| 1 | M | 37.7 | Very low | 44.8 | Very low | 234 Ų | 234 | 177.5 Ų | 177.5 | 100% | 1.153 | 87% | 0.869 | S | S | * | * | | | | 0 | 92.2 | 0 | -69.1 | 178.9 | -178.8 | 0 | 0 | 106.2 | | |
| 2 | M | 37.5 | Very low | 43.9 | Very low | 176 Ų | 176 | 169.3 Ų | 169.3 | 87% | 0.867 | 86% | 0.864 | S | S | * | * | | | | 61.3 | 91.9 | 106.2 | -70.8 | -179.6 | 173 | 0 | 0 | 110.9 | | |
| 3 | E | 45.1 | Very low | 43.7 | Very low | 159 Ų | 159 | 165.2 Ų | 165.2 | 74% | 0.743 | 86% | 0.86 | S | S | * | * | | | | 73.2 | 114.9 | 91.8 | -164.7 | -175.9 | 175.1 | 0 | 0 | 111.7 | | |
| 4 | K | 49.1 | Very low | 44.7 | Very low | 214 Ų | 214 | 162 Ų | 162 | 93% | 0.93 | 86% | 0.855 | S | S | * | * | | | trans | -157.5 | 123.5 | 146.9 | -115.3 | 171.8 | -174.8 | -179.7 | 0 | 112.6 | | |
| 5 | R | 46 | Very low | 44.5 | Very low | 213 Ų | 213 | 161.3 Ų | 161.3 | 80% | 0.804 | 85% | 0.852 | S | S | * | * | | | trans | -54.4 | 150.3 | 173.7 | -101.7 | 167.5 | 169.5 | 146.8 | -3.9 | 115 | | |
| 6 | E | 46.9 | Very low | 44.5 | Very low | 168 Ų | 168 | 156.8 Ų | 156.8 | 79% | 0.785 | 84% | 0.844 | S | S | * | * | | | trans | -17.3 | 144.9 | 151.7 | -57 | 170 | 150.1 | 0 | 0 | 118.3 | | |
| 7 | Q | 42.2 | Very low | 44.3 | Very low | 186 Ų | 186 | 152.1 Ų | 152.1 | 87% | 0.869 | 84% | 0.842 | S | S | * | * | | | | -169.4 | 116.8 | 127.5 | -103.4 | 153.6 | 79.2 | 0 | 0 | 112.2 | | |
| 8 | E | 46 | Very low | 44.1 | Very low | 177 Ų | 177 | 150.7 Ų | 150.7 | 83% | 0.827 | 84% | 0.844 | S | S | * | * | | | trans | 10 | 129.6 | 136.5 | -64.5 | -91.2 | 123.2 | 0 | 0 | 118.2 | | |
| 9 | L | 45.8 | Very low | 43.9 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 89% | 0.885 | 84% | 0.836 | S | S | * | * | | | trans | 175.6 | 113.7 | 134.4 | -96.9 | 143.9 | 0 | 0 | 0 | 110.5 | | |
| 10 | C | 42.6 | Very low | 44.2 | Very low | 127 Ų | 127 | 145.3 Ų | 145.3 | 86% | 0.858 | 84% | 0.835 | S | S | * | * | | | trans | -65.1 | 149.4 | 163.3 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 11 | P | 53.7 | Low | 44 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | | | | -145 | 148.8 | 127.4 | 33.9 | -17.7 | 0 | 0 | 0 | 114.7 | | |
| 12 | G | 34.3 | Very low | 44.3 | Very low | 79 Ų | 79 | 140.3 Ų | 140.3 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | | | trans | 101.5 | 94.9 | 137.9 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 13 | S | 41.4 | Very low | 44.5 | Very low | 116 Ų | 116 | 142 Ų | 142 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | | | trans | -75.9 | 160.1 | 142.6 | -139 | 0 | 0 | 0 | 0 | 108.9 | | |
| 14 | P | 57.9 | Low | 44.5 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | | | | -139.3 | 150.1 | 62.8 | 17.7 | 8.6 | 0 | 0 | 0 | 113.5 | | |
| 15 | D | 40.5 | Very low | 44.1 | Very low | 152 Ų | 152 | 139 Ų | 139 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | | | | 79.4 | 136.5 | 77.7 | -157.5 | 26.4 | 0 | 0 | 0 | 116.4 | | |
| 16 | A | 45.8 | Very low | 43.7 | Very low | 88 Ų | 88 | 134.1 Ų | 134.1 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | 109.3 | 111.7 | 141.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 17 | G | 39.8 | Very low | 43.2 | Very low | 78 Ų | 78 | 130.4 Ų | 130.4 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | 119.3 | 124.9 | 134 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 18 | S | 41.9 | Very low | 43 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | | | cis | -174.9 | 138.8 | 13.5 | -167.3 | 0 | 0 | 0 | 0 | 104.5 | | |
| 19 | G | 39.5 | Very low | 42.7 | Very low | 66 Ų | 66 | 128.4 Ų | 128.4 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | | | cis | 124.4 | 171.7 | 46.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 20 | P | 50.8 | Low | 42.4 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | | | | -116.1 | 174.7 | -114 | 28.8 | -11 | 0 | 0 | 0 | 113.1 | | |
| 21 | G | 38.6 | Very low | 42.1 | Very low | 69 Ų | 69 | 130.8 Ų | 130.8 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | | | cis | 88.4 | 109.6 | 42.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 22 | K | 45.4 | Very low | 41.3 | Very low | 205 Ų | 205 | 132.5 Ų | 132.5 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | | | trans | -136.9 | 112.2 | 165.4 | -62.6 | -165 | 177.1 | -169.7 | 0 | 106.1 | | |
| 23 | R | 41 | Very low | 41.3 | Very low | 212 Ų | 212 | 135.4 Ų | 135.4 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | | | | 52.7 | 99 | 70 | -59 | -164.7 | -173 | -95.7 | 7 | 112.9 | | |
| 24 | E | 44.7 | Very low | 40.8 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | | 94.2 | 120.9 | 80.3 | -82.1 | 173.5 | -107.2 | 0 | 0 | 110.3 | | |
| 25 | D | 40.5 | Very low | 39.5 | Very low | 163 Ų | 163 | 138.4 Ų | 138.4 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | | | trans | -169.6 | 126.7 | 154.5 | -91.1 | -27.7 | 0 | 0 | 0 | 113.7 | | |
| 26 | S | 38.3 | Very low | 39.3 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | | | trans | 81.5 | 100.3 | 138.7 | -54.8 | 0 | 0 | 0 | 0 | 123.9 | | |
| 27 | A | 36.2 | Very low | 38.8 | Very low | 90 Ų | 90 | 145.2 Ų | 145.2 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | | | | 59.2 | 117.6 | 119.1 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 28 | I | 37.9 | Very low | 38.6 | Very low | 155 Ų | 155 | 150 Ų | 150 | 80% | 0.795 | 80% | 0.804 | S | S | * | * | | | | 44.5 | 119.6 | 122.6 | -52.4 | 171.3 | 0 | 0 | 0 | 119.1 | | |
| 29 | I | 40.5 | Very low | 38.3 | Very low | 166 Ų | 166 | 152.5 Ų | 152.5 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | | | | -164.5 | 131.6 | 127.5 | -89 | 146.4 | 0 | 0 | 0 | 110 | | |
| 30 | S | 38.1 | Very low | 38.1 | Very low | 104 Ų | 104 | 158.8 Ų | 158.8 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | trans | -80.3 | 150.1 | 169.6 | -67.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 31 | R | 37.4 | Very low | 37.6 | Very low | 243 Ų | 243 | 158.9 Ų | 158.9 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | | | trans | 170 | 103.8 | 143.9 | -93.4 | 162.2 | -168.3 | -158.7 | 5.3 | 108.4 | | |
| 32 | H | 37.6 | Very low | 37.3 | Very low | 164 Ų | 164 | 166.8 Ų | 166.8 | 76% | 0.759 | 82% | 0.82 | S | S | * | * | | | | 76.5 | 120.2 | 80.6 | -150.1 | 31.2 | 0 | 0 | 0 | 115.4 | | |
| 33 | N | 32.7 | Very low | 36.9 | Very low | 140 Ų | 140 | 165.1 Ų | 165.1 | 75% | 0.749 | 82% | 0.819 | S | S | * | * | | | trans | 78.4 | 127.9 | 153 | -69.4 | -17.3 | 0 | 0 | 0 | 122.2 | | |
| 34 | G | 31.3 | Very low | 36.8 | Very low | 76 Ų | 76 | 162.8 Ų | 162.8 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | | | trans | 158.5 | 64.5 | 154.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 35 | Y | 30.9 | Very low | 36.5 | Very low | 224 Ų | 224 | 165 Ų | 165 | 88% | 0.878 | 82% | 0.819 | S | S | * | * | | | trans | -68.3 | 135.9 | 159.8 | -80.1 | -96.8 | 0 | 0 | 0 | 110 | | |
| 36 | K | 35.7 | Very low | 35.9 | Very low | 204 Ų | 204 | 161.2 Ų | 161.2 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | | | trans | -147.7 | 113.3 | 143.6 | -84.5 | -154.6 | 173.8 | -172.7 | 0 | 110.5 | | |
| 37 | E | 36.4 | Very low | 36.1 | Very low | 179 Ų | 179 | 163.4 Ų | 163.4 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | | | trans | -65.8 | 150.6 | 161.1 | -61.1 | 168.6 | 133.1 | 0 | 0 | 110.4 | | |
| 38 | E | 35.8 | Very low | 36.2 | Very low | 178 Ų | 178 | 168.8 Ų | 168.8 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | | | trans | -164 | 142.8 | 140.4 | -63.9 | -154.7 | -174.4 | 0 | 0 | 107 | | |
| 39 | E | 34.2 | Very low | 36 | Very low | 179 Ų | 179 | 165.1 Ų | 165.1 | 84% | 0.836 | 83% | 0.826 | S | S | * | * | | | cis | -168.5 | 135.4 | -21.1 | -166.2 | -179.9 | -167.8 | 0 | 0 | 104.3 | | |
| 40 | K | 36.8 | Very low | 35.6 | Very low | 198 Ų | 198 | 165.1 Ų | 165.1 | 86% | 0.861 | 83% | 0.828 | S | S | * | * | | | trans | -112.1 | 134.3 | 170.1 | -82.3 | -175.1 | 177.6 | -177.3 | 0 | 107.5 | | |
| 41 | P | 40.1 | Very low | 35.4 | Very low | 131 Ų | 131 | 163.6 Ų | 163.6 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | | | trans | -87.7 | 121.7 | 168.5 | 31.1 | -26.9 | 0 | 0 | 0 | 110.7 | | |
| 42 | R | 32.8 | Very low | 35.2 | Very low | 235 Ų | 235 | 156.9 Ų | 156.9 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | | | trans | -86.9 | 142.5 | 157.7 | -77.7 | 177.2 | 169.3 | 171.1 | -2.6 | 108.3 | | |
| 43 | I | 36 | Very low | 35.1 | Very low | 170 Ų | 170 | 157.3 Ų | 157.3 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | | | trans | -112.1 | 124.4 | 157.6 | -65.6 | 179.3 | 0 | 0 | 0 | 106.5 | | |
| 44 | E | 38.5 | Very low | 35.2 | Very low | 162 Ų | 162 | 161.9 Ų | 161.9 | 76% | 0.757 | 82% | 0.821 | S | S | * | * | | | trans | -72.3 | 129.1 | 177.6 | -61.6 | -176.4 | 138.8 | 0 | 0 | 110.1 | | |
| 45 | R | 37.9 | Very low | 35.4 | Very low | 195 Ų | 195 | 164 Ų | 164 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | | | | 68.6 | 108.9 | 87.5 | -137 | -160.1 | -52.4 | -115.7 | 5.1 | 114.1 | E47 | R45-E47 HydrophobicContact CG-CG 4.37Š|
| 46 | G | 29.7 | Very low | 35.7 | Very low | 84 Ų | 84 | 163.2 Ų | 163.2 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | | | trans | -133.7 | 115.5 | 153.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 47 | E | 41.6 | Very low | 35.6 | Very low | 154 Ų | 154 | 161.5 Ų | 161.5 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | | | trans | -99.2 | 141.7 | 175.4 | -70.8 | 172.7 | 175.7 | 0 | 0 | 109.2 | R45 | R45-E47 HydrophobicContact CG-CG 4.37Š|
| 48 | E | 38.3 | Very low | 35.7 | Very low | 204 Ų | 204 | 161 Ų | 161 | 95% | 0.953 | 81% | 0.813 | S | S | * | * | | | trans | 162.3 | 132.4 | 151.4 | -95.6 | -176.5 | -171.4 | 0 | 0 | 105.2 | | |
| 49 | G | 33.3 | Very low | 35.8 | Very low | 77 Ų | 77 | 160.2 Ų | 160.2 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | cis | -179.6 | 155.1 | 6 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 50 | D | 32.1 | Very low | 35.9 | Very low | 166 Ų | 166 | 159.2 Ų | 159.2 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | | | trans | -70.9 | 170 | -173.5 | -176.5 | 25.2 | 0 | 0 | 0 | 114.7 | | |
| 51 | A | 34.9 | Very low | 35.9 | Very low | 72 Ų | 72 | 153.5 Ų | 153.5 | 60% | 0.595 | 79% | 0.794 | S | S | * | * | | | trans | 110.5 | 97.5 | 150.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 52 | S | 32.8 | Very low | 35.7 | Very low | 102 Ų | 102 | 153.8 Ų | 153.8 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | | | | 50.5 | 123.8 | 120.3 | 66.2 | 0 | 0 | 0 | 0 | 122 | | |
| 53 | E | 35.3 | Very low | 36 | Very low | 173 Ų | 173 | 150.6 Ų | 150.6 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | | | | 61.1 | 114.8 | 120.4 | -159.1 | -180 | -154.8 | 0 | 0 | 119.5 | | |
| 54 | R | 34.5 | Very low | 36.1 | Very low | 236 Ų | 236 | 149.7 Ų | 149.7 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | | | | -178.5 | 129 | 123.9 | -99.7 | 161.9 | -159.6 | -114.5 | 2.6 | 113.7 | | |
| 55 | V | 36 | Very low | 36 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -48.5 | 145.4 | 158.1 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 56 | K | 36.5 | Very low | 35.8 | Very low | 209 Ų | 209 | 149.7 Ų | 149.7 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | | | trans | -158.2 | 115.7 | 142 | -105 | 171.5 | -171.6 | -170.7 | 0 | 110.7 | | |
| 57 | E | 35.1 | Very low | 35.8 | Very low | 167 Ų | 167 | 149.6 Ų | 149.6 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | | | trans | -75.2 | -176.3 | 161.9 | -66.4 | 175.2 | 141.9 | 0 | 0 | 110.8 | | |
| 58 | E | 38 | Very low | 35.3 | Very low | 169 Ų | 169 | 145.8 Ų | 145.8 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | trans | 101.2 | 105.4 | 163.9 | -60.5 | -179.1 | -176.5 | 0 | 0 | 115.1 | | |
| 59 | E | 37.5 | Very low | 35 | Very low | 162 Ų | 162 | 141 Ų | 141 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | | | | 86 | 148.3 | 85.3 | -118.8 | -166.6 | 157.2 | 0 | 0 | 110.6 | | |
| 60 | E | 35.5 | Very low | 34.9 | Very low | 158 Ų | 158 | 145.6 Ų | 145.6 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | | | cis | -172.9 | 176.3 | 8.8 | -157.9 | -160.3 | 154.3 | 0 | 0 | 107.2 | | |
| 61 | A | 36.9 | Very low | 35 | Very low | 78 Ų | 78 | 146.9 Ų | 146.9 | 65% | 0.645 | 76% | 0.756 | S | S | * | * | | | trans | 83.3 | 106.9 | 151.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 62 | D | 35.6 | Very low | 34.9 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | | 62.5 | 110 | 62.5 | -165.3 | 33.4 | 0 | 0 | 0 | 114.6 | | |
| 63 | K | 40.9 | Very low | 35 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 74% | 0.735 | 76% | 0.763 | S | S | * | * | | | | 174 | 122.1 | 123.8 | -99.5 | 173.3 | 179.4 | 161.8 | 0 | 115.3 | | |
| 64 | K | 37.1 | Very low | 35.1 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 65% | 0.652 | 77% | 0.765 | S | S | * | * | | | | 69.9 | 126.6 | 124 | -80.7 | 178.8 | 163.1 | -117.2 | 0 | 123.5 | | |
| 65 | E | 35.8 | Very low | 35.2 | Very low | 133 Ų | 133 | 142.2 Ų | 142.2 | 62% | 0.621 | 76% | 0.755 | S | S | * | * | | | | 62.4 | 138.7 | 129.1 | -69.6 | -173.8 | 101.4 | 0 | 0 | 117.5 | | |
| 66 | R | 34.4 | Very low | 35.3 | Very low | 224 Ų | 224 | 141.2 Ų | 141.2 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | | | cis | 179.6 | 145 | 38.8 | -143.1 | 169.9 | -178.2 | -130.8 | 0.6 | 110 | | |
| 67 | G | 29.6 | Very low | 35.2 | Very low | 83 Ų | 83 | 137.7 Ų | 137.7 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | | | trans | 73.1 | 145.2 | 145.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 68 | G | 31.3 | Very low | 35 | Very low | 73 Ų | 73 | 137.2 Ų | 137.2 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | | | cis | -170.5 | 148.9 | 1.7 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 69 | S | 32.8 | Very low | 35.1 | Very low | 103 Ų | 103 | 135.4 Ų | 135.4 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | | | | 110.7 | 112.9 | 84.1 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 70 | F | 31.1 | Very low | 35.3 | Very low | 175 Ų | 175 | 133.3 Ų | 133.3 | 77% | 0.768 | 74% | 0.743 | S | S | * | * | | | trans | 69.9 | 142.4 | 146.5 | -81 | -110.1 | 0 | 0 | 0 | 117.4 | | |
| 71 | K | 33.6 | Very low | 35.6 | Very low | 193 Ų | 193 | 133 Ų | 133 | 84% | 0.839 | 75% | 0.746 | S | S | * | * | | | cis | -171.7 | 155.4 | 15.9 | -146.7 | 172.8 | -167.9 | -179.6 | 0 | 109.1 | | |
