| 1 | M | 42.1 | Very low | 43.3 | Very low | 250 Ų | 250 | 121.4 Ų | 121.4 | 100% | 1.232 | 81% | 0.809 | S | S | * | * | | | | 0 | 148.5 | 0 | -77.4 | 156.8 | 153.2 | 0 | 0 | 108.5 | | |
| 2 | L | 42.1 | Very low | 43 | Very low | 153 Ų | 153 | 125.1 Ų | 125.1 | 80% | 0.801 | 81% | 0.814 | S | S | * | * | | | trans | -97.3 | 166.9 | 169.6 | -98.7 | 167.8 | 0 | 0 | 0 | 108.7 | | |
| 3 | P | 65.7 | Low | 42.2 | Very low | 119 Ų | 119 | 120.2 Ų | 120.2 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | cis | -114.9 | 163.5 | 47.7 | 5.6 | 19.9 | 0 | 0 | 0 | 114.1 | | |
| 4 | S | 45.1 | Very low | 42 | Very low | 92 Ų | 92 | 129.6 Ų | 129.6 | 64% | 0.643 | 81% | 0.812 | S | S | * | * | | | cis | 78.4 | 136.9 | 39.3 | -151.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 5 | Q | 47.3 | Very low | 41.4 | Very low | 181 Ų | 181 | 125.5 Ų | 125.5 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | | | cis | -149.5 | -167 | 13 | -144 | -165.8 | 123.6 | 0 | 0 | 108.2 | | |
| 6 | A | 44.2 | Very low | 41.1 | Very low | 78 Ų | 78 | 125.9 Ų | 125.9 | 65% | 0.645 | 81% | 0.811 | S | S | * | * | | | cis | -162.6 | 175.7 | 2.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 7 | G | 34.3 | Very low | 40.8 | Very low | 71 Ų | 71 | 123.1 Ų | 123.1 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | | | trans | 83.6 | 111.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 8 | A | 38.3 | Very low | 40.6 | Very low | 106 Ų | 106 | 126.1 Ų | 126.1 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | | | cis | 70.2 | 134.1 | 35.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 9 | A | 39 | Very low | 40.1 | Very low | 100 Ų | 100 | 123.9 Ų | 123.9 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | | | cis | -172.6 | 166.2 | -7.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 10 | A | 38.4 | Very low | 39.7 | Very low | 92 Ų | 92 | 121.6 Ų | 121.6 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | | | cis | -174.7 | -173.8 | -23.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 11 | A | 39.9 | Very low | 39.3 | Very low | 93 Ų | 93 | 121.3 Ų | 121.3 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | | | trans | 74.7 | 152.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 12 | L | 39.2 | Very low | 39 | Very low | 166 Ų | 166 | 116.2 Ų | 116.2 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | | | cis | -162.2 | 164.8 | -16.5 | -114.5 | 173.6 | 0 | 0 | 0 | 111.4 | | |
| 13 | G | 33.6 | Very low | 38.6 | Very low | 62 Ų | 62 | 115.6 Ų | 115.6 | 64% | 0.639 | 79% | 0.786 | S | S | * | * | | | trans | 89.8 | 108.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 14 | R | 38.3 | Very low | 37.1 | Very low | 252 Ų | 252 | 121.7 Ų | 121.7 | 95% | 0.951 | 79% | 0.793 | S | S | * | * | | | | 58.1 | 124.9 | 58.6 | -61.3 | -173.3 | 168.5 | -156.6 | -2.2 | 113.6 | | |
| 15 | G | 33.1 | Very low | 36.7 | Very low | 68 Ų | 68 | 123.6 Ų | 123.6 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | | | cis | 137 | 163.4 | -7.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 16 | S | 36.3 | Very low | 36.7 | Very low | 131 Ų | 131 | 120 Ų | 120 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | | | trans | 67.1 | 155.6 | 174 | -59.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 17 | A | 37.1 | Very low | 36.3 | Very low | 79 Ų | 79 | 123.1 Ų | 123.1 | 65% | 0.653 | 81% | 0.805 | S | S | * | * | | | cis | -171.4 | 148.3 | -27.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 18 | L | 36.8 | Very low | 36.1 | Very low | 177 Ų | 177 | 123.7 Ų | 123.7 | 93% | 0.927 | 81% | 0.81 | S | S | * | * | | | trans | 42.1 | 125.2 | 140.8 | -60 | 170.9 | 0 | 0 | 0 | 122.4 | | |
| 19 | G | 31.4 | Very low | 36 | Very low | 84 Ų | 84 | 129.9 Ų | 129.9 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | | | trans | 116.2 | 148.4 | 132.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 20 | G | 31.9 | Very low | 36.2 | Very low | 77 Ų | 77 | 131.4 Ų | 131.4 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | | | trans | 173.8 | -40.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 21 | S | 32.2 | Very low | 35.8 | Very low | 116 Ų | 116 | 130 Ų | 130 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | trans | 59.8 | 164.3 | 168.8 | -147 | 0 | 0 | 0 | 0 | 120.9 | | |
| 22 | L | 35.5 | Very low | 35.5 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 75% | 0.749 | 82% | 0.816 | S | S | * | * | | | trans | 73.1 | 101.4 | 157.8 | -72 | 157.8 | 0 | 0 | 0 | 122.7 | | |
| 23 | N | 34 | Very low | 35.1 | Very low | 141 Ų | 141 | 128 Ų | 128 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | | | | 41.4 | 121.8 | 127.5 | -70 | -11 | 0 | 0 | 0 | 121.9 | | |
| 24 | R | 32.3 | Very low | 35 | Very low | 247 Ų | 247 | 128.6 Ų | 128.6 | 93% | 0.932 | 82% | 0.82 | S | S | * | * | | | | -167.9 | 138 | 121.5 | -99.8 | 151.8 | -153.4 | -103.5 | 6.2 | 113 | | |
| 25 | T | 36.7 | Very low | 34.6 | Very low | 131 Ų | 131 | 120.5 Ų | 120.5 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | -117.4 | 177.3 | 154.7 | 59.2 | 0 | 0 | 0 | 0 | 106.7 | | |
| 26 | P | 48.5 | Very low | 34.7 | Very low | 106 Ų | 106 | 123.7 Ų | 123.7 | 69% | 0.688 | 82% | 0.821 | S | S | * | * | | | cis | -134.7 | -149 | 3.5 | 40.3 | -19 | 0 | 0 | 0 | 113.2 | | |
| 27 | T | 34.7 | Very low | 34.6 | Very low | 144 Ų | 144 | 128.8 Ų | 128.8 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | | | trans | 87.6 | 146.7 | 169.1 | 76.3 | 0 | 0 | 0 | 0 | 117.9 | | |
| 28 | G | 30.3 | Very low | 34.3 | Very low | 82 Ų | 82 | 129 Ų | 129 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | | | trans | 134.5 | 91 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 29 | R | 36.4 | Very low | 34.3 | Very low | 237 Ų | 237 | 124.6 Ų | 124.6 | 89% | 0.894 | 82% | 0.819 | S | S | * | * | | | trans | -138.6 | 122 | 168.8 | -168.4 | -169 | -173.2 | -147.5 | 4.7 | 109.3 | | |
| 30 | P | 42.7 | Very low | 34.4 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | | | | -134.9 | 174.7 | 113.7 | 29.5 | -13.3 | 0 | 0 | 0 | 110.9 | | |
| 31 | G | 31.4 | Very low | 34.3 | Very low | 62 Ų | 62 | 129.2 Ų | 129.2 | 64% | 0.639 | 83% | 0.825 | S | S | * | * | | | cis | 154.8 | 138.9 | -7.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 32 | S | 32.4 | Very low | 34.3 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 97% | 0.965 | 82% | 0.824 | S | S | * | * | | | trans | 68.9 | 153.3 | 168 | -150 | 0 | 0 | 0 | 0 | 118.9 | | |
| 33 | G | 31.3 | Very low | 34 | Very low | 79 Ų | 79 | 132.4 Ų | 132.4 | 81% | 0.814 | 83% | 0.833 | S | S | * | * | | | trans | 157.8 | 53.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 34 | G | 30.8 | Very low | 34 | Very low | 75 Ų | 75 | 132 Ų | 132 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | | | trans | -93 | 128.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 35 | G | 31.3 | Very low | 34.9 | Very low | 82 Ų | 82 | 126.2 Ų | 126.2 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | | | trans | -98.2 | 135.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 36 | T | 35.3 | Very low | 34.6 | Very low | 135 Ų | 135 | 123.5 Ų | 123.5 | 83% | 0.828 | 83% | 0.828 | S | S | * | * | | | trans | -113.2 | 137.1 | -171.4 | 48.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 37 | R | 33.9 | Very low | 33.8 | Very low | 238 Ų | 238 | 127 Ų | 127 | 90% | 0.898 | 84% | 0.84 | S | S | * | * | | | trans | 17.7 | 120.5 | 148.5 | -71.9 | 173.4 | 152 | 176.8 | -8.2 | 119.1 | | |
| 38 | G | 29.9 | Very low | 33.5 | Very low | 82 Ų | 82 | 123.6 Ų | 123.6 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | | | trans | -97.7 | 151.6 | 133 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 39 | A | 36.7 | Very low | 33.6 | Very low | 86 Ų | 86 | 125.1 Ų | 125.1 | 71% | 0.711 | 84% | 0.839 | S | S | * | * | | | trans | -152.3 | 140.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 40 | N | 33.2 | Very low | 33.2 | Very low | 178 Ų | 178 | 117 Ų | 117 | 95% | 0.952 | 83% | 0.829 | S | S | * | * | | | trans | 171.8 | 139.6 | 159.8 | -90.5 | -26 | 0 | 0 | 0 | 106 | | |
| 41 | G | 30.6 | Very low | 32.7 | Very low | 80 Ų | 80 | 119.5 Ų | 119.5 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | | | cis | -168.4 | 168.7 | -12.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 42 | G | 32.3 | Very low | 32.6 | Very low | 77 Ų | 77 | 119.9 Ų | 119.9 | 79% | 0.794 | 84% | 0.838 | S | S | * | * | | | cis | 144.4 | 67.9 | 6.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 43 | R | 29.9 | Very low | 33.2 | Very low | 248 Ų | 248 | 119.9 Ų | 119.9 | 94% | 0.936 | 84% | 0.835 | S | S | * | * | | | trans | -162.6 | 152.3 | 167.5 | -117 | 173.2 | -178.6 | -152.6 | -2.9 | 114.2 | | |
| 44 | V | 33 | Very low | 32.9 | Very low | 133 Ų | 133 | 119.4 Ų | 119.4 | 81% | 0.806 | 83% | 0.83 | S | S | * | * | | | trans | -161.6 | 163.6 | -168.5 | -169.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 45 | P | 51.7 | Low | 32.8 | Very low | 125 Ų | 125 | 126.8 Ų | 126.8 | 81% | 0.812 | 84% | 0.835 | S | S | * | * | | | cis | -112.7 | -169.1 | -49 | 38.3 | -23.4 | 0 | 0 | 0 | 112 | | |
| 46 | G | 30.4 | Very low | 32.8 | Very low | 75 Ų | 75 | 130.1 Ų | 130.1 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | | | trans | -177.3 | 137.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 47 | N | 30.6 | Very low | 32.4 | Very low | 178 Ų | 178 | 131.3 Ų | 131.3 | 95% | 0.952 | 83% | 0.829 | S | S | * | * | | | trans | -92.4 | 168.6 | -173.3 | -69 | -12.7 | 0 | 0 | 0 | 114.9 | | |
| 48 | G | 30.2 | Very low | 32.2 | Very low | 74 Ų | 74 | 129.6 Ų | 129.6 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | | | trans | 118.8 | 115.4 | 159.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 49 | A | 31.3 | Very low | 32.1 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 94% | 0.942 | 82% | 0.815 | S | S | * | * | | | cis | 91.9 | 125.4 | 20.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 50 | G | 28.9 | Very low | 31.7 | Very low | 66 Ų | 66 | 133 Ų | 133 | 68% | 0.68 | 82% | 0.817 | S | S | * | * | | | trans | 133 | 119.1 | -173 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 51 | L | 32.5 | Very low | 31.5 | Very low | 184 Ų | 184 | 129.4 Ų | 129.4 | 96% | 0.963 | 81% | 0.811 | S | S | * | * | | | cis | 68 | 127.3 | 33.3 | -47.9 | 174.7 | 0 | 0 | 0 | 112.4 | | |
| 52 | G | 29.5 | Very low | 31.3 | Very low | 70 Ų | 70 | 130.1 Ų | 130.1 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | | | cis | -155.2 | -130.9 | -4.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 53 | P | 43.3 | Very low | 31.1 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 90% | 0.903 | 81% | 0.812 | S | S | * | * | | | cis | -102.5 | -159.9 | -40.1 | 36.3 | -19.5 | 0 | 0 | 0 | 109.2 | | |
| 54 | G | 26.6 | Very low | 31.1 | Very low | 69 Ų | 69 | 124.4 Ų | 124.4 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | | | cis | 139.1 | 121.2 | -17.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 55 | R | 28 | Very low | 30.9 | Very low | 229 Ų | 229 | 122.6 Ų | 122.6 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | trans | 84.2 | 163.7 | 155.6 | -155.8 | 171.8 | -176.5 | -177.4 | 1.5 | 119.8 | | |
| 56 | L | 30.6 | Very low | 30 | Very low | 153 Ų | 153 | 122.8 Ų | 122.8 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | | | trans | 79.8 | 109.6 | -176 | -53.3 | 177 | 0 | 0 | 0 | 112.2 | | |
| 57 | E | 28.5 | Very low | 30 | Very low | 160 Ų | 160 | 125 Ų | 125 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | | | cis | 68.3 | 115.4 | 22.4 | -89.2 | -147.1 | 115.5 | 0 | 0 | 117.6 | | |
| 58 | R | 29.9 | Very low | 30.4 | Very low | 202 Ų | 202 | 122.6 Ų | 122.6 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | | | trans | 87 | 93.3 | 140.9 | -154.4 | 160.8 | -159.5 | 175 | 6.6 | 121.8 | | |
| 59 | E | 27.7 | Very low | 30.3 | Very low | 151 Ų | 151 | 123.1 Ų | 123.1 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | | | | 55 | 121 | 112.1 | -156.7 | -174.6 | -161.1 | 0 | 0 | 120.5 | | |
| 60 | A | 27.6 | Very low | 31 | Very low | 89 Ų | 89 | 123.3 Ų | 123.3 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | | 144.3 | 148.5 | 118.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 61 | A | 28.9 | Very low | 31.1 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | 67.4 | 155 | 148.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 62 | A | 27.2 | Very low | 31.1 | Very low | 95 Ų | 95 | 122.5 Ų | 122.5 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | cis | -171.2 | 152.3 | -27.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 63 | A | 28 | Very low | 31.2 | Very low | 102 Ų | 102 | 122.8 Ų | 122.8 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | -168.8 | 119.6 | 150.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 64 | A | 28.5 | Very low | 30.7 | Very low | 102 Ų | 102 | 120.6 Ų | 120.6 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | cis | 98.7 | 79.3 | 14.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 65 | A | 29.9 | Very low | 31.1 | Very low | 96 Ų | 96 | 125.8 Ų | 125.8 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | | | trans | -174.4 | 150.6 | 153.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 66 | T | 32 | Very low | 31.4 | Very low | 128 Ų | 128 | 126 Ų | 126 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | cis | -156.2 | 154.9 | -25.3 | -78.1 | 0 | 0 | 0 | 0 | 108 | | |
| 67 | T | 31.5 | Very low | 31.6 | Very low | 123 Ų | 123 | 123 Ų | 123 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | | | trans | -56.1 | 157.6 | 176.2 | 6.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 68 | P | 37.5 | Very low | 31.8 | Very low | 126 Ų | 126 | 118.9 Ų | 118.9 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | | -142.1 | 162.8 | 66.1 | 38.8 | -20.4 | 0 | 0 | 0 | 118.3 | | |
| 69 | A | 28.7 | Very low | 32.3 | Very low | 85 Ų | 85 | 115.1 Ų | 115.1 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | | | trans | -104 | -172.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 70 | P | 47 | Very low | 32.5 | Very low | 119 Ų | 119 | 117.4 Ų | 117.4 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | cis | -123.9 | -167.2 | 23 | 30 | -3.8 | 0 | 0 | 0 | 112.1 | | |
| 71 | T | 30.7 | Very low | 33.2 | Very low | 124 Ų | 124 | 117 Ų | 117 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | | | cis | -154.6 | 140.9 | 31.4 | 50.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 72 | A | 31.6 | Very low | 33.3 | Very low | 109 Ų | 109 | 119.5 Ų | 119.5 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | | | trans | 42 | 133 | 141.7 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 73 | G | 31.2 | Very low | 33.9 | Very low | 75 Ų | 75 | 120.2 Ų | 120.2 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | trans | 135.8 | 76.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 74 | A | 32.7 | Very low | 34.2 | Very low | 93 Ų | 93 | 125 Ų | 125 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | | | | 80.5 | 103.4 | 76.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 75 | L | 34.9 | Very low | 34.4 | Very low | 179 Ų | 179 | 125.2 Ų | 125.2 | 94% | 0.937 | 81% | 0.808 | S | S | * | * | | | trans | 46.3 | 119.9 | 149.5 | -55 | 174.6 | 0 | 0 | 0 | 120.9 | | |
| 76 | Y | 34.7 | Very low | 34.7 | Very low | 232 Ų | 232 | 124 Ų | 124 | 91% | 0.91 | 81% | 0.805 | S | S | * | * | | | | -168.7 | 175.6 | 116.3 | -171.4 | -127.2 | 0 | 0 | 0 | 111.1 | | |
| 77 | S | 36.1 | Very low | 34.8 | Very low | 91 Ų | 91 | 126.8 Ų | 126.8 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | | | trans | -119.8 | 143 | -176.4 | 179.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 78 | G | 30.6 | Very low | 35.3 | Very low | 73 Ų | 73 | 129.8 Ų | 129.8 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | | | trans | -177.3 | 121 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 79 | S | 41.1 | Very low | 35.2 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | | | trans | -125.8 | 99.3 | 174.3 | -66.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 80 | E | 31.6 | Very low | 35.6 | Very low | 199 Ų | 199 | 136.5 Ų | 136.5 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | | | trans | -127 | 136.8 | 168.6 | -64.6 | -170.5 | 132.9 | 0 | 0 | 108 | | |
| 81 | G | 42.3 | Very low | 35 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | | | trans | -135.3 | 100.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 82 | D | 32.1 | Very low | 35 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 83% | 0.834 | 83% | 0.826 | S | S | * | * | | | trans | -89 | 152.4 | -175 | -119.4 | -57.5 | 0 | 0 | 0 | 112.7 | | |
| 83 | S | 38.3 | Very low | 35.1 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | | | trans | -155 | 85.6 | 179.2 | -73.9 | 0 | 0 | 0 | 0 | 108.8 | S85 | S83-S85 PolarHBondContact O-N 3.48Š|
| 84 | E | 35 | Very low | 35.4 | Very low | 201 Ų | 201 | 139.7 Ų | 139.7 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | | | trans | -60.8 | 129.1 | -176 | -167.5 | 176.7 | 87.2 | 0 | 0 | 111.8 | | |
| 85 | S | 34 | Very low | 35.9 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | | | trans | -114.9 | 110 | -178.8 | 58.4 | 0 | 0 | 0 | 0 | 110.9 | S83 E87 | S83-S85 PolarHBondContact O-N 3.48Å; S85-E87 PolarHBondContact O-N 3.45Å; S85-E87 VanDerWaalsContact O-N 3.15Å |
