 3.81Å; F467-K499 HydrophobicContact CZ-CB 3.97Å; F467-K499 HydrophobicContact CZ-CG 3.56Å; W495-K499 HydrophobicContact CE3-CB 4.21Å; W495-K499 HydrophobicContact CH2-CB 4Å; W495-K499 HydrophobicContact CH2-CD 3.76Å; W495-K499 HydrophobicContact CH2-CG 3.74Å; W495-K499 HydrophobicContact CZ2-CB 4.43Å; W495-K499 HydrophobicContact CZ2-CD 3.89Å; W495-K499 HydrophobicContact CZ2-CG 4.3Å; W495-K499 HydrophobicContact CZ3-CB 3.89Å; W495-K499 HydrophobicContact CZ3-CG 4.04Å; W495-K499 WeakPolarHBondContact O-CB 3.42Å; W495-K499 PolarHBondContact O-N 3.29Å; K499-S501 VanDerWaalsContact C-N 3.29Å; K499-S501 PolarHBondContact O-N 3.1Å; K499-K502 PolarHBondContact O-N 3.43Å; K499-L503 PolarHBondContact O-N 3.38Å; K499-F516 HydrophobicContact CD-CE1 4.11Å; K499-F516 HydrophobicContact CD-CE2 4.28Å; K499-F516 HydrophobicContact CD-CZ 3.53Å; K499-F516 HydrophobicContact CG-CE1 4.16Å; K499-F516 HydrophobicContact CG-CZ 3.96Å; K499-D523 IonicContact NZ-OD1 2.64Å; K499-D523 IonicContact NZ-OD2 2.68Å; K499-D523 PolarHBondContact NZ-OD2 3.05Å |
| 500 | R | 97.5 | Very high | 95.9 | Very high | 75 Ų | 75 | 75.8 Ų | 75.8 | 28% | 0.283 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.7 | -34.5 | 169.3 | -80.4 | -174.8 | -67 | 143.3 | -0.7 | 113.2 | F467 Q471 Y472 F496 N498 K504 | F467-R500 HydrophobicContact CE2-CG 3.82Å; F467-R500 HydrophobicContact CZ-CG 3.93Å; Q471-R500 HydrophobicContact CB-CG 4.3Å; Q471-R500 VanDerWaalsContact O-CD 3.3Å; Q471-R500 WeakPolarHBondContact O-CD 3.02Å; Y472-R500 VanDerWaalsContact CZ-CD 3.46Å; F496-R500 WeakPolarHBondContact O-CB 3.26Å; F496-R500 WeakPolarHBondContact O-CG 3.31Å; F496-R500 PolarHBondContact O-N 2.81Å; F496-R500 PolarHBondContact O-NE 3.48Å; N498-R500 PolarHBondContact O-N 2.89Å; R500-K504 WeakPolarHBondContact O-CB 3.47Å; R500-K504 PolarHBondContact O-N 2.85Å |
| 501 | S | 97.5 | Very high | 95.4 | Very high | 54 Ų | 54 | 76.6 Ų | 76.6 | 38% | 0.378 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -72.9 | -37.1 | 178.6 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | Q497 N498 K499 K504 K505 | Q497-S501 WeakPolarHBondContact O-CB 3.32Å; Q497-S501 PolarHBondContact O-N 3.44Å; Q497-S501 VanDerWaalsContact O-N 3.08Å; Q497-S501 PolarHBondContact O-OG 2.88Å; N498-S501 CarbonylContact O-C 3.57Å; N498-S501 WeakPolarHBondContact O-CA 3.28Å; N498-S501 WeakPolarHBondContact O-CB 3.38Å; N498-S501 PolarHBondContact O-N 3.39Å; K499-S501 VanDerWaalsContact C-N 3.29Å; K499-S501 PolarHBondContact O-N 3.1Å; S501-K504 PolarHBondContact O-N 2.98Å; S501-K505 PolarHBondContact O-N 3.08Å; S501-K505 VanDerWaalsContact O-N 3.12Å |
| 502 | K | 96 | Very high | 94.9 | Very high | 64 Ų | 64 | 79.3 Ų | 79.3 | 28% | 0.278 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65 | -46.6 | 171.3 | -167.7 | 168.9 | 171.6 | -176.8 | 0 | 110.4 | N498 K499 K504 K505 I506 F516 D523 D527 | N498-K502 PolarHBondContact O-N 3.47Å; K499-K502 PolarHBondContact O-N 3.43Å; K502-K504 PolarHBondContact O-N 3.35Å; K502-K505 WeakPolarHBondContact O-CB 2.88Å; K502-K505 PolarHBondContact O-N 3.32Å; K502-K505 VanDerWaalsContact O-N 3.08Å; K502-I506 HydrophobicContact CG-CD1 4.28Å; K502-I506 WeakPolarHBondContact O-CG1 3.31Å; K502-I506 PolarHBondContact O-N 3.49Å; K502-I506 VanDerWaalsContact O-N 3.1Å; K502-F516 HydrophobicContact CB-CE2 4.06Å; K502-F516 HydrophobicContact CB-CZ 3.74Å; K502-F516 HydrophobicContact CD-CE2 3.56Å; K502-F516 HydrophobicContact CD-CZ 4.05Å; K502-F516 HydrophobicContact CG-CD2 4.43Å; K502-F516 HydrophobicContact CG-CE2 3.53Å; K502-F516 HydrophobicContact CG-CZ 3.78Å; K502-D523 IonicContact NZ-OD1 3.13Å; K502-D523 PolarHBondContact NZ-OD1 2.9Å; K502-D527 IonicContact NZ-OD2 3.16Å |
| 503 | L | 95.7 | Very high | 94.4 | Very high | 21 Ų | 21 | 81.1 Ų | 81.1 | 11% | 0.11 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -54 | -46.5 | 171.7 | 179.7 | 60.5 | 0 | 0 | 0 | 113 | F467 K499 K505 I506 L507 P513 F516 L517 | F467-L503 HydrophobicContact CE1-CD2 4.42Å; F467-L503 HydrophobicContact CZ-CD2 4.42Å; K499-L503 PolarHBondContact O-N 3.38Å; L503-K505 VanDerWaalsContact C-N 3.3Å; L503-K505 PolarHBondContact O-N 3.18Å; L503-I506 PolarHBondContact O-N 3.45Å; L503-L507 PolarHBondContact O-N 3.02Å; L503-P513 HydrophobicContact CD1-CB 3.71Å; L503-F516 HydrophobicContact CB-CD1 4.05Å; L503-F516 HydrophobicContact CB-CE1 3.69Å; L503-F516 HydrophobicContact CD1-CD1 3.91Å; L503-F516 HydrophobicContact CD1-CE1 4.41Å; L503-L517 HydrophobicContact CD2-CD2 4.49Å |
| 504 | K | 95.7 | Very high | 93.9 | Very high | 139 Ų | 139 | 79.7 Ų | 79.7 | 60% | 0.604 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -67.2 | -27.1 | 179 | -172.3 | 175.8 | 65.4 | 172.9 | 0 | 113.2 | R500 S501 K502 R508 | R500-K504 WeakPolarHBondContact O-CB 3.47Å; R500-K504 PolarHBondContact O-N 2.85Å; S501-K504 PolarHBondContact O-N 2.98Å; K502-K504 PolarHBondContact O-N 3.35Å; K504-R508 VanDerWaalsContact O-CG 3.29Å; K504-R508 WeakPolarHBondContact O-CG 3.47Å; K504-R508 PolarHBondContact O-N 3.31Å |
| 505 | K | 94.8 | Very high | 93.3 | Very high | 146 Ų | 146 | 78 Ų | 78 | 64% | 0.635 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -68.6 | -51.1 | 171.1 | -74.6 | 179.5 | 175.3 | -173.5 | 0 | 110.5 | S501 K502 L503 L507 R508 Q509 | S501-K505 PolarHBondContact O-N 3.08Å; S501-K505 VanDerWaalsContact O-N 3.12Å; K502-K505 WeakPolarHBondContact O-CB 2.88Å; K502-K505 PolarHBondContact O-N 3.32Å; K502-K505 VanDerWaalsContact O-N 3.08Å; L503-K505 VanDerWaalsContact C-N 3.3Å; L503-K505 PolarHBondContact O-N 3.18Å; K505-L507 PolarHBondContact O-N 3.31Å; K505-R508 WeakPolarHBondContact O-CB 3.24Å; K505-R508 PolarHBondContact O-N 3.15Å; K505-R508 VanDerWaalsContact O-N 3.07Å; K505-Q509 PolarHBondContact O-N 3.23Å; K505-Q509 VanDerWaalsContact O-N 3.12Å |
| 506 | I | 92.8 | Very high | 92.8 | Very high | 21 Ų | 21 | 77.1 Ų | 77.1 | 11% | 0.108 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -57.3 | -49.6 | -179.1 | -67.3 | 168 | 0 | 0 | 0 | 110.9 | K502 L503 R508 Q509 G510 Q511 F516 | K502-I506 HydrophobicContact CG-CD1 4.28Å; K502-I506 WeakPolarHBondContact O-CG1 3.31Å; K502-I506 PolarHBondContact O-N 3.49Å; K502-I506 VanDerWaalsContact O-N 3.1Å; L503-I506 PolarHBondContact O-N 3.45Å; I506-R508 VanDerWaalsContact C-N 3.27Å; I506-R508 PolarHBondContact O-N 2.86Å; I506-Q509 WeakPolarHBondContact O-CA 3.39Å; I506-Q509 WeakPolarHBondContact O-CB 3.34Å; I506-Q509 PolarHBondContact O-N 2.92Å; I506-G510 PolarHBondContact O-N 3.45Å; I506-Q511 HydrophobicContact CG2-CB 3.69Å; I506-Q511 PolarHBondContact O-N 3.25Å; I506-F516 HydrophobicContact CD1-CB 3.77Å; I506-F516 HydrophobicContact CD1-CD1 4.17Å; I506-F516 HydrophobicContact CD1-CD2 3.34Å; I506-F516 HydrophobicContact CD1-CE2 3.95Å; I506-F516 HydrophobicContact CD1-CG 3.45Å; I506-F516 VanDerWaalsContact CD1-CG 3.45Å |
| 507 | L | 92 | Very high | 92.4 | Very high | 118 Ų | 118 | 78.8 Ų | 78.8 | 62% | 0.618 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62 | -31.2 | 177.4 | -174.9 | 62.6 | 0 | 0 | 0 | 113.2 | L503 K505 Q509 | L503-L507 PolarHBondContact O-N 3.02Å; K505-L507 PolarHBondContact O-N 3.31Å; L507-Q509 VanDerWaalsContact C-N 3.32Å |
| 508 | R | 93.2 | Very high | 91.5 | Very high | 201 Ų | 201 | 79.7 Ų | 79.7 | 76% | 0.758 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -77.1 | -15.2 | 173.6 | -75.9 | 178.3 | 71.1 | -96.5 | 3.2 | 113.8 | K504 K505 I506 | K504-R508 VanDerWaalsContact O-CG 3.29Å; K504-R508 WeakPolarHBondContact O-CG 3.47Å; K504-R508 PolarHBondContact O-N 3.31Å; K505-R508 WeakPolarHBondContact O-CB 3.24Å; K505-R508 PolarHBondContact O-N 3.15Å; K505-R508 VanDerWaalsContact O-N 3.07Å; I506-R508 VanDerWaalsContact C-N 3.27Å; I506-R508 PolarHBondContact O-N 2.86Å |
| 509 | Q | 92.3 | Very high | 90 | Very high | 131 Ų | 131 | 76.5 Ų | 76.5 | 61% | 0.612 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 0.8 | 175.5 | -71.8 | 169.7 | -41.2 | 0 | 0 | 112.2 | K505 I506 L507 Q511 | K505-Q509 PolarHBondContact O-N 3.23Å; K505-Q509 VanDerWaalsContact O-N 3.12Å; I506-Q509 WeakPolarHBondContact O-CA 3.39Å; I506-Q509 WeakPolarHBondContact O-CB 3.34Å; I506-Q509 PolarHBondContact O-N 2.92Å; L507-Q509 VanDerWaalsContact C-N 3.32Å; Q509-Q511 HydrophobicContact CB-CG 4.27Å; Q509-Q511 PolarHBondContact O-N 3.15Å |
| 510 | G | 89 | Confident | 88.1 | Confident | 73 Ų | 73 | 81.2 Ų | 81.2 | 75% | 0.753 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 9.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | I506 | I506-G510 PolarHBondContact O-N 3.45Š|
| 511 | Q | 86.7 | Confident | 86 | Confident | 108 Ų | 108 | 80.4 Ų | 80.4 | 51% | 0.505 | 44% | 0.435 | S | S | . | . | | | trans | -75.4 | 145 | 175 | -70.1 | 177.9 | -13.7 | 0 | 0 | 110.4 | I506 Q509 P513 | I506-Q511 HydrophobicContact CG2-CB 3.69Å; I506-Q511 PolarHBondContact O-N 3.25Å; Q509-Q511 HydrophobicContact CB-CG 4.27Å; Q509-Q511 PolarHBondContact O-N 3.15Å; Q511-P513 WeakPolarHBondContact O-CD 3.05Å |
| 512 | D | 87.3 | Confident | 83.6 | Confident | 101 Ų | 101 | 84.1 Ų | 84.1 | 54% | 0.54 | 45% | 0.45 | S | S | . | . | | | trans | -67 | 120.3 | 177.4 | -177.1 | 0.4 | 0 | 0 | 0 | 110.8 | T514 | D512-T514 PolarHBondContact O-N 2.79Å; D512-T514 VanDerWaalsContact OD1-CG2 3.26Å; D512-T514 WeakPolarHBondContact OD1-CG2 3.38Å; D512-T514 PolarHBondContact OD1-N 2.96Å; D512-T514 PolarHBondContact OD1-OG1 3.2Å; D512-T514 PolarHBondContact OD2-OG1 3.01Å |
| 513 | P | 88 | Confident | 81.7 | Confident | 38 Ų | 38 | 82.8 Ų | 82.8 | 25% | 0.247 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -67.9 | -12.2 | 176.8 | 29.5 | -37.2 | 0 | 0 | 0 | 114.5 | L503 Q511 A515 F516 L517 | L503-P513 HydrophobicContact CD1-CB 3.71Å; Q511-P513 WeakPolarHBondContact O-CD 3.05Å; P513-A515 PolarHBondContact O-N 2.94Å; P513-F516 PolarHBondContact O-N 3.4Å; P513-L517 WeakPolarHBondContact O-CG 3.42Å; P513-L517 PolarHBondContact O-N 3.47Å |
| 514 | T | 87.2 | Confident | 79.4 | Confident | 71 Ų | 71 | 85 Ų | 85 | 44% | 0.436 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -55.9 | -48.6 | -179 | 59.3 | 0 | 0 | 0 | 0 | 112.4 | D512 F516 L517 N518 | D512-T514 PolarHBondContact O-N 2.79Å; D512-T514 VanDerWaalsContact OD1-CG2 3.26Å; D512-T514 WeakPolarHBondContact OD1-CG2 3.38Å; D512-T514 PolarHBondContact OD1-N 2.96Å; D512-T514 PolarHBondContact OD1-OG1 3.2Å; D512-T514 PolarHBondContact OD2-OG1 3.01Å; T514-F516 VanDerWaalsContact C-N 3.3Å; T514-F516 PolarHBondContact O-N 3.44Å; T514-L517 PolarHBondContact O-N 3.1Å; T514-N518 VanDerWaalsContact O-CB 3.31Å; T514-N518 WeakPolarHBondContact O-CB 3.24Å; T514-N518 PolarHBondContact O-N 2.89Å |
| 515 | A | 83.9 | Confident | 77.1 | Confident | 42 Ų | 42 | 82.9 Ų | 82.9 | 35% | 0.347 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.3 | -36.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P513 T520 | P513-A515 PolarHBondContact O-N 2.94Å; A515-T520 PolarHBondContact O-OG1 3.2Å |