| 72 | G | 32.3 | Very low | 35.3 | Very low | 69 Ų | 69 | 137.9 Ų | 137.9 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | | | trans | 128.5 | 85.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 73 | A | 34.5 | Very low | 35.3 | Very low | 92 Ų | 92 | 138.6 Ų | 138.6 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | | | | 70.9 | 96.3 | 90.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 74 | E | 38.5 | Very low | 35 | Very low | 178 Ų | 178 | 136.1 Ų | 136.1 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | | 79.4 | 135.5 | 101.2 | -83.9 | -166.2 | 177.2 | 0 | 0 | 111.6 | | |
| 75 | E | 35.5 | Very low | 35.5 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | | | cis | -167 | 150.9 | 17.6 | -142 | -171.1 | 126.1 | 0 | 0 | 107.2 | | |
| 76 | T | 37.9 | Very low | 35.5 | Very low | 99 Ų | 99 | 135 Ų | 135 | 61% | 0.607 | 78% | 0.776 | S | S | * | * | | | trans | 36.4 | 151.1 | 139.6 | 56.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 77 | D | 34.7 | Very low | 35.7 | Very low | 134 Ų | 134 | 128.1 Ų | 128.1 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | | | cis | -168.8 | 176.7 | -5.8 | -101.6 | -35.3 | 0 | 0 | 0 | 104.8 | | |
| 78 | D | 32.1 | Very low | 36.3 | Very low | 157 Ų | 157 | 130.6 Ų | 130.6 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | | | trans | 88.7 | 114.1 | 156.7 | -61 | -48.5 | 0 | 0 | 0 | 121.5 | | |
| 79 | V | 40 | Very low | 36.7 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | | | trans | -86.5 | 137.6 | 158.2 | 172.9 | 0 | 0 | 0 | 0 | 107 | | |
| 80 | P | 42.3 | Very low | 37.2 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | | | | -149.6 | 148.7 | 99.7 | 33.2 | -12.2 | 0 | 0 | 0 | 117.2 | | |
| 81 | L | 39.9 | Very low | 37.7 | Very low | 153 Ų | 153 | 130.9 Ų | 130.9 | 80% | 0.801 | 77% | 0.772 | S | S | * | * | | | trans | -10.2 | 129.2 | 153 | -58.3 | 166 | 0 | 0 | 0 | 116.9 | | |
| 82 | Q | 32.4 | Very low | 38.4 | Very low | 179 Ų | 179 | 128.2 Ų | 128.2 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | | | | -170 | 108.3 | 123.2 | -102.7 | 164.1 | 32.4 | 0 | 0 | 112.4 | | |
| 83 | N | 35.1 | Very low | 38.9 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | | | trans | -18.2 | 120.7 | 140.3 | 37.1 | 13.6 | 0 | 0 | 0 | 116.2 | | |
| 84 | S | 34 | Very low | 39.7 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | | | trans | -138.4 | 118.7 | 147.4 | -170.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 85 | S | 47.2 | Very low | 40.3 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | | | trans | -59.4 | 144.7 | 176.5 | 51 | 0 | 0 | 0 | 0 | 113 | | |
| 86 | N | 36.9 | Very low | 40.9 | Very low | 165 Ų | 165 | 128.2 Ų | 128.2 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | | | trans | -152.8 | 79 | 143.3 | -81.4 | -36.6 | 0 | 0 | 0 | 108.6 | | |
| 87 | G | 38.2 | Very low | 41.2 | Very low | 79 Ų | 79 | 129 Ų | 129 | 81% | 0.814 | 76% | 0.764 | S | S | * | * | | | trans | -84.9 | 108.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S89 | G87-S89 PolarHBondContact O-N 3.39Š|
| 88 | T | 42.2 | Very low | 41.3 | Very low | 134 Ų | 134 | 126.6 Ų | 126.6 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | | | trans | -80 | 108.9 | 165.3 | -53.2 | 0 | 0 | 0 | 0 | 108.2 | I90 | T88-I90 PolarHBondContact O-N 2.81Š|
| 89 | S | 38.7 | Very low | 42 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | -72.2 | 120.3 | 175.1 | 48.6 | 0 | 0 | 0 | 0 | 110.5 | G87 | G87-S89 PolarHBondContact O-N 3.39Š|
| 90 | I | 45.1 | Very low | 42.1 | Very low | 150 Ų | 150 | 133 Ų | 133 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | trans | -88.4 | 106.8 | 168.8 | -63.7 | 176 | 0 | 0 | 0 | 107.6 | T88 I92 | T88-I90 PolarHBondContact O-N 2.81Å; I90-I92 HydrophobicContact CG2-CG1 4.25Å |
| 91 | S | 40.2 | Very low | 42.1 | Very low | 100 Ų | 100 | 134 Ų | 134 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | trans | -75 | 117 | 169.2 | 45.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 92 | I | 48.2 | Very low | 42 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | | | trans | -97.1 | 111.4 | 169.5 | -57.6 | 178.8 | 0 | 0 | 0 | 107.7 | I90 I94 | I90-I92 HydrophobicContact CG2-CG1 4.25Å; I92-I94 HydrophobicContact CG2-CG1 4.28Å |
| 93 | I | 43.5 | Very low | 42.3 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 66% | 0.662 | 77% | 0.768 | S | S | * | * | | | trans | -79.8 | 120.9 | 173.9 | -59.4 | 175.8 | 0 | 0 | 0 | 108.1 | | |
| 94 | I | 50.5 | Low | 42.5 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 67% | 0.667 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -119.2 | 108.5 | 161 | -59.2 | 179.8 | 0 | 0 | 0 | 107.5 | I92 G96 | I92-I94 HydrophobicContact CG2-CG1 4.28Å; I94-G96 PolarHBondContact O-N 3.3Å |
| 95 | N | 51.4 | Low | 42.6 | Very low | 161 Ų | 161 | 129.4 Ų | 129.4 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.5 | 51.1 | 172.9 | -60.8 | -5.5 | 0 | 0 | 0 | 116.4 | V97 | N95-V97 PolarHBondContact O-N 3.43Š|
| 96 | G | 49.2 | Very low | 42 | Very low | 65 Ų | 65 | 129.1 Ų | 129.1 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.9 | 9.5 | 155.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | I94 | I94-G96 PolarHBondContact O-N 3.3Š|
| 97 | V | 43.3 | Very low | 42.5 | Very low | 114 Ų | 114 | 129 Ų | 129 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | | | trans | -143.2 | 119.5 | 165.4 | -176 | 0 | 0 | 0 | 0 | 109.9 | N95 | N95-V97 PolarHBondContact O-N 3.43Š|
| 98 | A | 37.2 | Very low | 42.6 | Very low | 85 Ų | 85 | 132.1 Ų | 132.1 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | | | trans | -74.7 | 132.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 99 | R | 45.8 | Very low | 42.3 | Very low | 231 Ų | 231 | 132.7 Ų | 132.7 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | | | trans | -139 | 118.3 | 164.4 | -73.2 | -80.8 | -175.3 | 174.4 | -2.9 | 107.6 | | |
| 100 | E | 42.8 | Very low | 42 | Very low | 192 Ų | 192 | 137.8 Ų | 137.8 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | | | trans | -67.8 | 136.9 | 176 | -68.9 | 174.2 | 140.3 | 0 | 0 | 111.2 | | |
| 101 | T | 42.9 | Very low | 41.7 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | | | trans | -139 | 116.4 | 158.8 | 51.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 102 | A | 37 | Very low | 42 | Very low | 103 Ų | 103 | 147 Ų | 147 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | | | trans | -65.5 | 145.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 103 | S | 38.7 | Very low | 41.5 | Very low | 98 Ų | 98 | 146.3 Ų | 146.3 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | | | trans | -71.7 | 156.4 | 170.6 | 71.3 | 0 | 0 | 0 | 0 | 112 | | |
| 104 | L | 39.7 | Very low | 41.2 | Very low | 169 Ų | 169 | 145.9 Ų | 145.9 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | | | trans | -148.5 | 143.3 | 130.9 | -105.3 | 165.4 | 0 | 0 | 0 | 110.7 | | |
| 105 | N | 36.1 | Very low | 40.5 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 72% | 0.717 | 81% | 0.807 | S | S | * | * | | | trans | -74.1 | 156.6 | -163.2 | -59.1 | -73.5 | 0 | 0 | 0 | 115 | | |
| 106 | A | 33.9 | Very low | 39.9 | Very low | 91 Ų | 91 | 145.5 Ų | 145.5 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | | | | -175.5 | 99.6 | 124.4 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 107 | L | 49 | Very low | 39.6 | Very low | 161 Ų | 161 | 149.8 Ų | 149.8 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | | | | 59.5 | 112.9 | 109.4 | -57.9 | -167.3 | 0 | 0 | 0 | 113.8 | | |
| 108 | D | 39.8 | Very low | 39.2 | Very low | 145 Ų | 145 | 151.8 Ų | 151.8 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | | | | 155.5 | 148.8 | 107.2 | -155.1 | 7.5 | 0 | 0 | 0 | 113.2 | | |
| 109 | L | 35.4 | Very low | 39.1 | Very low | 147 Ų | 147 | 152.3 Ų | 152.3 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | | | trans | 66.4 | 90.8 | 170.1 | -64.2 | 113.8 | 0 | 0 | 0 | 120.3 | R111 | L109-R111 PolarHBondContact O-N 3.31Š|
| 110 | K | 32.4 | Very low | 39.1 | Very low | 214 Ų | 214 | 152 Ų | 152 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | | | trans | -76.3 | 104.5 | 155.8 | 25.9 | -174.9 | 170.6 | -175.2 | 0 | 109.5 | | |
| 111 | R | 39.7 | Very low | 39 | Very low | 242 Ų | 242 | 153 Ų | 153 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | | | trans | -90.5 | 119.2 | 157.2 | -124 | 176.8 | -175.3 | 167.9 | 1.5 | 106.7 | L109 | L109-R111 PolarHBondContact O-N 3.31Š|
| 112 | E | 46.6 | Very low | 38.6 | Very low | 200 Ų | 200 | 153.8 Ų | 153.8 | 94% | 0.935 | 80% | 0.803 | S | S | * | * | | | trans | -58.1 | 133.3 | 175.2 | -83.5 | 174.3 | 133.1 | 0 | 0 | 111.8 | | |
| 113 | V | 36 | Very low | 38.9 | Very low | 125 Ų | 125 | 153.5 Ų | 153.5 | 76% | 0.758 | 80% | 0.8 | S | S | * | * | | | trans | -134.9 | 130.1 | 160.9 | -179.4 | 0 | 0 | 0 | 0 | 106.5 | | |
| 114 | P | 38.8 | Very low | 38.8 | Very low | 120 Ų | 120 | 156.4 Ų | 156.4 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | | | trans | -72.6 | 133.9 | -162.9 | 28.4 | -34.6 | 0 | 0 | 0 | 112.4 | | |
| 115 | V | 35.8 | Very low | 38.5 | Very low | 134 Ų | 134 | 157.9 Ų | 157.9 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | | | trans | -80.5 | 117 | 172.1 | 176.8 | 0 | 0 | 0 | 0 | 108.3 | E117 | V115-E117 PolarHBondContact O-N 3.35Š|
| 116 | I | 37 | Very low | 38.9 | Very low | 149 Ų | 149 | 156.3 Ų | 156.3 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | | | trans | -75.2 | 108.4 | 166.5 | -60.4 | 172.8 | 0 | 0 | 0 | 106.9 | L118 | I116-L118 HydrophobicContact CG2-CG 4.41Å; I116-L118 PolarHBondContact O-N 3Å |
| 117 | E | 43.8 | Very low | 39 | Very low | 154 Ų | 154 | 160.3 Ų | 160.3 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | | | trans | -79 | 116.1 | 174.9 | -149.3 | -152.8 | -147.9 | 0 | 0 | 109.6 | V115 S119 | V115-E117 PolarHBondContact O-N 3.35Å; E117-S119 PolarHBondContact OE2-OG 3.42Å |
| 118 | L | 34.2 | Very low | 38.7 | Very low | 157 Ų | 157 | 160.7 Ų | 160.7 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | | | trans | -102.9 | 83.9 | 168.6 | -70.4 | 172 | 0 | 0 | 0 | 108.1 | I116 R120 | I116-L118 HydrophobicContact CG2-CG 4.41Å; I116-L118 PolarHBondContact O-N 3Å; L118-R120 PolarHBondContact O-N 3.12Å |
| 119 | S | 36.5 | Very low | 38.6 | Very low | 96 Ų | 96 | 162.6 Ų | 162.6 | 67% | 0.671 | 82% | 0.821 | S | S | * | * | | | trans | -59.5 | 124.1 | 170.4 | 8.4 | 0 | 0 | 0 | 0 | 109.5 | E117 | E117-S119 PolarHBondContact OE2-OG 3.42Š|
| 120 | R | 46.1 | Very low | 38.5 | Very low | 224 Ų | 224 | 165.6 Ų | 165.6 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | | | trans | -72.3 | 138.6 | 165 | -62.3 | 178.2 | -172.8 | -136.2 | 0.7 | 108.3 | L118 | L118-R120 PolarHBondContact O-N 3.12Š|
| 121 | R | 39.9 | Very low | 38.8 | Very low | 214 Ų | 214 | 161.1 Ų | 161.1 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | | | | 165.9 | 142.4 | 109 | -92.2 | -179.2 | -170.5 | 113.8 | -2.4 | 113.4 | | |
| 122 | D | 33.5 | Very low | 38.5 | Very low | 153 Ų | 153 | 156.8 Ų | 156.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | 84 | 137.3 | 146.9 | -52.6 | -22.6 | 0 | 0 | 0 | 121.5 | | |
| 123 | A | 44.8 | Very low | 38.3 | Very low | 97 Ų | 97 | 152.3 Ų | 152.3 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | | | trans | -80 | 132.9 | -163.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 124 | I | 35.4 | Very low | 38.7 | Very low | 159 Ų | 159 | 155.4 Ų | 155.4 | 82% | 0.815 | 80% | 0.8 | S | S | * | * | | | trans | -146.1 | 114.9 | 154.5 | -58.2 | -176.2 | 0 | 0 | 0 | 110.7 | | |
| 125 | K | 34.7 | Very low | 39.2 | Very low | 199 Ų | 199 | 157 Ų | 157 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | | | trans | 29.7 | 133.5 | 138.9 | -55.5 | 177.5 | -179.1 | 176.6 | 0 | 120.5 | | |
| 126 | A | 42.7 | Very low | 39.5 | Very low | 102 Ų | 102 | 155.7 Ų | 155.7 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | -34.3 | 134.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 127 | L | 37.2 | Very low | 39.8 | Very low | 174 Ų | 174 | 154.1 Ų | 154.1 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | | | trans | -141.5 | 119.9 | 144.3 | -172.1 | 59.7 | 0 | 0 | 0 | 109.2 | | |
| 128 | E | 42.4 | Very low | 39.9 | Very low | 170 Ų | 170 | 153.9 Ų | 153.9 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | | | trans | -79.9 | 136.1 | -174.7 | -174.4 | 170.4 | -171.9 | 0 | 0 | 110.3 | | |
| 129 | Q | 37.4 | Very low | 40.7 | Very low | 185 Ų | 185 | 152.7 Ų | 152.7 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | -169.9 | 109.2 | 141.7 | -107.7 | 167.4 | 19.1 | 0 | 0 | 112.6 | | |
| 130 | R | 34.1 | Very low | 41.4 | Very low | 209 Ų | 209 | 156.6 Ų | 156.6 | 79% | 0.789 | 80% | 0.801 | S | S | * | * | | | trans | 55.8 | 119.1 | 134.7 | -122.4 | 176.6 | 173.9 | -170.3 | -2.8 | 116.6 | | |
| 131 | T | 38 | Very low | 41.4 | Very low | 120 Ų | 120 | 154.5 Ų | 154.5 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | | | | -152.4 | 125.2 | 55.7 | 46.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 132 | E | 34.6 | Very low | 42.3 | Very low | 152 Ų | 152 | 155.6 Ų | 155.6 | 71% | 0.71 | 81% | 0.81 | S | S | * | * | | | trans | 39.7 | 95.9 | 136.3 | -71.4 | 168.5 | -166 | 0 | 0 | 119.4 | | |
| 133 | S | 41.8 | Very low | 43.8 | Very low | 106 Ų | 106 | 159 Ų | 159 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | | | | 31.2 | 108.7 | 122.8 | 59.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 134 | H | 44.2 | Very low | 44.3 | Very low | 190 Ų | 190 | 159.5 Ų | 159.5 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | | | | -145 | 118.2 | 126.6 | -142.3 | -80.3 | 0 | 0 | 0 | 110.7 | | |
| 135 | L | 48.4 | Very low | 45.9 | Very low | 152 Ų | 152 | 157.4 Ų | 157.4 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | | | trans | -66 | 138.3 | 170.4 | -77.1 | 157.1 | 0 | 0 | 0 | 109.7 | | |
| 136 | V | 42.8 | Very low | 47.2 | Very low | 107 Ų | 107 | 154 Ų | 154 | 65% | 0.648 | 80% | 0.801 | S | S | * | * | | | trans | 9.8 | 140 | 159.3 | -122 | 0 | 0 | 0 | 0 | 119.1 | I138 | V136-I138 HydrophobicContact CG1-CG2 4.21Š|
| 137 | P | 42.4 | Very low | 48.2 | Very low | 117 Ų | 117 | 156.7 Ų | 156.7 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | | | | -129.9 | 132.8 | 92.5 | 14.4 | 5.2 | 0 | 0 | 0 | 113.2 | T139 | P137-T139 PolarHBondContact O-N 3.44Å; P137-T139 VanDerWaalsContact O-N 3.13Å |