| 86 | G | 35.5 | Very low | 35.9 | Very low | 71 Ų | 71 | 148.4 Ų | 148.4 | 73% | 0.732 | 82% | 0.822 | S | S | * | * | | | trans | -75.5 | 98.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 87 | E | 33.3 | Very low | 35.9 | Very low | 185 Ų | 185 | 141 Ų | 141 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | | | trans | 46.7 | 171.1 | 135.7 | 71.5 | -162.1 | 144.3 | 0 | 0 | 122.1 | S85 | S85-E87 PolarHBondContact O-N 3.45Å; S85-E87 VanDerWaalsContact O-N 3.15Å |
| 88 | E | 41.6 | Very low | 35.7 | Very low | 187 Ų | 187 | 145.4 Ų | 145.4 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | | | trans | -156 | 142.6 | -145.9 | 61.6 | -163 | 108.4 | 0 | 0 | 114.6 | | |
| 89 | E | 35.6 | Very low | 36 | Very low | 185 Ų | 185 | 151.8 Ų | 151.8 | 86% | 0.864 | 84% | 0.836 | S | S | * | * | | | trans | -157.8 | 120.6 | 147.2 | -100.5 | -169.4 | 141.5 | 0 | 0 | 106.4 | | |
| 90 | E | 37.3 | Very low | 35.9 | Very low | 167 Ų | 167 | 157.6 Ų | 157.6 | 78% | 0.78 | 84% | 0.839 | S | S | * | * | | | | 63.1 | 123.5 | 83.5 | -125.1 | -179.2 | 111 | 0 | 0 | 112.7 | | |
| 91 | L | 35.7 | Very low | 35.8 | Very low | 156 Ų | 156 | 154 Ų | 154 | 82% | 0.817 | 84% | 0.835 | S | S | * | * | | | cis | -144.7 | 157 | 40.4 | -75 | 145.6 | 0 | 0 | 0 | 115.3 | | |
| 92 | G | 30.8 | Very low | 35.5 | Very low | 80 Ų | 80 | 158.2 Ų | 158.2 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | | | trans | 94.9 | 71.6 | 139.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 93 | A | 33 | Very low | 35.8 | Very low | 104 Ų | 104 | 155.8 Ų | 155.8 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | | | trans | -138.6 | 90.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R95 | A93-R95 PolarHBondContact O-N 3.01Š|
| 94 | E | 36.5 | Very low | 35.6 | Very low | 153 Ų | 153 | 160.1 Ų | 160.1 | 72% | 0.715 | 84% | 0.842 | S | S | * | * | | | trans | -74.4 | 108.5 | -179 | -175.5 | 88.4 | 122.3 | 0 | 0 | 112 | | |
| 95 | R | 43.8 | Very low | 35.8 | Very low | 208 Ų | 208 | 159.2 Ų | 159.2 | 79% | 0.785 | 84% | 0.84 | S | S | * | * | | | trans | 42.3 | 131.7 | 148.6 | -50 | 176 | -149.9 | -125.5 | -4.8 | 117.5 | A93 | A93-R95 PolarHBondContact O-N 3.01Š|
| 96 | R | 35.5 | Very low | 35.9 | Very low | 247 Ų | 247 | 162.7 Ų | 162.7 | 93% | 0.932 | 84% | 0.844 | S | S | * | * | | | | -170.9 | 122.9 | 58.3 | -172.2 | 174.9 | -170.8 | 157.9 | 0.9 | 110.4 | | |
| 97 | G | 33.5 | Very low | 35.9 | Very low | 77 Ų | 77 | 166.8 Ų | 166.8 | 79% | 0.794 | 85% | 0.848 | S | S | * | * | | | trans | -82.8 | 146.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 98 | M | 32.1 | Very low | 35.8 | Very low | 184 Ų | 184 | 161.8 Ų | 161.8 | 91% | 0.906 | 85% | 0.845 | S | S | * | * | | | trans | -112.2 | 101.8 | 169.4 | -159 | 71.1 | 174.1 | 0 | 0 | 108.9 | | |
| 99 | K | 36.2 | Very low | 35.2 | Very low | 207 Ų | 207 | 161.6 Ų | 161.6 | 90% | 0.9 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 149.1 | 172.5 | -86.5 | -170.5 | 175.6 | -177.9 | 0 | 109.9 | | |
| 100 | R | 40.6 | Very low | 35.2 | Very low | 246 Ų | 246 | 157.9 Ų | 157.9 | 93% | 0.928 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 120 | 173.6 | -50.7 | 173.9 | -163.8 | 96.4 | 8.1 | 107.3 | | |
| 101 | S | 29.7 | Very low | 35 | Very low | 122 Ų | 122 | 156.7 Ų | 156.7 | 85% | 0.853 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 146.1 | 165.4 | 42 | 0 | 0 | 0 | 0 | 110 | | |
| 102 | L | 34.7 | Very low | 34.7 | Very low | 169 Ų | 169 | 152.6 Ų | 152.6 | 89% | 0.885 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 172.5 | 171.3 | -151.8 | 80.3 | 0 | 0 | 0 | 109.7 | | |
| 103 | S | 40 | Very low | 34.9 | Very low | 105 Ų | 105 | 152.6 Ų | 152.6 | 73% | 0.734 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 140.7 | 176.9 | 50.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 104 | E | 32.6 | Very low | 36.2 | Very low | 201 Ų | 201 | 153.7 Ų | 153.7 | 94% | 0.939 | 83% | 0.834 | S | S | * | * | | | trans | -137.4 | 154.8 | 146.8 | -158.3 | 169.4 | 142.9 | 0 | 0 | 108.1 | | |
| 105 | M | 39.8 | Very low | 35.9 | Very low | 181 Ų | 181 | 155.5 Ų | 155.5 | 89% | 0.892 | 84% | 0.843 | S | S | * | * | | | trans | -154.3 | 94.7 | -162.8 | 178.3 | 178.7 | 173.8 | 0 | 0 | 111.6 | | |
| 106 | E | 35.4 | Very low | 35.7 | Very low | 182 Ų | 182 | 149.7 Ų | 149.7 | 85% | 0.85 | 84% | 0.839 | S | S | * | * | | | trans | -148.7 | 147.3 | 161.1 | -144.5 | 171.7 | 121.3 | 0 | 0 | 115.3 | | |
| 107 | I | 35.6 | Very low | 35.7 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 81% | 0.805 | 84% | 0.838 | S | S | * | * | | | trans | -6.4 | 134.1 | 168.9 | -62.1 | 161.7 | 0 | 0 | 0 | 119.6 | | |
| 108 | G | 31.1 | Very low | 35.8 | Very low | 79 Ų | 79 | 145.1 Ų | 145.1 | 81% | 0.814 | 84% | 0.839 | S | S | * | * | | | trans | -158.1 | 116.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 109 | M | 30.3 | Very low | 36.1 | Very low | 183 Ų | 183 | 140.9 Ų | 140.9 | 90% | 0.901 | 83% | 0.833 | S | S | * | * | | | trans | -78.9 | 165.4 | 173.4 | -122.9 | -171.5 | 173.1 | 0 | 0 | 110.6 | | |
| 110 | V | 34.9 | Very low | 36.3 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 66% | 0.655 | 82% | 0.824 | S | S | * | * | | | cis | -165.7 | 166.6 | 7.2 | 70.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 111 | V | 32.9 | Very low | 36.2 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | | | trans | 62.8 | 136.6 | 167.4 | 177 | 0 | 0 | 0 | 0 | 116.9 | | |
| 112 | G | 30.3 | Very low | 36.6 | Very low | 71 Ų | 71 | 127.7 Ų | 127.7 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | | | cis | 157.8 | 158.7 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 113 | G | 33.8 | Very low | 36.7 | Very low | 80 Ų | 80 | 123.6 Ų | 123.6 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | 101.6 | 127.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 114 | P | 60.2 | Low | 36.9 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -105 | 150.1 | 172.8 | 37.9 | -30.7 | 0 | 0 | 0 | 112.9 | | |
| 115 | E | 30.9 | Very low | 37.3 | Very low | 192 Ų | 192 | 122.4 Ų | 122.4 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | | | trans | -172.9 | 167.7 | 150.1 | -107.6 | -80.7 | 46.6 | 0 | 0 | 110.8 | | |
| 116 | A | 38.7 | Very low | 37.9 | Very low | 85 Ų | 85 | 119.4 Ų | 119.4 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | | | trans | -89.6 | 154.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 117 | S | 35.8 | Very low | 38.3 | Very low | 131 Ų | 131 | 117.7 Ų | 117.7 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | | | trans | -165.5 | 172.3 | 136.7 | 47.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 118 | A | 37.1 | Very low | 39.1 | Very low | 97 Ų | 97 | 115.2 Ų | 115.2 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | | | trans | -127.6 | 171.8 | -157.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 119 | A | 38.2 | Very low | 40.2 | Very low | 96 Ų | 96 | 114.8 Ų | 114.8 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | | | trans | 92.5 | 144.7 | 150.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 120 | A | 39.6 | Very low | 41.3 | Very low | 85 Ų | 85 | 110.5 Ų | 110.5 | 70% | 0.702 | 78% | 0.781 | S | S | * | * | | | trans | 71.9 | 101.2 | 147.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 121 | T | 39.5 | Very low | 42.5 | Very low | 151 Ų | 151 | 110.4 Ų | 110.4 | 93% | 0.926 | 78% | 0.781 | S | S | * | * | | | | 61 | 88.1 | 118.9 | -45.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 122 | G | 37.5 | Very low | 43.6 | Very low | 62 Ų | 62 | 109.2 Ų | 109.2 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | | | trans | -150.7 | 21.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y124 | G122-Y124 PolarHBondContact O-N 3.23Š|
| 123 | G | 35.9 | Very low | 45.3 | Very low | 82 Ų | 82 | 108.3 Ų | 108.3 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | | | trans | -75.8 | 67 | -166.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | G125 | G123-G125 PolarHBondContact O-N 3.26Š|
| 124 | Y | 44.5 | Very low | 46.8 | Very low | 232 Ų | 232 | 106.1 Ų | 106.1 | 91% | 0.91 | 74% | 0.744 | S | S | * | * | | | trans | -73.5 | 65.4 | 170.8 | -70.6 | -82.3 | 0 | 0 | 0 | 112.2 | G122 | G122-Y124 PolarHBondContact O-N 3.23Š|
| 125 | G | 42 | Very low | 47.5 | Very low | 50 Ų | 50 | 108.1 Ų | 108.1 | 52% | 0.515 | 74% | 0.739 | S | S | . | * | | | trans | -64.4 | 137.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | G123 V127 | G123-G125 PolarHBondContact O-N 3.26Å; G125-V127 PolarHBondContact O-N 2.7Å |
| 126 | P | 52.2 | Low | 49.6 | Very low | 117 Ų | 117 | 105.4 Ų | 105.4 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | | | trans | -67 | 111.4 | -178.3 | 26.6 | -33.7 | 0 | 0 | 0 | 110.1 | S128 | P126-S128 VanDerWaalsContact C-N 3.29Å; P126-S128 PolarHBondContact O-N 2.64Å |
| 127 | V | 43.5 | Very low | 51.7 | Low | 146 Ų | 146 | 105.6 Ų | 105.6 | 89% | 0.885 | 75% | 0.748 | S | S | * | * | | | trans | -68.4 | 89.1 | -179.9 | -49.5 | 0 | 0 | 0 | 0 | 109.5 | G125 G129 | G125-V127 PolarHBondContact O-N 2.7Å; V127-G129 PolarHBondContact O-N 3.36Å |
| 128 | S | 51.9 | Low | 54.1 | Low | 105 Ų | 105 | 106.4 Ų | 106.4 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | | | trans | -69.2 | 96.5 | 177.4 | -69.1 | 0 | 0 | 0 | 0 | 108.1 | P126 A130 | P126-S128 VanDerWaalsContact C-N 3.29Å; P126-S128 PolarHBondContact O-N 2.64Å; S128-A130 VanDerWaalsContact C-N 3.28Å; S128-A130 PolarHBondContact O-N 3.18Å |
| 129 | G | 53.7 | Low | 56.7 | Low | 70 Ų | 70 | 111.9 Ų | 111.9 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | | | trans | -60 | 85.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V127 V131 | V127-G129 PolarHBondContact O-N 3.36Å; G129-V131 PolarHBondContact O-N 3.46Å |
| 130 | A | 54.8 | Low | 59.3 | Low | 94 Ų | 94 | 112 Ų | 112 | 78% | 0.777 | 73% | 0.733 | S | S | * | * | | | trans | -69.4 | 91.7 | -174 | 0 | 0 | 0 | 0 | 0 | 110.4 | S128 S132 | S128-A130 VanDerWaalsContact C-N 3.28Å; S128-A130 PolarHBondContact O-N 3.18Å; A130-S132 PolarHBondContact O-N 3.5Å |
| 131 | V | 60.5 | Low | 61.8 | Low | 105 Ų | 105 | 115.3 Ų | 115.3 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | | | trans | -58.7 | 108.3 | 177.2 | -70.2 | 0 | 0 | 0 | 0 | 110.1 | G129 G133 A134 | G129-V131 PolarHBondContact O-N 3.46Å; V131-G133 PolarHBondContact O-N 3.11Å; V131-A134 HydrophobicContact CG2-CB 4.01Å; V131-A134 PolarHBondContact O-N 3.44Å |
| 132 | S | 55.2 | Low | 64.4 | Low | 117 Ų | 117 | 110.6 Ų | 110.6 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | 123.7 | -165.3 | -171.6 | 0 | 0 | 0 | 0 | 112.4 | A130 | A130-S132 PolarHBondContact O-N 3.5Š|
| 133 | G | 66.2 | Low | 67.1 | Low | 52 Ų | 52 | 120 Ų | 120 | 54% | 0.536 | 72% | 0.724 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 89.9 | 8.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | V131 R141 | V131-G133 PolarHBondContact O-N 3.11Å; G133-R141 WeakPolarHBondContact O-CD 3.36Å |
| 134 | A | 64.6 | Low | 70 | Confident | 34 Ų | 34 | 119.3 Ų | 119.3 | 28% | 0.281 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -71.6 | 134.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | V131 | V131-A134 HydrophobicContact CG2-CB 4.01Å; V131-A134 PolarHBondContact O-N 3.44Å |
| 135 | K | 75.5 | Confident | 72.4 | Confident | 168 Ų | 168 | 118 Ų | 118 | 73% | 0.73 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -68 | 137 | 168.3 | -70 | -166.6 | 176.2 | -168.1 | 0 | 108.5 | G137 K138 | K135-G137 PolarHBondContact O-N 2.91Å; K135-K138 PolarHBondContact O-N 2.98Å; K135-K138 VanDerWaalsContact O-N 3.16Å |
| 136 | P | 74.1 | Confident | 75.1 | Confident | 134 Ų | 134 | 118.4 Ų | 118.4 | 87% | 0.87 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | 138.6 | 177.5 | 22.3 | -32.7 | 0 | 0 | 0 | 110.5 | | |
| 137 | G | 84.3 | Confident | 77.2 | Confident | 89 Ų | 89 | 119.7 Ų | 119.7 | 92% | 0.918 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.2 | -5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | K135 | K135-G137 PolarHBondContact O-N 2.91Š|
| 138 | K | 85.5 | Confident | 79.8 | Confident | 148 Ų | 148 | 119.9 Ų | 119.9 | 64% | 0.643 | 68% | 0.68 | S | S | * | * | | | trans | -110.3 | 122.8 | 175.9 | -63.2 | -160.1 | 176.4 | -164.4 | 0 | 113 | K135 T140 | K135-K138 PolarHBondContact O-N 2.98Å; K135-K138 VanDerWaalsContact O-N 3.16Å; K138-T140 PolarHBondContact O-N 3.45Å |
| 139 | K | 90.7 | Very high | 82 | Confident | 212 Ų | 212 | 120 Ų | 120 | 92% | 0.922 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -56.1 | -30.6 | 178.8 | -65 | -175.4 | 179.9 | -178.7 | 0 | 114 | | |
| 140 | T | 93.1 | Very high | 84 | Confident | 100 Ų | 100 | 122.8 Ų | 122.8 | 61% | 0.613 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -144.5 | 166.4 | 176.2 | 73.8 | 0 | 0 | 0 | 0 | 111 | K138 G142 | K138-T140 PolarHBondContact O-N 3.45Å; T140-G142 PolarHBondContact O-N 2.94Å; T140-G142 PolarHBondContact OG1-N 3.03Å |
| 141 | R | 92 | Very high | 86.1 | Confident | 153 Ų | 153 | 119.7 Ų | 119.7 | 58% | 0.577 | 63% | 0.631 | S | S | * | * | | | trans | -80 | 4.7 | 175.7 | -150.7 | 167.2 | 75.9 | -177.3 | 10.5 | 114.1 | G133 V144 | G133-R141 WeakPolarHBondContact O-CD 3.36Å; R141-V144 HydrophobicContact CB-CG2 4.39Å; R141-V144 HydrophobicContact CG-CG2 4.45Å |
| 142 | G | 94.3 | Very high | 87.9 | Confident | 53 Ų | 53 | 120.7 Ų | 120.7 | 55% | 0.546 | 63% | 0.633 | S | S | . | * | | | trans | 65.7 | -160.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | T140 V144 | T140-G142 PolarHBondContact O-N 2.94Å; T140-G142 PolarHBondContact OG1-N 3.03Å; G142-V144 PolarHBondContact O-N 3.1Å |
| 143 | R | 94.4 | Very high | 89.9 | Confident | 258 Ų | 258 | 119 Ų | 119 | 97% | 0.974 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -72.8 | 110.6 | 173.5 | 179.9 | 178.7 | 175.3 | 179.1 | -2.6 | 109.7 | | |
| 144 | V | 96.6 | Very high | 91.4 | Very high | 68 Ų | 68 | 122.6 Ų | 122.6 | 41% | 0.412 | 62% | 0.615 | S | S | . | * | | | trans | -87.2 | 138.7 | 179.5 | -173.9 | 0 | 0 | 0 | 0 | 110.5 | R141 G142 | R141-V144 HydrophobicContact CB-CG2 4.39Å; R141-V144 HydrophobicContact CG-CG2 4.45Å; G142-V144 PolarHBondContact O-N 3.1Å |
| 145 | K | 96.4 | Very high | 92.9 | Very high | 204 Ų | 204 | 127.1 Ų | 127.1 | 89% | 0.887 | 63% | 0.634 | S | S | * | * | | | trans | -69.3 | 137.6 | 169.8 | -175.8 | 177.8 | 179.2 | -179.4 | 0 | 109.9 | | |
| 146 | I | 96.9 | Very high | 94 | Very high | 59 Ų | 59 | 125.6 Ų | 125.6 | 30% | 0.303 | 62% | 0.624 | S | S | . | * | | | trans | -124.7 | 156.2 | 174.1 | 61.5 | 175.2 | 0 | 0 | 0 | 109.6 | I151 | I146-I151 HydrophobicContact CD1-CD1 4.14Š|
| 147 | K | 97.8 | Very high | 95.1 | Very high | 145 Ų | 145 | 121.4 Ų | 121.4 | 63% | 0.63 | 59% | 0.591 | S | S | * | * | | | trans | -68.3 | 150.6 | 171.6 | -175.4 | 165.5 | 164.2 | -142.6 | 0 | 109.4 | E149 | K147-E149 HydrophobicContact CB-CG 4.21Å; K147-E149 WeakPolarHBondContact CB-OE1 3.3Å; K147-E149 VanDerWaalsContact CD-CD 3.46Å; K147-E149 HydrophobicContact CD-CG 4.39Å; K147-E149 VanDerWaalsContact CD-OE1 3.29Å; K147-E149 WeakPolarHBondContact CD-OE1 3.18Å; K147-E149 WeakPolarHBondContact CD-OE2 3.45Å; K147-E149 WeakPolarHBondContact CE-OE2 3.47Å; K147-E149 HydrophobicContact CG-CB 4.32Å; K147-E149 HydrophobicContact CG-CG 4.01Å; K147-E149 WeakPolarHBondContact CG-OE1 3.45Å; K147-E149 IonicContact NZ-OE1 3.27Å; K147-E149 IonicContact NZ-OE2 3.94Å; K147-E149 PolarHBondContact NZ-OE2 3.26Å; K147-E149 PolarHBondContact O-N 3.31Å |
| 148 | M | 97.5 | Very high | 95.8 | Very high | 150 Ų | 150 | 120.7 Ų | 120.7 | 74% | 0.739 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -93.8 | 76.3 | 178.3 | -75.8 | -63.8 | -63.2 | 0 | 0 | 109 | | |
| 149 | E | 97.1 | Very high | 96.4 | Very high | 106 Ų | 106 | 117.5 Ų | 117.5 | 50% | 0.495 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -141.3 | 177.6 | 179.5 | 66.6 | -166.5 | 154.1 | 0 | 0 | 109 | K147 | K147-E149 HydrophobicContact CB-CG 4.21Å; K147-E149 WeakPolarHBondContact CB-OE1 3.3Å; K147-E149 VanDerWaalsContact CD-CD 3.46Å; K147-E149 HydrophobicContact CD-CG 4.39Å; K147-E149 VanDerWaalsContact CD-OE1 3.29Å; K147-E149 WeakPolarHBondContact CD-OE1 3.18Å; K147-E149 WeakPolarHBondContact CD-OE2 3.45Å; K147-E149 WeakPolarHBondContact CE-OE2 3.47Å; K147-E149 HydrophobicContact CG-CB 4.32Å; K147-E149 HydrophobicContact CG-CG 4.01Å; K147-E149 WeakPolarHBondContact CG-OE1 3.45Å; K147-E149 IonicContact NZ-OE1 3.27Å; K147-E149 IonicContact NZ-OE2 3.94Å; K147-E149 PolarHBondContact NZ-OE2 3.26Å; K147-E149 PolarHBondContact O-N 3.31Å |
| 150 | F | 97.3 | Very high | 96.7 | Very high | 129 Ų | 129 | 109 Ų | 109 | 57% | 0.566 | 52% | 0.52 | S | S | * | . | | | trans | -62 | 135.1 | 172.1 | -173.9 | -114.1 | 0 | 0 | 0 | 110.8 | D152 R157 | F150-D152 PolarHBondContact O-N 3.47Å; F150-R157 VanDerWaalsContact CZ-NH2 3.28Å |
| 151 | I | 97.7 | Very high | 97 | Very high | 29 Ų | 29 | 106.9 Ų | 106.9 | 15% | 0.149 | 50% | 0.502 | C | S | . | . | | | trans | -93.5 | 96.9 | -177.7 | -57.5 | 175.6 | 0 | 0 | 0 | 108.3 | I146 N153 R156 R157 T160 | I146-I151 HydrophobicContact CD1-CD1 4.14Å; I151-N153 VanDerWaalsContact C-N 3.27Å; I151-N153 PolarHBondContact O-N 3.07Å; I151-R156 HydrophobicContact CG2-CB 3.93Å; I151-R157 HydrophobicContact CB-CB 4.18Å; I151-R157 HydrophobicContact CB-CG 4.29Å; I151-R157 HydrophobicContact CG2-CB 4.28Å; I151-R157 PolarHBondContact O-NE 3Å; I151-R157 PolarHBondContact O-NH2 2.72Å; I151-T160 HydrophobicContact CD1-CG2 3.9Å |
