| 1 | E | 36.4 | Very low | 35.2 | Very low | 240 Ų | 240 | 146.6 Ų | 146.6 | 100% | 1.122 | 84% | 0.836 | S | S | * | * | | | | 0 | 106.3 | 0 | -171.1 | 167.8 | -179.4 | 0 | 0 | 106.2 | | |
| 2 | S | 35.7 | Very low | 34.6 | Very low | 107 Ų | 107 | 144.3 Ų | 144.3 | 75% | 0.748 | 84% | 0.835 | S | S | * | * | | | trans | 44.1 | 100.3 | 178.5 | 53.4 | 0 | 0 | 0 | 0 | 116.7 | | |
| 3 | D | 37.2 | Very low | 34.1 | Very low | 152 Ų | 152 | 149.7 Ų | 149.7 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | | | | 63.9 | 101.4 | 51.7 | -67.1 | -15.1 | 0 | 0 | 0 | 116.6 | | |
| 4 | E | 38.4 | Very low | 33.9 | Very low | 195 Ų | 195 | 148.8 Ų | 148.8 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | | | trans | 41.4 | 136.7 | 132.7 | -62.7 | -171.1 | 142.6 | 0 | 0 | 122.9 | | |
| 5 | A | 34.9 | Very low | 33.7 | Very low | 91 Ų | 91 | 145.1 Ų | 145.1 | 75% | 0.752 | 82% | 0.823 | S | S | * | * | | | trans | -132.5 | 123.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 6 | L | 36.8 | Very low | 33.6 | Very low | 183 Ų | 183 | 144.1 Ų | 144.1 | 96% | 0.958 | 82% | 0.82 | S | S | * | * | | | | 172.6 | 141.5 | 122.6 | -95.6 | 161.7 | 0 | 0 | 0 | 113.9 | | |
| 7 | G | 34.2 | Very low | 33.6 | Very low | 68 Ų | 68 | 144.6 Ų | 144.6 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | | | trans | 91.8 | 133.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 8 | P | 42.8 | Very low | 33.5 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | | | | -149 | 169 | 52.3 | 42.2 | -23.2 | 0 | 0 | 0 | 118 | | |
| 9 | T | 29.3 | Very low | 33.3 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | | | trans | 61.5 | 134.6 | 135.2 | -61.9 | 0 | 0 | 0 | 0 | 124.1 | | |
| 10 | M | 28.8 | Very low | 33 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 82% | 0.823 | 80% | 0.803 | S | S | * | * | | | trans | 105.7 | 110.5 | 143.5 | -107.1 | 171.4 | 159.6 | 0 | 0 | 122.7 | | |
| 11 | M | 32.4 | Very low | 32.9 | Very low | 162 Ų | 162 | 142 Ų | 142 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | | | trans | 41.3 | 124.7 | 130.2 | -62 | -65.2 | -162.1 | 0 | 0 | 121.8 | | |
| 12 | S | 28.2 | Very low | 32.8 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | trans | -152.8 | 153.4 | 144.6 | -171.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 13 | W | 28.8 | Very low | 32.7 | Very low | 214 Ų | 214 | 140.3 Ų | 140.3 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | | | trans | -119.8 | 164.7 | -174.1 | -94.7 | 46.2 | 0 | 0 | 0 | 112.2 | | |
| 14 | N | 30.6 | Very low | 32.7 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | | | trans | 96.7 | 103.1 | 155.5 | -61.6 | -37.3 | 0 | 0 | 0 | 120.9 | | |
| 15 | A | 30.6 | Very low | 32.5 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | | | | 66.8 | 128.5 | 111.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 16 | V | 32.8 | Very low | 32.4 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 78% | 0.782 | 78% | 0.781 | S | S | * | * | | | trans | -160 | 114.3 | 137.7 | 144.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 17 | E | 32.7 | Very low | 32.3 | Very low | 153 Ų | 153 | 133.2 Ų | 133.2 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | | | trans | 52.1 | 147.5 | 131.2 | -63 | -150.5 | 145.2 | 0 | 0 | 123.1 | | |
| 18 | K | 32.5 | Very low | 32.2 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 65% | 0.648 | 78% | 0.783 | S | S | * | * | | | cis | -152.7 | 153.6 | -1.4 | -82.7 | -132.6 | 179.6 | 178.3 | 0 | 113.7 | | |
| 19 | L | 29.6 | Very low | 31.9 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | 55.1 | 111.3 | 138.6 | -64.8 | 172.2 | 0 | 0 | 0 | 124.4 | | |
| 20 | C | 27.5 | Very low | 32.2 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | | | trans | -37.1 | 149 | 149.1 | -173.6 | 0 | 0 | 0 | 0 | 118.9 | | |
| 21 | A | 30.6 | Very low | 32.4 | Very low | 106 Ų | 106 | 139 Ų | 139 | 88% | 0.876 | 79% | 0.787 | S | S | * | * | | | trans | -145 | 143.6 | 134.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 22 | K | 35.6 | Very low | 32.5 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | | | trans | -143.4 | 142.1 | -177.5 | 178.5 | 171.5 | -177.3 | 170.8 | 0 | 109.6 | | |
| 23 | S | 33.6 | Very low | 32.9 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | -140.6 | 157.3 | 154.8 | 67.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 24 | A | 37 | Very low | 33.4 | Very low | 74 Ų | 74 | 143 Ų | 143 | 61% | 0.612 | 80% | 0.799 | S | S | * | * | | | trans | -142 | 163.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 25 | N | 32.4 | Very low | 33.7 | Very low | 165 Ų | 165 | 145.4 Ų | 145.4 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | | | trans | 167.4 | 145.1 | 147 | -82.6 | -21.3 | 0 | 0 | 0 | 107.3 | | |
| 26 | A | 33.3 | Very low | 33.9 | Very low | 77 Ų | 77 | 148.8 Ų | 148.8 | 64% | 0.636 | 81% | 0.808 | S | S | * | * | | | cis | 175 | 122.7 | -32.4 | 0 | 0 | 0 | 0 | 0 | 105.2 | | |
| 27 | I | 36.2 | Very low | 34.2 | Very low | 156 Ų | 156 | 150.7 Ų | 150.7 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | | | trans | 55.3 | 114.8 | 147.5 | -51.7 | 164.6 | 0 | 0 | 0 | 118.9 | | |
| 28 | E | 30.5 | Very low | 34.3 | Very low | 193 Ų | 193 | 151.4 Ų | 151.4 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | | | | -150.8 | 137.4 | 121.5 | -125.4 | -178 | -143.6 | 0 | 0 | 110.9 | | |
| 29 | T | 36.8 | Very low | 34.3 | Very low | 132 Ų | 132 | 151.4 Ų | 151.4 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | | | trans | -118.8 | 130.2 | -177.7 | 44.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 30 | K | 36.8 | Very low | 34.5 | Very low | 206 Ų | 206 | 149 Ų | 149 | 90% | 0.896 | 83% | 0.825 | S | S | * | * | | | trans | -131.1 | 120 | 165.4 | -113 | 175.2 | -179.3 | 170.3 | 0 | 109.8 | | |
| 31 | G | 31.5 | Very low | 34.9 | Very low | 75 Ų | 75 | 151.6 Ų | 151.6 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | | | trans | -77.3 | 147.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 32 | F | 34.7 | Very low | 34.9 | Very low | 212 Ų | 212 | 152.3 Ų | 152.3 | 93% | 0.93 | 83% | 0.83 | S | S | * | * | | | trans | -77.1 | 127 | 165.2 | -78.4 | -98.8 | 0 | 0 | 0 | 110 | | |
| 33 | N | 38 | Very low | 35.1 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 89% | 0.893 | 83% | 0.825 | S | S | * | * | | | trans | -105 | 117.3 | 163 | -79.1 | -33.3 | 0 | 0 | 0 | 109.3 | | |
| 34 | K | 39.5 | Very low | 35.1 | Very low | 198 Ų | 198 | 149.2 Ų | 149.2 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | | | trans | -75.9 | 134.1 | 161 | -87.2 | 179.4 | 171.3 | 178.1 | 0 | 108.8 | | |
| 35 | K | 36.1 | Very low | 34.8 | Very low | 188 Ų | 188 | 153.8 Ų | 153.8 | 82% | 0.817 | 83% | 0.825 | S | S | * | * | | | trans | 159.3 | 126.4 | 138.1 | -86.5 | 152.4 | -174.4 | -175.3 | 0 | 107.4 | | |
| 36 | D | 34.4 | Very low | 34.8 | Very low | 165 Ų | 165 | 153.2 Ų | 153.2 | 88% | 0.882 | 82% | 0.822 | S | S | * | * | | | | -175.7 | 107.5 | 121.8 | -83.4 | -14.6 | 0 | 0 | 0 | 108.1 | | |
| 37 | L | 38.9 | Very low | 34.7 | Very low | 169 Ų | 169 | 155.5 Ų | 155.5 | 89% | 0.885 | 83% | 0.833 | S | S | * | * | | | trans | -95.1 | 130.6 | 155.9 | -82.7 | 160.1 | 0 | 0 | 0 | 105 | | |
| 38 | E | 34.4 | Very low | 34.5 | Very low | 169 Ų | 169 | 153.8 Ų | 153.8 | 79% | 0.79 | 84% | 0.836 | S | S | * | * | | | | 169.7 | 136.6 | 122 | -92.7 | -179.8 | -171.2 | 0 | 0 | 113.5 | | |
| 39 | L | 34.1 | Very low | 34.5 | Very low | 148 Ų | 148 | 149.1 Ų | 149.1 | 78% | 0.775 | 83% | 0.83 | S | S | * | * | | | trans | 53.3 | 104.8 | 137.3 | -56.4 | 171.2 | 0 | 0 | 0 | 120.5 | | |
| 40 | A | 33.3 | Very low | 34.3 | Very low | 107 Ų | 107 | 150.9 Ų | 150.9 | 88% | 0.884 | 83% | 0.833 | S | S | * | * | | | trans | -149.3 | 81.9 | 135 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 41 | L | 34.7 | Very low | 34.1 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 86% | 0.859 | 83% | 0.828 | S | S | * | * | | | trans | -87.5 | 134.9 | 156.2 | -77.1 | 172.8 | 0 | 0 | 0 | 108.5 | | |
| 42 | S | 31.6 | Very low | 34 | Very low | 122 Ų | 122 | 149.3 Ų | 149.3 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | | | trans | -154.3 | 138.5 | 154.8 | -79.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 43 | P | 39.7 | Very low | 33.7 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | | | trans | -126.1 | -172.6 | -164.6 | 30.6 | -6.9 | 0 | 0 | 0 | 114.1 | | |
| 44 | I | 32.2 | Very low | 33.1 | Very low | 134 Ų | 134 | 141.1 Ų | 141.1 | 69% | 0.687 | 82% | 0.816 | S | S | * | * | | | trans | 67.2 | 110.2 | 159.5 | -18 | -179.8 | 0 | 0 | 0 | 117.7 | | |
| 45 | H | 31.9 | Very low | 32.5 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 79% | 0.787 | 82% | 0.819 | S | S | * | * | | | | -176.1 | 142.1 | 97.5 | -110.2 | -76.9 | 0 | 0 | 0 | 115.8 | | |
| 46 | N | 32 | Very low | 32.2 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | | | trans | -70.6 | 143 | 172.4 | -59.1 | -36.9 | 0 | 0 | 0 | 111.8 | | |
| 47 | S | 31 | Very low | 31.8 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | | | trans | -157.1 | 142.6 | 141.2 | 51.8 | 0 | 0 | 0 | 0 | 112 | | |
| 48 | S | 31.5 | Very low | 31.5 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | | | trans | -81.6 | 132.2 | 179.4 | 51.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 49 | A | 32 | Very low | 31.1 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | | | trans | -160.5 | 124 | 153.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 50 | L | 31.1 | Very low | 31.1 | Very low | 168 Ų | 168 | 135.9 Ų | 135.9 | 88% | 0.88 | 82% | 0.815 | S | S | * | * | | | trans | -69.7 | 150.9 | 153.5 | -80.5 | 158.5 | 0 | 0 | 0 | 108.8 | | |
| 51 | P | 33.9 | Very low | 30.9 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | | | | -135.6 | 157.4 | 121.7 | 36.9 | -27.7 | 0 | 0 | 0 | 114.6 | | |
| 52 | T | 28.3 | Very low | 30.9 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | | | trans | -86.2 | 153.3 | -176.5 | 14.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 53 | T | 28.1 | Very low | 30.9 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | | | trans | 64.1 | 105.2 | 143.3 | -52.1 | 0 | 0 | 0 | 0 | 120.4 | | |
| 54 | G | 26.2 | Very low | 30.5 | Very low | 70 Ų | 70 | 140.2 Ų | 140.2 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | | | | 96.3 | 96.1 | 113 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 55 | R | 27.6 | Very low | 30.4 | Very low | 247 Ų | 247 | 143 Ų | 143 | 93% | 0.932 | 82% | 0.818 | S | S | * | * | | | trans | -173.2 | 116.8 | 138.9 | -105.4 | 169.9 | 169.7 | -178.9 | -4.4 | 107.6 | | |
| 56 | S | 28.5 | Very low | 30.6 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | | | | 82.2 | 113.9 | 66.6 | -167.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 57 | C | 27.8 | Very low | 30.5 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | | | trans | 53.3 | 146.1 | 169.4 | 62.2 | 0 | 0 | 0 | 0 | 118 | | |
| 58 | V | 30.9 | Very low | 30.5 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | | | cis | -144.8 | 152.4 | 35.2 | 171 | 0 | 0 | 0 | 0 | 111.6 | | |
| 59 | N | 27.3 | Very low | 30.5 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | | | trans | -68.7 | 146 | 175.6 | -60.5 | -64.5 | 0 | 0 | 0 | 113.9 | | |
| 60 | L | 34.2 | Very low | 30.4 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | | | trans | -148.1 | 119.1 | 145.5 | -141.6 | 151.1 | 0 | 0 | 0 | 111.2 | | |
| 61 | A | 29.3 | Very low | 30.3 | Very low | 84 Ų | 84 | 144.2 Ų | 144.2 | 69% | 0.694 | 81% | 0.812 | S | S | * | * | | | trans | -93.4 | 152.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 62 | K | 34.4 | Very low | 30 | Very low | 199 Ų | 199 | 147 Ų | 147 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | | | trans | -159.8 | 95.3 | 151.1 | -99.4 | 155.3 | -172.4 | -178.6 | 0 | 107.3 | | |
| 63 | K | 31.4 | Very low | 30.1 | Very low | 180 Ų | 180 | 145.6 Ų | 145.6 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | | | | 56.1 | 99.8 | 101.9 | -90.1 | -168.1 | 173.4 | -174.1 | 0 | 114.5 | | |
| 64 | C | 30.9 | Very low | 30.1 | Very low | 132 Ų | 132 | 145.2 Ų | 145.2 | 89% | 0.892 | 81% | 0.813 | S | S | * | * | | | trans | -142.9 | 128.1 | 133.5 | -89.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 65 | F | 30.1 | Very low | 30.3 | Very low | 193 Ų | 193 | 150.6 Ų | 150.6 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | | | trans | -88.1 | 138.1 | 169.4 | -71.5 | -97 | 0 | 0 | 0 | 108 | | |
| 66 | S | 35.5 | Very low | 30.5 | Very low | 121 Ų | 121 | 146.5 Ų | 146.5 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | | | trans | -115.9 | 129.6 | 162.3 | -169.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 67 | G | 29.8 | Very low | 30.5 | Very low | 68 Ų | 68 | 148 Ų | 148 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | | | trans | -73.8 | 137.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 68 | E | 31.8 | Very low | 30.9 | Very low | 191 Ų | 191 | 148.8 Ų | 148.8 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | | | trans | -82.4 | 118.7 | 163.6 | -169.1 | 167.1 | -150 | 0 | 0 | 107.2 | | |
| 69 | V | 31.3 | Very low | 31 | Very low | 120 Ų | 120 | 149 Ų | 149 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | | | trans | -109.8 | 106.2 | 177.7 | 178.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 70 | S | 30.2 | Very low | 31.1 | Very low | 106 Ų | 106 | 147.2 Ų | 147.2 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | | | trans | -65.6 | 137.6 | 170.1 | -49.5 | 0 | 0 | 0 | 0 | 110.5 | E72 | S70-E72 PolarHBondContact O-N 3.44Š|
| 71 | W | 28.3 | Very low | 31.1 | Very low | 251 Ų | 251 | 146.9 Ų | 146.9 | 95% | 0.951 | 80% | 0.801 | S | S | * | * | | | trans | -85 | 104.9 | 169 | -68.8 | 95.7 | 0 | 0 | 0 | 109.5 | | |
| 72 | E | 28.2 | Very low | 31.2 | Very low | 181 Ų | 181 | 148.6 Ų | 148.6 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | trans | -93.5 | 127.1 | 174.1 | -161.7 | 162.2 | -136.4 | 0 | 0 | 109 | S70 | S70-E72 PolarHBondContact O-N 3.44Š|
| 73 | A | 29.5 | Very low | 31.1 | Very low | 98 Ų | 98 | 147.2 Ų | 147.2 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | | | trans | -81.4 | 123.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 74 | V | 29.8 | Very low | 31 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | trans | -100.2 | 110.1 | 175.8 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 75 | E | 29.8 | Very low | 31.1 | Very low | 183 Ų | 183 | 144.5 Ų | 144.5 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | | | trans | -70.6 | 144.6 | 165.9 | -62.7 | -178.4 | 143.4 | 0 | 0 | 110 | | |
| 76 | L | 31.4 | Very low | 30.8 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -117.4 | 112.9 | 168.3 | -78.5 | 178 | 0 | 0 | 0 | 110.4 | | |
| 77 | D | 28.1 | Very low | 30.5 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | | | trans | -79.7 | 131.6 | 178.1 | -171.1 | 24.3 | 0 | 0 | 0 | 110.4 | N79 | D77-N79 PolarHBondContact OD2-ND2 3.39Š|
| 78 | V | 36.9 | Very low | 30.4 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -134.9 | 114.3 | 171.2 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 79 | N | 32.5 | Very low | 30.4 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | | | trans | -78 | 160.1 | -171.7 | -95.3 | -76.6 | 0 | 0 | 0 | 114.6 | D77 | D77-N79 PolarHBondContact OD2-ND2 3.39Š|
| 80 | N | 29 | Very low | 30.1 | Very low | 119 Ų | 119 | 144.8 Ų | 144.8 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | | | trans | -83.3 | 145 | -166.3 | -168.5 | 9 | 0 | 0 | 0 | 114 | | |