| 138 | I | 47.6 | Very low | 49.3 | Very low | 149 Ų | 149 | 154.4 Ų | 154.4 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | | | trans | -58.3 | 111.7 | 162.5 | 36.5 | 167.3 | 0 | 0 | 0 | 107.4 | V136 E140 | V136-I138 HydrophobicContact CG1-CG2 4.21Å; I138-E140 PolarHBondContact O-N 2.83Å; I138-E140 VanDerWaalsContact O-N 3.07Å |
| 139 | T | 49.6 | Very low | 50.2 | Low | 131 Ų | 131 | 154 Ų | 154 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -68.4 | 108 | 171.1 | 52.6 | 0 | 0 | 0 | 0 | 107.4 | P137 L141 | P137-T139 PolarHBondContact O-N 3.44Å; P137-T139 VanDerWaalsContact O-N 3.13Å; T139-L141 PolarHBondContact O-N 3.03Å; T139-L141 VanDerWaalsContact O-N 3.16Å |
| 140 | E | 51.3 | Low | 51.5 | Low | 179 Ų | 179 | 150.5 Ų | 150.5 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | | | trans | -53.1 | 121.5 | 165.4 | -68.3 | -153.9 | 152.2 | 0 | 0 | 108.9 | I138 R142 | I138-E140 PolarHBondContact O-N 2.83Å; I138-E140 VanDerWaalsContact O-N 3.07Å; E140-R142 VanDerWaalsContact C-N 3.28Å; E140-R142 PolarHBondContact O-N 3.48Å |
| 141 | L | 46.2 | Very low | 52.9 | Low | 179 Ų | 179 | 146 Ų | 146 | 94% | 0.937 | 79% | 0.79 | S | S | * | * | | | trans | -62.9 | 93.9 | 168.4 | -96.2 | 156.4 | 0 | 0 | 0 | 107.9 | T139 R143 | T139-L141 PolarHBondContact O-N 3.03Å; T139-L141 VanDerWaalsContact O-N 3.16Å; L141-R143 PolarHBondContact O-N 3.05Å |
| 142 | R | 58.7 | Low | 53.6 | Low | 238 Ų | 238 | 146.3 Ų | 146.3 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 121.2 | 177.2 | -143.1 | -177.1 | -171.8 | 153.4 | 3.2 | 108.9 | E140 | E140-R142 VanDerWaalsContact C-N 3.28Å; E140-R142 PolarHBondContact O-N 3.48Å |
| 143 | R | 64.5 | Low | 54.2 | Low | 225 Ų | 225 | 146.5 Ų | 146.5 | 85% | 0.849 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -54 | 132.5 | 170.7 | -170.2 | -176.1 | -64.6 | 146 | 0.2 | 109 | L141 | L141-R143 PolarHBondContact O-N 3.05Š|
| 144 | P | 57.1 | Low | 54.7 | Low | 106 Ų | 106 | 152 Ų | 152 | 69% | 0.688 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -62 | 146 | 179.5 | 24.1 | -31.9 | 0 | 0 | 0 | 110.8 | | |
| 145 | P | 67.6 | Low | 54.8 | Low | 115 Ų | 115 | 148.8 Ų | 148.8 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 146.3 | -178.5 | 27.6 | -33.5 | 0 | 0 | 0 | 111 | L147 | P145-L147 PolarHBondContact O-N 3.2Š|
| 146 | P | 61.6 | Low | 55 | Low | 128 Ų | 128 | 149.2 Ų | 149.2 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 133.8 | 177.2 | 27.3 | -31.6 | 0 | 0 | 0 | 110.2 | | |
| 147 | L | 64.9 | Low | 55.4 | Low | 159 Ų | 159 | 147.2 Ų | 147.2 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 148.4 | 174.2 | -68.4 | 167.3 | 0 | 0 | 0 | 110.6 | P145 L149 | P145-L147 PolarHBondContact O-N 3.2Å; L147-L149 PolarHBondContact O-N 3.4Å |
| 148 | P | 59.8 | Low | 56 | Low | 125 Ų | 125 | 152 Ų | 152 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 132 | 178.2 | -12.4 | 26.8 | 0 | 0 | 0 | 111.1 | | |
| 149 | L | 62.6 | Low | 56.1 | Low | 163 Ų | 163 | 153.6 Ų | 153.6 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71 | 141.3 | 170.1 | -69.8 | 163.8 | 0 | 0 | 0 | 110 | L147 | L147-L149 PolarHBondContact O-N 3.4Š|
| 150 | P | 64.1 | Low | 56.1 | Low | 111 Ų | 111 | 152.6 Ų | 152.6 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 148.5 | 172.5 | 27.1 | -32 | 0 | 0 | 0 | 111 | | |
| 151 | P | 62.9 | Low | 56.2 | Low | 115 Ų | 115 | 151.4 Ų | 151.4 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 152.8 | -177.3 | 27.2 | -33.6 | 0 | 0 | 0 | 111.8 | H153 | P151-H153 PolarHBondContact O-N 3.13Å; P151-H153 VanDerWaalsContact O-N 3.08Å |
| 152 | P | 53 | Low | 56.2 | Low | 125 Ų | 125 | 150.5 Ų | 150.5 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | trans | -66.3 | 112.4 | 178.8 | 27 | -32.5 | 0 | 0 | 0 | 109.7 | R154 | P152-R154 PolarHBondContact O-N 3.12Š|
| 153 | H | 46.3 | Very low | 56 | Low | 156 Ų | 156 | 142.8 Ų | 142.8 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | | | trans | -69.3 | 118.4 | 165.6 | -159.4 | 48.7 | 0 | 0 | 0 | 107.6 | P151 D155 | P151-H153 PolarHBondContact O-N 3.13Å; P151-H153 VanDerWaalsContact O-N 3.08Å; H153-D155 VanDerWaalsContact C-N 3.33Å; H153-D155 VanDerWaalsContact CD2-CG 3.42Å; H153-D155 IonicContact CD2-OD1 3.15Å; H153-D155 PolarHBondContact CD2-OD1 3.3Å; H153-D155 IonicContact CD2-OD2 3.24Å; H153-D155 PolarHBondContact CD2-OD2 3.39Å; H153-D155 VanDerWaalsContact CD2-OD2 3.24Å; H153-D155 IonicContact NE2-OD1 3.35Å; H153-D155 PolarHBondContact NE2-OD1 3.44Å; H153-D155 PolarHBondContact O-N 2.92Å; H153-D155 VanDerWaalsContact O-N 3.13Å |
| 154 | R | 53.1 | Low | 55.4 | Low | 221 Ų | 221 | 138 Ų | 138 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | | | trans | -76.9 | 89.9 | 168.8 | -75.6 | -166 | 151.7 | -163.9 | -6.7 | 107.9 | P152 D156 | P152-R154 PolarHBondContact O-N 3.12Å; R154-D156 PolarHBondContact O-N 3.46Å |
| 155 | D | 46.5 | Very low | 54.9 | Low | 123 Ų | 123 | 140 Ų | 140 | 66% | 0.658 | 76% | 0.764 | S | S | * | * | | | trans | -87.1 | 94.9 | 161.6 | -72.6 | -44.3 | 0 | 0 | 0 | 108.5 | H153 A157 | H153-D155 VanDerWaalsContact C-N 3.33Å; H153-D155 VanDerWaalsContact CD2-CG 3.42Å; H153-D155 IonicContact CD2-OD1 3.15Å; H153-D155 PolarHBondContact CD2-OD1 3.3Å; H153-D155 IonicContact CD2-OD2 3.24Å; H153-D155 PolarHBondContact CD2-OD2 3.39Å; H153-D155 VanDerWaalsContact CD2-OD2 3.24Å; H153-D155 IonicContact NE2-OD1 3.35Å; H153-D155 PolarHBondContact NE2-OD1 3.44Å; H153-D155 PolarHBondContact O-N 2.92Å; H153-D155 VanDerWaalsContact O-N 3.13Å; D155-A157 VanDerWaalsContact C-N 3.28Å; D155-A157 PolarHBondContact O-N 3.01Å |
| 156 | D | 51.5 | Low | 53.7 | Low | 161 Ų | 161 | 138.8 Ų | 138.8 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | | | trans | -61.4 | 89.3 | 160 | -80.3 | -41.7 | 0 | 0 | 0 | 109.2 | R154 | R154-D156 PolarHBondContact O-N 3.46Š|
| 157 | A | 52.9 | Low | 53.6 | Low | 66 Ų | 66 | 141 Ų | 141 | 55% | 0.545 | 76% | 0.761 | S | S | . | * | | | trans | -172.8 | 107.5 | 151.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D155 | D155-A157 VanDerWaalsContact C-N 3.28Å; D155-A157 PolarHBondContact O-N 3.01Å |
| 158 | R | 53.6 | Low | 53.1 | Low | 218 Ų | 218 | 139.3 Ų | 139.3 | 82% | 0.823 | 76% | 0.759 | S | S | * | * | | | trans | 52.9 | 103.7 | 143.5 | 70.8 | -141.8 | 178.7 | -168.8 | -0.4 | 118.4 | V160 | R158-V160 PolarHBondContact O-N 3.47Š|
| 159 | M | 49.4 | Very low | 52.8 | Low | 181 Ų | 181 | 139.5 Ų | 139.5 | 89% | 0.892 | 76% | 0.758 | S | S | * | * | | | trans | -40.4 | 107.8 | 154.6 | -64.3 | -80.9 | -77 | 0 | 0 | 111.4 | | |
| 160 | V | 50.6 | Low | 52.3 | Low | 111 Ų | 111 | 137 Ų | 137 | 67% | 0.673 | 75% | 0.752 | S | S | * | * | | | trans | -103.5 | 94.4 | 164.1 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | R158 L162 | R158-V160 PolarHBondContact O-N 3.47Å; V160-L162 HydrophobicContact CG1-CD2 4.13Å; V160-L162 HydrophobicContact CG1-CG 4.5Å; V160-L162 PolarHBondContact O-N 3.26Å; V160-L162 VanDerWaalsContact O-N 3.14Å |
| 161 | Q | 52.4 | Low | 51.9 | Low | 153 Ų | 153 | 136.6 Ų | 136.6 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | | | trans | -58.9 | 101.7 | 166.5 | -175.8 | 106.7 | 18.4 | 0 | 0 | 109.4 | S163 | Q161-S163 VanDerWaalsContact C-N 3.26Å; Q161-S163 WeakPolarHBondContact CG-OG 3.29Å; Q161-S163 PolarHBondContact O-N 3.13Å; Q161-S163 VanDerWaalsContact O-N 3.15Å |
| 162 | L | 46.5 | Very low | 51.7 | Low | 161 Ų | 161 | 142.7 Ų | 142.7 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | | | trans | -85.1 | 75 | 165.1 | -65.2 | -179.7 | 0 | 0 | 0 | 109.2 | V160 | V160-L162 HydrophobicContact CG1-CD2 4.13Å; V160-L162 HydrophobicContact CG1-CG 4.5Å; V160-L162 PolarHBondContact O-N 3.26Å; V160-L162 VanDerWaalsContact O-N 3.14Å |
| 163 | S | 54.4 | Low | 51.5 | Low | 75 Ų | 75 | 141.5 Ų | 141.5 | 52% | 0.524 | 77% | 0.766 | S | S | . | * | | | trans | -63.2 | 145.3 | 160.6 | -61.9 | 0 | 0 | 0 | 0 | 109.5 | Q161 N165 | Q161-S163 VanDerWaalsContact C-N 3.26Å; Q161-S163 WeakPolarHBondContact CG-OG 3.29Å; Q161-S163 PolarHBondContact O-N 3.13Å; Q161-S163 VanDerWaalsContact O-N 3.15Å; S163-N165 PolarHBondContact O-N 3.17Å |
| 164 | P | 53.6 | Low | 51.8 | Low | 124 Ų | 124 | 142.8 Ų | 142.8 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | | | trans | -57.3 | 127.6 | 166.6 | -19.8 | 31.3 | 0 | 0 | 0 | 109 | A166 | P164-A166 PolarHBondContact O-N 2.98Š|
| 165 | N | 44.9 | Very low | 51.7 | Low | 148 Ų | 148 | 138.9 Ų | 138.9 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | -63.4 | 99.8 | -179.3 | -145.2 | 21.9 | 0 | 0 | 0 | 108.8 | S163 F167 | S163-N165 PolarHBondContact O-N 3.17Å; N165-F167 PolarHBondContact O-N 3.35Å |
| 166 | A | 43.8 | Very low | 51.7 | Low | 91 Ų | 91 | 142.5 Ų | 142.5 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | | | trans | -75.2 | 106.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | P164 | P164-A166 PolarHBondContact O-N 2.98Š|
| 167 | F | 58.2 | Low | 51.3 | Low | 173 Ų | 173 | 143 Ų | 143 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | | | trans | -64.6 | 135.8 | 164.5 | -85 | -92.6 | 0 | 0 | 0 | 109.3 | N165 V169 | N165-F167 PolarHBondContact O-N 3.35Å; F167-V169 PolarHBondContact O-N 2.91Å; F167-V169 VanDerWaalsContact O-N 3.12Å |
| 168 | P | 55.1 | Low | 51.3 | Low | 124 Ų | 124 | 148 Ų | 148 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | | | trans | -72.6 | 106.3 | 173.2 | 28.5 | -30.8 | 0 | 0 | 0 | 109.3 | | |
| 169 | V | 53.7 | Low | 50.9 | Low | 130 Ų | 130 | 141.9 Ų | 141.9 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | | | trans | -74.3 | 129.2 | 165.9 | -175.3 | 0 | 0 | 0 | 0 | 107.6 | F167 A171 | F167-V169 PolarHBondContact O-N 2.91Å; F167-V169 VanDerWaalsContact O-N 3.12Å; V169-A171 PolarHBondContact O-N 3.07Å |
| 170 | P | 51.6 | Low | 50.8 | Low | 110 Ų | 110 | 142.3 Ų | 142.3 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | | | trans | -64.5 | 126.2 | 178.4 | 23.1 | -30 | 0 | 0 | 0 | 111 | R172 | P170-R172 PolarHBondContact O-N 3.16Š|
| 171 | A | 56.8 | Low | 50.8 | Low | 102 Ų | 102 | 142.4 Ų | 142.4 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | -64.4 | 94.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V169 | V169-A171 PolarHBondContact O-N 3.07Š|
| 172 | R | 57.5 | Low | 50.3 | Low | 244 Ų | 244 | 143.7 Ų | 143.7 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | | | trans | -139.9 | 14.4 | 173.8 | -98.3 | -170.4 | 160.5 | -179.5 | -6.4 | 116.7 | P170 | P170-R172 PolarHBondContact O-N 3.16Š|
| 173 | A | 48.3 | Very low | 50.2 | Low | 99 Ų | 99 | 140.1 Ų | 140.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -131.2 | 60.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 174 | M | 52.7 | Low | 49.8 | Very low | 183 Ų | 183 | 140.9 Ų | 140.9 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | | | trans | -127.1 | 40.5 | 170.5 | -77.4 | -84.3 | -160.2 | 0 | 0 | 110.1 | | |
| 175 | L | 51.2 | Low | 49.3 | Very low | 139 Ų | 139 | 142.6 Ų | 142.6 | 73% | 0.728 | 81% | 0.81 | S | S | * | * | | | trans | -146.6 | 133.1 | 171.3 | -100.7 | 116.4 | 0 | 0 | 0 | 111.4 | | |
| 176 | Y | 47.6 | Very low | 49 | Very low | 200 Ų | 200 | 142.9 Ų | 142.9 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | | | trans | 83.5 | 80.8 | 174.9 | -53.8 | -75.1 | 0 | 0 | 0 | 117.1 | | |
| 177 | N | 43.4 | Very low | 48.6 | Very low | 170 Ų | 170 | 144.5 Ų | 144.5 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | | | | -145.3 | 78 | 127 | -112.8 | -34 | 0 | 0 | 0 | 109.7 | | |
| 178 | L | 53 | Low | 47.7 | Very low | 172 Ų | 172 | 144.5 Ų | 144.5 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | | | trans | -105.3 | 64.6 | 168.2 | -179.7 | 59.7 | 0 | 0 | 0 | 109.5 | | |
| 179 | A | 44.8 | Very low | 46.9 | Very low | 89 Ų | 89 | 142 Ų | 142 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | | | trans | -148.3 | 108 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 180 | Q | 46.9 | Very low | 46.1 | Very low | 190 Ų | 190 | 139 Ų | 139 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | | | trans | -65.8 | 173.8 | 160.6 | -104.5 | -172.6 | -16.6 | 0 | 0 | 111.2 | | |
| 181 | P | 50.4 | Low | 45.6 | Very low | 114 Ų | 114 | 142 Ų | 142 | 74% | 0.74 | 82% | 0.821 | S | S | * | * | | | trans | -90.8 | 150.3 | -139.7 | 37.1 | -34.8 | 0 | 0 | 0 | 113.6 | | |
| 182 | L | 42 | Very low | 44.8 | Very low | 180 Ų | 180 | 142.1 Ų | 142.1 | 94% | 0.942 | 82% | 0.815 | S | S | * | * | | | trans | -106.6 | 115.3 | 155.1 | -88 | 171.9 | 0 | 0 | 0 | 109.7 | | |
| 183 | A | 44.7 | Very low | 44.3 | Very low | 86 Ų | 86 | 140.3 Ų | 140.3 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | | | trans | -65.4 | 157.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 184 | A | 45.1 | Very low | 44 | Very low | 91 Ų | 91 | 143.6 Ų | 143.6 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | | | trans | 60.6 | 111.8 | 146.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 185 | I | 43.9 | Very low | 43.8 | Very low | 160 Ų | 160 | 146 Ų | 146 | 82% | 0.821 | 82% | 0.816 | S | S | * | * | | | trans | 176.1 | 125.6 | 131.1 | 49.6 | 172.9 | 0 | 0 | 0 | 105.1 | | |
| 186 | N | 37.7 | Very low | 43.5 | Very low | 153 Ų | 153 | 144.4 Ų | 144.4 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | cis | -141.1 | 126.1 | 35.3 | -76.7 | -40.9 | 0 | 0 | 0 | 110.5 | | |
| 187 | S | 35.8 | Very low | 43.9 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 88% | 0.881 | 82% | 0.818 | S | S | * | * | | | trans | -88.1 | 123 | 154.9 | -173.2 | 0 | 0 | 0 | 0 | 106.8 | | |
| 188 | L | 39.8 | Very low | 44.3 | Very low | 172 Ų | 172 | 144.3 Ų | 144.3 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | | | trans | -118 | 104.6 | 160.1 | -175.2 | 68.5 | 0 | 0 | 0 | 107.4 | | |
| 189 | G | 38.9 | Very low | 44.3 | Very low | 72 Ų | 72 | 140.9 Ų | 140.9 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | trans | 62.4 | 117.5 | 145.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 190 | G | 35 | Very low | 44.5 | Very low | 67 Ų | 67 | 142 Ų | 142 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | | | trans | 149.9 | 78 | 161.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 191 | E | 42.3 | Very low | 44.6 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | | | trans | -50.8 | 131.9 | 157.8 | 50.3 | -97.2 | 90.8 | 0 | 0 | 111.9 | | |