| 152 | D | 97.9 | Very high | 97.2 | Very high | 126 Ų | 126 | 102.5 Ų | 102.5 | 67% | 0.674 | 50% | 0.495 | S | S | * | . | | | trans | -57.6 | -38.4 | -173.2 | -50.1 | -61.2 | 0 | 0 | 0 | 113.4 | F150 K154 R157 | F150-D152 PolarHBondContact O-N 3.47Å; D152-K154 PolarHBondContact O-N 2.9Å; D152-R157 PolarHBondContact O-NH2 2.92Å |
| 153 | N | 97.8 | Very high | 97.4 | Very high | 82 Ų | 82 | 108 Ų | 108 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -70.4 | 103.9 | 178.9 | -177.8 | -78.5 | 0 | 0 | 0 | 111.4 | I151 L155 R156 R157 | I151-N153 VanDerWaalsContact C-N 3.27Å; I151-N153 PolarHBondContact O-N 3.07Å; N153-L155 VanDerWaalsContact C-N 3.33Å; N153-L155 PolarHBondContact O-N 2.65Å; N153-L155 PolarHBondContact OD1-N 3.22Å; N153-R156 HydrophobicContact CB-CB 4.14Å; N153-R156 HydrophobicContact CB-CG 4.37Å; N153-R156 CarbonylContact O-C 3.58Å; N153-R156 PolarHBondContact O-N 2.64Å; N153-R156 WeakPolarHBondContact OD1-CB 3.25Å; N153-R156 WeakPolarHBondContact OD1-CG 3.48Å; N153-R156 PolarHBondContact OD1-N 2.94Å; N153-R157 PolarHBondContact O-N 2.86Å |
| 154 | K | 97.1 | Very high | 97.6 | Very high | 127 Ų | 127 | 101.5 Ų | 101.5 | 55% | 0.552 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -45.8 | -46.7 | -178.4 | -165.3 | 172.1 | -171.6 | 176.4 | 0 | 114.3 | D152 R157 Y158 | D152-K154 PolarHBondContact O-N 2.9Å; K154-R157 WeakPolarHBondContact O-CB 3.27Å; K154-R157 PolarHBondContact O-N 2.97Å; K154-Y158 HydrophobicContact CD-CE2 4.15Å; K154-Y158 WeakPolarHBondContact CE-OH 3.44Å; K154-Y158 HydrophobicContact CG-CD2 4.17Å; K154-Y158 HydrophobicContact CG-CE2 3.57Å; K154-Y158 PolarHBondContact O-N 2.95Å |
| 155 | L | 97.6 | Very high | 97.7 | Very high | 130 Ų | 130 | 100.1 Ų | 100.1 | 68% | 0.681 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.3 | -43.3 | 178.9 | -63.5 | 177.1 | 0 | 0 | 0 | 112.6 | N153 R157 T159 | N153-L155 VanDerWaalsContact C-N 3.33Å; N153-L155 PolarHBondContact O-N 2.65Å; N153-L155 PolarHBondContact OD1-N 3.22Å; L155-R157 VanDerWaalsContact C-N 3.3Å; L155-T159 WeakPolarHBondContact O-CB 3.44Å; L155-T159 WeakPolarHBondContact O-CG2 3.25Å; L155-T159 PolarHBondContact O-N 3.07Å; L155-T159 PolarHBondContact O-OG1 3.4Å |
| 156 | R | 97.5 | Very high | 97.8 | Very high | 135 Ų | 135 | 94.9 Ų | 94.9 | 51% | 0.509 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.5 | -32.6 | 173.3 | -72.8 | -179.1 | 61 | -146.3 | -9.2 | 112 | I151 N153 T159 T160 | I151-R156 HydrophobicContact CG2-CB 3.93Å; N153-R156 HydrophobicContact CB-CB 4.14Å; N153-R156 HydrophobicContact CB-CG 4.37Å; N153-R156 CarbonylContact O-C 3.58Å; N153-R156 PolarHBondContact O-N 2.64Å; N153-R156 WeakPolarHBondContact OD1-CB 3.25Å; N153-R156 WeakPolarHBondContact OD1-CG 3.48Å; N153-R156 PolarHBondContact OD1-N 2.94Å; R156-T159 WeakPolarHBondContact CA-OG1 3.35Å; R156-T159 PolarHBondContact O-OG1 2.82Å; R156-T160 WeakPolarHBondContact O-CB 3.44Å; R156-T160 PolarHBondContact O-N 3.15Å; R156-T160 PolarHBondContact O-OG1 3.05Å |
| 157 | R | 98.3 | Very high | 97.9 | Very high | 46 Ų | 46 | 93.9 Ų | 93.9 | 17% | 0.174 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -65.4 | -55.3 | 175.2 | -164.1 | -170.8 | -54.9 | 156.7 | 4.8 | 110.8 | F150 I151 D152 N153 K154 L155 T159 T160 F161 E190 | F150-R157 VanDerWaalsContact CZ-NH2 3.28Å; I151-R157 HydrophobicContact CB-CB 4.18Å; I151-R157 HydrophobicContact CB-CG 4.29Å; I151-R157 HydrophobicContact CG2-CB 4.28Å; I151-R157 PolarHBondContact O-NE 3Å; I151-R157 PolarHBondContact O-NH2 2.72Å; D152-R157 PolarHBondContact O-NH2 2.92Å; N153-R157 PolarHBondContact O-N 2.86Å; K154-R157 WeakPolarHBondContact O-CB 3.27Å; K154-R157 PolarHBondContact O-N 2.97Å; L155-R157 VanDerWaalsContact C-N 3.3Å; R157-T159 PolarHBondContact O-N 3.33Å; R157-T160 CarbonylContact O-C 3.54Å; R157-T160 PolarHBondContact O-N 3.19Å; R157-T160 VanDerWaalsContact O-N 3.12Å; R157-F161 WeakPolarHBondContact O-CB 3.18Å; R157-F161 PolarHBondContact O-N 2.87Å; R157-E190 WeakPolarHBondContact CD-OE1 3.3Å; R157-E190 IonicContact CZ-OE1 2.63Å; R157-E190 IonicContact NE-OE1 2.9Å; R157-E190 VanDerWaalsContact NH1-CD 3.34Å; R157-E190 IonicContact NH1-OE1 2.69Å; R157-E190 PolarHBondContact NH1-OE1 3.3Å; R157-E190 IonicContact NH1-OE2 3.25Å; R157-E190 PolarHBondContact NH1-OE2 2.96Å |
| 158 | Y | 97.7 | Very high | 97.9 | Very high | 74 Ų | 74 | 91.1 Ų | 91.1 | 29% | 0.29 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 179 | -65.4 | -27.5 | 0 | 0 | 0 | 113.2 | K154 T160 F161 S162 E190 | K154-Y158 HydrophobicContact CD-CE2 4.15Å; K154-Y158 WeakPolarHBondContact CE-OH 3.44Å; K154-Y158 HydrophobicContact CG-CD2 4.17Å; K154-Y158 HydrophobicContact CG-CE2 3.57Å; K154-Y158 PolarHBondContact O-N 2.95Å; Y158-T160 PolarHBondContact O-N 3.44Å; Y158-F161 PolarHBondContact O-N 3.07Å; Y158-S162 PolarHBondContact O-N 3.31Å; Y158-S162 PolarHBondContact O-OG 2.81Å; Y158-E190 HydrophobicContact CE1-CB 4.18Å; Y158-E190 HydrophobicContact CE1-CG 4.34Å; Y158-E190 WeakPolarHBondContact CE1-OE2 3.34Å; Y158-E190 PolarHBondContact OH-OE2 3.2Å |
| 159 | T | 97.9 | Very high | 98 | Very high | 82 Ų | 82 | 85.5 Ų | 85.5 | 50% | 0.503 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65 | -27 | 176.4 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | L155 R156 R157 K163 | L155-T159 WeakPolarHBondContact O-CB 3.44Å; L155-T159 WeakPolarHBondContact O-CG2 3.25Å; L155-T159 PolarHBondContact O-N 3.07Å; L155-T159 PolarHBondContact O-OG1 3.4Å; R156-T159 WeakPolarHBondContact CA-OG1 3.35Å; R156-T159 PolarHBondContact O-OG1 2.82Å; R157-T159 PolarHBondContact O-N 3.33Å; T159-K163 WeakPolarHBondContact O-CD 3.24Å; T159-K163 VanDerWaalsContact O-CG 3.32Å; T159-K163 WeakPolarHBondContact O-CG 3.39Å |
| 160 | T | 97.9 | Very high | 98 | Very high | 33 Ų | 33 | 86.5 Ų | 86.5 | 20% | 0.202 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -78.6 | -41.2 | 171.6 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | I151 R156 R157 Y158 K163 R164 | I151-T160 HydrophobicContact CD1-CG2 3.9Å; R156-T160 WeakPolarHBondContact O-CB 3.44Å; R156-T160 PolarHBondContact O-N 3.15Å; R156-T160 PolarHBondContact O-OG1 3.05Å; R157-T160 CarbonylContact O-C 3.54Å; R157-T160 PolarHBondContact O-N 3.19Å; R157-T160 VanDerWaalsContact O-N 3.12Å; Y158-T160 PolarHBondContact O-N 3.44Å; T160-K163 PolarHBondContact O-N 2.98Å; T160-R164 HydrophobicContact CG2-CG 4.09Å; T160-R164 WeakPolarHBondContact O-CB 3.45Å; T160-R164 WeakPolarHBondContact O-CG 3.47Å; T160-R164 PolarHBondContact O-N 3.4Å |
| 161 | F | 98.4 | Very high | 98.1 | Very high | 55 Ų | 55 | 86.7 Ų | 86.7 | 24% | 0.241 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -57.2 | -56.6 | 176.6 | 172.6 | -95 | 0 | 0 | 0 | 110.5 | R157 Y158 K163 R164 K165 V187 A188 Y195 | R157-F161 WeakPolarHBondContact O-CB 3.18Å; R157-F161 PolarHBondContact O-N 2.87Å; Y158-F161 PolarHBondContact O-N 3.07Å; F161-K163 VanDerWaalsContact C-N 3.3Å; F161-K163 PolarHBondContact O-N 3Å; F161-R164 PolarHBondContact O-N 2.7Å; F161-K165 HydrophobicContact CE1-CD 3.92Å; F161-K165 HydrophobicContact CZ-CD 4.03Å; F161-K165 WeakPolarHBondContact O-CB 3.47Å; F161-K165 PolarHBondContact O-N 2.87Å; F161-V187 HydrophobicContact CE2-CG1 3.63Å; F161-V187 HydrophobicContact CZ-CG1 3.88Å; F161-A188 WeakPolarHBondContact CE2-O 3.49Å; F161-Y195 AromaticContact CE1-CE2 3.99Å; F161-Y195 HydrophobicContact CE1-CE2 3.99Å; F161-Y195 HydrophobicContact CZ-CD2 4.25Å; F161-Y195 HydrophobicContact CZ-CE2 4.11Å |
| 162 | S | 97.9 | Very high | 98.1 | Very high | 62 Ų | 62 | 85.8 Ų | 85.8 | 43% | 0.434 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.9 | -40.6 | -178.3 | -57.3 | 0 | 0 | 0 | 0 | 112.3 | Y158 T166 | Y158-S162 PolarHBondContact O-N 3.31Å; Y158-S162 PolarHBondContact O-OG 2.81Å; S162-T166 PolarHBondContact O-N 2.95Å; S162-T166 PolarHBondContact O-OG1 3.43Å |
| 163 | K | 97.9 | Very high | 98.2 | Very high | 167 Ų | 167 | 86.1 Ų | 86.1 | 73% | 0.726 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -69.3 | -42.4 | 177 | -71.6 | 179.3 | -179.8 | -179.2 | 0 | 112.9 | T159 T160 F161 G167 | T159-K163 WeakPolarHBondContact O-CD 3.24Å; T159-K163 VanDerWaalsContact O-CG 3.32Å; T159-K163 WeakPolarHBondContact O-CG 3.39Å; T160-K163 PolarHBondContact O-N 2.98Å; F161-K163 VanDerWaalsContact C-N 3.3Å; F161-K163 PolarHBondContact O-N 3Å; K163-G167 PolarHBondContact O-N 2.81Å |
| 164 | R | 98.6 | Very high | 98.2 | Very high | 122 Ų | 122 | 84.3 Ų | 84.3 | 46% | 0.46 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 176.5 | -75.4 | -173.8 | -179.7 | -160.6 | 0.5 | 111.3 | T160 F161 G167 I168 | T160-R164 HydrophobicContact CG2-CG 4.09Å; T160-R164 WeakPolarHBondContact O-CB 3.45Å; T160-R164 WeakPolarHBondContact O-CG 3.47Å; T160-R164 PolarHBondContact O-N 3.4Å; F161-R164 PolarHBondContact O-N 2.7Å; R164-G167 PolarHBondContact O-N 3.09Å; R164-G167 VanDerWaalsContact O-N 3.16Å; R164-I168 WeakPolarHBondContact O-CG2 3.33Å; R164-I168 PolarHBondContact O-N 2.83Å |
| 165 | K | 98.4 | Very high | 98.3 | Very high | 39 Ų | 39 | 82.7 Ų | 82.7 | 17% | 0.17 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -53.8 | -54.2 | 176.9 | -177.2 | 177.1 | 78.3 | 86.9 | 0 | 111.6 | F161 G167 I168 M169 Y195 | F161-K165 HydrophobicContact CE1-CD 3.92Å; F161-K165 HydrophobicContact CZ-CD 4.03Å; F161-K165 WeakPolarHBondContact O-CB 3.47Å; F161-K165 PolarHBondContact O-N 2.87Å; K165-G167 VanDerWaalsContact C-N 3.3Å; K165-G167 PolarHBondContact O-N 3.41Å; K165-I168 WeakPolarHBondContact O-CG2 3.15Å; K165-I168 PolarHBondContact O-N 2.86Å; K165-M169 HydrophobicContact CG-CG 4.44Å; K165-M169 WeakPolarHBondContact O-CB 3.4Å; K165-M169 WeakPolarHBondContact O-CG 3.38Å; K165-M169 PolarHBondContact O-N 3.16Å; K165-Y195 HydrophobicContact CD-CD1 4.14Å; K165-Y195 HydrophobicContact CD-CD2 3.35Å; K165-Y195 HydrophobicContact CD-CE1 4.46Å; K165-Y195 HydrophobicContact CD-CE2 3.71Å; K165-Y195 HydrophobicContact CD-CG 3.58Å; K165-Y195 VanDerWaalsContact NZ-CE1 3.27Å |
| 166 | T | 98.6 | Very high | 98.3 | Very high | 95 Ų | 95 | 77.1 Ų | 77.1 | 58% | 0.583 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.8 | -39.2 | 177.9 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | S162 K170 | S162-T166 PolarHBondContact O-N 2.95Å; S162-T166 PolarHBondContact O-OG1 3.43Å; T166-K170 WeakPolarHBondContact O-CB 3.35Å; T166-K170 PolarHBondContact O-N 3Å |
| 167 | G | 98.6 | Very high | 98.3 | Very high | 38 Ų | 38 | 74.7 Ų | 74.7 | 39% | 0.392 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64 | -45.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K163 R164 K165 K171 | K163-G167 PolarHBondContact O-N 2.81Å; R164-G167 PolarHBondContact O-N 3.09Å; R164-G167 VanDerWaalsContact O-N 3.16Å; K165-G167 VanDerWaalsContact C-N 3.3Å; K165-G167 PolarHBondContact O-N 3.41Å; G167-K171 WeakPolarHBondContact O-CG 3.2Å; G167-K171 PolarHBondContact O-N 3.15Å |
| 168 | I | 98.6 | Very high | 98.3 | Very high | 87 Ų | 87 | 79.5 Ų | 79.5 | 45% | 0.446 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -73.9 | -36.1 | -179.4 | -165.9 | 171.9 | 0 | 0 | 0 | 112 | R164 K165 K171 A172 L185 | R164-I168 WeakPolarHBondContact O-CG2 3.33Å; R164-I168 PolarHBondContact O-N 2.83Å; K165-I168 WeakPolarHBondContact O-CG2 3.15Å; K165-I168 PolarHBondContact O-N 2.86Å; I168-K171 PolarHBondContact O-N 3.2Å; I168-A172 PolarHBondContact O-N 3.08Å; I168-L185 HydrophobicContact CD1-CD1 4.29Å; I168-L185 HydrophobicContact CG1-CD2 4.04Å; I168-L185 HydrophobicContact CG2-CD2 4.21Å |
| 169 | M | 98.5 | Very high | 98.4 | Very high | 32 Ų | 32 | 79.7 Ų | 79.7 | 16% | 0.158 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.3 | -45 | 172 | -70.3 | -68.4 | 177.3 | 0 | 0 | 111.3 | K165 K171 A172 Y173 L185 V187 Y195 F197 | K165-M169 HydrophobicContact CG-CG 4.44Å; K165-M169 WeakPolarHBondContact O-CB 3.4Å; K165-M169 WeakPolarHBondContact O-CG 3.38Å; K165-M169 PolarHBondContact O-N 3.16Å; M169-K171 VanDerWaalsContact C-N 3.3Å; M169-K171 PolarHBondContact O-N 2.95Å; M169-A172 PolarHBondContact O-N 3.38Å; M169-Y173 PolarHBondContact O-N 3.24Å; M169-Y173 VanDerWaalsContact O-N 3.07Å; M169-L185 HydrophobicContact CE-CD2 4.07Å; M169-L185 HydrophobicContact CE-CG 4Å; M169-L185 HydrophobicContact CG-CD2 4.31Å; M169-L185 HydrophobicContact SD-CD2 3.57Å; M169-L185 VanDerWaalsContact SD-CD2 3.57Å; M169-L185 HydrophobicContact SD-CG 4.05Å; M169-V187 HydrophobicContact CE-CB 4.22Å; M169-V187 HydrophobicContact CE-CG2 3.9Å; M169-Y195 WeakPolarHBondContact CE-O 3.2Å; M169-F197 HydrophobicContact SD-CB 3.57Å; M169-F197 VanDerWaalsContact SD-CB 3.57Å |
| 170 | K | 98.6 | Very high | 98.4 | Very high | 127 Ų | 127 | 78.4 Ų | 78.4 | 55% | 0.552 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61 | -39.1 | 173.8 | -167.8 | 176.3 | -165.8 | -87.5 | 0 | 111.9 | T166 Y173 E174 | T166-K170 WeakPolarHBondContact O-CB 3.35Å; T166-K170 PolarHBondContact O-N 3Å; K170-Y173 PolarHBondContact O-N 2.64Å; K170-E174 HydrophobicContact CG-CG 4.44Å; K170-E174 IonicContact NZ-OE1 3.48Å; K170-E174 PolarHBondContact NZ-OE1 3.13Å; K170-E174 WeakPolarHBondContact O-CB 3.44Å; K170-E174 VanDerWaalsContact O-CG 3.3Å; K170-E174 WeakPolarHBondContact O-CG 3.46Å; K170-E174 PolarHBondContact O-N 3.03Å |
| 171 | K | 98.6 | Very high | 98.4 | Very high | 132 Ų | 132 | 80 Ų | 80 | 57% | 0.574 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -69.5 | -34.3 | 177.7 | -77 | -74.1 | 164.4 | -158.5 | 0 | 113.5 | G167 I168 M169 E174 L175 | G167-K171 WeakPolarHBondContact O-CG 3.2Å; G167-K171 PolarHBondContact O-N 3.15Å; I168-K171 PolarHBondContact O-N 3.2Å; M169-K171 VanDerWaalsContact C-N 3.3Å; M169-K171 PolarHBondContact O-N 2.95Å; K171-E174 WeakPolarHBondContact CD-OE2 3.32Å; K171-E174 WeakPolarHBondContact CE-OE2 3.36Å; K171-E174 IonicContact NZ-OE2 2.65Å; K171-E174 PolarHBondContact NZ-OE2 2.84Å; K171-L175 VanDerWaalsContact O-CB 3.25Å; K171-L175 WeakPolarHBondContact O-CB 3.34Å; K171-L175 PolarHBondContact O-N 3.38Å |
| 172 | A | 98.6 | Very high | 98.4 | Very high | 10 Ų | 10 | 81.5 Ų | 81.5 | 8% | 0.083 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I168 M169 S176 V183 L185 F197 | I168-A172 PolarHBondContact O-N 3.08Å; M169-A172 PolarHBondContact O-N 3.38Å; A172-S176 WeakPolarHBondContact O-CB 3.33Å; A172-S176 PolarHBondContact O-N 2.8Å; A172-S176 PolarHBondContact O-OG 3.16Å; A172-V183 HydrophobicContact CB-CG1 4.01Å; A172-L185 HydrophobicContact CB-CB 4.34Å; A172-L185 HydrophobicContact CB-CD2 3.74Å; A172-F197 HydrophobicContact CB-CD1 3.56Å; A172-F197 HydrophobicContact CB-CE1 3.91Å; A172-F197 HydrophobicContact CB-CG 4.3Å |
| 173 | Y | 98.4 | Very high | 98.4 | Very high | 134 Ų | 134 | 79.6 Ų | 79.6 | 53% | 0.525 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.7 | -56.5 | 171.4 | 175.4 | -99.8 | 0 | 0 | 0 | 111.7 | M169 K170 L175 S176 T177 F197 | M169-Y173 PolarHBondContact O-N 3.24Å; M169-Y173 VanDerWaalsContact O-N 3.07Å; K170-Y173 PolarHBondContact O-N 2.64Å; Y173-L175 VanDerWaalsContact C-N 3.29Å; Y173-L175 PolarHBondContact O-N 3.08Å; Y173-S176 PolarHBondContact O-N 3Å; Y173-S176 VanDerWaalsContact O-N 3.1Å; Y173-S176 PolarHBondContact O-OG 3.09Å; Y173-T177 PolarHBondContact O-N 3.08Å; Y173-T177 PolarHBondContact O-OG1 3.08Å; Y173-F197 HydrophobicContact CD2-CE2 4.08Å; Y173-F197 HydrophobicContact CD2-CZ 4.37Å |
| 174 | E | 98.6 | Very high | 98.4 | Very high | 44 Ų | 44 | 75.1 Ų | 75.1 | 21% | 0.206 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -52.5 | -45.4 | 178.3 | -75.4 | 171.2 | -174.4 | 0 | 0 | 112.1 | K170 K171 L178 | K170-E174 HydrophobicContact CG-CG 4.44Å; K170-E174 IonicContact NZ-OE1 3.48Å; K170-E174 PolarHBondContact NZ-OE1 3.13Å; K170-E174 WeakPolarHBondContact O-CB 3.44Å; K170-E174 VanDerWaalsContact O-CG 3.3Å; K170-E174 WeakPolarHBondContact O-CG 3.46Å; K170-E174 PolarHBondContact O-N 3.03Å; K171-E174 WeakPolarHBondContact CD-OE2 3.32Å; K171-E174 WeakPolarHBondContact CE-OE2 3.36Å; K171-E174 IonicContact NZ-OE2 2.65Å; K171-E174 PolarHBondContact NZ-OE2 2.84Å; E174-L178 VanDerWaalsContact O-CB 3.25Å; E174-L178 WeakPolarHBondContact O-CB 3.35Å; E174-L178 WeakPolarHBondContact O-CD1 3.28Å; E174-L178 WeakPolarHBondContact O-CG 3.39Å; E174-L178 PolarHBondContact O-N 3.28Å |
| 175 | L | 98.5 | Very high | 98.4 | Very high | 92 Ų | 92 | 70.7 Ų | 70.7 | 48% | 0.482 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.1 | -51.1 | 176.7 | 177.1 | 62.2 | 0 | 0 | 0 | 111.8 | K171 Y173 T177 T179 V183 | K171-L175 VanDerWaalsContact O-CB 3.25Å; K171-L175 WeakPolarHBondContact O-CB 3.34Å; K171-L175 PolarHBondContact O-N 3.38Å; Y173-L175 VanDerWaalsContact C-N 3.29Å; Y173-L175 PolarHBondContact O-N 3.08Å; L175-T177 PolarHBondContact O-N 2.92Å; L175-T179 HydrophobicContact CD1-CG2 4.09Å; L175-T179 WeakPolarHBondContact O-CB 3.48Å; L175-T179 PolarHBondContact O-N 2.88Å; L175-T179 PolarHBondContact O-OG1 2.96Å; L175-V183 HydrophobicContact CD2-CG2 4.25Å; L175-V183 HydrophobicContact CG-CG2 4.37Å |
| 176 | S | 98.2 | Very high | 98.4 | Very high | 14 Ų | 14 | 72 Ų | 72 | 10% | 0.098 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.1 | -40.3 | -178.1 | 68.6 | 0 | 0 | 0 | 0 | 112.7 | A172 Y173 G180 F197 | A172-S176 WeakPolarHBondContact O-CB 3.33Å; A172-S176 PolarHBondContact O-N 2.8Å; A172-S176 PolarHBondContact O-OG 3.16Å; Y173-S176 PolarHBondContact O-N 3Å; Y173-S176 VanDerWaalsContact O-N 3.1Å; Y173-S176 PolarHBondContact O-OG 3.09Å; S176-G180 VanDerWaalsContact O-CA 3.3Å; S176-G180 WeakPolarHBondContact O-CA 3.2Å; S176-G180 PolarHBondContact O-N 3.36Å; S176-F197 WeakPolarHBondContact OG-CZ 3.26Å |