| 81 | I | 34.6 | Very low | 29.9 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | | | trans | -137.9 | 120.9 | 158.7 | -62.5 | -175.4 | 0 | 0 | 0 | 109 | | |
| 82 | N | 32.2 | Very low | 29.9 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | | | trans | -82 | 156.6 | 178.1 | -61 | -42.5 | 0 | 0 | 0 | 112.7 | | |
| 83 | M | 32.7 | Very low | 29.9 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | | | trans | 173.4 | 147.3 | 134.5 | -80.6 | -28.7 | -144.2 | 0 | 0 | 107.5 | | |
| 84 | D | 27.3 | Very low | 30.1 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | | | cis | 180 | 167.2 | -29.3 | -135.7 | -21.9 | 0 | 0 | 0 | 105.5 | | |
| 85 | T | 33.1 | Very low | 30.1 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 76% | 0.761 | 74% | 0.743 | S | S | * | * | | | trans | 72.1 | 89.5 | 165.8 | 58.4 | 0 | 0 | 0 | 0 | 122.3 | | |
| 86 | D | 25.5 | Very low | 30.1 | Very low | 160 Ų | 160 | 134.6 Ų | 134.6 | 86% | 0.856 | 73% | 0.732 | S | S | * | * | | | | 44.2 | 145 | 104.7 | -95.4 | -26.8 | 0 | 0 | 0 | 125.5 | | |
| 87 | T | 28.9 | Very low | 30.1 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 74% | 0.742 | 72% | 0.72 | S | S | * | * | | | trans | 115.4 | 137.2 | 138.9 | -62 | 0 | 0 | 0 | 0 | 121.3 | | |
| 88 | S | 27.4 | Very low | 29.9 | Very low | 100 Ų | 100 | 137 Ų | 137 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | | | trans | 77.9 | 106.8 | 162.9 | 63.8 | 0 | 0 | 0 | 0 | 117.9 | | |
| 89 | Q | 30.8 | Very low | 29.5 | Very low | 179 Ų | 179 | 134.4 Ų | 134.4 | 84% | 0.836 | 72% | 0.719 | S | S | * | * | | | | 82.1 | 127.1 | 75.1 | -81 | -165 | -16.4 | 0 | 0 | 112.8 | | |
| 90 | L | 26.7 | Very low | 29.3 | Very low | 140 Ų | 140 | 134 Ų | 134 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | | | cis | 115 | 128.3 | 40.5 | -128.7 | 160.8 | 0 | 0 | 0 | 108.6 | F92 | L90-F92 HydrophobicContact CD2-CD2 3.89Å; L90-F92 HydrophobicContact CD2-CE2 3.41Å; L90-F92 VanDerWaalsContact CD2-CE2 3.41Å; L90-F92 HydrophobicContact CD2-CZ 4.01Å |
| 91 | G | 24.8 | Very low | 29.2 | Very low | 61 Ų | 61 | 135.6 Ų | 135.6 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | | | trans | 145.9 | 87.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 92 | F | 27.6 | Very low | 29 | Very low | 176 Ų | 176 | 133 Ų | 133 | 77% | 0.772 | 73% | 0.726 | S | S | * | * | | | | 57.8 | 137.7 | 82.8 | -64.8 | -63.3 | 0 | 0 | 0 | 113.2 | L90 | L90-F92 HydrophobicContact CD2-CD2 3.89Å; L90-F92 HydrophobicContact CD2-CE2 3.41Å; L90-F92 VanDerWaalsContact CD2-CE2 3.41Å; L90-F92 HydrophobicContact CD2-CZ 4.01Å |
| 93 | H | 30 | Very low | 28.8 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 65% | 0.648 | 73% | 0.734 | S | S | * | * | | | cis | -158.4 | 148.5 | 32.9 | -131.8 | -87.2 | 0 | 0 | 0 | 112 | | |
| 94 | Q | 32.3 | Very low | 28.5 | Very low | 153 Ų | 153 | 126.4 Ų | 126.4 | 72% | 0.715 | 73% | 0.729 | S | S | * | * | | | trans | 44.2 | 123 | 141 | -87.4 | 179.8 | -21.1 | 0 | 0 | 122.3 | | |
| 95 | S | 31.4 | Very low | 28.6 | Very low | 84 Ų | 84 | 128 Ų | 128 | 59% | 0.587 | 74% | 0.736 | S | S | * | * | | | | 102.7 | 159.7 | 69.9 | 81.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 96 | N | 29.5 | Very low | 28.4 | Very low | 118 Ų | 118 | 128 Ų | 128 | 63% | 0.631 | 74% | 0.741 | S | S | * | * | | | cis | -154.3 | 159.4 | 19.4 | -101.8 | -41.2 | 0 | 0 | 0 | 111.4 | | |
| 97 | Q | 30.2 | Very low | 28.9 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 59% | 0.589 | 74% | 0.742 | S | S | * | * | | | | 27.9 | 150.1 | 128.2 | -48 | 175.1 | 58.2 | 0 | 0 | 120.2 | | |
| 98 | W | 25.5 | Very low | 28.9 | Very low | 219 Ų | 219 | 133 Ų | 133 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | | | cis | -145.7 | 150.1 | 18.2 | -90.3 | -74.5 | 0 | 0 | 0 | 107.9 | | |
| 99 | A | 27 | Very low | 29.5 | Very low | 82 Ų | 82 | 137.2 Ų | 137.2 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | | | | 89.6 | 152.4 | 50.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 100 | V | 27.9 | Very low | 29.7 | Very low | 127 Ų | 127 | 137.1 Ų | 137.1 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | trans | 101.2 | 104.4 | 164.8 | -172.3 | 0 | 0 | 0 | 0 | 118.7 | | |
| 101 | D | 27.6 | Very low | 29.8 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | 38.8 | 160.6 | 130.2 | -69.4 | -24.9 | 0 | 0 | 0 | 123.8 | | |
| 102 | S | 30.6 | Very low | 31.2 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | cis | -174.5 | 151.3 | -20 | 174.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 103 | G | 27.5 | Very low | 31.8 | Very low | 79 Ų | 79 | 143.4 Ų | 143.4 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | | | trans | 61.4 | 126.3 | 148.4 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 104 | G | 27 | Very low | 32.7 | Very low | 71 Ų | 71 | 141.9 Ų | 141.9 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | | | trans | 170.9 | 76.2 | 166 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 105 | I | 28.8 | Very low | 33.6 | Very low | 165 Ų | 165 | 142.1 Ų | 142.1 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | | | trans | 37 | 116 | 138.8 | -54.8 | 157.8 | 0 | 0 | 0 | 119.7 | | |
| 106 | S | 29.6 | Very low | 35.3 | Very low | 123 Ų | 123 | 147.1 Ų | 147.1 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | | 160.8 | 154.6 | 115.1 | 48.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 107 | E | 36 | Very low | 37.1 | Very low | 186 Ų | 186 | 147.6 Ų | 147.6 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | | | trans | -114.5 | 124.3 | -172.1 | 168.9 | -179.5 | -146.4 | 0 | 0 | 108.5 | | |
| 108 | E | 28.6 | Very low | 38.9 | Very low | 201 Ų | 201 | 147.2 Ų | 147.2 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | | | trans | -161.3 | 154.9 | 149 | -124.4 | -178.3 | 175.9 | 0 | 0 | 115.2 | | |
| 109 | H | 39.9 | Very low | 40.4 | Very low | 188 Ų | 188 | 145.8 Ų | 145.8 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | | | trans | -88.4 | 111 | -166.9 | -127.4 | -104.8 | 0 | 0 | 0 | 111.8 | | |
| 110 | L | 35.1 | Very low | 42.2 | Very low | 176 Ų | 176 | 150.6 Ų | 150.6 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | | | trans | -143 | 119.1 | 164.9 | -85 | -176.9 | 0 | 0 | 0 | 114.9 | | |
| 111 | G | 29.3 | Very low | 43.8 | Very low | 64 Ų | 64 | 149 Ų | 149 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | | | trans | 63.2 | 112.3 | 140.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | R113 | G111-R113 VanDerWaalsContact C-N 3.27Å; G111-R113 PolarHBondContact O-N 3.5Å |
| 112 | K | 53 | Low | 45.6 | Very low | 225 Ų | 225 | 145.1 Ų | 145.1 | 98% | 0.978 | 77% | 0.772 | S | S | * | * | | | trans | -60.8 | 84.3 | 161.8 | -66.7 | 172.7 | -178.7 | 173.3 | 0 | 110.6 | | |
| 113 | R | 41.3 | Very low | 46.7 | Very low | 220 Ų | 220 | 147.3 Ų | 147.3 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | | | trans | -100.9 | 107.2 | 175.1 | -156.8 | 172.8 | -166.1 | 164.8 | 3.2 | 108.8 | G111 L115 | G111-R113 VanDerWaalsContact C-N 3.27Å; G111-R113 PolarHBondContact O-N 3.5Å; R113-L115 PolarHBondContact O-N 3.14Å |
| 114 | S | 47.8 | Very low | 48.6 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | trans | -62.9 | 104.4 | 172 | 55.1 | 0 | 0 | 0 | 0 | 109.1 | K116 | S114-K116 PolarHBondContact O-N 3.03Š|
| 115 | L | 52.9 | Low | 50.2 | Low | 158 Ų | 158 | 147.9 Ų | 147.9 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | | | trans | -63.3 | 103 | 173.2 | -102.6 | 66.7 | 0 | 0 | 0 | 108.7 | R113 | R113-L115 PolarHBondContact O-N 3.14Š|
| 116 | K | 67 | Low | 51.8 | Low | 189 Ų | 189 | 144 Ų | 144 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 139.5 | 161.3 | -91.4 | -175.6 | 171.3 | -178.1 | 0 | 108 | S114 | S114-K116 PolarHBondContact O-N 3.03Š|
| 117 | R | 67.6 | Low | 52.9 | Low | 128 Ų | 128 | 142.6 Ų | 142.6 | 48% | 0.483 | 73% | 0.731 | S | S | . | * | P | Polyproline II helix | trans | -72.1 | 133.7 | 177.8 | -36.4 | -167.2 | -53.3 | 114.1 | -9.6 | 107.9 | L121 V122 | R117-L121 PolarHBondContact NH1-O 3.26Å; R117-V122 PolarHBondContact NH2-O 3.39Å |
| 118 | N | 66.3 | Low | 53.6 | Low | 117 Ų | 117 | 142 Ų | 142 | 63% | 0.626 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 158.2 | 173.2 | -69.1 | -21 | 0 | 0 | 0 | 110.3 | E120 L121 | N118-E120 VanDerWaalsContact C-N 3.32Å; N118-E120 PolarHBondContact O-N 3.14Å; N118-L121 PolarHBondContact O-N 3Å; N118-L121 VanDerWaalsContact O-N 3.07Å |
| 119 | F | 58.7 | Low | 54.5 | Low | 190 Ų | 190 | 140.4 Ų | 140.4 | 83% | 0.833 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -57.6 | -38.8 | -171.7 | -174.7 | -106.9 | 0 | 0 | 0 | 113.6 | L121 V122 | F119-L121 PolarHBondContact O-N 3.09Å; F119-L121 VanDerWaalsContact O-N 3.15Å; F119-V122 HydrophobicContact CD2-CG2 4.4Å; F119-V122 WeakPolarHBondContact O-CB 3.1Å; F119-V122 WeakPolarHBondContact O-CG2 3.39Å; F119-V122 PolarHBondContact O-N 3.3Å; F119-V122 VanDerWaalsContact O-N 3.13Å |
| 120 | E | 63.7 | Low | 55.1 | Low | 183 Ų | 183 | 136.6 Ų | 136.6 | 86% | 0.855 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -65.2 | -15.8 | 178.5 | -67 | 170.7 | 127.6 | 0 | 0 | 114.7 | N118 | N118-E120 VanDerWaalsContact C-N 3.32Å; N118-E120 PolarHBondContact O-N 3.14Å |
| 121 | L | 60.9 | Low | 56 | Low | 94 Ų | 94 | 132.2 Ų | 132.2 | 49% | 0.492 | 68% | 0.677 | S | S | . | * | G | 310 helix | trans | -98.9 | 3.8 | 178.3 | -70.5 | 168.5 | 0 | 0 | 0 | 112.4 | R117 N118 F119 D123 S124 | R117-L121 PolarHBondContact NH1-O 3.26Å; N118-L121 PolarHBondContact O-N 3Å; N118-L121 VanDerWaalsContact O-N 3.07Å; F119-L121 PolarHBondContact O-N 3.09Å; F119-L121 VanDerWaalsContact O-N 3.15Å; L121-D123 VanDerWaalsContact C-N 3.25Å; L121-D123 PolarHBondContact O-N 3.45Å; L121-S124 WeakPolarHBondContact O-CB 3.29Å; L121-S124 PolarHBondContact O-N 3.31Å |
| 122 | V | 65.2 | Low | 56.8 | Low | 70 Ų | 70 | 135 Ų | 135 | 42% | 0.424 | 67% | 0.673 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54.5 | -42 | -171.6 | 165.3 | 0 | 0 | 0 | 0 | 112.1 | R117 F119 S124 | R117-V122 PolarHBondContact NH2-O 3.39Å; F119-V122 HydrophobicContact CD2-CG2 4.4Å; F119-V122 WeakPolarHBondContact O-CB 3.1Å; F119-V122 WeakPolarHBondContact O-CG2 3.39Å; F119-V122 PolarHBondContact O-N 3.3Å; F119-V122 VanDerWaalsContact O-N 3.13Å; V122-S124 VanDerWaalsContact C-N 3.32Å; V122-S124 PolarHBondContact O-N 3.22Å |
| 123 | D | 55.2 | Low | 56.5 | Low | 158 Ų | 158 | 131.4 Ų | 131.4 | 85% | 0.845 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -2.3 | -176.8 | -49.4 | -48.2 | 0 | 0 | 0 | 114 | L121 | L121-D123 VanDerWaalsContact C-N 3.25Å; L121-D123 PolarHBondContact O-N 3.45Å |
| 124 | S | 67.4 | Low | 57.1 | Low | 60 Ų | 60 | 130.2 Ų | 130.2 | 42% | 0.42 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -77.3 | 124 | 174.1 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | L121 V122 | L121-S124 WeakPolarHBondContact O-CB 3.29Å; L121-S124 PolarHBondContact O-N 3.31Å; V122-S124 VanDerWaalsContact C-N 3.32Å; V122-S124 PolarHBondContact O-N 3.22Å |
| 125 | S | 59 | Low | 57.6 | Low | 102 Ų | 102 | 133.1 Ų | 133.1 | 71% | 0.713 | 66% | 0.664 | S | S | * | * | | | trans | -59.6 | 140.7 | 178.5 | -170.9 | 0 | 0 | 0 | 0 | 112.4 | C127 | S125-C127 PolarHBondContact O-N 2.89Š|
| 126 | P | 63.1 | Low | 57.3 | Low | 82 Ų | 82 | 131.7 Ų | 131.7 | 53% | 0.532 | 66% | 0.662 | S | S | . | * | | | trans | -64.4 | 106.6 | -176 | -21.1 | 32.9 | 0 | 0 | 0 | 112.9 | | |
| 127 | C | 52.7 | Low | 55.7 | Low | 95 Ų | 95 | 128.3 Ų | 128.3 | 64% | 0.642 | 66% | 0.66 | S | S | * | * | | | trans | -55.1 | 140.3 | 177.2 | -62.9 | 0 | 0 | 0 | 0 | 112 | S125 K129 I130 | S125-C127 PolarHBondContact O-N 2.89Å; C127-K129 PolarHBondContact O-N 3.33Å; C127-I130 PolarHBondContact O-N 3.29Å |
| 128 | K | 52 | Low | 54.4 | Low | 173 Ų | 173 | 127.6 Ų | 127.6 | 75% | 0.752 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -42.4 | -31.8 | -177.5 | -83.8 | 179.6 | 173.1 | 175.8 | 0 | 115.1 | I130 I131 Q132 | K128-I130 VanDerWaalsContact C-N 3.29Å; K128-I130 PolarHBondContact O-N 3.03Å; K128-I131 PolarHBondContact O-N 3.08Å; K128-I131 VanDerWaalsContact O-N 3.09Å; K128-Q132 PolarHBondContact O-N 3.35Å |
| 129 | K | 47.5 | Very low | 52.7 | Low | 168 Ų | 168 | 129.3 Ų | 129.3 | 73% | 0.73 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -58.6 | -32.1 | 179.2 | -139.7 | 171.7 | -173.1 | 177.1 | 0 | 113.8 | C127 | C127-K129 PolarHBondContact O-N 3.33Å |
| 130 | I | 52.3 | Low | 51.5 | Low | 108 Ų | 108 | 130.3 Ų | 130.3 | 55% | 0.554 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -76.6 | -35.1 | 175.8 | -62.2 | 174.3 | 0 | 0 | 0 | 110.9 | C127 K128 | C127-I130 PolarHBondContact O-N 3.29Å; K128-I130 VanDerWaalsContact C-N 3.29Å; K128-I130 PolarHBondContact O-N 3.03Å |
| 131 | I | 52.5 | Low | 50.1 | Low | 83 Ų | 83 | 129.1 Ų | 129.1 | 43% | 0.426 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -71.4 | -36.9 | -179.1 | -59.9 | 171.5 | 0 | 0 | 0 | 110.8 | K128 N133 K134 K135 | K128-I131 PolarHBondContact O-N 3.08Å; K128-I131 VanDerWaalsContact O-N 3.09Å; I131-N133 VanDerWaalsContact C-N 3.35Å; I131-N133 PolarHBondContact O-N 3.12Å; I131-K134 PolarHBondContact O-N 3.08Å; I131-K134 VanDerWaalsContact O-N 3.1Å; I131-K135 HydrophobicContact CG2-CD 4.17Å; I131-K135 HydrophobicContact CG2-CG 4.49Å; I131-K135 PolarHBondContact O-N 3.4Å |
| 132 | Q | 46.3 | Very low | 48.6 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 58% | 0.579 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -60.4 | -40.5 | 178.4 | -76.7 | 173.7 | -32.9 | 0 | 0 | 112.6 | K128 K134 K135 | K128-Q132 PolarHBondContact O-N 3.35Å; Q132-K134 PolarHBondContact O-N 3.35Å; Q132-K135 PolarHBondContact O-N 3.48Å |
| 133 | N | 46.6 | Very low | 47 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 80% | 0.797 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -10.9 | 176.9 | -72.4 | 7.1 | 0 | 0 | 0 | 114.3 | I131 | I131-N133 VanDerWaalsContact C-N 3.35Å; I131-N133 PolarHBondContact O-N 3.12Å |
| 134 | K | 54.7 | Low | 45.8 | Very low | 195 Ų | 195 | 137.1 Ų | 137.1 | 85% | 0.848 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | 4.4 | -179.3 | -146.6 | -176.2 | -179.2 | -173.3 | 0 | 113.6 | I131 Q132 | I131-K134 PolarHBondContact O-N 3.08Å; I131-K134 VanDerWaalsContact O-N 3.1Å; Q132-K134 PolarHBondContact O-N 3.35Å |
| 135 | K | 57.8 | Low | 44.1 | Very low | 169 Ų | 169 | 142 Ų | 142 | 74% | 0.735 | 71% | 0.714 | S | S | * | * | | | trans | -119.6 | 7.2 | -175.7 | -76.8 | -162.9 | 172.7 | -167 | 0 | 115.5 | I131 Q132 C137 | I131-K135 HydrophobicContact CG2-CD 4.17Å; I131-K135 HydrophobicContact CG2-CG 4.49Å; I131-K135 PolarHBondContact O-N 3.4Å; Q132-K135 PolarHBondContact O-N 3.48Å; K135-C137 PolarHBondContact O-N 2.74Å; K135-C137 VanDerWaalsContact O-N 3.09Å |
| 136 | T | 46.3 | Very low | 42.6 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | | | trans | -84.1 | 80.7 | 177 | -43 | 0 | 0 | 0 | 0 | 111.6 | | |
| 137 | C | 33.8 | Very low | 41.1 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -147.4 | 108.9 | 164.4 | -91.2 | 0 | 0 | 0 | 0 | 110.9 | K135 | K135-C137 PolarHBondContact O-N 2.74Å; K135-C137 VanDerWaalsContact O-N 3.09Å |
| 138 | V | 39.8 | Very low | 39.9 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 69% | 0.691 | 74% | 0.738 | S | S | * | * | | | trans | 59.8 | 106.1 | 160.1 | -166.1 | 0 | 0 | 0 | 0 | 117.7 | Y140 | V138-Y140 HydrophobicContact CG1-CD2 3.95Å; V138-Y140 HydrophobicContact CG1-CE2 3.89Å |