| 516 | F | 88.4 | Confident | 74.6 | Confident | 4 Ų | 4 | 82.8 Ų | 82.8 | 2% | 0.018 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -73.2 | -36.1 | 178.4 | 179.5 | -101.8 | 0 | 0 | 0 | 113.1 | F467 K499 K502 L503 I506 P513 T514 | F467-F516 HydrophobicContact CE1-CE1 4.44Å; K499-F516 HydrophobicContact CD-CE1 4.11Å; K499-F516 HydrophobicContact CD-CE2 4.28Å; K499-F516 HydrophobicContact CD-CZ 3.53Å; K499-F516 HydrophobicContact CG-CE1 4.16Å; K499-F516 HydrophobicContact CG-CZ 3.96Å; K502-F516 HydrophobicContact CB-CE2 4.06Å; K502-F516 HydrophobicContact CB-CZ 3.74Å; K502-F516 HydrophobicContact CD-CE2 3.56Å; K502-F516 HydrophobicContact CD-CZ 4.05Å; K502-F516 HydrophobicContact CG-CD2 4.43Å; K502-F516 HydrophobicContact CG-CE2 3.53Å; K502-F516 HydrophobicContact CG-CZ 3.78Å; L503-F516 HydrophobicContact CB-CD1 4.05Å; L503-F516 HydrophobicContact CB-CE1 3.69Å; L503-F516 HydrophobicContact CD1-CD1 3.91Å; L503-F516 HydrophobicContact CD1-CE1 4.41Å; I506-F516 HydrophobicContact CD1-CB 3.77Å; I506-F516 HydrophobicContact CD1-CD1 4.17Å; I506-F516 HydrophobicContact CD1-CD2 3.34Å; I506-F516 HydrophobicContact CD1-CE2 3.95Å; I506-F516 HydrophobicContact CD1-CG 3.45Å; I506-F516 VanDerWaalsContact CD1-CG 3.45Å; P513-F516 PolarHBondContact O-N 3.4Å; T514-F516 VanDerWaalsContact C-N 3.3Å; T514-F516 PolarHBondContact O-N 3.44Å |
| 517 | L | 88.7 | Confident | 72.2 | Confident | 42 Ų | 42 | 88.2 Ų | 88.2 | 22% | 0.22 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -73.2 | -42 | 176 | -69.8 | 175.8 | 0 | 0 | 0 | 111.2 | F467 V468 L503 P513 T514 G519 | F467-L517 HydrophobicContact CD1-CD2 4.08Å; F467-L517 HydrophobicContact CE1-CD2 3.82Å; V468-L517 WeakPolarHBondContact CG2-O 3.3Å; L503-L517 HydrophobicContact CD2-CD2 4.49Å; P513-L517 WeakPolarHBondContact O-CG 3.42Å; P513-L517 PolarHBondContact O-N 3.47Å; T514-L517 PolarHBondContact O-N 3.1Å; L517-G519 PolarHBondContact O-N 2.9Å |
| 518 | N | 79.1 | Confident | 70 | Confident | 118 Ų | 118 | 88 Ų | 88 | 63% | 0.631 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | 0.8 | -178.6 | -66.9 | -6.9 | 0 | 0 | 0 | 114.1 | T514 T520 | T514-N518 VanDerWaalsContact O-CB 3.31Å; T514-N518 WeakPolarHBondContact O-CB 3.24Å; T514-N518 PolarHBondContact O-N 2.89Å; N518-T520 PolarHBondContact O-N 3.09Å |
| 519 | G | 67.9 | Low | 67.4 | Low | 30 Ų | 30 | 86.2 Ų | 86.2 | 31% | 0.309 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 6.6 | 172 | 0 | 0 | 0 | 0 | 0 | 115.3 | L517 T521 | L517-G519 PolarHBondContact O-N 2.9Å; G519-T521 VanDerWaalsContact C-N 3.28Å; G519-T521 PolarHBondContact O-N 3.37Å |
| 520 | T | 56 | Low | 64.7 | Low | 108 Ų | 108 | 86.5 Ų | 86.5 | 66% | 0.663 | 50% | 0.495 | S | S | * | . | | | trans | -75 | -16.3 | -180 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | A515 N518 N522 | A515-T520 PolarHBondContact O-OG1 3.2Å; N518-T520 PolarHBondContact O-N 3.09Å; T520-N522 PolarHBondContact O-N 2.98Å |
| 521 | T | 54.1 | Low | 62 | Low | 59 Ų | 59 | 86.9 Ų | 86.9 | 36% | 0.362 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -80.1 | 104 | 160.7 | 62 | 0 | 0 | 0 | 0 | 109 | G519 D523 | G519-T521 VanDerWaalsContact C-N 3.28Å; G519-T521 PolarHBondContact O-N 3.37Å; T521-D523 PolarHBondContact O-N 3.42Å; T521-D523 VanDerWaalsContact O-N 3.17Å |
| 522 | N | 46.9 | Very low | 59.5 | Low | 131 Ų | 131 | 84.4 Ų | 84.4 | 70% | 0.701 | 49% | 0.493 | S | S | * | . | | | trans | -52.6 | 121.1 | 174.8 | -69.7 | -32.3 | 0 | 0 | 0 | 110.3 | T520 T524 | T520-N522 PolarHBondContact O-N 2.98Å; N522-T524 WeakPolarHBondContact CB-OG1 3.41Å; N522-T524 PolarHBondContact O-N 3.36Å |
| 523 | D | 56.1 | Low | 57.2 | Low | 37 Ų | 37 | 87.6 Ų | 87.6 | 20% | 0.198 | 51% | 0.511 | C | S | . | . | | | trans | -80.4 | 52.5 | 171.7 | -71.2 | -55.9 | 0 | 0 | 0 | 110.2 | N464 K499 K502 T521 | N464-D523 PolarHBondContact ND2-OD2 3.19Å; K499-D523 IonicContact NZ-OD1 2.64Å; K499-D523 IonicContact NZ-OD2 2.68Å; K499-D523 PolarHBondContact NZ-OD2 3.05Å; K502-D523 IonicContact NZ-OD1 3.13Å; K502-D523 PolarHBondContact NZ-OD1 2.9Å; T521-D523 PolarHBondContact O-N 3.42Å; T521-D523 VanDerWaalsContact O-N 3.17Å |
| 524 | T | 48.1 | Very low | 55 | Low | 68 Ų | 68 | 94.9 Ų | 94.9 | 42% | 0.417 | 53% | 0.534 | S | S | . | . | | | trans | -65 | 139.6 | 176.8 | -39.7 | 0 | 0 | 0 | 0 | 109.8 | N522 E526 | N522-T524 WeakPolarHBondContact CB-OG1 3.41Å; N522-T524 PolarHBondContact O-N 3.36Å; T524-E526 HydrophobicContact CG2-CG 4.06Å; T524-E526 PolarHBondContact O-N 2.9Å |
| 525 | P | 47.4 | Very low | 52.9 | Low | 94 Ų | 94 | 100.7 Ų | 100.7 | 61% | 0.61 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 13.7 | -175.4 | -24.1 | 36 | 0 | 0 | 0 | 117.9 | | |
| 526 | E | 41.2 | Very low | 50.9 | Low | 143 Ų | 143 | 107.3 Ų | 107.3 | 67% | 0.668 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -20.6 | -164.5 | -64.7 | -179.1 | 148.4 | 0 | 0 | 114.4 | T524 D528 Q529 | T524-E526 HydrophobicContact CG2-CG 4.06Å; T524-E526 PolarHBondContact O-N 2.9Å; E526-D528 PolarHBondContact O-N 3.47Å; E526-Q529 PolarHBondContact O-N 3.49Å |
| 527 | D | 43.1 | Very low | 48.7 | Very low | 135 Ų | 135 | 113.3 Ų | 113.3 | 72% | 0.722 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 6.5 | 178.7 | -76 | -14.8 | 0 | 0 | 0 | 115.8 | K502 | K502-D527 IonicContact NZ-OD2 3.16Š|
| 528 | D | 45.2 | Very low | 46.7 | Very low | 115 Ų | 115 | 115.6 Ų | 115.6 | 62% | 0.615 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | 6.5 | 179.9 | -104.3 | -27.3 | 0 | 0 | 0 | 113.2 | R452 E526 | R452-D528 IonicContact CZ-OD2 3.99Å; R452-D528 IonicContact NH1-OD2 2.77Å; R452-D528 PolarHBondContact NH1-OD2 3.07Å; R452-D528 IonicContact NH2-OD2 2.85Å; R452-D528 PolarHBondContact NH2-OD2 3.46Å; E526-D528 PolarHBondContact O-N 3.47Å |
| 529 | Q | 38.6 | Very low | 45 | Very low | 163 Ų | 163 | 117.1 Ų | 117.1 | 76% | 0.762 | 64% | 0.635 | S | S | * | * | | | trans | -86.2 | 129.6 | 167.6 | -68.6 | -166.5 | 5.9 | 0 | 0 | 111.4 | E526 | E526-Q529 PolarHBondContact O-N 3.49Š|
| 530 | M | 35.4 | Very low | 43.8 | Very low | 137 Ų | 137 | 121.4 Ų | 121.4 | 68% | 0.675 | 66% | 0.661 | S | S | * | * | | | trans | 40.5 | 115.1 | 155.9 | -50.4 | -56.9 | -73.5 | 0 | 0 | 117.7 | S532 | M530-S532 VanDerWaalsContact C-N 3.32Š|
| 531 | G | 32.7 | Very low | 43.1 | Very low | 81 Ų | 81 | 123.9 Ų | 123.9 | 84% | 0.835 | 67% | 0.669 | S | S | * | * | | | cis | 68.9 | 28.8 | 20.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 532 | S | 34.2 | Very low | 42.4 | Very low | 55 Ų | 55 | 128 Ų | 128 | 39% | 0.385 | 69% | 0.689 | S | S | . | * | | | trans | -141.2 | 85.6 | 173 | 54.5 | 0 | 0 | 0 | 0 | 110.6 | M530 Y534 | M530-S532 VanDerWaalsContact C-N 3.32Å; S532-Y534 VanDerWaalsContact C-N 3.32Å; S532-Y534 PolarHBondContact O-N 3.43Å; S532-Y534 VanDerWaalsContact O-N 3.08Å |
| 533 | D | 39.6 | Very low | 41.9 | Very low | 169 Ų | 169 | 127.9 Ų | 127.9 | 90% | 0.904 | 70% | 0.696 | S | S | * | * | | | trans | -69.9 | 94.5 | 158.5 | -60.3 | -62.6 | 0 | 0 | 0 | 107.5 | | |
| 534 | Y | 40.3 | Very low | 41.1 | Very low | 190 Ų | 190 | 129.3 Ų | 129.3 | 75% | 0.745 | 72% | 0.72 | S | S | * | * | | | trans | -119.9 | 118.2 | 167.3 | -61.2 | -41.8 | 0 | 0 | 0 | 107.6 | S532 E536 | S532-Y534 VanDerWaalsContact C-N 3.32Å; S532-Y534 PolarHBondContact O-N 3.43Å; S532-Y534 VanDerWaalsContact O-N 3.08Å; Y534-E536 PolarHBondContact O-N 2.96Å |
| 535 | E | 45.1 | Very low | 40.5 | Very low | 194 Ų | 194 | 133.3 Ų | 133.3 | 91% | 0.907 | 74% | 0.739 | S | S | * | * | | | trans | -69 | 126.5 | 177.2 | -64.3 | 179.4 | 124.4 | 0 | 0 | 109.3 | D537 | E535-D537 PolarHBondContact O-N 2.74Š|
| 536 | E | 41.7 | Very low | 40 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | | | trans | -81.7 | 64.8 | -178.6 | -165.6 | 171.1 | -137.6 | 0 | 0 | 110.5 | Y534 S538 | Y534-E536 PolarHBondContact O-N 2.96Å; E536-S538 PolarHBondContact O-N 3.36Å; E536-S538 PolarHBondContact O-OG 3.25Å |
| 537 | D | 41.5 | Very low | 39.8 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | | | trans | -73.1 | 72.8 | -176.9 | -156.5 | 16.8 | 0 | 0 | 0 | 111 | E535 H539 | E535-D537 PolarHBondContact O-N 2.74Å; D537-H539 PolarHBondContact O-N 3.41Å |
| 538 | S | 47.6 | Very low | 39.7 | Very low | 90 Ų | 90 | 136.8 Ų | 136.8 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | | | trans | -79 | 80.3 | -170.2 | 42.3 | 0 | 0 | 0 | 0 | 111.5 | E536 S540 | E536-S538 PolarHBondContact O-N 3.36Å; E536-S538 PolarHBondContact O-OG 3.25Å; S538-S540 PolarHBondContact O-N 3.46Å |
| 539 | H | 42 | Very low | 39.4 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 69% | 0.69 | 77% | 0.771 | S | S | * | * | | | trans | -49.8 | 92.1 | 176.1 | -70.7 | -37 | 0 | 0 | 0 | 113.6 | D537 L541 | D537-H539 PolarHBondContact O-N 3.41Å; H539-L541 PolarHBondContact O-N 2.81Å |
| 540 | S | 42.7 | Very low | 39.3 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | | | trans | -77.7 | 64.6 | 171.1 | -69.7 | 0 | 0 | 0 | 0 | 111.5 | S538 N542 | S538-S540 PolarHBondContact O-N 3.46Å; S540-N542 PolarHBondContact O-N 3.25Å |
| 541 | L | 42.5 | Very low | 39.4 | Very low | 160 Ų | 160 | 134.3 Ų | 134.3 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | | | trans | -81.1 | 80.8 | 173.1 | -76.5 | 179.1 | 0 | 0 | 0 | 111.7 | H539 | H539-L541 PolarHBondContact O-N 2.81Š|
| 542 | N | 39 | Very low | 39.8 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | | | trans | -161.1 | 104 | 138.1 | -157.8 | -6.3 | 0 | 0 | 0 | 114.6 | S540 G544 | S540-N542 PolarHBondContact O-N 3.25Å; N542-G544 PolarHBondContact OD1-N 3.39Å |
| 543 | C | 35.7 | Very low | 40.1 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 86% | 0.858 | 78% | 0.783 | S | S | * | * | | | trans | -150.3 | 69.8 | 141.8 | 52.9 | 0 | 0 | 0 | 0 | 109.5 | D545 | C543-D545 PolarHBondContact O-N 3.47Š|
| 544 | G | 38.8 | Very low | 40 | Very low | 67 Ų | 67 | 140.6 Ų | 140.6 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | | | trans | -70.8 | 114.9 | 169 | 0 | 0 | 0 | 0 | 0 | 110.9 | N542 | N542-G544 PolarHBondContact OD1-N 3.39Š|
| 545 | D | 35.7 | Very low | 39.8 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -139.9 | 99.7 | 155.9 | -155.6 | -15.3 | 0 | 0 | 0 | 110 | C543 | C543-D545 PolarHBondContact O-N 3.47Š|
| 546 | T | 37.7 | Very low | 39.3 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | | | trans | -93.7 | 104.8 | -173.2 | 50.5 | 0 | 0 | 0 | 0 | 111 | | |
| 547 | S | 36.9 | Very low | 39.1 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | | | trans | -149.4 | 110.6 | 163.4 | 58.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 548 | K | 41.8 | Very low | 39.1 | Very low | 208 Ų | 208 | 131.3 Ų | 131.3 | 90% | 0.904 | 75% | 0.745 | S | S | * | * | | | trans | 157.6 | 88.9 | 139.1 | -86.8 | 162.2 | -175.3 | 173 | 0 | 111.9 | | |
| 549 | L | 37.3 | Very low | 38.9 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 86% | 0.859 | 75% | 0.751 | S | S | * | * | | | trans | -145 | 121.2 | 154.2 | -107.2 | 171 | 0 | 0 | 0 | 109.3 | | |
| 550 | S | 36.9 | Very low | 38.8 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | | | trans | 52.8 | 133.2 | 162.1 | 59.6 | 0 | 0 | 0 | 0 | 121.2 | | |
| 551 | S | 38.8 | Very low | 38.6 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | | | | 33.1 | 140.1 | 126.4 | -66.2 | 0 | 0 | 0 | 0 | 121.6 | | |
| 552 | D | 39.6 | Very low | 38.3 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | | | cis | -166.7 | 179.8 | -2.2 | -103.3 | -41.1 | 0 | 0 | 0 | 109 | | |
| 553 | Q | 41.2 | Very low | 38.3 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 77% | 0.771 | 73% | 0.728 | S | S | * | * | | | trans | 83.9 | 122.8 | 162.6 | -47.2 | -158.4 | -6.2 | 0 | 0 | 116.7 | | |
| 554 | I | 37.7 | Very low | 38.3 | Very low | 137 Ų | 137 | 134 Ų | 134 | 70% | 0.703 | 72% | 0.723 | S | S | * | * | | | | 75 | 120.9 | 99.8 | -66.1 | 173.1 | 0 | 0 | 0 | 112.1 | | |
| 555 | E | 35.4 | Very low | 38.2 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | | | cis | -165.7 | -177.6 | 0.5 | -137.5 | 175 | 170.1 | 0 | 0 | 112.1 | | |