| 177 | T | 98.2 | Very high | 98.4 | Very high | 84 Ų | 84 | 68.9 Ų | 68.9 | 52% | 0.515 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -73.9 | -40.2 | -178.7 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | Y173 L175 T179 | Y173-T177 PolarHBondContact O-N 3.08Å; Y173-T177 PolarHBondContact O-OG1 3.08Å; L175-T177 PolarHBondContact O-N 2.92Å; T177-T179 VanDerWaalsContact C-N 3.34Å; T177-T179 PolarHBondContact O-N 2.83Å |
| 178 | L | 98.5 | Very high | 98.3 | Very high | 147 Ų | 147 | 69 Ų | 69 | 77% | 0.77 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -74.8 | -21 | -179.3 | -69.5 | 170.5 | 0 | 0 | 0 | 113.8 | E174 | E174-L178 VanDerWaalsContact O-CB 3.25Å; E174-L178 WeakPolarHBondContact O-CB 3.35Å; E174-L178 WeakPolarHBondContact O-CD1 3.28Å; E174-L178 WeakPolarHBondContact O-CG 3.39Å; E174-L178 PolarHBondContact O-N 3.28Å |
| 179 | T | 98.4 | Very high | 98.2 | Very high | 77 Ų | 77 | 65.7 Ų | 65.7 | 47% | 0.472 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -121 | -10.7 | -173.6 | 65.4 | 0 | 0 | 0 | 0 | 114.7 | L175 T177 T181 | L175-T179 HydrophobicContact CD1-CG2 4.09Å; L175-T179 WeakPolarHBondContact O-CB 3.48Å; L175-T179 PolarHBondContact O-N 2.88Å; L175-T179 PolarHBondContact O-OG1 2.96Å; T177-T179 VanDerWaalsContact C-N 3.34Å; T177-T179 PolarHBondContact O-N 2.83Å; T179-T181 PolarHBondContact O-N 2.86Å; T179-T181 VanDerWaalsContact O-N 3.11Å; T179-T181 WeakPolarHBondContact OG1-CB 3.32Å; T179-T181 WeakPolarHBondContact OG1-CG2 3.24Å; T179-T181 PolarHBondContact OG1-N 3.33Å; T179-T181 PolarHBondContact OG1-OG1 3.22Å |
| 180 | G | 97.3 | Very high | 98 | Very high | 56 Ų | 56 | 68.9 Ų | 68.9 | 58% | 0.577 | 37% | 0.37 | S | S | * | . | | | trans | 66.5 | 2.5 | -172 | 0 | 0 | 0 | 0 | 0 | 114.8 | S176 Q182 | S176-G180 VanDerWaalsContact O-CA 3.3Å; S176-G180 WeakPolarHBondContact O-CA 3.2Å; S176-G180 PolarHBondContact O-N 3.36Å; G180-Q182 PolarHBondContact O-NE2 3.5Å |
| 181 | T | 98.3 | Very high | 97.7 | Very high | 67 Ų | 67 | 67.3 Ų | 67.3 | 41% | 0.411 | 37% | 0.371 | S | S | . | . | | | trans | -68.1 | 153.8 | -177.8 | 56.9 | 0 | 0 | 0 | 0 | 111.9 | T179 | T179-T181 PolarHBondContact O-N 2.86Å; T179-T181 VanDerWaalsContact O-N 3.11Å; T179-T181 WeakPolarHBondContact OG1-CB 3.32Å; T179-T181 WeakPolarHBondContact OG1-CG2 3.24Å; T179-T181 PolarHBondContact OG1-N 3.33Å; T179-T181 PolarHBondContact OG1-OG1 3.22Å |
| 182 | Q | 98.2 | Very high | 97.5 | Very high | 86 Ų | 86 | 63.7 Ų | 63.7 | 40% | 0.402 | 37% | 0.372 | S | S | . | . | | | trans | -83.6 | 129.3 | 174.2 | -58.6 | -53.2 | -66.4 | 0 | 0 | 109.8 | G180 T199 K201 L202 | G180-Q182 PolarHBondContact O-NE2 3.5Å; Q182-T199 VanDerWaalsContact CA-OG1 3.27Å; Q182-T199 WeakPolarHBondContact CA-OG1 3.07Å; Q182-T199 PolarHBondContact OE1-OG1 2.86Å; Q182-K201 HydrophobicContact CG-CB 4.29Å; Q182-K201 HydrophobicContact CG-CD 4.26Å; Q182-L202 HydrophobicContact CB-CD1 3.83Å; Q182-L202 HydrophobicContact CB-CG 4.15Å |
| 183 | V | 98.5 | Very high | 97.3 | Very high | 21 Ų | 21 | 68.2 Ų | 68.2 | 13% | 0.127 | 39% | 0.391 | C | S | . | . | | | trans | -133.6 | 132.3 | -173.5 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | A172 L175 F197 A198 T199 | A172-V183 HydrophobicContact CB-CG1 4.01Å; L175-V183 HydrophobicContact CD2-CG2 4.25Å; L175-V183 HydrophobicContact CG-CG2 4.37Å; V183-F197 HydrophobicContact CB-CE1 4.18Å; V183-F197 HydrophobicContact CG1-CD1 4.29Å; V183-F197 HydrophobicContact CG1-CE1 4.11Å; V183-A198 CarbonylContact O-C 3.58Å; V183-A198 WeakPolarHBondContact O-CA 3.29Å; V183-T199 HydrophobicContact CB-CG2 4.05Å; V183-T199 PolarHBondContact N-OG1 3.16Å; V183-T199 PolarHBondContact O-N 3.42Å; V183-T199 PolarHBondContact O-OG1 2.88Å |
| 184 | L | 98.1 | Very high | 97.2 | Very high | 73 Ų | 73 | 64.5 Ų | 64.5 | 38% | 0.382 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 130.4 | 170.5 | 174 | 63.6 | 0 | 0 | 0 | 108.1 | F197 A198 L202 M205 I206 | L184-F197 WeakPolarHBondContact CA-O 3.49Å; L184-A198 HydrophobicContact CD1-CB 3.8Å; L184-L202 HydrophobicContact CB-CB 4.3Å; L184-L202 HydrophobicContact CB-CD1 3.8Å; L184-M205 HydrophobicContact CD2-CB 4Å; L184-M205 HydrophobicContact CD2-CG 4.25Å; L184-I206 HydrophobicContact CD1-CG2 3.91Å |
| 185 | L | 98.5 | Very high | 97.2 | Very high | 30 Ų | 30 | 66.4 Ų | 66.4 | 16% | 0.157 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 124.9 | 177.8 | 170.6 | 61.9 | 0 | 0 | 0 | 108.3 | I168 M169 A172 V187 T196 F197 | I168-L185 HydrophobicContact CD1-CD1 4.29Å; I168-L185 HydrophobicContact CG1-CD2 4.04Å; I168-L185 HydrophobicContact CG2-CD2 4.21Å; M169-L185 HydrophobicContact CE-CD2 4.07Å; M169-L185 HydrophobicContact CE-CG 4Å; M169-L185 HydrophobicContact CG-CD2 4.31Å; M169-L185 HydrophobicContact SD-CD2 3.57Å; M169-L185 VanDerWaalsContact SD-CD2 3.57Å; M169-L185 HydrophobicContact SD-CG 4.05Å; A172-L185 HydrophobicContact CB-CB 4.34Å; A172-L185 HydrophobicContact CB-CD2 3.74Å; L185-V187 HydrophobicContact CD1-CG2 3.91Å; L185-V187 HydrophobicContact CG-CG2 4.25Å; L185-T196 CarbonylContact O-C 3.53Å; L185-T196 WeakPolarHBondContact O-CA 3.36Å; L185-F197 HydrophobicContact CB-CB 4.39Å; L185-F197 PolarHBondContact N-O 2.98Å; L185-F197 PolarHBondContact O-N 3.37Å |
| 186 | L | 98.2 | Very high | 97.2 | Very high | 66 Ų | 66 | 65 Ų | 65 | 35% | 0.346 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 132.4 | 176.2 | -174.4 | 151.4 | 0 | 0 | 0 | 108.6 | V194 T196 I215 | L186-V194 HydrophobicContact CD1-CG1 3.89Å; L186-V194 HydrophobicContact CD2-CG1 3.82Å; L186-V194 HydrophobicContact CG-CG1 3.63Å; L186-T196 HydrophobicContact CB-CG2 4.47Å; L186-T196 HydrophobicContact CD1-CG2 4.16Å; L186-T196 HydrophobicContact CG-CG2 4.12Å; L186-I215 HydrophobicContact CD1-CD1 3.77Å; L186-I215 HydrophobicContact CD1-CG1 4.06Å; L186-I215 HydrophobicContact CD1-CG2 3.9Å |
| 187 | V | 98.2 | Very high | 97.2 | Very high | 29 Ų | 29 | 66.4 Ų | 66.4 | 18% | 0.176 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 101.3 | -178.7 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | F161 M169 L185 Y195 | F161-V187 HydrophobicContact CE2-CG1 3.63Å; F161-V187 HydrophobicContact CZ-CG1 3.88Å; M169-V187 HydrophobicContact CE-CB 4.22Å; M169-V187 HydrophobicContact CE-CG2 3.9Å; L185-V187 HydrophobicContact CD1-CG2 3.91Å; L185-V187 HydrophobicContact CG-CG2 4.25Å; V187-Y195 PolarHBondContact N-O 3.36Å; V187-Y195 PolarHBondContact O-N 2.85Å |
| 188 | A | 97.2 | Very high | 97.2 | Very high | 40 Ų | 40 | 63 Ų | 63 | 33% | 0.331 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 151.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111 | F161 L219 | F161-A188 WeakPolarHBondContact CE2-O 3.49Å; A188-L219 HydrophobicContact CB-CD2 3.99Å |
| 189 | S | 96.5 | Very high | 97.2 | Very high | 18 Ų | 18 | 56.8 Ų | 56.8 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | | | trans | -107.7 | 161.7 | 170.2 | 64.1 | 0 | 0 | 0 | 0 | 110.8 | T191 G192 H193 | S189-T191 PolarHBondContact O-N 3.44Å; S189-T191 PolarHBondContact OG-N 2.77Å; S189-G192 PolarHBondContact O-N 3.27Å; S189-H193 PolarHBondContact N-O 3.18Å; S189-H193 WeakPolarHBondContact OG-CB 3.34Å; S189-H193 PolarHBondContact OG-N 3.2Å; S189-H193 VanDerWaalsContact OG-N 3.14Å; S189-H193 PolarHBondContact OG-O 3.27Å |
| 190 | E | 93.8 | Very high | 97.1 | Very high | 100 Ų | 100 | 64.5 Ų | 64.5 | 47% | 0.467 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -9.4 | 171.5 | -54.6 | -175.9 | 163.6 | 0 | 0 | 113.6 | R157 Y158 | R157-E190 WeakPolarHBondContact CD-OE1 3.3Å; R157-E190 IonicContact CZ-OE1 2.63Å; R157-E190 IonicContact NE-OE1 2.9Å; R157-E190 VanDerWaalsContact NH1-CD 3.34Å; R157-E190 IonicContact NH1-OE1 2.69Å; R157-E190 PolarHBondContact NH1-OE1 3.3Å; R157-E190 IonicContact NH1-OE2 3.25Å; R157-E190 PolarHBondContact NH1-OE2 2.96Å; Y158-E190 HydrophobicContact CE1-CB 4.18Å; Y158-E190 HydrophobicContact CE1-CG 4.34Å; Y158-E190 WeakPolarHBondContact CE1-OE2 3.34Å; Y158-E190 PolarHBondContact OH-OE2 3.2Å |
| 191 | T | 93.8 | Very high | 97.1 | Very high | 93 Ų | 93 | 69.8 Ų | 69.8 | 57% | 0.571 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 4.2 | 176.5 | -40.4 | 0 | 0 | 0 | 0 | 111.6 | S189 H193 | S189-T191 PolarHBondContact O-N 3.44Å; S189-T191 PolarHBondContact OG-N 2.77Å; T191-H193 PolarHBondContact O-N 3.22Å |
| 192 | G | 92.8 | Very high | 97 | Very high | 57 Ų | 57 | 69 Ų | 69 | 59% | 0.588 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 80.2 | -11.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S189 V194 | S189-G192 PolarHBondContact O-N 3.27Å; G192-V194 PolarHBondContact O-N 3.18Å |
| 193 | H | 95.4 | Very high | 97 | Very high | 104 Ų | 104 | 68.7 Ų | 68.7 | 48% | 0.481 | 36% | 0.356 | S | S | . | . | | | trans | -65 | 123.7 | 173.9 | -57.5 | -54.5 | 0 | 0 | 0 | 110.9 | S189 T191 Y195 | S189-H193 PolarHBondContact N-O 3.18Å; S189-H193 WeakPolarHBondContact OG-CB 3.34Å; S189-H193 PolarHBondContact OG-N 3.2Å; S189-H193 VanDerWaalsContact OG-N 3.14Å; S189-H193 PolarHBondContact OG-O 3.27Å; T191-H193 PolarHBondContact O-N 3.22Å; H193-Y195 HydrophobicContact CB-CE2 4.02Å |
| 194 | V | 97.1 | Very high | 96.9 | Very high | 57 Ų | 57 | 71 Ų | 71 | 35% | 0.345 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 119.9 | 176 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | L186 G192 T196 L219 | L186-V194 HydrophobicContact CD1-CG1 3.89Å; L186-V194 HydrophobicContact CD2-CG1 3.82Å; L186-V194 HydrophobicContact CG-CG1 3.63Å; G192-V194 PolarHBondContact O-N 3.18Å; V194-T196 HydrophobicContact CG1-CG2 4.07Å; V194-L219 HydrophobicContact CG2-CD1 3.58Å |
| 195 | Y | 98 | Very high | 96.9 | Very high | 83 Ų | 83 | 72.1 Ų | 72.1 | 33% | 0.325 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 132.1 | 174.6 | -55.2 | -85.7 | 0 | 0 | 0 | 109.6 | F161 K165 M169 V187 H193 | F161-Y195 AromaticContact CE1-CE2 3.99Å; F161-Y195 HydrophobicContact CE1-CE2 3.99Å; F161-Y195 HydrophobicContact CZ-CD2 4.25Å; F161-Y195 HydrophobicContact CZ-CE2 4.11Å; K165-Y195 HydrophobicContact CD-CD1 4.14Å; K165-Y195 HydrophobicContact CD-CD2 3.35Å; K165-Y195 HydrophobicContact CD-CE1 4.46Å; K165-Y195 HydrophobicContact CD-CE2 3.71Å; K165-Y195 HydrophobicContact CD-CG 3.58Å; K165-Y195 VanDerWaalsContact NZ-CE1 3.27Å; M169-Y195 WeakPolarHBondContact CE-O 3.2Å; V187-Y195 PolarHBondContact N-O 3.36Å; V187-Y195 PolarHBondContact O-N 2.85Å; H193-Y195 HydrophobicContact CB-CE2 4.02Å |
| 196 | T | 97.9 | Very high | 96.8 | Very high | 64 Ų | 64 | 72 Ų | 72 | 39% | 0.393 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 153.2 | -174.9 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | L185 L186 V194 I206 | L185-T196 CarbonylContact O-C 3.53Å; L185-T196 WeakPolarHBondContact O-CA 3.36Å; L186-T196 HydrophobicContact CB-CG2 4.47Å; L186-T196 HydrophobicContact CD1-CG2 4.16Å; L186-T196 HydrophobicContact CG-CG2 4.12Å; V194-T196 HydrophobicContact CG1-CG2 4.07Å; T196-I206 HydrophobicContact CG2-CB 4.47Å; T196-I206 HydrophobicContact CG2-CD1 4.32Å; T196-I206 HydrophobicContact CG2-CG2 3.99Å |
| 197 | F | 98.3 | Very high | 96.7 | Very high | 42 Ų | 42 | 72.3 Ų | 72.3 | 18% | 0.184 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 130.5 | 161.3 | 169.8 | -94.6 | 0 | 0 | 0 | 107.7 | M169 A172 Y173 S176 V183 L184 L185 T199 | M169-F197 HydrophobicContact SD-CB 3.57Å; M169-F197 VanDerWaalsContact SD-CB 3.57Å; A172-F197 HydrophobicContact CB-CD1 3.56Å; A172-F197 HydrophobicContact CB-CE1 3.91Å; A172-F197 HydrophobicContact CB-CG 4.3Å; Y173-F197 HydrophobicContact CD2-CE2 4.08Å; Y173-F197 HydrophobicContact CD2-CZ 4.37Å; S176-F197 WeakPolarHBondContact OG-CZ 3.26Å; V183-F197 HydrophobicContact CB-CE1 4.18Å; V183-F197 HydrophobicContact CG1-CD1 4.29Å; V183-F197 HydrophobicContact CG1-CE1 4.11Å; L184-F197 WeakPolarHBondContact CA-O 3.49Å; L185-F197 HydrophobicContact CB-CB 4.39Å; L185-F197 PolarHBondContact N-O 2.98Å; L185-F197 PolarHBondContact O-N 3.37Å; F197-T199 HydrophobicContact CE1-CG2 4.41Å; F197-T199 HydrophobicContact CZ-CG2 4.5Å |
| 198 | A | 98 | Very high | 96.7 | Very high | 13 Ų | 13 | 73.1 Ų | 73.1 | 11% | 0.107 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 145.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V183 L184 L202 Q203 I206 | V183-A198 CarbonylContact O-C 3.58Å; V183-A198 WeakPolarHBondContact O-CA 3.29Å; L184-A198 HydrophobicContact CD1-CB 3.8Å; A198-L202 HydrophobicContact CB-CB 4.5Å; A198-Q203 PolarHBondContact O-OE1 2.9Å; A198-I206 HydrophobicContact CB-CD1 3.71Å; A198-I206 HydrophobicContact CB-CG1 4.24Å |
| 199 | T | 97.9 | Very high | 96.7 | Very high | 16 Ų | 16 | 77.3 Ų | 77.3 | 10% | 0.098 | 40% | 0.399 | C | S | . | . | | | trans | -82.3 | 161.1 | 169.5 | 57.7 | 0 | 0 | 0 | 0 | 111.1 | Q182 V183 F197 K201 L202 Q203 | Q182-T199 VanDerWaalsContact CA-OG1 3.27Å; Q182-T199 WeakPolarHBondContact CA-OG1 3.07Å; Q182-T199 PolarHBondContact OE1-OG1 2.86Å; V183-T199 HydrophobicContact CB-CG2 4.05Å; V183-T199 PolarHBondContact N-OG1 3.16Å; V183-T199 PolarHBondContact O-N 3.42Å; V183-T199 PolarHBondContact O-OG1 2.88Å; F197-T199 HydrophobicContact CE1-CG2 4.41Å; F197-T199 HydrophobicContact CZ-CG2 4.5Å; T199-K201 VanDerWaalsContact C-N 3.26Å; T199-K201 PolarHBondContact O-N 3.3Å; T199-L202 CarbonylContact O-C 3.56Å; T199-L202 WeakPolarHBondContact O-CA 3.48Å; T199-L202 PolarHBondContact O-N 3.44Å; T199-Q203 PolarHBondContact O-N 2.63Å |
| 200 | R | 97.2 | Very high | 96.8 | Very high | 239 Ų | 239 | 82.1 Ų | 82.1 | 90% | 0.902 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -34.8 | -170.3 | -171.1 | 175.1 | 179.2 | 177.2 | 0.7 | 115.6 | | |
| 201 | K | 96.9 | Very high | 97 | Very high | 168 Ų | 168 | 77.7 Ų | 77.7 | 73% | 0.73 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -23.1 | 176.7 | -60.8 | -170.5 | 176.2 | -174.8 | 0 | 113.9 | Q182 T199 | Q182-K201 HydrophobicContact CG-CB 4.29Å; Q182-K201 HydrophobicContact CG-CD 4.26Å; T199-K201 VanDerWaalsContact C-N 3.26Å; T199-K201 PolarHBondContact O-N 3.3Å |
| 202 | L | 97.4 | Very high | 97.1 | Very high | 51 Ų | 51 | 77.6 Ų | 77.6 | 27% | 0.267 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -9.8 | -179.5 | -60.8 | 178.7 | 0 | 0 | 0 | 112.9 | Q182 L184 A198 T199 P204 M205 | Q182-L202 HydrophobicContact CB-CD1 3.83Å; Q182-L202 HydrophobicContact CB-CG 4.15Å; L184-L202 HydrophobicContact CB-CB 4.3Å; L184-L202 HydrophobicContact CB-CD1 3.8Å; A198-L202 HydrophobicContact CB-CB 4.5Å; T199-L202 CarbonylContact O-C 3.56Å; T199-L202 WeakPolarHBondContact O-CA 3.48Å; T199-L202 PolarHBondContact O-N 3.44Å; L202-P204 VanDerWaalsContact C-N 3.27Å; L202-M205 VanDerWaalsContact O-CB 3.24Å; L202-M205 WeakPolarHBondContact O-CB 3.06Å; L202-M205 WeakPolarHBondContact O-CG 3.19Å; L202-M205 PolarHBondContact O-N 3.04Å |
| 203 | Q | 96.8 | Very high | 97.3 | Very high | 79 Ų | 79 | 76.9 Ų | 76.9 | 37% | 0.369 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46 | -42.3 | 171.9 | -157.9 | 71.6 | 19.2 | 0 | 0 | 113.7 | A198 T199 M205 I206 T207 | A198-Q203 PolarHBondContact O-OE1 2.9Å; T199-Q203 PolarHBondContact O-N 2.63Å; Q203-M205 PolarHBondContact O-N 3.03Å; Q203-M205 VanDerWaalsContact O-N 3.16Å; Q203-I206 WeakPolarHBondContact O-CG1 3.43Å; Q203-I206 PolarHBondContact O-N 3.39Å; Q203-I206 VanDerWaalsContact O-N 3.08Å; Q203-T207 HydrophobicContact CG-CG2 3.93Å; Q203-T207 PolarHBondContact O-N 3.33Å; Q203-T207 PolarHBondContact O-OG1 3.48Å; Q203-T207 VanDerWaalsContact O-OG1 3.09Å |
| 204 | P | 97.6 | Very high | 97.3 | Very high | 69 Ų | 69 | 76.8 Ų | 76.8 | 45% | 0.448 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.6 | -25.7 | 177.6 | -25.3 | 36.9 | 0 | 0 | 0 | 114.6 | L202 I206 S208 | L202-P204 VanDerWaalsContact C-N 3.27Å; P204-I206 PolarHBondContact O-N 3.26Å; P204-S208 WeakPolarHBondContact O-CB 3.41Å; P204-S208 PolarHBondContact O-N 3.31Å; P204-S208 PolarHBondContact O-OG 3.26Å |
| 205 | M | 97.1 | Very high | 97.3 | Very high | 97 Ų | 97 | 76.1 Ų | 76.1 | 48% | 0.478 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.7 | -23.5 | 177 | -62.5 | -63.8 | -65.1 | 0 | 0 | 112.9 | L184 L202 Q203 G211 I215 | L184-M205 HydrophobicContact CD2-CB 4Å; L184-M205 HydrophobicContact CD2-CG 4.25Å; L202-M205 VanDerWaalsContact O-CB 3.24Å; L202-M205 WeakPolarHBondContact O-CB 3.06Å; L202-M205 WeakPolarHBondContact O-CG 3.19Å; L202-M205 PolarHBondContact O-N 3.04Å; Q203-M205 PolarHBondContact O-N 3.03Å; Q203-M205 VanDerWaalsContact O-N 3.16Å; M205-G211 WeakPolarHBondContact O-CA 3.46Å; M205-I215 WeakPolarHBondContact O-CD1 3.38Å |
| 206 | I | 96.3 | Very high | 97.1 | Very high | 26 Ų | 26 | 77.7 Ų | 77.7 | 13% | 0.133 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -116.9 | -17.4 | -178.5 | 59.7 | 167.8 | 0 | 0 | 0 | 113.4 | L184 T196 A198 Q203 P204 I215 | L184-I206 HydrophobicContact CD1-CG2 3.91Å; T196-I206 HydrophobicContact CG2-CB 4.47Å; T196-I206 HydrophobicContact CG2-CD1 4.32Å; T196-I206 HydrophobicContact CG2-CG2 3.99Å; A198-I206 HydrophobicContact CB-CD1 3.71Å; A198-I206 HydrophobicContact CB-CG1 4.24Å; Q203-I206 WeakPolarHBondContact O-CG1 3.43Å; Q203-I206 PolarHBondContact O-N 3.39Å; Q203-I206 VanDerWaalsContact O-N 3.08Å; P204-I206 PolarHBondContact O-N 3.26Å; I206-I215 HydrophobicContact CG2-CD1 4.02Å |