| 192 | S | 39.1 | Very low | 44.9 | Very low | 104 Ų | 104 | 145.8 Ų | 145.8 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | trans | 165.6 | 128.6 | 136.4 | 41 | 0 | 0 | 0 | 0 | 109.9 | Q194 | S192-Q194 PolarHBondContact O-N 3.17Å; S192-Q194 VanDerWaalsContact O-N 3.14Å |
| 193 | E | 47.9 | Very low | 45.4 | Very low | 205 Ų | 205 | 142.4 Ų | 142.4 | 96% | 0.958 | 79% | 0.793 | S | S | * | * | | | trans | -59.1 | 114.2 | 171.2 | -65.2 | -152 | 149.4 | 0 | 0 | 110.4 | | |
| 194 | Q | 41.4 | Very low | 46 | Very low | 169 Ų | 169 | 148.6 Ų | 148.6 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | trans | -141 | 106.8 | 166.1 | -155.1 | 155.5 | 0.4 | 0 | 0 | 108.5 | S192 S196 | S192-Q194 PolarHBondContact O-N 3.17Å; S192-Q194 VanDerWaalsContact O-N 3.14Å; Q194-S196 PolarHBondContact O-N 2.98Å |
| 195 | Y | 49.4 | Very low | 46.5 | Very low | 232 Ų | 232 | 154.4 Ų | 154.4 | 91% | 0.91 | 81% | 0.806 | S | S | * | * | | | trans | -23.2 | 101.2 | 164.5 | -107.1 | -107.1 | 0 | 0 | 0 | 111.8 | | |
| 196 | S | 44.1 | Very low | 47.1 | Very low | 107 Ų | 107 | 158.1 Ų | 158.1 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | | | trans | -107.9 | 97.1 | 167.2 | -162.4 | 0 | 0 | 0 | 0 | 108.8 | Q194 Y198 | Q194-S196 PolarHBondContact O-N 2.98Å; S196-Y198 PolarHBondContact O-N 3.36Å |
| 197 | M | 55.9 | Low | 47.9 | Very low | 162 Ų | 162 | 156.7 Ų | 156.7 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | | | trans | -78.3 | 79.5 | 178.9 | -135 | -84.6 | -160.3 | 0 | 0 | 108.1 | | |
| 198 | Y | 51.7 | Low | 48.7 | Very low | 205 Ų | 205 | 154 Ų | 154 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -147.6 | 122 | 168.1 | -85.9 | -80 | 0 | 0 | 0 | 111.7 | S196 S200 | S196-Y198 PolarHBondContact O-N 3.36Å; Y198-S200 PolarHBondContact O-N 3.38Å |
| 199 | P | 52.7 | Low | 49.7 | Very low | 101 Ų | 101 | 152.6 Ų | 152.6 | 66% | 0.656 | 80% | 0.795 | S | S | * | * | | | trans | -68.4 | 124.7 | 168 | 27.1 | -29.3 | 0 | 0 | 0 | 109.2 | N201 | P199-N201 PolarHBondContact O-N 2.93Š|
| 200 | S | 48.9 | Very low | 50.4 | Low | 113 Ų | 113 | 158.4 Ų | 158.4 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -63.2 | 94.8 | 177.1 | -155.8 | 0 | 0 | 0 | 0 | 110.5 | Y198 R202 | Y198-S200 PolarHBondContact O-N 3.38Å; S200-R202 PolarHBondContact O-N 3.34Å |
| 201 | N | 50.5 | Low | 51.1 | Low | 149 Ų | 149 | 161.5 Ų | 161.5 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | trans | -88.7 | 36.1 | 174.1 | -76.4 | -37.5 | 0 | 0 | 0 | 112.7 | P199 | P199-N201 PolarHBondContact O-N 2.93Š|
| 202 | R | 54.9 | Low | 51.9 | Low | 233 Ų | 233 | 158.6 Ų | 158.6 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | | | trans | -100.3 | 57.2 | 168.5 | -81.8 | -160.4 | -170.8 | -155.2 | 6.3 | 111.5 | S200 | S200-R202 PolarHBondContact O-N 3.34Š|
| 203 | V | 53.1 | Low | 52.4 | Low | 109 Ų | 109 | 160.8 Ų | 160.8 | 66% | 0.661 | 79% | 0.785 | S | S | * | * | | | trans | -132.8 | 102.8 | 148.3 | -173.6 | 0 | 0 | 0 | 0 | 105.9 | R205 | V203-R205 HydrophobicContact CB-CG 4.46Å; V203-R205 HydrophobicContact CG1-CG 3.68Å; V203-R205 PolarHBondContact O-N 3.19Å |
| 204 | K | 56.8 | Low | 52.8 | Low | 216 Ų | 216 | 156.7 Ų | 156.7 | 94% | 0.939 | 77% | 0.769 | S | S | * | * | | | trans | -66.2 | 74.8 | 167.8 | -70.9 | -85.1 | -175.6 | 175.4 | 0 | 107.9 | R206 | K204-R206 PolarHBondContact O-N 2.88Š|
| 205 | R | 57.5 | Low | 53.2 | Low | 214 Ų | 214 | 154.2 Ų | 154.2 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 126.1 | 164.2 | -69.2 | -160.1 | 169.7 | -176.4 | -1.5 | 106.7 | V203 | V203-R205 HydrophobicContact CB-CG 4.46Å; V203-R205 HydrophobicContact CG1-CG 3.68Å; V203-R205 PolarHBondContact O-N 3.19Å |
| 206 | R | 56.2 | Low | 53.5 | Low | 238 Ų | 238 | 151.7 Ų | 151.7 | 90% | 0.898 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 128.3 | 161.3 | -115.6 | -168.7 | -159.6 | 172.4 | 6.2 | 106.9 | K204 A208 | K204-R206 PolarHBondContact O-N 2.88Å; R206-A208 PolarHBondContact O-N 2.85Å; R206-A208 VanDerWaalsContact O-N 3.16Å |
| 207 | P | 54.3 | Low | 54.1 | Low | 123 Ų | 123 | 150.6 Ų | 150.6 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 123.9 | 167.5 | -20.8 | 32.2 | 0 | 0 | 0 | 108.1 | | |
| 208 | A | 52.1 | Low | 54.3 | Low | 68 Ų | 68 | 144.5 Ų | 144.5 | 56% | 0.562 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 149.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | R206 Y210 | R206-A208 PolarHBondContact O-N 2.85Å; R206-A208 VanDerWaalsContact O-N 3.16Å; A208-Y210 PolarHBondContact O-N 2.64Å |
| 209 | P | 60.2 | Low | 54.7 | Low | 144 Ų | 144 | 138 Ų | 138 | 94% | 0.935 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 8.5 | -167 | -10.8 | 27.2 | 0 | 0 | 0 | 115.3 | | |
| 210 | Y | 54.5 | Low | 55.8 | Low | 194 Ų | 194 | 137.1 Ų | 137.1 | 76% | 0.761 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137 | -9.6 | -168.8 | 175.7 | -103.3 | 0 | 0 | 0 | 116.3 | A208 V212 | A208-Y210 PolarHBondContact O-N 2.64Å; Y210-V212 PolarHBondContact O-N 2.86Å |
| 211 | E | 49.1 | Very low | 57.6 | Low | 132 Ų | 132 | 139.7 Ų | 139.7 | 62% | 0.617 | 70% | 0.703 | S | S | * | * | | | trans | -88.5 | 80.9 | 176.1 | -64.1 | -63.8 | 161.6 | 0 | 0 | 109.8 | E213 | E211-E213 PolarHBondContact O-N 3.32Š|
| 212 | V | 59.2 | Low | 59.5 | Low | 112 Ų | 112 | 135.2 Ų | 135.2 | 68% | 0.679 | 68% | 0.678 | S | S | * | * | | | trans | -88.3 | 73 | 158.1 | -168.2 | 0 | 0 | 0 | 0 | 106.4 | Y210 L214 | Y210-V212 PolarHBondContact O-N 2.86Å; V212-L214 HydrophobicContact CG1-CD2 3.52Å; V212-L214 HydrophobicContact CG1-CG 3.86Å; V212-L214 PolarHBondContact O-N 3.12Å |
| 213 | E | 49.3 | Very low | 61.4 | Low | 151 Ų | 151 | 128.3 Ų | 128.3 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | | | trans | -63.6 | 96.6 | 161 | -70.9 | -173.6 | 153.7 | 0 | 0 | 106.3 | E211 D215 | E211-E213 PolarHBondContact O-N 3.32Å; E213-D215 PolarHBondContact O-N 3.01Å |
| 214 | L | 56.4 | Low | 63.4 | Low | 118 Ų | 118 | 132.3 Ų | 132.3 | 62% | 0.618 | 67% | 0.665 | S | S | * | * | | | trans | -72.7 | 78.6 | 173 | -64.2 | 167.4 | 0 | 0 | 0 | 107 | V212 E216 | V212-L214 HydrophobicContact CG1-CD2 3.52Å; V212-L214 HydrophobicContact CG1-CG 3.86Å; V212-L214 PolarHBondContact O-N 3.12Å; L214-E216 PolarHBondContact O-N 3.34Å |
| 215 | D | 49.6 | Very low | 65.2 | Low | 118 Ų | 118 | 129.8 Ų | 129.8 | 63% | 0.631 | 65% | 0.65 | S | S | * | * | | | trans | -56.6 | 114.4 | 160.2 | -69.6 | -16.2 | 0 | 0 | 0 | 106.5 | E213 A217 G218 | E213-D215 PolarHBondContact O-N 3.01Å; D215-A217 PolarHBondContact O-N 3.31Å; D215-G218 PolarHBondContact O-N 3.31Å |
| 216 | E | 56 | Low | 67.1 | Low | 178 Ų | 178 | 124 Ų | 124 | 83% | 0.832 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -15.1 | -176.3 | -167.2 | 137.3 | 115.8 | 0 | 0 | 112.5 | L214 | L214-E216 PolarHBondContact O-N 3.34Š|
| 217 | A | 56.6 | Low | 69 | Low | 84 Ų | 84 | 119 Ų | 119 | 69% | 0.694 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -12 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | D215 | D215-A217 PolarHBondContact O-N 3.31Š|
| 218 | G | 59.8 | Low | 71.1 | Confident | 35 Ų | 35 | 115.9 Ų | 115.9 | 36% | 0.361 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.2 | -21.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D215 K221 | D215-G218 PolarHBondContact O-N 3.31Å; G218-K221 PolarHBondContact O-N 3.33Å |
| 219 | Q | 62.2 | Low | 73.3 | Confident | 67 Ų | 67 | 116.9 Ų | 116.9 | 31% | 0.313 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -57.5 | -42.8 | -179.9 | -58.3 | -49.5 | -40 | 0 | 0 | 115.8 | K221 I222 V223 | Q219-K221 VanDerWaalsContact C-N 3.27Å; Q219-K221 PolarHBondContact O-N 3.16Å; Q219-I222 WeakPolarHBondContact O-CG2 3.48Å; Q219-I222 PolarHBondContact O-N 3.37Å; Q219-V223 VanDerWaalsContact O-CG2 3.31Å; Q219-V223 WeakPolarHBondContact O-CG2 3.3Å; Q219-V223 PolarHBondContact O-N 3.22Å |
| 220 | P | 74.2 | Confident | 75.1 | Confident | 83 Ų | 83 | 113.3 Ų | 113.3 | 54% | 0.539 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.3 | -29.1 | -176.8 | 23.8 | -32.9 | 0 | 0 | 0 | 112.6 | R224 | P220-R224 VanDerWaalsContact O-CB 3.27Å; P220-R224 WeakPolarHBondContact O-CB 3.35Å; P220-R224 PolarHBondContact O-N 3.3Å |
| 221 | K | 86.7 | Confident | 77.2 | Confident | 168 Ų | 168 | 110.2 Ų | 110.2 | 73% | 0.73 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71.6 | -43 | 178.6 | -66.3 | 178.2 | -177.1 | 171.8 | 0 | 111.5 | G218 Q219 R225 | G218-K221 PolarHBondContact O-N 3.33Å; Q219-K221 VanDerWaalsContact C-N 3.27Å; Q219-K221 PolarHBondContact O-N 3.16Å; K221-R225 WeakPolarHBondContact O-CB 3.44Å; K221-R225 PolarHBondContact O-N 3.46Å |
| 222 | I | 92.1 | Very high | 79.6 | Confident | 54 Ų | 54 | 107.8 Ų | 107.8 | 28% | 0.277 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.2 | -43.4 | 177 | -179.7 | 62 | 0 | 0 | 0 | 111.3 | Q219 R224 R225 I226 | Q219-I222 WeakPolarHBondContact O-CG2 3.48Å; Q219-I222 PolarHBondContact O-N 3.37Å; I222-R224 PolarHBondContact O-N 3.41Å; I222-R225 WeakPolarHBondContact O-CB 3.36Å; I222-R225 PolarHBondContact O-N 3.19Å; I222-I226 HydrophobicContact CD1-CD1 4.17Å; I222-I226 HydrophobicContact CD1-CG1 4.26Å; I222-I226 HydrophobicContact CG1-CD1 3.92Å; I222-I226 HydrophobicContact CG1-CG1 4.46Å; I222-I226 VanDerWaalsContact O-CG1 3.3Å; I222-I226 WeakPolarHBondContact O-CG1 3.33Å; I222-I226 PolarHBondContact O-N 3.25Å |
| 223 | V | 93.3 | Very high | 81.5 | Confident | 89 Ų | 89 | 110.1 Ų | 110.1 | 54% | 0.539 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 176.8 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | Q219 R225 I226 F227 | Q219-V223 VanDerWaalsContact O-CG2 3.31Å; Q219-V223 WeakPolarHBondContact O-CG2 3.3Å; Q219-V223 PolarHBondContact O-N 3.22Å; V223-R225 VanDerWaalsContact C-N 3.3Å; V223-R225 PolarHBondContact O-N 3.22Å; V223-I226 PolarHBondContact O-N 2.92Å; V223-F227 WeakPolarHBondContact O-CB 3.48Å; V223-F227 PolarHBondContact O-N 2.8Å |
| 224 | R | 94.9 | Very high | 83.8 | Confident | 193 Ų | 193 | 110.5 Ų | 110.5 | 73% | 0.728 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.6 | -39 | 176.2 | -169.5 | 177.1 | -168.4 | 111.7 | -1 | 112.1 | P220 I222 T228 | P220-R224 VanDerWaalsContact O-CB 3.27Å; P220-R224 WeakPolarHBondContact O-CB 3.35Å; P220-R224 PolarHBondContact O-N 3.3Å; I222-R224 PolarHBondContact O-N 3.41Å; R224-T228 VanDerWaalsContact O-CB 3.28Å; R224-T228 WeakPolarHBondContact O-CB 3.46Å; R224-T228 PolarHBondContact O-N 3.08Å; R224-T228 PolarHBondContact O-OG1 3.35Å |
| 225 | R | 96.3 | Very high | 85.8 | Confident | 163 Ų | 163 | 110.5 Ų | 110.5 | 62% | 0.615 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.9 | -44.9 | 176.1 | -173.1 | 177.3 | 68.5 | 87.7 | -5.5 | 111.4 | K221 I222 V223 T228 N229 | K221-R225 WeakPolarHBondContact O-CB 3.44Å; K221-R225 PolarHBondContact O-N 3.46Å; I222-R225 WeakPolarHBondContact O-CB 3.36Å; I222-R225 PolarHBondContact O-N 3.19Å; V223-R225 VanDerWaalsContact C-N 3.3Å; V223-R225 PolarHBondContact O-N 3.22Å; R225-T228 PolarHBondContact O-N 3.24Å; R225-N229 WeakPolarHBondContact O-CB 3.32Å; R225-N229 PolarHBondContact O-N 3.37Å |
| 226 | I | 96.6 | Very high | 88.2 | Confident | 91 Ų | 91 | 108.4 Ų | 108.4 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -51.4 | 176.7 | -68.1 | 165.8 | 0 | 0 | 0 | 110.1 | I222 V223 T228 N229 S230 | I222-I226 HydrophobicContact CD1-CD1 4.17Å; I222-I226 HydrophobicContact CD1-CG1 4.26Å; I222-I226 HydrophobicContact CG1-CD1 3.92Å; I222-I226 HydrophobicContact CG1-CG1 4.46Å; I222-I226 VanDerWaalsContact O-CG1 3.3Å; I222-I226 WeakPolarHBondContact O-CG1 3.33Å; I222-I226 PolarHBondContact O-N 3.25Å; V223-I226 PolarHBondContact O-N 2.92Å; I226-T228 VanDerWaalsContact C-N 3.3Å; I226-T228 PolarHBondContact O-N 3.15Å; I226-N229 PolarHBondContact O-N 3.34Å; I226-N229 VanDerWaalsContact O-N 3.16Å; I226-S230 PolarHBondContact O-N 2.68Å; I226-S230 PolarHBondContact O-OG 2.95Å |
| 227 | F | 96.8 | Very high | 90.2 | Very high | 135 Ų | 135 | 105.1 Ų | 105.1 | 59% | 0.592 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.7 | -43.1 | 178.3 | 178.5 | -101.2 | 0 | 0 | 0 | 112.3 | V223 S230 R231 | V223-F227 WeakPolarHBondContact O-CB 3.48Å; V223-F227 PolarHBondContact O-N 2.8Å; F227-S230 PolarHBondContact O-N 3.46Å; F227-R231 VanDerWaalsContact CE1-NH1 3.3Å; F227-R231 WeakPolarHBondContact O-CB 3.5Å; F227-R231 PolarHBondContact O-N 2.99Å |
| 228 | T | 97.4 | Very high | 92.2 | Very high | 56 Ų | 56 | 104.9 Ų | 104.9 | 34% | 0.344 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 177.8 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | R224 R225 I226 R231 E232 | R224-T228 VanDerWaalsContact O-CB 3.28Å; R224-T228 WeakPolarHBondContact O-CB 3.46Å; R224-T228 PolarHBondContact O-N 3.08Å; R224-T228 PolarHBondContact O-OG1 3.35Å; R225-T228 PolarHBondContact O-N 3.24Å; I226-T228 VanDerWaalsContact C-N 3.3Å; I226-T228 PolarHBondContact O-N 3.15Å; T228-R231 PolarHBondContact O-N 3.45Å; T228-E232 PolarHBondContact O-N 3.14Å |
| 229 | N | 98.4 | Very high | 94.1 | Very high | 90 Ų | 90 | 105.6 Ų | 105.6 | 48% | 0.481 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 176.2 | -172.2 | -89.1 | 0 | 0 | 0 | 111.9 | R225 I226 R231 E232 R233 | R225-N229 WeakPolarHBondContact O-CB 3.32Å; R225-N229 PolarHBondContact O-N 3.37Å; I226-N229 PolarHBondContact O-N 3.34Å; I226-N229 VanDerWaalsContact O-N 3.16Å; N229-R231 VanDerWaalsContact C-N 3.31Å; N229-R231 PolarHBondContact O-N 2.94Å; N229-E232 PolarHBondContact O-N 3.22Å; N229-R233 WeakPolarHBondContact O-CB 3.48Å; N229-R233 PolarHBondContact O-N 3.46Å |
| 230 | S | 98.5 | Very high | 95.8 | Very high | 69 Ų | 69 | 105.9 Ų | 105.9 | 48% | 0.483 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59 | -43.6 | 175.9 | -63.4 | 0 | 0 | 0 | 0 | 111.5 | I226 F227 R233 W234 | I226-S230 PolarHBondContact O-N 2.68Å; I226-S230 PolarHBondContact O-OG 2.95Å; F227-S230 PolarHBondContact O-N 3.46Å; S230-R233 PolarHBondContact O-N 3.25Å; S230-W234 PolarHBondContact O-N 3.04Å |