| 556 | Y | 35.3 | Very low | 38.1 | Very low | 182 Ų | 182 | 137.6 Ų | 137.6 | 71% | 0.714 | 73% | 0.73 | S | S | * | * | | | trans | 55.8 | 114.1 | 154.1 | -76.5 | -59.5 | 0 | 0 | 0 | 122.8 | | |
| 557 | S | 37.9 | Very low | 38.1 | Very low | 103 Ų | 103 | 138 Ų | 138 | 72% | 0.72 | 73% | 0.725 | S | S | * | * | | | | 65.2 | 149.6 | 126.6 | -81 | 0 | 0 | 0 | 0 | 122.1 | | |
| 558 | S | 39.8 | Very low | 38 | Very low | 76 Ų | 76 | 141.6 Ų | 141.6 | 53% | 0.531 | 73% | 0.731 | S | S | . | * | | | cis | -170.9 | 147.8 | -14.4 | -109.3 | 0 | 0 | 0 | 0 | 111 | | |
| 559 | H | 44.1 | Very low | 37.9 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 75% | 0.75 | 72% | 0.722 | S | S | * | * | | | trans | 63.8 | 161.2 | 165.3 | -47.8 | -41.6 | 0 | 0 | 0 | 115 | | |
| 560 | H | 39.5 | Very low | 37.4 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | | | cis | -156.3 | 164.7 | -9.8 | -110.1 | -22.4 | 0 | 0 | 0 | 105.1 | | |
| 561 | S | 38.1 | Very low | 37.6 | Very low | 64 Ų | 64 | 135.9 Ų | 135.9 | 45% | 0.448 | 72% | 0.717 | S | S | . | * | | | cis | -165 | 143.4 | 1.9 | -125.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 562 | R | 37.2 | Very low | 37.4 | Very low | 217 Ų | 217 | 138.5 Ų | 138.5 | 82% | 0.819 | 72% | 0.718 | S | S | * | * | | | trans | 66.8 | 150.5 | 148.8 | -57.4 | 165.9 | -156.9 | -132.8 | 3 | 118.8 | | |
| 563 | I | 38.3 | Very low | 37.3 | Very low | 124 Ų | 124 | 139 Ų | 139 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | | | cis | -150.3 | 134.2 | -18.1 | -100.5 | 155.3 | 0 | 0 | 0 | 106 | | |
| 564 | P | 36.1 | Very low | 37 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 76% | 0.76 | 71% | 0.708 | S | S | * | * | | | trans | -103.5 | 152.2 | 164.5 | 36.9 | -30 | 0 | 0 | 0 | 111.7 | | |
| 565 | H | 37.5 | Very low | 37 | Very low | 180 Ų | 180 | 138.5 Ų | 138.5 | 83% | 0.833 | 71% | 0.709 | S | S | * | * | | | trans | -142 | 127.7 | 164 | -89.4 | -67.3 | 0 | 0 | 0 | 112.2 | | |
| 566 | S | 33.4 | Very low | 36.9 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | | | trans | -111.7 | 127 | 177.2 | 43 | 0 | 0 | 0 | 0 | 110.7 | | |
| 567 | I | 37 | Very low | 36.9 | Very low | 146 Ų | 146 | 135.1 Ų | 135.1 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | | | trans | -145.1 | 108.5 | 171 | -59.3 | -177.3 | 0 | 0 | 0 | 104.2 | | |
| 568 | Q | 36 | Very low | 36.7 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | | | | 90.2 | 149.2 | 58 | -176.9 | 176.2 | -11.8 | 0 | 0 | 112.4 | | |
| 569 | S | 39.1 | Very low | 36.5 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | | | trans | 73.5 | 105.3 | 173.8 | 22.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 570 | N | 27.7 | Very low | 36 | Very low | 149 Ų | 149 | 138 Ų | 138 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | | | trans | -63.1 | 146.9 | 141.2 | -168.6 | 19.9 | 0 | 0 | 0 | 108.6 | | |
| 571 | P | 40 | Very low | 35.9 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | | | | -153.9 | 157.8 | 88.4 | 41.6 | -23.1 | 0 | 0 | 0 | 117.9 | | |
| 572 | Q | 34.7 | Very low | 35.8 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | | | trans | 37.3 | 118 | 134.3 | -61 | -80.7 | -5.6 | 0 | 0 | 120.6 | | |
| 573 | H | 37.6 | Very low | 35.7 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 68% | 0.681 | 75% | 0.749 | S | S | * | * | | | | -170.5 | 120.2 | 116.3 | -121 | -109 | 0 | 0 | 0 | 114.6 | | |
| 574 | F | 34.6 | Very low | 35.6 | Very low | 137 Ų | 137 | 144 Ų | 144 | 60% | 0.601 | 76% | 0.759 | S | S | * | * | | | trans | 57.1 | 143.9 | 134 | -70.2 | -149.1 | 0 | 0 | 0 | 119.9 | | |
| 575 | H | 37.9 | Very low | 35.5 | Very low | 154 Ų | 154 | 148 Ų | 148 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | cis | -153.8 | 172.2 | 3.3 | -124.6 | -1.8 | 0 | 0 | 0 | 112.9 | | |
| 576 | S | 32.6 | Very low | 35.7 | Very low | 91 Ų | 91 | 147.5 Ų | 147.5 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | | | trans | -55.2 | 159.6 | -175 | -44.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 577 | I | 36.2 | Very low | 36.1 | Very low | 159 Ų | 159 | 151.6 Ų | 151.6 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | | | | -167.7 | 118 | 78.2 | -82.1 | 154.3 | 0 | 0 | 0 | 107.1 | | |
| 578 | N | 33.2 | Very low | 35.9 | Very low | 137 Ų | 137 | 152.4 Ų | 152.4 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | | | | 50.2 | 127 | 83.8 | -76.4 | 3.9 | 0 | 0 | 0 | 114.1 | | |
| 579 | Q | 36.6 | Very low | 35.8 | Very low | 169 Ų | 169 | 155.6 Ų | 155.6 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | cis | -138 | 148.5 | 19.5 | -81.3 | 139.5 | -2.7 | 0 | 0 | 107.7 | | |
| 580 | S | 32.8 | Very low | 35.7 | Very low | 95 Ų | 95 | 156.9 Ų | 156.9 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | | | | 68.7 | 135.6 | 56 | 75.2 | 0 | 0 | 0 | 0 | 115 | | |
| 581 | E | 37 | Very low | 35.9 | Very low | 185 Ų | 185 | 158.5 Ų | 158.5 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | 72.7 | 131.7 | -167.8 | -59 | 159.7 | -155.9 | 0 | 0 | 112.6 | | |
| 582 | D | 36.2 | Very low | 35.7 | Very low | 148 Ų | 148 | 162.2 Ų | 162.2 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | cis | -125.2 | 147.2 | 2.3 | -84.6 | -46.7 | 0 | 0 | 0 | 112 | | |
| 583 | L | 36.3 | Very low | 35.6 | Very low | 181 Ų | 181 | 164 Ų | 164 | 95% | 0.948 | 81% | 0.805 | S | S | * | * | | | trans | -145.6 | 32.1 | 173.7 | -121.2 | 178.4 | 0 | 0 | 0 | 114.8 | | |
| 584 | E | 35.2 | Very low | 35.5 | Very low | 183 Ų | 183 | 163.6 Ų | 163.6 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | | | trans | -138.8 | 40.8 | -177 | -148.5 | 169.9 | -123.9 | 0 | 0 | 115.5 | | |
| 585 | F | 34.4 | Very low | 35.5 | Very low | 200 Ų | 200 | 163.8 Ų | 163.8 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | | | trans | -125.6 | 168.3 | 168.2 | -97.9 | -97.3 | 0 | 0 | 0 | 112.5 | | |
| 586 | I | 42.2 | Very low | 35.3 | Very low | 171 Ų | 171 | 166.2 Ų | 166.2 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | S | Bend | trans | 69.7 | 42.8 | -175.7 | -32.8 | 178.8 | 0 | 0 | 0 | 114.6 | | |
| 587 | K | 40.8 | Very low | 35.5 | Very low | 200 Ų | 200 | 170.5 Ų | 170.5 | 87% | 0.87 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -125.7 | -11.7 | 156.1 | -123.9 | 175.6 | -175.2 | 176.3 | 0 | 116 | | |
| 588 | N | 33.5 | Very low | 35.7 | Very low | 164 Ų | 164 | 171.5 Ų | 171.5 | 88% | 0.877 | 83% | 0.833 | S | S | * | * | | | trans | -117.9 | 98.8 | 178.4 | -71.3 | -24.6 | 0 | 0 | 0 | 111.8 | | |
| 589 | R | 34.2 | Very low | 35.7 | Very low | 241 Ų | 241 | 172.2 Ų | 172.2 | 91% | 0.909 | 84% | 0.837 | S | S | * | * | | | trans | -152 | 38.6 | 163.2 | -159.7 | 177.3 | -93.8 | -150.4 | -4.1 | 113.2 | | |
| 590 | T | 35.6 | Very low | 35.8 | Very low | 128 Ų | 128 | 170.6 Ų | 170.6 | 79% | 0.785 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -143.3 | 39.6 | -179.1 | 45.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 591 | H | 32.5 | Very low | 35.8 | Very low | 184 Ų | 184 | 169.9 Ų | 169.9 | 85% | 0.852 | 85% | 0.846 | S | S | * | * | | | trans | -158.3 | 157.8 | 156.1 | -112.8 | -77.9 | 0 | 0 | 0 | 111.9 | | |
| 592 | E | 35.2 | Very low | 35.5 | Very low | 181 Ų | 181 | 172.8 Ų | 172.8 | 85% | 0.846 | 85% | 0.849 | S | S | * | * | | | trans | 98.8 | 68.4 | 177 | -56.8 | -158.3 | 147.2 | 0 | 0 | 118.7 | | |
| 593 | M | 33.1 | Very low | 35.5 | Very low | 188 Ų | 188 | 172.3 Ų | 172.3 | 93% | 0.926 | 85% | 0.851 | S | S | * | * | | | trans | -137.1 | 97.5 | 140.1 | -77.2 | -164.2 | 74.3 | 0 | 0 | 109.3 | | |
| 594 | N | 35.3 | Very low | 35.3 | Very low | 140 Ų | 140 | 170.8 Ų | 170.8 | 75% | 0.749 | 84% | 0.844 | S | S | * | * | | | trans | -153.1 | 153.2 | 177.5 | -109.3 | -31.2 | 0 | 0 | 0 | 111.3 | | |
| 595 | N | 33.8 | Very low | 35.4 | Very low | 141 Ų | 141 | 169.9 Ų | 169.9 | 75% | 0.754 | 85% | 0.845 | S | S | * | * | | | trans | 72.6 | 50.3 | 163.5 | -58.4 | -42.5 | 0 | 0 | 0 | 120.4 | | |
| 596 | F | 34.1 | Very low | 35.3 | Very low | 204 Ų | 204 | 170.1 Ų | 170.1 | 90% | 0.895 | 84% | 0.842 | S | S | * | * | | | trans | -136.7 | 130.3 | 136.3 | -86.3 | -88.6 | 0 | 0 | 0 | 106.6 | | |
| 597 | Q | 38.1 | Very low | 35.1 | Very low | 182 Ų | 182 | 168.6 Ų | 168.6 | 85% | 0.85 | 84% | 0.835 | S | S | * | * | | | cis | -124.1 | 166.4 | 8.7 | -74.9 | 129.4 | -85.2 | 0 | 0 | 113.1 | | |
| 598 | K | 39.1 | Very low | 35 | Very low | 180 Ų | 180 | 168 Ų | 168 | 78% | 0.783 | 83% | 0.833 | S | S | * | * | | | trans | -118.6 | 154.9 | 167.9 | -98.2 | -179.9 | 176.3 | 173.3 | 0 | 110.5 | | |
| 599 | N | 32.8 | Very low | 35.2 | Very low | 152 Ų | 152 | 163.5 Ų | 163.5 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | | | trans | 72 | 143.2 | 179.4 | -43.3 | -32 | 0 | 0 | 0 | 112.3 | | |
| 600 | T | 39.2 | Very low | 35.2 | Very low | 135 Ų | 135 | 161.6 Ų | 161.6 | 83% | 0.828 | 82% | 0.82 | S | S | * | * | | | cis | -146.7 | 149.2 | 31.8 | 50.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 601 | G | 33.5 | Very low | 35.1 | Very low | 79 Ų | 79 | 164.3 Ų | 164.3 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | | | trans | 64.4 | 127.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 602 | R | 29.8 | Very low | 35.2 | Very low | 247 Ų | 247 | 160.5 Ų | 160.5 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | | | cis | 71.8 | 79.7 | 12.7 | -128.8 | -169.6 | -160.7 | 164.3 | 5.9 | 116.8 | | |
| 603 | T | 37.2 | Very low | 34.9 | Very low | 137 Ų | 137 | 159.4 Ų | 159.4 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | | | trans | -153.3 | 145.8 | 132.1 | 31 | 0 | 0 | 0 | 0 | 108.9 | | |
| 604 | N | 31.2 | Very low | 34.9 | Very low | 149 Ų | 149 | 158.5 Ų | 158.5 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | | | trans | -105 | 153.8 | 166 | -57.5 | -17.5 | 0 | 0 | 0 | 107.4 | | |
| 605 | D | 38.2 | Very low | 34.5 | Very low | 164 Ų | 164 | 159 Ų | 159 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | | | trans | -156.1 | 164.4 | 152.3 | -103.5 | -40.7 | 0 | 0 | 0 | 112.3 | | |
| 606 | Y | 31.5 | Very low | 34.6 | Very low | 205 Ų | 205 | 157.1 Ų | 157.1 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | -109.3 | 142.4 | -169.1 | -77.1 | -108.8 | 0 | 0 | 0 | 113.3 | | |
| 607 | D | 39 | Very low | 34.2 | Very low | 139 Ų | 139 | 154.8 Ų | 154.8 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | | | | 168.1 | 142 | 128.9 | -91.8 | -23.5 | 0 | 0 | 0 | 109.1 | | |
| 608 | K | 38.3 | Very low | 33.9 | Very low | 187 Ų | 187 | 151.2 Ų | 151.2 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | | | cis | 74.9 | 110.4 | 48.6 | -71.9 | -171.4 | 172.9 | -179.8 | 0 | 114.7 | | |
| 609 | G | 37.8 | Very low | 33.5 | Very low | 70 Ų | 70 | 148.1 Ų | 148.1 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | | | trans | 154.8 | 78 | -175.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 610 | Y | 33.5 | Very low | 33.4 | Very low | 202 Ų | 202 | 150 Ų | 150 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | | | | 68.9 | 134.5 | 60.5 | -108.9 | -79.9 | 0 | 0 | 0 | 114.7 | | |
| 611 | F | 33.1 | Very low | 33.1 | Very low | 184 Ų | 184 | 151.4 Ų | 151.4 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | | | trans | 82.3 | 148.2 | 176.9 | -60.1 | -71.6 | 0 | 0 | 0 | 118.4 | | |
| 612 | P | 35.6 | Very low | 33.1 | Very low | 104 Ų | 104 | 155.7 Ų | 155.7 | 68% | 0.675 | 80% | 0.797 | S | S | * | * | | | trans | -137.9 | -167.9 | -140.2 | 42.2 | -21.4 | 0 | 0 | 0 | 114.9 | | |
| 613 | L | 29.3 | Very low | 33.3 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | 24.2 | 115 | 148.9 | -67.7 | 168.9 | 0 | 0 | 0 | 118.2 | | |
