| 1 | M | 39 | Very low | 44.9 | Very low | 244 Ų | 244 | 162.7 Ų | 162.7 | 100% | 1.202 | 81% | 0.81 | S | S | * | * | | | | 0 | 136 | 0 | -89.8 | 179.6 | 153.8 | 0 | 0 | 108 | | |
| 2 | A | 43.6 | Very low | 44.6 | Very low | 100 Ų | 100 | 161.3 Ų | 161.3 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | trans | 43.5 | 104.4 | 152.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 3 | E | 41.2 | Very low | 44.5 | Very low | 181 Ų | 181 | 162.2 Ų | 162.2 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | | | | -66.7 | -176.8 | 127.5 | -58.7 | -166 | 140.7 | 0 | 0 | 109.7 | | |
| 4 | P | 57.7 | Low | 44.3 | Very low | 100 Ų | 100 | 162.4 Ų | 162.4 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | | | cis | -147.7 | -154.4 | 14.4 | 34.7 | -7.3 | 0 | 0 | 0 | 115.7 | | |
| 5 | R | 38.7 | Very low | 44.3 | Very low | 195 Ų | 195 | 158.4 Ų | 158.4 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | | | trans | 86 | 146.1 | 159.4 | -70.7 | 166.1 | 172.9 | -161 | -2.7 | 117.4 | | |
| 6 | Q | 51.2 | Low | 44.2 | Very low | 149 Ų | 149 | 152.6 Ų | 152.6 | 70% | 0.696 | 80% | 0.8 | S | S | * | * | | | cis | -138.5 | 135.8 | 1 | -103.4 | 135.6 | 39.7 | 0 | 0 | 107.2 | | |
| 7 | E | 43.2 | Very low | 43.9 | Very low | 160 Ų | 160 | 151.2 Ų | 151.2 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | | 64.9 | 111 | 77.3 | -65.5 | 168.8 | -120 | 0 | 0 | 114.9 | | |
| 8 | F | 40.2 | Very low | 43.7 | Very low | 204 Ų | 204 | 155.3 Ų | 155.3 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | | | trans | -140.9 | 107.7 | 140.3 | 59.4 | -94.1 | 0 | 0 | 0 | 110.4 | | |
| 9 | E | 41.7 | Very low | 43.5 | Very low | 182 Ų | 182 | 151.5 Ų | 151.5 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | | | trans | -66.8 | 155.8 | 149.9 | -138.5 | 166.3 | -153.8 | 0 | 0 | 106.4 | | |
| 10 | V | 43.8 | Very low | 43.5 | Very low | 95 Ų | 95 | 152.7 Ų | 152.7 | 58% | 0.576 | 81% | 0.812 | S | S | * | * | | | | -170.1 | 142.9 | 54.7 | 171.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 11 | M | 53.3 | Low | 43.4 | Very low | 180 Ų | 180 | 148.3 Ų | 148.3 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | | | | -176.7 | 119.4 | 124.5 | -121.2 | 82 | -163.4 | 0 | 0 | 110 | | |
| 12 | E | 41.2 | Very low | 43.6 | Very low | 146 Ų | 146 | 141.9 Ų | 141.9 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | | | trans | -63.5 | 146.5 | 168 | -68.4 | 123.9 | 104 | 0 | 0 | 112.1 | | |
| 13 | D | 43.8 | Very low | 43.6 | Very low | 172 Ų | 172 | 146.9 Ų | 146.9 | 92% | 0.92 | 77% | 0.772 | S | S | * | * | | | trans | -133.3 | 107.7 | 143.7 | -120.2 | -24.5 | 0 | 0 | 0 | 108 | | |
| 14 | H | 42.2 | Very low | 43.6 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | trans | -99.2 | 114.1 | -179.2 | -92.8 | -55.8 | 0 | 0 | 0 | 110.6 | | |
| 15 | A | 44 | Very low | 42.7 | Very low | 102 Ų | 102 | 148.1 Ų | 148.1 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | trans | -154.2 | 112.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 16 | G | 42.7 | Very low | 42.8 | Very low | 65 Ų | 65 | 147.5 Ų | 147.5 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | | | trans | 80.2 | 125.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 17 | T | 38.6 | Very low | 42.1 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | cis | 46.6 | 120.6 | 30.4 | 86.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 18 | Y | 40.3 | Very low | 41.7 | Very low | 225 Ų | 225 | 140 Ų | 140 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | | | cis | -159.3 | 155.1 | 46.4 | 36.5 | -92.9 | 0 | 0 | 0 | 109.5 | | |
| 19 | G | 41.1 | Very low | 41.5 | Very low | 84 Ų | 84 | 141.7 Ų | 141.7 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | | | trans | 152.4 | 63 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 20 | L | 42.2 | Very low | 41.7 | Very low | 174 Ų | 174 | 138.5 Ų | 138.5 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | | | trans | -83 | 146.6 | 172.7 | -145.5 | 102.1 | 0 | 0 | 0 | 110.8 | | |
| 21 | G | 42.4 | Very low | 42.1 | Very low | 62 Ų | 62 | 142.6 Ų | 142.6 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | | | trans | 157.7 | 75.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 22 | D | 43.4 | Very low | 41.9 | Very low | 108 Ų | 108 | 141 Ų | 141 | 58% | 0.578 | 78% | 0.782 | S | S | * | * | | | | 57.1 | 101.7 | 100.5 | -78.2 | -56.1 | 0 | 0 | 0 | 113.6 | | |
| 23 | R | 42.3 | Very low | 41.8 | Very low | 205 Ų | 205 | 142.6 Ų | 142.6 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | | | | 95 | 133.9 | 71.1 | -110.6 | -167.2 | -62.9 | -171.9 | -0.8 | 113.6 | | |
| 24 | K | 41.5 | Very low | 41.7 | Very low | 177 Ų | 177 | 139.9 Ų | 139.9 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | 84.4 | 105.4 | 157.9 | -63.5 | 177.3 | 177.7 | -174.4 | 0 | 119.8 | | |
| 25 | D | 39.3 | Very low | 41.6 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | | 22.1 | 128.9 | 107.2 | -78.8 | -84.6 | 0 | 0 | 0 | 121.8 | | |
| 26 | Q | 39.6 | Very low | 41.4 | Very low | 181 Ų | 181 | 144.7 Ų | 144.7 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | | | trans | 85.1 | 138.7 | 131.7 | -68.9 | 173.6 | 47.4 | 0 | 0 | 122.6 | | |
| 27 | G | 37.1 | Very low | 41.1 | Very low | 84 Ų | 84 | 145.1 Ų | 145.1 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | | | trans | 93.9 | 120.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 28 | G | 35.6 | Very low | 41.2 | Very low | 68 Ų | 68 | 147 Ų | 147 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | cis | 117.4 | 105.3 | 2.7 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 29 | Y | 34.6 | Very low | 41.6 | Very low | 240 Ų | 240 | 142.5 Ų | 142.5 | 94% | 0.941 | 79% | 0.786 | S | S | * | * | | | trans | -156.6 | 151 | 163.5 | -101.1 | -72.9 | 0 | 0 | 0 | 111.6 | | |
| 30 | T | 46 | Very low | 41.5 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | | | trans | -101.6 | 153 | -170.4 | 47 | 0 | 0 | 0 | 0 | 113.1 | | |
| 31 | M | 53.6 | Low | 41.5 | Very low | 181 Ų | 181 | 142.7 Ų | 142.7 | 89% | 0.892 | 78% | 0.781 | S | S | * | * | | | trans | -150.1 | 140.2 | 148.1 | -79.2 | -53.3 | -78.9 | 0 | 0 | 110.4 | | |
| 32 | H | 47.6 | Very low | 41.1 | Very low | 146 Ų | 146 | 143.7 Ų | 143.7 | 68% | 0.676 | 79% | 0.791 | S | S | * | * | | | trans | -94.5 | 152.3 | 176.2 | -72.7 | -113.5 | 0 | 0 | 0 | 111.7 | | |
| 33 | Q | 40.7 | Very low | 41 | Very low | 181 Ų | 181 | 147 Ų | 147 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | | | trans | -179.4 | 89.1 | 131.8 | -101.2 | 163.1 | 34 | 0 | 0 | 112.9 | | |
| 34 | D | 40.5 | Very low | 40.7 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 61% | 0.61 | 81% | 0.812 | S | S | * | * | | | | 21.3 | 122.5 | 118.7 | -34.1 | -41.3 | 0 | 0 | 0 | 120.3 | | |
| 35 | Q | 41.7 | Very low | 40.5 | Very low | 183 Ų | 183 | 142.7 Ų | 142.7 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | | | | -179.6 | 106.5 | 128.7 | -98.1 | 163 | 12 | 0 | 0 | 107.5 | | |
| 36 | E | 38.8 | Very low | 40.5 | Very low | 187 Ų | 187 | 145.8 Ų | 145.8 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | | | | 56.7 | 107.5 | 76.1 | -61.9 | -174.4 | -179.2 | 0 | 0 | 110.9 | | |
| 37 | G | 36.8 | Very low | 40.4 | Very low | 74 Ų | 74 | 146.4 Ų | 146.4 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | | | | 127.6 | 153.1 | 74.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 38 | D | 39.7 | Very low | 40.4 | Very low | 169 Ų | 169 | 146.5 Ų | 146.5 | 90% | 0.904 | 82% | 0.818 | S | S | * | * | | | cis | -139.1 | 155.4 | 10.9 | -99.4 | -48.9 | 0 | 0 | 0 | 111.2 | | |
| 39 | T | 49.5 | Very low | 40.2 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 80% | 0.798 | 82% | 0.824 | S | S | * | * | | | trans | -97 | 140.3 | 161.2 | 49.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 40 | D | 39 | Very low | 40.5 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 90% | 0.898 | 82% | 0.821 | S | S | * | * | | | trans | -150.9 | 151.5 | 144.2 | -135.5 | -33.1 | 0 | 0 | 0 | 113.6 | | |
| 41 | A | 42.7 | Very low | 40 | Very low | 94 Ų | 94 | 141.2 Ų | 141.2 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | | | trans | -132.8 | 129.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 42 | G | 32.3 | Very low | 39.1 | Very low | 82 Ų | 82 | 140.5 Ų | 140.5 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | | | trans | -134.9 | 109.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 43 | L | 42.9 | Very low | 38.8 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 93% | 0.932 | 82% | 0.822 | S | S | * | * | | | trans | -97 | 126.5 | 166.8 | -69 | 169.9 | 0 | 0 | 0 | 110.4 | | |
| 44 | K | 35.7 | Very low | 39.3 | Very low | 200 Ų | 200 | 137 Ų | 137 | 87% | 0.87 | 82% | 0.82 | S | S | * | * | | | trans | -172.1 | 123.9 | 155.7 | -102.8 | 162.8 | -179.7 | 177.8 | 0 | 106.7 | | |
| 45 | A | 36.8 | Very low | 39.2 | Very low | 92 Ų | 92 | 137.1 Ų | 137.1 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | | | | 86.2 | 122.2 | 53.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 46 | E | 38.8 | Very low | 39.4 | Very low | 196 Ų | 196 | 135.6 Ų | 135.6 | 92% | 0.916 | 83% | 0.827 | S | S | * | * | | | trans | 48.8 | 122.1 | 171.2 | -65.4 | -150.6 | 123.6 | 0 | 0 | 121.2 | | |
| 47 | E | 37.1 | Very low | 39.5 | Very low | 194 Ų | 194 | 135.4 Ų | 135.4 | 91% | 0.907 | 83% | 0.826 | S | S | * | * | | | | -145.4 | 143.5 | 119.7 | -165.1 | 172.6 | 172.3 | 0 | 0 | 109.7 | | |
| 48 | A | 38.3 | Very low | 39.8 | Very low | 86 Ų | 86 | 138.8 Ų | 138.8 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | | | trans | -93.5 | 139.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 49 | G | 32.1 | Very low | 39.8 | Very low | 81 Ų | 81 | 138.3 Ų | 138.3 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | | | trans | -135.7 | 103.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 50 | I | 40.1 | Very low | 39.1 | Very low | 172 Ų | 172 | 135.9 Ų | 135.9 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | | | trans | -102.2 | 143 | 178.7 | -57.8 | 169.7 | 0 | 0 | 0 | 108.6 | | |
| 51 | G | 34.9 | Very low | 39 | Very low | 58 Ų | 58 | 132.7 Ų | 132.7 | 60% | 0.598 | 81% | 0.809 | S | S | * | * | | | trans | 108.8 | 140.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 52 | D | 34.7 | Very low | 38.7 | Very low | 165 Ų | 165 | 132.2 Ų | 132.2 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | | | cis | -150.2 | 161.3 | -3.4 | -90.8 | -44.6 | 0 | 0 | 0 | 110.9 | | |
| 53 | T | 42 | Very low | 38.8 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -128.7 | 166.3 | 165.2 | 61.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 54 | P | 51.8 | Low | 38.8 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | | | | -107.2 | 158.2 | -70.4 | 36.1 | -25.5 | 0 | 0 | 0 | 110.6 | | |
| 55 | S | 38.4 | Very low | 39 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | trans | -109.2 | 135.2 | 164.7 | -164.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 56 | L | 45.3 | Very low | 39 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | trans | -81.9 | -171 | 164 | -64 | 165 | 0 | 0 | 0 | 109.2 | | |
| 57 | E | 40.2 | Very low | 38.7 | Very low | 183 Ų | 183 | 129.3 Ų | 129.3 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | | | trans | 79.6 | 135.4 | 170 | -54.4 | 167.4 | -161.7 | 0 | 0 | 115.2 | | |
| 58 | D | 42.4 | Very low | 38.6 | Very low | 144 Ų | 144 | 131.2 Ų | 131.2 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | | | cis | -161.8 | -177.6 | -23.4 | -156.6 | -5.1 | 0 | 0 | 0 | 108.7 | | |
| 59 | E | 41 | Very low | 38.3 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | 82.8 | 147.5 | 146.9 | -85 | -66.6 | 145.3 | 0 | 0 | 122.7 | | |
| 60 | A | 34.7 | Very low | 38.5 | Very low | 78 Ų | 78 | 137.8 Ų | 137.8 | 65% | 0.645 | 80% | 0.795 | S | S | * | * | | | trans | 71.6 | 95.7 | 149.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 61 | A | 36.3 | Very low | 38.5 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | | | | 50.8 | 115.8 | 112.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 62 | G | 35.8 | Very low | 38.5 | Very low | 83 Ų | 83 | 141.2 Ų | 141.2 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | trans | -67.6 | 162.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 63 | H | 35.9 | Very low | 38.5 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | | | trans | -132.1 | 119.6 | 158.9 | -162.5 | -98.3 | 0 | 0 | 0 | 110.1 | T65 | H63-T65 PolarHBondContact ND1-OG1 2.64Š|
| 64 | V | 42.7 | Very low | 38.4 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | | | trans | -87.1 | 115.7 | 171 | 170.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 65 | T | 39.3 | Very low | 37.5 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 68% | 0.681 | 80% | 0.799 | S | S | * | * | | | trans | -136.8 | 118.4 | 164.7 | 17.8 | 0 | 0 | 0 | 0 | 110.5 | H63 | H63-T65 PolarHBondContact ND1-OG1 2.64Š|