| 139 | E | 32.3 | Very low | 39 | Very low | 153 Ų | 153 | 149.8 Ų | 149.8 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | | | trans | -72.3 | 125.4 | 155.1 | -71.8 | -168.1 | 154.8 | 0 | 0 | 109.9 | K141 | E139-K141 IonicContact OE1-NZ 3.97Å; E139-K141 VanDerWaalsContact OE2-CE 3.29Å; E139-K141 WeakPolarHBondContact OE2-CE 3.29Å; E139-K141 IonicContact OE2-NZ 2.74Å; E139-K141 PolarHBondContact OE2-NZ 2.79Å |
| 140 | Y | 32.2 | Very low | 38.5 | Very low | 211 Ų | 211 | 147.8 Ų | 147.8 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | | | trans | -92.4 | 123 | 156.8 | -88.5 | -91.5 | 0 | 0 | 0 | 108.9 | V138 H142 | V138-Y140 HydrophobicContact CG1-CD2 3.95Å; V138-Y140 HydrophobicContact CG1-CE2 3.89Å; Y140-H142 PolarHBondContact O-N 3.32Å |
| 141 | K | 34.4 | Very low | 37.5 | Very low | 157 Ų | 157 | 150 Ų | 150 | 68% | 0.683 | 76% | 0.758 | S | S | * | * | | | trans | -78.7 | 111.8 | 171.3 | -66.4 | -67.8 | 176.4 | -160.1 | 0 | 109.1 | E139 N143 | E139-K141 IonicContact OE1-NZ 3.97Å; E139-K141 VanDerWaalsContact OE2-CE 3.29Å; E139-K141 WeakPolarHBondContact OE2-CE 3.29Å; E139-K141 IonicContact OE2-NZ 2.74Å; E139-K141 PolarHBondContact OE2-NZ 2.79Å; K141-N143 PolarHBondContact O-N 3.45Å |
| 142 | H | 30 | Very low | 36.9 | Very low | 168 Ų | 168 | 154.9 Ų | 154.9 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | | | trans | -80.7 | 103.1 | 168.7 | -172.3 | -61.5 | 0 | 0 | 0 | 108.6 | Y140 | Y140-H142 PolarHBondContact O-N 3.32Š|
| 143 | N | 31.8 | Very low | 36.6 | Very low | 150 Ų | 150 | 156.4 Ų | 156.4 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | | | trans | -81.9 | 129.4 | 168.6 | -81.6 | 1.2 | 0 | 0 | 0 | 109.1 | K141 | K141-N143 PolarHBondContact O-N 3.45Š|
| 144 | E | 29.6 | Very low | 36.6 | Very low | 172 Ų | 172 | 155.7 Ų | 155.7 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -91.6 | 133.9 | -177.9 | -164.3 | 168.8 | -172.6 | 0 | 0 | 112 | | |
| 145 | M | 31.2 | Very low | 35.6 | Very low | 163 Ų | 163 | 149.7 Ų | 149.7 | 80% | 0.803 | 79% | 0.786 | S | S | * | * | | | trans | -4.7 | 132.7 | 168 | -148.9 | 68.1 | 135.9 | 0 | 0 | 119.6 | | |
| 146 | T | 28.3 | Very low | 34.6 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | trans | -115.7 | 124.8 | 154.4 | -58.5 | 0 | 0 | 0 | 0 | 109.2 | C148 | T146-C148 PolarHBondContact O-N 3.19Š|
| 147 | N | 30.2 | Very low | 34.7 | Very low | 143 Ų | 143 | 149.7 Ų | 149.7 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | | | trans | -63.3 | 131.3 | -177.5 | -69.4 | -35.4 | 0 | 0 | 0 | 112.2 | | |
| 148 | C | 29.1 | Very low | 35.2 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | | | trans | -134.8 | 144.3 | 164.7 | -81.3 | 0 | 0 | 0 | 0 | 110.1 | T146 | T146-C148 PolarHBondContact O-N 3.19Š|
| 149 | Y | 31.7 | Very low | 35.3 | Very low | 221 Ų | 221 | 152.7 Ų | 152.7 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | | | trans | -75.3 | 160.6 | -160.4 | -75.6 | -101 | 0 | 0 | 0 | 114.5 | | |
| 150 | T | 37.3 | Very low | 36 | Very low | 126 Ų | 126 | 151.9 Ų | 151.9 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | trans | -34.1 | 128.8 | 170.7 | 51.5 | 0 | 0 | 0 | 0 | 115 | | |
| 151 | N | 31.7 | Very low | 36.3 | Very low | 153 Ų | 153 | 149 Ų | 149 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -147.3 | 122.2 | 141.9 | -98.3 | -48.8 | 0 | 0 | 0 | 109.8 | | |
| 152 | Q | 40.5 | Very low | 36.5 | Very low | 186 Ų | 186 | 148.5 Ų | 148.5 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | | | trans | -72 | 126 | 164.5 | -62.4 | 174.6 | -1.3 | 0 | 0 | 107.2 | | |
| 153 | N | 39.3 | Very low | 36.8 | Very low | 156 Ų | 156 | 147.8 Ų | 147.8 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | | | trans | -151.7 | 139.9 | 161.2 | -94.9 | -34.9 | 0 | 0 | 0 | 110.9 | | |
| 154 | T | 45.6 | Very low | 36.8 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | | | trans | -90.9 | 145 | -172.7 | 48.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 155 | G | 35 | Very low | 37 | Very low | 68 Ų | 68 | 149 Ų | 149 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | | | trans | 79.1 | 118.2 | 137.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 156 | L | 36.2 | Very low | 37.2 | Very low | 162 Ų | 162 | 146.3 Ų | 146.3 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | | | trans | 75.5 | 132.1 | 148.7 | -55.1 | 175.4 | 0 | 0 | 0 | 119.5 | | |
| 157 | T | 49.2 | Very low | 37.5 | Very low | 135 Ų | 135 | 146.4 Ų | 146.4 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | | | trans | 51.5 | 105.7 | 153.5 | 55.2 | 0 | 0 | 0 | 0 | 118.9 | | |
| 158 | V | 44.5 | Very low | 37.4 | Very low | 141 Ų | 141 | 148.2 Ų | 148.2 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | | | trans | -125 | 126.2 | 150.1 | 174.6 | 0 | 0 | 0 | 0 | 108 | | |
| 159 | E | 40.4 | Very low | 37.4 | Very low | 154 Ų | 154 | 151.3 Ų | 151.3 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | | | trans | -66.6 | 144.9 | 176.5 | -60.1 | 178.9 | 133.2 | 0 | 0 | 111.3 | Q161 | E159-Q161 HydrophobicContact CB-CG 4.47Å; E159-Q161 PolarHBondContact O-N 3.47Å; E159-Q161 PolarHBondContact OE2-NE2 2.86Å |
| 160 | V | 47.3 | Very low | 37.4 | Very low | 137 Ų | 137 | 146.1 Ų | 146.1 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | | | trans | -87.9 | 95.9 | 168.4 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 161 | Q | 39.4 | Very low | 37.2 | Very low | 150 Ų | 150 | 148.6 Ų | 148.6 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | trans | -94.7 | 141.3 | 169.8 | -69.2 | -174.6 | 7.7 | 0 | 0 | 111.5 | E159 | E159-Q161 HydrophobicContact CB-CG 4.47Å; E159-Q161 PolarHBondContact O-N 3.47Å; E159-Q161 PolarHBondContact OE2-NE2 2.86Å |
| 162 | D | 38.8 | Very low | 37.1 | Very low | 146 Ų | 146 | 149 Ų | 149 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | | | trans | 58.4 | 74.2 | 166.2 | -79.7 | 15.3 | 0 | 0 | 0 | 120.3 | K164 | D162-K164 PolarHBondContact O-N 3Š|
| 163 | L | 35.4 | Very low | 36.6 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | | | trans | -83.9 | 84.2 | 148.2 | -80.4 | 171.2 | 0 | 0 | 0 | 110.8 | L165 | L163-L165 PolarHBondContact O-N 3.02Š|
| 164 | K | 31.8 | Very low | 36.2 | Very low | 186 Ų | 186 | 146.7 Ų | 146.7 | 81% | 0.809 | 79% | 0.794 | S | S | * | * | | | trans | -76.1 | 83.2 | -179.7 | -166.8 | 173.5 | -173.5 | 171 | 0 | 112.3 | D162 S166 | D162-K164 PolarHBondContact O-N 3Å; K164-S166 PolarHBondContact O-N 3Å; K164-S166 VanDerWaalsContact O-N 3.09Å |
| 165 | L | 34.4 | Very low | 35.6 | Very low | 162 Ų | 162 | 146.1 Ų | 146.1 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | | | trans | -69.3 | 100.4 | 175.3 | -65.9 | 174.2 | 0 | 0 | 0 | 111.6 | L163 V167 | L163-L165 PolarHBondContact O-N 3.02Å; L165-V167 PolarHBondContact O-N 3.36Å |
| 166 | S | 35.8 | Very low | 35.4 | Very low | 106 Ų | 106 | 147.5 Ų | 147.5 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | | | trans | -77.9 | 109 | 176.2 | 60 | 0 | 0 | 0 | 0 | 111.9 | K164 H168 | K164-S166 PolarHBondContact O-N 3Å; K164-S166 VanDerWaalsContact O-N 3.09Å; S166-H168 PolarHBondContact O-N 3.17Å |
| 167 | V | 33 | Very low | 35.1 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | | | trans | -61.9 | 114.1 | 169.6 | 175.6 | 0 | 0 | 0 | 0 | 109.9 | L165 K169 | L165-V167 PolarHBondContact O-N 3.36Å; V167-K169 PolarHBondContact O-N 3.3Å |
| 168 | H | 28.5 | Very low | 34.6 | Very low | 181 Ų | 181 | 146.2 Ų | 146.2 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | trans | -85.5 | 95.8 | 177.8 | -143.2 | 68.3 | 0 | 0 | 0 | 110.3 | S166 | S166-H168 PolarHBondContact O-N 3.17Š|
| 169 | K | 29.9 | Very low | 34 | Very low | 188 Ų | 188 | 147.2 Ų | 147.2 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | | | trans | -77.2 | 126.5 | 164.5 | -80.8 | -173.9 | 175.2 | -179 | 0 | 109 | V167 Q171 | V167-K169 PolarHBondContact O-N 3.3Å; K169-Q171 PolarHBondContact O-N 2.75Å |
| 170 | S | 31.4 | Very low | 33.4 | Very low | 112 Ų | 112 | 145.8 Ų | 145.8 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | | | trans | -71.2 | 118.3 | 168.7 | 57.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 171 | Q | 32.7 | Very low | 32.7 | Very low | 178 Ų | 178 | 146.5 Ų | 146.5 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | trans | -148.8 | 111.5 | 143.4 | -157.9 | 150.3 | 3.3 | 0 | 0 | 111.7 | K169 | K169-Q171 PolarHBondContact O-N 2.75Š|
| 172 | Q | 30.6 | Very low | 32.2 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | | | trans | -49.8 | 132.7 | 165.1 | 174.1 | -178.5 | 0.4 | 0 | 0 | 111.3 | | |
| 173 | N | 29.6 | Very low | 31.7 | Very low | 147 Ų | 147 | 145.5 Ų | 145.5 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | trans | -152.7 | 138.4 | 156.2 | -88.2 | -46.2 | 0 | 0 | 0 | 109 | | |
| 174 | D | 31.5 | Very low | 31.4 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | | | trans | -76.7 | 144.6 | -172.5 | -56.7 | -74.7 | 0 | 0 | 0 | 113.3 | | |
| 175 | C | 32.8 | Very low | 31.3 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | | | trans | -152.2 | 106.3 | 148.9 | 54 | 0 | 0 | 0 | 0 | 110.8 | | |
| 176 | A | 30.2 | Very low | 31.1 | Very low | 98 Ų | 98 | 141.4 Ų | 141.4 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | | | trans | -71.2 | 150.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 177 | N | 31.1 | Very low | 30.6 | Very low | 125 Ų | 125 | 142 Ų | 142 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | | | | 155.4 | 147.9 | 109.9 | -157.2 | -1.6 | 0 | 0 | 0 | 111.9 | | |
| 178 | K | 37.8 | Very low | 30.5 | Very low | 145 Ų | 145 | 144.1 Ų | 144.1 | 63% | 0.63 | 76% | 0.759 | S | S | * | * | | | trans | 68.9 | 115.3 | 158.7 | -86.5 | 147.7 | -165.5 | -165.8 | 0 | 117.8 | | |
| 179 | E | 31.6 | Very low | 30.6 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | | | | 68 | 136.3 | 83 | -73.5 | 174.3 | -128.6 | 0 | 0 | 110.8 | | |
| 180 | N | 28.2 | Very low | 30.6 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 66% | 0.663 | 77% | 0.765 | S | S | * | * | | | cis | -173.3 | 151.7 | -1.5 | 171.3 | 9.4 | 0 | 0 | 0 | 104.5 | | |
| 181 | I | 32.9 | Very low | 30.8 | Very low | 152 Ų | 152 | 145.8 Ų | 145.8 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | | | trans | 171 | 117 | 142.1 | -89.8 | 153.7 | 0 | 0 | 0 | 109.2 | | |
| 182 | V | 28.3 | Very low | 30.8 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | | | trans | -76.7 | 142.7 | 167.6 | 167.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 183 | N | 28.8 | Very low | 30.7 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | | | trans | -143.5 | 112.6 | 143.6 | -99.5 | -25.3 | 0 | 0 | 0 | 109.7 | | |
| 184 | S | 29.7 | Very low | 30.8 | Very low | 85 Ų | 85 | 146.8 Ų | 146.8 | 59% | 0.594 | 77% | 0.774 | S | S | * | * | | | trans | -75.5 | 149.9 | 173.3 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 185 | F | 28.3 | Very low | 30.8 | Very low | 208 Ų | 208 | 147.5 Ų | 147.5 | 91% | 0.912 | 78% | 0.777 | S | S | * | * | | | trans | -155.3 | 144 | 131 | -99.5 | -68.9 | 0 | 0 | 0 | 111 | | |
| 186 | T | 30.3 | Very low | 31.1 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | -87.9 | 152.3 | -179.5 | 50.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 187 | D | 25.1 | Very low | 31.7 | Very low | 119 Ų | 119 | 150.4 Ų | 150.4 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | | | | -173.2 | 153.4 | 108 | -141.1 | -10.1 | 0 | 0 | 0 | 115.3 | | |
| 188 | K | 31.3 | Very low | 32 | Very low | 175 Ų | 175 | 149.8 Ų | 149.8 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | | | trans | 40 | 138.5 | 156.2 | -80.1 | 146.8 | -154.5 | 148.4 | 0 | 125.4 | | |
| 189 | Q | 31.1 | Very low | 31.9 | Very low | 188 Ų | 188 | 151.6 Ų | 151.6 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | | | trans | -67.8 | 151 | 162.8 | -58.1 | 163.4 | -41.5 | 0 | 0 | 112.4 | | |
| 190 | Q | 29.5 | Very low | 32.4 | Very low | 193 Ų | 193 | 151.3 Ų | 151.3 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | trans | -157.7 | 135.1 | 132.1 | -121.2 | 169.6 | 5 | 0 | 0 | 112.7 | | |
| 191 | T | 35.1 | Very low | 32.8 | Very low | 135 Ų | 135 | 149.8 Ų | 149.8 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | | | trans | -81 | 149.4 | 169.8 | -6.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 192 | P | 33.7 | Very low | 33.6 | Very low | 117 Ų | 117 | 151.7 Ų | 151.7 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | | | trans | -130.8 | 116.1 | 147.7 | 23.4 | -4.4 | 0 | 0 | 0 | 113.2 | | |
| 193 | E | 27.2 | Very low | 34.2 | Very low | 189 Ų | 189 | 154.4 Ų | 154.4 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | | | trans | 34.9 | 135 | 130.3 | -56.5 | -169.6 | 153.7 | 0 | 0 | 122.5 | | |
| 194 | K | 32.5 | Very low | 34.9 | Very low | 203 Ų | 203 | 153.5 Ų | 153.5 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | | | trans | -89.4 | 122.7 | 177.4 | 170.3 | -168.5 | 178.1 | -171.7 | 0 | 110 | | |
| 195 | L | 32.4 | Very low | 35.2 | Very low | 160 Ų | 160 | 156.9 Ų | 156.9 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | | | trans | -106.4 | 154.8 | 167.6 | -74.9 | 176.5 | 0 | 0 | 0 | 112.2 | | |
| 196 | P | 38.9 | Very low | 35.6 | Very low | 117 Ų | 117 | 151.8 Ų | 151.8 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 148.9 | -164.4 | 35.5 | -34.7 | 0 | 0 | 0 | 113.7 | | |
| 197 | I | 41.9 | Very low | 36 | Very low | 164 Ų | 164 | 154.1 Ų | 154.1 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 130.8 | 169.8 | -60.7 | 172.9 | 0 | 0 | 0 | 108 | | |
| 198 | P | 37.4 | Very low | 36.9 | Very low | 112 Ų | 112 | 155 Ų | 155 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 145.8 | -174.3 | 28 | -34.9 | 0 | 0 | 0 | 113.4 | | |
| 199 | M | 36.6 | Very low | 37.4 | Very low | 183 Ų | 183 | 154.9 Ų | 154.9 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 128.7 | 169.4 | -80.2 | 160.2 | 41.2 | 0 | 0 | 110.9 | | |
| 200 | I | 40.5 | Very low | 38 | Very low | 156 Ų | 156 | 153.4 Ų | 153.4 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | | | trans | -109.7 | 111 | 157.8 | -73.1 | 173.1 | 0 | 0 | 0 | 107.1 | K202 | I200-K202 PolarHBondContact O-N 2.96Š|
| 201 | A | 36.8 | Very low | 38.4 | Very low | 92 Ų | 92 | 152.5 Ų | 152.5 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 127.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 202 | K | 50.9 | Low | 38.5 | Very low | 193 Ų | 193 | 150.4 Ų | 150.4 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 118.3 | 163.9 | -70.3 | -170.3 | 174.2 | -171.1 | 0 | 107.7 | I200 L204 | I200-K202 PolarHBondContact O-N 2.96Å; K202-L204 PolarHBondContact O-N 3.26Å |
| 203 | N | 41.3 | Very low | 38.5 | Very low | 170 Ų | 170 | 153.7 Ų | 153.7 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 129.4 | 173.5 | -111.4 | -22.5 | 0 | 0 | 0 | 109.5 | | |
| 204 | L | 42.4 | Very low | 39 | Very low | 141 Ų | 141 | 153.4 Ų | 153.4 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 123.6 | 178.1 | -65.3 | 169.1 | 0 | 0 | 0 | 108.8 | K202 | K202-L204 PolarHBondContact O-N 3.26Š|
| 205 | M | 35.2 | Very low | 39.2 | Very low | 157 Ų | 157 | 150.9 Ų | 150.9 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | trans | -111.1 | 99.2 | 151.3 | -74.3 | -57.3 | -56.7 | 0 | 0 | 106.6 | | |
| 206 | C | 36.8 | Very low | 39.3 | Very low | 100 Ų | 100 | 149 Ų | 149 | 68% | 0.676 | 80% | 0.798 | S | S | * | * | | | trans | -95.2 | 105.2 | 168.3 | -61.3 | 0 | 0 | 0 | 0 | 107 | | |
| 207 | E | 39.6 | Very low | 39.2 | Very low | 172 Ų | 172 | 152 Ų | 152 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -99.7 | 140 | 161.5 | -71 | -179.7 | -170.3 | 0 | 0 | 107.9 | | |