| 614 | N | 32.2 | Very low | 33.3 | Very low | 169 Ų | 169 | 149 Ų | 149 | 90% | 0.904 | 78% | 0.779 | S | S | * | * | | | | -147.7 | 150.3 | 128.1 | -127 | -32.7 | 0 | 0 | 0 | 111.9 | | |
| 615 | N | 28.1 | Very low | 33.5 | Very low | 150 Ų | 150 | 149.8 Ų | 149.8 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | | | trans | -105.7 | 121.4 | -167 | -175.6 | 10 | 0 | 0 | 0 | 111.5 | | |
| 616 | S | 34.1 | Very low | 33.4 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | trans | -154.5 | 128.8 | 166.4 | 62.1 | 0 | 0 | 0 | 0 | 112.1 | T618 | S616-T618 PolarHBondContact O-N 3.18Š|
| 617 | N | 27.4 | Very low | 33.6 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | | | trans | -59.9 | 126.9 | 175 | -66.2 | -70.2 | 0 | 0 | 0 | 112.2 | | |
| 618 | T | 31.9 | Very low | 33.5 | Very low | 107 Ų | 107 | 147.5 Ų | 147.5 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | | | trans | -163.7 | 138.9 | 142.5 | 4.7 | 0 | 0 | 0 | 0 | 111.3 | S616 Y620 | S616-T618 PolarHBondContact O-N 3.18Å; T618-Y620 HydrophobicContact CG2-CE2 4.28Å |
| 619 | S | 28.8 | Very low | 33.4 | Very low | 114 Ų | 114 | 144 Ų | 144 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | -76.1 | 137.1 | 165.7 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 620 | Y | 30.9 | Very low | 33.5 | Very low | 191 Ų | 191 | 146 Ų | 146 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | | | trans | -133.4 | 95.2 | 170.8 | -89.8 | -72.8 | 0 | 0 | 0 | 112.8 | T618 L622 | T618-Y620 HydrophobicContact CG2-CE2 4.28Å; Y620-L622 PolarHBondContact O-N 3.45Å |
| 621 | E | 33.4 | Very low | 33.7 | Very low | 166 Ų | 166 | 145.9 Ų | 145.9 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | trans | -42.9 | 120.9 | 149.4 | -107.3 | -72.3 | 151.5 | 0 | 0 | 111.2 | C623 | E621-C623 VanDerWaalsContact C-N 3.33Å; E621-C623 PolarHBondContact O-N 3.24Å |
| 622 | L | 34.9 | Very low | 33.8 | Very low | 168 Ų | 168 | 142 Ų | 142 | 88% | 0.88 | 77% | 0.773 | S | S | * | * | | | trans | -86.1 | 73.2 | 179.3 | -90.4 | 175.6 | 0 | 0 | 0 | 112.2 | Y620 L624 | Y620-L622 PolarHBondContact O-N 3.45Å; L622-L624 PolarHBondContact O-N 3Å |
| 623 | C | 34.1 | Very low | 33.7 | Very low | 81 Ų | 81 | 144.1 Ų | 144.1 | 55% | 0.547 | 78% | 0.779 | S | S | . | * | | | trans | -56.2 | 125.3 | 174.6 | 168.4 | 0 | 0 | 0 | 0 | 113.9 | E621 | E621-C623 VanDerWaalsContact C-N 3.33Å; E621-C623 PolarHBondContact O-N 3.24Å |
| 624 | L | 35.7 | Very low | 34 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | | | trans | -107.9 | 85.9 | 161.3 | -84.7 | 174.7 | 0 | 0 | 0 | 111.9 | L622 | L622-L624 PolarHBondContact O-N 3Š|
| 625 | K | 36.3 | Very low | 34.3 | Very low | 167 Ų | 167 | 142.5 Ų | 142.5 | 73% | 0.726 | 77% | 0.771 | S | S | * | * | | | trans | 16.1 | 133.8 | 148.6 | -82.3 | 66.5 | 173.4 | 178 | 0 | 116.6 | | |
| 626 | S | 36.3 | Very low | 34.6 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | | | | -160.2 | 138.7 | 68.4 | 56.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 627 | K | 36 | Very low | 34.6 | Very low | 198 Ų | 198 | 142.2 Ų | 142.2 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | | | trans | 40.7 | 126.6 | 137.6 | -54.9 | -179.9 | 173.4 | -175.8 | 0 | 117.8 | | |
| 628 | I | 35.9 | Very low | 34.7 | Very low | 159 Ų | 159 | 142 Ų | 142 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | | | | -156.3 | 157.4 | 67.2 | -84.8 | 173.5 | 0 | 0 | 0 | 109.5 | | |
| 629 | P | 37.1 | Very low | 34.8 | Very low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | | | trans | -99.5 | 169.2 | -157.1 | 38.4 | -34.9 | 0 | 0 | 0 | 117.1 | | |
| 630 | P | 38.9 | Very low | 35.2 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | -107.2 | 165 | -175.4 | 41.2 | -35.3 | 0 | 0 | 0 | 115.4 | | |
| 631 | H | 37 | Very low | 35.7 | Very low | 198 Ų | 198 | 141.6 Ų | 141.6 | 92% | 0.917 | 76% | 0.755 | S | S | * | * | | | trans | 172.6 | 151 | 153.2 | -90.6 | -65.2 | 0 | 0 | 0 | 106.4 | | |
| 632 | S | 36.3 | Very low | 36 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | | | cis | -152.5 | 175.9 | 0.8 | 54.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 633 | N | 32.9 | Very low | 36.4 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | | | trans | -59.9 | 170.1 | 172.9 | -41.7 | -17.3 | 0 | 0 | 0 | 112.1 | | |
| 634 | E | 35.4 | Very low | 36.7 | Very low | 183 Ų | 183 | 143.9 Ų | 143.9 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | | | cis | -147.7 | 179.1 | 30.6 | -92.5 | -160.7 | 124.9 | 0 | 0 | 113.7 | | |
| 635 | P | 38.6 | Very low | 36.7 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | | | trans | -113.8 | -169.5 | -169.3 | 34.1 | -17.2 | 0 | 0 | 0 | 115.9 | | |
| 636 | V | 33.8 | Very low | 36.8 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | | | trans | 113.1 | 131.7 | 154.3 | -178.8 | 0 | 0 | 0 | 0 | 118.5 | | |
| 637 | N | 34.1 | Very low | 36.8 | Very low | 122 Ų | 122 | 141 Ų | 141 | 65% | 0.652 | 76% | 0.763 | S | S | * | * | | | trans | 80.4 | 104.4 | 157.3 | -79.7 | -10.8 | 0 | 0 | 0 | 124.1 | | |
| 638 | Q | 30.8 | Very low | 36.8 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 71% | 0.71 | 76% | 0.758 | S | S | * | * | | | | 77.9 | 153 | 115.1 | -70.2 | 179.7 | 32.2 | 0 | 0 | 122.4 | | |
| 639 | L | 33.6 | Very low | 37.1 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | | | trans | 67.3 | 137 | 172.2 | -88 | 71.5 | 0 | 0 | 0 | 116.5 | | |
| 640 | T | 38.2 | Very low | 36.9 | Very low | 102 Ų | 102 | 135 Ų | 135 | 63% | 0.626 | 75% | 0.752 | S | S | * | * | | | cis | -165.9 | 161.4 | -20.5 | 1.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 641 | H | 41.2 | Very low | 37 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | | | trans | 71.6 | 126.8 | 149 | -84 | -70.5 | 0 | 0 | 0 | 121.7 | | |
| 642 | D | 39.6 | Very low | 37 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 65% | 0.647 | 74% | 0.742 | S | S | * | * | | | trans | 85.8 | 105.7 | 134.9 | -54.4 | -14.8 | 0 | 0 | 0 | 123.1 | | |
| 643 | D | 42.1 | Very low | 36.8 | Very low | 152 Ų | 152 | 140.8 Ų | 140.8 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | | | | 107.4 | 149.9 | 118.5 | -78.6 | -19.2 | 0 | 0 | 0 | 123.9 | | |
| 644 | E | 41.1 | Very low | 36.9 | Very low | 189 Ų | 189 | 141.8 Ų | 141.8 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | | | trans | 59.5 | 87.3 | 172.4 | -59.6 | -156.5 | 135.9 | 0 | 0 | 120.1 | | |
| 645 | A | 34.6 | Very low | 37.1 | Very low | 90 Ų | 90 | 139.1 Ų | 139.1 | 74% | 0.744 | 75% | 0.751 | S | S | * | * | | | trans | -56.5 | 137 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 646 | I | 38.8 | Very low | 36.9 | Very low | 164 Ų | 164 | 144.9 Ų | 144.9 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | | | trans | -127.9 | 115.2 | 142.8 | -61.7 | -177.4 | 0 | 0 | 0 | 108.2 | | |
| 647 | T | 35.9 | Very low | 37.2 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | | | trans | -83.6 | 122 | -170.9 | -54.2 | 0 | 0 | 0 | 0 | 112.8 | P649 | T647-P649 HydrophobicContact CG2-CG 4.3Š|
| 648 | I | 37.7 | Very low | 37.5 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | trans | -122.4 | 107.8 | 166.1 | -56.6 | 178.2 | 0 | 0 | 0 | 108.5 | A650 | I648-A650 PolarHBondContact O-N 2.98Š|
| 649 | P | 42 | Very low | 37.9 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | | | trans | -76.7 | 122.3 | 179.5 | -14.1 | 29.7 | 0 | 0 | 0 | 112.2 | T647 | T647-P649 HydrophobicContact CG2-CG 4.3Š|
| 650 | A | 32.5 | Very low | 38.2 | Very low | 91 Ų | 91 | 146 Ų | 146 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | trans | -112.7 | 72.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I648 | I648-A650 PolarHBondContact O-N 2.98Š|
| 651 | H | 40.1 | Very low | 38.1 | Very low | 147 Ų | 147 | 149.2 Ų | 149.2 | 68% | 0.681 | 80% | 0.796 | S | S | * | * | | | trans | -142 | 143 | -178.8 | -64.2 | -96.1 | 0 | 0 | 0 | 110.1 | | |
| 652 | Q | 38.2 | Very low | 38.5 | Very low | 161 Ų | 161 | 147.2 Ų | 147.2 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | | | cis | -160.5 | 172.4 | -16.1 | -126 | 157.1 | -10.8 | 0 | 0 | 108.8 | | |
| 653 | Y | 31.8 | Very low | 38 | Very low | 225 Ų | 225 | 148.6 Ų | 148.6 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | | | trans | -66.3 | 138.7 | 175.8 | -70.6 | -102.2 | 0 | 0 | 0 | 111.6 | | |
| 654 | L | 35.1 | Very low | 37.8 | Very low | 171 Ų | 171 | 150.3 Ų | 150.3 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | | | trans | -112.9 | 106.2 | 169 | -85.9 | 168.8 | 0 | 0 | 0 | 110.5 | | |
| 655 | T | 39.8 | Very low | 37.7 | Very low | 127 Ų | 127 | 148.8 Ų | 148.8 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | | | trans | -89.7 | 136.5 | 168.2 | 43.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 656 | Y | 34 | Very low | 37.5 | Very low | 232 Ų | 232 | 153 Ų | 153 | 91% | 0.91 | 80% | 0.804 | S | S | * | * | | | trans | -71.8 | 136.4 | 176.9 | -93.5 | -106.5 | 0 | 0 | 0 | 112.7 | | |
| 657 | T | 39.5 | Very low | 37.3 | Very low | 137 Ų | 137 | 150.7 Ų | 150.7 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | | | trans | -135.3 | 147.9 | 157.6 | 47.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 658 | A | 41 | Very low | 36.9 | Very low | 97 Ų | 97 | 153.1 Ų | 153.1 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | | | trans | -95.3 | 162.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 659 | P | 38.7 | Very low | 36.7 | Very low | 128 Ų | 128 | 151.8 Ų | 151.8 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | | | trans | -88 | 167.6 | -156.1 | 35 | -37.4 | 0 | 0 | 0 | 115.6 | | |
| 660 | K | 39.1 | Very low | 35.9 | Very low | 206 Ų | 206 | 154.8 Ų | 154.8 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | | | trans | -115.7 | 142.1 | 162.1 | -76.5 | -177.1 | 174.5 | 179.5 | 0 | 110.4 | | |
| 661 | L | 37.5 | Very low | 36 | Very low | 169 Ų | 169 | 156.5 Ų | 156.5 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | | | trans | -83.6 | 143.8 | 169 | -71.3 | 157.6 | 0 | 0 | 0 | 110.4 | | |
| 662 | P | 48.2 | Very low | 35.5 | Very low | 113 Ų | 113 | 156.9 Ų | 156.9 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | | | trans | -88.7 | 140.2 | 164.2 | 34.1 | -30.3 | 0 | 0 | 0 | 111.6 | | |
| 663 | N | 30 | Very low | 35.3 | Very low | 150 Ų | 150 | 153.1 Ų | 153.1 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | | | trans | -118.1 | 123.8 | 163.8 | -92.8 | -8.3 | 0 | 0 | 0 | 107.8 | | |
| 664 | E | 38.5 | Very low | 35.4 | Very low | 188 Ų | 188 | 150.1 Ų | 150.1 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | | | trans | -131.7 | 113 | 164.6 | -64.2 | -175.7 | 143.1 | 0 | 0 | 106.4 | | |
| 665 | H | 38.1 | Very low | 35.4 | Very low | 156 Ų | 156 | 147.9 Ų | 147.9 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | | | | 69.4 | 86.2 | 65.2 | -78.7 | -76.6 | 0 | 0 | 0 | 115.5 | | |
| 666 | Q | 30.5 | Very low | 35.4 | Very low | 179 Ų | 179 | 149.9 Ų | 149.9 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | 42 | 119.8 | 132.6 | -66.5 | 174.4 | -40.3 | 0 | 0 | 120 | | |
| 667 | S | 35.6 | Very low | 35.5 | Very low | 116 Ų | 116 | 145 Ų | 145 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | | | trans | -142.5 | 122.9 | 151 | 58.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 668 | N | 26.7 | Very low | 35.6 | Very low | 166 Ų | 166 | 144.5 Ų | 144.5 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | | | trans | -109.5 | 117.6 | 178 | -84.5 | -15.1 | 0 | 0 | 0 | 111.2 | | |