| 66 | Q | 36.3 | Very low | 37.4 | Very low | 192 Ų | 192 | 141.1 Ų | 141.1 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | | | trans | -72.7 | 138.6 | 174.9 | -60.8 | 175.5 | 2.3 | 0 | 0 | 110.2 | | |
| 67 | A | 33.1 | Very low | 36.8 | Very low | 92 Ų | 92 | 140.9 Ų | 140.9 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | | | trans | -133.8 | 103.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 68 | R | 35.4 | Very low | 36.4 | Very low | 233 Ų | 233 | 135.2 Ų | 135.2 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | trans | -71.3 | 129 | 176.4 | 166.2 | -169.3 | -178 | -177.9 | 1.7 | 110.5 | | |
| 69 | M | 32.7 | Very low | 36.1 | Very low | 181 Ų | 181 | 133.4 Ų | 133.4 | 89% | 0.892 | 79% | 0.788 | S | S | * | * | | | trans | -144.1 | 141 | 153.2 | 20.7 | -169.5 | 171 | 0 | 0 | 112.1 | | |
| 70 | V | 35.6 | Very low | 35.8 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 76% | 0.758 | 79% | 0.789 | S | S | * | * | | | trans | -125.7 | 120.5 | -169.4 | 168.4 | 0 | 0 | 0 | 0 | 109 | | |
| 71 | S | 39 | Very low | 36.1 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -173 | 107.6 | 157.5 | 46.3 | 0 | 0 | 0 | 0 | 108 | | |
| 72 | K | 35.9 | Very low | 36.3 | Very low | 187 Ų | 187 | 140.7 Ų | 140.7 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | | | | 96.3 | 92.8 | 62 | -175.3 | 163.6 | -174.5 | 170.2 | 0 | 112.1 | | |
| 73 | S | 33.6 | Very low | 36.2 | Very low | 92 Ų | 92 | 145.8 Ų | 145.8 | 64% | 0.643 | 80% | 0.796 | S | S | * | * | | | trans | 37.3 | 131 | 144.4 | 65.1 | 0 | 0 | 0 | 0 | 121 | | |
| 74 | K | 41 | Very low | 36.3 | Very low | 209 Ų | 209 | 143.1 Ų | 143.1 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | | | | -162.4 | 132 | 120.3 | -112.6 | 174.4 | -179.2 | -176.3 | 0 | 113 | | |
| 75 | D | 33.2 | Very low | 35.9 | Very low | 163 Ų | 163 | 146.5 Ų | 146.5 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | | | trans | -82.2 | 169.5 | 166.7 | -64.6 | -78.6 | 0 | 0 | 0 | 112.3 | | |
| 76 | G | 35.7 | Very low | 35.4 | Very low | 69 Ų | 69 | 144.5 Ų | 144.5 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | | | trans | 144.5 | 85.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 77 | T | 32.1 | Very low | 35.4 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | | | | 69.5 | 125.9 | 55.5 | -19.6 | 0 | 0 | 0 | 0 | 115 | | |
| 78 | G | 32.2 | Very low | 35.6 | Very low | 64 Ų | 64 | 142.2 Ų | 142.2 | 66% | 0.66 | 80% | 0.803 | S | S | * | * | | | trans | 104.5 | 109.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 79 | S | 36.3 | Very low | 35.5 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | | | cis | 85.7 | 123.1 | 48.8 | 77.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 80 | D | 35.9 | Very low | 35.6 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | | | | 157.7 | 154.2 | 115.2 | -86.7 | -70.9 | 0 | 0 | 0 | 115.2 | | |
| 81 | D | 39.6 | Very low | 35.5 | Very low | 135 Ų | 135 | 135 Ų | 135 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | | | trans | -70.8 | 163.3 | -171.1 | -61.4 | -93.9 | 0 | 0 | 0 | 116.8 | | |
| 82 | K | 40.4 | Very low | 35.5 | Very low | 215 Ų | 215 | 138.8 Ų | 138.8 | 94% | 0.935 | 80% | 0.798 | S | S | * | * | | | | -175.5 | 168.5 | 109.9 | -96.5 | 152 | -165.7 | 163.7 | 0 | 117 | | |
| 83 | K | 35 | Very low | 35.4 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | | | trans | -121.8 | 150.7 | -159.2 | 149.2 | -165 | 176.2 | -173.1 | 0 | 111.5 | | |
| 84 | A | 37.8 | Very low | 35.3 | Very low | 103 Ų | 103 | 138 Ų | 138 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | | | trans | -141.9 | 166.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 85 | K | 34.1 | Very low | 35.2 | Very low | 206 Ų | 206 | 134.5 Ų | 134.5 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | | | trans | -158.2 | 146.8 | -158.3 | -171.4 | -160.7 | -177 | -163 | 0 | 113.3 | | |
| 86 | G | 28.6 | Very low | 35.8 | Very low | 69 Ų | 69 | 132.6 Ų | 132.6 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | | | trans | 129 | 139.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 87 | A | 36.6 | Very low | 35.6 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | | | cis | 81.5 | 138.1 | 26 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 88 | D | 37.8 | Very low | 35.5 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 67% | 0.674 | 80% | 0.8 | S | S | * | * | | | cis | -150.5 | 161.1 | 12.5 | 169.6 | 30 | 0 | 0 | 0 | 109.9 | K90 | D88-K90 IonicContact OD1-NZ 2.67Å; D88-K90 WeakPolarHBondContact OD2-CE 3.18Å; D88-K90 IonicContact OD2-NZ 3.12Å; D88-K90 PolarHBondContact OD2-NZ 3.21Å |
| 89 | G | 32.1 | Very low | 35.5 | Very low | 74 Ų | 74 | 139.7 Ų | 139.7 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | | | trans | -163.9 | 123.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 90 | K | 35.5 | Very low | 35.3 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 72% | 0.717 | 81% | 0.814 | S | S | * | * | | | trans | -135.2 | 149.7 | -165.2 | -63.1 | 166.2 | -178.5 | 138.2 | 0 | 113.3 | D88 | D88-K90 IonicContact OD1-NZ 2.67Å; D88-K90 WeakPolarHBondContact OD2-CE 3.18Å; D88-K90 IonicContact OD2-NZ 3.12Å; D88-K90 PolarHBondContact OD2-NZ 3.21Å |
| 91 | T | 33.9 | Very low | 36.2 | Very low | 148 Ų | 148 | 138 Ų | 138 | 91% | 0.908 | 82% | 0.815 | S | S | * | * | | | trans | -141.4 | 159.8 | 155 | 36 | 0 | 0 | 0 | 0 | 111.2 | | |
| 92 | K | 37.6 | Very low | 36.6 | Very low | 195 Ų | 195 | 137.4 Ų | 137.4 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | | | trans | -128.9 | -176.3 | -169.1 | -77.1 | -160 | 177.9 | -170.7 | 0 | 112.2 | | |
| 93 | I | 33.7 | Very low | 36.2 | Very low | 174 Ų | 174 | 130.5 Ų | 130.5 | 89% | 0.892 | 81% | 0.809 | S | S | * | * | | | trans | 109.2 | 138.4 | 162.7 | -59.2 | 156.9 | 0 | 0 | 0 | 112.1 | | |
| 94 | A | 32.4 | Very low | 36.2 | Very low | 90 Ų | 90 | 131.1 Ų | 131.1 | 74% | 0.744 | 81% | 0.814 | S | S | * | * | | | cis | -164.3 | 166.4 | -31.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 95 | T | 38.3 | Very low | 35.9 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | | | trans | -124.4 | 149.8 | 179.6 | -31.8 | 0 | 0 | 0 | 0 | 111 | | |
| 96 | P | 45.6 | Very low | 35.7 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | | | | -147.4 | -178.9 | 117.8 | 36.6 | -20.5 | 0 | 0 | 0 | 112.6 | | |
| 97 | R | 32.5 | Very low | 35.9 | Very low | 251 Ų | 251 | 136.1 Ų | 136.1 | 95% | 0.947 | 82% | 0.821 | S | S | * | * | | | cis | -175.4 | 144.9 | -37.1 | 176.4 | 178.4 | 179.8 | 171.3 | 0.4 | 107.2 | | |
| 98 | G | 28.6 | Very low | 35.6 | Very low | 66 Ų | 66 | 134.8 Ų | 134.8 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | | | trans | 131.2 | 114 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 99 | A | 33 | Very low | 35.2 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | | | cis | 84.3 | 123.6 | 47.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 100 | A | 32.8 | Very low | 35.1 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | | | trans | -134.3 | -172.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 101 | P | 54.9 | Low | 35.2 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | | | cis | -116 | -124.2 | -8.4 | 27.8 | -1.7 | 0 | 0 | 0 | 107.7 | | |
| 102 | P | 48.1 | Very low | 35.2 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | | | cis | -135.4 | 173.8 | -26.8 | 39.7 | -22.6 | 0 | 0 | 0 | 116.4 | | |
| 103 | G | 30.8 | Very low | 35.2 | Very low | 71 Ų | 71 | 138.3 Ų | 138.3 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | | | trans | 133.3 | 131.1 | 134.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 104 | Q | 35.4 | Very low | 35.5 | Very low | 202 Ų | 202 | 135.7 Ų | 135.7 | 94% | 0.944 | 81% | 0.814 | S | S | * | * | | | trans | 91.7 | 166.2 | 148.1 | -54.3 | -154.5 | 9 | 0 | 0 | 121.6 | | |
| 105 | K | 30.8 | Very low | 35.5 | Very low | 215 Ų | 215 | 135.8 Ų | 135.8 | 94% | 0.935 | 82% | 0.816 | S | S | * | * | | | trans | -116.4 | 166.5 | -145.4 | -57.7 | 172.1 | 177.7 | 175.1 | 0 | 113.7 | | |
| 106 | G | 30.4 | Very low | 35.2 | Very low | 74 Ų | 74 | 139.4 Ų | 139.4 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | | | trans | 134.6 | 108.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 107 | Q | 32.8 | Very low | 34.9 | Very low | 194 Ų | 194 | 139.6 Ų | 139.6 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | | | cis | 74.5 | 99.7 | 42.3 | -123.6 | -173.5 | 5.6 | 0 | 0 | 115.6 | | |
| 108 | A | 30.1 | Very low | 35.8 | Very low | 82 Ų | 82 | 132.9 Ų | 132.9 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | | | trans | 75.3 | 138.1 | 145.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 109 | N | 29.5 | Very low | 36.4 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | | | trans | 68.4 | 155.7 | 158.3 | -64.3 | -27.3 | 0 | 0 | 0 | 118.9 | | |
| 110 | A | 30.7 | Very low | 36.6 | Very low | 77 Ų | 77 | 134.7 Ų | 134.7 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | | | cis | -174.8 | 130.3 | -32.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 111 | T | 37.9 | Very low | 36.8 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | | | trans | -127 | 99.8 | 169.1 | -50.3 | 0 | 0 | 0 | 0 | 110 | | |
| 112 | R | 34.2 | Very low | 35.9 | Very low | 233 Ų | 233 | 139.7 Ų | 139.7 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | | | trans | -72.4 | 136.1 | 173.4 | -69.1 | 170.2 | 159.9 | -162.4 | -3.7 | 110.8 | | |
| 113 | I | 37.5 | Very low | 35.4 | Very low | 165 Ų | 165 | 140 Ų | 140 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | | | trans | -137.5 | 141.4 | 141.1 | -65.5 | -168.4 | 0 | 0 | 0 | 106.5 | | |
| 114 | P | 39.7 | Very low | 35.9 | Very low | 118 Ų | 118 | 142 Ų | 142 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | | | trans | -104.1 | 165.9 | -139.4 | 38.9 | -37.1 | 0 | 0 | 0 | 116.7 | | |
| 115 | A | 31.1 | Very low | 36.3 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | | | trans | -73.6 | 146.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 116 | K | 33.8 | Very low | 36.4 | Very low | 210 Ų | 210 | 134.2 Ų | 134.2 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | | | trans | -137.8 | 136.5 | 153.7 | -76.6 | -170.5 | 176.1 | -178.5 | 0 | 109.1 | | |
| 117 | T | 38.8 | Very low | 36.6 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | trans | -119.2 | -176.9 | -177.8 | -28.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 118 | P | 50.7 | Low | 36.6 | Very low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | | | | -90.1 | -171.8 | -108.3 | 40.7 | -26.5 | 0 | 0 | 0 | 114 | | |
| 119 | P | 41.6 | Very low | 37.1 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | | -140.6 | 165 | 104.8 | 37.6 | -25.2 | 0 | 0 | 0 | 115.1 | | |
| 120 | A | 37.5 | Very low | 38.1 | Very low | 88 Ų | 88 | 133 Ų | 133 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 160.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 121 | P | 37.1 | Very low | 39.1 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 126.8 | 160.6 | 32.2 | -27.6 | 0 | 0 | 0 | 111.7 | | |
| 122 | K | 35.5 | Very low | 39.1 | Very low | 191 Ų | 191 | 136.3 Ų | 136.3 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 166.3 | 153 | -51.7 | -179.9 | 177.3 | 179.9 | 0 | 106.9 | | |
| 123 | T | 37.5 | Very low | 39.2 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | cis | -170.6 | 172.2 | 34.3 | 15.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 124 | P | 41.6 | Very low | 39 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | | | cis | -123.4 | 165.2 | -9.4 | 38.7 | -25 | 0 | 0 | 0 | 113.5 | | |
| 125 | P | 43.1 | Very low | 39 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | -139.6 | 153.2 | 134 | 37.5 | -26.1 | 0 | 0 | 0 | 114.6 | | |
| 126 | S | 32.6 | Very low | 39.2 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | | | trans | -164.5 | 133.2 | 164.5 | 179.8 | 0 | 0 | 0 | 0 | 105.5 | | |
| 127 | S | 34.9 | Very low | 39.5 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | cis | -146.7 | 157.5 | 8.3 | 48.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 128 | G | 33.1 | Very low | 39.3 | Very low | 81 Ų | 81 | 128.7 Ų | 128.7 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | | | trans | 152.6 | 66.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 129 | E | 39.9 | Very low | 38.5 | Very low | 184 Ų | 184 | 134.1 Ų | 134.1 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | -85.9 | 172.2 | 166.3 | -90.3 | -164.5 | 104.9 | 0 | 0 | 111.3 | | |
| 130 | P | 51.8 | Low | 38.2 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | | | cis | -137 | -150.7 | -39.5 | 39.5 | -19.6 | 0 | 0 | 0 | 109.9 | | |
| 131 | P | 51.3 | Low | 38.7 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 66% | 0.656 | 80% | 0.799 | S | S | * | * | | | | -132.4 | 167 | -53.5 | 29.3 | -9.1 | 0 | 0 | 0 | 116.7 | | |
| 132 | K | 39 | Very low | 39.1 | Very low | 190 Ų | 190 | 133.4 Ų | 133.4 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | | | trans | 64.9 | 110.6 | 133.8 | -74.5 | 170 | -174.5 | 171.8 | 0 | 123.7 | | |