| 231 | R | 98.5 | Very high | 97 | Very high | 128 Ų | 128 | 103.7 Ų | 103.7 | 48% | 0.483 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 176.4 | -170.9 | 175.8 | 71 | -106.3 | 2.5 | 112.3 | F227 T228 N229 W234 R235 | F227-R231 VanDerWaalsContact CE1-NH1 3.3Å; F227-R231 WeakPolarHBondContact O-CB 3.5Å; F227-R231 PolarHBondContact O-N 2.99Å; T228-R231 PolarHBondContact O-N 3.45Å; N229-R231 VanDerWaalsContact C-N 3.31Å; N229-R231 PolarHBondContact O-N 2.94Å; R231-W234 PolarHBondContact O-N 3.37Å; R231-R235 PolarHBondContact O-N 3.39Å |
| 232 | E | 98.6 | Very high | 97.6 | Very high | 82 Ų | 82 | 98.7 Ų | 98.7 | 38% | 0.383 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.1 | -39 | 178.2 | 178.4 | 53.9 | -157.9 | 0 | 0 | 111.8 | T228 N229 W234 R235 Q236 | T228-E232 PolarHBondContact O-N 3.14Å; N229-E232 PolarHBondContact O-N 3.22Å; E232-W234 VanDerWaalsContact C-N 3.31Å; E232-W234 PolarHBondContact O-N 3.22Å; E232-R235 WeakPolarHBondContact O-CB 3.41Å; E232-R235 PolarHBondContact O-N 3.38Å; E232-R235 IonicContact OE1-CZ 3.43Å; E232-R235 IonicContact OE1-NE 3.29Å; E232-R235 PolarHBondContact OE1-NE 2.83Å; E232-R235 IonicContact OE1-NH2 2.74Å; E232-R235 PolarHBondContact OE1-NH2 3.37Å; E232-R235 IonicContact OE2-CZ 3.76Å; E232-R235 IonicContact OE2-NE 2.86Å; E232-R235 PolarHBondContact OE2-NE 3.03Å; E232-R235 IonicContact OE2-NH2 3.77Å; E232-Q236 HydrophobicContact CG-CG 4.5Å; E232-Q236 VanDerWaalsContact O-CG 3.32Å; E232-Q236 WeakPolarHBondContact O-CG 3.31Å; E232-Q236 PolarHBondContact O-N 2.97Å; E232-Q236 VanDerWaalsContact OE1-CG 3.31Å; E232-Q236 WeakPolarHBondContact OE1-CG 3.3Å |
| 233 | R | 98.8 | Very high | 97.9 | Very high | 161 Ų | 161 | 98.2 Ų | 98.2 | 61% | 0.608 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58.9 | -44.6 | 172.9 | -176.7 | -175.3 | -70.2 | -126.6 | 0.5 | 111.1 | N229 S230 Q236 Q237 | N229-R233 WeakPolarHBondContact O-CB 3.48Å; N229-R233 PolarHBondContact O-N 3.46Å; S230-R233 PolarHBondContact O-N 3.25Å; R233-Q236 PolarHBondContact O-N 2.92Å; R233-Q237 WeakPolarHBondContact O-CG 3.38Å; R233-Q237 PolarHBondContact O-N 3.45Å |
| 234 | W | 98.7 | Very high | 98.1 | Very high | 159 Ų | 159 | 96.4 Ų | 96.4 | 60% | 0.602 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.5 | -43.5 | 176.7 | -175.3 | 78.1 | 0 | 0 | 0 | 112 | S230 R231 E232 Q236 Q237 N238 | S230-W234 PolarHBondContact O-N 3.04Å; R231-W234 PolarHBondContact O-N 3.37Å; E232-W234 VanDerWaalsContact C-N 3.31Å; E232-W234 PolarHBondContact O-N 3.22Å; W234-Q236 VanDerWaalsContact C-N 3.3Å; W234-Q236 PolarHBondContact O-N 3.24Å; W234-Q237 WeakPolarHBondContact O-CB 3.29Å; W234-Q237 PolarHBondContact O-N 3.05Å; W234-Q237 VanDerWaalsContact O-N 3.16Å; W234-N238 WeakPolarHBondContact CH2-ND2 3.33Å; W234-N238 VanDerWaalsContact CZ2-ND2 3.31Å; W234-N238 WeakPolarHBondContact CZ2-ND2 3.42Å; W234-N238 WeakPolarHBondContact CZ3-ND2 3.27Å; W234-N238 PolarHBondContact O-N 2.84Å |
| 235 | R | 98.8 | Very high | 98.3 | Very high | 118 Ų | 118 | 92.2 Ų | 92.2 | 45% | 0.445 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -56.8 | -44.8 | 174 | -163.9 | -168.5 | 70.2 | 73.7 | 4.7 | 111.6 | R231 E232 N238 V239 | R231-R235 PolarHBondContact O-N 3.39Å; E232-R235 WeakPolarHBondContact O-CB 3.41Å; E232-R235 PolarHBondContact O-N 3.38Å; E232-R235 IonicContact OE1-CZ 3.43Å; E232-R235 IonicContact OE1-NE 3.29Å; E232-R235 PolarHBondContact OE1-NE 2.83Å; E232-R235 IonicContact OE1-NH2 2.74Å; E232-R235 PolarHBondContact OE1-NH2 3.37Å; E232-R235 IonicContact OE2-CZ 3.76Å; E232-R235 IonicContact OE2-NE 2.86Å; E232-R235 PolarHBondContact OE2-NE 3.03Å; E232-R235 IonicContact OE2-NH2 3.77Å; R235-N238 PolarHBondContact O-N 2.83Å; R235-V239 PolarHBondContact O-N 3.31Å; R235-V239 VanDerWaalsContact O-N 3.16Å |
| 236 | Q | 98.9 | Very high | 98.4 | Very high | 73 Ų | 73 | 87.3 Ų | 87.3 | 34% | 0.341 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.1 | -32.3 | 178.6 | -67.4 | -69.6 | 82.8 | 0 | 0 | 112.9 | E232 R233 W234 V239 N240 | E232-Q236 HydrophobicContact CG-CG 4.5Å; E232-Q236 VanDerWaalsContact O-CG 3.32Å; E232-Q236 WeakPolarHBondContact O-CG 3.31Å; E232-Q236 PolarHBondContact O-N 2.97Å; E232-Q236 VanDerWaalsContact OE1-CG 3.31Å; E232-Q236 WeakPolarHBondContact OE1-CG 3.3Å; R233-Q236 PolarHBondContact O-N 2.92Å; W234-Q236 VanDerWaalsContact C-N 3.3Å; W234-Q236 PolarHBondContact O-N 3.24Å; Q236-V239 PolarHBondContact O-N 3.31Å; Q236-N240 WeakPolarHBondContact O-CB 3.25Å; Q236-N240 PolarHBondContact O-N 3.04Å; Q236-N240 PolarHBondContact O-ND2 3.41Å |
| 237 | Q | 98.7 | Very high | 98.5 | Very high | 110 Ų | 110 | 84.8 Ų | 84.8 | 51% | 0.514 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 171.3 | -76.8 | 174.9 | -10.6 | 0 | 0 | 111.2 | R233 W234 V239 N240 G241 | R233-Q237 WeakPolarHBondContact O-CG 3.38Å; R233-Q237 PolarHBondContact O-N 3.45Å; W234-Q237 WeakPolarHBondContact O-CB 3.29Å; W234-Q237 PolarHBondContact O-N 3.05Å; W234-Q237 VanDerWaalsContact O-N 3.16Å; Q237-V239 PolarHBondContact O-N 3.13Å; Q237-N240 PolarHBondContact O-N 3.33Å; Q237-G241 PolarHBondContact O-N 3.16Å |
| 238 | N | 98.8 | Very high | 98.6 | Very high | 78 Ų | 78 | 85.1 Ų | 85.1 | 42% | 0.417 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 175.6 | -69.1 | -22.8 | 0 | 0 | 0 | 111.9 | W234 R235 N240 G241 A242 | W234-N238 WeakPolarHBondContact CH2-ND2 3.33Å; W234-N238 VanDerWaalsContact CZ2-ND2 3.31Å; W234-N238 WeakPolarHBondContact CZ2-ND2 3.42Å; W234-N238 WeakPolarHBondContact CZ3-ND2 3.27Å; W234-N238 PolarHBondContact O-N 2.84Å; R235-N238 PolarHBondContact O-N 2.83Å; N238-N240 PolarHBondContact O-N 3.35Å; N238-G241 PolarHBondContact O-N 3.11Å; N238-A242 PolarHBondContact O-N 3.48Å |
| 239 | V | 98.8 | Very high | 98.7 | Very high | 50 Ų | 50 | 88.2 Ų | 88.2 | 30% | 0.303 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 175.4 | 174.1 | 0 | 0 | 0 | 0 | 111 | R235 Q236 Q237 G241 A242 F243 | R235-V239 PolarHBondContact O-N 3.31Å; R235-V239 VanDerWaalsContact O-N 3.16Å; Q236-V239 PolarHBondContact O-N 3.31Å; Q237-V239 PolarHBondContact O-N 3.13Å; V239-G241 VanDerWaalsContact C-N 3.28Å; V239-G241 PolarHBondContact O-N 3.4Å; V239-A242 PolarHBondContact O-N 3.22Å; V239-F243 HydrophobicContact CG1-CD2 3.98Å; V239-F243 HydrophobicContact CG1-CE2 4.07Å; V239-F243 WeakPolarHBondContact O-CD2 3.32Å; V239-F243 PolarHBondContact O-N 2.95Å |
| 240 | N | 98.6 | Very high | 98.7 | Very high | 74 Ų | 74 | 84.3 Ų | 84.3 | 40% | 0.396 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64 | -34.8 | 177.6 | -69.4 | -18.8 | 0 | 0 | 0 | 112.1 | Q236 Q237 N238 F243 A244 K261 | Q236-N240 WeakPolarHBondContact O-CB 3.25Å; Q236-N240 PolarHBondContact O-N 3.04Å; Q236-N240 PolarHBondContact O-ND2 3.41Å; Q237-N240 PolarHBondContact O-N 3.33Å; N238-N240 PolarHBondContact O-N 3.35Å; N240-F243 PolarHBondContact O-N 3.35Å; N240-A244 PolarHBondContact O-N 3.16Å; N240-K261 WeakPolarHBondContact OD1-CE 3.37Å; N240-K261 PolarHBondContact OD1-NZ 3.01Å |
| 241 | G | 98.8 | Very high | 98.7 | Very high | 36 Ų | 36 | 84.8 Ų | 84.8 | 37% | 0.371 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q237 N238 V239 F243 A244 E245 | Q237-G241 PolarHBondContact O-N 3.16Å; N238-G241 PolarHBondContact O-N 3.11Å; V239-G241 VanDerWaalsContact C-N 3.28Å; V239-G241 PolarHBondContact O-N 3.4Å; G241-F243 VanDerWaalsContact C-N 3.32Å; G241-F243 PolarHBondContact O-N 3.48Å; G241-A244 WeakPolarHBondContact O-CB 3.31Å; G241-A244 PolarHBondContact O-N 3.42Å; G241-E245 PolarHBondContact O-N 3.17Å |
| 242 | A | 98.8 | Very high | 98.7 | Very high | 64 Ų | 64 | 80.3 Ų | 80.3 | 53% | 0.529 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.1 | -38.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N238 V239 A244 E245 L246 | N238-A242 PolarHBondContact O-N 3.48Å; V239-A242 PolarHBondContact O-N 3.22Å; A242-A244 VanDerWaalsContact C-N 3.31Å; A242-A244 PolarHBondContact O-N 2.87Å; A242-E245 PolarHBondContact O-N 2.81Å; A242-L246 WeakPolarHBondContact O-CB 3.35Å; A242-L246 PolarHBondContact O-N 3.37Å |
| 243 | F | 98.8 | Very high | 98.6 | Very high | 44 Ų | 44 | 84.9 Ų | 84.9 | 19% | 0.193 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.1 | -36.7 | 172.6 | -96 | -84.7 | 0 | 0 | 0 | 112.7 | V239 N240 G241 R247 K261 I264 L265 | V239-F243 HydrophobicContact CG1-CD2 3.98Å; V239-F243 HydrophobicContact CG1-CE2 4.07Å; V239-F243 WeakPolarHBondContact O-CD2 3.32Å; V239-F243 PolarHBondContact O-N 2.95Å; N240-F243 PolarHBondContact O-N 3.35Å; G241-F243 VanDerWaalsContact C-N 3.32Å; G241-F243 PolarHBondContact O-N 3.48Å; F243-R247 WeakPolarHBondContact O-CB 3.38Å; F243-R247 PolarHBondContact O-N 3.25Å; F243-K261 HydrophobicContact CD1-CB 4.22Å; F243-K261 HydrophobicContact CD1-CG 4.05Å; F243-K261 HydrophobicContact CE1-CB 3.72Å; F243-K261 HydrophobicContact CE1-CG 3.98Å; F243-K261 WeakPolarHBondContact CE1-O 3.44Å; F243-K261 HydrophobicContact CE2-CD 4.47Å; F243-K261 HydrophobicContact CG-CG 4.48Å; F243-K261 HydrophobicContact CZ-CB 4.13Å; F243-K261 HydrophobicContact CZ-CD 4.39Å; F243-K261 HydrophobicContact CZ-CG 4.34Å; F243-I264 HydrophobicContact CD1-CB 4.32Å; F243-I264 HydrophobicContact CD1-CD1 4.11Å; F243-I264 HydrophobicContact CD1-CG2 3.96Å; F243-I264 HydrophobicContact CE1-CB 4.46Å; F243-I264 HydrophobicContact CE1-CG2 4.27Å; F243-L265 HydrophobicContact CE1-CD2 4.06Å; F243-L265 HydrophobicContact CE1-CG 4.05Å; F243-L265 HydrophobicContact CZ-CD1 4.31Å; F243-L265 HydrophobicContact CZ-CD2 4.05Å; F243-L265 HydrophobicContact CZ-CG 4.2Å |
| 244 | A | 98.6 | Very high | 98.5 | Very high | 50 Ų | 50 | 80.2 Ų | 80.2 | 41% | 0.413 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69.3 | -41.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N240 G241 A242 R247 K248 | N240-A244 PolarHBondContact O-N 3.16Å; G241-A244 WeakPolarHBondContact O-CB 3.31Å; G241-A244 PolarHBondContact O-N 3.42Å; A242-A244 VanDerWaalsContact C-N 3.31Å; A242-A244 PolarHBondContact O-N 2.87Å; A244-R247 WeakPolarHBondContact O-CB 3.17Å; A244-R247 PolarHBondContact O-N 2.91Å; A244-K248 WeakPolarHBondContact O-CG 3.45Å; A244-K248 PolarHBondContact O-N 3.46Å |
| 245 | E | 98.8 | Very high | 98.4 | Very high | 106 Ų | 106 | 77.6 Ų | 77.6 | 50% | 0.495 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 174 | -65.4 | -49.7 | 132.5 | 0 | 0 | 111.6 | G241 A242 R247 K248 | G241-E245 PolarHBondContact O-N 3.17Å; A242-E245 PolarHBondContact O-N 2.81Å; E245-R247 VanDerWaalsContact C-N 3.28Å; E245-R247 PolarHBondContact O-N 3.01Å; E245-K248 WeakPolarHBondContact O-CB 3.24Å; E245-K248 PolarHBondContact O-N 3.27Å; E245-K248 VanDerWaalsContact O-N 3.12Å; E245-K248 IonicContact OE1-NZ 2.64Å; E245-K248 PolarHBondContact OE1-NZ 3.22Å; E245-K248 IonicContact OE2-NZ 2.86Å; E245-K248 PolarHBondContact OE2-NZ 2.95Å |
| 246 | L | 98.8 | Very high | 98.2 | Very high | 60 Ų | 60 | 77.5 Ų | 77.5 | 31% | 0.314 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.5 | -40.9 | 175.4 | -179 | 58.9 | 0 | 0 | 0 | 111.7 | A242 K248 L249 I250 I264 A268 | A242-L246 WeakPolarHBondContact O-CB 3.35Å; A242-L246 PolarHBondContact O-N 3.37Å; L246-K248 VanDerWaalsContact C-N 3.27Å; L246-K248 PolarHBondContact O-N 2.69Å; L246-L249 PolarHBondContact O-N 3.19Å; L246-L249 VanDerWaalsContact O-N 3.16Å; L246-I250 HydrophobicContact CG-CD1 4.47Å; L246-I264 HydrophobicContact CB-CG2 4.37Å; L246-I264 HydrophobicContact CD2-CG2 3.66Å; L246-I264 HydrophobicContact CG-CG2 3.84Å; L246-A268 HydrophobicContact CD1-CB 4.1Å; L246-A268 HydrophobicContact CD2-CB 4.27Å; L246-A268 HydrophobicContact CG-CB 4.46Å |
| 247 | R | 98.6 | Very high | 98.2 | Very high | 38 Ų | 38 | 78.3 Ų | 78.3 | 14% | 0.143 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -58.5 | -36.7 | 177.5 | 172.1 | 61.1 | -171.3 | 88.8 | -2.9 | 112.6 | F243 A244 E245 L249 I250 T252 P255 K257 I264 | F243-R247 WeakPolarHBondContact O-CB 3.38Å; F243-R247 PolarHBondContact O-N 3.25Å; A244-R247 WeakPolarHBondContact O-CB 3.17Å; A244-R247 PolarHBondContact O-N 2.91Å; E245-R247 VanDerWaalsContact C-N 3.28Å; E245-R247 PolarHBondContact O-N 3.01Å; R247-L249 PolarHBondContact O-N 2.79Å; R247-I250 PolarHBondContact NH1-O 3.42Å; R247-I250 PolarHBondContact O-N 3.26Å; R247-T252 PolarHBondContact NH2-OG1 3.47Å; R247-P255 PolarHBondContact NH2-O 3.27Å; R247-K257 PolarHBondContact NE-O 3.26Å; R247-K257 PolarHBondContact NH2-O 3.24Å; R247-I264 HydrophobicContact CB-CD1 4.02Å; R247-I264 HydrophobicContact CB-CG1 4.42Å; R247-I264 HydrophobicContact CG-CD1 4.48Å |
| 248 | K | 98.4 | Very high | 98.1 | Very high | 141 Ų | 141 | 82.1 Ų | 82.1 | 61% | 0.613 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -65.5 | -28.4 | -179.4 | -65.6 | 172.5 | -167.8 | 168.8 | 0 | 112.6 | A244 E245 L246 | A244-K248 WeakPolarHBondContact O-CG 3.45Å; A244-K248 PolarHBondContact O-N 3.46Å; E245-K248 WeakPolarHBondContact O-CB 3.24Å; E245-K248 PolarHBondContact O-N 3.27Å; E245-K248 VanDerWaalsContact O-N 3.12Å; E245-K248 IonicContact OE1-NZ 2.64Å; E245-K248 PolarHBondContact OE1-NZ 3.22Å; E245-K248 IonicContact OE2-NZ 2.86Å; E245-K248 PolarHBondContact OE2-NZ 2.95Å; L246-K248 VanDerWaalsContact C-N 3.27Å; L246-K248 PolarHBondContact O-N 2.69Å |
| 249 | L | 98.6 | Very high | 98.1 | Very high | 122 Ų | 122 | 79.6 Ų | 79.6 | 64% | 0.639 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -83.5 | -15 | -179.1 | -57.4 | 177.5 | 0 | 0 | 0 | 113.1 | L246 R247 P251 Y271 | L246-L249 PolarHBondContact O-N 3.19Å; L246-L249 VanDerWaalsContact O-N 3.16Å; R247-L249 PolarHBondContact O-N 2.79Å; L249-P251 VanDerWaalsContact O-CD 3.31Å; L249-P251 WeakPolarHBondContact O-CD 3.44Å; L249-Y271 WeakPolarHBondContact O-CE1 3.33Å |
| 250 | I | 98.6 | Very high | 98.1 | Very high | 8 Ų | 8 | 80 Ų | 80 | 4% | 0.041 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -84.1 | 117.9 | -178.4 | -64.7 | 171.7 | 0 | 0 | 0 | 109.7 | L246 R247 T252 L259 I264 L267 A268 | L246-I250 HydrophobicContact CG-CD1 4.47Å; R247-I250 PolarHBondContact NH1-O 3.42Å; R247-I250 PolarHBondContact O-N 3.26Å; I250-T252 HydrophobicContact CG2-CG2 4.12Å; I250-T252 PolarHBondContact O-N 3.01Å; I250-L259 HydrophobicContact CG2-CD1 4.29Å; I250-I264 HydrophobicContact CD1-CB 4.17Å; I250-I264 HydrophobicContact CD1-CG1 4.46Å; I250-I264 HydrophobicContact CD1-CG2 3.72Å; I250-I264 VanDerWaalsContact CD1-O 3.25Å; I250-I264 WeakPolarHBondContact CD1-O 3.26Å; I250-L267 HydrophobicContact CD1-CB 4.22Å; I250-L267 HydrophobicContact CG2-CB 3.67Å; I250-L267 HydrophobicContact CG2-CD1 4.1Å; I250-L267 HydrophobicContact CG2-CG 4.44Å; I250-A268 HydrophobicContact CD1-CB 4.25Å |