| 669 | T | 33.1 | Very low | 35.5 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | trans | -155.9 | 120.5 | 163.1 | -26.2 | 0 | 0 | 0 | 0 | 106.2 | | |
| 670 | F | 26.3 | Very low | 35.5 | Very low | 169 Ų | 169 | 144.3 Ų | 144.3 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | | | cis | 77 | 152.3 | 44.8 | -160 | -97.1 | 0 | 0 | 0 | 114.2 | | |
| 671 | I | 34.5 | Very low | 35.5 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 65% | 0.651 | 76% | 0.76 | S | S | * | * | | | trans | 84.9 | 103.6 | -164.7 | -57.4 | 160.9 | 0 | 0 | 0 | 110 | | |
| 672 | Q | 29.5 | Very low | 35.6 | Very low | 155 Ų | 155 | 138.5 Ų | 138.5 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | | | | 62.5 | 130.4 | 76.9 | -64.1 | 172.4 | -46.8 | 0 | 0 | 112.7 | | |
| 673 | A | 33.1 | Very low | 35.2 | Very low | 81 Ų | 81 | 139.8 Ų | 139.8 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | | | cis | -159.9 | -157.9 | -9 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 674 | E | 33.8 | Very low | 35.6 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | | | cis | -163 | 176.6 | 6.3 | -159.9 | 50.6 | -79.9 | 0 | 0 | 110.2 | | |
| 675 | D | 35.7 | Very low | 35.6 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 66% | 0.658 | 73% | 0.733 | S | S | * | * | | | trans | 78.1 | 119.7 | 148.5 | -89.8 | -28.8 | 0 | 0 | 0 | 124.9 | | |
| 676 | H | 39.6 | Very low | 35.3 | Very low | 169 Ų | 169 | 136.9 Ų | 136.9 | 78% | 0.782 | 74% | 0.736 | S | S | * | * | | | trans | 94.7 | 135.4 | 139.5 | -76.7 | 39.6 | 0 | 0 | 0 | 122.4 | | |
| 677 | V | 35.9 | Very low | 35.5 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | | | trans | -136.5 | 161.4 | -174.1 | -147 | 0 | 0 | 0 | 0 | 108.9 | | |
| 678 | P | 42.3 | Very low | 35.3 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | | | | -150.8 | -176.2 | 96.5 | 34.4 | -14.8 | 0 | 0 | 0 | 113.5 | | |
| 679 | A | 39.1 | Very low | 35.6 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 65% | 0.653 | 71% | 0.712 | S | S | * | * | | | cis | -178.7 | 171.3 | -38.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 680 | N | 38.9 | Very low | 35.5 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 77% | 0.765 | 71% | 0.71 | S | S | * | * | | | trans | 85.2 | 135 | 179.5 | -53.4 | -36.8 | 0 | 0 | 0 | 116.4 | | |
| 681 | N | 39.2 | Very low | 35.8 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 64% | 0.642 | 71% | 0.706 | S | S | * | * | | | cis | -161.3 | 139.6 | -10.9 | -112.9 | -16.7 | 0 | 0 | 0 | 112.9 | | |
| 682 | I | 38.7 | Very low | 35.7 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 68% | 0.677 | 71% | 0.708 | S | S | * | * | | | | 49.8 | 123.2 | 129 | -66.2 | 173.7 | 0 | 0 | 0 | 117.3 | | |
| 683 | Q | 41.1 | Very low | 35.7 | Very low | 141 Ų | 141 | 130.7 Ų | 130.7 | 66% | 0.659 | 71% | 0.71 | S | S | * | * | | | cis | -163.6 | 164.6 | 26.1 | -151.4 | 21.1 | 49.3 | 0 | 0 | 114.7 | | |
| 684 | N | 37.3 | Very low | 35.7 | Very low | 125 Ų | 125 | 133 Ų | 133 | 67% | 0.668 | 72% | 0.715 | S | S | * | * | | | trans | 74.3 | 97.6 | 152.5 | -79.2 | -7 | 0 | 0 | 0 | 122.4 | | |
| 685 | H | 37.9 | Very low | 35.5 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | | | | 100.7 | 63.1 | 111 | -131.9 | -61.1 | 0 | 0 | 0 | 121.1 | | |
| 686 | L | 32.8 | Very low | 35 | Very low | 150 Ų | 150 | 129.3 Ų | 129.3 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | | | trans | -73.4 | 159.6 | 140.7 | -172.8 | 68.8 | 0 | 0 | 0 | 110.1 | | |
| 687 | L | 35.1 | Very low | 34.5 | Very low | 138 Ų | 138 | 127.9 Ų | 127.9 | 72% | 0.723 | 71% | 0.714 | S | S | * | * | | | trans | 163.2 | 113.8 | 153.2 | -86.4 | 158.9 | 0 | 0 | 0 | 105.6 | | |
| 688 | T | 31.1 | Very low | 34.2 | Very low | 93 Ų | 93 | 128.8 Ų | 128.8 | 57% | 0.571 | 71% | 0.713 | S | S | * | * | | | cis | 105.6 | 132.6 | 40.3 | 51.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 689 | E | 32.2 | Very low | 33.8 | Very low | 158 Ų | 158 | 128.2 Ų | 128.2 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | | | trans | 85.5 | 116.8 | 143.9 | -73 | -164.1 | 138.6 | 0 | 0 | 124.4 | | |
| 690 | Q | 31.8 | Very low | 33.6 | Very low | 152 Ų | 152 | 128.6 Ų | 128.6 | 71% | 0.71 | 71% | 0.71 | S | S | * | * | | | | 72.7 | 121.4 | 124.2 | -64.1 | -164.4 | 47.6 | 0 | 0 | 123.1 | | |
| 691 | S | 32.2 | Very low | 33.6 | Very low | 94 Ų | 94 | 130.4 Ų | 130.4 | 66% | 0.657 | 71% | 0.714 | S | S | * | * | | | trans | 97.9 | 147.4 | 132.1 | 80 | 0 | 0 | 0 | 0 | 120.7 | | |
| 692 | N | 33.2 | Very low | 33.5 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 69% | 0.69 | 72% | 0.723 | S | S | * | * | | | trans | 72.6 | 93.4 | 158.1 | -57.6 | -45.6 | 0 | 0 | 0 | 120 | | |
| 693 | N | 29.2 | Very low | 33.4 | Very low | 142 Ų | 142 | 132.3 Ų | 132.3 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | | | | 56.9 | 156.5 | 119.1 | -58.9 | -25.9 | 0 | 0 | 0 | 122.4 | | |
| 694 | V | 31.9 | Very low | 33.3 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 79% | 0.788 | 74% | 0.739 | S | S | * | * | | | trans | 85.6 | 107.4 | 158.8 | -162.3 | 0 | 0 | 0 | 0 | 117.9 | | |
| 695 | S | 29.5 | Very low | 33.3 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | | | trans | 61.9 | 127.6 | 147.3 | 77.1 | 0 | 0 | 0 | 0 | 122.4 | | |
| 696 | C | 26.4 | Very low | 33.3 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 75% | 0.75 | 75% | 0.749 | S | S | * | * | | | | 48.8 | 138.6 | 121.5 | -50.8 | 0 | 0 | 0 | 0 | 122.8 | | |
| 697 | N | 27.8 | Very low | 33.5 | Very low | 140 Ų | 140 | 130.4 Ų | 130.4 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | | | trans | 92 | 110.2 | 143 | -67.4 | -12.4 | 0 | 0 | 0 | 121.9 | | |
| 698 | L | 31.5 | Very low | 33.6 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | | | | 71.5 | 146.9 | 130 | -87.4 | 79.6 | 0 | 0 | 0 | 122 | | |
| 699 | S | 32.7 | Very low | 34.1 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | trans | 74.5 | 155.4 | 151.1 | -86.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 700 | S | 34.8 | Very low | 34.4 | Very low | 86 Ų | 86 | 129 Ų | 129 | 60% | 0.601 | 75% | 0.745 | S | S | * | * | | | cis | -149 | -175.9 | 5.5 | 38.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 701 | H | 38.4 | Very low | 34.8 | Very low | 182 Ų | 182 | 125.7 Ų | 125.7 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | | | trans | 87.9 | 131.1 | 173.9 | -50.4 | -79 | 0 | 0 | 0 | 115.2 | | |
| 702 | S | 37.9 | Very low | 35.2 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | | | cis | -126.5 | 163.9 | 5.5 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 703 | L | 35.8 | Very low | 35.3 | Very low | 173 Ų | 173 | 128.7 Ų | 128.7 | 91% | 0.906 | 75% | 0.745 | S | S | * | * | | | trans | -115.8 | 132.7 | -172.4 | -84.2 | 160.9 | 0 | 0 | 0 | 112.2 | | |
| 704 | S | 39.5 | Very low | 35.8 | Very low | 110 Ų | 110 | 126.9 Ų | 126.9 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | | | trans | -167.9 | 114.9 | 139 | 31.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 705 | Q | 38.3 | Very low | 35.8 | Very low | 185 Ų | 185 | 126 Ų | 126 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | | | trans | 34.6 | 137.9 | 137.4 | -55.7 | 170.1 | 0.1 | 0 | 0 | 120 | | |
| 706 | C | 36.9 | Very low | 36.7 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | | | cis | -170.6 | 170.2 | -7.5 | -94.2 | 0 | 0 | 0 | 0 | 105.9 | | |
| 707 | N | 37.6 | Very low | 37 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | | | cis | -150.3 | 150 | 2.1 | -113.5 | -1 | 0 | 0 | 0 | 107 | | |
| 708 | T | 38 | Very low | 37.4 | Very low | 92 Ų | 92 | 128.7 Ų | 128.7 | 56% | 0.564 | 74% | 0.741 | S | S | * | * | | | | 44.5 | 136 | 90.8 | 83.7 | 0 | 0 | 0 | 0 | 116.4 | | |
| 709 | H | 41.4 | Very low | 37.8 | Very low | 163 Ų | 163 | 129 Ų | 129 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | | | cis | -148.9 | 151.9 | 23.5 | -83.4 | -83.5 | 0 | 0 | 0 | 115.4 | | |
| 710 | S | 38.3 | Very low | 38 | Very low | 105 Ų | 105 | 126.6 Ų | 126.6 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | | | trans | 59.1 | 151.2 | 141.9 | -78.7 | 0 | 0 | 0 | 0 | 122.7 | | |
| 711 | S | 40.4 | Very low | 38.2 | Very low | 81 Ų | 81 | 131.7 Ų | 131.7 | 57% | 0.566 | 75% | 0.748 | S | S | * | * | | | cis | -173.6 | 138.2 | -17.2 | -102.3 | 0 | 0 | 0 | 0 | 111 | | |
| 712 | K | 38.7 | Very low | 38.1 | Very low | 193 Ų | 193 | 129.5 Ų | 129.5 | 84% | 0.839 | 74% | 0.737 | S | S | * | * | | | trans | 60.3 | 152.1 | 138.8 | -61.2 | 174 | -175.4 | 179.9 | 0 | 120.1 | | |
| 713 | S | 37.3 | Very low | 38 | Very low | 94 Ų | 94 | 131 Ų | 131 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | | | cis | -170.5 | 172.7 | -18 | 54.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 714 | S | 38.5 | Very low | 37.8 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | | | trans | 62.9 | 95.4 | 146.3 | 53.8 | 0 | 0 | 0 | 0 | 121.2 | | |
| 715 | S | 32.5 | Very low | 37.5 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 78% | 0.783 | 72% | 0.724 | S | S | * | * | | | trans | -40.5 | -179.8 | 131 | -124.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 716 | P | 48 | Very low | 37.2 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | | | cis | -139.9 | -162.8 | -8 | 22.5 | 5.5 | 0 | 0 | 0 | 114.5 | | |
| 717 | Y | 33.7 | Very low | 36.9 | Very low | 213 Ų | 213 | 130.1 Ų | 130.1 | 84% | 0.835 | 71% | 0.712 | S | S | * | * | | | trans | 98.8 | 118.4 | 150.2 | -97.7 | -91.8 | 0 | 0 | 0 | 123.6 | | |
| 718 | S | 36.3 | Very low | 36.7 | Very low | 84 Ų | 84 | 130.5 Ų | 130.5 | 59% | 0.587 | 71% | 0.714 | S | S | * | * | | | trans | 76.8 | 144 | 138.1 | -103.4 | 0 | 0 | 0 | 0 | 125.1 | | |
| 719 | D | 38.5 | Very low | 36.5 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 83% | 0.834 | 72% | 0.721 | S | S | * | * | | | trans | 53.5 | 129.2 | 149.5 | -52.5 | 3.4 | 0 | 0 | 0 | 118.9 | | |
| 720 | G | 37 | Very low | 36.2 | Very low | 63 Ų | 63 | 132.8 Ų | 132.8 | 65% | 0.649 | 72% | 0.721 | S | S | * | * | | | cis | 138.4 | 154.9 | 8.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 721 | K | 38.4 | Very low | 36 | Very low | 194 Ų | 194 | 133.2 Ų | 133.2 | 84% | 0.843 | 72% | 0.716 | S | S | * | * | | | trans | 71.6 | 152.3 | -179.2 | -56.1 | 171.7 | -179.8 | 175.4 | 0 | 114.5 | | |
| 722 | Q | 38 | Very low | 35.8 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 63% | 0.631 | 73% | 0.725 | S | S | * | * | | | cis | -159.1 | 157.6 | -9.7 | -118.3 | 165 | -42.9 | 0 | 0 | 110.7 | | |
| 723 | Q | 35.7 | Very low | 35.5 | Very low | 150 Ų | 150 | 135.1 Ų | 135.1 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | | | trans | 44.4 | 114.7 | 144.7 | -69.7 | 154.2 | -35.2 | 0 | 0 | 119.7 | | |
| 724 | S | 30.1 | Very low | 35.4 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 66% | 0.657 | 72% | 0.72 | S | S | * | * | | | | 77.3 | 115.5 | 58.4 | 76.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 725 | Y | 33.9 | Very low | 35.3 | Very low | 220 Ų | 220 | 140.4 Ų | 140.4 | 86% | 0.863 | 73% | 0.726 | S | S | * | * | | | trans | -171.5 | 131.2 | 148.2 | -87.3 | -61.3 | 0 | 0 | 0 | 106.2 | | |
| 726 | S | 32.3 | Very low | 35.1 | Very low | 89 Ų | 89 | 139.8 Ų | 139.8 | 62% | 0.622 | 72% | 0.722 | S | S | * | * | | | | 57.2 | 138.4 | 80.7 | -68.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 727 | E | 30.5 | Very low | 34.4 | Very low | 157 Ų | 157 | 147.2 Ų | 147.2 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | | | cis | -174.9 | -175.6 | -10.4 | -120.8 | 164.1 | 130.3 | 0 | 0 | 107.2 | | |