| 133 | S | 34.7 | Very low | 38.9 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | | | | 45.3 | 132.7 | 114.6 | 71.2 | 0 | 0 | 0 | 0 | 122.1 | | |
| 134 | G | 34 | Very low | 39.2 | Very low | 77 Ų | 77 | 127.3 Ų | 127.3 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | 175.2 | 93.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R136 | G134-R136 PolarHBondContact O-N 2.86Š|
| 135 | D | 39.3 | Very low | 39.3 | Very low | 161 Ų | 161 | 128.2 Ų | 128.2 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | | | trans | -63.6 | 129.7 | 164 | -64.8 | -82.2 | 0 | 0 | 0 | 110.7 | | |
| 136 | R | 36 | Very low | 38.8 | Very low | 240 Ų | 240 | 124.8 Ų | 124.8 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | | | | 167.3 | 147.8 | 118.7 | -90.5 | 164.9 | 177.3 | -175.3 | -1.4 | 113.6 | G134 | G134-R136 PolarHBondContact O-N 2.86Š|
| 137 | S | 40.5 | Very low | 38.9 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | | | trans | -44.4 | 145.2 | 169 | 53.2 | 0 | 0 | 0 | 0 | 116.7 | | |
| 138 | G | 33.2 | Very low | 39.3 | Very low | 72 Ų | 72 | 126.3 Ų | 126.3 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | | | trans | 135.7 | 116.9 | 135.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 139 | Y | 33.9 | Very low | 39.5 | Very low | 224 Ų | 224 | 126.1 Ų | 126.1 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | | | trans | 74.5 | 104 | 138.3 | -147 | -101.6 | 0 | 0 | 0 | 121.2 | | |
| 140 | S | 35.8 | Very low | 39.2 | Very low | 81 Ų | 81 | 121.7 Ų | 121.7 | 57% | 0.566 | 78% | 0.781 | S | S | * | * | | | trans | 72.5 | 121.5 | 138.5 | -54 | 0 | 0 | 0 | 0 | 122.9 | | |
| 141 | S | 48 | Very low | 38.4 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | | | trans | 40.1 | 134.8 | 142.2 | -57 | 0 | 0 | 0 | 0 | 123.2 | | |
| 142 | P | 46.3 | Very low | 37.9 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | | | | -128.4 | 165.9 | 120.2 | 35.4 | -25.1 | 0 | 0 | 0 | 111.2 | | |
| 143 | G | 31.1 | Very low | 37.9 | Very low | 70 Ų | 70 | 130.5 Ų | 130.5 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | | | cis | 114.3 | 93 | 18.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 144 | S | 43 | Very low | 38.1 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | | | trans | -75.1 | 142.7 | -170.2 | -46.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 145 | P | 43.9 | Very low | 38.4 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | | | trans | -88.2 | 162 | 161.6 | 36.4 | -32.2 | 0 | 0 | 0 | 111.1 | | |
| 146 | G | 32.7 | Very low | 38.1 | Very low | 62 Ų | 62 | 131 Ų | 131 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | | | trans | -147.2 | 174.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 147 | T | 34.8 | Very low | 38.2 | Very low | 143 Ų | 143 | 126 Ų | 126 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | | | trans | 73.2 | 160.5 | 173.6 | 76.7 | 0 | 0 | 0 | 0 | 116.8 | | |
| 148 | P | 43.7 | Very low | 38.3 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | cis | -122.1 | 176.1 | -4.9 | 39.2 | -24.1 | 0 | 0 | 0 | 114.2 | | |
| 149 | G | 36.6 | Very low | 38.7 | Very low | 77 Ų | 77 | 128.3 Ų | 128.3 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | -104.4 | 165.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 150 | S | 33.4 | Very low | 39.5 | Very low | 91 Ų | 91 | 122.8 Ų | 122.8 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | | | trans | -163.6 | 119.4 | 164.8 | 175.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 151 | R | 34.9 | Very low | 40 | Very low | 235 Ų | 235 | 124.3 Ų | 124.3 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | | | trans | 51.7 | 112.6 | 137.8 | -54.4 | 172 | -171 | 128.8 | -2.2 | 120.4 | | |
| 152 | S | 41.6 | Very low | 39.4 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | | | trans | 5 | 132 | 130.5 | -177.7 | 0 | 0 | 0 | 0 | 118.8 | | |
| 153 | R | 38.1 | Very low | 39.2 | Very low | 239 Ų | 239 | 129.4 Ų | 129.4 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | | | trans | -162.1 | 118.9 | 135.8 | -105.1 | 163.7 | -158.1 | -154.1 | 4.3 | 111.8 | | |
| 154 | T | 39.4 | Very low | 39.7 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -68.5 | 145.2 | 154.5 | 49 | 0 | 0 | 0 | 0 | 109.9 | | |
| 155 | P | 40.4 | Very low | 40 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | | -143.9 | 168.2 | 111 | 38 | -24.5 | 0 | 0 | 0 | 111.7 | | |
| 156 | S | 32.5 | Very low | 40.2 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | cis | -163.1 | 158.9 | -15.8 | 43.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 157 | L | 39.3 | Very low | 40.8 | Very low | 137 Ų | 137 | 142.9 Ų | 142.9 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | | | trans | -64.2 | 162.6 | 176.6 | -141.4 | 60.4 | 0 | 0 | 0 | 112.1 | T159 | L157-T159 HydrophobicContact CD2-CG2 4.24Å; L157-T159 WeakPolarHBondContact CD2-OG1 3.42Å |
| 158 | P | 41.4 | Very low | 41.5 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | | | | -137.4 | 164.1 | 92.8 | 34.8 | -20.5 | 0 | 0 | 0 | 115.6 | | |
| 159 | T | 41.8 | Very low | 41.4 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | | | trans | -100.5 | -168.9 | -163.2 | -16.6 | 0 | 0 | 0 | 0 | 112.8 | L157 | L157-T159 HydrophobicContact CD2-CG2 4.24Å; L157-T159 WeakPolarHBondContact CD2-OG1 3.42Å |
| 160 | P | 49.8 | Very low | 41.9 | Very low | 108 Ų | 108 | 143 Ų | 143 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | trans | -97.8 | -169.4 | -131.6 | 42 | -26.3 | 0 | 0 | 0 | 114 | | |
| 161 | P | 47.4 | Very low | 42 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | | -145.3 | 146.3 | 96.5 | 38.9 | -24.1 | 0 | 0 | 0 | 116.9 | | |
| 162 | T | 35.9 | Very low | 42.6 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | | | trans | 38.7 | 115.6 | 142.4 | 65.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 163 | R | 41.6 | Very low | 43.1 | Very low | 237 Ų | 237 | 144.6 Ų | 144.6 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | | | | 166.4 | 117.9 | 104.1 | -91.5 | 179.6 | 172.4 | 178.3 | -3.3 | 110.4 | | |
| 164 | E | 42.1 | Very low | 43.8 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | trans | -68 | 144.7 | 155.3 | -59.5 | -172.1 | -150.5 | 0 | 0 | 108.6 | | |
| 165 | P | 48.9 | Very low | 44.3 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | | -136.4 | 145.6 | 94.1 | 36.4 | -25.4 | 0 | 0 | 0 | 114.3 | K167 | P165-K167 PolarHBondContact O-N 2.87Š|
| 166 | K | 48.1 | Very low | 44.7 | Very low | 185 Ų | 185 | 142.8 Ų | 142.8 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -41.2 | 117.5 | 171.9 | -62 | 162.5 | -176.8 | 172.2 | 0 | 112.5 | | |
| 167 | K | 44.7 | Very low | 45.3 | Very low | 201 Ų | 201 | 142.5 Ų | 142.5 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | | | trans | -127.2 | 119.8 | 153.7 | -74.9 | -161.3 | 172.9 | -172.8 | 0 | 110 | P165 A169 | P165-K167 PolarHBondContact O-N 2.87Å; K167-A169 PolarHBondContact O-N 2.76Å |
| 168 | V | 50.5 | Low | 45.9 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | | | trans | -69.5 | 113.8 | 178 | 176.5 | 0 | 0 | 0 | 0 | 108.5 | V170 | V168-V170 HydrophobicContact CG1-CG2 4.44Š|
| 169 | A | 40.5 | Very low | 46.1 | Very low | 89 Ų | 89 | 141.6 Ų | 141.6 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | | | trans | -107.8 | 112.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | K167 V171 | K167-A169 PolarHBondContact O-N 2.76Å; A169-V171 PolarHBondContact O-N 2.86Å; A169-V171 VanDerWaalsContact O-N 3.1Å |
| 170 | V | 47.3 | Very low | 46.2 | Very low | 121 Ų | 121 | 142 Ų | 142 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | | | trans | -66.8 | 108.2 | 179.8 | 173 | 0 | 0 | 0 | 0 | 109.1 | V168 R172 | V168-V170 HydrophobicContact CG1-CG2 4.44Å; V170-R172 PolarHBondContact O-N 2.85Å |
| 171 | V | 36.2 | Very low | 45.9 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | | | trans | -66.9 | 102.5 | 167.5 | 179.5 | 0 | 0 | 0 | 0 | 107.7 | A169 T173 | A169-V171 PolarHBondContact O-N 2.86Å; A169-V171 VanDerWaalsContact O-N 3.1Å; V171-T173 HydrophobicContact CG1-CG2 4.19Å; V171-T173 PolarHBondContact O-N 2.85Å |
| 172 | R | 47.8 | Very low | 46 | Very low | 236 Ų | 236 | 145 Ų | 145 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | | | trans | -68.7 | 83.5 | 168.9 | -79.6 | 178.4 | 137.7 | 150.6 | -5.4 | 109.3 | V170 | V170-R172 PolarHBondContact O-N 2.85Š|
| 173 | T | 52.3 | Low | 46.1 | Very low | 109 Ų | 109 | 145.3 Ų | 145.3 | 67% | 0.669 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 140.1 | 160.8 | 44.8 | 0 | 0 | 0 | 0 | 109.3 | V171 | V171-T173 HydrophobicContact CG1-CG2 4.19Å; V171-T173 PolarHBondContact O-N 2.85Å |
| 174 | P | 51.8 | Low | 46.7 | Very low | 116 Ų | 116 | 145 Ų | 145 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 142.9 | 164.7 | -23.1 | 34 | 0 | 0 | 0 | 109.9 | K176 | P174-K176 PolarHBondContact O-N 2.96Š|
| 175 | P | 49.5 | Very low | 46.5 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 132.4 | -170.9 | 25.3 | -34 | 0 | 0 | 0 | 111.6 | S177 | P175-S177 PolarHBondContact O-N 3.09Š|
| 176 | K | 49.6 | Very low | 46.6 | Very low | 205 Ų | 205 | 148.2 Ų | 148.2 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 132.7 | 163.4 | -77.8 | 173.8 | 175.8 | 172 | 0 | 108.7 | P174 | P174-K176 PolarHBondContact O-N 2.96Š|
| 177 | S | 44.6 | Very low | 46.1 | Very low | 109 Ų | 109 | 145.2 Ų | 145.2 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 144.8 | 169.6 | 34.7 | 0 | 0 | 0 | 0 | 111.2 | P175 S179 | P175-S177 PolarHBondContact O-N 3.09Å; S177-S179 PolarHBondContact O-N 3.12Å |
| 178 | P | 51.9 | Low | 46.8 | Very low | 129 Ų | 129 | 139 Ų | 139 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 118.5 | -170.6 | 27.6 | -34.1 | 0 | 0 | 0 | 111.5 | | |
| 179 | S | 45.6 | Very low | 46.8 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 120.9 | 162.2 | 179.1 | 0 | 0 | 0 | 0 | 109 | S177 | S177-S179 PolarHBondContact O-N 3.12Š|
| 180 | S | 43.5 | Very low | 47.5 | Very low | 120 Ų | 120 | 140 Ų | 140 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 124 | 160.8 | 57.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 181 | A | 44.2 | Very low | 48.4 | Very low | 81 Ų | 81 | 139.7 Ų | 139.7 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 130.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 182 | K | 49.5 | Very low | 49 | Very low | 204 Ų | 204 | 142.2 Ų | 142.2 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | | | trans | 66.4 | 100.2 | 156.6 | -59.2 | 171.7 | -177.7 | 172.3 | 0 | 117.7 | | |
| 183 | S | 38 | Very low | 49.9 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | | -119.7 | 130.2 | 119.2 | -173.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 184 | R | 53.3 | Low | 50.5 | Low | 232 Ų | 232 | 136.4 Ų | 136.4 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | | | trans | -98.4 | 108.1 | -175.9 | 167.1 | -168.6 | -100.2 | 169.7 | -8.7 | 108.7 | | |
| 185 | L | 39.1 | Very low | 51.1 | Low | 155 Ų | 155 | 137.3 Ų | 137.3 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | | | trans | -143.9 | 123.3 | 153.9 | -85.3 | 176 | 0 | 0 | 0 | 109.2 | | |
| 186 | Q | 51.2 | Low | 51.8 | Low | 194 Ų | 194 | 138.9 Ų | 138.9 | 91% | 0.907 | 78% | 0.78 | S | S | * | * | | | trans | -76.5 | 117.8 | 163.9 | -69.8 | 176.7 | -15.4 | 0 | 0 | 107.2 | | |
| 187 | T | 37.7 | Very low | 52.3 | Low | 121 Ų | 121 | 136.6 Ų | 136.6 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | | | trans | -98.1 | 96.6 | 172.1 | -47.4 | 0 | 0 | 0 | 0 | 108.6 | V190 | T187-V190 HydrophobicContact CG2-CG2 4.41Š|
| 188 | A | 59.2 | Low | 53 | Low | 71 Ų | 71 | 137.1 Ų | 137.1 | 59% | 0.587 | 78% | 0.775 | S | S | * | * | | | trans | -60.3 | 156.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | V190 | A188-V190 PolarHBondContact O-N 3.14Š|
| 189 | P | 49.3 | Very low | 53.5 | Low | 130 Ų | 130 | 139.9 Ų | 139.9 | 84% | 0.844 | 77% | 0.774 | S | S | * | * | | | trans | -62.8 | 108 | 176.4 | 26.4 | -34.1 | 0 | 0 | 0 | 109.7 | | |
| 190 | V | 57 | Low | 54.1 | Low | 121 Ų | 121 | 138 Ų | 138 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 127 | -177.4 | -154.4 | 0 | 0 | 0 | 0 | 108.9 | T187 A188 | T187-V190 HydrophobicContact CG2-CG2 4.41Å; A188-V190 PolarHBondContact O-N 3.14Å |
| 191 | P | 64.9 | Low | 55 | Low | 113 Ų | 113 | 142.5 Ų | 142.5 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 141 | 172.6 | -19.6 | 32 | 0 | 0 | 0 | 110.2 | | |
| 192 | M | 49.2 | Very low | 55.5 | Low | 175 Ų | 175 | 144.5 Ų | 144.5 | 86% | 0.862 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 141.6 | 176 | -67.3 | -140.8 | -55 | 0 | 0 | 110.9 | D194 | M192-D194 PolarHBondContact O-N 3.31Š|
| 193 | P | 67.7 | Low | 55.8 | Low | 112 Ų | 112 | 137 Ų | 137 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 134.2 | -178.4 | 23.9 | -30.8 | 0 | 0 | 0 | 111.3 | L195 | P193-L195 PolarHBondContact O-N 3.29Š|