| 208 | L | 44.9 | Very low | 38.8 | Very low | 138 Ų | 138 | 153.8 Ų | 153.8 | 72% | 0.723 | 80% | 0.796 | S | S | * | * | | | trans | -95 | 136.7 | -164.9 | -67.4 | 162.5 | 0 | 0 | 0 | 110.8 | | |
| 209 | D | 40.1 | Very low | 38.5 | Very low | 173 Ų | 173 | 154.4 Ų | 154.4 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | | | trans | -81.1 | 112.3 | 166.1 | -73.3 | -46.4 | 0 | 0 | 0 | 109.9 | | |
| 210 | E | 44.3 | Very low | 38.4 | Very low | 157 Ų | 157 | 155 Ų | 155 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | -133 | 78 | 175.5 | -85.1 | 159.4 | -176.1 | 0 | 0 | 111.8 | | |
| 211 | D | 37.9 | Very low | 38.1 | Very low | 173 Ų | 173 | 154.5 Ų | 154.5 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | | | trans | -124.6 | 92.6 | 157.7 | -105.5 | -35.2 | 0 | 0 | 0 | 109.9 | | |
| 212 | C | 37.9 | Very low | 37.8 | Very low | 91 Ų | 91 | 155.4 Ų | 155.4 | 62% | 0.615 | 79% | 0.785 | S | S | * | * | | | trans | -101.2 | 93.2 | 175.2 | 63.2 | 0 | 0 | 0 | 0 | 110.8 | K214 | C212-K214 PolarHBondContact O-N 3.4Š|
| 213 | E | 32.8 | Very low | 37 | Very low | 186 Ų | 186 | 151.5 Ų | 151.5 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | | | trans | -71.9 | 91.3 | 176 | -162.6 | 172.3 | -152.8 | 0 | 0 | 110.8 | | |
| 214 | K | 38.6 | Very low | 36.8 | Very low | 184 Ų | 184 | 147 Ų | 147 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | | | trans | -77.1 | 120.4 | -178.8 | -71.7 | 167.5 | -178.2 | 161.9 | 0 | 111.3 | C212 | C212-K214 PolarHBondContact O-N 3.4Š|
| 215 | N | 35.9 | Very low | 36.2 | Very low | 150 Ų | 150 | 148.7 Ų | 148.7 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | | | trans | -131.3 | 59.2 | 174.1 | 62.1 | 6.7 | 0 | 0 | 0 | 114.1 | | |
| 216 | S | 33.9 | Very low | 36.3 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | | | trans | -137.8 | 131.3 | 161.8 | 64 | 0 | 0 | 0 | 0 | 114.3 | | |
| 217 | K | 37.4 | Very low | 36 | Very low | 181 Ų | 181 | 149 Ų | 149 | 79% | 0.787 | 77% | 0.77 | S | S | * | * | | | trans | -53.2 | 155 | -179.3 | -97.5 | 167.7 | 175.2 | 163 | 0 | 115.8 | | |
| 218 | R | 33.3 | Very low | 35.8 | Very low | 201 Ų | 201 | 146.2 Ų | 146.2 | 76% | 0.758 | 77% | 0.769 | S | S | * | * | | | trans | 93.4 | 121.9 | 135.4 | -87.7 | 179.2 | -176.7 | 161.6 | 0.6 | 120.9 | | |
| 219 | D | 32.2 | Very low | 35.4 | Very low | 124 Ų | 124 | 146.8 Ų | 146.8 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | | | | 98.2 | 119.5 | 123.8 | -65.5 | -15.1 | 0 | 0 | 0 | 121.5 | | |
| 220 | Y | 33 | Very low | 35.4 | Very low | 195 Ų | 195 | 144.9 Ų | 144.9 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | | | trans | 81.6 | 115.8 | 139 | -87.8 | -118.2 | 0 | 0 | 0 | 121.4 | | |
| 221 | L | 34.3 | Very low | 35.3 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | trans | 58.9 | 121.6 | 146.7 | -49 | 174.5 | 0 | 0 | 0 | 116.9 | | |
| 222 | S | 31.9 | Very low | 35.6 | Very low | 110 Ų | 110 | 144.6 Ų | 144.6 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | | | | -169.7 | 137.1 | 56.6 | -57.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 223 | S | 32.6 | Very low | 35.5 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | | 11.7 | 142.4 | 122.5 | -161.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 224 | S | 37.3 | Very low | 35.7 | Very low | 77 Ų | 77 | 140.8 Ų | 140.8 | 54% | 0.538 | 75% | 0.751 | S | S | . | * | | | cis | -170.7 | 171.4 | 2.5 | 30.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 225 | F | 30.2 | Very low | 35.6 | Very low | 176 Ų | 176 | 142 Ų | 142 | 77% | 0.772 | 76% | 0.757 | S | S | * | * | | | | -171.2 | 148.4 | 50.6 | -89.7 | -74.9 | 0 | 0 | 0 | 112.7 | | |
| 226 | L | 37.8 | Very low | 35.4 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | | | trans | 62.5 | 146.5 | 144.8 | -62.5 | 169.7 | 0 | 0 | 0 | 120.7 | | |
| 227 | C | 29.5 | Very low | 35.5 | Very low | 104 Ų | 104 | 144.1 Ų | 144.1 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | | | cis | -170.4 | 140.2 | -16.4 | -172.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 228 | S | 35.3 | Very low | 35.2 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | | | trans | 149.6 | 104.9 | 148.1 | 62.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 229 | D | 36.1 | Very low | 35.4 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | | | cis | 100.9 | 145 | 42.1 | -162.4 | 26.7 | 0 | 0 | 0 | 112.2 | | |
| 230 | D | 40 | Very low | 35.2 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | | | trans | 70.1 | 96.1 | -176.2 | -114.5 | 15.1 | 0 | 0 | 0 | 119.5 | | |
| 231 | D | 43.6 | Very low | 35.2 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 58% | 0.583 | 75% | 0.753 | S | S | * | * | | | | 49.9 | 143.7 | 109.3 | -80.1 | 16.4 | 0 | 0 | 0 | 120.2 | | |
| 232 | R | 43.3 | Very low | 35.3 | Very low | 215 Ų | 215 | 134.5 Ų | 134.5 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | | | cis | 167 | 148.5 | 14.9 | 164.4 | -173.5 | -61.1 | -129.8 | 5.1 | 102.5 | | |
| 233 | A | 37.3 | Very low | 35.3 | Very low | 92 Ų | 92 | 135.2 Ų | 135.2 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | | | cis | -138.5 | 155.5 | 22.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 234 | S | 36.1 | Very low | 35.6 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | trans | -81.4 | 156.5 | 168 | 50.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 235 | K | 36.5 | Very low | 35.6 | Very low | 210 Ų | 210 | 140.8 Ų | 140.8 | 91% | 0.913 | 78% | 0.775 | S | S | * | * | | | trans | -162 | 100.4 | 139.4 | -111.6 | 165.3 | -172.2 | 177.9 | 0 | 112.1 | | |
| 236 | N | 32.1 | Very low | 36.2 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -83.6 | 142.9 | 163.9 | -66.6 | -29.2 | 0 | 0 | 0 | 110 | | |
| 237 | I | 34.7 | Very low | 35.8 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | | | trans | -170.5 | 108.7 | 139.2 | 32.8 | 171.1 | 0 | 0 | 0 | 106.2 | | |
| 238 | S | 32.9 | Very low | 36.1 | Very low | 94 Ų | 94 | 137 Ų | 137 | 66% | 0.657 | 78% | 0.775 | S | S | * | * | | | | 90.7 | 113.5 | 67.3 | 73.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 239 | M | 37.3 | Very low | 35.9 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | | | trans | 67.2 | 117.3 | 135.2 | -75.9 | 154.7 | 77 | 0 | 0 | 121.6 | | |
| 240 | N | 27.7 | Very low | 35.8 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | trans | 96.2 | 122.3 | 132.2 | -57.4 | -9.1 | 0 | 0 | 0 | 121.4 | | |
| 241 | S | 33.4 | Very low | 35.4 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | trans | 74 | 125.9 | 135.6 | -63.2 | 0 | 0 | 0 | 0 | 122.6 | | |
| 242 | D | 35.3 | Very low | 34.8 | Very low | 153 Ų | 153 | 140.5 Ų | 140.5 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | 33 | 121.3 | 141.2 | -56.5 | -23.9 | 0 | 0 | 0 | 120.9 | | |
| 243 | S | 33.1 | Very low | 34.2 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | | | | -169.3 | 161.6 | 123.4 | 32.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 244 | S | 37.9 | Very low | 34.5 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | -66.5 | 165.7 | -175.9 | 48.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 245 | F | 37.6 | Very low | 34.4 | Very low | 199 Ų | 199 | 137.1 Ų | 137.1 | 87% | 0.873 | 77% | 0.77 | S | S | * | * | | | trans | -35.5 | 149 | 164.4 | -65.8 | -87.3 | 0 | 0 | 0 | 116.2 | | |
| 246 | P | 43.7 | Very low | 34 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | | | | -125.3 | 170.3 | 97.7 | 37.3 | -31.7 | 0 | 0 | 0 | 111.6 | | |
| 247 | G | 28.9 | Very low | 34 | Very low | 58 Ų | 58 | 132.6 Ų | 132.6 | 60% | 0.598 | 76% | 0.758 | S | S | * | * | | | cis | 122.5 | 106.9 | 6.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 248 | I | 35.8 | Very low | 33.7 | Very low | 176 Ų | 176 | 133.3 Ų | 133.3 | 90% | 0.903 | 76% | 0.758 | S | S | * | * | | | trans | 62.6 | 150.1 | 172.1 | 72.4 | 166.9 | 0 | 0 | 0 | 116.3 | | |
| 249 | S | 30.7 | Very low | 34.3 | Very low | 87 Ų | 87 | 133.4 Ų | 133.4 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | | | cis | -170 | 147.3 | 36.1 | 51.1 | 0 | 0 | 0 | 0 | 115 | | |
| 250 | I | 33.9 | Very low | 34 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | | | trans | 66.2 | 131.3 | 139.3 | -61 | 165.7 | 0 | 0 | 0 | 116.5 | | |
| 251 | M | 32.6 | Very low | 34.1 | Very low | 173 Ų | 173 | 134.8 Ų | 134.8 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | | | | -158.5 | 138.9 | 60.5 | -151.4 | 147 | 60.2 | 0 | 0 | 115.4 | | |
| 252 | E | 30.8 | Very low | 34 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | | | trans | -37.9 | 167.9 | 146.1 | -77.9 | 175.8 | 118.3 | 0 | 0 | 115.4 | | |
| 253 | S | 30.3 | Very low | 33.8 | Very low | 96 Ų | 96 | 136 Ų | 136 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | | | cis | -177.4 | -157.7 | -9.6 | 59.9 | 0 | 0 | 0 | 0 | 106.3 | | |
| 254 | P | 43.7 | Very low | 33.9 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | | | cis | -132 | -157.7 | -26.7 | 28.3 | -3 | 0 | 0 | 0 | 112.7 | | |
| 255 | L | 33.7 | Very low | 33.7 | Very low | 144 Ų | 144 | 140.7 Ų | 140.7 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | | | trans | 75.1 | 149 | 169.4 | -81.6 | 83.6 | 0 | 0 | 0 | 118.7 | | |
| 256 | E | 28.6 | Very low | 33.6 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | | | cis | -157.7 | -175.4 | -30.1 | -157.1 | 155 | -175.7 | 0 | 0 | 108.4 | | |
| 257 | S | 31.4 | Very low | 33.2 | Very low | 99 Ų | 99 | 141.6 Ų | 141.6 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | | | trans | -121.9 | 164.8 | -157.3 | 64.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 258 | Q | 29.1 | Very low | 33.2 | Very low | 176 Ų | 176 | 148 Ų | 148 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | trans | 86.5 | 159.5 | 151.4 | -74 | -84.1 | -61.2 | 0 | 0 | 119.2 | | |
| 259 | P | 44.9 | Very low | 33 | Very low | 95 Ų | 95 | 144.9 Ų | 144.9 | 62% | 0.617 | 78% | 0.776 | S | S | * | * | | | trans | -114.5 | -179.7 | -142.2 | 44.2 | -38.4 | 0 | 0 | 0 | 115.2 | | |
| 260 | L | 30.3 | Very low | 32.9 | Very low | 176 Ų | 176 | 145.7 Ų | 145.7 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | | | trans | -140.7 | 135.7 | 159.6 | -86.5 | 174.8 | 0 | 0 | 0 | 112.8 | | |
| 261 | D | 29.9 | Very low | 32.8 | Very low | 146 Ų | 146 | 147.8 Ų | 147.8 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | | | trans | -74.4 | 164.4 | 173.8 | -64.6 | -65.6 | 0 | 0 | 0 | 113.4 | | |
| 262 | S | 32.2 | Very low | 32.6 | Very low | 129 Ų | 129 | 148.1 Ų | 148.1 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | | | trans | -155.6 | 99.8 | 150.5 | -80.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 263 | D | 30.6 | Very low | 32.6 | Very low | 157 Ų | 157 | 147 Ų | 147 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | | | trans | -77.4 | 132.3 | 173.5 | -107.1 | -36.6 | 0 | 0 | 0 | 113 | | |
| 264 | R | 36.1 | Very low | 32.8 | Very low | 234 Ų | 234 | 148.1 Ų | 148.1 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | | | trans | 177.1 | 93 | 149.3 | -106.2 | 177.6 | 175.4 | -164 | -1.5 | 108.5 | | |
| 265 | S | 34.1 | Very low | 32 | Very low | 94 Ų | 94 | 148.8 Ų | 148.8 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | | | | 60.3 | 116.3 | 75.4 | 86.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 266 | I | 34.4 | Very low | 32 | Very low | 149 Ų | 149 | 149 Ų | 149 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | | | | 176.3 | 128 | 115.3 | -87.4 | 157 | 0 | 0 | 0 | 111.3 | | |
| 267 | K | 34.8 | Very low | 32.1 | Very low | 192 Ų | 192 | 149.7 Ų | 149.7 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | 65.2 | 100.4 | 158.6 | -78.3 | 172.6 | 177.8 | -176.6 | 0 | 121.1 | | |
| 268 | E | 30.1 | Very low | 32 | Very low | 194 Ų | 194 | 152 Ų | 152 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | | | trans | -63.9 | 153.3 | 132.1 | -60.3 | 171.5 | 126.3 | 0 | 0 | 111.8 | | |
| 269 | S | 30.6 | Very low | 32.5 | Very low | 110 Ų | 110 | 148.6 Ų | 148.6 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -167 | 134.9 | 156.4 | 57 | 0 | 0 | 0 | 0 | 108.5 | | |
| 270 | S | 29.2 | Very low | 31.6 | Very low | 103 Ų | 103 | 151.2 Ų | 151.2 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | | | cis | -165.7 | 141.5 | -16.7 | 36.2 | 0 | 0 | 0 | 0 | 106.6 | | |
| 271 | F | 30.6 | Very low | 31.7 | Very low | 195 Ų | 195 | 150.4 Ų | 150.4 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | | | trans | -72.7 | 136.9 | 165.9 | -109.6 | -103.4 | 0 | 0 | 0 | 108.9 | | |
| 272 | E | 28.9 | Very low | 31.6 | Very low | 181 Ų | 181 | 150 Ų | 150 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | | | trans | -138.1 | 97.6 | 161.3 | -158.5 | 97.8 | -134.7 | 0 | 0 | 107.6 | | |
| 273 | E | 31.4 | Very low | 31.5 | Very low | 147 Ų | 147 | 149.5 Ų | 149.5 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | | | trans | -87.5 | 120.1 | 173.3 | -178.3 | -176.5 | 157.8 | 0 | 0 | 108 | N275 | E273-N275 PolarHBondContact OE1-ND2 3.37Š|
| 274 | S | 33.7 | Very low | 31.7 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | -111.6 | 121.5 | 173.7 | 54.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 275 | N | 28 | Very low | 31 | Very low | 115 Ų | 115 | 144 Ų | 144 | 62% | 0.615 | 78% | 0.779 | S | S | * | * | | | trans | -103 | 149.3 | -178 | -95.1 | -72.6 | 0 | 0 | 0 | 110.4 | E273 | E273-N275 PolarHBondContact OE1-ND2 3.37Š|
| 276 | I | 32.5 | Very low | 30.7 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | | | trans | 73 | 108.9 | 159.5 | -53.6 | 147.8 | 0 | 0 | 0 | 115.8 | | |
| 277 | E | 32.4 | Very low | 30.5 | Very low | 184 Ų | 184 | 142.7 Ų | 142.7 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | | | | -174.6 | 139.1 | 98.9 | -83.8 | -169.4 | 166.6 | 0 | 0 | 111 | | |
| 278 | D | 28.7 | Very low | 30 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | | | trans | -86.3 | 139.8 | 171.5 | 177.7 | 22.4 | 0 | 0 | 0 | 108.9 | L280 | D278-L280 PolarHBondContact OD1-N 2.89Š|
| 279 | P | 38.5 | Very low | 29.9 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | | | | -147.7 | 136.3 | 120.2 | 34.2 | -17.2 | 0 | 0 | 0 | 116.9 | | |
| 280 | L | 27.1 | Very low | 29.7 | Very low | 151 Ų | 151 | 140.2 Ų | 140.2 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | | | trans | 69.3 | 116.2 | 132 | -64.5 | 172.7 | 0 | 0 | 0 | 120.5 | D278 V282 | D278-L280 PolarHBondContact OD1-N 2.89Å; L280-V282 PolarHBondContact O-N 2.7Å |
| 281 | I | 32.7 | Very low | 29.5 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | | | trans | -32.2 | 124.4 | 152 | -59.1 | 162.3 | 0 | 0 | 0 | 113.8 | | |
| 282 | V | 26.8 | Very low | 30.2 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 83% | 0.83 | 75% | 0.745 | S | S | * | * | | | trans | -140.3 | 111 | 148.2 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | L280 | L280-V282 PolarHBondContact O-N 2.7Š|
| 283 | T | 30.4 | Very low | 30.3 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 140.6 | 162.5 | 35.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 284 | P | 34 | Very low | 30.1 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 123.3 | 172 | 30.7 | -31.3 | 0 | 0 | 0 | 112.2 | | |
| 285 | D | 22.9 | Very low | 29.9 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 169.2 | 162.4 | -149 | 15.9 | 0 | 0 | 0 | 110.5 | | |
| 286 | C | 26.2 | Very low | 29.9 | Very low | 75 Ų | 75 | 135.6 Ų | 135.6 | 51% | 0.507 | 75% | 0.751 | S | S | . | * | | | cis | -173.3 | -177.7 | 19.3 | -159.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 287 | Q | 30.1 | Very low | 29.8 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 65% | 0.654 | 75% | 0.754 | S | S | * | * | | | trans | 76.1 | 143.6 | 154.5 | -66 | -44.4 | -32.4 | 0 | 0 | 119.7 | | |