| 728 | N | 34.1 | Very low | 34.4 | Very low | 137 Ų | 137 | 142.1 Ų | 142.1 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | | | trans | 77 | 123.9 | 173.7 | -45.9 | -69.1 | 0 | 0 | 0 | 114.7 | | |
| 729 | I | 31.9 | Very low | 34.3 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | | | | 76 | 100 | 53.7 | -58.1 | 161.3 | 0 | 0 | 0 | 112.7 | | |
| 730 | H | 35.6 | Very low | 34.1 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | | | | 178.6 | 155.9 | 118.7 | -112.9 | -73.1 | 0 | 0 | 0 | 114.2 | | |
| 731 | N | 35.2 | Very low | 34 | Very low | 115 Ų | 115 | 145.3 Ų | 145.3 | 62% | 0.615 | 74% | 0.744 | S | S | * | * | | | trans | 73.3 | 132.3 | 157.2 | -62.1 | 6.9 | 0 | 0 | 0 | 117.5 | | |
| 732 | E | 34.6 | Very low | 33.9 | Very low | 165 Ų | 165 | 141.8 Ų | 141.8 | 77% | 0.771 | 74% | 0.741 | S | S | * | * | | | | 66.8 | 130.7 | 58.1 | -62.9 | 174.8 | 171.6 | 0 | 0 | 112 | | |
| 733 | E | 32.8 | Very low | 33.6 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | | | cis | -160.4 | -178.1 | -1.3 | -128.7 | -173.1 | 157.4 | 0 | 0 | 109.9 | | |
| 734 | H | 36.8 | Very low | 33.6 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | | | trans | 51.7 | 119 | 163.9 | -61.6 | -61.1 | 0 | 0 | 0 | 120.6 | | |
| 735 | N | 34.9 | Very low | 33.7 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | | | | -177.1 | 151.6 | 93.9 | -96.7 | -66.5 | 0 | 0 | 0 | 113 | | |
| 736 | S | 28.6 | Very low | 33.8 | Very low | 98 Ų | 98 | 143.8 Ų | 143.8 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | | | trans | -92.1 | 159.5 | 171 | 58.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 737 | W | 34.4 | Very low | 33.6 | Very low | 261 Ų | 261 | 151 Ų | 151 | 99% | 0.989 | 77% | 0.773 | S | S | * | * | | | trans | -150.2 | 165.5 | 144.6 | -96.3 | 1.9 | 0 | 0 | 0 | 110.5 | | |
| 738 | S | 32.2 | Very low | 33.8 | Very low | 106 Ų | 106 | 149.2 Ų | 149.2 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | -150.1 | 164.6 | -154.7 | 55.7 | 0 | 0 | 0 | 0 | 114 | | |
| 739 | S | 35.1 | Very low | 33.4 | Very low | 113 Ų | 113 | 150 Ų | 150 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | trans | 73.6 | 159.1 | 172.9 | 87.8 | 0 | 0 | 0 | 0 | 115 | | |
| 740 | S | 34.6 | Very low | 33.6 | Very low | 108 Ų | 108 | 150.6 Ų | 150.6 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | cis | -142.1 | 158.7 | 13.6 | -77.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 741 | L | 34.7 | Very low | 33.6 | Very low | 150 Ų | 150 | 149 Ų | 149 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -84.6 | 172.8 | 164.2 | -107 | 76.8 | 0 | 0 | 0 | 111.5 | | |
| 742 | P | 36.2 | Very low | 33.6 | Very low | 119 Ų | 119 | 150.9 Ų | 150.9 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | | -137.1 | 158.9 | 119.1 | 37.9 | -28.3 | 0 | 0 | 0 | 115.1 | | |
| 743 | T | 30.4 | Very low | 33.4 | Very low | 117 Ų | 117 | 149 Ų | 149 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | | | trans | -148.3 | 139.1 | 168.9 | -59.9 | 0 | 0 | 0 | 0 | 108 | | |
| 744 | I | 36.9 | Very low | 33.3 | Very low | 166 Ų | 166 | 152.1 Ų | 152.1 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | -134.3 | 143 | -179.8 | -63.2 | -178.2 | 0 | 0 | 0 | 109.7 | | |
| 745 | Q | 31.2 | Very low | 33.2 | Very low | 172 Ų | 172 | 149.1 Ų | 149.1 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -120.3 | 149.9 | -175.7 | -54.3 | 166 | -57.2 | 0 | 0 | 111.4 | | |
| 746 | Q | 35.8 | Very low | 33 | Very low | 186 Ų | 186 | 148.4 Ų | 148.4 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | | | trans | -174.3 | 123.9 | 145.1 | -99.5 | 150.6 | 43.1 | 0 | 0 | 107.8 | | |
| 747 | R | 29.4 | Very low | 33.2 | Very low | 242 Ų | 242 | 150.5 Ų | 150.5 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | | | | 78.7 | 101.2 | 57.2 | -95.3 | -166.9 | 167.8 | -127.6 | 0.9 | 115.7 | | |
| 748 | S | 34.4 | Very low | 33.3 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | | | | -176.3 | 163.9 | 126.5 | 49 | 0 | 0 | 0 | 0 | 112.3 | | |
| 749 | N | 26.7 | Very low | 33.5 | Very low | 153 Ų | 153 | 148.3 Ų | 148.3 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -105.4 | -167.9 | -179.3 | -62.8 | -3.6 | 0 | 0 | 0 | 111.4 | | |
| 750 | I | 36.1 | Very low | 33.4 | Very low | 152 Ų | 152 | 150.4 Ų | 150.4 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | | | trans | 110.3 | 129.6 | 166.4 | -63.9 | 162.5 | 0 | 0 | 0 | 113.4 | | |
| 751 | D | 34.5 | Very low | 33.4 | Very low | 131 Ų | 131 | 150.7 Ų | 150.7 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | cis | -159.8 | 159.4 | -17.7 | -102 | -18.2 | 0 | 0 | 0 | 112.4 | | |
| 752 | E | 35.7 | Very low | 33.2 | Very low | 154 Ų | 154 | 148.6 Ų | 148.6 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | | | trans | 35.8 | 127.7 | 148.7 | -61 | -147.9 | 160.5 | 0 | 0 | 126.4 | | |
| 753 | N | 29.3 | Very low | 33 | Very low | 124 Ų | 124 | 149.6 Ų | 149.6 | 66% | 0.663 | 76% | 0.762 | S | S | * | * | | | | 52.3 | 135 | 127.7 | -60.5 | -47.2 | 0 | 0 | 0 | 123.2 | | |
| 754 | Y | 31.8 | Very low | 32.8 | Very low | 216 Ų | 216 | 149 Ų | 149 | 85% | 0.847 | 76% | 0.763 | S | S | * | * | | | | -169.4 | 116.5 | 102.3 | -119.1 | -97.3 | 0 | 0 | 0 | 115.6 | | |
| 755 | S | 33.9 | Very low | 32.5 | Very low | 85 Ų | 85 | 145.7 Ų | 145.7 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | | | trans | 43.2 | 109.1 | 142.5 | -57.9 | 0 | 0 | 0 | 0 | 124.4 | | |
| 756 | N | 30.7 | Very low | 32.5 | Very low | 146 Ų | 146 | 146.8 Ų | 146.8 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | | | | 37.4 | 132.6 | 117.3 | -60.7 | -61.6 | 0 | 0 | 0 | 122 | | |
| 757 | L | 34.1 | Very low | 32.4 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | | | | -172.5 | 128.7 | 106.4 | -120.9 | 81.3 | 0 | 0 | 0 | 114.3 | | |
| 758 | Q | 35.6 | Very low | 32.5 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 65% | 0.645 | 73% | 0.729 | S | S | * | * | | | trans | 44.6 | 138.9 | 130.3 | -66.8 | 176.9 | 23 | 0 | 0 | 121.5 | | |
| 759 | K | 35.8 | Very low | 32.3 | Very low | 183 Ų | 183 | 140.7 Ų | 140.7 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | | | cis | -161.1 | 155.7 | 23.1 | -115.1 | 148.1 | -177.8 | 151.7 | 0 | 113.4 | | |
| 760 | K | 32.7 | Very low | 32.8 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 68% | 0.683 | 73% | 0.725 | S | S | * | * | | | trans | -86.3 | -173.7 | 164.3 | -110.9 | 167.7 | 174.8 | -83.6 | 0 | 110.5 | D762 | K760-D762 WeakPolarHBondContact CD-OD2 3.26Å; K760-D762 IonicContact NZ-OD1 2.63Å; K760-D762 PolarHBondContact NZ-OD1 2.95Å; K760-D762 IonicContact NZ-OD2 2.67Å; K760-D762 PolarHBondContact NZ-OD2 3.2Å |
| 761 | P | 36.6 | Very low | 32.5 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 74% | 0.74 | 73% | 0.725 | S | S | * | * | | | cis | -119.9 | 163.9 | 12.4 | 13.5 | 13.7 | 0 | 0 | 0 | 114.2 | | |
| 762 | D | 30.1 | Very low | 32.3 | Very low | 107 Ų | 107 | 142.5 Ų | 142.5 | 57% | 0.572 | 74% | 0.737 | S | S | * | * | | | | 74.3 | 114.8 | 58.1 | -51.2 | -40.2 | 0 | 0 | 0 | 116.7 | K760 | K760-D762 WeakPolarHBondContact CD-OD2 3.26Å; K760-D762 IonicContact NZ-OD1 2.63Å; K760-D762 PolarHBondContact NZ-OD1 2.95Å; K760-D762 IonicContact NZ-OD2 2.67Å; K760-D762 PolarHBondContact NZ-OD2 3.2Å |
| 763 | C | 30.9 | Very low | 32.2 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 94% | 0.939 | 74% | 0.736 | S | S | * | * | | | trans | -167.3 | 137.5 | 141.3 | -109.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 764 | S | 27.3 | Very low | 32.2 | Very low | 106 Ų | 106 | 141 Ų | 141 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | | | trans | -91.5 | -176.2 | 166.6 | 58.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 765 | T | 29.6 | Very low | 32.2 | Very low | 96 Ų | 96 | 136.5 Ų | 136.5 | 59% | 0.589 | 74% | 0.74 | S | S | * | * | | | cis | -162.4 | 169.2 | 23.1 | -36.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 766 | Y | 31.5 | Very low | 32 | Very low | 194 Ų | 194 | 140 Ų | 140 | 76% | 0.761 | 75% | 0.752 | S | S | * | * | | | trans | 126.1 | 133.6 | 139.3 | -69.4 | -62.9 | 0 | 0 | 0 | 120.4 | | |
| 767 | H | 32.9 | Very low | 32 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | trans | 63 | 85.7 | 146.2 | -70.8 | -57.8 | 0 | 0 | 0 | 123.8 | | |
| 768 | T | 33.2 | Very low | 31.9 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | | | | 40.7 | 126.2 | 109.4 | 58.9 | 0 | 0 | 0 | 0 | 122.3 | | |
| 769 | N | 29.1 | Very low | 31.6 | Very low | 157 Ų | 157 | 141 Ų | 141 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | | | trans | 100.4 | 147 | 139 | -78 | 12.3 | 0 | 0 | 0 | 121.2 | | |
| 770 | P | 36.4 | Very low | 31.5 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | | | trans | -124.1 | 164 | -162.5 | 41.8 | -26.2 | 0 | 0 | 0 | 115.4 | | |
| 771 | S | 31.8 | Very low | 31.4 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | | | trans | -158.3 | 118.7 | 155.3 | 58.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 772 | W | 28.7 | Very low | 31.2 | Very low | 252 Ų | 252 | 139.9 Ų | 139.9 | 96% | 0.955 | 78% | 0.777 | S | S | * | * | | | trans | -96.9 | 118.6 | 172 | -89.1 | 69.1 | 0 | 0 | 0 | 110.3 | | |
| 773 | T | 33.4 | Very low | 31.5 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | | | trans | -140.3 | 123.5 | 163.2 | 52.8 | 0 | 0 | 0 | 0 | 109 | | |
| 774 | P | 30.8 | Very low | 31.4 | Very low | 133 Ų | 133 | 142.4 Ų | 142.4 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | trans | -77 | 133.7 | -175.2 | 30.5 | -34.2 | 0 | 0 | 0 | 111.7 | | |
| 775 | V | 31.9 | Very low | 31.7 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | | | trans | -117.6 | 118.9 | 174.5 | 176.7 | 0 | 0 | 0 | 0 | 109.5 | N777 | V775-N777 PolarHBondContact O-N 2.83Š|
| 776 | N | 28.2 | Very low | 31.9 | Very low | 158 Ų | 158 | 149.2 Ų | 149.2 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | | | trans | -58 | 131.3 | 168.8 | -88.3 | -12.1 | 0 | 0 | 0 | 110.7 | | |
| 777 | N | 32.1 | Very low | 32.1 | Very low | 159 Ų | 159 | 147.1 Ų | 147.1 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | | | trans | -145.3 | 143.5 | 154.1 | -97.6 | -36.5 | 0 | 0 | 0 | 110.2 | V775 | V775-N777 PolarHBondContact O-N 2.83Š|
| 778 | Q | 31 | Very low | 32 | Very low | 189 Ų | 189 | 145.9 Ų | 145.9 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | trans | -92.1 | 151 | -177.9 | -71.3 | 177.5 | -44.6 | 0 | 0 | 112 | | |
| 779 | S | 29.1 | Very low | 32.3 | Very low | 100 Ų | 100 | 146.2 Ų | 146.2 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | | | trans | 56.2 | 104.5 | 146.7 | -162 | 0 | 0 | 0 | 0 | 119.4 | | |
| 780 | I | 33.9 | Very low | 32.6 | Very low | 173 Ų | 173 | 145 Ų | 145 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | | | trans | -128.8 | 136.4 | 136.6 | -62.2 | -176 | 0 | 0 | 0 | 107.5 | | |
| 781 | H | 31.5 | Very low | 33.1 | Very low | 184 Ų | 184 | 145.4 Ų | 145.4 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | | | trans | -64.7 | 148.1 | -176 | -79 | -98.1 | 0 | 0 | 0 | 114 | | |
| 782 | G | 32.7 | Very low | 33.8 | Very low | 72 Ų | 72 | 145.5 Ų | 145.5 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | trans | -165.2 | 55 | 179.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 783 | K | 35.7 | Very low | 34.6 | Very low | 200 Ų | 200 | 139.7 Ų | 139.7 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | | | trans | 59 | 102.9 | 162.4 | -62.5 | 179.7 | 178 | -179.8 | 0 | 118.9 | | |