| 207 | T | 97.2 | Very high | 97.1 | Very high | 73 Ų | 73 | 79.3 Ų | 79.3 | 45% | 0.448 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -101.2 | -29.5 | 178.3 | 60.1 | 0 | 0 | 0 | 0 | 114.4 | Q203 K212 | Q203-T207 HydrophobicContact CG-CG2 3.93Å; Q203-T207 PolarHBondContact O-N 3.33Å; Q203-T207 PolarHBondContact O-OG1 3.48Å; Q203-T207 VanDerWaalsContact O-OG1 3.09Å; T207-K212 VanDerWaalsContact O-CE 3.24Å; T207-K212 WeakPolarHBondContact O-CE 3.49Å; T207-K212 PolarHBondContact O-NZ 3.05Å |
| 208 | S | 97.9 | Very high | 96.9 | Very high | 46 Ų | 46 | 81.2 Ų | 81.2 | 32% | 0.322 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -70.4 | 152.3 | 177.9 | 72 | 0 | 0 | 0 | 0 | 111.6 | P204 T210 G211 K212 | P204-S208 WeakPolarHBondContact O-CB 3.41Å; P204-S208 PolarHBondContact O-N 3.31Å; P204-S208 PolarHBondContact O-OG 3.26Å; S208-T210 PolarHBondContact O-N 2.96Å; S208-G211 PolarHBondContact O-N 2.98Å; S208-G211 PolarHBondContact OG-N 3.34Å; S208-G211 VanDerWaalsContact OG-N 3.15Å; S208-K212 WeakPolarHBondContact O-CG 3.36Å; S208-K212 PolarHBondContact O-N 3.44Å |
| 209 | E | 97.8 | Very high | 96.7 | Very high | 129 Ų | 129 | 84.5 Ų | 84.5 | 60% | 0.603 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.3 | -41.2 | -179.1 | -156.8 | 54.2 | -145.7 | 0 | 0 | 111.9 | G211 K212 A213 | E209-G211 VanDerWaalsContact C-N 3.31Å; E209-G211 PolarHBondContact O-N 3.44Å; E209-K212 PolarHBondContact O-N 3.44Å; E209-K212 IonicContact OE2-NZ 2.64Å; E209-K212 PolarHBondContact OE2-NZ 3.27Å; E209-A213 VanDerWaalsContact O-CB 3.28Å; E209-A213 WeakPolarHBondContact O-CB 3.44Å; E209-A213 PolarHBondContact O-N 2.86Å |
| 210 | T | 97.9 | Very high | 96.5 | Very high | 118 Ų | 118 | 89.3 Ų | 89.3 | 72% | 0.724 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -57.9 | -41.5 | 172.9 | -42.7 | 0 | 0 | 0 | 0 | 112.3 | S208 L214 | S208-T210 PolarHBondContact O-N 2.96Å; T210-L214 WeakPolarHBondContact O-CB 3.34Å; T210-L214 PolarHBondContact O-N 3.23Å; T210-L214 VanDerWaalsContact O-N 3.08Å |
| 211 | G | 97.1 | Very high | 96.2 | Very high | 8 Ų | 8 | 81.5 Ų | 81.5 | 8% | 0.082 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -67.2 | -46.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M205 S208 E209 L214 I215 | M205-G211 WeakPolarHBondContact O-CA 3.46Å; S208-G211 PolarHBondContact O-N 2.98Å; S208-G211 PolarHBondContact OG-N 3.34Å; S208-G211 VanDerWaalsContact OG-N 3.15Å; E209-G211 VanDerWaalsContact C-N 3.31Å; E209-G211 PolarHBondContact O-N 3.44Å; G211-L214 PolarHBondContact O-N 3.06Å; G211-I215 WeakPolarHBondContact O-CD1 3.46Å; G211-I215 VanDerWaalsContact O-CG1 3.26Å; G211-I215 WeakPolarHBondContact O-CG1 3.28Å; G211-I215 PolarHBondContact O-N 3.47Å |
| 212 | K | 96.1 | Very high | 95.7 | Very high | 90 Ų | 90 | 79 Ų | 79 | 39% | 0.391 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.3 | -49 | 175.6 | -69.7 | 164.9 | 179.9 | 159.3 | 0 | 112.1 | T207 S208 E209 L214 I215 Q216 | T207-K212 VanDerWaalsContact O-CE 3.24Å; T207-K212 WeakPolarHBondContact O-CE 3.49Å; T207-K212 PolarHBondContact O-NZ 3.05Å; S208-K212 WeakPolarHBondContact O-CG 3.36Å; S208-K212 PolarHBondContact O-N 3.44Å; E209-K212 PolarHBondContact O-N 3.44Å; E209-K212 IonicContact OE2-NZ 2.64Å; E209-K212 PolarHBondContact OE2-NZ 3.27Å; K212-L214 VanDerWaalsContact C-N 3.34Å; K212-L214 PolarHBondContact O-N 2.75Å; K212-I215 PolarHBondContact O-N 2.94Å; K212-Q216 WeakPolarHBondContact O-CB 2.88Å; K212-Q216 PolarHBondContact O-N 2.84Å |
| 213 | A | 96.8 | Very high | 94.9 | Very high | 43 Ų | 43 | 84.2 Ų | 84.2 | 36% | 0.355 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.1 | -45.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | E209 Q216 T217 | E209-A213 VanDerWaalsContact O-CB 3.28Å; E209-A213 WeakPolarHBondContact O-CB 3.44Å; E209-A213 PolarHBondContact O-N 2.86Å; A213-Q216 PolarHBondContact O-N 2.66Å; A213-T217 PolarHBondContact O-N 3.21Å; A213-T217 PolarHBondContact O-OG1 3.31Å; A213-T217 VanDerWaalsContact O-OG1 3.05Å |
| 214 | L | 96.7 | Very high | 93.6 | Very high | 102 Ų | 102 | 84.9 Ų | 84.9 | 53% | 0.534 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60 | -47.1 | 175.2 | 179.5 | 61.7 | 0 | 0 | 0 | 112.2 | T210 G211 K212 Q216 T217 C218 | T210-L214 WeakPolarHBondContact O-CB 3.34Å; T210-L214 PolarHBondContact O-N 3.23Å; T210-L214 VanDerWaalsContact O-N 3.08Å; G211-L214 PolarHBondContact O-N 3.06Å; K212-L214 VanDerWaalsContact C-N 3.34Å; K212-L214 PolarHBondContact O-N 2.75Å; L214-Q216 VanDerWaalsContact C-N 3.32Å; L214-Q216 PolarHBondContact O-N 3.12Å; L214-T217 PolarHBondContact O-N 3.07Å; L214-C218 WeakPolarHBondContact O-CB 3.4Å; L214-C218 PolarHBondContact O-N 2.75Å; L214-C218 PolarHBondContact O-SG 3.28Å |
| 215 | I | 96.3 | Very high | 92.1 | Very high | 42 Ų | 42 | 87 Ų | 87 | 22% | 0.215 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 176.6 | -70.7 | 163 | 0 | 0 | 0 | 110.8 | L186 M205 I206 G211 K212 C218 L219 | L186-I215 HydrophobicContact CD1-CD1 3.77Å; L186-I215 HydrophobicContact CD1-CG1 4.06Å; L186-I215 HydrophobicContact CD1-CG2 3.9Å; M205-I215 WeakPolarHBondContact O-CD1 3.38Å; I206-I215 HydrophobicContact CG2-CD1 4.02Å; G211-I215 WeakPolarHBondContact O-CD1 3.46Å; G211-I215 VanDerWaalsContact O-CG1 3.26Å; G211-I215 WeakPolarHBondContact O-CG1 3.28Å; G211-I215 PolarHBondContact O-N 3.47Å; K212-I215 PolarHBondContact O-N 2.94Å; I215-C218 PolarHBondContact O-N 2.95Å; I215-L219 HydrophobicContact CG2-CD1 3.93Å; I215-L219 WeakPolarHBondContact O-CG 3.11Å; I215-L219 PolarHBondContact O-N 3.05Å |
| 216 | Q | 94.7 | Very high | 90.5 | Very high | 117 Ų | 117 | 87.8 Ų | 87.8 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 178.6 | -174.3 | 176 | 3.1 | 0 | 0 | 111.8 | K212 A213 L214 C218 L219 N220 | K212-Q216 WeakPolarHBondContact O-CB 2.88Å; K212-Q216 PolarHBondContact O-N 2.84Å; A213-Q216 PolarHBondContact O-N 2.66Å; L214-Q216 VanDerWaalsContact C-N 3.32Å; L214-Q216 PolarHBondContact O-N 3.12Å; Q216-C218 VanDerWaalsContact C-N 3.35Å; Q216-C218 PolarHBondContact O-N 3.19Å; Q216-L219 PolarHBondContact O-N 3.29Å; Q216-N220 VanDerWaalsContact O-CB 3.28Å; Q216-N220 WeakPolarHBondContact O-CB 3.4Å; Q216-N220 PolarHBondContact O-N 3.25Å |
| 217 | T | 96.3 | Very high | 88.4 | Confident | 97 Ų | 97 | 96.6 Ų | 96.6 | 60% | 0.595 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60 | -43.8 | 173 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | A213 L214 L219 N220 S221 | A213-T217 PolarHBondContact O-N 3.21Å; A213-T217 PolarHBondContact O-OG1 3.31Å; A213-T217 VanDerWaalsContact O-OG1 3.05Å; L214-T217 PolarHBondContact O-N 3.07Å; T217-L219 VanDerWaalsContact C-N 3.3Å; T217-L219 PolarHBondContact O-N 3.01Å; T217-N220 PolarHBondContact O-N 3.02Å; T217-S221 PolarHBondContact O-N 3.25Å |
| 218 | C | 95.4 | Very high | 86.1 | Confident | 82 Ų | 82 | 98.4 Ų | 98.4 | 55% | 0.554 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.2 | -22 | 178.2 | -68.4 | 0 | 0 | 0 | 0 | 114.4 | L214 I215 Q216 S221 | L214-C218 WeakPolarHBondContact O-CB 3.4Å; L214-C218 PolarHBondContact O-N 2.75Å; L214-C218 PolarHBondContact O-SG 3.28Å; I215-C218 PolarHBondContact O-N 2.95Å; Q216-C218 VanDerWaalsContact C-N 3.35Å; Q216-C218 PolarHBondContact O-N 3.19Å; C218-S221 PolarHBondContact O-OG 2.9Å |
| 219 | L | 94.2 | Very high | 83.7 | Confident | 83 Ų | 83 | 100.1 Ų | 100.1 | 44% | 0.435 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -92 | -20.2 | 175 | -68.5 | 173.3 | 0 | 0 | 0 | 113 | A188 V194 I215 Q216 T217 | A188-L219 HydrophobicContact CB-CD2 3.99Å; V194-L219 HydrophobicContact CG2-CD1 3.58Å; I215-L219 HydrophobicContact CG2-CD1 3.93Å; I215-L219 WeakPolarHBondContact O-CG 3.11Å; I215-L219 PolarHBondContact O-N 3.05Å; Q216-L219 PolarHBondContact O-N 3.29Å; T217-L219 VanDerWaalsContact C-N 3.3Å; T217-L219 PolarHBondContact O-N 3.01Å |
| 220 | N | 93.7 | Very high | 81.3 | Confident | 117 Ų | 117 | 99.7 Ų | 99.7 | 63% | 0.626 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -96.3 | -1.7 | 179.4 | -70.7 | -8 | 0 | 0 | 0 | 113.8 | Q216 T217 | Q216-N220 VanDerWaalsContact O-CB 3.28Å; Q216-N220 WeakPolarHBondContact O-CB 3.4Å; Q216-N220 PolarHBondContact O-N 3.25Å; T217-N220 PolarHBondContact O-N 3.02Å |
| 221 | S | 90.9 | Very high | 78.9 | Confident | 74 Ų | 74 | 98.8 Ų | 98.8 | 52% | 0.517 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -59.7 | 134.6 | 171.4 | 56.8 | 0 | 0 | 0 | 0 | 110 | T217 C218 D223 | T217-S221 PolarHBondContact O-N 3.25Å; C218-S221 PolarHBondContact O-OG 2.9Å; S221-D223 PolarHBondContact O-N 2.69Å |
| 222 | P | 86.1 | Confident | 77 | Confident | 117 Ų | 117 | 104.4 Ų | 104.4 | 76% | 0.76 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 130.9 | -177.9 | 24.9 | -34.1 | 0 | 0 | 0 | 110.7 | S224 | P222-S224 PolarHBondContact O-N 3.03Š|
| 223 | D | 79.8 | Confident | 74.7 | Confident | 159 Ų | 159 | 107.3 Ų | 107.3 | 85% | 0.85 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 127.7 | 179.1 | -170 | 28.9 | 0 | 0 | 0 | 109.8 | S221 | S221-D223 PolarHBondContact O-N 2.69Š|
| 224 | S | 70.6 | Confident | 72.5 | Confident | 94 Ų | 94 | 114.3 Ų | 114.3 | 66% | 0.657 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 134.3 | -176.4 | -68.3 | 0 | 0 | 0 | 0 | 109.2 | P222 | P222-S224 PolarHBondContact O-N 3.03Š|
| 225 | P | 66 | Low | 69.9 | Low | 113 Ų | 113 | 118.8 Ų | 118.8 | 73% | 0.734 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 141 | -175.5 | 22.8 | -33.6 | 0 | 0 | 0 | 110.7 | R227 | P225-R227 PolarHBondContact O-N 3.33Š|
| 226 | P | 62.3 | Low | 67.5 | Low | 114 Ų | 114 | 125.4 Ų | 125.4 | 74% | 0.74 | 69% | 0.691 | S | S | * | * | | | trans | -57.5 | 105.8 | -164.8 | 20.3 | -33.2 | 0 | 0 | 0 | 111.6 | S228 | P226-S228 PolarHBondContact O-N 3.37Å; P226-S228 PolarHBondContact O-OG 3.2Å |
| 227 | R | 53.8 | Low | 65.2 | Low | 210 Ų | 210 | 122.9 Ų | 122.9 | 79% | 0.792 | 69% | 0.686 | S | S | * | * | | | trans | -64.5 | 101.5 | -169.7 | -172.7 | 172.3 | 177.1 | 168.9 | -0.1 | 110.4 | P225 D229 | P225-R227 PolarHBondContact O-N 3.33Å; R227-D229 HydrophobicContact CG-CB 4.34Å; R227-D229 IonicContact CZ-OD2 3.22Å; R227-D229 VanDerWaalsContact CZ-OD2 3.25Å; R227-D229 IonicContact NE-OD2 2.71Å; R227-D229 PolarHBondContact NE-OD2 3.01Å; R227-D229 IonicContact NH2-OD2 3.53Å; R227-D229 PolarHBondContact NH2-OD2 2.76Å; R227-D229 PolarHBondContact O-N 3.42Å |
| 228 | S | 48.5 | Very low | 62.8 | Low | 111 Ų | 111 | 122.4 Ų | 122.4 | 78% | 0.776 | 69% | 0.692 | S | S | * | * | | | trans | -86.5 | 47.9 | -171.7 | -62 | 0 | 0 | 0 | 0 | 112.2 | P226 P230 | P226-S228 PolarHBondContact O-N 3.37Å; P226-S228 PolarHBondContact O-OG 3.2Å; S228-P230 WeakPolarHBondContact O-CD 2.94Å |
| 229 | D | 45.9 | Very low | 60.6 | Low | 82 Ų | 82 | 123.6 Ų | 123.6 | 44% | 0.439 | 70% | 0.697 | S | S | . | * | | | trans | -95.9 | 110.1 | 179.3 | -87.3 | -35.5 | 0 | 0 | 0 | 111 | R227 T231 | R227-D229 HydrophobicContact CG-CB 4.34Å; R227-D229 IonicContact CZ-OD2 3.22Å; R227-D229 VanDerWaalsContact CZ-OD2 3.25Å; R227-D229 IonicContact NE-OD2 2.71Å; R227-D229 PolarHBondContact NE-OD2 3.01Å; R227-D229 IonicContact NH2-OD2 3.53Å; R227-D229 PolarHBondContact NH2-OD2 2.76Å; R227-D229 PolarHBondContact O-N 3.42Å; D229-T231 HydrophobicContact CB-CG2 4.42Å; D229-T231 PolarHBondContact O-N 3.21Å |
| 230 | P | 47.5 | Very low | 58.5 | Low | 120 Ų | 120 | 123.7 Ų | 123.7 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | | | trans | -81.1 | 42.3 | 173.2 | 35 | -36 | 0 | 0 | 0 | 112.3 | S228 T232 | S228-P230 WeakPolarHBondContact O-CD 2.94Å; P230-T232 PolarHBondContact O-N 3.33Å |
| 231 | T | 49.1 | Very low | 55.7 | Low | 99 Ų | 99 | 126 Ų | 126 | 61% | 0.607 | 72% | 0.723 | S | S | * | * | | | trans | -102.3 | 56 | -174.3 | 63 | 0 | 0 | 0 | 0 | 112.1 | D229 D233 | D229-T231 HydrophobicContact CB-CG2 4.42Å; D229-T231 PolarHBondContact O-N 3.21Å; T231-D233 PolarHBondContact O-N 2.96Å; T231-D233 VanDerWaalsContact O-N 3.08Å |
| 232 | T | 55.9 | Low | 53.5 | Low | 126 Ų | 126 | 130.4 Ų | 130.4 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -3.3 | -171.8 | -47.3 | 0 | 0 | 0 | 0 | 114.6 | P230 | P230-T232 PolarHBondContact O-N 3.33Š|
| 233 | D | 48.2 | Very low | 51.4 | Low | 152 Ų | 152 | 131.7 Ų | 131.7 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 12.8 | -171.5 | -86.8 | -67.9 | 0 | 0 | 0 | 116.1 | T231 R235 | T231-D233 PolarHBondContact O-N 2.96Å; T231-D233 VanDerWaalsContact O-N 3.08Å; D233-R235 PolarHBondContact O-N 2.84Å |
| 234 | Q | 51.1 | Low | 49.8 | Very low | 189 Ų | 189 | 130.5 Ų | 130.5 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | | | trans | -82.3 | 48.9 | 161.8 | -144 | 168 | 35.8 | 0 | 0 | 111.9 | M236 | Q234-M236 PolarHBondContact O-N 2.94Š|
| 235 | R | 42.2 | Very low | 48.5 | Very low | 197 Ų | 197 | 132.5 Ų | 132.5 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | | | trans | -66.1 | 121.7 | 161.9 | 172.2 | -173.8 | 173.3 | -141.6 | -3.9 | 107.1 | D233 S237 | D233-R235 PolarHBondContact O-N 2.84Å; R235-S237 PolarHBondContact O-N 3.24Å; R235-S237 VanDerWaalsContact O-N 3.09Å |
| 236 | M | 45.6 | Very low | 47.2 | Very low | 181 Ų | 181 | 133.7 Ų | 133.7 | 89% | 0.892 | 73% | 0.733 | S | S | * | * | | | trans | -43.8 | 120 | 171.7 | -69.5 | 170.3 | 171.8 | 0 | 0 | 110.3 | Q234 A238 | Q234-M236 PolarHBondContact O-N 2.94Å; M236-A238 PolarHBondContact O-N 3.44Å |
| 237 | S | 45.6 | Very low | 46.1 | Very low | 63 Ų | 63 | 134.4 Ų | 134.4 | 44% | 0.441 | 74% | 0.735 | S | S | . | * | | | trans | -60 | 126.4 | -178.2 | 42.3 | 0 | 0 | 0 | 0 | 109.3 | R235 T239 | R235-S237 PolarHBondContact O-N 3.24Å; R235-S237 VanDerWaalsContact O-N 3.09Å; S237-T239 PolarHBondContact O-N 3.03Å |
| 238 | A | 46.8 | Very low | 45.1 | Very low | 87 Ų | 87 | 132.8 Ų | 132.8 | 72% | 0.719 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -77.1 | 19.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | M236 | M236-A238 PolarHBondContact O-N 3.44Š|
| 239 | T | 49.5 | Very low | 44.7 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 66% | 0.656 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -143.2 | 102.5 | -175 | 46.4 | 0 | 0 | 0 | 0 | 106.5 | S237 F241 | S237-T239 PolarHBondContact O-N 3.03Å; T239-F241 VanDerWaalsContact C-N 3.28Å; T239-F241 PolarHBondContact O-N 3.21Å |
| 240 | G | 50.2 | Low | 44 | Very low | 86 Ų | 86 | 136.6 Ų | 136.6 | 89% | 0.887 | 74% | 0.739 | S | S | * | * | | | trans | -74.6 | 73.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 241 | F | 34.3 | Very low | 43.6 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 72% | 0.719 | 74% | 0.739 | S | S | * | * | | | trans | -157 | 95.9 | 162.9 | -155 | -95.1 | 0 | 0 | 0 | 108.6 | T239 E243 | T239-F241 VanDerWaalsContact C-N 3.28Å; T239-F241 PolarHBondContact O-N 3.21Å; F241-E243 HydrophobicContact CD1-CB 4.3Å; F241-E243 HydrophobicContact CE1-CB 3.97Å; F241-E243 HydrophobicContact CE1-CG 4.05Å |
| 242 | E | 43.8 | Very low | 42.7 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | | | trans | -98.5 | 123.9 | 153.6 | -82.5 | -173.8 | 116.5 | 0 | 0 | 106.6 | | |
| 243 | E | 43.9 | Very low | 41.5 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 67% | 0.673 | 75% | 0.748 | S | S | * | * | | | trans | -75.2 | 132.6 | -169.2 | -170.1 | 157.8 | -160.3 | 0 | 0 | 110.1 | F241 D245 | F241-E243 HydrophobicContact CD1-CB 4.3Å; F241-E243 HydrophobicContact CE1-CB 3.97Å; F241-E243 HydrophobicContact CE1-CG 4.05Å; E243-D245 PolarHBondContact O-N 3.22Å |
| 244 | T | 46.2 | Very low | 40.8 | Very low | 133 Ų | 133 | 138.8 Ų | 138.8 | 82% | 0.816 | 75% | 0.748 | S | S | * | * | | | trans | -79.3 | 68.1 | 178.2 | 54 | 0 | 0 | 0 | 0 | 110.7 | L246 | T244-L246 PolarHBondContact O-N 3.19Š|
| 245 | D | 41.6 | Very low | 40.1 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | | | trans | -70.1 | 74.6 | 161.4 | -105.7 | -34.9 | 0 | 0 | 0 | 108.8 | E243 T247 | E243-D245 PolarHBondContact O-N 3.22Å; D245-T247 PolarHBondContact O-N 2.71Å |
| 246 | L | 40.2 | Very low | 39.5 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | | | trans | -67.9 | 81.6 | 175.2 | -173.1 | 72.9 | 0 | 0 | 0 | 107.7 | T244 Y248 | T244-L246 PolarHBondContact O-N 3.19Å; L246-Y248 HydrophobicContact CD2-CD2 3.84Å; L246-Y248 HydrophobicContact CD2-CE2 4.01Å; L246-Y248 HydrophobicContact CG-CD2 4.2Å; L246-Y248 PolarHBondContact O-N 2.97Å |
| 247 | T | 37.8 | Very low | 38.8 | Very low | 130 Ų | 130 | 126.3 Ų | 126.3 | 80% | 0.798 | 74% | 0.742 | S | S | * | * | | | trans | -65.4 | 80.4 | 172.5 | -60.5 | 0 | 0 | 0 | 0 | 108.8 | D245 Q249 | D245-T247 PolarHBondContact O-N 2.71Å; T247-Q249 PolarHBondContact O-N 2.98Å |
| 248 | Y | 33.6 | Very low | 37.9 | Very low | 175 Ų | 175 | 132.1 Ų | 132.1 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | | | trans | -58.9 | 118.5 | 166.6 | -124.4 | -79.5 | 0 | 0 | 0 | 107.1 | L246 V250 | L246-Y248 HydrophobicContact CD2-CD2 3.84Å; L246-Y248 HydrophobicContact CD2-CE2 4.01Å; L246-Y248 HydrophobicContact CG-CD2 4.2Å; L246-Y248 PolarHBondContact O-N 2.97Å; Y248-V250 HydrophobicContact CD1-CG2 3.54Å; Y248-V250 HydrophobicContact CE1-CG2 4.21Å; Y248-V250 HydrophobicContact CG-CG2 4.08Å; Y248-V250 PolarHBondContact O-N 3.03Å |