| 288 | E | 25 | Very low | 30.6 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 62% | 0.617 | 75% | 0.75 | S | S | * | * | | | cis | -157 | 135.9 | -5.2 | -172.2 | 164.4 | -172.6 | 0 | 0 | 114.4 | | |
| 289 | K | 27.9 | Very low | 30.5 | Very low | 162 Ų | 162 | 130.1 Ų | 130.1 | 70% | 0.704 | 75% | 0.749 | S | S | * | * | | | trans | 29.4 | 138.2 | 152.1 | -57.6 | 163.3 | -162.3 | 157.3 | 0 | 124 | | |
| 290 | T | 25.6 | Very low | 30.1 | Very low | 151 Ų | 151 | 131 Ų | 131 | 93% | 0.926 | 75% | 0.752 | S | S | * | * | | | | -151.8 | 162.5 | 111.4 | 5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 291 | S | 25.5 | Very low | 30.4 | Very low | 106 Ų | 106 | 131 Ų | 131 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | | | trans | -141.4 | -169 | -165.3 | 69.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 292 | P | 45.2 | Very low | 30.2 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | | | cis | -146.1 | 174 | -4.4 | 39.8 | -19.5 | 0 | 0 | 0 | 118.9 | | |
| 293 | K | 31.9 | Very low | 30.5 | Very low | 201 Ų | 201 | 128.4 Ų | 128.4 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | | | trans | 74.8 | 140.3 | 137 | -87.1 | 174.6 | 177.9 | -178.2 | 0 | 125.5 | | |
| 294 | G | 26.1 | Very low | 30.6 | Very low | 73 Ų | 73 | 130 Ų | 130 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | | | trans | 148.3 | 64 | 159.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 295 | V | 30.1 | Very low | 30.7 | Very low | 114 Ų | 114 | 132 Ų | 132 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | | | | 81.4 | 110.3 | 83.4 | 179.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 296 | E | 28.5 | Very low | 31.2 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | | | trans | 71 | 103.3 | 148.7 | -71.6 | 172.3 | 167.5 | 0 | 0 | 125.3 | | |
| 297 | N | 29.9 | Very low | 31.7 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | | 69.3 | 157.9 | 101 | -79.2 | -12.4 | 0 | 0 | 0 | 123.7 | | |
| 298 | P | 49.8 | Very low | 31.8 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | | | trans | -129.8 | -179.8 | -135.9 | 45.1 | -31.9 | 0 | 0 | 0 | 117.5 | | |
| 299 | A | 25.6 | Very low | 32.2 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | trans | -152.7 | 149.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 300 | V | 31.4 | Very low | 32.6 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | cis | -160.2 | 159.7 | 1.6 | 117.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 301 | Q | 31.9 | Very low | 33.1 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 72% | 0.715 | 77% | 0.768 | S | S | * | * | | | trans | 13.1 | 149.9 | 157 | -60 | 172.2 | -88.3 | 0 | 0 | 120.3 | | |
| 302 | E | 28.4 | Very low | 33.9 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | cis | -170.4 | -177.9 | 3.4 | -121.4 | -173 | -96.6 | 0 | 0 | 107.8 | | |
| 303 | S | 33.7 | Very low | 33.5 | Very low | 89 Ų | 89 | 141 Ų | 141 | 62% | 0.622 | 78% | 0.784 | S | S | * | * | | | cis | -146.9 | 177.2 | -2.9 | -153.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 304 | N | 32 | Very low | 33.6 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | | | trans | -122.7 | 138 | 176.4 | -81.4 | -76.2 | 0 | 0 | 0 | 112.1 | | |
| 305 | Q | 37.1 | Very low | 34.2 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | -163.9 | 98.7 | 152.3 | -120.4 | -176.5 | 81.3 | 0 | 0 | 113.9 | | |
| 306 | K | 33.5 | Very low | 34.7 | Very low | 186 Ų | 186 | 145.2 Ų | 145.2 | 81% | 0.809 | 79% | 0.789 | S | S | * | * | | | | 159.3 | 142.2 | 111.2 | -87 | 173.2 | -179 | 177.8 | 0 | 113.2 | | |
| 307 | M | 36.2 | Very low | 35.2 | Very low | 181 Ų | 181 | 143.9 Ų | 143.9 | 89% | 0.892 | 79% | 0.793 | S | S | * | * | | | trans | -65.8 | 138.5 | 172.8 | -66.3 | 132 | 57.8 | 0 | 0 | 112.5 | | |
| 308 | L | 32.8 | Very low | 35.8 | Very low | 176 Ų | 176 | 144.8 Ų | 144.8 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | | | trans | -166.7 | 137.6 | 135.2 | -108.6 | 139.5 | 0 | 0 | 0 | 108.9 | | |
| 309 | G | 33.8 | Very low | 35.4 | Very low | 64 Ų | 64 | 143.3 Ų | 143.3 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 151.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 310 | P | 35.7 | Very low | 36.4 | Very low | 129 Ų | 129 | 144.2 Ų | 144.2 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 134.5 | -179.5 | 30.8 | -32.9 | 0 | 0 | 0 | 111.7 | | |
| 311 | P | 36.4 | Very low | 37.6 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 162.3 | 171.9 | 33.9 | -34.6 | 0 | 0 | 0 | 112.3 | E313 | P311-E313 PolarHBondContact O-N 3.09Š|
| 312 | L | 42.7 | Very low | 38.8 | Very low | 175 Ų | 175 | 151.2 Ų | 151.2 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | | | trans | -70.2 | 111.6 | 175.5 | 174.1 | 70.2 | 0 | 0 | 0 | 111.7 | | |
| 313 | E | 35.3 | Very low | 40.2 | Very low | 174 Ų | 174 | 151.3 Ų | 151.3 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | | | trans | -140.5 | 117.1 | 164.9 | -90.2 | -166 | 149 | 0 | 0 | 114.2 | P311 | P311-E313 PolarHBondContact O-N 3.09Š|
| 314 | V | 34.8 | Very low | 41.3 | Very low | 113 Ų | 113 | 151.6 Ų | 151.6 | 69% | 0.685 | 82% | 0.82 | S | S | * | * | | | trans | 43.1 | 92.6 | 142.4 | -166.2 | 0 | 0 | 0 | 0 | 118.1 | K316 | V314-K316 HydrophobicContact CG1-CG 4.43Å; V314-K316 PolarHBondContact O-N 3.33Å; V314-K316 VanDerWaalsContact O-N 3.07Å |
| 315 | L | 38 | Very low | 42.9 | Very low | 178 Ų | 178 | 150.2 Ų | 150.2 | 93% | 0.932 | 82% | 0.817 | S | S | * | * | | | trans | -65.8 | 102.5 | 160 | -79.9 | 170.7 | 0 | 0 | 0 | 111.1 | T317 | L315-T317 PolarHBondContact O-N 3.02Š|
| 316 | K | 42 | Very low | 43.7 | Very low | 186 Ų | 186 | 146.3 Ų | 146.3 | 81% | 0.809 | 81% | 0.814 | S | S | * | * | | | trans | -73.4 | 118.1 | 165 | -70.5 | 175.3 | -179.1 | 169.3 | 0 | 109.2 | V314 L318 | V314-K316 HydrophobicContact CG1-CG 4.43Å; V314-K316 PolarHBondContact O-N 3.33Å; V314-K316 VanDerWaalsContact O-N 3.07Å; K316-L318 PolarHBondContact O-N 2.99Å |
| 317 | T | 38.3 | Very low | 44.6 | Very low | 139 Ų | 139 | 146.7 Ų | 146.7 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | | | trans | -67.8 | 110.7 | 176.6 | 40.4 | 0 | 0 | 0 | 0 | 110.9 | L315 A319 | L315-T317 PolarHBondContact O-N 3.02Å; T317-A319 PolarHBondContact O-N 3.49Å |
| 318 | L | 41.3 | Very low | 45.4 | Very low | 173 Ų | 173 | 146.6 Ų | 146.6 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | | | trans | -74.7 | 94.6 | 173.7 | -168.8 | 79.5 | 0 | 0 | 0 | 109.3 | K316 S320 | K316-L318 PolarHBondContact O-N 2.99Å; L318-S320 PolarHBondContact O-N 3.18Å; L318-S320 VanDerWaalsContact O-N 3.15Å |
| 319 | A | 42.9 | Very low | 45.9 | Very low | 89 Ų | 89 | 143.5 Ų | 143.5 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | | | trans | -63.2 | 114.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T317 K321 | T317-A319 PolarHBondContact O-N 3.49Å; A319-K321 PolarHBondContact O-N 3.19Å; A319-K321 VanDerWaalsContact O-N 3.09Å |
| 320 | S | 46.1 | Very low | 46.6 | Very low | 112 Ų | 112 | 147.9 Ų | 147.9 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | -63.5 | 109.7 | 175 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | L318 R322 | L318-S320 PolarHBondContact O-N 3.18Å; L318-S320 VanDerWaalsContact O-N 3.15Å; S320-R322 PolarHBondContact O-N 3.35Å |
| 321 | K | 55.8 | Low | 47 | Very low | 190 Ų | 190 | 149.4 Ų | 149.4 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | | | trans | -79.3 | 86.3 | -175.7 | -162 | 178.7 | -173.3 | -177.2 | 0 | 110 | A319 N323 | A319-K321 PolarHBondContact O-N 3.19Å; A319-K321 VanDerWaalsContact O-N 3.09Å; K321-N323 PolarHBondContact O-N 2.79Å |
| 322 | R | 58 | Low | 47.1 | Very low | 230 Ų | 230 | 148 Ų | 148 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | | | trans | -64.1 | 126.2 | 169.9 | -73.5 | -174.4 | 176.7 | 129.4 | -1.9 | 109.8 | S320 A324 | S320-R322 PolarHBondContact O-N 3.35Å; R322-A324 PolarHBondContact O-N 3.18Å; R322-A324 VanDerWaalsContact O-N 3.14Å |
| 323 | N | 57.6 | Low | 47 | Very low | 153 Ų | 153 | 148.6 Ų | 148.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -74.7 | 99.8 | 173.7 | -69.3 | -34.2 | 0 | 0 | 0 | 109.5 | K321 | K321-N323 PolarHBondContact O-N 2.79Š|
| 324 | A | 56.6 | Low | 47.2 | Very low | 96 Ų | 96 | 148.2 Ų | 148.2 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | | | trans | -89.5 | 116.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | R322 A326 | R322-A324 PolarHBondContact O-N 3.18Å; R322-A324 VanDerWaalsContact O-N 3.14Å; A324-A326 PolarHBondContact O-N 3.32Å |
| 325 | V | 65.4 | Low | 47.4 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 74% | 0.739 | 80% | 0.8 | S | S | * | * | | | trans | -87.4 | 106.8 | 172.5 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | F327 | V325-F327 HydrophobicContact CG1-CE2 4.41Š|
| 326 | A | 55.1 | Low | 47.7 | Very low | 89 Ų | 89 | 146 Ų | 146 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | trans | -96.8 | 116.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | A324 R328 | A324-A326 PolarHBondContact O-N 3.32Å; A326-R328 PolarHBondContact O-N 3.21Å |
| 327 | F | 52.8 | Low | 47.7 | Very low | 194 Ų | 194 | 142.5 Ų | 142.5 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | -73.7 | 114.5 | 172.1 | -70.7 | -85.1 | 0 | 0 | 0 | 110.3 | V325 S329 | V325-F327 HydrophobicContact CG1-CE2 4.41Å; F327-S329 PolarHBondContact O-N 3.31Å |
| 328 | R | 52 | Low | 48 | Very low | 178 Ų | 178 | 143 Ų | 143 | 67% | 0.672 | 79% | 0.788 | S | S | * | * | | | trans | -77 | 118.8 | 169.8 | -62.1 | -179.4 | 70.9 | -97.8 | 1.9 | 109 | A326 F330 | A326-R328 PolarHBondContact O-N 3.21Å; R328-F330 HydrophobicContact CB-CE2 4.34Å; R328-F330 WeakPolarHBondContact O-CD2 3.43Å; R328-F330 PolarHBondContact O-N 3.07Å |
| 329 | S | 43.1 | Very low | 47.8 | Very low | 111 Ų | 111 | 142 Ų | 142 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -69.3 | 102 | 172.6 | 48.2 | 0 | 0 | 0 | 0 | 110.5 | F327 N331 | F327-S329 PolarHBondContact O-N 3.31Å; S329-N331 VanDerWaalsContact C-N 3.33Å; S329-N331 PolarHBondContact O-N 3.22Å |
| 330 | F | 48.3 | Very low | 47.9 | Very low | 157 Ų | 157 | 143.9 Ų | 143.9 | 69% | 0.689 | 79% | 0.791 | S | S | * | * | | | trans | -76.7 | 83.2 | 173.7 | -81.7 | -88.1 | 0 | 0 | 0 | 110.8 | R328 | R328-F330 HydrophobicContact CB-CE2 4.34Å; R328-F330 WeakPolarHBondContact O-CD2 3.43Å; R328-F330 PolarHBondContact O-N 3.07Å |
| 331 | N | 43.9 | Very low | 47.6 | Very low | 161 Ų | 161 | 147.4 Ų | 147.4 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | | | trans | -127.6 | 48.1 | 163.2 | -86.5 | -40.5 | 0 | 0 | 0 | 110.6 | S329 | S329-N331 VanDerWaalsContact C-N 3.33Å; S329-N331 PolarHBondContact O-N 3.22Å |
| 332 | S | 38.9 | Very low | 47 | Very low | 87 Ų | 87 | 143.8 Ų | 143.8 | 61% | 0.608 | 79% | 0.792 | S | S | * | * | | | trans | -105.5 | 112.6 | 165.5 | 53.6 | 0 | 0 | 0 | 0 | 108.1 | I334 | S332-I334 PolarHBondContact O-N 3.41Š|
| 333 | H | 40.8 | Very low | 45.8 | Very low | 188 Ų | 188 | 138.6 Ų | 138.6 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | | | trans | -56 | 132 | 178.9 | -73 | -85.9 | 0 | 0 | 0 | 111 | N335 | H333-N335 VanDerWaalsContact C-N 3.32Å; H333-N335 PolarHBondContact O-N 3.38Å |
| 334 | I | 40.1 | Very low | 45.3 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | | | trans | -68.9 | 93.4 | 171.2 | -58.2 | 170.6 | 0 | 0 | 0 | 107.4 | S332 | S332-I334 PolarHBondContact O-N 3.41Š|
| 335 | N | 38.7 | Very low | 44.3 | Very low | 152 Ų | 152 | 144.9 Ų | 144.9 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | | | trans | -96.8 | 102.3 | 161.6 | -148.8 | 8 | 0 | 0 | 0 | 106.8 | H333 S337 | H333-N335 VanDerWaalsContact C-N 3.32Å; H333-N335 PolarHBondContact O-N 3.38Å; N335-S337 PolarHBondContact O-N 3.14Å; N335-S337 VanDerWaalsContact O-N 3.15Å |
| 336 | A | 44.6 | Very low | 43.1 | Very low | 93 Ų | 93 | 145.6 Ų | 145.6 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -72.2 | 106.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 337 | S | 42.2 | Very low | 42.5 | Very low | 112 Ų | 112 | 150.1 Ų | 150.1 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | | | trans | -123.9 | 111.9 | 167.3 | 60.4 | 0 | 0 | 0 | 0 | 110 | N335 | N335-S337 PolarHBondContact O-N 3.14Å; N335-S337 VanDerWaalsContact O-N 3.15Å |
| 338 | N | 42.9 | Very low | 41.9 | Very low | 150 Ų | 150 | 147.2 Ų | 147.2 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | | | trans | -65.5 | 158.9 | 174.8 | -87.6 | -20.4 | 0 | 0 | 0 | 112.4 | | |
| 339 | N | 38.8 | Very low | 41.2 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | | | trans | 76.2 | 89.5 | 160.3 | -51.1 | -30.1 | 0 | 0 | 0 | 118.2 | | |
| 340 | S | 44.3 | Very low | 41.3 | Very low | 129 Ų | 129 | 147.3 Ų | 147.3 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | | | | -169.9 | 154.6 | 115.4 | 23.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 341 | E | 39.6 | Very low | 40.9 | Very low | 186 Ų | 186 | 147 Ų | 147 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 170.2 | -169 | -103.6 | -174.2 | 120.5 | 0 | 0 | 115.5 | S343 | E341-S343 PolarHBondContact O-N 3.08Š|
| 342 | P | 43.9 | Very low | 40.7 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 119.5 | -164.1 | 30.4 | -35.7 | 0 | 0 | 0 | 114 | | |
| 343 | S | 32.5 | Very low | 41.1 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 129.6 | 169.4 | -166.5 | 0 | 0 | 0 | 0 | 111.5 | E341 | E341-S343 PolarHBondContact O-N 3.08Š|
| 344 | R | 46.2 | Very low | 41.1 | Very low | 220 Ų | 220 | 146.4 Ų | 146.4 | 83% | 0.83 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 170.2 | 169.3 | -43.7 | -157.2 | 86.8 | -163.7 | 6.7 | 109.7 | | |
| 345 | M | 36.2 | Very low | 41 | Very low | 162 Ų | 162 | 145 Ų | 145 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | | | trans | 83.6 | 138.2 | 178.5 | 100.4 | -165.3 | -84.6 | 0 | 0 | 114.2 | | |
| 346 | N | 40.3 | Very low | 40.9 | Very low | 136 Ų | 136 | 143.2 Ų | 143.2 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | | | cis | -148.3 | 142.3 | -5.6 | -103.3 | -13.4 | 0 | 0 | 0 | 110.5 | | |
| 347 | M | 42.3 | Very low | 40.7 | Very low | 184 Ų | 184 | 144.5 Ų | 144.5 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | | | trans | -88.1 | 104.6 | 158.1 | -91.4 | 172.3 | 49.6 | 0 | 0 | 108.4 | | |
| 348 | T | 40.1 | Very low | 40.5 | Very low | 133 Ų | 133 | 143.7 Ų | 143.7 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | | | trans | 168.7 | 103.5 | 147.8 | 44.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 349 | S | 37.5 | Very low | 40.2 | Very low | 120 Ų | 120 | 147.7 Ų | 147.7 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | | | trans | -146.4 | 88.4 | 150.9 | 60.5 | 0 | 0 | 0 | 0 | 107.1 | D351 | S349-D351 PolarHBondContact O-N 3.25Š|
| 350 | L | 45.4 | Very low | 40.2 | Very low | 171 Ų | 171 | 146 Ų | 146 | 90% | 0.895 | 82% | 0.82 | S | S | * | * | | | trans | -84.2 | 104.4 | 175.6 | -172.7 | 139.9 | 0 | 0 | 0 | 106.6 | | |
| 351 | D | 39.3 | Very low | 39.9 | Very low | 152 Ų | 152 | 143 Ų | 143 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | | | trans | -113.5 | 126.5 | 169.5 | -162.5 | 10.9 | 0 | 0 | 0 | 108.6 | S349 M353 | S349-D351 PolarHBondContact O-N 3.25Å; D351-M353 PolarHBondContact O-N 3.38Å |
| 352 | A | 40.6 | Very low | 39.9 | Very low | 84 Ų | 84 | 139.8 Ų | 139.8 | 69% | 0.694 | 81% | 0.808 | S | S | * | * | | | trans | -94.3 | 99 | -168.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | D354 | A352-D354 PolarHBondContact O-N 3.09Š|