| 251 | P | 98.4 | Very high | 98.1 | Very high | 79 Ų | 79 | 81.5 Ų | 81.5 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | | | trans | -67.8 | 127.2 | 175.9 | -18.5 | 32.9 | 0 | 0 | 0 | 111.3 | L249 Y271 | L249-P251 VanDerWaalsContact O-CD 3.31Å; L249-P251 WeakPolarHBondContact O-CD 3.44Å; P251-Y271 HydrophobicContact CG-CD1 4.44Å; P251-Y271 HydrophobicContact CG-CD2 3.98Å; P251-Y271 HydrophobicContact CG-CE1 4.01Å; P251-Y271 HydrophobicContact CG-CE2 3.54Å; P251-Y271 HydrophobicContact CG-CG 4.42Å |
| 252 | T | 98.2 | Very high | 98.1 | Very high | 33 Ų | 33 | 83.4 Ų | 83.4 | 20% | 0.202 | 44% | 0.44 | C | S | . | . | | | trans | -140.6 | 154.9 | 175.6 | 61.6 | 0 | 0 | 0 | 0 | 111.7 | R247 I250 P254 P255 L259 | R247-T252 PolarHBondContact NH2-OG1 3.47Å; I250-T252 HydrophobicContact CG2-CG2 4.12Å; I250-T252 PolarHBondContact O-N 3.01Å; T252-P254 CarbonylContact C-O 3.39Å; T252-P254 CarbonylContact O-C 3.29Å; T252-P254 VanDerWaalsContact O-C 3.29Å; T252-P254 PolarHBondContact OG1-O 3.42Å; T252-P255 WeakPolarHBondContact O-CA 3.37Å; T252-P255 PolarHBondContact OG1-O 2.96Å; T252-L259 HydrophobicContact CG2-CD1 3.96Å |
| 253 | H | 97.3 | Very high | 98.1 | Very high | 179 Ų | 179 | 84 Ų | 84 | 83% | 0.829 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -118.1 | 119.5 | 167.4 | -168.9 | 69.3 | 0 | 0 | 0 | 109.5 | | |
| 254 | P | 97.1 | Very high | 98.1 | Very high | 63 Ų | 63 | 82.4 Ų | 82.4 | 41% | 0.409 | 43% | 0.426 | S | S | . | . | S | Bend | cis | -68.2 | 163 | -8.5 | 33.5 | -38.1 | 0 | 0 | 0 | 112.4 | T252 D256 K257 | T252-P254 CarbonylContact C-O 3.39Å; T252-P254 CarbonylContact O-C 3.29Å; T252-P254 VanDerWaalsContact O-C 3.29Å; T252-P254 PolarHBondContact OG1-O 3.42Å; P254-D256 WeakPolarHBondContact CB-OD1 3.48Å; P254-D256 PolarHBondContact O-N 2.95Å; P254-K257 HydrophobicContact CG-CB 4.4Å; P254-K257 WeakPolarHBondContact O-CB 3.48Å; P254-K257 PolarHBondContact O-N 3.39Å |
| 255 | P | 96.1 | Very high | 98.1 | Very high | 104 Ų | 104 | 83.9 Ų | 83.9 | 68% | 0.675 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -28.3 | -175.7 | 24.1 | -34.1 | 0 | 0 | 0 | 113.3 | R247 T252 | R247-P255 PolarHBondContact NH2-O 3.27Å; T252-P255 WeakPolarHBondContact O-CA 3.37Å; T252-P255 PolarHBondContact OG1-O 2.96Å |
| 256 | D | 95.1 | Very high | 98.1 | Very high | 115 Ų | 115 | 85.9 Ų | 85.9 | 62% | 0.615 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 9.4 | -179.2 | 66.6 | -34.1 | 0 | 0 | 0 | 114.1 | P254 K258 | P254-D256 WeakPolarHBondContact CB-OD1 3.48Å; P254-D256 PolarHBondContact O-N 2.95Å; D256-K258 PolarHBondContact O-N 3.43Å |
| 257 | K | 97.9 | Very high | 98.1 | Very high | 90 Ų | 90 | 85.7 Ų | 85.7 | 39% | 0.391 | 43% | 0.428 | S | S | . | . | | | trans | -47.9 | 125.1 | 176.7 | 179.8 | 179.1 | 176.3 | -176.3 | 0 | 111.2 | R247 P254 L259 | R247-K257 PolarHBondContact NE-O 3.26Å; R247-K257 PolarHBondContact NH2-O 3.24Å; P254-K257 HydrophobicContact CG-CB 4.4Å; P254-K257 WeakPolarHBondContact O-CB 3.48Å; P254-K257 PolarHBondContact O-N 3.39Å; K257-L259 HydrophobicContact CD-CD2 3.85Å; K257-L259 HydrophobicContact CG-CD2 4.02Å; K257-L259 PolarHBondContact O-N 3Å |
| 258 | K | 97.9 | Very high | 98.1 | Very high | 190 Ų | 190 | 84.5 Ų | 84.5 | 83% | 0.826 | 43% | 0.426 | S | S | * | . | | | trans | -71.1 | 124.2 | 173.5 | -57.1 | -56.1 | -178 | -172.1 | 0 | 109 | D256 | D256-K258 PolarHBondContact O-N 3.43Š|
| 259 | L | 98.1 | Very high | 98.1 | Very high | 25 Ų | 25 | 83.4 Ų | 83.4 | 13% | 0.131 | 43% | 0.425 | C | S | . | . | | | trans | -114.2 | 139.4 | 177.1 | -62.9 | -176.6 | 0 | 0 | 0 | 109.5 | I250 T252 K257 E263 I264 L267 | I250-L259 HydrophobicContact CG2-CD1 4.29Å; T252-L259 HydrophobicContact CG2-CD1 3.96Å; K257-L259 HydrophobicContact CD-CD2 3.85Å; K257-L259 HydrophobicContact CG-CD2 4.02Å; K257-L259 PolarHBondContact O-N 3Å; L259-E263 HydrophobicContact CB-CB 4.33Å; L259-E263 HydrophobicContact CD2-CB 4.43Å; L259-I264 HydrophobicContact CB-CD1 4.32Å; L259-I264 HydrophobicContact CB-CG1 3.72Å; L259-I264 HydrophobicContact CD1-CG1 4.17Å; L259-L267 HydrophobicContact CD1-CD1 3.59Å; L259-L267 HydrophobicContact CD2-CD1 4.06Å; L259-L267 HydrophobicContact CG-CD1 4.5Å |
| 260 | S | 98.6 | Very high | 98.1 | Very high | 59 Ų | 59 | 84.5 Ų | 84.5 | 41% | 0.413 | 42% | 0.424 | S | S | . | . | | | trans | -69 | 160.5 | 168.1 | 68.3 | 0 | 0 | 0 | 0 | 111.2 | N262 E263 I264 | S260-N262 PolarHBondContact O-N 3.29Å; S260-E263 VanDerWaalsContact CB-OE2 3.25Å; S260-E263 WeakPolarHBondContact CB-OE2 3.42Å; S260-E263 PolarHBondContact N-OE2 3.42Å; S260-E263 PolarHBondContact O-N 2.92Å; S260-E263 WeakPolarHBondContact OG-CB 3.36Å; S260-E263 VanDerWaalsContact OG-CG 3.26Å; S260-E263 WeakPolarHBondContact OG-CG 3.49Å; S260-E263 PolarHBondContact OG-N 3.25Å; S260-E263 PolarHBondContact OG-OE2 2.87Å; S260-I264 WeakPolarHBondContact O-CG1 3.48Å; S260-I264 PolarHBondContact O-N 3.28Å |
| 261 | K | 98.7 | Very high | 98.1 | Very high | 106 Ų | 106 | 88 Ų | 88 | 46% | 0.461 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -54.5 | -40.8 | 176.1 | -70 | -173.7 | 175.1 | -173 | 0 | 112 | N240 F243 I264 L265 | N240-K261 WeakPolarHBondContact OD1-CE 3.37Å; N240-K261 PolarHBondContact OD1-NZ 3.01Å; F243-K261 HydrophobicContact CD1-CB 4.22Å; F243-K261 HydrophobicContact CD1-CG 4.05Å; F243-K261 HydrophobicContact CE1-CB 3.72Å; F243-K261 HydrophobicContact CE1-CG 3.98Å; F243-K261 WeakPolarHBondContact CE1-O 3.44Å; F243-K261 HydrophobicContact CE2-CD 4.47Å; F243-K261 HydrophobicContact CG-CG 4.48Å; F243-K261 HydrophobicContact CZ-CB 4.13Å; F243-K261 HydrophobicContact CZ-CD 4.39Å; F243-K261 HydrophobicContact CZ-CG 4.34Å; K261-I264 PolarHBondContact O-N 2.74Å; K261-L265 WeakPolarHBondContact O-CG 3.25Å; K261-L265 PolarHBondContact O-N 2.86Å; K261-L265 VanDerWaalsContact O-N 3.17Å |
| 262 | N | 98.8 | Very high | 98.2 | Very high | 75 Ų | 75 | 89.5 Ų | 89.5 | 40% | 0.401 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -70.3 | -41.5 | -179 | -175.5 | -79.9 | 0 | 0 | 0 | 112.1 | S260 I264 L265 R266 | S260-N262 PolarHBondContact O-N 3.29Å; N262-I264 VanDerWaalsContact C-N 3.33Å; N262-I264 PolarHBondContact O-N 3.19Å; N262-L265 PolarHBondContact O-N 3.14Å; N262-R266 PolarHBondContact O-N 3.33Å; N262-R266 WeakPolarHBondContact OD1-CD 3.46Å; N262-R266 PolarHBondContact OD1-NE 2.94Å; N262-R266 PolarHBondContact OD1-NH1 2.67Å |
| 263 | E | 98.6 | Very high | 98.2 | Very high | 76 Ų | 76 | 91.1 Ų | 91.1 | 36% | 0.355 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 173.8 | -72.5 | 166.6 | 117.9 | 0 | 0 | 112 | L259 S260 L265 R266 L267 | L259-E263 HydrophobicContact CB-CB 4.33Å; L259-E263 HydrophobicContact CD2-CB 4.43Å; S260-E263 VanDerWaalsContact CB-OE2 3.25Å; S260-E263 WeakPolarHBondContact CB-OE2 3.42Å; S260-E263 PolarHBondContact N-OE2 3.42Å; S260-E263 PolarHBondContact O-N 2.92Å; S260-E263 WeakPolarHBondContact OG-CB 3.36Å; S260-E263 VanDerWaalsContact OG-CG 3.26Å; S260-E263 WeakPolarHBondContact OG-CG 3.49Å; S260-E263 PolarHBondContact OG-N 3.25Å; S260-E263 PolarHBondContact OG-OE2 2.87Å; E263-L265 VanDerWaalsContact C-N 3.31Å; E263-L265 PolarHBondContact O-N 3.06Å; E263-R266 PolarHBondContact O-N 3.38Å; E263-L267 WeakPolarHBondContact O-CB 3.46Å; E263-L267 WeakPolarHBondContact O-CG 3.32Å; E263-L267 PolarHBondContact O-N 3.46Å |
| 264 | I | 98.8 | Very high | 98.2 | Very high | 11 Ų | 11 | 88.4 Ų | 88.4 | 6% | 0.056 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -55.2 | -48.5 | 174.8 | -70.6 | 167.3 | 0 | 0 | 0 | 110.2 | F243 L246 R247 I250 L259 S260 K261 N262 A268 | F243-I264 HydrophobicContact CD1-CB 4.32Å; F243-I264 HydrophobicContact CD1-CD1 4.11Å; F243-I264 HydrophobicContact CD1-CG2 3.96Å; F243-I264 HydrophobicContact CE1-CB 4.46Å; F243-I264 HydrophobicContact CE1-CG2 4.27Å; L246-I264 HydrophobicContact CB-CG2 4.37Å; L246-I264 HydrophobicContact CD2-CG2 3.66Å; L246-I264 HydrophobicContact CG-CG2 3.84Å; R247-I264 HydrophobicContact CB-CD1 4.02Å; R247-I264 HydrophobicContact CB-CG1 4.42Å; R247-I264 HydrophobicContact CG-CD1 4.48Å; I250-I264 HydrophobicContact CD1-CB 4.17Å; I250-I264 HydrophobicContact CD1-CG1 4.46Å; I250-I264 HydrophobicContact CD1-CG2 3.72Å; I250-I264 VanDerWaalsContact CD1-O 3.25Å; I250-I264 WeakPolarHBondContact CD1-O 3.26Å; L259-I264 HydrophobicContact CB-CD1 4.32Å; L259-I264 HydrophobicContact CB-CG1 3.72Å; L259-I264 HydrophobicContact CD1-CG1 4.17Å; S260-I264 WeakPolarHBondContact O-CG1 3.48Å; S260-I264 PolarHBondContact O-N 3.28Å; K261-I264 PolarHBondContact O-N 2.74Å; N262-I264 VanDerWaalsContact C-N 3.33Å; N262-I264 PolarHBondContact O-N 3.19Å; I264-A268 VanDerWaalsContact O-CB 3.27Å; I264-A268 WeakPolarHBondContact O-CB 3.49Å; I264-A268 PolarHBondContact O-N 2.91Å |
| 265 | L | 98.9 | Very high | 98.3 | Very high | 82 Ų | 82 | 88.4 Ų | 88.4 | 43% | 0.429 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 179.3 | -65.2 | 175.1 | 0 | 0 | 0 | 112 | F243 K261 N262 E263 A268 M269 | F243-L265 HydrophobicContact CE1-CD2 4.06Å; F243-L265 HydrophobicContact CE1-CG 4.05Å; F243-L265 HydrophobicContact CZ-CD1 4.31Å; F243-L265 HydrophobicContact CZ-CD2 4.05Å; F243-L265 HydrophobicContact CZ-CG 4.2Å; K261-L265 WeakPolarHBondContact O-CG 3.25Å; K261-L265 PolarHBondContact O-N 2.86Å; K261-L265 VanDerWaalsContact O-N 3.17Å; N262-L265 PolarHBondContact O-N 3.14Å; E263-L265 VanDerWaalsContact C-N 3.31Å; E263-L265 PolarHBondContact O-N 3.06Å; L265-A268 PolarHBondContact O-N 3.16Å; L265-M269 WeakPolarHBondContact O-CG 3.44Å; L265-M269 PolarHBondContact O-N 2.87Å; L265-M269 VanDerWaalsContact O-N 3.14Å |
| 266 | R | 98.8 | Very high | 98.4 | Very high | 148 Ų | 148 | 85.9 Ų | 85.9 | 56% | 0.558 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.5 | -42.7 | -179.7 | -71.9 | -179.2 | 176 | 144.1 | -0.8 | 112.6 | N262 E263 M269 K270 | N262-R266 PolarHBondContact O-N 3.33Å; N262-R266 WeakPolarHBondContact OD1-CD 3.46Å; N262-R266 PolarHBondContact OD1-NE 2.94Å; N262-R266 PolarHBondContact OD1-NH1 2.67Å; E263-R266 PolarHBondContact O-N 3.38Å; R266-M269 HydrophobicContact CG-CE 4.28Å; R266-K270 WeakPolarHBondContact O-CG 3.28Å; R266-K270 PolarHBondContact O-N 3.43Å; R266-K270 VanDerWaalsContact O-N 3.11Å |
| 267 | L | 98.8 | Very high | 98.5 | Very high | 55 Ų | 55 | 84.7 Ų | 84.7 | 29% | 0.288 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70.1 | -36.2 | 178.8 | -73.4 | 168.2 | 0 | 0 | 0 | 111.7 | I250 L259 E263 K270 Y271 | I250-L267 HydrophobicContact CD1-CB 4.22Å; I250-L267 HydrophobicContact CG2-CB 3.67Å; I250-L267 HydrophobicContact CG2-CD1 4.1Å; I250-L267 HydrophobicContact CG2-CG 4.44Å; L259-L267 HydrophobicContact CD1-CD1 3.59Å; L259-L267 HydrophobicContact CD2-CD1 4.06Å; L259-L267 HydrophobicContact CG-CD1 4.5Å; E263-L267 WeakPolarHBondContact O-CB 3.46Å; E263-L267 WeakPolarHBondContact O-CG 3.32Å; E263-L267 PolarHBondContact O-N 3.46Å; L267-K270 PolarHBondContact O-N 3.46Å; L267-Y271 VanDerWaalsContact O-CB 3.3Å; L267-Y271 WeakPolarHBondContact O-CB 3.31Å; L267-Y271 PolarHBondContact O-N 3.47Å |
| 268 | A | 98.9 | Very high | 98.5 | Very high | 13 Ų | 13 | 84 Ų | 84 | 11% | 0.107 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60 | -47.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L246 I250 I264 L265 K270 Y271 I272 | L246-A268 HydrophobicContact CD1-CB 4.1Å; L246-A268 HydrophobicContact CD2-CB 4.27Å; L246-A268 HydrophobicContact CG-CB 4.46Å; I250-A268 HydrophobicContact CD1-CB 4.25Å; I264-A268 VanDerWaalsContact O-CB 3.27Å; I264-A268 WeakPolarHBondContact O-CB 3.49Å; I264-A268 PolarHBondContact O-N 2.91Å; L265-A268 PolarHBondContact O-N 3.16Å; A268-K270 PolarHBondContact O-N 2.88Å; A268-Y271 PolarHBondContact O-N 3.16Å; A268-I272 WeakPolarHBondContact O-CG1 3.27Å; A268-I272 PolarHBondContact O-N 2.75Å |
| 269 | M | 98.8 | Very high | 98.4 | Very high | 118 Ų | 118 | 79.8 Ų | 79.8 | 58% | 0.581 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -58.7 | -48 | 175.8 | -69.8 | -176.3 | -68.3 | 0 | 0 | 111.6 | L265 R266 Y271 I272 S273 | L265-M269 WeakPolarHBondContact O-CG 3.44Å; L265-M269 PolarHBondContact O-N 2.87Å; L265-M269 VanDerWaalsContact O-N 3.14Å; R266-M269 HydrophobicContact CG-CE 4.28Å; M269-Y271 VanDerWaalsContact C-N 3.29Å; M269-Y271 PolarHBondContact O-N 3.15Å; M269-I272 PolarHBondContact O-N 3.49Å; M269-S273 PolarHBondContact O-N 3.36Å; M269-S273 PolarHBondContact O-OG 3.25Å |
| 270 | K | 98.6 | Very high | 98.3 | Very high | 145 Ų | 145 | 84.8 Ų | 84.8 | 63% | 0.63 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -60 | -39.9 | 177.2 | -72.2 | 179.2 | -179 | -171.9 | 0 | 112.3 | R266 L267 A268 F274 | R266-K270 WeakPolarHBondContact O-CG 3.28Å; R266-K270 PolarHBondContact O-N 3.43Å; R266-K270 VanDerWaalsContact O-N 3.11Å; L267-K270 PolarHBondContact O-N 3.46Å; A268-K270 PolarHBondContact O-N 2.88Å; K270-F274 VanDerWaalsContact O-CB 3.29Å; K270-F274 WeakPolarHBondContact O-CB 3.31Å; K270-F274 PolarHBondContact O-N 3.27Å |
| 271 | Y | 98.8 | Very high | 98.1 | Very high | 83 Ų | 83 | 87.7 Ų | 87.7 | 33% | 0.325 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -71.4 | -39.8 | -178.2 | -172.1 | -130.9 | 0 | 0 | 0 | 111.9 | L249 P251 L267 A268 M269 F274 L275 | L249-Y271 WeakPolarHBondContact O-CE1 3.33Å; P251-Y271 HydrophobicContact CG-CD1 4.44Å; P251-Y271 HydrophobicContact CG-CD2 3.98Å; P251-Y271 HydrophobicContact CG-CE1 4.01Å; P251-Y271 HydrophobicContact CG-CE2 3.54Å; P251-Y271 HydrophobicContact CG-CG 4.42Å; L267-Y271 VanDerWaalsContact O-CB 3.3Å; L267-Y271 WeakPolarHBondContact O-CB 3.31Å; L267-Y271 PolarHBondContact O-N 3.47Å; A268-Y271 PolarHBondContact O-N 3.16Å; M269-Y271 VanDerWaalsContact C-N 3.29Å; M269-Y271 PolarHBondContact O-N 3.15Å; Y271-F274 HydrophobicContact CD2-CD1 4.14Å; Y271-F274 HydrophobicContact CE2-CD1 4.14Å; Y271-F274 PolarHBondContact O-N 3.01Å; Y271-L275 HydrophobicContact CD1-CD1 4.19Å; Y271-L275 HydrophobicContact CD2-CG 4.29Å; Y271-L275 HydrophobicContact CE1-CD1 3.79Å; Y271-L275 HydrophobicContact CE1-CG 4.5Å; Y271-L275 HydrophobicContact CE2-CD1 4.12Å; Y271-L275 HydrophobicContact CE2-CD2 3.97Å; Y271-L275 HydrophobicContact CE2-CG 3.95Å; Y271-L275 WeakPolarHBondContact O-CG 3.04Å; Y271-L275 PolarHBondContact O-N 3.25Å |