| 249 | Q | 39.7 | Very low | 37.3 | Very low | 188 Ų | 188 | 133.6 Ų | 133.6 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | | | trans | -74.1 | 74.2 | 153.5 | -76.9 | -175 | 60.1 | 0 | 0 | 107.6 | T247 | T247-Q249 PolarHBondContact O-N 2.98Š|
| 250 | V | 31.7 | Very low | 36.6 | Very low | 86 Ų | 86 | 137.1 Ų | 137.1 | 52% | 0.521 | 77% | 0.768 | S | S | . | * | | | trans | -68.8 | 127.9 | 151.9 | 172.6 | 0 | 0 | 0 | 0 | 105.8 | Y248 E252 | Y248-V250 HydrophobicContact CD1-CG2 3.54Å; Y248-V250 HydrophobicContact CE1-CG2 4.21Å; Y248-V250 HydrophobicContact CG-CG2 4.08Å; Y248-V250 PolarHBondContact O-N 3.03Å; V250-E252 HydrophobicContact CG1-CB 4.46Å; V250-E252 PolarHBondContact O-N 2.93Å |
| 251 | S | 38.8 | Very low | 35.9 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | | | trans | -72.5 | 80.7 | 167.1 | -57 | 0 | 0 | 0 | 0 | 108.7 | S253 | S251-S253 PolarHBondContact O-N 3.28Š|
| 252 | E | 29.4 | Very low | 36 | Very low | 169 Ų | 169 | 135.6 Ų | 135.6 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | | | trans | -71.6 | 80.2 | 177.5 | 50.2 | -172.1 | 60.4 | 0 | 0 | 111 | V250 D254 | V250-E252 HydrophobicContact CG1-CB 4.46Å; V250-E252 PolarHBondContact O-N 2.93Å; E252-D254 PolarHBondContact O-N 3.45Å |
| 253 | S | 31.3 | Very low | 35.8 | Very low | 114 Ų | 114 | 135.5 Ų | 135.5 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | | | trans | -70.8 | 70.9 | 167.4 | -59.7 | 0 | 0 | 0 | 0 | 110.1 | S251 | S251-S253 PolarHBondContact O-N 3.28Š|
| 254 | D | 34.1 | Very low | 35.3 | Very low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | | | trans | -64.2 | 147.6 | 172.1 | -164.7 | -97 | 0 | 0 | 0 | 110.9 | E252 | E252-D254 PolarHBondContact O-N 3.45Š|
| 255 | S | 36.4 | Very low | 35.2 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | | | trans | -133.7 | 111.2 | -163.1 | -176.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 256 | S | 29.3 | Very low | 34.7 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | | | trans | -147.8 | 130.3 | 167.3 | 58 | 0 | 0 | 0 | 0 | 110.8 | | |
| 257 | G | 30.3 | Very low | 34.3 | Very low | 77 Ų | 77 | 138 Ų | 138 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | | | trans | 129.5 | 81.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 258 | E | 27.9 | Very low | 34 | Very low | 184 Ų | 184 | 137.6 Ų | 137.6 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | trans | -12.5 | 134 | 161.9 | -52.2 | 171.3 | 75.3 | 0 | 0 | 116.3 | | |
| 259 | T | 34.4 | Very low | 33.9 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | | | | -173 | 150.7 | 63 | 46.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 260 | K | 34.2 | Very low | 33.5 | Very low | 181 Ų | 181 | 131.7 Ų | 131.7 | 79% | 0.787 | 76% | 0.763 | S | S | * | * | | | trans | 62.3 | 146.3 | 160.1 | -80.2 | 173.2 | 152.5 | -88.9 | 0 | 117 | | |
| 261 | D | 34.6 | Very low | 33.4 | Very low | 108 Ų | 108 | 135 Ų | 135 | 58% | 0.578 | 78% | 0.777 | S | S | * | * | | | cis | -155.2 | 151.1 | 5.3 | -133.6 | -42.2 | 0 | 0 | 0 | 113.1 | | |
| 262 | T | 36.1 | Very low | 33 | Very low | 110 Ų | 110 | 137 Ų | 137 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | | | trans | 65.2 | 112.7 | 141.6 | -70.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 263 | L | 40.3 | Very low | 33.6 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | trans | 99.1 | 162.6 | 153.1 | -67.6 | 167 | 0 | 0 | 0 | 121.7 | | |
| 264 | K | 33.5 | Very low | 33.5 | Very low | 196 Ų | 196 | 133.1 Ų | 133.1 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | | | trans | -126.2 | 159.3 | -143.2 | -72.8 | -178.3 | 175.9 | 179.2 | 0 | 115.9 | | |
| 265 | P | 44.5 | Very low | 33.4 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -101.8 | 167.6 | -178.8 | 40.2 | -37.1 | 0 | 0 | 0 | 116.3 | | |
| 266 | A | 31.4 | Very low | 33.1 | Very low | 87 Ų | 87 | 134.3 Ų | 134.3 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | | | trans | -157.5 | 129.5 | 162 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 267 | F | 30.9 | Very low | 33.2 | Very low | 193 Ų | 193 | 133.9 Ų | 133.9 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | | 60.3 | 140.1 | 86.4 | -70.5 | -68.1 | 0 | 0 | 0 | 114.4 | | |
| 268 | T | 31.8 | Very low | 33.2 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | cis | -157.6 | 140.5 | 23.2 | 10.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 269 | V | 30.7 | Very low | 33.4 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | | | | 73.9 | 103.7 | 96.6 | 178.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 270 | T | 31 | Very low | 33.1 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | | | trans | 65.6 | 138.6 | 131.2 | -53.3 | 0 | 0 | 0 | 0 | 125.2 | | |
| 271 | N | 29.9 | Very low | 32.9 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | | | trans | 106.4 | 144.5 | 147.5 | -105.3 | 20.9 | 0 | 0 | 0 | 123.8 | | |
| 272 | L | 30.3 | Very low | 32.7 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | | | trans | -88.6 | -179 | 168.6 | -104.8 | 69.6 | 0 | 0 | 0 | 111 | | |
| 273 | P | 43.4 | Very low | 32.8 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | | | cis | -133.2 | -171.7 | -32.5 | 38.2 | -21.7 | 0 | 0 | 0 | 111.8 | | |
| 274 | G | 27.8 | Very low | 32.3 | Very low | 78 Ų | 78 | 133.5 Ų | 133.5 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | 135.8 | 132.6 | 149.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 275 | T | 31.8 | Very low | 32.4 | Very low | 143 Ų | 143 | 129.9 Ų | 129.9 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | | | trans | -72.3 | 142.8 | 178.8 | 49.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 276 | T | 31.1 | Very low | 32.2 | Very low | 144 Ų | 144 | 129.5 Ų | 129.5 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | | -171.4 | 170.3 | 118.9 | -166.5 | 0 | 0 | 0 | 0 | 111 | | |
| 277 | S | 31 | Very low | 32.6 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | -115.6 | 144.7 | -163.8 | -52.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 278 | T | 30.6 | Very low | 32.8 | Very low | 150 Ų | 150 | 128.3 Ų | 128.3 | 92% | 0.92 | 80% | 0.797 | S | S | * | * | | | trans | -139.7 | 153.4 | 151.8 | 28.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 279 | I | 31.6 | Very low | 32.9 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | | | trans | -114 | 133.9 | -165.7 | -67.2 | 164.3 | 0 | 0 | 0 | 110.4 | | |
| 280 | Q | 27.9 | Very low | 33.2 | Very low | 180 Ų | 180 | 134.2 Ų | 134.2 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | | | trans | -161.3 | 147.9 | 137.6 | -120.7 | 176.7 | 2 | 0 | 0 | 115.7 | | |
| 281 | T | 31.5 | Very low | 33.1 | Very low | 117 Ų | 117 | 135 Ų | 135 | 72% | 0.718 | 82% | 0.816 | S | S | * | * | | | trans | 71.8 | 85.1 | 150.5 | -46 | 0 | 0 | 0 | 0 | 120.1 | | |
| 282 | A | 28.6 | Very low | 33.3 | Very low | 92 Ų | 92 | 132.3 Ų | 132.3 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | | | | 65.8 | 142.5 | 126.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 283 | P | 38.7 | Very low | 33.5 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | | | trans | -103.8 | 173.2 | 179.6 | 41.4 | -36 | 0 | 0 | 0 | 114 | | |
| 284 | S | 30.3 | Very low | 32.8 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -153.2 | 150.5 | 144.2 | -81.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 285 | T | 35.2 | Very low | 34 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | | | trans | -126.3 | 158.9 | -157.8 | -47.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 286 | S | 40.1 | Very low | 33.9 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | trans | -44.2 | 134.3 | 172 | -43.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 287 | T | 39.8 | Very low | 34 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | | | trans | -132.5 | 127.8 | 172.8 | -69.9 | 0 | 0 | 0 | 0 | 111 | | |
| 288 | T | 36.1 | Very low | 35.6 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 76% | 0.761 | 80% | 0.802 | S | S | * | * | | | trans | -84.1 | 154.8 | 167.9 | 173 | 0 | 0 | 0 | 0 | 110.2 | | |
| 289 | M | 32.8 | Very low | 35.6 | Very low | 186 Ų | 186 | 132.1 Ų | 132.1 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | | | trans | -65.9 | 148.4 | -176.4 | -63.2 | -174.7 | 73.6 | 0 | 0 | 112.9 | | |
| 290 | Q | 37.1 | Very low | 35.7 | Very low | 178 Ų | 178 | 130 Ų | 130 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -133.1 | 153.4 | 176.4 | -68.1 | -170.4 | -83.1 | 0 | 0 | 111.9 | | |
| 291 | V | 29.9 | Very low | 35.8 | Very low | 139 Ų | 139 | 127.6 Ų | 127.6 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | | | trans | -165.1 | 142.8 | 144.1 | -87.5 | 0 | 0 | 0 | 0 | 107.3 | | |
| 292 | S | 32.8 | Very low | 35.8 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | cis | -161.8 | 156.6 | -12.4 | -91.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 293 | S | 35 | Very low | 35.9 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | trans | 56.7 | 129.4 | 154.3 | 52.9 | 0 | 0 | 0 | 0 | 122.6 | | |
| 294 | G | 29.5 | Very low | 35.5 | Very low | 72 Ų | 72 | 133.1 Ų | 133.1 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | | | trans | -91.3 | -148.6 | 161 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 295 | P | 53.2 | Low | 37 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | cis | -147.4 | -176.7 | 31 | 43.8 | -24.1 | 0 | 0 | 0 | 118.7 | | |
| 296 | S | 29.2 | Very low | 36.8 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | 92.1 | 158.5 | 151.8 | -144.2 | 0 | 0 | 0 | 0 | 121.4 | | |
| 297 | F | 32.4 | Very low | 36.4 | Very low | 195 Ų | 195 | 132.8 Ų | 132.8 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | | | trans | -135.8 | -172 | -166.6 | -59.6 | -87 | 0 | 0 | 0 | 110.6 | | |
| 298 | P | 65.6 | Low | 36.1 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | cis | -128.4 | 177.5 | -35.9 | 24 | -2.8 | 0 | 0 | 0 | 112.9 | | |
| 299 | I | 31.2 | Very low | 36.1 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | | | | 169.4 | 143.5 | 124.6 | -88.7 | 165.3 | 0 | 0 | 0 | 113.5 | | |
| 300 | T | 32.6 | Very low | 36.1 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 71% | 0.712 | 77% | 0.773 | S | S | * | * | | | trans | -23.3 | 137.2 | 162 | -49.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 301 | N | 29.5 | Very low | 36.2 | Very low | 130 Ų | 130 | 124 Ų | 124 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | | | | -179 | 153.8 | 100.1 | -144.3 | 15.8 | 0 | 0 | 0 | 118 | | |
| 302 | Y | 32.2 | Very low | 37.1 | Very low | 191 Ų | 191 | 123.6 Ų | 123.6 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | | | trans | 19.3 | 135.7 | 152.8 | -84.6 | -149.2 | 0 | 0 | 0 | 126.1 | | |
| 303 | L | 31.1 | Very low | 37.7 | Very low | 161 Ų | 161 | 125 Ų | 125 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | | | trans | 62.5 | 159 | 137.2 | -92.1 | 79.5 | 0 | 0 | 0 | 123.6 | | |
| 304 | A | 30.6 | Very low | 37.7 | Very low | 85 Ų | 85 | 124.1 Ų | 124.1 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | | | trans | -102.9 | -166.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 305 | P | 61.4 | Low | 38.2 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | cis | -142.6 | -146.4 | 6.7 | 37.8 | -12.2 | 0 | 0 | 0 | 114.7 | | |
| 306 | V | 29.8 | Very low | 37 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | | | trans | 93.4 | 106.5 | 162.5 | -45.5 | 0 | 0 | 0 | 0 | 122 | | |
| 307 | S | 32.3 | Very low | 37.3 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | | | | 56.4 | 153.7 | 117.2 | -52.8 | 0 | 0 | 0 | 0 | 124.9 | | |
| 308 | A | 33.5 | Very low | 37.8 | Very low | 85 Ų | 85 | 121.7 Ų | 121.7 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | | | trans | 95.6 | 78.9 | 149.4 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 309 | S | 35.8 | Very low | 36.2 | Very low | 108 Ų | 108 | 124.6 Ų | 124.6 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | | 49.6 | 162.2 | 109.2 | 64 | 0 | 0 | 0 | 0 | 124.2 | | |
| 310 | V | 33.5 | Very low | 36.4 | Very low | 135 Ų | 135 | 120.1 Ų | 120.1 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | 95.3 | 122.9 | 157.9 | -166.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 311 | S | 38.8 | Very low | 36.8 | Very low | 107 Ų | 107 | 121.5 Ų | 121.5 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | -85.8 | 168.4 | 168.6 | -37.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 312 | P | 49.5 | Very low | 37 | Very low | 130 Ų | 130 | 121.2 Ų | 121.2 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | | | trans | -141.1 | 164.5 | 131.9 | 36.5 | -23.6 | 0 | 0 | 0 | 115.1 | | |
| 313 | S | 46 | Very low | 37.4 | Very low | 125 Ų | 125 | 119.8 Ų | 119.8 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -103.1 | 149.6 | 177.8 | -48.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 314 | A | 34.7 | Very low | 37.3 | Very low | 103 Ų | 103 | 121.9 Ų | 121.9 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | | | trans | -152.4 | 165.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 315 | V | 38.8 | Very low | 37.4 | Very low | 137 Ų | 137 | 122.6 Ų | 122.6 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | | | trans | -127.6 | 161 | -166.9 | -63.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 316 | S | 29.5 | Very low | 36 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | -164.2 | 107.3 | 159.6 | -85.9 | 0 | 0 | 0 | 0 | 117 | | |
| 317 | S | 34 | Very low | 36.2 | Very low | 120 Ų | 120 | 121.6 Ų | 121.6 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | | | trans | 41.5 | 112 | 131.1 | -108.4 | 0 | 0 | 0 | 0 | 125.6 | | |
| 318 | A | 42.8 | Very low | 36.2 | Very low | 79 Ų | 79 | 121.9 Ų | 121.9 | 65% | 0.653 | 80% | 0.804 | S | S | * | * | | | | 78.4 | 156.1 | 107.3 | 0 | 0 | 0 | 0 | 0 | 125.3 | | |
| 319 | N | 33 | Very low | 36.3 | Very low | 168 Ų | 168 | 121.1 Ų | 121.1 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | | | trans | 79.9 | 138.4 | 171 | -53.4 | -49.8 | 0 | 0 | 0 | 118.1 | | |
| 320 | G | 35.9 | Very low | 37 | Very low | 64 Ų | 64 | 121.5 Ų | 121.5 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | | | cis | 166.2 | 167.7 | -9.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 321 | T | 40 | Very low | 37.2 | Very low | 144 Ų | 144 | 121.2 Ų | 121.2 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | 77.5 | 147.8 | 161.4 | -44.9 | 0 | 0 | 0 | 0 | 118.5 | | |
| 322 | V | 34.8 | Very low | 37.1 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | | | | -162.7 | 144.2 | -52.7 | 129.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 323 | L | 39.1 | Very low | 36.5 | Very low | 161 Ų | 161 | 120.8 Ų | 120.8 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | 7.8 | 143.1 | 160.3 | -53.8 | 169.3 | 0 | 0 | 0 | 123.9 | | |
| 324 | K | 30.6 | Very low | 35.9 | Very low | 206 Ų | 206 | 118.9 Ų | 118.9 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | | | | -147.4 | 152.6 | 122.1 | -168.2 | 163.8 | -176.9 | 176.1 | 0 | 112 | | |
| 325 | S | 32.8 | Very low | 35.8 | Very low | 99 Ų | 99 | 117.4 Ų | 117.4 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | | | trans | -128.7 | 160.7 | -171.1 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 326 | T | 30.4 | Very low | 35.7 | Very low | 147 Ų | 147 | 118.6 Ų | 118.6 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | | | trans | -165.4 | 149.4 | 148.5 | -68.4 | 0 | 0 | 0 | 0 | 107.3 | | |
| 327 | G | 34.4 | Very low | 36.1 | Very low | 69 Ų | 69 | 120 Ų | 120 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | | | trans | -170.9 | -176.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 328 | S | 32.7 | Very low | 36 | Very low | 125 Ų | 125 | 122.2 Ų | 122.2 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | -164.9 | 138.3 | 179.4 | 49.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 329 | G | 35.6 | Very low | 35.7 | Very low | 69 Ų | 69 | 125 Ų | 125 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | | | trans | -87.8 | -159.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 330 | P | 50.4 | Low | 36.4 | Very low | 117 Ų | 117 | 123.1 Ų | 123.1 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | cis | -151.9 | 155.6 | 45.7 | 42.2 | -21.6 | 0 | 0 | 0 | 120.2 | | |
| 331 | V | 37.8 | Very low | 36.7 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | | | trans | 58.8 | 146.2 | 142.6 | -55.6 | 0 | 0 | 0 | 0 | 126 | | |
| 332 | S | 36 | Very low | 36.4 | Very low | 113 Ų | 113 | 124.6 Ų | 124.6 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | 71.5 | 143.2 | 155.2 | -61.9 | 0 | 0 | 0 | 0 | 119.4 | | |
| 333 | S | 37.3 | Very low | 36.4 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | cis | -178.9 | 147.9 | -16.6 | 48.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 334 | G | 33.3 | Very low | 36.1 | Very low | 84 Ų | 84 | 126.6 Ų | 126.6 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | | | cis | 134.6 | 110.1 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 335 | G | 33.5 | Very low | 36.3 | Very low | 73 Ų | 73 | 124 Ų | 124 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | | | trans | -166.4 | 112.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 336 | L | 36.7 | Very low | 36.4 | Very low | 162 Ų | 162 | 127 Ų | 127 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | | | trans | 66.4 | 122.5 | 144.9 | -59.8 | -179.1 | 0 | 0 | 0 | 124.2 | | |