| 784 | S | 29.2 | Very low | 35.7 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | | 18 | 118.3 | 129.8 | 58.9 | 0 | 0 | 0 | 0 | 120 | | |
| 785 | D | 34 | Very low | 36.7 | Very low | 163 Ų | 163 | 138 Ų | 138 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | | | trans | -146 | 110.4 | 130.5 | -90.5 | -39.7 | 0 | 0 | 0 | 107.1 | | |
| 786 | E | 32.2 | Very low | 38.1 | Very low | 182 Ų | 182 | 136.5 Ų | 136.5 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | | | trans | -93.3 | 118.2 | -179.3 | -71.9 | 179.9 | 141.5 | 0 | 0 | 110.4 | | |
| 787 | I | 37.1 | Very low | 39.4 | Very low | 150 Ų | 150 | 138.2 Ų | 138.2 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | | | trans | -101.5 | 90 | 171.7 | -55.2 | 178.9 | 0 | 0 | 0 | 108.3 | V789 | I787-V789 HydrophobicContact CG2-CG2 3.98Å; I787-V789 PolarHBondContact O-N 3.2Å |
| 788 | N | 30.8 | Very low | 40.8 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 67% | 0.668 | 72% | 0.724 | S | S | * | * | | | trans | -69.9 | 124 | 166.4 | -81.3 | -1.4 | 0 | 0 | 0 | 109.6 | D790 | N788-D790 PolarHBondContact ND2-OD2 2.98Š|
| 789 | V | 38.5 | Very low | 41.9 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 70% | 0.703 | 71% | 0.706 | S | S | * | * | | | trans | -108.8 | 58.6 | 170.9 | -170.9 | 0 | 0 | 0 | 0 | 108.6 | I787 V791 | I787-V789 HydrophobicContact CG2-CG2 3.98Å; I787-V789 PolarHBondContact O-N 3.2Å; V789-V791 VanDerWaalsContact C-N 3.3Å; V789-V791 HydrophobicContact CG1-CG2 4Å; V789-V791 PolarHBondContact O-N 3.47Å |
| 790 | D | 36.5 | Very low | 43.2 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | | | trans | -73.8 | 82 | 173.6 | -72.7 | -55.2 | 0 | 0 | 0 | 110 | N788 P792 | N788-D790 PolarHBondContact ND2-OD2 2.98Å; D790-P792 WeakPolarHBondContact O-CD 3.45Å |
| 791 | V | 46.5 | Very low | 44.4 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | | | trans | -92.3 | 107.6 | 170.9 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | V789 L793 | V789-V791 VanDerWaalsContact C-N 3.3Å; V789-V791 HydrophobicContact CG1-CG2 4Å; V789-V791 PolarHBondContact O-N 3.47Å; V791-L793 PolarHBondContact O-N 3.13Å |
| 792 | P | 45.6 | Very low | 45.5 | Very low | 114 Ų | 114 | 122.2 Ų | 122.2 | 74% | 0.74 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 128.6 | -178.1 | 27.7 | -33.8 | 0 | 0 | 0 | 111.5 | D790 | D790-P792 WeakPolarHBondContact O-CD 3.45Š|
| 793 | L | 46.9 | Very low | 46.3 | Very low | 130 Ų | 130 | 123 Ų | 123 | 68% | 0.681 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 137.1 | 175.1 | -85.1 | 161.1 | 0 | 0 | 0 | 111.6 | V791 Q795 W797 | V791-L793 PolarHBondContact O-N 3.13Å; L793-Q795 PolarHBondContact O-N 2.81Å; L793-W797 HydrophobicContact CD2-CD2 4.44Å; L793-W797 HydrophobicContact CD2-CE3 3.62Å; L793-W797 HydrophobicContact CD2-CZ3 3.85Å |
| 794 | P | 54.9 | Low | 46.7 | Very low | 65 Ų | 65 | 121.1 Ų | 121.1 | 42% | 0.422 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 135.7 | 179.3 | -26.4 | 35.5 | 0 | 0 | 0 | 113.1 | S796 W797 | P794-S796 WeakPolarHBondContact CB-OG 3.4Å; P794-S796 PolarHBondContact O-N 3.11Å; P794-W797 WeakPolarHBondContact O-CB 3.32Å; P794-W797 PolarHBondContact O-N 2.86Å |
| 795 | Q | 52.4 | Low | 46.9 | Very low | 145 Ų | 145 | 125.6 Ų | 125.6 | 68% | 0.678 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -14.7 | 176.3 | -73.3 | -172.5 | -29.7 | 0 | 0 | 114.3 | L793 W797 K803 | L793-Q795 PolarHBondContact O-N 2.81Å; Q795-W797 VanDerWaalsContact C-N 3.27Å; Q795-W797 PolarHBondContact O-N 3.4Å; Q795-K803 VanDerWaalsContact O-CE 3.24Å; Q795-K803 WeakPolarHBondContact O-CE 3.4Å |
| 796 | S | 62.4 | Low | 46.8 | Very low | 89 Ų | 89 | 127.1 Ų | 127.1 | 62% | 0.622 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -25.4 | 171.1 | 48.2 | 0 | 0 | 0 | 0 | 113.2 | P794 | P794-S796 WeakPolarHBondContact CB-OG 3.4Å; P794-S796 PolarHBondContact O-N 3.11Å |
| 797 | W | 53.6 | Low | 47 | Very low | 195 Ų | 195 | 123.9 Ų | 123.9 | 74% | 0.739 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -87.3 | -10.5 | -178.7 | -66.5 | 23 | 0 | 0 | 0 | 113.1 | L793 P794 Q795 | L793-W797 HydrophobicContact CD2-CD2 4.44Å; L793-W797 HydrophobicContact CD2-CE3 3.62Å; L793-W797 HydrophobicContact CD2-CZ3 3.85Å; P794-W797 WeakPolarHBondContact O-CB 3.32Å; P794-W797 PolarHBondContact O-N 2.86Å; Q795-W797 VanDerWaalsContact C-N 3.27Å; Q795-W797 PolarHBondContact O-N 3.4Å |
| 798 | L | 63.1 | Low | 46.9 | Very low | 75 Ų | 75 | 125.7 Ų | 125.7 | 39% | 0.393 | 67% | 0.671 | S | S | . | * | S | Bend | trans | -77.4 | 134 | 173.2 | -71.7 | 171.2 | 0 | 0 | 0 | 110.8 | K803 | L798-K803 HydrophobicContact CB-CG 4.25Å; L798-K803 WeakPolarHBondContact O-CE 3.37Å; L798-K803 PolarHBondContact O-NZ 3.29Å |
| 799 | P | 52.6 | Low | 46.9 | Very low | 77 Ų | 77 | 127.3 Ų | 127.3 | 50% | 0.5 | 68% | 0.678 | S | S | . | * | | | trans | -55.8 | 146.5 | 166.8 | -25.2 | 35.1 | 0 | 0 | 0 | 111.5 | S801 M802 | P799-S801 PolarHBondContact O-N 3.13Å; P799-M802 PolarHBondContact O-N 3.38Å |
| 800 | S | 56.5 | Low | 46.6 | Very low | 105 Ų | 105 | 126.6 Ų | 126.6 | 73% | 0.734 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -19.4 | -174.1 | -58.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 801 | S | 60.7 | Low | 46.2 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -24.4 | 173.7 | 49.1 | 0 | 0 | 0 | 0 | 114.5 | P799 | P799-S801 PolarHBondContact O-N 3.13Š|
| 802 | M | 53.9 | Low | 45.5 | Very low | 110 Ų | 110 | 128.1 Ų | 128.1 | 54% | 0.542 | 69% | 0.688 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.3 | -6.6 | -172.6 | -61.4 | -165.1 | 77.4 | 0 | 0 | 114.4 | P799 N804 Y805 | P799-M802 PolarHBondContact O-N 3.38Å; M802-N804 PolarHBondContact O-N 3.09Å; M802-Y805 PolarHBondContact O-N 2.95Å |
| 803 | K | 50.3 | Low | 45.1 | Very low | 90 Ų | 90 | 129 Ų | 129 | 39% | 0.391 | 69% | 0.685 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67 | -7.9 | -173.6 | -64.7 | -174.8 | -178.3 | -178.4 | 0 | 115.3 | Q795 L798 | Q795-K803 VanDerWaalsContact O-CE 3.24Å; Q795-K803 WeakPolarHBondContact O-CE 3.4Å; L798-K803 HydrophobicContact CB-CG 4.25Å; L798-K803 WeakPolarHBondContact O-CE 3.37Å; L798-K803 PolarHBondContact O-NZ 3.29Å |
| 804 | N | 43.8 | Very low | 44.7 | Very low | 159 Ų | 159 | 125.5 Ų | 125.5 | 85% | 0.85 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | 6.9 | -179.1 | -68.8 | -19.5 | 0 | 0 | 0 | 114.2 | M802 | M802-N804 PolarHBondContact O-N 3.09Š|
| 805 | Y | 32.9 | Very low | 44.2 | Very low | 195 Ų | 195 | 128.6 Ų | 128.6 | 77% | 0.765 | 69% | 0.69 | S | S | * | * | | | trans | -99.9 | 119 | 176.3 | -102 | -93.3 | 0 | 0 | 0 | 111.5 | M802 | M802-Y805 PolarHBondContact O-N 2.95Š|
| 806 | Q | 31.9 | Very low | 43.8 | Very low | 194 Ų | 194 | 128.6 Ų | 128.6 | 91% | 0.907 | 69% | 0.69 | S | S | * | * | | | trans | -104.6 | 114.5 | 161.3 | -70.4 | -136.4 | -56.1 | 0 | 0 | 109.1 | | |
| 807 | P | 36.7 | Very low | 42.9 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 74% | 0.74 | 68% | 0.68 | S | S | * | * | | | trans | -91.5 | 134.3 | 168.1 | 19.7 | -5.1 | 0 | 0 | 0 | 110.8 | | |
| 808 | E | 34 | Very low | 42 | Very low | 189 Ų | 189 | 123.1 Ų | 123.1 | 88% | 0.883 | 67% | 0.67 | S | S | * | * | | | trans | -69.1 | 144.1 | 167.3 | -67.5 | -173.4 | 137.4 | 0 | 0 | 110.6 | S810 | E808-S810 PolarHBondContact O-N 3Š|
| 809 | I | 30.7 | Very low | 41 | Very low | 158 Ų | 158 | 126.4 Ų | 126.4 | 81% | 0.81 | 68% | 0.681 | S | S | * | * | | | trans | -72.7 | 112.9 | -167.8 | -56.2 | 171.4 | 0 | 0 | 0 | 110.9 | | |
| 810 | S | 32.1 | Very low | 40.4 | Very low | 102 Ų | 102 | 128 Ų | 128 | 71% | 0.713 | 69% | 0.685 | S | S | * | * | | | trans | -146.3 | 96 | 166.4 | 46.1 | 0 | 0 | 0 | 0 | 110.8 | E808 T812 | E808-S810 PolarHBondContact O-N 3Å; S810-T812 PolarHBondContact O-N 2.94Å |
| 811 | N | 29.3 | Very low | 39.5 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 80% | 0.797 | 69% | 0.687 | S | S | * | * | | | trans | -82.4 | 75.2 | -168.1 | -69.6 | -8.6 | 0 | 0 | 0 | 113.5 | | |
| 812 | T | 31.6 | Very low | 38.7 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 83% | 0.828 | 68% | 0.683 | S | S | * | * | | | trans | -143.7 | 79.9 | 164.8 | 55.4 | 0 | 0 | 0 | 0 | 111.8 | S810 | S810-T812 PolarHBondContact O-N 2.94Š|
| 813 | L | 37.8 | Very low | 38.2 | Very low | 132 Ų | 132 | 134.5 Ų | 134.5 | 69% | 0.691 | 69% | 0.692 | S | S | * | * | | | trans | -91.1 | 135.9 | 167.8 | -155 | 75.2 | 0 | 0 | 0 | 109.8 | E817 | L813-E817 WeakPolarHBondContact CD1-OE2 3.42Å; L813-E817 HydrophobicContact CD2-CB 4.41Å; L813-E817 HydrophobicContact CG-CB 4.31Å |
| 814 | S | 38.4 | Very low | 38 | Very low | 57 Ų | 57 | 136.1 Ų | 136.1 | 40% | 0.399 | 70% | 0.7 | S | S | . | * | | | trans | -88 | 157.7 | -169.9 | 73.3 | 0 | 0 | 0 | 0 | 113.1 | E816 E817 | S814-E816 PolarHBondContact O-N 2.93Å; S814-E817 PolarHBondContact N-OE2 3.02Å; S814-E817 VanDerWaalsContact N-OE2 3.14Å; S814-E817 PolarHBondContact O-N 3.45Å; S814-E817 PolarHBondContact OG-OE2 3.34Å |
| 815 | T | 44.4 | Very low | 38 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 80% | 0.798 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -7.1 | -176.8 | -26.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 816 | E | 42.8 | Very low | 38.5 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 68% | 0.678 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -32.1 | 179.4 | -55.3 | -155.5 | 127 | 0 | 0 | 112.5 | S814 C818 K819 | S814-E816 PolarHBondContact O-N 2.93Å; E816-C818 VanDerWaalsContact C-N 3.31Å; E816-C818 PolarHBondContact O-N 2.93Å; E816-K819 WeakPolarHBondContact O-CB 3.46Å; E816-K819 PolarHBondContact O-N 3.37Å; E816-K819 VanDerWaalsContact O-N 3.13Å |
| 817 | E | 43.7 | Very low | 39.1 | Very low | 91 Ų | 91 | 126.4 Ų | 126.4 | 43% | 0.425 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -70 | -29.1 | -178.8 | -69.3 | 165.5 | 105.9 | 0 | 0 | 112.2 | L813 S814 K819 L820 | L813-E817 WeakPolarHBondContact CD1-OE2 3.42Å; L813-E817 HydrophobicContact CD2-CB 4.41Å; L813-E817 HydrophobicContact CG-CB 4.31Å; S814-E817 PolarHBondContact N-OE2 3.02Å; S814-E817 VanDerWaalsContact N-OE2 3.14Å; S814-E817 PolarHBondContact O-N 3.45Å; S814-E817 PolarHBondContact OG-OE2 3.34Å; E817-K819 PolarHBondContact O-N 3.32Å; E817-L820 PolarHBondContact O-N 3.5Å |
| 818 | C | 35.1 | Very low | 39.4 | Very low | 78 Ų | 78 | 125.4 Ų | 125.4 | 53% | 0.527 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -63.5 | -18.1 | 172.5 | -62.3 | 0 | 0 | 0 | 0 | 114 | E816 | E816-C818 VanDerWaalsContact C-N 3.31Å; E816-C818 PolarHBondContact O-N 2.93Å |
| 819 | K | 41.2 | Very low | 39.8 | Very low | 143 Ų | 143 | 120.8 Ų | 120.8 | 62% | 0.622 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -75.2 | -36 | 179 | -71.1 | 179.5 | 177 | 170.3 | 0 | 112.9 | E816 E817 F821 I822 | E816-K819 WeakPolarHBondContact O-CB 3.46Å; E816-K819 PolarHBondContact O-N 3.37Å; E816-K819 VanDerWaalsContact O-N 3.13Å; E817-K819 PolarHBondContact O-N 3.32Å; K819-F821 PolarHBondContact O-N 2.94Å; K819-I822 PolarHBondContact O-N 2.9Å |
| 820 | L | 41.7 | Very low | 40.4 | Very low | 110 Ų | 110 | 118 Ų | 118 | 58% | 0.576 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.7 | -24.9 | -177.4 | -70.2 | 167.5 | 0 | 0 | 0 | 113.1 | E817 I822 H824 | E817-L820 PolarHBondContact O-N 3.5Å; L820-I822 VanDerWaalsContact C-N 3.34Å; L820-H824 PolarHBondContact O-ND1 2.92Å; L820-H824 VanDerWaalsContact O-ND1 3.15Å |