| 194 | D | 64.9 | Low | 56.5 | Low | 110 Ų | 110 | 135 Ų | 135 | 59% | 0.588 | 73% | 0.73 | S | S | * | * | | | trans | -77.4 | 110.5 | -172.6 | -163.3 | -0.6 | 0 | 0 | 0 | 111.5 | M192 K196 | M192-D194 PolarHBondContact O-N 3.31Å; D194-K196 PolarHBondContact O-N 3.39Å; D194-K196 VanDerWaalsContact O-N 3.13Å; D194-K196 VanDerWaalsContact OD1-CD 3.25Å; D194-K196 WeakPolarHBondContact OD1-CD 2.8Å; D194-K196 WeakPolarHBondContact OD1-CE 3.5Å; D194-K196 VanDerWaalsContact OD1-CG 3.29Å; D194-K196 WeakPolarHBondContact OD1-CG 3.23Å; D194-K196 IonicContact OD1-NZ 3.78Å; D194-K196 PolarHBondContact OD1-NZ 2.88Å; D194-K196 WeakPolarHBondContact OD2-CD 3.33Å; D194-K196 VanDerWaalsContact OD2-CE 3.32Å; D194-K196 WeakPolarHBondContact OD2-CE 3.13Å; D194-K196 IonicContact OD2-NZ 2.62Å; D194-K196 PolarHBondContact OD2-NZ 3.17Å |
| 195 | L | 63.9 | Low | 56.7 | Low | 135 Ų | 135 | 129.6 Ų | 129.6 | 71% | 0.707 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -74 | -0 | -170.6 | -69.5 | 169.9 | 0 | 0 | 0 | 114.8 | P193 N197 V198 | P193-L195 PolarHBondContact O-N 3.29Å; L195-N197 PolarHBondContact O-N 3.27Å; L195-V198 HydrophobicContact CD2-CG2 4.19Å; L195-V198 PolarHBondContact O-N 2.98Å |
| 196 | K | 63.8 | Low | 57.6 | Low | 162 Ų | 162 | 129.8 Ų | 129.8 | 70% | 0.704 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -59 | -22.7 | -168.2 | -72 | 166.8 | -162.5 | 149.4 | 0 | 115.5 | D194 | D194-K196 PolarHBondContact O-N 3.39Å; D194-K196 VanDerWaalsContact O-N 3.13Å; D194-K196 VanDerWaalsContact OD1-CD 3.25Å; D194-K196 WeakPolarHBondContact OD1-CD 2.8Å; D194-K196 WeakPolarHBondContact OD1-CE 3.5Å; D194-K196 VanDerWaalsContact OD1-CG 3.29Å; D194-K196 WeakPolarHBondContact OD1-CG 3.23Å; D194-K196 IonicContact OD1-NZ 3.78Å; D194-K196 PolarHBondContact OD1-NZ 2.88Å; D194-K196 WeakPolarHBondContact OD2-CD 3.33Å; D194-K196 VanDerWaalsContact OD2-CE 3.32Å; D194-K196 WeakPolarHBondContact OD2-CE 3.13Å; D194-K196 IonicContact OD2-NZ 2.62Å; D194-K196 PolarHBondContact OD2-NZ 3.17Å |
| 197 | N | 60.7 | Low | 57.7 | Low | 157 Ų | 157 | 128.1 Ų | 128.1 | 84% | 0.84 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -114.3 | 13.2 | -176.1 | -65.6 | -19.1 | 0 | 0 | 0 | 114.4 | L195 K199 | L195-N197 PolarHBondContact O-N 3.27Å; N197-K199 VanDerWaalsContact C-N 3.34Å; N197-K199 PolarHBondContact O-N 2.94Å |
| 198 | V | 57.8 | Low | 58.6 | Low | 119 Ų | 119 | 128.4 Ų | 128.4 | 72% | 0.721 | 71% | 0.714 | S | S | * | * | | | trans | -78.4 | 82.9 | 175.6 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | L195 | L195-V198 HydrophobicContact CD2-CG2 4.19Å; L195-V198 PolarHBondContact O-N 2.98Å |
| 199 | K | 63.2 | Low | 58.4 | Low | 187 Ų | 187 | 135.1 Ų | 135.1 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | | | trans | -84.3 | 127.7 | 168.9 | 173.9 | 173.6 | 174.7 | 178.4 | 0 | 110.2 | N197 | N197-K199 VanDerWaalsContact C-N 3.34Å; N197-K199 PolarHBondContact O-N 2.94Å |
| 200 | S | 59.1 | Low | 58.8 | Low | 77 Ų | 77 | 135.1 Ų | 135.1 | 54% | 0.538 | 72% | 0.718 | S | S | . | * | | | trans | -60.1 | 136 | 171 | -174.6 | 0 | 0 | 0 | 0 | 111.2 | I202 | S200-I202 VanDerWaalsContact OG-CG1 3.3Å; S200-I202 WeakPolarHBondContact OG-CG1 3.29Å; S200-I202 PolarHBondContact OG-N 3.27Å |
| 201 | K | 62.4 | Low | 58.7 | Low | 215 Ų | 215 | 137.6 Ų | 137.6 | 94% | 0.935 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -88.3 | -4.6 | 177.1 | -71.8 | -171.6 | 177 | -177.3 | 0 | 114 | | |
| 202 | I | 53.8 | Low | 58.2 | Low | 123 Ų | 123 | 137 Ų | 137 | 63% | 0.631 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -92.9 | 135.5 | 169.3 | 60.3 | 165.7 | 0 | 0 | 0 | 109.5 | S200 S204 | S200-I202 VanDerWaalsContact OG-CG1 3.3Å; S200-I202 WeakPolarHBondContact OG-CG1 3.29Å; S200-I202 PolarHBondContact OG-N 3.27Å; I202-S204 PolarHBondContact O-N 3.35Å |
| 203 | G | 56.3 | Low | 58.2 | Low | 46 Ų | 46 | 132.2 Ų | 132.2 | 47% | 0.474 | 71% | 0.713 | S | S | . | * | | | trans | -69.5 | 38.6 | -180 | 0 | 0 | 0 | 0 | 0 | 114.9 | T205 E206 | G203-T205 PolarHBondContact O-N 2.93Å; G203-E206 WeakPolarHBondContact CA-OE1 3.29Å; G203-E206 PolarHBondContact O-N 3.03Å |
| 204 | S | 52.1 | Low | 57.4 | Low | 80 Ų | 80 | 130.5 Ų | 130.5 | 56% | 0.559 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 20.8 | -167.6 | -169.3 | 0 | 0 | 0 | 0 | 114.8 | I202 | I202-S204 PolarHBondContact O-N 3.35Š|
| 205 | T | 57.7 | Low | 56.3 | Low | 118 Ų | 118 | 128.2 Ų | 128.2 | 72% | 0.724 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.1 | -4 | 178.2 | 56.3 | 0 | 0 | 0 | 0 | 113.3 | G203 N207 | G203-T205 PolarHBondContact O-N 2.93Å; T205-N207 VanDerWaalsContact C-N 3.27Å; T205-N207 PolarHBondContact O-N 2.85Å |
| 206 | E | 58.1 | Low | 55.8 | Low | 159 Ų | 159 | 131.6 Ų | 131.6 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -13.9 | -168 | -65.8 | 173.6 | -143.1 | 0 | 0 | 113.9 | G203 | G203-E206 WeakPolarHBondContact CA-OE1 3.29Å; G203-E206 PolarHBondContact O-N 3.03Å |
| 207 | N | 53.3 | Low | 55.4 | Low | 159 Ų | 159 | 130 Ų | 130 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.7 | 9.8 | 178 | -93.4 | -42.9 | 0 | 0 | 0 | 115.3 | T205 K209 | T205-N207 VanDerWaalsContact C-N 3.27Å; T205-N207 PolarHBondContact O-N 2.85Å; N207-K209 PolarHBondContact O-N 3.12Å |
| 208 | L | 56.9 | Low | 54.8 | Low | 128 Ų | 128 | 130.2 Ų | 130.2 | 67% | 0.67 | 73% | 0.726 | S | S | * | * | | | trans | -86.1 | 89.8 | 172.6 | -87 | 84.4 | 0 | 0 | 0 | 111 | H210 | L208-H210 PolarHBondContact O-N 3.13Š|
| 209 | K | 55.3 | Low | 54.8 | Low | 211 Ų | 211 | 131.9 Ų | 131.9 | 92% | 0.917 | 73% | 0.73 | S | S | * | * | | | trans | -73.1 | 29.1 | 161.1 | -65.3 | -138.7 | -179.9 | -173.8 | 0 | 113.1 | N207 Q211 | N207-K209 PolarHBondContact O-N 3.12Å; K209-Q211 PolarHBondContact O-N 2.62Å |
| 210 | H | 56.7 | Low | 54.5 | Low | 131 Ų | 131 | 128.5 Ų | 128.5 | 61% | 0.606 | 72% | 0.72 | S | S | * | * | | | trans | -87.8 | 98.9 | 176.6 | 179.9 | -103.8 | 0 | 0 | 0 | 109.1 | L208 P212 | L208-H210 PolarHBondContact O-N 3.13Å; H210-P212 VanDerWaalsContact O-CD 3.22Å; H210-P212 WeakPolarHBondContact O-CD 3.39Å |
| 211 | Q | 55.9 | Low | 54.3 | Low | 172 Ų | 172 | 131.9 Ų | 131.9 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | | | trans | -66.5 | 113.7 | 165.1 | -140.8 | 70.5 | 25.8 | 0 | 0 | 107.3 | K209 G213 | K209-Q211 PolarHBondContact O-N 2.62Å; Q211-G213 PolarHBondContact O-N 3.1Å |
| 212 | P | 53.2 | Low | 53.8 | Low | 101 Ų | 101 | 129.5 Ų | 129.5 | 66% | 0.656 | 72% | 0.721 | S | S | * | * | | | trans | -69.2 | 101.3 | -179.1 | 28.1 | -33 | 0 | 0 | 0 | 108.9 | H210 G214 | H210-P212 VanDerWaalsContact O-CD 3.22Å; H210-P212 WeakPolarHBondContact O-CD 3.39Å; P212-G214 PolarHBondContact O-N 3.31Å |
| 213 | G | 50.6 | Low | 54.1 | Low | 74 Ų | 74 | 131.3 Ų | 131.3 | 76% | 0.763 | 72% | 0.724 | S | S | * | * | | | trans | -59.7 | 103.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q211 G215 | Q211-G213 PolarHBondContact O-N 3.1Å; G213-G215 VanDerWaalsContact C-N 3.28Å; G213-G215 PolarHBondContact O-N 3.33Å |
| 214 | G | 49.2 | Very low | 54.1 | Low | 76 Ų | 76 | 135 Ų | 135 | 78% | 0.784 | 73% | 0.733 | S | S | * | * | | | trans | -65.6 | 80.9 | -175 | 0 | 0 | 0 | 0 | 0 | 112.7 | P212 K216 | P212-G214 PolarHBondContact O-N 3.31Å; G214-K216 PolarHBondContact O-N 2.85Å; G214-K216 VanDerWaalsContact O-N 3.12Å |
| 215 | G | 42.1 | Very low | 54.1 | Low | 62 Ų | 62 | 137.3 Ų | 137.3 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | | | trans | -64.6 | 107.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G213 V217 | G213-G215 VanDerWaalsContact C-N 3.28Å; G213-G215 PolarHBondContact O-N 3.33Å; G215-V217 VanDerWaalsContact C-N 3.32Å; G215-V217 PolarHBondContact O-N 3.25Å |
| 216 | K | 54 | Low | 53.9 | Low | 207 Ų | 207 | 136.1 Ų | 136.1 | 90% | 0.9 | 73% | 0.727 | S | S | * | * | | | trans | -63.8 | 90.7 | 171.7 | -65.9 | 174.5 | -178.3 | 174.5 | 0 | 109 | G214 Q218 | G214-K216 PolarHBondContact O-N 2.85Å; G214-K216 VanDerWaalsContact O-N 3.12Å; K216-Q218 VanDerWaalsContact C-N 3.28Å; K216-Q218 PolarHBondContact O-N 3.16Å |
| 217 | V | 54.5 | Low | 53.9 | Low | 127 Ų | 127 | 132.7 Ų | 132.7 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | | | trans | -68.4 | 91.8 | 172.9 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | G215 I219 | G215-V217 VanDerWaalsContact C-N 3.32Å; G215-V217 PolarHBondContact O-N 3.25Å; V217-I219 HydrophobicContact CG1-CG1 4.35Å; V217-I219 PolarHBondContact O-N 3.43Å |
| 218 | Q | 48.9 | Very low | 54 | Low | 162 Ų | 162 | 130.7 Ų | 130.7 | 76% | 0.757 | 71% | 0.71 | S | S | * | * | | | trans | -74.3 | 98.5 | 177.2 | -139.9 | 170.5 | 15.3 | 0 | 0 | 107.6 | K216 I220 | K216-Q218 VanDerWaalsContact C-N 3.28Å; K216-Q218 PolarHBondContact O-N 3.16Å; Q218-I220 HydrophobicContact CB-CG1 4.2Å; Q218-I220 HydrophobicContact CG-CG1 4.27Å; Q218-I220 PolarHBondContact O-N 2.65Å |
| 219 | I | 58.3 | Low | 53.7 | Low | 155 Ų | 155 | 128.7 Ų | 128.7 | 80% | 0.795 | 70% | 0.703 | S | S | * | * | | | trans | -72 | 81.4 | 173 | -57 | 175.4 | 0 | 0 | 0 | 107.4 | V217 N221 | V217-I219 HydrophobicContact CG1-CG1 4.35Å; V217-I219 PolarHBondContact O-N 3.43Å; I219-N221 PolarHBondContact O-N 3.32Å |
| 220 | I | 56.7 | Low | 53.8 | Low | 116 Ų | 116 | 123.9 Ų | 123.9 | 60% | 0.595 | 68% | 0.684 | S | S | * | * | | | trans | -75.9 | 96.7 | 176 | -50 | 177.8 | 0 | 0 | 0 | 107.2 | Q218 K222 | Q218-I220 HydrophobicContact CB-CG1 4.2Å; Q218-I220 HydrophobicContact CG-CG1 4.27Å; Q218-I220 PolarHBondContact O-N 2.65Å; I220-K222 HydrophobicContact CG2-CB 3.81Å; I220-K222 HydrophobicContact CG2-CG 4.34Å; I220-K222 PolarHBondContact O-N 2.62Å |
| 221 | N | 54.8 | Low | 53.6 | Low | 147 Ų | 147 | 122.7 Ų | 122.7 | 79% | 0.786 | 69% | 0.691 | S | S | * | * | | | trans | -66.4 | 78 | 158.1 | -178.9 | 15.6 | 0 | 0 | 0 | 108.1 | I219 K223 | I219-N221 PolarHBondContact O-N 3.32Å; N221-K223 PolarHBondContact O-N 3.15Å |
| 222 | K | 51.8 | Low | 53.7 | Low | 165 Ų | 165 | 122.5 Ų | 122.5 | 72% | 0.717 | 69% | 0.687 | S | S | * | * | | | trans | -77.2 | 68.2 | 177.4 | -155.6 | 174 | -173.8 | 177.1 | 0 | 108.5 | I220 L224 | I220-K222 HydrophobicContact CG2-CB 3.81Å; I220-K222 HydrophobicContact CG2-CG 4.34Å; I220-K222 PolarHBondContact O-N 2.62Å; K222-L224 PolarHBondContact O-N 3.32Å |
| 223 | K | 59.7 | Low | 53.8 | Low | 162 Ų | 162 | 122.3 Ų | 122.3 | 70% | 0.704 | 69% | 0.687 | S | S | * | * | | | trans | -43.6 | 117.7 | 147.4 | 179.4 | 175.3 | -176.1 | -68.9 | 0 | 104.6 | N221 D225 | N221-K223 PolarHBondContact O-N 3.15Å; K223-D225 PolarHBondContact O-N 3.29Å; K223-D225 VanDerWaalsContact O-N 3.17Å |
| 224 | L | 55.7 | Low | 54 | Low | 124 Ų | 124 | 121 Ų | 121 | 65% | 0.649 | 67% | 0.673 | S | S | * | * | | | trans | -46.1 | 130.3 | -177.6 | -76 | 164.9 | 0 | 0 | 0 | 107.5 | K222 L226 | K222-L224 PolarHBondContact O-N 3.32Å; L224-L226 HydrophobicContact CB-CD1 4.31Å; L224-L226 HydrophobicContact CB-CD2 3.62Å; L224-L226 HydrophobicContact CB-CG 3.68Å; L224-L226 HydrophobicContact CD1-CD2 4.27Å; L224-L226 WeakPolarHBondContact O-CG 3.21Å; L224-L226 PolarHBondContact O-N 2.88Å |
| 225 | D | 53.8 | Low | 54.2 | Low | 128 Ų | 128 | 120.9 Ų | 120.9 | 68% | 0.684 | 66% | 0.661 | S | S | * | * | | | trans | -74.9 | 78.9 | 175.9 | -170.3 | -7.4 | 0 | 0 | 0 | 107.2 | K223 S227 | K223-D225 PolarHBondContact O-N 3.29Å; K223-D225 VanDerWaalsContact O-N 3.17Å; D225-S227 PolarHBondContact O-N 3.01Å; D225-S227 VanDerWaalsContact OD1-CB 3.29Å; D225-S227 WeakPolarHBondContact OD1-CB 3.22Å; D225-S227 PolarHBondContact OD1-N 2.99Å; D225-S227 PolarHBondContact OD1-OG 3.36Å |
| 226 | L | 51.8 | Low | 54.8 | Low | 92 Ų | 92 | 126.6 Ų | 126.6 | 48% | 0.482 | 67% | 0.668 | S | S | . | * | | | trans | -79 | 32.4 | -177.8 | -64.4 | 176.7 | 0 | 0 | 0 | 110.5 | L224 N228 V229 | L224-L226 HydrophobicContact CB-CD1 4.31Å; L224-L226 HydrophobicContact CB-CD2 3.62Å; L224-L226 HydrophobicContact CB-CG 3.68Å; L224-L226 HydrophobicContact CD1-CD2 4.27Å; L224-L226 WeakPolarHBondContact O-CG 3.21Å; L224-L226 PolarHBondContact O-N 2.88Å; L226-N228 PolarHBondContact O-N 2.94Å; L226-N228 VanDerWaalsContact O-N 3.08Å; L226-V229 HydrophobicContact CB-CB 4.04Å; L226-V229 HydrophobicContact CB-CG2 3.57Å; L226-V229 HydrophobicContact CD1-CG2 4.14Å; L226-V229 HydrophobicContact CD2-CG2 3.54Å; L226-V229 HydrophobicContact CG-CG2 3.88Å; L226-V229 PolarHBondContact O-N 2.76Å |
| 227 | S | 59 | Low | 55 | Low | 88 Ų | 88 | 120.9 Ų | 120.9 | 62% | 0.615 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -10.4 | 175 | 37.2 | 0 | 0 | 0 | 0 | 113.3 | D225 | D225-S227 PolarHBondContact O-N 3.01Å; D225-S227 VanDerWaalsContact OD1-CB 3.29Å; D225-S227 WeakPolarHBondContact OD1-CB 3.22Å; D225-S227 PolarHBondContact OD1-N 2.99Å; D225-S227 PolarHBondContact OD1-OG 3.36Å |
| 228 | N | 54.9 | Low | 55.2 | Low | 116 Ų | 116 | 120.8 Ų | 120.8 | 62% | 0.62 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | 17.9 | 168.3 | -58.6 | -39.9 | 0 | 0 | 0 | 114.1 | L226 Q230 | L226-N228 PolarHBondContact O-N 2.94Å; L226-N228 VanDerWaalsContact O-N 3.08Å; N228-Q230 PolarHBondContact O-N 2.89Å; N228-Q230 VanDerWaalsContact O-N 3.16Å |