| 353 | M | 47.6 | Very low | 39.7 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 85% | 0.852 | 81% | 0.814 | S | S | * | * | | | trans | -79.5 | 109.2 | 167.9 | -72.3 | -168.2 | -68 | 0 | 0 | 109.8 | D351 I355 | D351-M353 PolarHBondContact O-N 3.38Å; M353-I355 PolarHBondContact O-N 3.19Å |
| 354 | D | 39 | Very low | 40.5 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | | | trans | -68.7 | 119.7 | 176.2 | -151.8 | -0.8 | 0 | 0 | 0 | 109.9 | A352 | A352-D354 PolarHBondContact O-N 3.09Š|
| 355 | I | 38.4 | Very low | 40.4 | Very low | 137 Ų | 137 | 143.1 Ų | 143.1 | 70% | 0.703 | 82% | 0.816 | S | S | * | * | | | trans | -111.6 | 99.1 | -179.3 | -56.6 | 178.2 | 0 | 0 | 0 | 108.9 | M353 C357 | M353-I355 PolarHBondContact O-N 3.19Å; I355-C357 PolarHBondContact O-N 3.49Å |
| 356 | S | 37.7 | Very low | 40.7 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | -72.3 | 110.8 | 165.9 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | A358 | S356-A358 PolarHBondContact O-N 3.03Š|
| 357 | C | 38.9 | Very low | 41.2 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | | | trans | -80.8 | 100.1 | 175.1 | -65.7 | 0 | 0 | 0 | 0 | 110.8 | I355 | I355-C357 PolarHBondContact O-N 3.49Š|
| 358 | A | 38.4 | Very low | 41.3 | Very low | 95 Ų | 95 | 137.9 Ų | 137.9 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | -111.4 | 116.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | S356 | S356-A358 PolarHBondContact O-N 3.03Š|
| 359 | Y | 38.1 | Very low | 41.1 | Very low | 233 Ų | 233 | 137.7 Ų | 137.7 | 91% | 0.914 | 81% | 0.812 | S | S | * | * | | | trans | -81.7 | 123.1 | -174.6 | -176.5 | -89.8 | 0 | 0 | 0 | 111.3 | | |
| 360 | S | 37 | Very low | 41 | Very low | 114 Ų | 114 | 138 Ų | 138 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | | | trans | -159.3 | 132 | 154.4 | -164.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 361 | G | 38.4 | Very low | 40.7 | Very low | 68 Ų | 68 | 139.2 Ų | 139.2 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | | | trans | -83 | 125.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 362 | S | 40.7 | Very low | 40.8 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | -174.1 | 158.9 | 147.9 | 34.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 363 | Y | 39.5 | Very low | 40.4 | Very low | 219 Ų | 219 | 149.2 Ų | 149.2 | 86% | 0.859 | 83% | 0.825 | S | S | * | * | | | trans | -55.3 | 142.9 | -171.4 | -67.6 | -95.6 | 0 | 0 | 0 | 114.3 | M365 | Y363-M365 PolarHBondContact O-N 3.02Š|
| 364 | P | 48.6 | Very low | 39.9 | Very low | 131 Ų | 131 | 152.6 Ų | 152.6 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | | | trans | -74.6 | 99.8 | 177.1 | 30.7 | -33.9 | 0 | 0 | 0 | 111.3 | | |
| 365 | M | 45.3 | Very low | 39.5 | Very low | 175 Ų | 175 | 149.8 Ų | 149.8 | 86% | 0.862 | 82% | 0.821 | S | S | * | * | | | trans | -71.4 | 133.5 | 162.2 | -87.2 | -67.8 | -166.5 | 0 | 0 | 110.2 | Y363 I367 | Y363-M365 PolarHBondContact O-N 3.02Å; M365-I367 PolarHBondContact O-N 3.1Å; M365-I367 VanDerWaalsContact O-N 3.15Å |
| 366 | A | 42.1 | Very low | 39.1 | Very low | 100 Ų | 100 | 148.7 Ų | 148.7 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | | | trans | -71.4 | 107.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 367 | I | 51.3 | Low | 38.9 | Very low | 164 Ų | 164 | 151.4 Ų | 151.4 | 84% | 0.841 | 83% | 0.827 | S | S | * | * | | | trans | -81.1 | 117.8 | 176.5 | -50.5 | 178.2 | 0 | 0 | 0 | 109.2 | M365 | M365-I367 PolarHBondContact O-N 3.1Å; M365-I367 VanDerWaalsContact O-N 3.15Å |
| 368 | T | 43.3 | Very low | 39.2 | Very low | 108 Ų | 108 | 150 Ų | 150 | 66% | 0.663 | 82% | 0.816 | S | S | * | * | | | trans | -84.6 | 141.8 | 171.4 | 48.7 | 0 | 0 | 0 | 0 | 110.8 | T370 | T368-T370 PolarHBondContact O-N 3.43Å; T368-T370 VanDerWaalsContact O-N 3.08Å |
| 369 | P | 36.3 | Very low | 38.9 | Very low | 129 Ų | 129 | 154.1 Ų | 154.1 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | | | trans | -76.6 | 102.2 | -179.5 | -3.5 | 19.5 | 0 | 0 | 0 | 110.3 | | |
| 370 | T | 36 | Very low | 39 | Very low | 128 Ų | 128 | 152.5 Ų | 152.5 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | | | trans | -72.9 | 132.6 | 172.9 | 50.7 | 0 | 0 | 0 | 0 | 111.1 | T368 K372 | T368-T370 PolarHBondContact O-N 3.43Å; T368-T370 VanDerWaalsContact O-N 3.08Å; T370-K372 PolarHBondContact O-N 3.09Å |
| 371 | Q | 39.1 | Very low | 39.1 | Very low | 195 Ų | 195 | 155.9 Ų | 155.9 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | | | trans | -58.6 | 121.6 | -175.5 | -69.7 | 175.5 | -25.5 | 0 | 0 | 113 | | |
| 372 | K | 39.8 | Very low | 39 | Very low | 215 Ų | 215 | 158 Ų | 158 | 94% | 0.935 | 82% | 0.822 | S | S | * | * | | | trans | -85 | 114.3 | 168.8 | -157.9 | 169.3 | -174 | 174.8 | 0 | 110.1 | T370 | T370-K372 PolarHBondContact O-N 3.09Š|
| 373 | R | 33.5 | Very low | 38.7 | Very low | 232 Ų | 232 | 157.8 Ų | 157.8 | 88% | 0.875 | 82% | 0.818 | S | S | * | * | | | trans | -87 | 131.3 | -170.5 | -177.1 | -171.4 | -171.8 | -160 | 5.2 | 112.8 | | |
| 374 | R | 36.5 | Very low | 39.1 | Very low | 243 Ų | 243 | 154.3 Ų | 154.3 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | | | trans | 163.2 | 144 | 155.8 | -90.7 | 159.9 | -160.7 | -152.9 | 6.7 | 107.4 | | |
| 375 | S | 31.6 | Very low | 39 | Very low | 108 Ų | 108 | 155.7 Ų | 155.7 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | | | cis | -164.5 | 142.2 | -3.7 | 46.5 | 0 | 0 | 0 | 0 | 112 | | |
| 376 | C | 28.4 | Very low | 38.7 | Very low | 114 Ų | 114 | 153.9 Ų | 153.9 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | | | trans | 43.5 | 112.4 | 150.1 | -143.5 | 0 | 0 | 0 | 0 | 122.3 | | |
| 377 | M | 34.4 | Very low | 39.1 | Very low | 171 Ų | 171 | 159.4 Ų | 159.4 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | | | | -177.1 | 156.3 | 100.3 | -91.3 | -59.9 | -83.4 | 0 | 0 | 110.9 | | |
| 378 | P | 44.8 | Very low | 38.7 | Very low | 91 Ų | 91 | 156.7 Ų | 156.7 | 59% | 0.591 | 80% | 0.803 | S | S | * | * | | | trans | -109.5 | 132 | -173.5 | 36.9 | -27.1 | 0 | 0 | 0 | 114.1 | | |
| 379 | H | 32.7 | Very low | 39 | Very low | 181 Ų | 181 | 154.8 Ų | 154.8 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | | | trans | 173.9 | 115.5 | 140.2 | -104.9 | 73.3 | 0 | 0 | 0 | 110.7 | | |
| 380 | Q | 40.6 | Very low | 39.6 | Very low | 199 Ų | 199 | 154.4 Ų | 154.4 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | | | | 174.5 | 161.5 | 115.5 | -92.4 | -174.2 | 64.9 | 0 | 0 | 111.1 | | |
| 381 | Q | 37.6 | Very low | 40.4 | Very low | 185 Ų | 185 | 153.6 Ų | 153.6 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | -93 | 152.1 | -156.9 | -166.8 | 167.9 | -4.6 | 0 | 0 | 112.9 | | |
| 382 | T | 36.1 | Very low | 40.9 | Very low | 112 Ų | 112 | 154.4 Ų | 154.4 | 69% | 0.687 | 79% | 0.793 | S | S | * | * | | | trans | -57.5 | 158.9 | -176.1 | -1.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 383 | P | 35.1 | Very low | 41.5 | Very low | 113 Ų | 113 | 154.8 Ų | 154.8 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | | -124.8 | 139 | 116.7 | 1.8 | 18.5 | 0 | 0 | 0 | 113.2 | | |
| 384 | N | 48.1 | Very low | 42.5 | Very low | 146 Ų | 146 | 149.4 Ų | 149.4 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | | | trans | -65.6 | 131.5 | 171.8 | -70.8 | -61.6 | 0 | 0 | 0 | 111 | | |
| 385 | Q | 46.6 | Very low | 43.5 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | | | trans | -127 | 95.8 | 165.2 | -74.2 | -68.3 | -0.8 | 0 | 0 | 110.6 | | |
| 386 | I | 39 | Very low | 44.7 | Very low | 137 Ų | 137 | 147.6 Ų | 147.6 | 70% | 0.703 | 78% | 0.78 | S | S | * | * | | | trans | 36.2 | 109.5 | 140 | -53.5 | 173.7 | 0 | 0 | 0 | 116.8 | S388 | I386-S388 PolarHBondContact O-N 3.31Š|
| 387 | K | 49.3 | Very low | 45.9 | Very low | 215 Ų | 215 | 147.5 Ų | 147.5 | 94% | 0.935 | 78% | 0.78 | S | S | * | * | | | trans | -71.2 | 87.1 | 166.9 | -67.6 | 175.5 | 179.1 | 173.6 | 0 | 111.2 | G389 | K387-G389 PolarHBondContact O-N 2.63Š|
| 388 | S | 43.7 | Very low | 47.1 | Very low | 107 Ų | 107 | 145.8 Ų | 145.8 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -79.9 | 88.3 | 165.6 | 43.2 | 0 | 0 | 0 | 0 | 110.5 | I386 T390 | I386-S388 PolarHBondContact O-N 3.31Å; S388-T390 PolarHBondContact O-N 2.73Å |
| 389 | G | 49.8 | Very low | 47.4 | Very low | 69 Ų | 69 | 152.5 Ų | 152.5 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | | | trans | -65.9 | 125.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | K387 | K387-G389 PolarHBondContact O-N 2.63Š|
| 390 | T | 49.2 | Very low | 48.5 | Very low | 120 Ų | 120 | 155.7 Ų | 155.7 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | | | trans | -67.4 | 130.8 | 173.3 | 49.8 | 0 | 0 | 0 | 0 | 110.1 | S388 Y392 | S388-T390 PolarHBondContact O-N 2.73Å; T390-Y392 VanDerWaalsContact C-N 3.25Å; T390-Y392 PolarHBondContact O-N 3.09Å |
| 391 | P | 52.8 | Low | 49.1 | Very low | 111 Ų | 111 | 149.1 Ų | 149.1 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -76 | -6.7 | -168.9 | 27.4 | -33.8 | 0 | 0 | 0 | 114.8 | | |
| 392 | Y | 49.2 | Very low | 49.9 | Very low | 212 Ų | 212 | 147.2 Ų | 147.2 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | | | trans | -124.5 | 80.9 | -177.3 | -61 | -69.6 | 0 | 0 | 0 | 111.5 | T390 | T390-Y392 VanDerWaalsContact C-N 3.25Å; T390-Y392 PolarHBondContact O-N 3.09Å |
| 393 | R | 52.2 | Low | 50.6 | Low | 223 Ų | 223 | 145.4 Ų | 145.4 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 118.2 | 161.1 | -166.9 | 173.3 | -164.1 | 147.5 | 6.1 | 107.6 | | |
| 394 | T | 56 | Low | 51.3 | Low | 119 Ų | 119 | 144 Ų | 144 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -52 | 135.6 | 172.9 | 44.5 | 0 | 0 | 0 | 0 | 110 | K396 | T394-K396 PolarHBondContact O-N 3.11Š|
| 395 | P | 56.5 | Low | 51.9 | Low | 125 Ų | 125 | 143.8 Ų | 143.8 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -56 | 135.5 | 174.7 | 24 | -32.6 | 0 | 0 | 0 | 108.6 | S397 | P395-S397 PolarHBondContact O-N 3.14Š|
| 396 | K | 57.7 | Low | 52.4 | Low | 188 Ų | 188 | 142.4 Ų | 142.4 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 129.3 | 179.9 | -66.2 | 177.1 | -178.4 | 171.9 | 0 | 107.9 | T394 V398 | T394-K396 PolarHBondContact O-N 3.11Å; K396-V398 PolarHBondContact O-N 2.65Å |
| 397 | S | 53.2 | Low | 53.2 | Low | 112 Ų | 112 | 142.9 Ų | 142.9 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | | | trans | -49.2 | 115 | 169.5 | 53.7 | 0 | 0 | 0 | 0 | 108.4 | P395 R399 | P395-S397 PolarHBondContact O-N 3.14Å; S397-R399 PolarHBondContact O-N 3.2Å; S397-R399 VanDerWaalsContact O-N 3.11Å |
| 398 | V | 58.1 | Low | 53.7 | Low | 136 Ų | 136 | 135 Ų | 135 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | | | trans | -55.7 | 122.7 | 178 | 174.4 | 0 | 0 | 0 | 0 | 106.8 | K396 R400 | K396-V398 PolarHBondContact O-N 2.65Å; V398-R400 PolarHBondContact O-N 2.8Å; V398-R400 VanDerWaalsContact O-N 3.08Å |
| 399 | R | 51.8 | Low | 54.5 | Low | 232 Ų | 232 | 136.3 Ų | 136.3 | 88% | 0.875 | 75% | 0.745 | S | S | * | * | | | trans | -54.2 | 120.5 | 170.4 | -70.1 | 177.5 | 173.8 | 176.8 | -4.4 | 105.9 | S397 G401 | S397-R399 PolarHBondContact O-N 3.2Å; S397-R399 VanDerWaalsContact O-N 3.11Å; R399-G401 PolarHBondContact O-N 2.77Å |
| 400 | R | 55.9 | Low | 54.9 | Low | 247 Ų | 247 | 139.8 Ų | 139.8 | 93% | 0.932 | 75% | 0.746 | S | S | * | * | | | trans | -56.3 | 115.2 | 168.5 | -62.6 | -175.6 | -162.1 | -116.5 | 4.1 | 105.8 | V398 | V398-R400 PolarHBondContact O-N 2.8Å; V398-R400 VanDerWaalsContact O-N 3.08Å |
| 401 | G | 52.9 | Low | 55.3 | Low | 61 Ų | 61 | 142.8 Ų | 142.8 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 162.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | R399 A403 | R399-G401 PolarHBondContact O-N 2.77Å; G401-A403 PolarHBondContact O-N 3.35Å |
| 402 | V | 54.8 | Low | 55.8 | Low | 145 Ų | 145 | 140.8 Ų | 140.8 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 130.1 | 169.7 | 174.6 | 0 | 0 | 0 | 0 | 108.2 | P404 | V402-P404 WeakPolarHBondContact O-CD 3.48Š|
| 403 | A | 50.5 | Low | 56.5 | Low | 74 Ų | 74 | 134 Ų | 134 | 61% | 0.612 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -58 | 124.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | G401 V405 | G401-A403 PolarHBondContact O-N 3.35Å; A403-V405 PolarHBondContact O-N 2.85Å |
| 404 | P | 49.3 | Very low | 57.2 | Low | 84 Ų | 84 | 125.5 Ų | 125.5 | 55% | 0.545 | 71% | 0.71 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 130.9 | 172.8 | -21.8 | 29.5 | 0 | 0 | 0 | 109.4 | V402 R409 | V402-P404 WeakPolarHBondContact O-CD 3.48Å; P404-R409 PolarHBondContact O-NH1 3.18Å; P404-R409 PolarHBondContact O-NH2 3.02Å |
| 405 | V | 61.3 | Low | 57.3 | Low | 142 Ų | 142 | 125 Ų | 125 | 86% | 0.861 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -60.3 | 147.4 | 161.5 | 171.9 | 0 | 0 | 0 | 0 | 107.4 | A403 | A403-V405 PolarHBondContact O-N 2.85Š|
| 406 | D | 56.3 | Low | 57.6 | Low | 131 Ų | 131 | 128 Ų | 128 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 82.2 | 166 | 174.7 | -139.6 | -1.8 | 0 | 0 | 0 | 117.5 | R409 | D406-R409 PolarHBondContact O-NH1 2.83Š|
| 407 | D | 57.2 | Low | 57.8 | Low | 148 Ų | 148 | 124.7 Ų | 124.7 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -78 | 169.8 | -132.9 | -123.8 | -26.6 | 0 | 0 | 0 | 119.5 | R409 | D407-R409 PolarHBondContact O-N 3.03Š|
| 408 | G | 60.4 | Low | 58.3 | Low | 48 Ų | 48 | 120 Ų | 120 | 50% | 0.495 | 66% | 0.658 | S | S | . | * | | | trans | 87.2 | -23.3 | 147.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | I410 | G408-I410 VanDerWaalsContact C-N 3.33Å; G408-I410 PolarHBondContact O-N 3.49Å |
| 409 | R | 58.6 | Low | 58.6 | Low | 136 Ų | 136 | 116.6 Ų | 116.6 | 51% | 0.513 | 64% | 0.639 | S | S | . | * | | | trans | -75.6 | 72 | -174.5 | 57.1 | 178.3 | -172.8 | -66.1 | -18.2 | 114.9 | P404 D406 D407 L411 | P404-R409 PolarHBondContact O-NH1 3.18Å; P404-R409 PolarHBondContact O-NH2 3.02Å; D406-R409 PolarHBondContact O-NH1 2.83Å; D407-R409 PolarHBondContact O-N 3.03Å; R409-L411 PolarHBondContact O-N 3.21Å |
| 410 | I | 59.5 | Low | 59.3 | Low | 142 Ų | 142 | 107.9 Ų | 107.9 | 73% | 0.728 | 61% | 0.608 | S | S | * | * | | | trans | -73.2 | 94.5 | 174.9 | -59.9 | 174 | 0 | 0 | 0 | 109.7 | G408 G412 | G408-I410 VanDerWaalsContact C-N 3.33Å; G408-I410 PolarHBondContact O-N 3.49Å; I410-G412 PolarHBondContact O-N 2.96Å |
| 411 | L | 58.1 | Low | 59.6 | Low | 183 Ų | 183 | 99.8 Ų | 99.8 | 96% | 0.958 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 93.1 | 179.1 | -156.5 | 91.5 | 0 | 0 | 0 | 110.5 | R409 | R409-L411 PolarHBondContact O-N 3.21Š|
| 412 | G | 62.4 | Low | 59.9 | Low | 69 Ų | 69 | 102 Ų | 102 | 71% | 0.711 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 178.9 | -35.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | I410 | I410-G412 PolarHBondContact O-N 2.96Š|
| 413 | T | 63 | Low | 60.4 | Low | 68 Ų | 68 | 100.3 Ų | 100.3 | 42% | 0.417 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -88.8 | 124.8 | 172.5 | -56.1 | 0 | 0 | 0 | 0 | 109.1 | D415 L417 A418 | T413-D415 PolarHBondContact O-N 2.86Å; T413-L417 HydrophobicContact CG2-CB 4.01Å; T413-A418 HydrophobicContact CG2-CB 4.26Å |
| 414 | P | 67.8 | Low | 60.9 | Low | 46 Ų | 46 | 99.8 Ų | 99.8 | 30% | 0.299 | 57% | 0.567 | S | S | . | * | | | trans | -58.4 | 136.5 | 174.5 | -22.4 | 29.8 | 0 | 0 | 0 | 112.7 | Y416 L417 | P414-Y416 HydrophobicContact CB-CD1 3.86Å; P414-Y416 HydrophobicContact CB-CD2 4.24Å; P414-Y416 HydrophobicContact CB-CE1 3.32Å; P414-Y416 HydrophobicContact CB-CE2 3.74Å; P414-Y416 HydrophobicContact CB-CG 4.29Å; P414-Y416 WeakPolarHBondContact CB-OH 3.41Å; P414-Y416 HydrophobicContact CG-CE1 4.31Å; P414-Y416 HydrophobicContact CG-CE2 4.31Å; P414-Y416 PolarHBondContact O-N 2.95Å; P414-L417 HydrophobicContact CG-CD1 4.31Å; P414-L417 PolarHBondContact O-N 2.83Å |