| 821 | F | 36.9 | Very low | 40.8 | Very low | 180 Ų | 180 | 121.4 Ų | 121.4 | 79% | 0.789 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -22 | 175.4 | -93.2 | -86.8 | 0 | 0 | 0 | 114.1 | K819 | K819-F821 PolarHBondContact O-N 2.94Š|
| 822 | I | 43.8 | Very low | 41.3 | Very low | 120 Ų | 120 | 118.1 Ų | 118.1 | 62% | 0.615 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -30 | -180 | -60.4 | 174.3 | 0 | 0 | 0 | 110.8 | K819 L820 H824 | K819-I822 PolarHBondContact O-N 2.9Å; L820-I822 VanDerWaalsContact C-N 3.34Å; I822-H824 VanDerWaalsContact C-N 3.28Å; I822-H824 PolarHBondContact O-N 3.3Å |
| 823 | E | 42.5 | Very low | 42.2 | Very low | 154 Ų | 154 | 117 Ų | 117 | 72% | 0.72 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -11 | -174 | -158.9 | 162.5 | -144.8 | 0 | 0 | 114.1 | | |
| 824 | H | 46 | Very low | 42.6 | Very low | 123 Ų | 123 | 115.7 Ų | 115.7 | 57% | 0.569 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 6 | -177.1 | -72.1 | 81.9 | 0 | 0 | 0 | 114.3 | L820 I822 D826 | L820-H824 PolarHBondContact O-ND1 2.92Å; L820-H824 VanDerWaalsContact O-ND1 3.15Å; I822-H824 VanDerWaalsContact C-N 3.28Å; I822-H824 PolarHBondContact O-N 3.3Å; H824-D826 PolarHBondContact O-N 3.31Å |
| 825 | Q | 44.1 | Very low | 42.8 | Very low | 125 Ų | 125 | 117.1 Ų | 117.1 | 58% | 0.584 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -73.7 | -23.8 | -168.4 | -148.6 | 166.5 | 32.7 | 0 | 0 | 113.9 | N829 | Q825-N829 PolarHBondContact O-ND2 3.2Å |
| 826 | D | 44 | Very low | 42.7 | Very low | 136 Ų | 136 | 115.9 Ų | 115.9 | 73% | 0.727 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.9 | -40.2 | 177.2 | -76.6 | -31.9 | 0 | 0 | 0 | 112.5 | H824 V828 N829 Q830 | H824-D826 PolarHBondContact O-N 3.31Å; D826-V828 VanDerWaalsContact C-N 3.31Å; D826-V828 PolarHBondContact O-N 2.92Å; D826-N829 PolarHBondContact O-N 3.36Å; D826-Q830 PolarHBondContact O-N 3.18Å |
| 827 | S | 44.5 | Very low | 42.6 | Very low | 83 Ų | 83 | 116.1 Ų | 116.1 | 58% | 0.58 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -60 | -38.8 | -176.7 | -55.1 | 0 | 0 | 0 | 0 | 113.2 | W831 | S827-W831 PolarHBondContact O-N 3.2Å |
| 828 | V | 41.8 | Very low | 42.4 | Very low | 93 Ų | 93 | 118.3 Ų | 118.3 | 56% | 0.564 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -74 | -42.1 | 179.8 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | D826 Q830 W831 C832 | D826-V828 VanDerWaalsContact C-N 3.31Å; D826-V828 PolarHBondContact O-N 2.92Å; V828-Q830 VanDerWaalsContact C-N 3.33Å; V828-Q830 PolarHBondContact O-N 3.14Å; V828-W831 PolarHBondContact O-N 3.03Å; V828-C832 PolarHBondContact O-N 3.32Å; V828-C832 PolarHBondContact O-SG 3.21Å |
| 829 | N | 43.8 | Very low | 42.5 | Very low | 93 Ų | 93 | 123.6 Ų | 123.6 | 50% | 0.497 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63.5 | -39.4 | 176.5 | -77.2 | -65.2 | 0 | 0 | 0 | 111.9 | Q825 D826 C832 I833 | Q825-N829 PolarHBondContact O-ND2 3.2Å; D826-N829 PolarHBondContact O-N 3.36Å; N829-C832 PolarHBondContact O-N 3.47Å; N829-I833 WeakPolarHBondContact O-CG1 3.41Å; N829-I833 PolarHBondContact O-N 3.49Å |
| 830 | Q | 42.4 | Very low | 42.3 | Very low | 99 Ų | 99 | 122.4 Ų | 122.4 | 46% | 0.463 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67.9 | -40.9 | 177.9 | -163.9 | 58.6 | 53.6 | 0 | 0 | 112.1 | D826 V828 C832 I833 D834 | D826-Q830 PolarHBondContact O-N 3.18Å; V828-Q830 VanDerWaalsContact C-N 3.33Å; V828-Q830 PolarHBondContact O-N 3.14Å; Q830-C832 VanDerWaalsContact C-N 3.28Å; Q830-C832 PolarHBondContact O-N 3.19Å; Q830-I833 PolarHBondContact O-N 3.08Å; Q830-D834 PolarHBondContact NE2-OD1 2.83Å; Q830-D834 PolarHBondContact O-N 2.75Å; Q830-D834 VanDerWaalsContact O-N 3.14Å |
| 831 | W | 40.2 | Very low | 41.9 | Very low | 173 Ų | 173 | 125.5 Ų | 125.5 | 66% | 0.655 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -58.5 | -38.6 | 174 | -175.9 | 74.8 | 0 | 0 | 0 | 112.6 | S827 V828 I833 D834 Q835 | S827-W831 PolarHBondContact O-N 3.2Å; V828-W831 PolarHBondContact O-N 3.03Å; W831-I833 VanDerWaalsContact C-N 3.32Å; W831-I833 PolarHBondContact O-N 2.98Å; W831-D834 PolarHBondContact O-N 3.5Å; W831-Q835 WeakPolarHBondContact O-CG 3.22Å |
| 832 | C | 40.7 | Very low | 41.9 | Very low | 81 Ų | 81 | 121.5 Ų | 121.5 | 55% | 0.547 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -70.1 | -23.8 | 175.2 | -69 | 0 | 0 | 0 | 0 | 114.1 | V828 N829 Q830 | V828-C832 PolarHBondContact O-N 3.32Å; V828-C832 PolarHBondContact O-SG 3.21Å; N829-C832 PolarHBondContact O-N 3.47Å; Q830-C832 VanDerWaalsContact C-N 3.28Å; Q830-C832 PolarHBondContact O-N 3.19Å |
| 833 | I | 51 | Low | 41.7 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 57% | 0.569 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -78.5 | -35.9 | 176.6 | -71.1 | 164.7 | 0 | 0 | 0 | 111.1 | N829 Q830 W831 Q835 | N829-I833 WeakPolarHBondContact O-CG1 3.41Å; N829-I833 PolarHBondContact O-N 3.49Å; Q830-I833 PolarHBondContact O-N 3.08Å; W831-I833 VanDerWaalsContact C-N 3.32Å; W831-I833 PolarHBondContact O-N 2.98Å; I833-Q835 VanDerWaalsContact C-N 3.31Å; I833-Q835 PolarHBondContact O-N 3.21Å |
| 834 | D | 45.7 | Very low | 41.2 | Very low | 104 Ų | 104 | 121.7 Ų | 121.7 | 56% | 0.556 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -78.3 | -12.7 | -174.3 | -62 | -19.7 | 0 | 0 | 0 | 113.2 | Q830 W831 S836 | Q830-D834 PolarHBondContact NE2-OD1 2.83Å; Q830-D834 PolarHBondContact O-N 2.75Å; Q830-D834 VanDerWaalsContact O-N 3.14Å; W831-D834 PolarHBondContact O-N 3.5Å; D834-S836 PolarHBondContact O-N 2.93Å |
| 835 | Q | 42.7 | Very low | 40.7 | Very low | 87 Ų | 87 | 121.4 Ų | 121.4 | 41% | 0.407 | 66% | 0.661 | S | S | . | * | | | trans | -80.3 | 40.3 | 178.4 | -67.8 | -58.5 | -40.8 | 0 | 0 | 114.8 | W831 I833 N837 L838 | W831-Q835 WeakPolarHBondContact O-CG 3.22Å; I833-Q835 VanDerWaalsContact C-N 3.31Å; I833-Q835 PolarHBondContact O-N 3.21Å; Q835-N837 PolarHBondContact O-N 3Å; Q835-L838 HydrophobicContact CB-CD1 4.3Å; Q835-L838 HydrophobicContact CG-CD1 4.42Å; Q835-L838 PolarHBondContact O-N 3.4Å |
| 836 | S | 42.3 | Very low | 40.2 | Very low | 104 Ų | 104 | 122.3 Ų | 122.3 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 2.4 | -173.1 | 57 | 0 | 0 | 0 | 0 | 116.8 | D834 | D834-S836 PolarHBondContact O-N 2.93Š|
| 837 | N | 41.6 | Very low | 40 | Very low | 150 Ų | 150 | 122.3 Ų | 122.3 | 80% | 0.802 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122 | 2.4 | -176.1 | -79 | -56.2 | 0 | 0 | 0 | 115.5 | Q835 K839 | Q835-N837 PolarHBondContact O-N 3Å; N837-K839 VanDerWaalsContact C-N 3.34Å; N837-K839 PolarHBondContact O-N 3.47Å |
| 838 | L | 37.8 | Very low | 39.6 | Very low | 137 Ų | 137 | 127 Ų | 127 | 72% | 0.717 | 68% | 0.679 | S | S | * | * | | | trans | -78.3 | 82.2 | 178.1 | -75.5 | 175.9 | 0 | 0 | 0 | 112 | Q835 P840 | Q835-L838 HydrophobicContact CB-CD1 4.3Å; Q835-L838 HydrophobicContact CG-CD1 4.42Å; Q835-L838 PolarHBondContact O-N 3.4Å; L838-P840 WeakPolarHBondContact O-CD 3.46Å |
| 839 | K | 37.5 | Very low | 39.7 | Very low | 189 Ų | 189 | 128.4 Ų | 128.4 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | | | trans | -62.9 | 116.6 | 172.9 | -171.9 | -179.5 | -173.9 | -179.3 | 0 | 110.1 | N837 Q841 | N837-K839 VanDerWaalsContact C-N 3.34Å; N837-K839 PolarHBondContact O-N 3.47Å; K839-Q841 PolarHBondContact O-N 3.41Å |
| 840 | P | 37.6 | Very low | 39.7 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | | | trans | -69.1 | 116.8 | -179.7 | 27.2 | -33.3 | 0 | 0 | 0 | 110.3 | L838 A842 | L838-P840 WeakPolarHBondContact O-CD 3.46Å; P840-A842 PolarHBondContact O-N 2.93Å |
| 841 | Q | 32.1 | Very low | 39.3 | Very low | 175 Ų | 175 | 134.5 Ų | 134.5 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | | | trans | -79.3 | 94 | 163.9 | -74.1 | -158.2 | -14.6 | 0 | 0 | 108.9 | K839 E843 | K839-Q841 PolarHBondContact O-N 3.41Å; Q841-E843 PolarHBondContact O-N 3.45Å |
| 842 | A | 37.8 | Very low | 39.4 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 79% | 0.793 | 73% | 0.727 | S | S | * | * | | | trans | -76.7 | 95 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | P840 S844 | P840-A842 PolarHBondContact O-N 2.93Å; A842-S844 PolarHBondContact O-N 3.39Å |
| 843 | E | 38.7 | Very low | 39.3 | Very low | 167 Ų | 167 | 140 Ų | 140 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | | | trans | -63.8 | 130.3 | 167.1 | -69.5 | -168.1 | 131 | 0 | 0 | 109.5 | Q841 T845 | Q841-E843 PolarHBondContact O-N 3.45Å; E843-T845 PolarHBondContact O-N 3.42Å |
| 844 | S | 31.9 | Very low | 39 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | | | trans | -82.6 | 78.9 | -169.3 | 57.5 | 0 | 0 | 0 | 0 | 112.1 | A842 I846 | A842-S844 PolarHBondContact O-N 3.39Å; S844-I846 PolarHBondContact O-N 3.05Å; S844-I846 VanDerWaalsContact O-N 3.08Å |
| 845 | T | 36.9 | Very low | 38.6 | Very low | 118 Ų | 118 | 150.8 Ų | 150.8 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | | | trans | -73.7 | 95.9 | 169.5 | -47.2 | 0 | 0 | 0 | 0 | 109.6 | E843 I847 | E843-T845 PolarHBondContact O-N 3.42Å; T845-I847 HydrophobicContact CG2-CG1 4.44Å; T845-I847 PolarHBondContact O-N 2.96Å |
| 846 | I | 33.3 | Very low | 38.3 | Very low | 144 Ų | 144 | 154 Ų | 154 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | | | trans | -68.1 | 119.5 | 175.5 | -61.2 | 170.6 | 0 | 0 | 0 | 108.7 | S844 E848 | S844-I846 PolarHBondContact O-N 3.05Å; S844-I846 VanDerWaalsContact O-N 3.08Å; I846-E848 HydrophobicContact CG2-CG 4.34Å |
| 847 | I | 40.1 | Very low | 38.1 | Very low | 136 Ų | 136 | 156.6 Ų | 156.6 | 70% | 0.697 | 81% | 0.807 | S | S | * | * | | | trans | -119.2 | 109.6 | 167.5 | -60.3 | 178.4 | 0 | 0 | 0 | 106.5 | T845 | T845-I847 HydrophobicContact CG2-CG1 4.44Å; T845-I847 PolarHBondContact O-N 2.96Å |
| 848 | E | 35.9 | Very low | 37.9 | Very low | 181 Ų | 181 | 156.9 Ų | 156.9 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | | | trans | -71.1 | 127 | 175.1 | -64.4 | -178.5 | 126.6 | 0 | 0 | 109.8 | I846 | I846-E848 HydrophobicContact CG2-CG 4.34Š|
| 849 | V | 44.9 | Very low | 38 | Very low | 123 Ų | 123 | 158.1 Ų | 158.1 | 75% | 0.745 | 81% | 0.813 | S | S | * | * | | | trans | -114.8 | 122.8 | 170.8 | -177.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 850 | P | 42.4 | Very low | 38 | Very low | 123 Ų | 123 | 156.2 Ų | 156.2 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | | | trans | -62.1 | 140.9 | -173.8 | -26.6 | 35.6 | 0 | 0 | 0 | 114.5 | E852 | P850-E852 PolarHBondContact O-N 3.49Š|
| 851 | H | 35.2 | Very low | 38 | Very low | 196 Ų | 196 | 158.7 Ų | 158.7 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | | | trans | -77.3 | 101.3 | 172.5 | -91.3 | -73.7 | 0 | 0 | 0 | 111.9 | | |
| 852 | E | 41.8 | Very low | 38.4 | Very low | 156 Ų | 156 | 157.5 Ų | 157.5 | 73% | 0.729 | 81% | 0.814 | S | S | * | * | | | trans | -139.5 | 165.3 | 149.8 | -71.2 | -161.1 | 151.5 | 0 | 0 | 109.6 | P850 | P850-E852 PolarHBondContact O-N 3.49Š|
| 853 | Y | 39.1 | Very low | 38.5 | Very low | 213 Ų | 213 | 162.2 Ų | 162.2 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | trans | 68.6 | 77.1 | 180 | -56.1 | -81.7 | 0 | 0 | 0 | 116.9 | | |
| 854 | T | 43.4 | Very low | 38.4 | Very low | 137 Ų | 137 | 161.8 Ų | 161.8 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | | | trans | -84.7 | 134.2 | 150.2 | 50.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 855 | Y | 36.7 | Very low | 39 | Very low | 305 Ų | 305 | 166.5 Ų | 166.5 | 100% | 1.196 | 82% | 0.823 | S | S | * | * | | | trans | -154.2 | 0 | 157.3 | -126 | -74.1 | 0 | 0 | 0 | 109.6 | | |