| 229 | V | 50.1 | Low | 55.9 | Low | 87 Ų | 87 | 117.5 Ų | 117.5 | 53% | 0.527 | 63% | 0.629 | S | S | . | * | | | trans | -76.6 | 102.3 | 166.3 | 168.2 | 0 | 0 | 0 | 0 | 108.7 | L226 S231 | L226-V229 HydrophobicContact CB-CB 4.04Å; L226-V229 HydrophobicContact CB-CG2 3.57Å; L226-V229 HydrophobicContact CD1-CG2 4.14Å; L226-V229 HydrophobicContact CD2-CG2 3.54Å; L226-V229 HydrophobicContact CG-CG2 3.88Å; L226-V229 PolarHBondContact O-N 2.76Å; V229-S231 PolarHBondContact O-N 3.12Å |
| 230 | Q | 57.8 | Low | 56.1 | Low | 109 Ų | 109 | 115.2 Ų | 115.2 | 51% | 0.509 | 61% | 0.613 | S | S | . | * | | | trans | -67.2 | 97.5 | 166.5 | -72.9 | -177.9 | -5.9 | 0 | 0 | 109.2 | N228 K232 C233 V255 | N228-Q230 PolarHBondContact O-N 2.89Å; N228-Q230 VanDerWaalsContact O-N 3.16Å; Q230-K232 VanDerWaalsContact C-N 3.32Å; Q230-K232 PolarHBondContact O-N 2.85Å; Q230-C233 HydrophobicContact CB-CB 4.26Å; Q230-V255 VanDerWaalsContact NE2-CG1 3.26Å |
| 231 | S | 52.5 | Low | 56.1 | Low | 107 Ų | 107 | 113.9 Ų | 113.9 | 75% | 0.748 | 60% | 0.604 | S | S | * | * | | | trans | -66.3 | 88.9 | 174.1 | 57.2 | 0 | 0 | 0 | 0 | 110.3 | V229 C233 | V229-S231 PolarHBondContact O-N 3.12Å; S231-C233 VanDerWaalsContact C-N 3.32Å; S231-C233 PolarHBondContact O-N 3.05Å |
| 232 | K | 59.1 | Low | 56.4 | Low | 167 Ų | 167 | 110 Ų | 110 | 73% | 0.726 | 59% | 0.586 | S | S | * | * | S | Bend | trans | 47 | 49.7 | 174.8 | -66.9 | -166 | 175.3 | -167.9 | 0 | 113.8 | Q230 G234 S235 | Q230-K232 VanDerWaalsContact C-N 3.32Å; Q230-K232 PolarHBondContact O-N 2.85Å; K232-G234 PolarHBondContact O-N 3.17Å; K232-S235 PolarHBondContact O-N 2.85Å; K232-S235 VanDerWaalsContact O-N 3.15Å |
| 233 | C | 54.2 | Low | 56.3 | Low | 98 Ų | 98 | 105.8 Ų | 105.8 | 66% | 0.662 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | 108.4 | 174.5 | -167.5 | 0 | 0 | 0 | 0 | 109.5 | Q230 S231 | Q230-C233 HydrophobicContact CB-CB 4.26Å; S231-C233 VanDerWaalsContact C-N 3.32Å; S231-C233 PolarHBondContact O-N 3.05Å |
| 234 | G | 55.7 | Low | 56.3 | Low | 45 Ų | 45 | 99.9 Ų | 99.9 | 46% | 0.464 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 103.1 | -5.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | K232 K236 | K232-G234 PolarHBondContact O-N 3.17Å; G234-K236 VanDerWaalsContact C-N 3.31Å; G234-K236 PolarHBondContact O-N 3.16Å |
| 235 | S | 51.8 | Low | 56 | Low | 75 Ų | 75 | 95.7 Ų | 95.7 | 52% | 0.524 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 16.6 | -165.4 | 106 | 0 | 0 | 0 | 0 | 117.8 | K232 | K232-S235 PolarHBondContact O-N 2.85Å; K232-S235 VanDerWaalsContact O-N 3.15Å |
| 236 | K | 56.1 | Low | 56.3 | Low | 182 Ų | 182 | 92.7 Ų | 92.7 | 79% | 0.791 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146 | 25.6 | 176 | -75.4 | -159.6 | 174.1 | -170.6 | 0 | 114.3 | G234 N238 | G234-K236 VanDerWaalsContact C-N 3.31Å; G234-K236 PolarHBondContact O-N 3.16Å; K236-N238 PolarHBondContact O-N 3.08Å |
| 237 | D | 58 | Low | 56.2 | Low | 87 Ų | 87 | 90.9 Ų | 90.9 | 47% | 0.465 | 54% | 0.541 | S | S | . | . | | | trans | -76.7 | 86.7 | -178.5 | -68.4 | -24.3 | 0 | 0 | 0 | 111.6 | I239 K253 | D237-I239 HydrophobicContact CB-CD1 4.28Å; D237-I239 HydrophobicContact CB-CG1 4.09Å; D237-I239 PolarHBondContact O-N 3.42Å; D237-K253 VanDerWaalsContact CG-NZ 3.3Å; D237-K253 IonicContact OD1-NZ 3.72Å; D237-K253 IonicContact OD2-NZ 3.62Å; D237-K253 PolarHBondContact OD2-NZ 3.07Å |
| 238 | N | 58.8 | Low | 56.2 | Low | 125 Ų | 125 | 91.8 Ų | 91.8 | 67% | 0.668 | 54% | 0.543 | S | S | * | . | | | trans | -70.4 | 70.8 | 168.3 | -93.8 | -9.4 | 0 | 0 | 0 | 110.5 | K236 K240 | K236-N238 PolarHBondContact O-N 3.08Å; N238-K240 PolarHBondContact O-N 2.77Å |
| 239 | I | 64 | Low | 56.4 | Low | 93 Ų | 93 | 91.8 Ų | 91.8 | 48% | 0.477 | 54% | 0.539 | S | S | . | . | | | trans | -79 | 77.4 | 174.3 | -52.1 | 176.6 | 0 | 0 | 0 | 108.3 | D237 V251 | D237-I239 HydrophobicContact CB-CD1 4.28Å; D237-I239 HydrophobicContact CB-CG1 4.09Å; D237-I239 PolarHBondContact O-N 3.42Å; I239-V251 HydrophobicContact CD1-CG2 4.39Å |
| 240 | K | 62.3 | Low | 57.1 | Low | 107 Ų | 107 | 92.1 Ų | 92.1 | 47% | 0.465 | 54% | 0.537 | S | S | . | . | | | trans | -87.5 | 107 | 172.5 | -76.7 | -177.8 | 162.6 | -171.9 | 0 | 109.6 | N238 L299 D300 | N238-K240 PolarHBondContact O-N 2.77Å; K240-L299 PolarHBondContact NZ-O 2.91Å; K240-D300 WeakPolarHBondContact CD-OD2 3.4Å; K240-D300 IonicContact NZ-OD1 2.76Å; K240-D300 PolarHBondContact NZ-OD1 2.96Å; K240-D300 IonicContact NZ-OD2 2.87Å; K240-D300 PolarHBondContact NZ-OD2 3.22Å; K240-D300 VanDerWaalsContact NZ-OD2 3.12Å |
| 241 | H | 56.3 | Low | 57.4 | Low | 87 Ų | 87 | 90.2 Ų | 90.2 | 40% | 0.403 | 53% | 0.533 | S | S | . | . | | | trans | -114 | 126.5 | 174.2 | 179.9 | -110.9 | 0 | 0 | 0 | 109 | S247 | H241-S247 PolarHBondContact CE1-OG 2.97Š|
| 242 | V | 60.2 | Low | 57.6 | Low | 66 Ų | 66 | 91.7 Ų | 91.7 | 40% | 0.4 | 52% | 0.523 | S | S | . | . | | | trans | -117.8 | 98.9 | 174.5 | -174.4 | 0 | 0 | 0 | 0 | 108.8 | G244 I296 L299 | V242-G244 PolarHBondContact O-N 3.08Å; V242-I296 HydrophobicContact CB-CD1 3.84Å; V242-I296 HydrophobicContact CG1-CD1 3.46Å; V242-I296 VanDerWaalsContact CG1-CD1 3.46Å; V242-I296 HydrophobicContact CG1-CG1 3.97Å; V242-L299 HydrophobicContact CB-CD1 4.47Å; V242-L299 HydrophobicContact CG2-CD1 3.54Å; V242-L299 HydrophobicContact CG2-CD2 4.14Å |
| 243 | P | 51.6 | Low | 58 | Low | 77 Ų | 77 | 89.2 Ų | 89.2 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | | | trans | -75.1 | 113.9 | -172.9 | 27.3 | -32.6 | 0 | 0 | 0 | 111.7 | G245 S247 | P243-G245 PolarHBondContact O-N 2.94Å; P243-S247 WeakPolarHBondContact CB-OG 2.99Å |
| 244 | G | 59.5 | Low | 58.4 | Low | 37 Ų | 37 | 88.6 Ų | 88.6 | 38% | 0.381 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -74.9 | 36.6 | 163 | 0 | 0 | 0 | 0 | 0 | 113.2 | V242 V292 | V242-G244 PolarHBondContact O-N 3.08Å; G244-V292 WeakPolarHBondContact O-CG1 3.07Å |
| 245 | G | 48.5 | Very low | 58.8 | Low | 37 Ų | 37 | 90.1 Ų | 90.1 | 38% | 0.381 | 51% | 0.507 | S | S | . | . | S | Bend | trans | 93.2 | 149.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | P243 S247 | P243-G245 PolarHBondContact O-N 2.94Å; G245-S247 PolarHBondContact O-N 3.21Å; G245-S247 PolarHBondContact O-OG 2.96Å |
| 246 | G | 59.2 | Low | 59.3 | Low | 64 Ų | 64 | 92.4 Ų | 92.4 | 66% | 0.66 | 51% | 0.513 | S | S | * | . | S | Bend | trans | 62.5 | 34.5 | 159 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 247 | S | 50.6 | Low | 59.5 | Low | 54 Ų | 54 | 89.4 Ų | 89.4 | 38% | 0.378 | 51% | 0.505 | S | S | . | . | | | trans | -130.2 | 117.2 | -174.7 | 27.2 | 0 | 0 | 0 | 0 | 114.1 | H241 P243 G245 | H241-S247 PolarHBondContact CE1-OG 2.97Å; P243-S247 WeakPolarHBondContact CB-OG 2.99Å; G245-S247 PolarHBondContact O-N 3.21Å; G245-S247 PolarHBondContact O-OG 2.96Å |
| 248 | V | 59.4 | Low | 59.6 | Low | 108 Ų | 108 | 89.9 Ų | 89.9 | 66% | 0.655 | 52% | 0.516 | S | S | * | . | | | trans | -107.6 | 115.4 | 172.9 | 173.7 | 0 | 0 | 0 | 0 | 108.3 | I250 V281 | V248-I250 HydrophobicContact CG1-CD1 3.95Å; V248-I250 HydrophobicContact CG1-CG1 3.87Å; V248-V281 HydrophobicContact CB-CG1 4.3Å; V248-V281 HydrophobicContact CG1-CG1 4.14Å; V248-V281 HydrophobicContact CG1-CG2 4.14Å |
| 249 | Q | 58.7 | Low | 59.5 | Low | 116 Ų | 116 | 91.3 Ų | 91.3 | 54% | 0.542 | 52% | 0.516 | S | S | . | . | | | trans | -111.9 | 107.8 | 178.6 | -171.5 | 179.2 | 32 | 0 | 0 | 109.9 | V251 | Q249-V251 HydrophobicContact CG-CG2 4.08Š|
| 250 | I | 64.5 | Low | 59.1 | Low | 93 Ų | 93 | 92.4 Ų | 92.4 | 48% | 0.477 | 53% | 0.527 | S | S | . | . | | | trans | -108.2 | 108.5 | 177.9 | -55 | 177.4 | 0 | 0 | 0 | 109.6 | V248 Y252 V279 V281 | V248-I250 HydrophobicContact CG1-CD1 3.95Å; V248-I250 HydrophobicContact CG1-CG1 3.87Å; I250-Y252 PolarHBondContact O-N 3.26Å; I250-V279 HydrophobicContact CB-CG1 4.03Å; I250-V279 HydrophobicContact CD1-CG1 3.35Å; I250-V279 HydrophobicContact CG1-CG1 4.26Å; I250-V279 HydrophobicContact CG2-CG1 3.71Å; I250-V279 HydrophobicContact CG2-CG2 4.12Å; I250-V281 HydrophobicContact CD1-CG2 3.54Å; I250-V281 HydrophobicContact CG1-CG2 4.48Å |
| 251 | V | 65.1 | Low | 58.7 | Low | 70 Ų | 70 | 92.9 Ų | 92.9 | 42% | 0.424 | 54% | 0.539 | S | S | . | . | | | trans | -92.9 | 84.3 | -176.5 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | I239 Q249 K253 | I239-V251 HydrophobicContact CD1-CG2 4.39Å; Q249-V251 HydrophobicContact CG-CG2 4.08Å; V251-K253 HydrophobicContact CG1-CD 3.8Å; V251-K253 HydrophobicContact CG1-CG 3.9Å; V251-K253 PolarHBondContact O-N 3.33Å; V251-K253 VanDerWaalsContact O-N 3.15Å |
| 252 | Y | 56.3 | Low | 58.5 | Low | 137 Ų | 137 | 92.8 Ų | 92.8 | 54% | 0.537 | 55% | 0.548 | S | S | . | . | | | trans | -73.6 | 101.8 | 173.1 | -173.2 | -109.1 | 0 | 0 | 0 | 110.1 | I250 P254 | I250-Y252 PolarHBondContact O-N 3.26Å; Y252-P254 HydrophobicContact CD1-CG 4.15Å; Y252-P254 HydrophobicContact CE1-CB 3.86Å; Y252-P254 HydrophobicContact CE1-CG 3.79Å; Y252-P254 VanDerWaalsContact O-CD 3.29Å; Y252-P254 WeakPolarHBondContact O-CD 3.18Å |
| 253 | K | 67.3 | Low | 58.4 | Low | 115 Ų | 115 | 99.6 Ų | 99.6 | 50% | 0.5 | 57% | 0.572 | S | S | . | * | | | trans | -108.8 | 85.6 | 174.5 | -80.4 | 168.7 | 175 | 171.9 | 0 | 109.4 | D237 V251 V255 | D237-K253 VanDerWaalsContact CG-NZ 3.3Å; D237-K253 IonicContact OD1-NZ 3.72Å; D237-K253 IonicContact OD2-NZ 3.62Å; D237-K253 PolarHBondContact OD2-NZ 3.07Å; V251-K253 HydrophobicContact CG1-CD 3.8Å; V251-K253 HydrophobicContact CG1-CG 3.9Å; V251-K253 PolarHBondContact O-N 3.33Å; V251-K253 VanDerWaalsContact O-N 3.15Å; K253-V255 PolarHBondContact O-N 2.83Å |
| 254 | P | 63.4 | Low | 58.6 | Low | 86 Ų | 86 | 99.5 Ų | 99.5 | 56% | 0.558 | 57% | 0.572 | S | S | * | * | | | trans | -66.4 | 125.1 | 176 | 27.9 | -32.5 | 0 | 0 | 0 | 109.3 | Y252 D256 | Y252-P254 HydrophobicContact CD1-CG 4.15Å; Y252-P254 HydrophobicContact CE1-CB 3.86Å; Y252-P254 HydrophobicContact CE1-CG 3.79Å; Y252-P254 VanDerWaalsContact O-CD 3.29Å; Y252-P254 WeakPolarHBondContact O-CD 3.18Å; P254-D256 PolarHBondContact O-N 2.78Å |
| 255 | V | 63 | Low | 58.3 | Low | 76 Ų | 76 | 102 Ų | 102 | 46% | 0.461 | 60% | 0.599 | S | S | . | * | | | trans | -80.2 | 113.9 | 168.5 | -178.4 | 0 | 0 | 0 | 0 | 107.1 | Q230 K253 L257 | Q230-V255 VanDerWaalsContact NE2-CG1 3.26Å; K253-V255 PolarHBondContact O-N 2.83Å; V255-L257 HydrophobicContact CG1-CD2 4.4Å; V255-L257 HydrophobicContact CG1-CG 4.39Å; V255-L257 PolarHBondContact O-N 3.02Å; V255-L257 VanDerWaalsContact O-N 3.1Å |
| 256 | D | 61.7 | Low | 58 | Low | 123 Ų | 123 | 104.3 Ų | 104.3 | 66% | 0.658 | 61% | 0.609 | S | S | * | * | | | trans | -72.2 | 106.7 | -176.3 | -165.2 | -13.5 | 0 | 0 | 0 | 110.8 | P254 S258 | P254-D256 PolarHBondContact O-N 2.78Å; D256-S258 WeakPolarHBondContact OD1-CB 3.04Å; D256-S258 PolarHBondContact OD1-N 2.83Å; D256-S258 VanDerWaalsContact OD1-N 3.13Å; D256-S258 PolarHBondContact OD1-OG 2.85Å |
| 257 | L | 60.8 | Low | 58 | Low | 119 Ų | 119 | 110.3 Ų | 110.3 | 62% | 0.623 | 63% | 0.625 | S | S | * | * | | | trans | -106.3 | 23.1 | -178.9 | -67.6 | 172.1 | 0 | 0 | 0 | 112.1 | V255 K259 V260 | V255-L257 HydrophobicContact CG1-CD2 4.4Å; V255-L257 HydrophobicContact CG1-CG 4.39Å; V255-L257 PolarHBondContact O-N 3.02Å; V255-L257 VanDerWaalsContact O-N 3.1Å; L257-K259 PolarHBondContact O-N 3.15Å; L257-V260 HydrophobicContact CB-CG2 4.29Å; L257-V260 WeakPolarHBondContact O-CG2 3.32Å; L257-V260 PolarHBondContact O-N 3.05Å; L257-V260 VanDerWaalsContact O-N 3.12Å |
| 258 | S | 60.6 | Low | 58.4 | Low | 97 Ų | 97 | 109.9 Ų | 109.9 | 68% | 0.678 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | 0.8 | -179.1 | 49.1 | 0 | 0 | 0 | 0 | 116.6 | D256 | D256-S258 WeakPolarHBondContact OD1-CB 3.04Å; D256-S258 PolarHBondContact OD1-N 2.83Å; D256-S258 VanDerWaalsContact OD1-N 3.13Å; D256-S258 PolarHBondContact OD1-OG 2.85Å |
| 259 | K | 57 | Low | 58.4 | Low | 156 Ų | 156 | 112.5 Ų | 112.5 | 68% | 0.678 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | 18.2 | 175.1 | -65.6 | -178.2 | -175.1 | 170.2 | 0 | 114.5 | L257 T261 | L257-K259 PolarHBondContact O-N 3.15Å; K259-T261 VanDerWaalsContact C-N 3.31Å; K259-T261 PolarHBondContact O-N 3.06Å |
| 260 | V | 55.1 | Low | 58.6 | Low | 115 Ų | 115 | 112 Ų | 112 | 70% | 0.697 | 64% | 0.639 | S | S | * | * | | | trans | -75.6 | 85.6 | 165.5 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | L257 S262 | L257-V260 HydrophobicContact CB-CG2 4.29Å; L257-V260 WeakPolarHBondContact O-CG2 3.32Å; L257-V260 PolarHBondContact O-N 3.05Å; L257-V260 VanDerWaalsContact O-N 3.12Å; V260-S262 PolarHBondContact O-N 2.85Å |
| 261 | T | 54.7 | Low | 58.5 | Low | 118 Ų | 118 | 115.2 Ų | 115.2 | 72% | 0.724 | 65% | 0.652 | S | S | * | * | | | trans | -80.2 | 105.2 | 169 | 52.5 | 0 | 0 | 0 | 0 | 109.2 | K259 K263 | K259-T261 VanDerWaalsContact C-N 3.31Å; K259-T261 PolarHBondContact O-N 3.06Å; T261-K263 PolarHBondContact O-N 2.96Å; T261-K263 VanDerWaalsContact O-N 3.16Å |