| 415 | D | 57.1 | Low | 61.6 | Low | 108 Ų | 108 | 101.7 Ų | 101.7 | 58% | 0.578 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.4 | -27.8 | -173.6 | -54.4 | 2.4 | 0 | 0 | 0 | 114.6 | T413 L422 | T413-D415 PolarHBondContact O-N 2.86Å; D415-L422 HydrophobicContact CB-CD1 3.39Å; D415-L422 VanDerWaalsContact CG-CD1 3.42Å |
| 416 | Y | 63.7 | Low | 61.6 | Low | 187 Ų | 187 | 97.3 Ų | 97.3 | 73% | 0.733 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -10.3 | 178.2 | 54 | -100.7 | 0 | 0 | 0 | 114.8 | P414 | P414-Y416 HydrophobicContact CB-CD1 3.86Å; P414-Y416 HydrophobicContact CB-CD2 4.24Å; P414-Y416 HydrophobicContact CB-CE1 3.32Å; P414-Y416 HydrophobicContact CB-CE2 3.74Å; P414-Y416 HydrophobicContact CB-CG 4.29Å; P414-Y416 WeakPolarHBondContact CB-OH 3.41Å; P414-Y416 HydrophobicContact CG-CE1 4.31Å; P414-Y416 HydrophobicContact CG-CE2 4.31Å; P414-Y416 PolarHBondContact O-N 2.95Å |
| 417 | L | 62.9 | Low | 61.8 | Low | 120 Ų | 120 | 96.3 Ų | 96.3 | 63% | 0.628 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -20.2 | 177.5 | -72 | 178 | 0 | 0 | 0 | 113.7 | T413 P414 | T413-L417 HydrophobicContact CG2-CB 4.01Å; P414-L417 HydrophobicContact CG-CD1 4.31Å; P414-L417 PolarHBondContact O-N 2.83Å |
| 418 | A | 63.4 | Low | 62.4 | Low | 12 Ų | 12 | 94 Ų | 94 | 10% | 0.099 | 52% | 0.517 | C | S | . | . | | | trans | -157.9 | 64.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T413 E420 L421 | T413-A418 HydrophobicContact CG2-CB 4.26Å; A418-E420 VanDerWaalsContact C-OE2 3.27Å; A418-E420 WeakPolarHBondContact CA-OE2 3.42Å; A418-E420 PolarHBondContact O-N 3Å; A418-L421 HydrophobicContact CB-CD1 3.62Å; A418-L421 HydrophobicContact CB-CG 3.86Å; A418-L421 WeakPolarHBondContact O-CB 3.43Å; A418-L421 PolarHBondContact O-N 2.68Å |
| 419 | P | 63.7 | Low | 63.2 | Low | 66 Ų | 66 | 95 Ų | 95 | 43% | 0.429 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.2 | -30.5 | -179.2 | 24.6 | -35.1 | 0 | 0 | 0 | 112.9 | L421 L422 L423 | P419-L421 PolarHBondContact O-N 3.48Å; P419-L422 PolarHBondContact O-N 3.26Å; P419-L422 VanDerWaalsContact O-N 3.08Å; P419-L423 WeakPolarHBondContact O-CD1 3.29Å; P419-L423 PolarHBondContact O-N 3.32Å; P419-L423 VanDerWaalsContact O-N 3.14Å |
| 420 | E | 65.9 | Low | 64.2 | Low | 49 Ų | 49 | 91.5 Ų | 91.5 | 23% | 0.229 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -59 | -27.1 | 176.4 | 67.6 | -76 | 178 | 0 | 0 | 113.7 | A418 G424 R425 L429 | A418-E420 VanDerWaalsContact C-OE2 3.27Å; A418-E420 WeakPolarHBondContact CA-OE2 3.42Å; A418-E420 PolarHBondContact O-N 3Å; E420-G424 PolarHBondContact O-N 3.26Å; E420-R425 HydrophobicContact CB-CB 4.08Å; E420-R425 WeakPolarHBondContact O-CA 3Å; E420-R425 PolarHBondContact O-N 3.27Å; E420-L429 HydrophobicContact CG-CD1 4.1Å; E420-L429 HydrophobicContact CG-CG 4.22Å |
| 421 | L | 61.9 | Low | 65.1 | Low | 77 Ų | 77 | 94 Ų | 94 | 40% | 0.403 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.6 | -36.1 | 175.4 | -61.9 | 179.7 | 0 | 0 | 0 | 111.9 | A418 P419 G424 | A418-L421 HydrophobicContact CB-CD1 3.62Å; A418-L421 HydrophobicContact CB-CG 3.86Å; A418-L421 WeakPolarHBondContact O-CB 3.43Å; A418-L421 PolarHBondContact O-N 2.68Å; P419-L421 PolarHBondContact O-N 3.48Å; L421-G424 PolarHBondContact O-N 2.83Å |
| 422 | L | 60.6 | Low | 66.4 | Low | 106 Ų | 106 | 90 Ų | 90 | 56% | 0.555 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -73.2 | -32.4 | 176.5 | -69.2 | 157.9 | 0 | 0 | 0 | 112.2 | D415 P419 G424 | D415-L422 HydrophobicContact CB-CD1 3.39Å; D415-L422 VanDerWaalsContact CG-CD1 3.42Å; P419-L422 PolarHBondContact O-N 3.26Å; P419-L422 VanDerWaalsContact O-N 3.08Å; L422-G424 PolarHBondContact O-N 3.02Å |
| 423 | L | 65 | Low | 67.6 | Low | 110 Ų | 110 | 91.5 Ų | 91.5 | 58% | 0.576 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 2.3 | 175.5 | -81.9 | 81.1 | 0 | 0 | 0 | 113.2 | P419 R425 | P419-L423 WeakPolarHBondContact O-CD1 3.29Å; P419-L423 PolarHBondContact O-N 3.32Å; P419-L423 VanDerWaalsContact O-N 3.14Å; L423-R425 HydrophobicContact CB-CB 4.42Å; L423-R425 HydrophobicContact CB-CG 4Å; L423-R425 PolarHBondContact O-N 3.49Å |
| 424 | G | 61.5 | Low | 68.9 | Low | 64 Ų | 64 | 94.4 Ų | 94.4 | 66% | 0.66 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 12.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E420 L421 L422 A426 | E420-G424 PolarHBondContact O-N 3.26Å; L421-G424 PolarHBondContact O-N 2.83Å; L422-G424 PolarHBondContact O-N 3.02Å; G424-A426 PolarHBondContact O-N 3.06Å |
| 425 | R | 63 | Low | 69.9 | Low | 124 Ų | 124 | 95.5 Ų | 95.5 | 47% | 0.468 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 31.3 | -176.1 | -71.8 | -179.3 | 177.6 | -140 | 12.1 | 113.3 | E420 L423 H427 E428 | E420-R425 HydrophobicContact CB-CB 4.08Å; E420-R425 WeakPolarHBondContact O-CA 3Å; E420-R425 PolarHBondContact O-N 3.27Å; L423-R425 HydrophobicContact CB-CB 4.42Å; L423-R425 HydrophobicContact CB-CG 4Å; L423-R425 PolarHBondContact O-N 3.49Å; R425-H427 PolarHBondContact O-N 2.96Å; R425-E428 HydrophobicContact CB-CG 4.32Å; R425-E428 WeakPolarHBondContact CD-OE1 3.35Å; R425-E428 IonicContact CZ-OE1 3.62Å; R425-E428 IonicContact NE-OE1 3.86Å; R425-E428 IonicContact NH1-OE1 2.7Å; R425-E428 PolarHBondContact NH1-OE1 2.91Å; R425-E428 IonicContact NH1-OE2 3.98Å; R425-E428 PolarHBondContact O-N 3.18Å |
| 426 | A | 61.3 | Low | 71.3 | Confident | 50 Ų | 50 | 94.6 Ų | 94.6 | 41% | 0.413 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -52.8 | -23.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G424 E428 L429 K430 | G424-A426 PolarHBondContact O-N 3.06Å; A426-E428 VanDerWaalsContact C-N 3.28Å; A426-E428 PolarHBondContact O-N 2.77Å; A426-L429 PolarHBondContact O-N 3.42Å; A426-K430 PolarHBondContact O-N 3.01Å |
| 427 | H | 60.6 | Low | 72.4 | Confident | 110 Ų | 110 | 92.9 Ų | 92.9 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -22.6 | 172.6 | -113.8 | 77.9 | 0 | 0 | 0 | 115.5 | R425 R431 | R425-H427 PolarHBondContact O-N 2.96Å; H427-R431 WeakPolarHBondContact O-CG 3.45Å |
| 428 | E | 69.6 | Low | 73.6 | Confident | 99 Ų | 99 | 89.1 Ų | 89.1 | 46% | 0.463 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -76.6 | -39.8 | 176.7 | -68.8 | -179.6 | 177.9 | 0 | 0 | 110.9 | R425 A426 R431 H432 | R425-E428 HydrophobicContact CB-CG 4.32Å; R425-E428 WeakPolarHBondContact CD-OE1 3.35Å; R425-E428 IonicContact CZ-OE1 3.62Å; R425-E428 IonicContact NE-OE1 3.86Å; R425-E428 IonicContact NH1-OE1 2.7Å; R425-E428 PolarHBondContact NH1-OE1 2.91Å; R425-E428 IonicContact NH1-OE2 3.98Å; R425-E428 PolarHBondContact O-N 3.18Å; A426-E428 VanDerWaalsContact C-N 3.28Å; A426-E428 PolarHBondContact O-N 2.77Å; E428-R431 PolarHBondContact O-N 2.68Å; E428-R431 VanDerWaalsContact O-N 3.12Å; E428-H432 PolarHBondContact O-N 3.25Å |
| 429 | L | 77.3 | Confident | 74.7 | Confident | 69 Ų | 69 | 92 Ų | 92 | 36% | 0.361 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 171.9 | -66 | 175.8 | 0 | 0 | 0 | 111.7 | E420 A426 R431 H432 F435 | E420-L429 HydrophobicContact CG-CD1 4.1Å; E420-L429 HydrophobicContact CG-CG 4.22Å; A426-L429 PolarHBondContact O-N 3.42Å; L429-R431 PolarHBondContact O-N 3.19Å; L429-R431 VanDerWaalsContact O-N 3.08Å; L429-H432 WeakPolarHBondContact O-CB 3.41Å; L429-H432 PolarHBondContact O-N 3.29Å; L429-H432 VanDerWaalsContact O-N 3.08Å; L429-F435 WeakPolarHBondContact O-CD2 3.48Å |
| 430 | K | 79 | Confident | 75.9 | Confident | 63 Ų | 63 | 92.9 Ų | 92.9 | 27% | 0.274 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -25.7 | 174.2 | -71.6 | -161 | 171.7 | -170.2 | 0 | 113.6 | A426 W440 E441 | A426-K430 PolarHBondContact O-N 3.01Å; K430-W440 HydrophobicContact CB-CD2 4.39Å; K430-W440 HydrophobicContact CB-CG 4.3Å; K430-W440 HydrophobicContact CD-CB 3.81Å; K430-W440 HydrophobicContact CD-CD2 4.07Å; K430-W440 HydrophobicContact CD-CG 3.65Å; K430-W440 HydrophobicContact CG-CB 4.44Å; K430-W440 HydrophobicContact CG-CD2 3.7Å; K430-W440 HydrophobicContact CG-CE3 4.29Å; K430-W440 HydrophobicContact CG-CG 3.76Å; K430-W440 HydrophobicContact CG-CZ2 4.32Å; K430-W440 PolarHBondContact O-NE1 3.13Å; K430-E441 IonicContact NZ-OE1 2.75Å; K430-E441 PolarHBondContact NZ-OE1 3.5Å |
| 431 | R | 80 | Confident | 76.9 | Confident | 194 Ų | 194 | 98.1 Ų | 98.1 | 73% | 0.732 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -1.4 | -177.8 | -67.7 | 174.7 | -179.6 | 173.3 | 1.9 | 113.8 | H427 E428 L429 | H427-R431 WeakPolarHBondContact O-CG 3.45Å; E428-R431 PolarHBondContact O-N 2.68Å; E428-R431 VanDerWaalsContact O-N 3.12Å; L429-R431 PolarHBondContact O-N 3.19Å; L429-R431 VanDerWaalsContact O-N 3.08Å |
| 432 | H | 84.9 | Confident | 78.2 | Confident | 98 Ų | 98 | 97.6 Ų | 97.6 | 45% | 0.454 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -70.9 | 137.6 | 180 | -175.6 | -95.1 | 0 | 0 | 0 | 110.5 | E428 L429 L434 F435 | E428-H432 PolarHBondContact O-N 3.25Å; L429-H432 WeakPolarHBondContact O-CB 3.41Å; L429-H432 PolarHBondContact O-N 3.29Å; L429-H432 VanDerWaalsContact O-N 3.08Å; H432-L434 VanDerWaalsContact ND1-CB 3.29Å; H432-L434 WeakPolarHBondContact ND1-CB 3.28Å; H432-L434 PolarHBondContact ND1-N 3.13Å; H432-L434 PolarHBondContact O-N 2.91Å; H432-F435 HydrophobicContact CB-CD2 4.19Å; H432-F435 PolarHBondContact O-N 2.79Å |
| 433 | P | 88.3 | Confident | 79.5 | Confident | 101 Ų | 101 | 96.6 Ų | 96.6 | 66% | 0.656 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -54.9 | -29.5 | -174.3 | -29.4 | 36 | 0 | 0 | 0 | 115.3 | F435 S436 | P433-F435 PolarHBondContact O-N 3.05Å; P433-S436 PolarHBondContact O-N 3.46Å; P433-S436 PolarHBondContact O-OG 2.98Å |
| 434 | L | 89.1 | Confident | 80.5 | Confident | 130 Ų | 130 | 100.1 Ų | 100.1 | 68% | 0.681 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -60.1 | -25.6 | 175.4 | -174.4 | 62.7 | 0 | 0 | 0 | 113.7 | H432 | H432-L434 VanDerWaalsContact ND1-CB 3.29Å; H432-L434 WeakPolarHBondContact ND1-CB 3.28Å; H432-L434 PolarHBondContact ND1-N 3.13Å; H432-L434 PolarHBondContact O-N 2.91Å |
| 435 | F | 88.8 | Confident | 81.9 | Confident | 69 Ų | 69 | 103.9 Ų | 103.9 | 30% | 0.303 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -113.7 | 20 | -177 | -52.6 | -66.2 | 0 | 0 | 0 | 112.6 | L429 H432 P433 D437 V438 W440 | L429-F435 WeakPolarHBondContact O-CD2 3.48Å; H432-F435 HydrophobicContact CB-CD2 4.19Å; H432-F435 PolarHBondContact O-N 2.79Å; P433-F435 PolarHBondContact O-N 3.05Å; F435-D437 PolarHBondContact O-N 2.96Å; F435-V438 HydrophobicContact CB-CB 4.33Å; F435-V438 HydrophobicContact CB-CG2 4.05Å; F435-V438 HydrophobicContact CD1-CG2 4.13Å; F435-V438 PolarHBondContact O-N 3.29Å; F435-V438 VanDerWaalsContact O-N 3.14Å; F435-W440 HydrophobicContact CB-CZ2 3.61Å; F435-W440 HydrophobicContact CD1-CZ2 4.31Å; F435-W440 HydrophobicContact CD2-CZ2 4.29Å; F435-W440 HydrophobicContact CG-CH2 4.44Å; F435-W440 AromaticContact CG-CZ2 3.84Å; F435-W440 HydrophobicContact CG-CZ2 3.84Å |
| 436 | S | 86.3 | Confident | 83.1 | Confident | 89 Ų | 89 | 101.9 Ų | 101.9 | 62% | 0.622 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -30.8 | 177.4 | 57.6 | 0 | 0 | 0 | 0 | 113.1 | P433 | P433-S436 PolarHBondContact O-N 3.46Å; P433-S436 PolarHBondContact O-OG 2.98Å |
| 437 | D | 87 | Confident | 84.4 | Confident | 150 Ų | 150 | 105.8 Ų | 105.8 | 80% | 0.802 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -0.2 | -177.5 | -54.5 | -20.9 | 0 | 0 | 0 | 112.6 | F435 | F435-D437 PolarHBondContact O-N 2.96Š|
| 438 | V | 87.8 | Confident | 85.8 | Confident | 41 Ų | 41 | 106.3 Ų | 106.3 | 25% | 0.248 | 53% | 0.532 | C | S | . | . | | | trans | -89 | 109.7 | 178.6 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | F435 W440 L443 | F435-V438 HydrophobicContact CB-CB 4.33Å; F435-V438 HydrophobicContact CB-CG2 4.05Å; F435-V438 HydrophobicContact CD1-CG2 4.13Å; F435-V438 PolarHBondContact O-N 3.29Å; F435-V438 VanDerWaalsContact O-N 3.14Å; V438-W440 HydrophobicContact CB-CD2 4.42Å; V438-W440 HydrophobicContact CB-CZ2 4.27Å; V438-W440 HydrophobicContact CG1-CD2 3.74Å; V438-W440 HydrophobicContact CG1-CE3 4Å; V438-W440 HydrophobicContact CG1-CG 4.24Å; V438-W440 HydrophobicContact CG1-CH2 4.32Å; V438-W440 HydrophobicContact CG1-CZ2 4.08Å; V438-W440 HydrophobicContact CG1-CZ3 4.27Å; V438-W440 PolarHBondContact O-N 2.98Å; V438-W440 PolarHBondContact O-NE1 3.07Å; V438-L443 HydrophobicContact CG1-CD1 4.26Å |
| 439 | D | 88.2 | Confident | 86.8 | Confident | 74 Ų | 74 | 108.3 Ų | 108.3 | 40% | 0.396 | 55% | 0.553 | S | S | . | * | | | trans | -74.2 | 91.2 | 168.1 | -174.8 | -12.2 | 0 | 0 | 0 | 109.7 | E441 N442 L443 | D439-E441 PolarHBondContact O-N 3.15Å; D439-E441 PolarHBondContact OD1-N 2.76Å; D439-E441 VanDerWaalsContact OD1-N 3.09Å; D439-N442 HydrophobicContact CB-CB 4.29Å; D439-N442 VanDerWaalsContact CG-CB 3.41Å; D439-N442 PolarHBondContact O-N 3.45Å; D439-N442 PolarHBondContact OD1-N 2.96Å; D439-N442 WeakPolarHBondContact OD2-CB 3.14Å; D439-L443 WeakPolarHBondContact O-CA 3.36Å; D439-L443 PolarHBondContact O-N 3.08Å |
| 440 | W | 86.9 | Confident | 87.7 | Confident | 84 Ų | 84 | 110.6 Ų | 110.6 | 32% | 0.318 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.9 | -20.1 | -179.1 | -62.7 | 101.1 | 0 | 0 | 0 | 114.9 | K430 F435 V438 L443 | K430-W440 HydrophobicContact CB-CD2 4.39Å; K430-W440 HydrophobicContact CB-CG 4.3Å; K430-W440 HydrophobicContact CD-CB 3.81Å; K430-W440 HydrophobicContact CD-CD2 4.07Å; K430-W440 HydrophobicContact CD-CG 3.65Å; K430-W440 HydrophobicContact CG-CB 4.44Å; K430-W440 HydrophobicContact CG-CD2 3.7Å; K430-W440 HydrophobicContact CG-CE3 4.29Å; K430-W440 HydrophobicContact CG-CG 3.76Å; K430-W440 HydrophobicContact CG-CZ2 4.32Å; K430-W440 PolarHBondContact O-NE1 3.13Å; F435-W440 HydrophobicContact CB-CZ2 3.61Å; F435-W440 HydrophobicContact CD1-CZ2 4.31Å; F435-W440 HydrophobicContact CD2-CZ2 4.29Å; F435-W440 HydrophobicContact CG-CH2 4.44Å; F435-W440 AromaticContact CG-CZ2 3.84Å; F435-W440 HydrophobicContact CG-CZ2 3.84Å; V438-W440 HydrophobicContact CB-CD2 4.42Å; V438-W440 HydrophobicContact CB-CZ2 4.27Å; V438-W440 HydrophobicContact CG1-CD2 3.74Å; V438-W440 HydrophobicContact CG1-CE3 4Å; V438-W440 HydrophobicContact CG1-CG 4.24Å; V438-W440 HydrophobicContact CG1-CH2 4.32Å; V438-W440 HydrophobicContact CG1-CZ2 4.08Å; V438-W440 HydrophobicContact CG1-CZ3 4.27Å; V438-W440 PolarHBondContact O-N 2.98Å; V438-W440 PolarHBondContact O-NE1 3.07Å; W440-L443 HydrophobicContact CE3-CD2 4.42Å |
| 441 | E | 88.1 | Confident | 88.3 | Confident | 158 Ų | 158 | 113.2 Ų | 113.2 | 74% | 0.738 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -27.2 | -179.4 | -54 | -53.1 | 120 | 0 | 0 | 110.8 | K430 D439 | K430-E441 IonicContact NZ-OE1 2.75Å; K430-E441 PolarHBondContact NZ-OE1 3.5Å; D439-E441 PolarHBondContact O-N 3.15Å; D439-E441 PolarHBondContact OD1-N 2.76Å; D439-E441 VanDerWaalsContact OD1-N 3.09Å |
| 442 | N | 89.1 | Confident | 89 | Confident | 66 Ų | 66 | 106.9 Ų | 106.9 | 35% | 0.353 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.9 | 9 | 177.4 | -157.7 | 36.6 | 0 | 0 | 0 | 114.6 | D439 Q444 H445 Q446 | D439-N442 HydrophobicContact CB-CB 4.29Å; D439-N442 VanDerWaalsContact CG-CB 3.41Å; D439-N442 PolarHBondContact O-N 3.45Å; D439-N442 PolarHBondContact OD1-N 2.96Å; D439-N442 WeakPolarHBondContact OD2-CB 3.14Å; N442-Q444 PolarHBondContact O-N 3.08Å; N442-H445 PolarHBondContact O-N 3.48Å; N442-H445 WeakPolarHBondContact OD1-CB 3.23Å; N442-H445 PolarHBondContact OD1-ND1 3.11Å; N442-Q446 PolarHBondContact O-N 2.97Å |