| 337 | M | 37.2 | Very low | 37.3 | Very low | 152 Ų | 152 | 125.7 Ų | 125.7 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | | | trans | 80.7 | 91.5 | 137.9 | -63.9 | -57.4 | -174.9 | 0 | 0 | 124 | | |
| 338 | Q | 32.2 | Very low | 37.2 | Very low | 167 Ų | 167 | 126.3 Ų | 126.3 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | | | | 76.5 | 99.7 | 108.3 | -166.6 | 158.4 | 6.5 | 0 | 0 | 122.3 | | |
| 339 | L | 36.6 | Very low | 37.2 | Very low | 137 Ų | 137 | 124.3 Ų | 124.3 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | | | | 9.8 | 150.2 | 123.9 | -76.3 | 171.4 | 0 | 0 | 0 | 120.1 | T341 | L339-T341 HydrophobicContact CD2-CG2 4.43Š|
| 340 | P | 46.2 | Very low | 37.1 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | | | cis | -140.9 | 165.2 | 41.4 | 40.9 | -22.9 | 0 | 0 | 0 | 119.5 | | |
| 341 | T | 43.5 | Very low | 36.3 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | | | trans | -94.5 | 140.1 | 172.5 | 49.7 | 0 | 0 | 0 | 0 | 113 | L339 | L339-T341 HydrophobicContact CD2-CG2 4.43Š|
| 342 | S | 32.3 | Very low | 36.1 | Very low | 125 Ų | 125 | 125 Ų | 125 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | trans | -170.5 | 155 | 157.6 | -81.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 343 | F | 34.7 | Very low | 35.9 | Very low | 193 Ų | 193 | 127.5 Ų | 127.5 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | cis | -141.8 | 178.9 | 15.1 | 69.7 | -77.7 | 0 | 0 | 0 | 112.4 | | |
| 344 | T | 34.6 | Very low | 35.6 | Very low | 133 Ų | 133 | 130 Ų | 130 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | | | trans | -114.2 | 158.1 | -172.9 | -59.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 345 | L | 34.9 | Very low | 35.6 | Very low | 151 Ų | 151 | 131.7 Ų | 131.7 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | trans | -81.2 | 167 | -175.4 | -161.5 | 71.2 | 0 | 0 | 0 | 114.5 | | |
| 346 | M | 34.1 | Very low | 36.2 | Very low | 162 Ų | 162 | 133.7 Ų | 133.7 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | | | trans | 84.5 | 163.9 | 167.6 | -55.9 | -167.9 | 72.4 | 0 | 0 | 117.4 | | |
| 347 | P | 49.9 | Very low | 35.9 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | cis | -137.4 | 176.7 | -44 | 37.4 | -21.6 | 0 | 0 | 0 | 114.4 | | |
| 348 | G | 30.8 | Very low | 35.6 | Very low | 83 Ų | 83 | 132.6 Ų | 132.6 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | | | trans | 172.8 | 152.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 349 | G | 33.1 | Very low | 35.5 | Very low | 83 Ų | 83 | 128.8 Ų | 128.8 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | | | trans | -111.2 | -164.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 350 | A | 33.4 | Very low | 35.3 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | | | cis | -161.5 | -153 | 3.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 351 | V | 34 | Very low | 34.6 | Very low | 146 Ų | 146 | 131.1 Ų | 131.1 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | | | trans | 73.1 | 148.4 | 173.8 | -47.1 | 0 | 0 | 0 | 0 | 118 | | |
| 352 | A | 33.5 | Very low | 33.8 | Very low | 92 Ų | 92 | 132.3 Ų | 132.3 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | | | cis | -168.5 | 178.5 | -25.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 353 | Q | 31.7 | Very low | 33.8 | Very low | 167 Ų | 167 | 133.7 Ų | 133.7 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | | | trans | 94.8 | 93.6 | 146.5 | -157.3 | 164.5 | 19.2 | 0 | 0 | 122.9 | | |
| 354 | Q | 31.5 | Very low | 33.6 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | | | | 76.4 | 151.8 | 121 | -157.1 | 168.6 | -6.7 | 0 | 0 | 123.3 | | |
| 355 | V | 32.5 | Very low | 33.4 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | | | trans | -120.8 | 138.2 | -172.8 | 165.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 356 | P | 47.1 | Very low | 34.2 | Very low | 115 Ų | 115 | 130 Ų | 130 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | | | | -162 | 143.1 | 95 | 41 | -18.6 | 0 | 0 | 0 | 121.6 | | |
| 357 | V | 30.1 | Very low | 34.1 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 66% | 0.661 | 78% | 0.783 | S | S | * | * | | | | 55.1 | 118.7 | 121.4 | -169.8 | 0 | 0 | 0 | 0 | 123.6 | | |
| 358 | Q | 30.9 | Very low | 33.2 | Very low | 182 Ų | 182 | 133.1 Ų | 133.1 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | | | trans | 69.3 | 141.7 | 148.2 | -75 | 178.1 | 66.9 | 0 | 0 | 124.5 | | |
| 359 | A | 30.6 | Very low | 33.1 | Very low | 87 Ų | 87 | 133.6 Ų | 133.6 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | | | | 141.3 | 163.6 | 117.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 360 | I | 32.6 | Very low | 32.9 | Very low | 161 Ų | 161 | 135 Ų | 135 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | | | trans | 73.6 | 119.2 | 171.3 | -50.7 | 170.2 | 0 | 0 | 0 | 115.3 | | |
| 361 | Q | 29.7 | Very low | 34.1 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | | | cis | 103.3 | 115.6 | 11 | -165.7 | -179.4 | -2.4 | 0 | 0 | 116.5 | | |
| 362 | V | 27.4 | Very low | 34 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | | | trans | -137.7 | 153.5 | 156.7 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 363 | H | 31.8 | Very low | 33.9 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | | | trans | -136.2 | 144 | 178.9 | -99.3 | 39 | 0 | 0 | 0 | 110.1 | | |
| 364 | Q | 30.6 | Very low | 33.7 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | | | | 175.6 | 159.9 | 114.6 | -93.7 | 178.4 | 6.4 | 0 | 0 | 111.9 | | |
| 365 | A | 32 | Very low | 33.6 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | | | trans | -130.2 | -172.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 366 | P | 50.8 | Low | 33.7 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | | | | -155 | -163.5 | 64.1 | 38.7 | -14.3 | 0 | 0 | 0 | 116.3 | | |
| 367 | Q | 31 | Very low | 33.1 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | trans | 95.1 | 137.2 | 166 | -56.6 | -175.9 | 19.5 | 0 | 0 | 118.2 | | |
| 368 | Q | 32.8 | Very low | 33 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | | | cis | -164.3 | 155.3 | -30.2 | -147 | 170.4 | 0.1 | 0 | 0 | 112.1 | | |
| 369 | A | 28.2 | Very low | 33 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | trans | 73.2 | 164.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 370 | S | 29.4 | Very low | 33.1 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | | | trans | -165.8 | -162.9 | -163.2 | -31.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 371 | P | 58.4 | Low | 33 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | | | cis | -131.4 | -167.9 | -40.3 | 36.3 | -17.5 | 0 | 0 | 0 | 112.7 | | |
| 372 | S | 32 | Very low | 33 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | | 147.7 | 153.1 | 114.7 | 67.8 | 0 | 0 | 0 | 0 | 119.1 | | |
| 373 | R | 31.2 | Very low | 33.2 | Very low | 219 Ų | 219 | 136.9 Ų | 136.9 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | | | trans | 84 | 76.6 | 150.1 | -67.6 | -95.2 | 161.4 | 112.5 | -3.6 | 122 | | |
| 374 | D | 27.3 | Very low | 33.2 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | | 27.3 | 135.6 | 110.3 | -42.8 | -59.6 | 0 | 0 | 0 | 122.5 | | |
| 375 | S | 30.1 | Very low | 33.3 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | | 154.5 | 152.7 | 123.6 | -82 | 0 | 0 | 0 | 0 | 113.6 | | |
| 376 | S | 33 | Very low | 33.2 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | | | cis | -177.3 | 148.5 | -29.3 | -91.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 377 | T | 35.5 | Very low | 32.4 | Very low | 131 Ų | 131 | 132 Ų | 132 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | 60.6 | 153 | 150.2 | 49.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 378 | D | 27 | Very low | 32.6 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | | | cis | -150.4 | -163.8 | -9.6 | -151.6 | -105.2 | 0 | 0 | 0 | 112.1 | | |
| 379 | L | 32.3 | Very low | 32.5 | Very low | 143 Ų | 143 | 127.9 Ų | 127.9 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | | | trans | -89.9 | 160.1 | -171.6 | -78.7 | 60.4 | 0 | 0 | 0 | 114.8 | | |
| 380 | T | 31.2 | Very low | 32.9 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 96% | 0.963 | 79% | 0.79 | S | S | * | * | | | | -164.2 | 170.1 | 127.4 | 9.1 | 0 | 0 | 0 | 0 | 112 | | |
| 381 | Q | 31 | Very low | 33.1 | Very low | 179 Ų | 179 | 131.4 Ų | 131.4 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | | | trans | -135.9 | 135.8 | -163.7 | 171.2 | -170.6 | 78.2 | 0 | 0 | 111.7 | | |
| 382 | T | 30.4 | Very low | 32 | Very low | 134 Ų | 134 | 130.3 Ų | 130.3 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | | | trans | -169.9 | 128.1 | 145.6 | 10.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 383 | S | 31.6 | Very low | 32 | Very low | 102 Ų | 102 | 131.7 Ų | 131.7 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | | | trans | 45.6 | 100.7 | 135.4 | -51 | 0 | 0 | 0 | 0 | 123.5 | | |
| 384 | S | 31.6 | Very low | 32.1 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | | | | 50.4 | 108.6 | 124.1 | 64.3 | 0 | 0 | 0 | 0 | 121.9 | | |
| 385 | S | 31.9 | Very low | 32.1 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | | | | 179.3 | 146.5 | 106 | -76.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 386 | G | 31.2 | Very low | 32.2 | Very low | 73 Ų | 73 | 131 Ų | 131 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | trans | -122.2 | 159.1 | -166.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 387 | T | 33 | Very low | 32.2 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | -147.3 | 139.6 | 153.9 | -30.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 388 | V | 36.3 | Very low | 32.2 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | | | trans | -90 | 129.8 | 179.2 | 176.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 389 | T | 29.3 | Very low | 32.7 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 77% | 0.767 | 81% | 0.805 | S | S | * | * | | | trans | -144.2 | 123.4 | 171.2 | -55 | 0 | 0 | 0 | 0 | 110.2 | | |
| 390 | L | 36.9 | Very low | 33.3 | Very low | 154 Ų | 154 | 129.6 Ų | 129.6 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | | | trans | -85.2 | 135.2 | 173.2 | -70 | 159.7 | 0 | 0 | 0 | 109.4 | A392 | L390-A392 PolarHBondContact O-N 3.14Š|
| 391 | P | 34.3 | Very low | 33.6 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | trans | -77 | 107.1 | 171.2 | 30.3 | -31.8 | 0 | 0 | 0 | 110.2 | | |
| 392 | A | 34.3 | Very low | 33.9 | Very low | 90 Ų | 90 | 126.5 Ų | 126.5 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | | | trans | -91.7 | 116.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110 | L390 I394 | L390-A392 PolarHBondContact O-N 3.14Å; A392-I394 PolarHBondContact O-N 2.75Å |
| 393 | T | 32.1 | Very low | 34.4 | Very low | 136 Ų | 136 | 127.1 Ų | 127.1 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | | | trans | -72.7 | 111.2 | 179.8 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 394 | I | 33.6 | Very low | 34.5 | Very low | 149 Ų | 149 | 126 Ų | 126 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | | | trans | -123.1 | 118.9 | 161 | -60.7 | 178.5 | 0 | 0 | 0 | 107.1 | A392 | A392-I394 PolarHBondContact O-N 2.75Š|
| 395 | M | 28.3 | Very low | 34.8 | Very low | 182 Ų | 182 | 124.1 Ų | 124.1 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | | | trans | -104.8 | 141.3 | 162.6 | -72.1 | -136.6 | 75.5 | 0 | 0 | 109.5 | | |
| 396 | T | 32.3 | Very low | 35.1 | Very low | 126 Ų | 126 | 126.6 Ų | 126.6 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | trans | -137.2 | 135.4 | -175.7 | 170.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 397 | S | 33.3 | Very low | 35.7 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | | | trans | -167.8 | 141.8 | 174.7 | 55.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 398 | S | 35.4 | Very low | 35.8 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | | | cis | -164.9 | 147.2 | -23.1 | 39.9 | 0 | 0 | 0 | 0 | 109 | | |
| 399 | V | 37.5 | Very low | 36.1 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | trans | -38.4 | 160.5 | 169.1 | -79.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 400 | P | 43.3 | Very low | 36.8 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | | | cis | -141.4 | -175 | 31 | 41.2 | -20.5 | 0 | 0 | 0 | 118.6 | | |
| 401 | T | 38.6 | Very low | 36.5 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | | | trans | -96.4 | 166.8 | 179.7 | 49.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 402 | T | 37.6 | Very low | 37 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | | | | -162.7 | 155.3 | 127.3 | 18.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 403 | V | 41.2 | Very low | 37 | Very low | 147 Ų | 147 | 139.6 Ų | 139.6 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | | | trans | -54.3 | 149.2 | -173.1 | 176.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 404 | G | 33.2 | Very low | 37.2 | Very low | 79 Ų | 79 | 137.8 Ų | 137.8 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | | | trans | -178.5 | 63.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 405 | G | 37.1 | Very low | 37.5 | Very low | 67 Ų | 67 | 136.8 Ų | 136.8 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | | | trans | -96.9 | 120.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 406 | H | 37.9 | Very low | 37.6 | Very low | 182 Ų | 182 | 136.9 Ų | 136.9 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | | | trans | -142.2 | 132.3 | 155.3 | -90 | -73.8 | 0 | 0 | 0 | 110.2 | | |
| 407 | M | 43.6 | Very low | 37.6 | Very low | 184 Ų | 184 | 141.2 Ų | 141.2 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | | | trans | -90.8 | 129.3 | 175.9 | -59 | 172.8 | -173.5 | 0 | 0 | 109.3 | | |
| 408 | M | 36.4 | Very low | 37.7 | Very low | 173 Ų | 173 | 140.3 Ų | 140.3 | 85% | 0.852 | 82% | 0.818 | S | S | * | * | | | trans | -136.8 | 128 | 170.4 | -77.1 | -67.4 | 176.9 | 0 | 0 | 109.5 | | |
| 409 | Y | 41.4 | Very low | 37.7 | Very low | 230 Ų | 230 | 141 Ų | 141 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 136.4 | 179 | -78.4 | -106.1 | 0 | 0 | 0 | 111.4 | | |
| 410 | P | 44.4 | Very low | 37.6 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -84 | 118.8 | 159.1 | -2.5 | 21.3 | 0 | 0 | 0 | 110.1 | | |
| 411 | S | 31.3 | Very low | 37.1 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 74% | 0.741 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 143.8 | 169.8 | -171.7 | 0 | 0 | 0 | 0 | 110.6 | H413 | S411-H413 PolarHBondContact O-N 2.88Š|
| 412 | P | 43.6 | Very low | 36.9 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -87.3 | 66.3 | -161.5 | 35.6 | -38.4 | 0 | 0 | 0 | 115 | | |
| 413 | H | 36 | Very low | 36.9 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 85% | 0.847 | 83% | 0.829 | S | S | * | * | | | trans | -144.4 | 97.3 | 167.5 | -80.1 | -59.4 | 0 | 0 | 0 | 113.6 | S411 | S411-H413 PolarHBondContact O-N 2.88Š|
| 414 | A | 36.1 | Very low | 36.5 | Very low | 98 Ų | 98 | 137.1 Ų | 137.1 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | | | trans | -154.7 | 138.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 415 | V | 38.9 | Very low | 36.6 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | | | trans | -94.2 | 127.9 | 175.1 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | Y417 | V415-Y417 HydrophobicContact CG1-CD2 4.01Å; V415-Y417 HydrophobicContact CG1-CE2 4.1Å |
| 416 | M | 29.6 | Very low | 36.5 | Very low | 183 Ų | 183 | 141.9 Ų | 141.9 | 90% | 0.901 | 83% | 0.831 | S | S | * | * | | | trans | -100 | 107.2 | 177 | -73.3 | -80.5 | -95.9 | 0 | 0 | 110.6 | | |
| 417 | Y | 34.4 | Very low | 36.1 | Very low | 217 Ų | 217 | 139.1 Ų | 139.1 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 159 | 161.9 | -92.8 | -95.4 | 0 | 0 | 0 | 110.6 | V415 | V415-Y417 HydrophobicContact CG1-CD2 4.01Å; V415-Y417 HydrophobicContact CG1-CE2 4.1Å |
| 418 | A | 33.3 | Very low | 35.7 | Very low | 89 Ų | 89 | 137.7 Ų | 137.7 | 74% | 0.736 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 147.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 419 | P | 35.7 | Very low | 35.7 | Very low | 125 Ų | 125 | 136 Ų | 136 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 125.7 | 172.8 | 31.9 | -32.6 | 0 | 0 | 0 | 111.8 | | |
| 420 | T | 35.4 | Very low | 35.2 | Very low | 138 Ų | 138 | 131 Ų | 131 | 85% | 0.847 | 82% | 0.82 | S | S | * | * | | | trans | -104.9 | 118.3 | 160.4 | 52.2 | 0 | 0 | 0 | 0 | 108.9 | G422 | T420-G422 PolarHBondContact O-N 2.77Š|
| 421 | S | 33.1 | Very low | 34.5 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 94% | 0.944 | 82% | 0.822 | S | S | * | * | | | trans | -67.8 | 127.4 | -179.5 | -53.8 | 0 | 0 | 0 | 0 | 112 | | |
| 422 | G | 34.5 | Very low | 34.6 | Very low | 73 Ų | 73 | 134.1 Ų | 134.1 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | | | trans | -141.5 | 148 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | T420 | T420-G422 PolarHBondContact O-N 2.77Š|
| 423 | L | 36.9 | Very low | 33.8 | Very low | 179 Ų | 179 | 132.9 Ų | 132.9 | 94% | 0.937 | 82% | 0.821 | S | S | * | * | | | trans | -95 | 150.4 | -174.8 | -65.8 | 104 | 0 | 0 | 0 | 112.6 | | |
| 424 | G | 34.6 | Very low | 33.4 | Very low | 69 Ų | 69 | 133 Ų | 133 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | | | trans | 69.2 | 171.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 425 | D | 34.6 | Very low | 33 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | | | cis | -154.5 | 162.9 | -29.8 | 45.7 | -86.3 | 0 | 0 | 0 | 108.1 | S427 | D425-S427 PolarHBondContact O-N 2.91Š|