| 262 | S | 51.9 | Low | 58.3 | Low | 85 Ų | 85 | 119 Ų | 119 | 59% | 0.594 | 67% | 0.665 | S | S | * | * | | | trans | -63.5 | 117.2 | 170.1 | 49 | 0 | 0 | 0 | 0 | 108.9 | V260 C264 | V260-S262 PolarHBondContact O-N 2.85Å; S262-C264 PolarHBondContact O-N 3.12Å |
| 263 | K | 57.6 | Low | 58.9 | Low | 208 Ų | 208 | 120.8 Ų | 120.8 | 90% | 0.904 | 68% | 0.675 | S | S | * | * | | | trans | -77.8 | 44.5 | 168.4 | -68.7 | -163.5 | 177.3 | -171.9 | 0 | 111.3 | T261 G265 | T261-K263 PolarHBondContact O-N 2.96Å; T261-K263 VanDerWaalsContact O-N 3.16Å; K263-G265 PolarHBondContact O-N 2.67Å |
| 264 | C | 55.5 | Low | 58.5 | Low | 75 Ų | 75 | 119.9 Ų | 119.9 | 51% | 0.507 | 68% | 0.681 | S | S | . | * | | | trans | -85.6 | 91 | 172.1 | -170.9 | 0 | 0 | 0 | 0 | 107.9 | S262 S266 I270 | S262-C264 PolarHBondContact O-N 3.12Å; C264-S266 PolarHBondContact O-N 2.79Å; C264-I270 HydrophobicContact CB-CD1 4.44Å |
| 265 | G | 52.9 | Low | 58.3 | Low | 91 Ų | 91 | 119.6 Ų | 119.6 | 94% | 0.938 | 69% | 0.694 | S | S | * | * | | | trans | -76.4 | 60.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K263 | K263-G265 PolarHBondContact O-N 2.67Š|
| 266 | S | 42.7 | Very low | 58.8 | Low | 84 Ų | 84 | 118.7 Ų | 118.7 | 59% | 0.587 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -127.8 | 136.2 | 172.6 | -173.5 | 0 | 0 | 0 | 0 | 109.7 | C264 G268 | C264-S266 PolarHBondContact O-N 2.79Å; S266-G268 PolarHBondContact O-N 3.27Å |
| 267 | L | 58.3 | Low | 58.9 | Low | 191 Ų | 191 | 115.2 Ų | 115.2 | 100% | 1 | 69% | 0.692 | S | S | * | * | | | trans | -77.4 | 48.3 | -174.6 | -66.7 | 169.7 | 0 | 0 | 0 | 112.4 | | |
| 268 | G | 59.8 | Low | 58.8 | Low | 45 Ų | 45 | 117.8 Ų | 117.8 | 46% | 0.464 | 70% | 0.701 | S | S | . | * | | | trans | -95.6 | 141.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S266 I270 | S266-G268 PolarHBondContact O-N 3.27Å; G268-I270 VanDerWaalsContact C-N 3.25Å; G268-I270 PolarHBondContact O-N 2.9Å |
| 269 | N | 60.3 | Low | 58.7 | Low | 162 Ų | 162 | 116.8 Ų | 116.8 | 87% | 0.866 | 69% | 0.691 | S | S | * | * | | | trans | -70.6 | 80.8 | 169.6 | -72 | -36.8 | 0 | 0 | 0 | 109.9 | H271 | N269-H271 VanDerWaalsContact C-N 3.34Å; N269-H271 PolarHBondContact O-N 2.79Å |
| 270 | I | 61.7 | Low | 59.2 | Low | 106 Ų | 106 | 115.2 Ų | 115.2 | 54% | 0.544 | 69% | 0.686 | S | S | . | * | | | trans | -70.5 | 90.4 | -179.7 | -53.3 | -179.4 | 0 | 0 | 0 | 109.5 | C264 G268 H272 | C264-I270 HydrophobicContact CB-CD1 4.44Å; G268-I270 VanDerWaalsContact C-N 3.25Å; G268-I270 PolarHBondContact O-N 2.9Å; I270-H272 HydrophobicContact CG2-CB 4.24Å; I270-H272 PolarHBondContact O-N 2.68Å |
| 271 | H | 62.3 | Low | 59.6 | Low | 161 Ų | 161 | 113.5 Ų | 113.5 | 75% | 0.745 | 68% | 0.676 | S | S | * | * | | | trans | -72.3 | 67.1 | 170 | -101.5 | -114.9 | 0 | 0 | 0 | 111.1 | N269 K273 | N269-H271 VanDerWaalsContact C-N 3.34Å; N269-H271 PolarHBondContact O-N 2.79Å; H271-K273 PolarHBondContact O-N 3.26Å |
| 272 | H | 61.9 | Low | 59.7 | Low | 149 Ų | 149 | 116 Ų | 116 | 69% | 0.69 | 68% | 0.677 | S | S | * | * | | | trans | -73.1 | 91.2 | 172 | -177.3 | -103.6 | 0 | 0 | 0 | 110 | I270 P274 | I270-H272 HydrophobicContact CG2-CB 4.24Å; I270-H272 PolarHBondContact O-N 2.68Å; H272-P274 VanDerWaalsContact O-CD 3.23Å; H272-P274 WeakPolarHBondContact O-CD 3.37Å |
| 273 | K | 67.6 | Low | 60.1 | Low | 175 Ų | 175 | 117.2 Ų | 117.2 | 76% | 0.761 | 69% | 0.685 | S | S | * | * | | | trans | -92.5 | 98.9 | 163.7 | -69.8 | -169.3 | 176.7 | -173.3 | 0 | 108.3 | H271 G275 | H271-K273 PolarHBondContact O-N 3.26Å; K273-G275 PolarHBondContact O-N 2.9Å; K273-G275 VanDerWaalsContact O-N 3.09Å |
| 274 | P | 60.5 | Low | 60.4 | Low | 96 Ų | 96 | 115.8 Ų | 115.8 | 62% | 0.623 | 68% | 0.682 | S | S | * | * | | | trans | -65.5 | 113.7 | 173 | 26.7 | -31.4 | 0 | 0 | 0 | 108.4 | H272 G276 | H272-P274 VanDerWaalsContact O-CD 3.23Å; H272-P274 WeakPolarHBondContact O-CD 3.37Å; P274-G276 PolarHBondContact O-N 3.2Å; P274-G276 VanDerWaalsContact O-N 3.12Å |
| 275 | G | 58.2 | Low | 61 | Low | 80 Ų | 80 | 120.3 Ų | 120.3 | 83% | 0.825 | 69% | 0.693 | S | S | * | * | | | trans | -63.3 | 112.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | K273 | K273-G275 PolarHBondContact O-N 2.9Å; K273-G275 VanDerWaalsContact O-N 3.09Å |
| 276 | G | 74.8 | Confident | 61.4 | Low | 57 Ų | 57 | 122.2 Ų | 122.2 | 59% | 0.588 | 68% | 0.681 | S | S | * | * | | | trans | -68.9 | 148.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | P274 Q278 | P274-G276 PolarHBondContact O-N 3.2Å; P274-G276 VanDerWaalsContact O-N 3.12Å; G276-Q278 PolarHBondContact O-N 2.86Å; G276-Q278 VanDerWaalsContact O-N 3.14Å |
| 277 | G | 63 | Low | 62 | Low | 49 Ų | 49 | 122.2 Ų | 122.2 | 51% | 0.505 | 67% | 0.674 | S | S | . | * | | | trans | -67.8 | 110.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V279 | G277-V279 PolarHBondContact O-N 3.29Š|
| 278 | Q | 58.9 | Low | 62.2 | Low | 173 Ų | 173 | 119.1 Ų | 119.1 | 81% | 0.808 | 65% | 0.653 | S | S | * | * | | | trans | -79.2 | 108 | 175.5 | -174.9 | 168.2 | -12.5 | 0 | 0 | 109.7 | G276 | G276-Q278 PolarHBondContact O-N 2.86Å; G276-Q278 VanDerWaalsContact O-N 3.14Å |
| 279 | V | 57.1 | Low | 62.6 | Low | 76 Ų | 76 | 125.4 Ų | 125.4 | 46% | 0.461 | 67% | 0.667 | S | S | . | * | | | trans | -103.4 | 108.3 | 176.1 | 175.4 | 0 | 0 | 0 | 0 | 108.7 | I250 G277 V281 | I250-V279 HydrophobicContact CB-CG1 4.03Å; I250-V279 HydrophobicContact CD1-CG1 3.35Å; I250-V279 HydrophobicContact CG1-CG1 4.26Å; I250-V279 HydrophobicContact CG2-CG1 3.71Å; I250-V279 HydrophobicContact CG2-CG2 4.12Å; G277-V279 PolarHBondContact O-N 3.29Å; V279-V281 HydrophobicContact CG1-CG2 4.37Å |
| 280 | E | 67.6 | Low | 63 | Low | 123 Ų | 123 | 124.4 Ų | 124.4 | 58% | 0.575 | 66% | 0.662 | S | S | * | * | | | trans | -114.7 | 111.7 | 177.3 | -166.2 | -178.2 | 149.4 | 0 | 0 | 110.1 | K282 | E280-K282 HydrophobicContact CG-CG 4.48Å; E280-K282 WeakPolarHBondContact OE1-CE 3.25Å; E280-K282 IonicContact OE1-NZ 2.64Å |
| 281 | V | 64.9 | Low | 63 | Low | 80 Ų | 80 | 129.5 Ų | 129.5 | 49% | 0.485 | 67% | 0.674 | S | S | . | * | | | trans | -96.2 | 101.4 | 177.2 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | V248 I250 V279 S283 | V248-V281 HydrophobicContact CB-CG1 4.3Å; V248-V281 HydrophobicContact CG1-CG1 4.14Å; V248-V281 HydrophobicContact CG1-CG2 4.14Å; I250-V281 HydrophobicContact CD1-CG2 3.54Å; I250-V281 HydrophobicContact CG1-CG2 4.48Å; V279-V281 HydrophobicContact CG1-CG2 4.37Å; V281-S283 PolarHBondContact O-N 3.49Å |
| 282 | K | 55.9 | Low | 62.9 | Low | 171 Ų | 171 | 125.9 Ų | 125.9 | 74% | 0.743 | 66% | 0.664 | S | S | * | * | | | trans | -82.4 | 98 | 173.1 | -66.7 | -179.2 | -178.7 | 176.7 | 0 | 109.7 | E280 E284 | E280-K282 HydrophobicContact CG-CG 4.48Å; E280-K282 WeakPolarHBondContact OE1-CE 3.25Å; E280-K282 IonicContact OE1-NZ 2.64Å; K282-E284 PolarHBondContact O-N 3.46Å |
| 283 | S | 60.3 | Low | 62.5 | Low | 110 Ų | 110 | 125.5 Ų | 125.5 | 77% | 0.769 | 66% | 0.662 | S | S | * | * | | | trans | -87.5 | 92.8 | 173.1 | 58.9 | 0 | 0 | 0 | 0 | 110.7 | V281 | V281-S283 PolarHBondContact O-N 3.49Š|
| 284 | E | 64.6 | Low | 62 | Low | 178 Ų | 178 | 120.5 Ų | 120.5 | 83% | 0.832 | 65% | 0.649 | S | S | * | * | | | trans | -67.6 | 150.9 | 164.2 | -167.2 | 171.9 | 166.3 | 0 | 0 | 110.1 | K282 L286 | K282-E284 PolarHBondContact O-N 3.46Å; E284-L286 PolarHBondContact O-N 2.97Å |
| 285 | K | 66.8 | Low | 61.9 | Low | 170 Ų | 170 | 125.3 Ų | 125.3 | 74% | 0.739 | 66% | 0.66 | S | S | * | * | | | trans | -78.9 | 81.8 | -161.3 | -161.2 | 174.1 | 178.9 | -71 | 0 | 113 | D287 | K285-D287 IonicContact NZ-OD1 3.91Å; K285-D287 PolarHBondContact NZ-OD1 3.39Å; K285-D287 IonicContact NZ-OD2 2.68Å; K285-D287 PolarHBondContact O-N 3.22Å |
| 286 | L | 61.5 | Low | 61.8 | Low | 131 Ų | 131 | 125.2 Ų | 125.2 | 69% | 0.686 | 64% | 0.64 | S | S | * | * | | | trans | -80.3 | 96.1 | 175.6 | -62.6 | 175.7 | 0 | 0 | 0 | 111.5 | E284 F288 | E284-L286 PolarHBondContact O-N 2.97Å; L286-F288 HydrophobicContact CB-CD2 4.48Å; L286-F288 HydrophobicContact CB-CE2 3.77Å; L286-F288 HydrophobicContact CB-CZ 4.02Å; L286-F288 HydrophobicContact CD1-CZ 4.3Å; L286-F288 WeakPolarHBondContact O-CD2 3.29Å; L286-F288 PolarHBondContact O-N 3.31Å; L286-F288 VanDerWaalsContact O-N 3.17Å |
| 287 | D | 55.8 | Low | 61.1 | Low | 84 Ų | 84 | 125.4 Ų | 125.4 | 45% | 0.449 | 64% | 0.642 | S | S | . | * | | | trans | -77.8 | 89.9 | 177.6 | -79.3 | -1.2 | 0 | 0 | 0 | 112.1 | K285 K289 | K285-D287 IonicContact NZ-OD1 3.91Å; K285-D287 PolarHBondContact NZ-OD1 3.39Å; K285-D287 IonicContact NZ-OD2 2.68Å; K285-D287 PolarHBondContact O-N 3.22Å; D287-K289 HydrophobicContact CB-CD 4.44Å; D287-K289 HydrophobicContact CB-CG 4.39Å; D287-K289 PolarHBondContact O-N 3.03Å; D287-K289 WeakPolarHBondContact OD2-CE 3.3Å; D287-K289 IonicContact OD2-NZ 3.26Å; D287-K289 PolarHBondContact OD2-NZ 3.13Å |
| 288 | F | 63.3 | Low | 60.6 | Low | 125 Ų | 125 | 127.3 Ų | 127.3 | 55% | 0.548 | 65% | 0.647 | S | S | . | * | | | trans | -73.9 | 87 | 171.3 | -58.6 | -80.8 | 0 | 0 | 0 | 111.3 | L286 | L286-F288 HydrophobicContact CB-CD2 4.48Å; L286-F288 HydrophobicContact CB-CE2 3.77Å; L286-F288 HydrophobicContact CB-CZ 4.02Å; L286-F288 HydrophobicContact CD1-CZ 4.3Å; L286-F288 WeakPolarHBondContact O-CD2 3.29Å; L286-F288 PolarHBondContact O-N 3.31Å; L286-F288 VanDerWaalsContact O-N 3.17Å |
| 289 | K | 67.3 | Low | 60.8 | Low | 177 Ų | 177 | 123.3 Ų | 123.3 | 77% | 0.77 | 63% | 0.631 | S | S | * | * | | | trans | -83.1 | -12 | -175.7 | -75.7 | 168.6 | -180 | 139.7 | 0 | 115.1 | D287 | D287-K289 HydrophobicContact CB-CD 4.44Å; D287-K289 HydrophobicContact CB-CG 4.39Å; D287-K289 PolarHBondContact O-N 3.03Å; D287-K289 WeakPolarHBondContact OD2-CE 3.3Å; D287-K289 IonicContact OD2-NZ 3.26Å; D287-K289 PolarHBondContact OD2-NZ 3.13Å |
| 290 | D | 68.9 | Low | 61.2 | Low | 142 Ų | 142 | 123.4 Ų | 123.4 | 76% | 0.759 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -97.5 | 156.1 | -179.1 | -128.6 | -38.1 | 0 | 0 | 0 | 112.8 | V292 | D290-V292 PolarHBondContact O-N 3.29Š|
| 291 | R | 62.4 | Low | 60.8 | Low | 212 Ų | 212 | 124 Ų | 124 | 80% | 0.8 | 64% | 0.636 | S | S | * | * | | | trans | -71.5 | 84.1 | -168.9 | -67.2 | -178.5 | 178.9 | -179.9 | 0.8 | 113 | Q293 | R291-Q293 PolarHBondContact O-N 3.42Š|
| 292 | V | 59.1 | Low | 60.5 | Low | 86 Ų | 86 | 125.5 Ų | 125.5 | 52% | 0.521 | 64% | 0.641 | S | S | . | * | | | trans | -71 | 89.2 | 174.4 | -162.7 | 0 | 0 | 0 | 0 | 110.9 | G244 D290 | G244-V292 WeakPolarHBondContact O-CG1 3.07Å; D290-V292 PolarHBondContact O-N 3.29Å |
| 293 | Q | 53.8 | Low | 60.6 | Low | 141 Ų | 141 | 123.4 Ų | 123.4 | 66% | 0.659 | 64% | 0.642 | S | S | * | * | | | trans | -99.5 | 101.3 | 175.1 | -70.6 | -170.4 | -13.2 | 0 | 0 | 111.2 | R291 K295 | R291-Q293 PolarHBondContact O-N 3.42Å; Q293-K295 PolarHBondContact O-N 2.61Å; Q293-K295 VanDerWaalsContact O-N 3.08Å |
| 294 | S | 57.2 | Low | 60.6 | Low | 70 Ų | 70 | 124.7 Ų | 124.7 | 49% | 0.49 | 64% | 0.636 | S | S | . | * | | | trans | -73.1 | 95.7 | 173.1 | 58.4 | 0 | 0 | 0 | 0 | 111.1 | I296 | S294-I296 VanDerWaalsContact C-N 3.26Å; S294-I296 PolarHBondContact O-N 3.21Å |
| 295 | K | 59.3 | Low | 60.7 | Low | 196 Ų | 196 | 121.9 Ų | 121.9 | 85% | 0.852 | 63% | 0.63 | S | S | * | * | | | trans | -77 | 74.9 | 173.4 | -69.5 | -178.2 | -179.6 | 175.7 | 0 | 111 | Q293 | Q293-K295 PolarHBondContact O-N 2.61Å; Q293-K295 VanDerWaalsContact O-N 3.08Å |
| 296 | I | 54.7 | Low | 60.7 | Low | 79 Ų | 79 | 118.1 Ų | 118.1 | 41% | 0.405 | 62% | 0.623 | S | S | . | * | | | trans | -85.4 | 111.3 | -177.1 | -64.5 | 167.8 | 0 | 0 | 0 | 109.9 | V242 S294 L299 | V242-I296 HydrophobicContact CB-CD1 3.84Å; V242-I296 HydrophobicContact CG1-CD1 3.46Å; V242-I296 VanDerWaalsContact CG1-CD1 3.46Å; V242-I296 HydrophobicContact CG1-CG1 3.97Å; S294-I296 VanDerWaalsContact C-N 3.26Å; S294-I296 PolarHBondContact O-N 3.21Å; I296-L299 HydrophobicContact CG2-CD1 3.51Å; I296-L299 HydrophobicContact CG2-CD2 3.91Å; I296-L299 HydrophobicContact CG2-CG 3.44Å; I296-L299 VanDerWaalsContact CG2-CG 3.44Å |
| 297 | G | 61.3 | Low | 61.2 | Low | 61 Ų | 61 | 114.9 Ų | 114.9 | 63% | 0.629 | 62% | 0.622 | S | S | * | * | | | trans | -78 | 156 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L299 | G297-L299 PolarHBondContact O-N 3.09Š|
| 298 | S | 52.9 | Low | 62.2 | Low | 88 Ų | 88 | 114.9 Ų | 114.9 | 62% | 0.615 | 64% | 0.642 | S | S | * | * | | | trans | -32.3 | 115.8 | -171.4 | -170.8 | 0 | 0 | 0 | 0 | 115.6 | N301 | S298-N301 PolarHBondContact OG-ND2 3.33Å; S298-N301 PolarHBondContact OG-OD1 2.89Å |
| 299 | L | 63.2 | Low | 62.3 | Low | 90 Ų | 90 | 112.3 Ų | 112.3 | 47% | 0.471 | 65% | 0.65 | S | S | . | * | S | Bend | trans | -88.3 | -16.2 | -176.3 | -71.8 | 173.4 | 0 | 0 | 0 | 115 | K240 V242 I296 G297 | K240-L299 PolarHBondContact NZ-O 2.91Å; V242-L299 HydrophobicContact CB-CD1 4.47Å; V242-L299 HydrophobicContact CG2-CD1 3.54Å; V242-L299 HydrophobicContact CG2-CD2 4.14Å; I296-L299 HydrophobicContact CG2-CD1 3.51Å; I296-L299 HydrophobicContact CG2-CD2 3.91Å; I296-L299 HydrophobicContact CG2-CG 3.44Å; I296-L299 VanDerWaalsContact CG2-CG 3.44Å; G297-L299 PolarHBondContact O-N 3.09Å |