| 272 | I | 98.7 | Very high | 97.8 | Very high | 110 Ų | 110 | 87.9 Ų | 87.9 | 56% | 0.564 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -58.7 | -52.1 | 172.1 | -66.6 | 165 | 0 | 0 | 0 | 109.9 | A268 M269 F274 L275 S276 | A268-I272 WeakPolarHBondContact O-CG1 3.27Å; A268-I272 PolarHBondContact O-N 2.75Å; M269-I272 PolarHBondContact O-N 3.49Å; I272-F274 VanDerWaalsContact C-N 3.31Å; I272-F274 PolarHBondContact O-N 3.05Å; I272-L275 PolarHBondContact O-N 2.89Å; I272-S276 PolarHBondContact O-N 3.21Å; I272-S276 PolarHBondContact O-OG 3.29Å |
| 273 | S | 98.6 | Very high | 97.3 | Very high | 67 Ų | 67 | 89.2 Ų | 89.2 | 47% | 0.469 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 178.3 | -59.1 | 0 | 0 | 0 | 0 | 112.9 | M269 S276 N277 | M269-S273 PolarHBondContact O-N 3.36Å; M269-S273 PolarHBondContact O-OG 3.25Å; S273-S276 PolarHBondContact O-N 3.01Å; S273-N277 VanDerWaalsContact O-CG 3.23Å; S273-N277 PolarHBondContact O-N 3.48Å; S273-N277 PolarHBondContact O-OD1 3.4Å |
| 274 | F | 98.5 | Very high | 95.7 | Very high | 122 Ų | 122 | 87.4 Ų | 87.4 | 54% | 0.535 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 175.3 | 170.8 | -97.8 | 0 | 0 | 0 | 111.9 | K270 Y271 I272 L278 | K270-F274 VanDerWaalsContact O-CB 3.29Å; K270-F274 WeakPolarHBondContact O-CB 3.31Å; K270-F274 PolarHBondContact O-N 3.27Å; Y271-F274 HydrophobicContact CD2-CD1 4.14Å; Y271-F274 HydrophobicContact CE2-CD1 4.14Å; Y271-F274 PolarHBondContact O-N 3.01Å; I272-F274 VanDerWaalsContact C-N 3.31Å; I272-F274 PolarHBondContact O-N 3.05Å; F274-L278 HydrophobicContact CE1-CD2 4.34Å; F274-L278 VanDerWaalsContact O-CB 3.3Å; F274-L278 WeakPolarHBondContact O-CB 3.38Å; F274-L278 PolarHBondContact O-N 3.12Å |
| 275 | L | 98.3 | Very high | 93.7 | Very high | 63 Ų | 63 | 90.1 Ų | 90.1 | 33% | 0.33 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.3 | -38 | 178.1 | -67.1 | 176.9 | 0 | 0 | 0 | 112 | Y271 I272 L278 L279 | Y271-L275 HydrophobicContact CD1-CD1 4.19Å; Y271-L275 HydrophobicContact CD2-CG 4.29Å; Y271-L275 HydrophobicContact CE1-CD1 3.79Å; Y271-L275 HydrophobicContact CE1-CG 4.5Å; Y271-L275 HydrophobicContact CE2-CD1 4.12Å; Y271-L275 HydrophobicContact CE2-CD2 3.97Å; Y271-L275 HydrophobicContact CE2-CG 3.95Å; Y271-L275 WeakPolarHBondContact O-CG 3.04Å; Y271-L275 PolarHBondContact O-N 3.25Å; I272-L275 PolarHBondContact O-N 2.89Å; L275-L278 PolarHBondContact O-N 3.38Å; L275-L279 WeakPolarHBondContact O-CG 3.47Å; L275-L279 PolarHBondContact O-N 3.01Å; L275-L279 VanDerWaalsContact O-N 3.12Å |
| 276 | S | 98.1 | Very high | 91.7 | Very high | 51 Ų | 51 | 96.4 Ų | 96.4 | 36% | 0.357 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.1 | -51.4 | 174.7 | -64.6 | 0 | 0 | 0 | 0 | 111.7 | I272 S273 L278 L279 E280 | I272-S276 PolarHBondContact O-N 3.21Å; I272-S276 PolarHBondContact O-OG 3.29Å; S273-S276 PolarHBondContact O-N 3.01Å; S276-L278 VanDerWaalsContact C-N 3.31Å; S276-L278 PolarHBondContact O-N 2.91Å; S276-L279 PolarHBondContact O-N 2.82Å; S276-L279 VanDerWaalsContact O-N 3.13Å; S276-E280 PolarHBondContact O-N 2.91Å |
| 277 | N | 97.1 | Very high | 89.7 | Confident | 89 Ų | 89 | 96.2 Ų | 96.2 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 178.7 | -64 | 3.9 | 0 | 0 | 0 | 111.6 | S273 L279 E280 D281 | S273-N277 VanDerWaalsContact O-CG 3.23Å; S273-N277 PolarHBondContact O-N 3.48Å; S273-N277 PolarHBondContact O-OD1 3.4Å; N277-L279 PolarHBondContact O-N 2.91Å; N277-E280 PolarHBondContact O-N 3.36Å; N277-D281 VanDerWaalsContact O-CG 3.31Å; N277-D281 PolarHBondContact O-N 3.03Å |
| 278 | L | 97.4 | Very high | 87.6 | Confident | 75 Ų | 75 | 100.2 Ų | 100.2 | 39% | 0.393 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.4 | -34.1 | 177.3 | 179.7 | 65 | 0 | 0 | 0 | 112.2 | F274 L275 S276 Q282 | F274-L278 HydrophobicContact CE1-CD2 4.34Å; F274-L278 VanDerWaalsContact O-CB 3.3Å; F274-L278 WeakPolarHBondContact O-CB 3.38Å; F274-L278 PolarHBondContact O-N 3.12Å; L275-L278 PolarHBondContact O-N 3.38Å; S276-L278 VanDerWaalsContact C-N 3.31Å; S276-L278 PolarHBondContact O-N 2.91Å; L278-Q282 VanDerWaalsContact O-CG 3.29Å; L278-Q282 WeakPolarHBondContact O-CG 3.3Å; L278-Q282 PolarHBondContact O-N 3.16Å; L278-Q282 PolarHBondContact O-NE2 3.45Å |
| 279 | L | 96.7 | Very high | 85.4 | Confident | 103 Ų | 103 | 102.5 Ų | 102.5 | 54% | 0.539 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -73.8 | -43.9 | 175.1 | -69.6 | 169.1 | 0 | 0 | 0 | 111.3 | L275 S276 N277 D281 Q282 D283 | L275-L279 WeakPolarHBondContact O-CG 3.47Å; L275-L279 PolarHBondContact O-N 3.01Å; L275-L279 VanDerWaalsContact O-N 3.12Å; S276-L279 PolarHBondContact O-N 2.82Å; S276-L279 VanDerWaalsContact O-N 3.13Å; N277-L279 PolarHBondContact O-N 2.91Å; L279-D281 VanDerWaalsContact C-N 3.32Å; L279-D281 PolarHBondContact O-N 2.9Å; L279-Q282 WeakPolarHBondContact O-CB 3.37Å; L279-Q282 PolarHBondContact O-N 3.3Å; L279-Q282 VanDerWaalsContact O-N 3.12Å; L279-D283 PolarHBondContact O-N 3.22Å |
| 280 | E | 95.3 | Very high | 82.9 | Confident | 130 Ų | 130 | 104.4 Ų | 104.4 | 61% | 0.607 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.1 | -41.6 | 177 | -70.3 | 173.5 | -167.5 | 0 | 0 | 112.2 | S276 N277 Q282 D283 G284 | S276-E280 PolarHBondContact O-N 2.91Å; N277-E280 PolarHBondContact O-N 3.36Å; E280-Q282 VanDerWaalsContact C-N 3.31Å; E280-Q282 PolarHBondContact O-N 3.49Å; E280-D283 PolarHBondContact O-N 2.99Å; E280-G284 PolarHBondContact O-N 2.95Å |
| 281 | D | 94.9 | Very high | 80.4 | Confident | 120 Ų | 120 | 103.3 Ų | 103.3 | 64% | 0.642 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.3 | -35.7 | 176.7 | -70.3 | -21.2 | 0 | 0 | 0 | 112 | N277 L279 G285 | N277-D281 VanDerWaalsContact O-CG 3.31Å; N277-D281 PolarHBondContact O-N 3.03Å; L279-D281 VanDerWaalsContact C-N 3.32Å; L279-D281 PolarHBondContact O-N 2.9Å; D281-G285 PolarHBondContact O-N 2.96Å |
| 282 | Q | 93.2 | Very high | 78.2 | Confident | 109 Ų | 109 | 105 Ų | 105 | 51% | 0.509 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.8 | -37.2 | 177.6 | -75.6 | 173.7 | 83.5 | 0 | 0 | 112.5 | L278 L279 E280 | L278-Q282 VanDerWaalsContact O-CG 3.29Å; L278-Q282 WeakPolarHBondContact O-CG 3.3Å; L278-Q282 PolarHBondContact O-N 3.16Å; L278-Q282 PolarHBondContact O-NE2 3.45Å; L279-Q282 WeakPolarHBondContact O-CB 3.37Å; L279-Q282 PolarHBondContact O-N 3.3Å; L279-Q282 VanDerWaalsContact O-N 3.12Å; E280-Q282 VanDerWaalsContact C-N 3.31Å; E280-Q282 PolarHBondContact O-N 3.49Å |
| 283 | D | 86.8 | Confident | 75.8 | Confident | 104 Ų | 104 | 107.6 Ų | 107.6 | 56% | 0.556 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -78.6 | -35.4 | 178.2 | -70 | -29.1 | 0 | 0 | 0 | 111.7 | L279 E280 R286 | L279-D283 PolarHBondContact O-N 3.22Å; E280-D283 PolarHBondContact O-N 2.99Å; D283-R286 PolarHBondContact O-N 2.76Å |
| 284 | G | 64.9 | Low | 73.1 | Confident | 38 Ų | 38 | 107.9 Ų | 107.9 | 39% | 0.392 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -69.8 | -30.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E280 R286 N287 | E280-G284 PolarHBondContact O-N 2.95Å; G284-R286 PolarHBondContact O-N 3.3Å; G284-N287 PolarHBondContact O-N 3.2Å |
| 285 | G | 58 | Low | 70.7 | Confident | 67 Ų | 67 | 109.5 Ų | 109.5 | 69% | 0.691 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -10.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | D281 | D281-G285 PolarHBondContact O-N 2.96Š|
| 286 | R | 57.4 | Low | 68.3 | Low | 215 Ų | 215 | 112.9 Ų | 112.9 | 81% | 0.811 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -4.7 | 177.8 | -72 | 174.3 | 123.1 | 179.2 | -0.8 | 113.9 | D283 G284 | D283-R286 PolarHBondContact O-N 2.76Å; G284-R286 PolarHBondContact O-N 3.3Å |
| 287 | N | 55.3 | Low | 65.5 | Low | 144 Ų | 144 | 113.4 Ų | 113.4 | 77% | 0.77 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -131 | 15.3 | -173.1 | -124.8 | -44.8 | 0 | 0 | 0 | 115.3 | G284 | G284-N287 PolarHBondContact O-N 3.2Š|
| 288 | V | 55.9 | Low | 62.8 | Low | 138 Ų | 138 | 116.7 Ų | 116.7 | 84% | 0.836 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -121.4 | 52.7 | 172.4 | -167.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 289 | G | 51.2 | Low | 60.4 | Low | 61 Ų | 61 | 120.3 Ų | 120.3 | 63% | 0.629 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -132.8 | -0.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 290 | N | 47.3 | Very low | 57.7 | Low | 158 Ų | 158 | 122.3 Ų | 122.3 | 85% | 0.845 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -133.8 | 35.6 | -169.3 | -99.5 | 76.5 | 0 | 0 | 0 | 115.3 | | |
| 291 | S | 46.6 | Very low | 55 | Low | 123 Ų | 123 | 119.1 Ų | 119.1 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | | | trans | -135 | 63.4 | 162.1 | -63.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 292 | T | 51.5 | Low | 52.5 | Low | 117 Ų | 117 | 120.6 Ų | 120.6 | 72% | 0.718 | 74% | 0.743 | S | S | * | * | | | trans | -75.2 | 131.4 | 154.1 | 48.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 293 | D | 47.9 | Very low | 50.6 | Low | 165 Ų | 165 | 120.4 Ų | 120.4 | 88% | 0.882 | 75% | 0.751 | S | S | * | * | | | trans | 62.5 | 106.7 | 151.1 | -59 | -31.5 | 0 | 0 | 0 | 119.2 | | |
| 294 | G | 41.8 | Very low | 48.2 | Very low | 74 Ų | 74 | 122 Ų | 122 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | | | trans | -160.8 | 70.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111 | T296 | G294-T296 PolarHBondContact O-N 3.31Š|
| 295 | D | 48.6 | Very low | 47.2 | Very low | 155 Ų | 155 | 128.3 Ų | 128.3 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | | | trans | -30 | 118.8 | 157.2 | 171.6 | 38.1 | 0 | 0 | 0 | 113.7 | | |
| 296 | T | 48.6 | Very low | 46.2 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | | | trans | -163.5 | 109.3 | 140.1 | 46.3 | 0 | 0 | 0 | 0 | 109.4 | G294 | G294-T296 PolarHBondContact O-N 3.31Š|
| 297 | G | 39.1 | Very low | 45.1 | Very low | 61 Ų | 61 | 127 Ų | 127 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | | | trans | -78 | 167.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 298 | L | 41 | Very low | 44 | Very low | 159 Ų | 159 | 123.8 Ų | 123.8 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | trans | -179.8 | 113.2 | 133.2 | -121.8 | 74.9 | 0 | 0 | 0 | 111.6 | | |
| 299 | L | 45.9 | Very low | 43.8 | Very low | 150 Ų | 150 | 122.3 Ų | 122.3 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | 56.2 | 129.1 | 134.8 | -51.3 | 168.9 | 0 | 0 | 0 | 119.1 | | |
| 300 | V | 41.3 | Very low | 43 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | | | | -164.8 | 123.1 | 68.4 | 164.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 301 | G | 38.1 | Very low | 42.3 | Very low | 62 Ų | 62 | 124.9 Ų | 124.9 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | | | | 128.7 | 92.9 | 101.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 302 | V | 42 | Very low | 41.8 | Very low | 152 Ų | 152 | 123.6 Ų | 123.6 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | | | | 92.1 | 143.4 | 101.5 | 163.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 303 | P | 53.4 | Low | 41.8 | Very low | 104 Ų | 104 | 123.2 Ų | 123.2 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | | | | -123.7 | 176.9 | -121 | 42.6 | -33 | 0 | 0 | 0 | 114.9 | | |
| 304 | T | 36.7 | Very low | 41.1 | Very low | 138 Ų | 138 | 122.5 Ų | 122.5 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | | | | 179.3 | 136.7 | 126.9 | 22.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 305 | H | 43.3 | Very low | 40.9 | Very low | 171 Ų | 171 | 126 Ų | 126 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | | | trans | 89 | 85.7 | 145.6 | -134.3 | -90 | 0 | 0 | 0 | 121.6 | | |
| 306 | E | 36.2 | Very low | 40.3 | Very low | 173 Ų | 173 | 126.8 Ų | 126.8 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | | | | 37.9 | 119 | 116 | -58.7 | -75.6 | 113.2 | 0 | 0 | 119.5 | | |
| 307 | G | 35.1 | Very low | 39.7 | Very low | 82 Ų | 82 | 127.3 Ų | 127.3 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | trans | 151.5 | 80.3 | 152.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 308 | G | 32.8 | Very low | 39.6 | Very low | 75 Ų | 75 | 130.1 Ų | 130.1 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -85.3 | -168.4 | 155.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 309 | P | 50.5 | Low | 39.4 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | cis | -142.3 | -172.6 | -11.5 | 41.2 | -22.2 | 0 | 0 | 0 | 114.3 | | |
| 310 | Q | 35.4 | Very low | 38.8 | Very low | 191 Ų | 191 | 125.3 Ų | 125.3 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | | | trans | 84.6 | 129.3 | 152.5 | -69.4 | 171.5 | 53.1 | 0 | 0 | 120.8 | | |
| 311 | G | 32.7 | Very low | 38.8 | Very low | 81 Ų | 81 | 126.7 Ų | 126.7 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | | | trans | 140.8 | 82.6 | 146.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 312 | A | 36.5 | Very low | 38.9 | Very low | 96 Ų | 96 | 128 Ų | 128 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | | | trans | -85.7 | -179.9 | 147.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 313 | P | 50.9 | Low | 38.9 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | | | cis | -130.7 | 176 | -18.8 | 24.4 | -0.9 | 0 | 0 | 0 | 112.4 | | |
| 314 | H | 33.3 | Very low | 38.5 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 69% | 0.694 | 79% | 0.794 | S | S | * | * | | | trans | 156.3 | 122.8 | 133.5 | -101.7 | -108.5 | 0 | 0 | 0 | 115.5 | | |
| 315 | Q | 38 | Very low | 38.5 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | | | trans | 68.1 | 123.4 | 131.7 | -68.2 | -179 | 147.9 | 0 | 0 | 125 | | |
| 316 | E | 34.9 | Very low | 38.7 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | | | trans | 49.7 | 120.7 | 131.4 | -62.8 | -172.6 | 147.8 | 0 | 0 | 120.8 | | |
| 317 | T | 36.6 | Very low | 39.3 | Very low | 146 Ų | 146 | 133.7 Ų | 133.7 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | | | trans | -158.7 | 144.3 | 130 | -65.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 318 | V | 37.7 | Very low | 39.7 | Very low | 120 Ų | 120 | 138 Ų | 138 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -80 | 166.3 | -170.6 | 169.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 319 | V | 36 | Very low | 40 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | | | trans | 72.5 | 117.5 | 160.4 | -81.2 | 0 | 0 | 0 | 0 | 122.2 | | |