| 426 | G | 35 | Very low | 32.7 | Very low | 83 Ų | 83 | 135 Ų | 135 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | | | trans | -86.3 | 117.1 | -155.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 427 | S | 29.9 | Very low | 33 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | | | trans | -156 | 158.9 | 142.3 | -161 | 0 | 0 | 0 | 0 | 112.9 | D425 | D425-S427 PolarHBondContact O-N 2.91Š|
| 428 | L | 34.9 | Very low | 33.2 | Very low | 155 Ų | 155 | 126.5 Ų | 126.5 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | | | trans | -100.9 | 142.7 | 178.2 | -68.4 | 157.2 | 0 | 0 | 0 | 110.2 | | |
| 429 | T | 36.2 | Very low | 33.3 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | | | | -172.1 | 121.6 | 126.9 | 26.9 | 0 | 0 | 0 | 0 | 114 | | |
| 430 | V | 31.5 | Very low | 33 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 76% | 0.758 | 81% | 0.811 | S | S | * | * | | | | 50.5 | 95.3 | 127 | -171.2 | 0 | 0 | 0 | 0 | 120 | | |
| 431 | L | 29.8 | Very low | 32.7 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | | | | 36.1 | 128.4 | 118.1 | -75.9 | 165.8 | 0 | 0 | 0 | 122.5 | | |
| 432 | N | 32.1 | Very low | 32.6 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | | 74.5 | 116.5 | 128.9 | -175 | 52 | 0 | 0 | 0 | 121 | | |
| 433 | A | 27 | Very low | 32.4 | Very low | 89 Ų | 89 | 133.1 Ų | 133.1 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | | | | -172.2 | 123.7 | 117.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 434 | F | 28.5 | Very low | 31.9 | Very low | 186 Ų | 186 | 129.2 Ų | 129.2 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | | | trans | 38.8 | 127.3 | 137.1 | -98.4 | -123.1 | 0 | 0 | 0 | 124.4 | | |
| 435 | S | 27.8 | Very low | 31.7 | Very low | 83 Ų | 83 | 134.6 Ų | 134.6 | 58% | 0.58 | 79% | 0.792 | S | S | * | * | | | | 91.4 | 126.5 | 126.7 | -81.4 | 0 | 0 | 0 | 0 | 124.3 | | |
| 436 | Q | 31 | Very low | 31.4 | Very low | 185 Ų | 185 | 131.2 Ų | 131.2 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | trans | 66 | 112.3 | 136.7 | -63.2 | -179.7 | 16.1 | 0 | 0 | 120.3 | | |
| 437 | A | 36.6 | Very low | 31.1 | Very low | 92 Ų | 92 | 135.8 Ų | 135.8 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | | | trans | -90.3 | 139.3 | 151.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 438 | P | 38.9 | Very low | 31 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | | | trans | -80.3 | 145.9 | 171.6 | 32.6 | -33.5 | 0 | 0 | 0 | 111.8 | | |
| 439 | S | 34.6 | Very low | 30.8 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -105.6 | 134.6 | 175.6 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 440 | T | 30.8 | Very low | 30.4 | Very low | 140 Ų | 140 | 138.2 Ų | 138.2 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | | | trans | -172.8 | 159.4 | 159.2 | 37.8 | 0 | 0 | 0 | 0 | 110 | | |
| 441 | M | 29.1 | Very low | 31.1 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 77% | 0.768 | 77% | 0.771 | S | S | * | * | | | cis | -174.5 | 160.6 | -36.7 | -155.8 | -173.9 | 164.3 | 0 | 0 | 107 | | |
| 442 | Q | 30.9 | Very low | 31 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | trans | 64 | 172.6 | 163.9 | -70.1 | -176 | -85.8 | 0 | 0 | 117.6 | | |
| 443 | V | 29.6 | Very low | 30.9 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | | | | -157 | 159 | -60.9 | 116.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 444 | S | 25.7 | Very low | 31.1 | Very low | 97 Ų | 97 | 133.7 Ų | 133.7 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | trans | -22.4 | 133.2 | 174.9 | -45.6 | 0 | 0 | 0 | 0 | 119.1 | | |
| 445 | H | 31.1 | Very low | 31.8 | Very low | 182 Ų | 182 | 130.1 Ų | 130.1 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | | | | -162.8 | 164.9 | 104.8 | -118.2 | -82.4 | 0 | 0 | 0 | 114.6 | | |
| 446 | S | 28.2 | Very low | 31.9 | Very low | 93 Ų | 93 | 134.4 Ų | 134.4 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | | | trans | -78 | 154.1 | 173.5 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 447 | Q | 28.5 | Very low | 31.9 | Very low | 178 Ų | 178 | 131.7 Ų | 131.7 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | | 167.3 | 129.9 | 120.2 | -177.1 | 161.1 | 3 | 0 | 0 | 114.3 | | |
| 448 | V | 28.5 | Very low | 31.5 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 71% | 0.709 | 79% | 0.789 | S | S | * | * | | | trans | 13.8 | 142.7 | 149.2 | -170.8 | 0 | 0 | 0 | 0 | 121.5 | | |
| 449 | Q | 30.3 | Very low | 31.2 | Very low | 182 Ų | 182 | 138.1 Ų | 138.1 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | | | trans | 122.4 | 131.7 | 144.1 | -147.1 | 80 | 41.6 | 0 | 0 | 117 | | |
| 450 | E | 27.6 | Very low | 31 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | | | trans | -77.8 | 177.7 | 165.3 | -75 | -94.3 | 123.1 | 0 | 0 | 112.1 | | |
| 451 | P | 45.8 | Very low | 31 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | | | cis | -138.4 | 175 | -30.9 | 34.8 | -16.3 | 0 | 0 | 0 | 115.5 | | |
| 452 | G | 28 | Very low | 31.1 | Very low | 84 Ų | 84 | 134.7 Ų | 134.7 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | | | trans | 100.1 | 146.5 | 139.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 453 | G | 29.7 | Very low | 31.3 | Very low | 81 Ų | 81 | 133 Ų | 133 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | trans | 143.7 | 106.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 454 | V | 32.3 | Very low | 31.5 | Very low | 141 Ų | 141 | 129.9 Ų | 129.9 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | trans | -68.3 | -176.3 | 167.8 | -67.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 455 | P | 42.3 | Very low | 31.9 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | | | cis | -134.7 | -179.8 | -8.7 | 40.6 | -23.9 | 0 | 0 | 0 | 115.6 | | |
| 456 | Q | 30.1 | Very low | 31.8 | Very low | 174 Ų | 174 | 130 Ų | 130 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | | | trans | -171.6 | 113.3 | 138.1 | -109.3 | -174.9 | 53.8 | 0 | 0 | 112.6 | | |
| 457 | V | 30.7 | Very low | 31.9 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | | 70.2 | 144.8 | 105.9 | -49.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 458 | F | 29.3 | Very low | 32.2 | Very low | 194 Ų | 194 | 131.4 Ų | 131.4 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | | | trans | -103.7 | 166.4 | -175.4 | -96 | -110.8 | 0 | 0 | 0 | 113 | | |
| 459 | L | 32 | Very low | 32.8 | Very low | 162 Ų | 162 | 131 Ų | 131 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | | | trans | 172.6 | 92.3 | 143.9 | -90.9 | 155 | 0 | 0 | 0 | 109.5 | | |
| 460 | T | 31 | Very low | 32.9 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | | | | 76.4 | 112.2 | 90.2 | 60.5 | 0 | 0 | 0 | 0 | 119.3 | | |
| 461 | A | 31.3 | Very low | 33.2 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | | | trans | 62.1 | 129.7 | 137.2 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 462 | S | 30.7 | Very low | 32.8 | Very low | 124 Ų | 124 | 126 Ų | 126 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | | | | -179.2 | 173.6 | 102.5 | -161 | 0 | 0 | 0 | 0 | 112.4 | | |
| 463 | S | 34.9 | Very low | 33.1 | Very low | 127 Ų | 127 | 129 Ų | 129 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | | | trans | -131.7 | 156.2 | -168.8 | -66.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 464 | G | 33 | Very low | 33.3 | Very low | 60 Ų | 60 | 132.6 Ų | 132.6 | 62% | 0.619 | 80% | 0.797 | S | S | * | * | | | trans | 179.4 | 119.5 | 160 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 465 | T | 34.2 | Very low | 33.3 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | | | | 95.4 | 153.8 | 51.6 | 55.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 466 | V | 30.1 | Very low | 32.8 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 87% | 0.873 | 80% | 0.802 | S | S | * | * | | | trans | 90.6 | 152.8 | 179.9 | -170.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 467 | Q | 29 | Very low | 32.9 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | | | | -164.1 | 175.6 | -96 | -165.6 | -170.6 | 75.4 | 0 | 0 | 110 | | |
| 468 | I | 35.8 | Very low | 33 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | | | trans | 72 | 159.4 | 164.1 | -10.4 | -176 | 0 | 0 | 0 | 115.7 | | |
| 469 | P | 40.6 | Very low | 33.3 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 71% | 0.708 | 81% | 0.814 | S | S | * | * | | | | -121.8 | -178.9 | -82.4 | 40.5 | -28.6 | 0 | 0 | 0 | 115.2 | | |
| 470 | V | 33.5 | Very low | 33.4 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 92% | 0.915 | 82% | 0.815 | S | S | * | * | | | trans | -115 | 131.6 | 156.2 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 471 | S | 33.7 | Very low | 33.4 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | | | trans | -109.2 | 145.9 | 179.2 | 54.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 472 | A | 36.5 | Very low | 33.5 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | | | trans | -61.5 | 166.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 473 | V | 34.4 | Very low | 33.6 | Very low | 148 Ų | 148 | 138 Ų | 138 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | | | trans | -150.7 | 150.5 | 130.7 | 131.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 474 | Q | 34.3 | Very low | 33.5 | Very low | 155 Ų | 155 | 140.2 Ų | 140.2 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | | | trans | -79.2 | 150.7 | -169.5 | -152.2 | 89.7 | -9.7 | 0 | 0 | 113.7 | | |
| 475 | L | 32.2 | Very low | 33.4 | Very low | 169 Ų | 169 | 142 Ų | 142 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | | | trans | -118.2 | 141.1 | 152.8 | -100.6 | 171.9 | 0 | 0 | 0 | 110 | | |
| 476 | H | 32.5 | Very low | 33.3 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | | | trans | -90.3 | 141.7 | -174.7 | -69.8 | 76.7 | 0 | 0 | 0 | 111.5 | | |
| 477 | Q | 31.9 | Very low | 33.3 | Very low | 193 Ų | 193 | 138.5 Ų | 138.5 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | | | trans | -92.2 | 152.9 | 161.6 | -61.4 | -177.2 | 19.7 | 0 | 0 | 109.5 | | |
| 478 | M | 32.3 | Very low | 33.4 | Very low | 192 Ų | 192 | 135.3 Ų | 135.3 | 95% | 0.946 | 81% | 0.808 | S | S | * | * | | | trans | -122.5 | 142.9 | 161.7 | -82.5 | -157.5 | 155.2 | 0 | 0 | 110.3 | | |
| 479 | A | 35.3 | Very low | 33.5 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | | | trans | -84.6 | 157.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 480 | V | 34.3 | Very low | 33.1 | Very low | 142 Ų | 142 | 135.1 Ų | 135.1 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | | | trans | -97.2 | 123.7 | -178.7 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 481 | I | 31.2 | Very low | 33.4 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | | | trans | -138.6 | 123.5 | 165.8 | -69.2 | -175.9 | 0 | 0 | 0 | 110.5 | | |
| 482 | G | 33.2 | Very low | 33.7 | Very low | 60 Ų | 60 | 135.9 Ų | 135.9 | 62% | 0.619 | 81% | 0.805 | S | S | * | * | | | | 68.2 | 98.9 | 129.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 483 | Q | 33.1 | Very low | 33.8 | Very low | 170 Ų | 170 | 140.5 Ų | 140.5 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | trans | 79.9 | 134.3 | 134.6 | -71.4 | -161 | 37 | 0 | 0 | 123.8 | | |
| 484 | Q | 31.9 | Very low | 33.9 | Very low | 173 Ų | 173 | 141.3 Ų | 141.3 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | | | trans | 82.8 | 147.6 | 145.2 | -76 | -173 | 45.4 | 0 | 0 | 123 | | |
| 485 | A | 30.9 | Very low | 34 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | | | trans | 69.9 | 76.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 486 | G | 32.7 | Very low | 34.4 | Very low | 76 Ų | 76 | 140.1 Ų | 140.1 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | | | | 45.6 | 122.9 | 124.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 487 | S | 29.6 | Very low | 34.6 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | | | trans | -154 | 147.7 | 144.9 | -85.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 488 | S | 32.3 | Very low | 34.7 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | | | trans | -88.6 | 144.9 | -169.2 | 49.7 | 0 | 0 | 0 | 0 | 114.3 | N490 | S488-N490 PolarHBondContact O-N 2.98Å; S488-N490 PolarHBondContact O-ND2 3.06Å; S488-N490 PolarHBondContact OG-ND2 2.89Å |
| 489 | S | 37.4 | Very low | 35.4 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | trans | -66.8 | 93.7 | 173.4 | 42.6 | 0 | 0 | 0 | 0 | 111.6 | L491 | S489-L491 VanDerWaalsContact C-N 3.3Å; S489-L491 PolarHBondContact O-N 3.29Å |
| 490 | N | 32.8 | Very low | 35.3 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | | | trans | -78.1 | 76.8 | 177.2 | -83.3 | -102.7 | 0 | 0 | 0 | 111.5 | S488 T492 | S488-N490 PolarHBondContact O-N 2.98Å; S488-N490 PolarHBondContact O-ND2 3.06Å; S488-N490 PolarHBondContact OG-ND2 2.89Å; N490-T492 PolarHBondContact O-N 2.94Å |
| 491 | L | 38.2 | Very low | 35.5 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | | | trans | -80.7 | 98.4 | 157.4 | -74.4 | 173.2 | 0 | 0 | 0 | 108.2 | S489 E493 | S489-L491 VanDerWaalsContact C-N 3.3Å; S489-L491 PolarHBondContact O-N 3.29Å; L491-E493 PolarHBondContact O-N 3.04Å; L491-E493 VanDerWaalsContact O-N 3.08Å |
| 492 | T | 39.8 | Very low | 36 | Very low | 120 Ų | 120 | 129 Ų | 129 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | | | trans | -75.7 | 94.5 | 174.3 | 33.7 | 0 | 0 | 0 | 0 | 110.8 | N490 L494 | N490-T492 PolarHBondContact O-N 2.94Å; T492-L494 PolarHBondContact O-N 3.04Å; T492-L494 VanDerWaalsContact O-N 3.13Å |
| 493 | E | 39 | Very low | 36.2 | Very low | 189 Ų | 189 | 133.9 Ų | 133.9 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | | | trans | -59.8 | 111.9 | 166.2 | -70 | -168.3 | 91.2 | 0 | 0 | 110.2 | L491 Q495 | L491-E493 PolarHBondContact O-N 3.04Å; L491-E493 VanDerWaalsContact O-N 3.08Å; E493-Q495 VanDerWaalsContact C-N 3.34Å; E493-Q495 PolarHBondContact O-N 3.07Å |
| 494 | L | 38.1 | Very low | 36.4 | Very low | 166 Ų | 166 | 131.6 Ų | 131.6 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | | | trans | -81.3 | 84.5 | 178.7 | -87.1 | 167.5 | 0 | 0 | 0 | 111.3 | T492 | T492-L494 PolarHBondContact O-N 3.04Å; T492-L494 VanDerWaalsContact O-N 3.13Å |
| 495 | Q | 36.3 | Very low | 36.6 | Very low | 164 Ų | 164 | 129.9 Ų | 129.9 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | trans | 8.4 | 113.2 | 148 | -162.2 | 170.9 | 8.7 | 0 | 0 | 116.1 | E493 V497 | E493-Q495 VanDerWaalsContact C-N 3.34Å; E493-Q495 PolarHBondContact O-N 3.07Å; Q495-V497 PolarHBondContact O-N 2.86Å |
| 496 | V | 39.6 | Very low | 36.9 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | trans | -69.1 | 100.5 | 169.4 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | N498 | V496-N498 PolarHBondContact O-N 3.04Š|
| 497 | V | 36.8 | Very low | 37.2 | Very low | 110 Ų | 110 | 136 Ų | 136 | 67% | 0.667 | 78% | 0.778 | S | S | * | * | | | trans | -75.9 | 92.8 | 168.4 | -175.4 | 0 | 0 | 0 | 0 | 108.2 | Q495 L499 | Q495-V497 PolarHBondContact O-N 2.86Å; V497-L499 HydrophobicContact CG1-CD1 4.16Å |
| 498 | N | 32.9 | Very low | 37.4 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 119.4 | 171.5 | -162.5 | 31.2 | 0 | 0 | 0 | 108.5 | V496 | V496-N498 PolarHBondContact O-N 3.04Š|
| 499 | L | 47.4 | Very low | 37.7 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 126 | 175 | -119.2 | 69.7 | 0 | 0 | 0 | 109.1 | V497 | V497-L499 HydrophobicContact CG1-CD1 4.16Š|
| 500 | D | 34.3 | Very low | 37.7 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 138.8 | -174.4 | -172.7 | -108 | 0 | 0 | 0 | 112.3 | | |
| 501 | T | 37.9 | Very low | 38 | Very low | 103 Ų | 103 | 147.1 Ų | 147.1 | 63% | 0.632 | 81% | 0.805 | S | S | * | * | | | trans | -114.5 | 94.7 | 178 | -58.6 | 0 | 0 | 0 | 0 | 109 | H503 | T501-H503 PolarHBondContact O-N 2.88Š|
| 502 | A | 41.3 | Very low | 38 | Very low | 90 Ų | 90 | 146.4 Ų | 146.4 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | | | trans | -60.2 | 107.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 503 | H | 38.3 | Very low | 37.8 | Very low | 162 Ų | 162 | 148.1 Ų | 148.1 | 75% | 0.75 | 81% | 0.808 | S | S | * | * | | | trans | -123.8 | 99.1 | 173.3 | -89.9 | -57.8 | 0 | 0 | 0 | 112.4 | T501 T505 | T501-H503 PolarHBondContact O-N 2.88Å; H503-T505 PolarHBondContact O-N 3.36Å |
| 504 | S | 37.5 | Very low | 37.8 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | | | trans | 1.7 | 103.9 | 152.2 | -171 | 0 | 0 | 0 | 0 | 116.7 | | |
| 505 | T | 35.9 | Very low | 37.7 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | | | trans | -84.8 | 115.5 | 165.3 | 48.4 | 0 | 0 | 0 | 0 | 110.5 | H503 | H503-T505 PolarHBondContact O-N 3.36Š|
| 506 | K | 36.6 | Very low | 37.8 | Very low | 191 Ų | 191 | 142.3 Ų | 142.3 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | | | trans | -60 | 141.2 | 172.9 | 177.7 | -167.4 | 171.4 | -155.9 | 0 | 111.3 | | |
| 507 | S | 38.2 | Very low | 37.7 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | -71.3 | 143.1 | 173.5 | -48.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 508 | E | 35.3 | Very low | 37.8 | Very low | 261 Ų | 261 | 146 Ų | 146 | 100% | 1.22 | 81% | 0.811 | S | S | * | * | | | trans | -136.3 | 0 | 151.3 | -168.6 | 166 | 115.3 | 0 | 0 | 107.2 | | |