| 300 | D | 64.3 | Low | 62.2 | Low | 78 Ų | 78 | 111.3 Ų | 111.3 | 42% | 0.417 | 65% | 0.653 | S | S | . | * | | | trans | -149.6 | 59.1 | -165.4 | -86.7 | -67.3 | 0 | 0 | 0 | 114.6 | K240 I302 | K240-D300 WeakPolarHBondContact CD-OD2 3.4Å; K240-D300 IonicContact NZ-OD1 2.76Å; K240-D300 PolarHBondContact NZ-OD1 2.96Å; K240-D300 IonicContact NZ-OD2 2.87Å; K240-D300 PolarHBondContact NZ-OD2 3.22Å; K240-D300 VanDerWaalsContact NZ-OD2 3.12Å; D300-I302 PolarHBondContact O-N 3.08Å |
| 301 | N | 58.5 | Low | 62.2 | Low | 134 Ų | 134 | 113.3 Ų | 113.3 | 72% | 0.717 | 66% | 0.655 | S | S | * | * | | | trans | -86.4 | 51.8 | 165.9 | -68 | -10.2 | 0 | 0 | 0 | 111.5 | S298 T303 | S298-N301 PolarHBondContact OG-ND2 3.33Å; S298-N301 PolarHBondContact OG-OD1 2.89Å; N301-T303 PolarHBondContact O-N 2.97Å |
| 302 | I | 59.4 | Low | 62.7 | Low | 113 Ų | 113 | 111.3 Ų | 111.3 | 58% | 0.579 | 65% | 0.652 | S | S | * | * | | | trans | -90 | 86.6 | 178.3 | -53.6 | 179.8 | 0 | 0 | 0 | 109.8 | D300 H304 | D300-I302 PolarHBondContact O-N 3.08Å; I302-H304 HydrophobicContact CG2-CB 4.38Å; I302-H304 PolarHBondContact O-N 2.98Å |
| 303 | T | 59 | Low | 63.4 | Low | 126 Ų | 126 | 113.5 Ų | 113.5 | 77% | 0.773 | 66% | 0.659 | S | S | * | * | | | trans | -76.2 | 72.6 | 174.3 | -44.9 | 0 | 0 | 0 | 0 | 111 | N301 V305 | N301-T303 PolarHBondContact O-N 2.97Å; T303-V305 HydrophobicContact CG2-CG2 4.19Å; T303-V305 PolarHBondContact O-N 3.03Å; T303-V305 VanDerWaalsContact O-N 3.09Å |
| 304 | H | 59.7 | Low | 64.2 | Low | 138 Ų | 138 | 112.5 Ų | 112.5 | 64% | 0.639 | 66% | 0.655 | S | S | * | * | | | trans | -76.7 | 94.2 | 176.1 | 175.4 | -80.8 | 0 | 0 | 0 | 110.9 | I302 P306 | I302-H304 HydrophobicContact CG2-CB 4.38Å; I302-H304 PolarHBondContact O-N 2.98Å; H304-P306 VanDerWaalsContact O-CD 3.31Å; H304-P306 WeakPolarHBondContact O-CD 3.49Å |
| 305 | V | 65.7 | Low | 64.6 | Low | 118 Ų | 118 | 114.5 Ų | 114.5 | 72% | 0.715 | 66% | 0.664 | S | S | * | * | | | trans | -91.4 | 106 | 167.2 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | T303 G307 | T303-V305 HydrophobicContact CG2-CG2 4.19Å; T303-V305 PolarHBondContact O-N 3.03Å; T303-V305 VanDerWaalsContact O-N 3.09Å; V305-G307 PolarHBondContact O-N 2.88Å |
| 306 | P | 67.1 | Low | 65.2 | Low | 92 Ų | 92 | 113 Ų | 113 | 60% | 0.597 | 66% | 0.66 | S | S | * | * | | | trans | -67.5 | 118.8 | 174.5 | 26.3 | -30.5 | 0 | 0 | 0 | 109.6 | H304 G308 | H304-P306 VanDerWaalsContact O-CD 3.31Å; H304-P306 WeakPolarHBondContact O-CD 3.49Å; P306-G308 PolarHBondContact O-N 3.39Å |
| 307 | G | 72.1 | Confident | 66.1 | Low | 63 Ų | 63 | 117.5 Ų | 117.5 | 65% | 0.649 | 68% | 0.676 | S | S | * | * | | | trans | -57.9 | 112.1 | 171 | 0 | 0 | 0 | 0 | 0 | 110.6 | V305 | V305-G307 PolarHBondContact O-N 2.88Š|
| 308 | G | 76.3 | Confident | 66.4 | Low | 84 Ų | 84 | 122.4 Ų | 122.4 | 87% | 0.866 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 138.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | P306 | P306-G308 PolarHBondContact O-N 3.39Š|
| 309 | G | 65.5 | Low | 67.1 | Low | 70 Ų | 70 | 122.6 Ų | 122.6 | 72% | 0.722 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 151.5 | -20.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | K311 | G309-K311 PolarHBondContact O-N 3.43Š|
| 310 | N | 66.8 | Low | 66.9 | Low | 156 Ų | 156 | 127 Ų | 127 | 83% | 0.834 | 70% | 0.701 | S | S | * | * | | | trans | -69.7 | 84.1 | -177.8 | -68 | -58.2 | 0 | 0 | 0 | 113.4 | K312 | N310-K312 PolarHBondContact O-N 3.21Š|
| 311 | K | 67.4 | Low | 66.9 | Low | 184 Ų | 184 | 134.6 Ų | 134.6 | 80% | 0.8 | 72% | 0.723 | S | S | * | * | | | trans | -81.9 | 90.5 | 166.7 | -68.8 | -176.3 | -178.7 | 177.8 | 0 | 110.2 | G309 I313 | G309-K311 PolarHBondContact O-N 3.43Å; K311-I313 HydrophobicContact CB-CG1 4.3Å; K311-I313 PolarHBondContact O-N 3.17Å |
| 312 | K | 73.1 | Confident | 67 | Low | 171 Ų | 171 | 136.1 Ų | 136.1 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | | | trans | -78 | 85.3 | 173.6 | -159.4 | -168.7 | -169.3 | -157 | 0 | 110.6 | N310 E314 | N310-K312 PolarHBondContact O-N 3.21Å; K312-E314 HydrophobicContact CD-CG 4.47Å; K312-E314 WeakPolarHBondContact CD-OE1 3.31Å; K312-E314 WeakPolarHBondContact CE-OE1 3.18Å; K312-E314 HydrophobicContact CG-CG 4.38Å; K312-E314 IonicContact NZ-OE1 2.61Å; K312-E314 PolarHBondContact NZ-OE1 3.05Å; K312-E314 PolarHBondContact O-N 3.46Å |
| 313 | I | 74.1 | Confident | 66.6 | Low | 131 Ų | 131 | 138.6 Ų | 138.6 | 67% | 0.672 | 74% | 0.741 | S | S | * | * | | | trans | -90.1 | 95.7 | 178.6 | -54.3 | 177.9 | 0 | 0 | 0 | 109.5 | K311 T315 | K311-I313 HydrophobicContact CB-CG1 4.3Å; K311-I313 PolarHBondContact O-N 3.17Å; I313-T315 PolarHBondContact O-N 3.28Å; I313-T315 VanDerWaalsContact O-N 3.17Å |
| 314 | E | 69.8 | Low | 66.5 | Low | 120 Ų | 120 | 135.5 Ų | 135.5 | 56% | 0.561 | 73% | 0.728 | S | S | * | * | | | trans | -80.6 | 90.6 | 176.5 | -68 | 179 | 175.7 | 0 | 0 | 110.7 | K312 H316 | K312-E314 HydrophobicContact CD-CG 4.47Å; K312-E314 WeakPolarHBondContact CD-OE1 3.31Å; K312-E314 WeakPolarHBondContact CE-OE1 3.18Å; K312-E314 HydrophobicContact CG-CG 4.38Å; K312-E314 IonicContact NZ-OE1 2.61Å; K312-E314 PolarHBondContact NZ-OE1 3.05Å; K312-E314 PolarHBondContact O-N 3.46Å; E314-H316 PolarHBondContact O-N 2.87Å |
| 315 | T | 67.2 | Low | 66.4 | Low | 112 Ų | 112 | 138.6 Ų | 138.6 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | | | trans | -86.1 | 95.7 | -178.5 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | I313 K317 | I313-T315 PolarHBondContact O-N 3.28Å; I313-T315 VanDerWaalsContact O-N 3.17Å; T315-K317 HydrophobicContact CG2-CB 4.43Å; T315-K317 PolarHBondContact O-N 3.43Å |
| 316 | H | 70 | Confident | 66 | Low | 166 Ų | 166 | 137 Ų | 137 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | | | trans | -85.6 | 80.7 | 170.9 | -70.7 | -81.9 | 0 | 0 | 0 | 111.7 | E314 L318 | E314-H316 PolarHBondContact O-N 2.87Å; H316-L318 PolarHBondContact O-N 3.06Å |
| 317 | K | 75.2 | Confident | 65.6 | Low | 172 Ų | 172 | 142.7 Ų | 142.7 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | -81.6 | 106.3 | 176.2 | -171.4 | -179.1 | -179.1 | -176 | 0 | 110.8 | T315 T319 | T315-K317 HydrophobicContact CG2-CB 4.43Å; T315-K317 PolarHBondContact O-N 3.43Å; K317-T319 HydrophobicContact CG-CG2 4.49Å; K317-T319 PolarHBondContact O-N 2.74Å |
| 318 | L | 67.2 | Low | 64.9 | Low | 165 Ų | 165 | 144.7 Ų | 144.7 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | | | trans | -82.5 | 107.7 | 175.3 | -70.2 | 169 | 0 | 0 | 0 | 111.2 | H316 F320 | H316-L318 PolarHBondContact O-N 3.06Å; L318-F320 PolarHBondContact O-N 2.96Å |
| 319 | T | 66.8 | Low | 63.7 | Low | 92 Ų | 92 | 147.7 Ų | 147.7 | 56% | 0.564 | 75% | 0.75 | S | S | * | * | | | trans | -93.2 | 80 | 176.4 | 42 | 0 | 0 | 0 | 0 | 111.5 | K317 R321 | K317-T319 HydrophobicContact CG-CG2 4.49Å; K317-T319 PolarHBondContact O-N 2.74Å; T319-R321 PolarHBondContact O-N 3.49Å |
| 320 | F | 60.2 | Low | 63 | Low | 182 Ų | 182 | 151.9 Ų | 151.9 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 18.6 | -176.7 | -144.9 | -94.3 | 0 | 0 | 0 | 115.2 | L318 | L318-F320 PolarHBondContact O-N 2.96Š|
| 321 | R | 63.2 | Low | 62.4 | Low | 237 Ų | 237 | 148.4 Ų | 148.4 | 89% | 0.894 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -14.7 | -170.3 | -76.2 | -172.4 | 171.9 | 177.5 | -3 | 115.6 | T319 | T319-R321 PolarHBondContact O-N 3.49Š|
| 322 | E | 60.3 | Low | 61.6 | Low | 167 Ų | 167 | 143.5 Ų | 143.5 | 78% | 0.78 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -98.9 | -30.4 | -175 | -70.3 | 170.2 | 155 | 0 | 0 | 113.6 | | |
| 323 | N | 52.5 | Low | 60.3 | Low | 165 Ų | 165 | 143.5 Ų | 143.5 | 88% | 0.882 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -96.8 | -3.1 | -178.1 | -69.5 | -23.8 | 0 | 0 | 0 | 114.5 | K325 | N323-K325 VanDerWaalsContact C-N 3.35Å; N323-K325 PolarHBondContact O-N 2.85Å |
| 324 | A | 55.3 | Low | 59.5 | Low | 61 Ų | 61 | 144.1 Ų | 144.1 | 50% | 0.504 | 75% | 0.751 | S | S | . | * | | | trans | -80.6 | 79.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | A326 | A324-A326 PolarHBondContact O-N 3.07Š|
| 325 | K | 57.8 | Low | 58.7 | Low | 203 Ų | 203 | 143 Ų | 143 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | | | trans | -60.9 | 106.2 | 168.3 | -118.9 | -172.7 | -178.1 | -173.8 | 0 | 108.7 | N323 K327 | N323-K325 VanDerWaalsContact C-N 3.35Å; N323-K325 PolarHBondContact O-N 2.85Å; K325-K327 PolarHBondContact O-N 2.96Å; K325-K327 VanDerWaalsContact O-N 3.08Å |
| 326 | A | 58.4 | Low | 57.8 | Low | 85 Ų | 85 | 147.5 Ų | 147.5 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | | | trans | -60.5 | 113.1 | 169 | 0 | 0 | 0 | 0 | 0 | 108.2 | A324 T328 | A324-A326 PolarHBondContact O-N 3.07Å; A326-T328 PolarHBondContact O-N 2.86Å |
| 327 | K | 58 | Low | 56.6 | Low | 211 Ų | 211 | 148.5 Ų | 148.5 | 92% | 0.917 | 76% | 0.76 | S | S | * | * | | | trans | -76 | 55.3 | 169.3 | -74.4 | -170.9 | 173.2 | -173.5 | 0 | 110.3 | K325 D329 | K325-K327 PolarHBondContact O-N 2.96Å; K325-K327 VanDerWaalsContact O-N 3.08Å; K327-D329 PolarHBondContact O-N 3.07Å |
| 328 | T | 56.9 | Low | 54.9 | Low | 105 Ų | 105 | 144.8 Ų | 144.8 | 64% | 0.644 | 76% | 0.756 | S | S | * | * | | | trans | -92.1 | 67.6 | 166.3 | -46.3 | 0 | 0 | 0 | 0 | 107.4 | A326 H330 | A326-T328 PolarHBondContact O-N 2.86Å; T328-H330 HydrophobicContact CG2-CB 4.34Å; T328-H330 PolarHBondContact O-N 3.45Å |
| 329 | D | 52.7 | Low | 53.9 | Low | 147 Ų | 147 | 142.9 Ų | 142.9 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | | | trans | -78.9 | 69.2 | 166.2 | -175.3 | 22.9 | 0 | 0 | 0 | 109 | K327 | K327-D329 PolarHBondContact O-N 3.07Š|
| 330 | H | 49.9 | Very low | 52.8 | Low | 158 Ų | 158 | 145.5 Ų | 145.5 | 73% | 0.731 | 77% | 0.769 | S | S | * | * | | | trans | -124.2 | 97.3 | 167.6 | -67.9 | -11.8 | 0 | 0 | 0 | 105.4 | T328 A332 | T328-H330 HydrophobicContact CG2-CB 4.34Å; T328-H330 PolarHBondContact O-N 3.45Å; H330-A332 PolarHBondContact O-N 3.47Å |
| 331 | G | 54.7 | Low | 51.9 | Low | 83 Ų | 83 | 143.3 Ų | 143.3 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | | | trans | -63.3 | 76.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E333 | G331-E333 PolarHBondContact O-N 3.15Š|
| 332 | A | 50.3 | Low | 50.9 | Low | 80 Ų | 80 | 138.1 Ų | 138.1 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | | | trans | -87.9 | 95.5 | 169 | 0 | 0 | 0 | 0 | 0 | 108.3 | H330 I334 | H330-A332 PolarHBondContact O-N 3.47Å; A332-I334 PolarHBondContact O-N 3.35Å |
| 333 | E | 45.9 | Very low | 49.8 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | -59.6 | 108.6 | 166.7 | -168.8 | 177.5 | -130.5 | 0 | 0 | 108.2 | G331 V335 | G331-E333 PolarHBondContact O-N 3.15Å; E333-V335 HydrophobicContact CG-CG2 4.2Å; E333-V335 PolarHBondContact O-N 3.24Å |
| 334 | I | 57.9 | Low | 49.5 | Very low | 143 Ų | 143 | 133.2 Ų | 133.2 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | | | trans | -77.3 | 79.9 | -179.6 | -53.5 | -178.6 | 0 | 0 | 0 | 108.3 | A332 Y336 | A332-I334 PolarHBondContact O-N 3.35Å; I334-Y336 HydrophobicContact CG2-CD2 4.13Å; I334-Y336 PolarHBondContact O-N 3.23Å |
| 335 | V | 51.3 | Low | 48.7 | Very low | 98 Ų | 98 | 136.8 Ų | 136.8 | 59% | 0.594 | 78% | 0.783 | S | S | * | * | | | trans | -65.9 | 98.6 | 171.9 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | E333 K337 | E333-V335 HydrophobicContact CG-CG2 4.2Å; E333-V335 PolarHBondContact O-N 3.24Å; V335-K337 VanDerWaalsContact C-N 3.25Å; V335-K337 HydrophobicContact CG1-CG 4.2Å; V335-K337 PolarHBondContact O-N 3.07Å |
| 336 | Y | 49.9 | Very low | 47.7 | Very low | 205 Ų | 205 | 131.5 Ų | 131.5 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -73.1 | 77.6 | 175.9 | -127.2 | -87.6 | 0 | 0 | 0 | 110.4 | I334 S338 | I334-Y336 HydrophobicContact CG2-CD2 4.13Å; I334-Y336 PolarHBondContact O-N 3.23Å; Y336-S338 VanDerWaalsContact C-N 3.35Å; Y336-S338 PolarHBondContact O-N 3.49Å; Y336-S338 VanDerWaalsContact O-N 3.07Å |
| 337 | K | 44.5 | Very low | 47.1 | Very low | 188 Ų | 188 | 133.7 Ų | 133.7 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | | | trans | -74.9 | 89.7 | 165 | -88.8 | -173.4 | 173.8 | -175.2 | 0 | 109.3 | V335 | V335-K337 VanDerWaalsContact C-N 3.25Å; V335-K337 HydrophobicContact CG1-CG 4.2Å; V335-K337 PolarHBondContact O-N 3.07Å |
| 338 | S | 40.2 | Very low | 46.5 | Very low | 94 Ų | 94 | 134.7 Ų | 134.7 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | | | trans | -60.8 | 136.7 | 163.5 | 41.3 | 0 | 0 | 0 | 0 | 110.1 | Y336 V340 | Y336-S338 VanDerWaalsContact C-N 3.35Å; Y336-S338 PolarHBondContact O-N 3.49Å; Y336-S338 VanDerWaalsContact O-N 3.07Å; S338-V340 PolarHBondContact O-N 2.8Å |
| 339 | P | 45.6 | Very low | 46.1 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | | | trans | -63 | 133.5 | 171.6 | -22.5 | 34.1 | 0 | 0 | 0 | 110.9 | V341 | P339-V341 PolarHBondContact O-N 3.47Å; P339-V341 VanDerWaalsContact O-N 3.15Å |