| 320 | G | 32.9 | Very low | 39.6 | Very low | 69 Ų | 69 | 143.3 Ų | 143.3 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | | | | 100.2 | 113.9 | 109.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 321 | L | 40.9 | Very low | 40.1 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | | | trans | 69 | 113.3 | 141.7 | -53.6 | 178.4 | 0 | 0 | 0 | 121.3 | | |
| 322 | A | 41.2 | Very low | 41.3 | Very low | 90 Ų | 90 | 141.3 Ų | 141.3 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | | | trans | 81.3 | 144.6 | 130.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 323 | R | 42.6 | Very low | 41.3 | Very low | 225 Ų | 225 | 140.6 Ų | 140.6 | 85% | 0.849 | 80% | 0.796 | S | S | * | * | | | trans | 95.1 | 112.8 | 162.7 | -56 | -162.6 | 166.7 | -174.9 | -4.6 | 114.7 | | |
| 324 | D | 44.9 | Very low | 40.6 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | | | | 65.3 | 133 | 77.2 | -70.9 | -50.5 | 0 | 0 | 0 | 111.9 | | |
| 325 | D | 37.1 | Very low | 41.1 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | | | trans | 86.2 | 97.5 | 178 | -64.6 | -25.1 | 0 | 0 | 0 | 118.7 | | |
| 326 | L | 45.8 | Very low | 41.4 | Very low | 176 Ų | 176 | 138.7 Ų | 138.7 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | | | | -145.4 | 80.8 | 128.5 | -141.7 | 92.7 | 0 | 0 | 0 | 109.6 | | |
| 327 | L | 48.5 | Very low | 41.5 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | | | trans | -70.8 | 156.6 | 151.9 | -125.8 | 77.7 | 0 | 0 | 0 | 108 | | |
| 328 | E | 43.5 | Very low | 41.9 | Very low | 172 Ų | 172 | 132.7 Ų | 132.7 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | 102.6 | 79.4 | 155.5 | -151.5 | 139.2 | -147.2 | 0 | 0 | 117.9 | | |
| 329 | T | 41.1 | Very low | 42.2 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | -133.2 | 98.4 | 139.4 | 65.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 330 | M | 41.6 | Very low | 43.2 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | | | trans | 49.2 | 133.9 | 139.9 | -43.3 | -56.2 | -81.7 | 0 | 0 | 119.4 | | |
| 331 | S | 45.8 | Very low | 43.5 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | cis | -179.4 | -176.7 | -7.4 | -135.2 | 0 | 0 | 0 | 0 | 105.3 | | |
| 332 | P | 56.8 | Low | 43.5 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -112.2 | 170.1 | -135.4 | 33.3 | -13.2 | 0 | 0 | 0 | 115.2 | | |
| 333 | G | 37.5 | Very low | 43.3 | Very low | 80 Ų | 80 | 134.2 Ų | 134.2 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | 139.1 | 103.6 | 154.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 334 | S | 36.7 | Very low | 43.3 | Very low | 123 Ų | 123 | 127 Ų | 127 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | | | | -163.4 | 121.1 | 123.9 | -157.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 335 | S | 43.9 | Very low | 43 | Very low | 120 Ų | 120 | 128 Ų | 128 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | | | trans | -96.3 | 122.6 | 177.6 | 174.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 336 | C | 43.6 | Very low | 42.9 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | | | trans | -157.2 | 124.9 | 146.2 | 60.5 | 0 | 0 | 0 | 0 | 105.4 | | |
| 337 | G | 36.9 | Very low | 42.6 | Very low | 68 Ų | 68 | 120.5 Ų | 120.5 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | cis | 108.3 | 88 | 29.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 338 | S | 46.1 | Very low | 42.8 | Very low | 122 Ų | 122 | 118.5 Ų | 118.5 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | | | trans | -176.6 | 94.1 | 150.5 | -75.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 339 | L | 43.7 | Very low | 42.3 | Very low | 139 Ų | 139 | 118.4 Ų | 118.4 | 73% | 0.728 | 79% | 0.788 | S | S | * | * | | | trans | -60.3 | 151.5 | 144.4 | -93.5 | 140.3 | 0 | 0 | 0 | 108.9 | D341 | L339-D341 WeakPolarHBondContact CD2-OD1 3.42Š|
| 340 | P | 55.5 | Low | 42 | Very low | 124 Ų | 124 | 117.4 Ų | 117.4 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | | | | -135.4 | 148.5 | 94.2 | 34.3 | -21.4 | 0 | 0 | 0 | 114.4 | | |
| 341 | D | 39.3 | Very low | 42.1 | Very low | 127 Ų | 127 | 117.6 Ų | 117.6 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | | | trans | -58.4 | 154.6 | 175.1 | -54.8 | -77.4 | 0 | 0 | 0 | 113.8 | L339 | L339-D341 WeakPolarHBondContact CD2-OD1 3.42Š|
| 342 | G | 41.8 | Very low | 42.1 | Very low | 77 Ų | 77 | 120.9 Ų | 120.9 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | trans | -174 | 73.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 343 | D | 37.2 | Very low | 41.3 | Very low | 159 Ų | 159 | 123.9 Ų | 123.9 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | | | trans | -50.9 | 140.5 | 176.9 | -58.3 | -77.9 | 0 | 0 | 0 | 113.5 | | |
| 344 | G | 41.4 | Very low | 41.6 | Very low | 75 Ų | 75 | 126.6 Ų | 126.6 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -164.3 | 71.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 345 | D | 38.9 | Very low | 41.9 | Very low | 171 Ų | 171 | 129.4 Ų | 129.4 | 91% | 0.914 | 79% | 0.788 | S | S | * | * | | | trans | -47.2 | 142.6 | 166.7 | -179.3 | 23.7 | 0 | 0 | 0 | 112.1 | | |
| 346 | G | 36.2 | Very low | 41.3 | Very low | 69 Ų | 69 | 131 Ų | 131 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | trans | 159.3 | 52.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 347 | S | 38.8 | Very low | 41.6 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | | | trans | -73.3 | 142.9 | 152.6 | -155.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 348 | P | 52.7 | Low | 42.2 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | | | | -150.7 | 146.6 | 80 | 33.4 | -11.7 | 0 | 0 | 0 | 116.3 | | |
| 349 | E | 33.3 | Very low | 42.3 | Very low | 170 Ų | 170 | 133.4 Ų | 133.4 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | | 45 | 149 | 119.2 | -123.1 | 132.9 | 105.6 | 0 | 0 | 123.3 | | |
| 350 | S | 35.2 | Very low | 41.9 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | 88.4 | 137.7 | 164.4 | 82.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 351 | F | 42.3 | Very low | 41 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 74% | 0.737 | 80% | 0.795 | S | S | * | * | | | cis | -164.7 | 138.3 | 29.2 | -179.5 | -114.8 | 0 | 0 | 0 | 108.8 | | |
| 352 | M | 46.9 | Very low | 41 | Very low | 173 Ų | 173 | 137.1 Ų | 137.1 | 85% | 0.852 | 80% | 0.804 | S | S | * | * | | | trans | -69.7 | 126.4 | 171.3 | -60.9 | -112.3 | -169.2 | 0 | 0 | 108.4 | D354 | M352-D354 PolarHBondContact O-N 2.95Š|
| 353 | E | 40.3 | Very low | 40.6 | Very low | 189 Ų | 189 | 140.1 Ų | 140.1 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | trans | -76 | 108.9 | 176.9 | -166.2 | 133.9 | 98.3 | 0 | 0 | 109.7 | | |
| 354 | D | 42.2 | Very low | 40.7 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | -68.3 | 150.6 | 173.8 | -102 | -55.4 | 0 | 0 | 0 | 112.5 | M352 | M352-D354 PolarHBondContact O-N 2.95Š|
| 355 | Q | 42.8 | Very low | 40.4 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | | | trans | -67.6 | 146.7 | -176.4 | -63.1 | -100.6 | 89.7 | 0 | 0 | 113.5 | | |
| 356 | D | 33 | Very low | 40.1 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | | | trans | -154.6 | 126 | 142.3 | -141.1 | -25.1 | 0 | 0 | 0 | 113.1 | | |
| 357 | S | 49.6 | Very low | 40.1 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -141.1 | 126 | 169.9 | -85 | 0 | 0 | 0 | 0 | 108 | | |
| 358 | P | 48.9 | Very low | 39.9 | Very low | 118 Ų | 118 | 148.7 Ų | 148.7 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | | | trans | -105.3 | 175.4 | -178.2 | 45 | -37.9 | 0 | 0 | 0 | 111.3 | | |
| 359 | P | 48.1 | Very low | 38.9 | Very low | 131 Ų | 131 | 146.7 Ų | 146.7 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | | | | -117.4 | 156.6 | -103.9 | 27.7 | -7.3 | 0 | 0 | 0 | 113.7 | | |
| 360 | A | 35.3 | Very low | 39.7 | Very low | 99 Ų | 99 | 144.7 Ų | 144.7 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -134.8 | 120.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111 | R362 | A360-R362 PolarHBondContact O-N 3.14Š|
| 361 | T | 37.5 | Very low | 39.6 | Very low | 140 Ų | 140 | 144.4 Ų | 144.4 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | | | trans | -60.6 | 117 | 176.5 | 44.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 362 | R | 38.4 | Very low | 39.4 | Very low | 230 Ų | 230 | 144 Ų | 144 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | | | trans | -146.9 | 108.4 | 156.5 | -63.6 | -172.8 | 76.3 | -170.5 | 0.5 | 111.7 | A360 | A360-R362 PolarHBondContact O-N 3.14Š|
| 363 | T | 34.5 | Very low | 38.9 | Very low | 139 Ų | 139 | 143.6 Ų | 143.6 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | | | trans | 40.7 | 118.8 | 131 | -36.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 364 | L | 37.8 | Very low | 38.7 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | | | trans | -49.4 | 140 | 166.2 | -57.2 | 164.8 | 0 | 0 | 0 | 113.4 | | |
| 365 | T | 35.8 | Very low | 38.3 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | | | | -172.3 | 123.3 | 120.2 | 61.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 366 | A | 33 | Very low | 38.2 | Very low | 93 Ų | 93 | 135.2 Ų | 135.2 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | | | trans | 25.7 | 117.2 | 138.4 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 367 | S | 34.9 | Very low | 38.5 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | | | | 83.5 | 111.8 | 82.2 | 178.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 368 | R | 35.6 | Very low | 37.9 | Very low | 246 Ų | 246 | 140.9 Ų | 140.9 | 93% | 0.928 | 81% | 0.814 | S | S | * | * | | | | -179.6 | 120.8 | 128.9 | -107.3 | 174 | 165.1 | 165.5 | -4.3 | 111.6 | | |
| 369 | G | 30.6 | Very low | 37.5 | Very low | 72 Ų | 72 | 141.2 Ų | 141.2 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | | | trans | -80.5 | -149.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 370 | P | 50 | Low | 37.1 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | | | cis | -147.1 | 176.9 | 0.5 | 44.2 | -24.8 | 0 | 0 | 0 | 117.9 | | |
| 371 | S | 33.9 | Very low | 37.2 | Very low | 106 Ų | 106 | 151.8 Ų | 151.8 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | | | trans | 83.4 | 154.8 | 133.5 | -129.5 | 0 | 0 | 0 | 0 | 126.2 | | |
| 372 | L | 39.1 | Very low | 37.4 | Very low | 160 Ų | 160 | 152 Ų | 152 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | | | trans | 98.9 | 104.6 | 166.8 | -50.3 | -173 | 0 | 0 | 0 | 115 | | |
| 373 | H | 35.2 | Very low | 37.2 | Very low | 163 Ų | 163 | 145 Ų | 145 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | | | cis | 85.4 | 135.5 | 38.6 | -154 | -103.5 | 0 | 0 | 0 | 115.3 | | |
| 374 | L | 36.2 | Very low | 37.7 | Very low | 147 Ų | 147 | 149.5 Ų | 149.5 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | | | trans | 79.9 | 140 | 172.4 | -69.4 | 115 | 0 | 0 | 0 | 118 | | |
| 375 | A | 33.6 | Very low | 38.6 | Very low | 86 Ų | 86 | 146.4 Ų | 146.4 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | cis | -165.2 | 147.8 | -3.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 376 | A | 41 | Very low | 38.9 | Very low | 99 Ų | 99 | 147.2 Ų | 147.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -74.8 | 149.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 377 | R | 38.7 | Very low | 39.2 | Very low | 247 Ų | 247 | 150.5 Ų | 150.5 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | | | trans | -147 | 149 | 150.8 | -74.5 | -173.9 | 167 | 135.9 | -4.3 | 108 | | |
| 378 | D | 38.2 | Very low | 39.3 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | | | cis | 176.1 | 167.2 | -31.2 | -150.2 | -23.3 | 0 | 0 | 0 | 104.1 | | |
| 379 | L | 40.8 | Very low | 39.5 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | | | trans | 83.3 | 136.4 | 171.1 | -68.6 | 69.6 | 0 | 0 | 0 | 118.5 | | |
| 380 | R | 39.7 | Very low | 40 | Very low | 202 Ų | 202 | 142.8 Ų | 142.8 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | | | cis | -167.9 | 131.7 | -7.8 | -115.3 | 170.3 | -149.8 | -104.1 | -0.5 | 106.3 | | |
| 381 | R | 37.6 | Very low | 39.7 | Very low | 251 Ų | 251 | 147.1 Ų | 147.1 | 95% | 0.947 | 78% | 0.776 | S | S | * | * | | | trans | -106.7 | 115.7 | 167.9 | -163.4 | -179.7 | -172.8 | -171.3 | 3.2 | 107.2 | | |
| 382 | N | 40.4 | Very low | 40.1 | Very low | 144 Ų | 144 | 156.3 Ų | 156.3 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | | | trans | -93.9 | 138.9 | 173.5 | -72.6 | -26.5 | 0 | 0 | 0 | 109.9 | | |
| 383 | G | 34.5 | Very low | 40.1 | Very low | 82 Ų | 82 | 156.2 Ų | 156.2 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | 109.1 | 83.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 384 | R | 44.7 | Very low | 40.4 | Very low | 235 Ų | 235 | 155.8 Ų | 155.8 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | | | trans | -70.4 | -174.5 | 156.9 | -87.5 | -172.6 | 175.3 | -115.3 | 3.2 | 111.1 | | |
| 385 | P | 56.9 | Low | 40.6 | Very low | 97 Ų | 97 | 156.3 Ų | 156.3 | 63% | 0.63 | 80% | 0.795 | S | S | * | * | | | | -136 | -160.6 | -56 | 41.3 | -22.9 | 0 | 0 | 0 | 109.7 | | |
| 386 | L | 42.8 | Very low | 41 | Very low | 156 Ų | 156 | 160.4 Ų | 160.4 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | | | trans | 138.1 | 99.6 | 151.1 | -72.1 | 177.4 | 0 | 0 | 0 | 108.3 | | |
| 387 | D | 39.7 | Very low | 41 | Very low | 161 Ų | 161 | 164.3 Ų | 164.3 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | | | | 87.5 | 140.6 | 84.5 | -167.5 | 26.2 | 0 | 0 | 0 | 111.8 | | |
| 388 | G | 36.6 | Very low | 41.2 | Very low | 55 Ų | 55 | 158.7 Ų | 158.7 | 57% | 0.567 | 79% | 0.79 | S | S | * | * | | | trans | 103.6 | 89.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 389 | S | 39.6 | Very low | 41.4 | Very low | 109 Ų | 109 | 159.9 Ų | 159.9 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | | 78.8 | 144.7 | 114.7 | -146.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 390 | T | 39.9 | Very low | 41.4 | Very low | 104 Ų | 104 | 162.7 Ų | 162.7 | 64% | 0.638 | 80% | 0.803 | S | S | * | * | | | trans | 81.3 | 116.1 | 147.3 | 34.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 391 | R | 44.6 | Very low | 41.6 | Very low | 220 Ų | 220 | 159.4 Ų | 159.4 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | | | | 74.7 | 135.5 | 128.9 | -73.1 | 172 | -177.5 | -150 | 2.8 | 115.5 | | |
| 392 | R | 41.5 | Very low | 41.9 | Very low | 299 Ų | 299 | 151.1 Ų | 151.1 | 100% | 1.128 | 79% | 0.794 | S | S | * | * | | | cis | -162.4 | 0 | 8 | -145.5 | -177.8 | -163.2 | -152.3 | 3.4 | 107.7 | | |