| 340 | V | 43.6 | Very low | 45.6 | Very low | 147 Ų | 147 | 137.8 Ų | 137.8 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | | | trans | -60.6 | 111 | 175.3 | -85.6 | 0 | 0 | 0 | 0 | 111.8 | S338 | S338-V340 PolarHBondContact O-N 2.8Š|
| 341 | V | 40.8 | Very low | 45.3 | Very low | 137 Ų | 137 | 135 Ų | 135 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | | | trans | -131.2 | 123.3 | 150.1 | 175.9 | 0 | 0 | 0 | 0 | 107.4 | P339 | P339-V341 PolarHBondContact O-N 3.47Å; P339-V341 VanDerWaalsContact O-N 3.15Å |
| 342 | S | 43.3 | Very low | 44.8 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | | | trans | -61.6 | 137.8 | -178.4 | -49.1 | 0 | 0 | 0 | 0 | 112 | | |
| 343 | G | 36.8 | Very low | 44.5 | Very low | 74 Ų | 74 | 141.2 Ų | 141.2 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | | | trans | -177.8 | 87.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | T345 | G343-T345 PolarHBondContact O-N 2.92Š|
| 344 | D | 44.8 | Very low | 44.1 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | | | trans | -59.5 | 121.2 | 177.4 | -170.9 | -3.7 | 0 | 0 | 0 | 110.8 | | |
| 345 | T | 39.5 | Very low | 43.1 | Very low | 136 Ų | 136 | 137 Ų | 137 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | | | trans | 179 | 133.7 | 141 | 26.6 | 0 | 0 | 0 | 0 | 113.5 | G343 | G343-T345 PolarHBondContact O-N 2.92Š|
| 346 | S | 35.8 | Very low | 42.7 | Very low | 91 Ų | 91 | 138.2 Ų | 138.2 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | | | trans | -34.4 | 139.2 | 174.8 | -171.9 | 0 | 0 | 0 | 0 | 118.7 | R348 | S346-R348 PolarHBondContact O-N 3.26Š|
| 347 | P | 46.3 | Very low | 42.4 | Very low | 132 Ų | 132 | 132 Ų | 132 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | | | trans | -77.3 | 91.3 | 171.7 | 32.8 | -33.5 | 0 | 0 | 0 | 111.2 | | |
| 348 | R | 44.9 | Very low | 42.4 | Very low | 232 Ų | 232 | 128.3 Ų | 128.3 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | | | trans | -80.3 | 125.8 | 168.2 | -75.6 | -159.1 | 177.1 | -154.5 | 1.7 | 111.7 | S346 | S346-R348 PolarHBondContact O-N 3.26Š|
| 349 | H | 48.7 | Very low | 42.8 | Very low | 168 Ų | 168 | 132 Ų | 132 | 78% | 0.778 | 81% | 0.805 | S | S | * | * | | | trans | -41.4 | 160.2 | 162.2 | -175.2 | -109 | 0 | 0 | 0 | 114.3 | | |
| 350 | L | 43.3 | Very low | 42.6 | Very low | 149 Ų | 149 | 132.9 Ų | 132.9 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | | | trans | 82.7 | 144.2 | -175.8 | -46.1 | 173.1 | 0 | 0 | 0 | 113.6 | | |
| 351 | S | 42.7 | Very low | 43 | Very low | 98 Ų | 98 | 134.1 Ų | 134.1 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | | | cis | -150.4 | 164.5 | 11.8 | 51.9 | 0 | 0 | 0 | 0 | 113.3 | V353 | S351-V353 PolarHBondContact O-N 3.07Š|
| 352 | N | 45.7 | Very low | 43.3 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | | | trans | -63.3 | 126.8 | 163.3 | -69.6 | -30.1 | 0 | 0 | 0 | 110.3 | S354 | N352-S354 PolarHBondContact O-N 3.2Š|
| 353 | V | 42.6 | Very low | 43.5 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | | | trans | -88.2 | 79.6 | 168.2 | -75.3 | 0 | 0 | 0 | 0 | 111 | S351 | S351-V353 PolarHBondContact O-N 3.07Š|
| 354 | S | 38.8 | Very low | 44.2 | Very low | 98 Ų | 98 | 136.9 Ų | 136.9 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | | | trans | -62.7 | 128.2 | 158.2 | -63.9 | 0 | 0 | 0 | 0 | 109.3 | N352 | N352-S354 PolarHBondContact O-N 3.2Š|
| 355 | S | 37 | Very low | 44.5 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | | | trans | -102.1 | 82.9 | 170.9 | -166 | 0 | 0 | 0 | 0 | 109.9 | | |
| 356 | T | 41.9 | Very low | 45.1 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | | | trans | -108.2 | 92.9 | 172.3 | 48.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 357 | G | 42.9 | Very low | 45.9 | Very low | 76 Ų | 76 | 137 Ų | 137 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | | | trans | -85 | 96.2 | 148.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 358 | S | 44.8 | Very low | 46.2 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | | 63 | 79 | 76.6 | -167.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 359 | I | 48.6 | Very low | 46.9 | Very low | 170 Ų | 170 | 126 Ų | 126 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | | | | -136 | 99.1 | 127.2 | -172.7 | 156.5 | 0 | 0 | 0 | 107.6 | | |
| 360 | D | 41 | Very low | 47.3 | Very low | 144 Ų | 144 | 123 Ų | 123 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | | | trans | -83.2 | 161.4 | 177.2 | -118.2 | -47.6 | 0 | 0 | 0 | 111.4 | V362 | D360-V362 PolarHBondContact O-N 3.48Š|
| 361 | M | 53.2 | Low | 48.1 | Very low | 173 Ų | 173 | 118.5 Ų | 118.5 | 85% | 0.852 | 72% | 0.723 | S | S | * | * | | | trans | -67 | 126.2 | -169.4 | -64.7 | 162.1 | 48.3 | 0 | 0 | 113.5 | | |
| 362 | V | 47.2 | Very low | 49.1 | Very low | 139 Ų | 139 | 119.5 Ų | 119.5 | 84% | 0.842 | 72% | 0.721 | S | S | * | * | | | trans | -132.8 | 120.9 | 143.8 | -73.8 | 0 | 0 | 0 | 0 | 110.2 | D360 | D360-V362 PolarHBondContact O-N 3.48Š|
| 363 | D | 47.7 | Very low | 49.9 | Very low | 145 Ų | 145 | 118.5 Ų | 118.5 | 78% | 0.775 | 71% | 0.711 | S | S | * | * | | | trans | 32.3 | 107.6 | 147.8 | -156.8 | 23.5 | 0 | 0 | 0 | 118.2 | P365 | D363-P365 WeakPolarHBondContact O-CD 3.29Š|
| 364 | S | 49.9 | Very low | 51.2 | Low | 112 Ų | 112 | 116.3 Ų | 116.3 | 78% | 0.783 | 70% | 0.698 | S | S | * | * | | | trans | -87.6 | 109.3 | 166.1 | -70.9 | 0 | 0 | 0 | 0 | 109.8 | Q366 | S364-Q366 PolarHBondContact O-N 3.18Š|
| 365 | P | 52.1 | Low | 52.8 | Low | 109 Ų | 109 | 115.1 Ų | 115.1 | 71% | 0.708 | 69% | 0.69 | S | S | * | * | | | trans | -71.1 | 87.9 | 168.9 | 30 | -33.3 | 0 | 0 | 0 | 109.7 | D363 | D363-P365 WeakPolarHBondContact O-CD 3.29Š|
| 366 | Q | 52.1 | Low | 54.3 | Low | 120 Ų | 120 | 111.6 Ų | 111.6 | 56% | 0.561 | 67% | 0.668 | S | S | * | * | | | trans | 58.8 | 96.6 | 136.9 | -62.4 | 171.9 | -6.7 | 0 | 0 | 117.1 | S364 A368 T369 | S364-Q366 PolarHBondContact O-N 3.18Å; Q366-A368 HydrophobicContact CB-CB 4.24Å; Q366-A368 PolarHBondContact O-N 3.39Å; Q366-T369 HydrophobicContact CB-CG2 4.14Å; Q366-T369 PolarHBondContact O-N 3.45Å; Q366-T369 PolarHBondContact O-OG1 3.29Å |
| 367 | L | 52 | Low | 55.6 | Low | 156 Ų | 156 | 109 Ų | 109 | 82% | 0.817 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -58.5 | -11.5 | 152.5 | -69.9 | 171.4 | 0 | 0 | 0 | 113 | L370 | L367-L370 HydrophobicContact CD2-CD1 4.43Å |
| 368 | A | 53.7 | Low | 56.9 | Low | 65 Ų | 65 | 109.8 Ų | 109.8 | 54% | 0.537 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -71.1 | -35.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q366 L370 A371 D372 | Q366-A368 HydrophobicContact CB-CB 4.24Å; Q366-A368 PolarHBondContact O-N 3.39Å; A368-L370 PolarHBondContact O-N 3.34Å; A368-A371 PolarHBondContact O-N 2.89Å; A368-D372 PolarHBondContact O-N 3.01Å |
| 369 | T | 58.7 | Low | 58.1 | Low | 69 Ų | 69 | 108.1 Ų | 108.1 | 42% | 0.423 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -70.1 | -33.3 | -178.7 | 46.6 | 0 | 0 | 0 | 0 | 112.2 | Q366 A371 D372 E373 | Q366-T369 HydrophobicContact CB-CG2 4.14Å; Q366-T369 PolarHBondContact O-N 3.45Å; Q366-T369 PolarHBondContact O-OG1 3.29Å; T369-A371 VanDerWaalsContact C-N 3.31Å; T369-A371 PolarHBondContact O-N 3.43Å; T369-D372 PolarHBondContact O-N 2.98Å; T369-E373 PolarHBondContact O-N 2.9Å |
| 370 | L | 57.2 | Low | 58.9 | Low | 103 Ų | 103 | 109.2 Ų | 109.2 | 54% | 0.539 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -65.6 | -31.6 | 172.6 | -69.6 | 170.4 | 0 | 0 | 0 | 112.8 | L367 A368 V374 | L367-L370 HydrophobicContact CD2-CD1 4.43Å; A368-L370 PolarHBondContact O-N 3.34Å; L370-V374 VanDerWaalsContact O-CG2 3.29Å; L370-V374 WeakPolarHBondContact O-CG2 3.46Å; L370-V374 PolarHBondContact O-N 3.48Å |
| 371 | A | 61.3 | Low | 60 | Low | 55 Ų | 55 | 109.5 Ų | 109.5 | 46% | 0.455 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -72.2 | -38.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A368 T369 V374 S375 | A368-A371 PolarHBondContact O-N 2.89Å; T369-A371 VanDerWaalsContact C-N 3.31Å; T369-A371 PolarHBondContact O-N 3.43Å; A371-V374 PolarHBondContact O-N 3.32Å; A371-S375 WeakPolarHBondContact O-CB 3.27Å; A371-S375 PolarHBondContact O-N 3.29Å; A371-S375 PolarHBondContact O-OG 3.05Å |
| 372 | D | 62.4 | Low | 60.4 | Low | 120 Ų | 120 | 104.8 Ų | 104.8 | 64% | 0.642 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.8 | -40.3 | 176.6 | -114.1 | 13.3 | 0 | 0 | 0 | 111.9 | A368 T369 V374 S375 A376 | A368-D372 PolarHBondContact O-N 3.01Å; T369-D372 PolarHBondContact O-N 2.98Å; D372-V374 VanDerWaalsContact C-N 3.34Å; D372-V374 PolarHBondContact O-N 3.4Å; D372-S375 PolarHBondContact O-N 3.05Å; D372-A376 VanDerWaalsContact O-CB 3.25Å; D372-A376 WeakPolarHBondContact O-CB 3.45Å; D372-A376 PolarHBondContact O-N 3.5Å |
| 373 | E | 63.7 | Low | 60.8 | Low | 132 Ų | 132 | 107.1 Ų | 107.1 | 62% | 0.617 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.4 | -36.5 | 174.6 | -77.7 | -166.2 | 133.8 | 0 | 0 | 113.1 | T369 S377 | T369-E373 PolarHBondContact O-N 2.9Å; E373-S377 VanDerWaalsContact O-CB 3.27Å; E373-S377 WeakPolarHBondContact O-CB 3.25Å; E373-S377 PolarHBondContact O-N 2.73Å; E373-S377 PolarHBondContact O-OG 3.04Å |
| 374 | V | 69.4 | Low | 61.4 | Low | 94 Ų | 94 | 105.3 Ų | 105.3 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.7 | -42.9 | 175 | 171 | 0 | 0 | 0 | 0 | 111.1 | L370 A371 D372 S377 L378 | L370-V374 VanDerWaalsContact O-CG2 3.29Å; L370-V374 WeakPolarHBondContact O-CG2 3.46Å; L370-V374 PolarHBondContact O-N 3.48Å; A371-V374 PolarHBondContact O-N 3.32Å; D372-V374 VanDerWaalsContact C-N 3.34Å; D372-V374 PolarHBondContact O-N 3.4Å; V374-S377 PolarHBondContact O-N 2.83Å; V374-L378 PolarHBondContact O-N 3.31Å |
| 375 | S | 72.7 | Confident | 62 | Low | 73 Ų | 73 | 104.9 Ų | 104.9 | 51% | 0.51 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.3 | -43.2 | 178 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | A371 D372 S377 L378 A379 | A371-S375 WeakPolarHBondContact O-CB 3.27Å; A371-S375 PolarHBondContact O-N 3.29Å; A371-S375 PolarHBondContact O-OG 3.05Å; D372-S375 PolarHBondContact O-N 3.05Å; S375-S377 VanDerWaalsContact C-N 3.28Å; S375-S377 PolarHBondContact O-N 3.33Å; S375-L378 PolarHBondContact O-N 3.35Å; S375-A379 PolarHBondContact O-N 3.18Å |
| 376 | A | 68.9 | Low | 62.6 | Low | 54 Ų | 54 | 104.7 Ų | 104.7 | 45% | 0.446 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.5 | -28.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D372 K380 | D372-A376 VanDerWaalsContact O-CB 3.25Å; D372-A376 WeakPolarHBondContact O-CB 3.45Å; D372-A376 PolarHBondContact O-N 3.5Å; A376-K380 PolarHBondContact O-N 3.29Å |
| 377 | S | 68.2 | Low | 63.2 | Low | 71 Ų | 71 | 103.8 Ų | 103.8 | 50% | 0.497 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -73.1 | -38.6 | 173.9 | -64.7 | 0 | 0 | 0 | 0 | 112.6 | E373 V374 S375 | E373-S377 VanDerWaalsContact O-CB 3.27Å; E373-S377 WeakPolarHBondContact O-CB 3.25Å; E373-S377 PolarHBondContact O-N 2.73Å; E373-S377 PolarHBondContact O-OG 3.04Å; V374-S377 PolarHBondContact O-N 2.83Å; S375-S377 VanDerWaalsContact C-N 3.28Å; S375-S377 PolarHBondContact O-N 3.33Å |
| 378 | L | 70.5 | Confident | 63.9 | Low | 91 Ų | 91 | 100.5 Ų | 100.5 | 48% | 0.476 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.8 | -46.6 | 172.1 | -106.5 | 74.2 | 0 | 0 | 0 | 111.8 | V374 S375 K380 Q381 G382 | V374-L378 PolarHBondContact O-N 3.31Å; S375-L378 PolarHBondContact O-N 3.35Å; L378-K380 PolarHBondContact O-N 3.24Å; L378-Q381 WeakPolarHBondContact O-CA 3.15Å; L378-Q381 PolarHBondContact O-N 2.86Å; L378-G382 PolarHBondContact O-N 3Å |
| 379 | A | 68.7 | Low | 64.6 | Low | 76 Ų | 76 | 102.9 Ų | 102.9 | 63% | 0.628 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -59.5 | -30.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S375 Q381 G382 | S375-A379 PolarHBondContact O-N 3.18Å; A379-Q381 VanDerWaalsContact C-N 3.32Å; A379-G382 PolarHBondContact O-N 3.1Å |
| 380 | K | 65.4 | Low | 65 | Low | 192 Ų | 192 | 105.3 Ų | 105.3 | 84% | 0.835 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -15.3 | 173.2 | -80.2 | 179 | 177.1 | 172.3 | 0 | 114.5 | A376 L378 | A376-K380 PolarHBondContact O-N 3.29Å; L378-K380 PolarHBondContact O-N 3.24Å |
| 381 | Q | 65.2 | Low | 65.6 | Low | 151 Ų | 151 | 105.5 Ų | 105.5 | 71% | 0.706 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -3.3 | 175 | -68.2 | -173.8 | -18.7 | 0 | 0 | 113.2 | L378 A379 | L378-Q381 WeakPolarHBondContact O-CA 3.15Å; L378-Q381 PolarHBondContact O-N 2.86Å; A379-Q381 VanDerWaalsContact C-N 3.32Å |
| 382 | G | 62.4 | Low | 65.9 | Low | 74 Ų | 74 | 109.7 Ų | 109.7 | 76% | 0.763 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.5 | 33.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L378 A379 | L378-G382 PolarHBondContact O-N 3Å; A379-G382 PolarHBondContact O-N 3.1Å |
| 383 | L | 53.7 | Low | 66.3 | Low | 188 Ų | 188 | 108.7 Ų | 108.7 | 98% | 0.984 | 64% | 0.639 | S | S | * | * | | | trans | -108.1 | 0 | 176.6 | -100.8 | 159.5 | 0 | 0 | 0 | 111.3 | | |