| 443 | L | 88 | Confident | 89.5 | Confident | 86 Ų | 86 | 110 Ų | 110 | 45% | 0.45 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -51.1 | -33.2 | -172.8 | -173.6 | 63.3 | 0 | 0 | 0 | 114.3 | V438 D439 W440 H445 Q446 | V438-L443 HydrophobicContact CG1-CD1 4.26Å; D439-L443 WeakPolarHBondContact O-CA 3.36Å; D439-L443 PolarHBondContact O-N 3.08Å; W440-L443 HydrophobicContact CE3-CD2 4.42Å; L443-H445 VanDerWaalsContact C-N 3.32Å; L443-H445 PolarHBondContact O-N 3.31Å; L443-Q446 PolarHBondContact O-N 3.21Å |
| 444 | Q | 86.4 | Confident | 89.9 | Confident | 184 Ų | 184 | 108.6 Ų | 108.6 | 86% | 0.86 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -21.8 | 178.2 | -62.9 | -176.1 | 7.5 | 0 | 0 | 114.1 | N442 | N442-Q444 PolarHBondContact O-N 3.08Š|
| 445 | H | 89.2 | Confident | 90.1 | Very high | 142 Ų | 142 | 109.8 Ų | 109.8 | 66% | 0.657 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -1.4 | 177.5 | -45.2 | 111.2 | 0 | 0 | 0 | 112.5 | N442 L443 | N442-H445 PolarHBondContact O-N 3.48Å; N442-H445 WeakPolarHBondContact OD1-CB 3.23Å; N442-H445 PolarHBondContact OD1-ND1 3.11Å; L443-H445 VanDerWaalsContact C-N 3.32Å; L443-H445 PolarHBondContact O-N 3.31Å |
| 446 | Q | 88.8 | Confident | 90.3 | Very high | 82 Ų | 82 | 110.9 Ų | 110.9 | 38% | 0.383 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -68.2 | 137.3 | 170.4 | -69.6 | -165.4 | -33.8 | 0 | 0 | 110.2 | N442 L443 M448 | N442-Q446 PolarHBondContact O-N 2.97Å; L443-Q446 PolarHBondContact O-N 3.21Å; Q446-M448 PolarHBondContact O-N 2.94Å |
| 447 | T | 89.6 | Confident | 90.7 | Very high | 133 Ų | 133 | 116.5 Ų | 116.5 | 82% | 0.816 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 121.3 | 173.7 | 50.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 448 | M | 89.9 | Confident | 91 | Very high | 121 Ų | 121 | 114.7 Ų | 114.7 | 60% | 0.596 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -61 | 131.5 | 178 | -160.5 | 162.6 | 73.8 | 0 | 0 | 110 | Q446 F450 | Q446-M448 PolarHBondContact O-N 2.94Å; M448-F450 WeakPolarHBondContact CE-O 3.43Å; M448-F450 WeakPolarHBondContact CG-O 3.45Å; M448-F450 PolarHBondContact O-N 3.05Å; M448-F450 VanDerWaalsContact O-N 3.17Å |
| 449 | P | 91.1 | Very high | 91.2 | Very high | 141 Ų | 141 | 114.9 Ų | 114.9 | 92% | 0.916 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -67.9 | -17.9 | -172.8 | 26.9 | -36.3 | 0 | 0 | 0 | 113.5 | | |
| 450 | F | 94.7 | Very high | 91.4 | Very high | 116 Ų | 116 | 115.8 Ų | 115.8 | 51% | 0.509 | 60% | 0.601 | S | S | . | * | | | trans | -128.1 | 133 | 171.2 | 169.8 | -109.6 | 0 | 0 | 0 | 107.9 | M448 P452 Y462 | M448-F450 WeakPolarHBondContact CE-O 3.43Å; M448-F450 WeakPolarHBondContact CG-O 3.45Å; M448-F450 PolarHBondContact O-N 3.05Å; M448-F450 VanDerWaalsContact O-N 3.17Å; F450-P452 HydrophobicContact CE1-CB 4.42Å; F450-P452 HydrophobicContact CE1-CG 3.86Å; F450-P452 HydrophobicContact CZ-CB 4.44Å; F450-P452 HydrophobicContact CZ-CG 4.36Å; F450-Y462 AromaticContact CZ-CE1 3.7Å; F450-Y462 HydrophobicContact CZ-CE1 3.7Å; F450-Y462 AromaticContact CZ-CZ 3.92Å |
| 451 | I | 93.1 | Very high | 91.5 | Very high | 118 Ų | 118 | 115.5 Ų | 115.5 | 61% | 0.605 | 61% | 0.611 | S | S | * | * | | | trans | -121.9 | 121.8 | 172.1 | -60.5 | 175.4 | 0 | 0 | 0 | 105.7 | Q453 | I451-Q453 PolarHBondContact O-N 3.04Š|
| 452 | P | 94.7 | Very high | 91.8 | Very high | 62 Ų | 62 | 114 Ų | 114 | 40% | 0.403 | 60% | 0.6 | S | S | . | * | | | trans | -55.7 | 138.7 | 175.7 | -24.6 | 33.6 | 0 | 0 | 0 | 111.4 | F450 P454 Y462 | F450-P452 HydrophobicContact CE1-CB 4.42Å; F450-P452 HydrophobicContact CE1-CG 3.86Å; F450-P452 HydrophobicContact CZ-CB 4.44Å; F450-P452 HydrophobicContact CZ-CG 4.36Å; P452-P454 VanDerWaalsContact O-CD 3.29Å; P452-P454 WeakPolarHBondContact O-CD 3.15Å; P452-Y462 HydrophobicContact CB-CD2 4.32Å; P452-Y462 HydrophobicContact CB-CE2 3.77Å |
| 453 | Q | 95.2 | Very high | 91.8 | Very high | 163 Ų | 163 | 118.2 Ų | 118.2 | 76% | 0.762 | 62% | 0.616 | S | S | * | * | | | trans | -119.2 | 71.6 | 177.3 | -59.3 | -168.2 | -74.5 | 0 | 0 | 109.6 | I451 Y462 | I451-Q453 PolarHBondContact O-N 3.04Å; Q453-Y462 PolarHBondContact N-OH 3.39Å |
| 454 | P | 95.3 | Very high | 91.6 | Very high | 71 Ų | 71 | 120.8 Ų | 120.8 | 46% | 0.461 | 63% | 0.625 | S | S | . | * | | | trans | -67.6 | 145 | 172.9 | 29.6 | -33.9 | 0 | 0 | 0 | 110.9 | P452 D459 | P452-P454 VanDerWaalsContact O-CD 3.29Å; P452-P454 WeakPolarHBondContact O-CD 3.15Å; P454-D459 VanDerWaalsContact CA-OD2 3.28Å; P454-D459 WeakPolarHBondContact CA-OD2 3.42Å; P454-D459 HydrophobicContact CB-CB 3.85Å |
| 455 | D | 93.2 | Very high | 91.4 | Very high | 155 Ų | 155 | 114.7 Ų | 114.7 | 83% | 0.829 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -70 | -36.7 | 178.6 | -76.3 | -33.4 | 0 | 0 | 0 | 112.4 | D459 | D455-D459 PolarHBondContact N-OD2 3.14Š|
| 456 | D | 94.7 | Very high | 90.8 | Very high | 93 Ų | 93 | 117.7 Ų | 117.7 | 50% | 0.497 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -151.1 | 178.8 | 174.6 | 69.1 | 44.5 | 0 | 0 | 0 | 112.9 | T458 D459 | D456-T458 PolarHBondContact O-N 3.49Å; D456-T458 VanDerWaalsContact O-N 3.14Å; D456-T458 VanDerWaalsContact OD1-CA 3.23Å; D456-T458 WeakPolarHBondContact OD1-CA 3.49Å; D456-T458 WeakPolarHBondContact OD1-CB 3.47Å; D456-T458 PolarHBondContact OD1-N 3.31Å; D456-T458 PolarHBondContact OD1-OG1 3.48Å; D456-D459 WeakPolarHBondContact O-CB 3.34Å; D456-D459 PolarHBondContact O-N 3.33Å; D456-D459 VanDerWaalsContact O-N 3.11Å; D456-D459 PolarHBondContact OD1-N 2.97Å; D456-D459 VanDerWaalsContact OD1-N 3.09Å |
| 457 | E | 94.1 | Very high | 89.9 | Confident | 206 Ų | 206 | 117.5 Ų | 117.5 | 96% | 0.963 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -15.5 | -179.8 | -63.4 | -174.1 | 173.9 | 0 | 0 | 114.5 | | |
| 458 | T | 92.1 | Very high | 89.1 | Confident | 112 Ų | 112 | 115.2 Ų | 115.2 | 69% | 0.687 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | -1.5 | 178.5 | 70.6 | 0 | 0 | 0 | 0 | 113.2 | D456 T460 | D456-T458 PolarHBondContact O-N 3.49Å; D456-T458 VanDerWaalsContact O-N 3.14Å; D456-T458 VanDerWaalsContact OD1-CA 3.23Å; D456-T458 WeakPolarHBondContact OD1-CA 3.49Å; D456-T458 WeakPolarHBondContact OD1-CB 3.47Å; D456-T458 PolarHBondContact OD1-N 3.31Å; D456-T458 PolarHBondContact OD1-OG1 3.48Å; T458-T460 PolarHBondContact O-N 3.07Å |
| 459 | D | 92.4 | Very high | 88.3 | Confident | 45 Ų | 45 | 112 Ų | 112 | 24% | 0.241 | 59% | 0.591 | C | S | . | * | | | trans | -64 | 123.9 | 179.3 | -177.8 | 23.5 | 0 | 0 | 0 | 111.3 | P454 D455 D456 S461 | P454-D459 VanDerWaalsContact CA-OD2 3.28Å; P454-D459 WeakPolarHBondContact CA-OD2 3.42Å; P454-D459 HydrophobicContact CB-CB 3.85Å; D455-D459 PolarHBondContact N-OD2 3.14Å; D456-D459 WeakPolarHBondContact O-CB 3.34Å; D456-D459 PolarHBondContact O-N 3.33Å; D456-D459 VanDerWaalsContact O-N 3.11Å; D456-D459 PolarHBondContact OD1-N 2.97Å; D456-D459 VanDerWaalsContact OD1-N 3.09Å; D459-S461 VanDerWaalsContact CG-OG 3.27Å; D459-S461 WeakPolarHBondContact OD1-CB 3.33Å; D459-S461 PolarHBondContact OD1-N 3.15Å; D459-S461 PolarHBondContact OD1-OG 3.09Å; D459-S461 WeakPolarHBondContact OD2-CB 3.46Å; D459-S461 PolarHBondContact OD2-OG 3.05Å |
| 460 | T | 92.3 | Very high | 87.7 | Confident | 94 Ų | 94 | 111.2 Ų | 111.2 | 58% | 0.577 | 58% | 0.576 | S | S | * | * | | | trans | -115 | 19.9 | 176.6 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | T458 Y462 F463 | T458-T460 PolarHBondContact O-N 3.07Å; T460-Y462 PolarHBondContact O-N 3.15Å; T460-F463 HydrophobicContact CG2-CD2 4.28Å; T460-F463 WeakPolarHBondContact O-CA 3.27Å; T460-F463 WeakPolarHBondContact O-CB 3.39Å; T460-F463 PolarHBondContact O-N 3.36Å |
| 461 | S | 90.4 | Very high | 86.7 | Confident | 77 Ų | 77 | 113.9 Ų | 113.9 | 54% | 0.538 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -50.5 | -36.9 | 179.7 | 58.4 | 0 | 0 | 0 | 0 | 114.4 | D459 F463 | D459-S461 VanDerWaalsContact CG-OG 3.27Å; D459-S461 WeakPolarHBondContact OD1-CB 3.33Å; D459-S461 PolarHBondContact OD1-N 3.15Å; D459-S461 PolarHBondContact OD1-OG 3.09Å; D459-S461 WeakPolarHBondContact OD2-CB 3.46Å; D459-S461 PolarHBondContact OD2-OG 3.05Å; S461-F463 PolarHBondContact O-N 2.91Å |
| 462 | Y | 93.5 | Very high | 86 | Confident | 126 Ų | 126 | 112.7 Ų | 112.7 | 49% | 0.494 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.3 | -2.1 | 175.7 | -64 | -70.3 | 0 | 0 | 0 | 114.7 | F450 P452 Q453 T460 | F450-Y462 AromaticContact CZ-CE1 3.7Å; F450-Y462 HydrophobicContact CZ-CE1 3.7Å; F450-Y462 AromaticContact CZ-CZ 3.92Å; P452-Y462 HydrophobicContact CB-CD2 4.32Å; P452-Y462 HydrophobicContact CB-CE2 3.77Å; Q453-Y462 PolarHBondContact N-OH 3.39Å; T460-Y462 PolarHBondContact O-N 3.15Å |
| 463 | F | 89.4 | Confident | 85 | Confident | 156 Ų | 156 | 116.4 Ų | 116.4 | 68% | 0.684 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -109.8 | 123.1 | 178.5 | -61.5 | -91.7 | 0 | 0 | 0 | 111.1 | T460 S461 A465 | T460-F463 HydrophobicContact CG2-CD2 4.28Å; T460-F463 WeakPolarHBondContact O-CA 3.27Å; T460-F463 WeakPolarHBondContact O-CB 3.39Å; T460-F463 PolarHBondContact O-N 3.36Å; S461-F463 PolarHBondContact O-N 2.91Å; F463-A465 PolarHBondContact O-N 3.21Å |
| 464 | E | 83.8 | Confident | 83.9 | Confident | 140 Ų | 140 | 112.9 Ų | 112.9 | 65% | 0.654 | 60% | 0.595 | S | S | * | * | | | trans | -71.5 | 122.2 | 170.6 | -167 | 175.1 | -158.8 | 0 | 0 | 110.3 | R466 A469 | E464-R466 PolarHBondContact O-N 3.3Å; E464-A469 HydrophobicContact CG-CB 4.15Å |
| 465 | A | 82.6 | Confident | 82.8 | Confident | 55 Ų | 55 | 113.6 Ų | 113.6 | 46% | 0.455 | 60% | 0.602 | S | S | . | * | | | trans | -60.2 | 127.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | F463 N467 T468 A469 | F463-A465 PolarHBondContact O-N 3.21Å; A465-N467 PolarHBondContact O-N 3.19Å; A465-T468 WeakPolarHBondContact O-CA 3.29Å; A465-T468 VanDerWaalsContact O-CB 3.27Å; A465-T468 WeakPolarHBondContact O-CB 3.38Å; A465-T468 PolarHBondContact O-N 3.45Å; A465-A469 PolarHBondContact O-N 3.28Å |
| 466 | R | 75.6 | Confident | 81.4 | Confident | 206 Ų | 206 | 109.9 Ų | 109.9 | 78% | 0.777 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -53.3 | -32.9 | -176.7 | -70.7 | -177.2 | -179.7 | 150.5 | 2.8 | 113.6 | E464 A469 Q470 | E464-R466 PolarHBondContact O-N 3.3Å; R466-A469 PolarHBondContact O-N 3.41Å; R466-Q470 VanDerWaalsContact O-CB 3.29Å; R466-Q470 WeakPolarHBondContact O-CB 3.45Å; R466-Q470 VanDerWaalsContact O-CG 3.28Å; R466-Q470 WeakPolarHBondContact O-CG 3.28Å; R466-Q470 PolarHBondContact O-N 3.07Å |
| 467 | N | 70.9 | Confident | 79.7 | Confident | 78 Ų | 78 | 114.5 Ų | 114.5 | 42% | 0.417 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.7 | -40.5 | 176.6 | -58.6 | -27.5 | 0 | 0 | 0 | 111.3 | A465 Q470 H471 L472 V474 | A465-N467 PolarHBondContact O-N 3.19Å; N467-Q470 CarbonylContact O-C 3.58Å; N467-Q470 PolarHBondContact O-N 3.47Å; N467-H471 CarbonylContact O-C 3.56Å; N467-H471 PolarHBondContact O-N 3.08Å; N467-L472 HydrophobicContact CB-CB 4.31Å; N467-L472 PolarHBondContact O-N 3.19Å; N467-V474 HydrophobicContact CB-CG2 4.06Å; N467-V474 WeakPolarHBondContact ND2-CG2 3.18Å |
| 468 | T | 72.6 | Confident | 77.4 | Confident | 84 Ų | 84 | 110.4 Ų | 110.4 | 52% | 0.515 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.8 | -51.1 | 173.4 | -50.5 | 0 | 0 | 0 | 0 | 110.9 | A465 Q470 H471 | A465-T468 WeakPolarHBondContact O-CA 3.29Å; A465-T468 VanDerWaalsContact O-CB 3.27Å; A465-T468 WeakPolarHBondContact O-CB 3.38Å; A465-T468 PolarHBondContact O-N 3.45Å; T468-Q470 PolarHBondContact O-N 3.15Å; T468-H471 PolarHBondContact O-N 3.41Å |
| 469 | A | 72.5 | Confident | 74.9 | Confident | 53 Ų | 53 | 116.7 Ų | 116.7 | 44% | 0.438 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -61.9 | -24.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E464 A465 R466 | E464-A469 HydrophobicContact CG-CB 4.15Å; A465-A469 PolarHBondContact O-N 3.28Å; R466-A469 PolarHBondContact O-N 3.41Å |
| 470 | Q | 79.2 | Confident | 74 | Confident | 126 Ų | 126 | 120.3 Ų | 120.3 | 59% | 0.589 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | 4.8 | 176 | -65.9 | -179.4 | -19.6 | 0 | 0 | 113.4 | R466 N467 T468 L472 | R466-Q470 VanDerWaalsContact O-CB 3.29Å; R466-Q470 WeakPolarHBondContact O-CB 3.45Å; R466-Q470 VanDerWaalsContact O-CG 3.28Å; R466-Q470 WeakPolarHBondContact O-CG 3.28Å; R466-Q470 PolarHBondContact O-N 3.07Å; N467-Q470 CarbonylContact O-C 3.58Å; N467-Q470 PolarHBondContact O-N 3.47Å; T468-Q470 PolarHBondContact O-N 3.15Å; Q470-L472 HydrophobicContact CB-CD1 3.95Å; Q470-L472 HydrophobicContact CB-CG 3.79Å; Q470-L472 PolarHBondContact O-N 3.01Å; Q470-L472 VanDerWaalsContact O-N 3.13Å |
| 471 | H | 74.2 | Confident | 73 | Confident | 171 Ų | 171 | 121.7 Ų | 121.7 | 79% | 0.792 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.3 | 31.3 | -172.5 | -57.1 | -63.1 | 0 | 0 | 0 | 114.3 | N467 T468 T473 | N467-H471 CarbonylContact O-C 3.56Å; N467-H471 PolarHBondContact O-N 3.08Å; T468-H471 PolarHBondContact O-N 3.41Å; H471-T473 PolarHBondContact O-N 3.44Å |
| 472 | L | 77 | Confident | 72.1 | Confident | 93 Ų | 93 | 124.2 Ų | 124.2 | 49% | 0.487 | 67% | 0.669 | S | S | . | * | | | trans | -81.2 | 102.2 | 176.9 | -64.9 | 176.8 | 0 | 0 | 0 | 109.8 | N467 Q470 V474 | N467-L472 HydrophobicContact CB-CB 4.31Å; N467-L472 PolarHBondContact O-N 3.19Å; Q470-L472 HydrophobicContact CB-CD1 3.95Å; Q470-L472 HydrophobicContact CB-CG 3.79Å; Q470-L472 PolarHBondContact O-N 3.01Å; Q470-L472 VanDerWaalsContact O-N 3.13Å; L472-V474 PolarHBondContact O-N 3.32Å |
| 473 | T | 74.8 | Confident | 70.8 | Confident | 140 Ų | 140 | 124.1 Ų | 124.1 | 86% | 0.859 | 68% | 0.68 | S | S | * | * | | | trans | -66.6 | 92.1 | 170.1 | -45.5 | 0 | 0 | 0 | 0 | 109.9 | H471 S475 | H471-T473 PolarHBondContact O-N 3.44Å; T473-S475 PolarHBondContact O-N 3.44Å |
| 474 | V | 71.8 | Confident | 69.7 | Low | 90 Ų | 90 | 122.1 Ų | 122.1 | 55% | 0.545 | 68% | 0.679 | S | S | . | * | | | trans | -72.6 | 126.6 | 169.7 | -175.8 | 0 | 0 | 0 | 0 | 108 | N467 L472 G476 | N467-V474 HydrophobicContact CB-CG2 4.06Å; N467-V474 WeakPolarHBondContact ND2-CG2 3.18Å; L472-V474 PolarHBondContact O-N 3.32Å; V474-G476 PolarHBondContact O-N 3.31Å; V474-G476 VanDerWaalsContact O-N 3.08Å |
| 475 | S | 71.1 | Confident | 68.7 | Low | 85 Ų | 85 | 120.9 Ų | 120.9 | 59% | 0.594 | 68% | 0.681 | S | S | * | * | | | trans | -61.9 | 111.4 | 172.1 | 52.3 | 0 | 0 | 0 | 0 | 109.3 | T473 F477 | T473-S475 PolarHBondContact O-N 3.44Å; S475-F477 PolarHBondContact O-N 3.39Å |
| 476 | G | 64.1 | Low | 67.7 | Low | 77 Ų | 77 | 125.6 Ų | 125.6 | 79% | 0.794 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 133.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V474 | V474-G476 PolarHBondContact O-N 3.31Å; V474-G476 VanDerWaalsContact O-N 3.08Å |
| 477 | F | 60.3 | Low | 67.1 | Low | 190 Ų | 190 | 119.4 Ų | 119.4 | 83% | 0.833 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 121.1 | 165 | -67.6 | -84.5 | 0 | 0 | 0 | 107.9 | S475 | S475-F477 PolarHBondContact O-N 3.39Š|
| 478 | S | 44.8 | Very low | 66.8 | Low | 120 Ų | 120 | 122.8 Ų | 122.8 | 84% | 0.839 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 129.6 | 163.9 | 56.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 479 | L | 39.3 | Very low | 66.3 | Low | 245 Ų | 245 | 126.4 Ų | 126.4 | 100% | 1.283 | 73% | 0.732 | S | S | * | * | | | trans | -87.1 | 0 | 165.2 | -88.7 | 158.2 | 0 | 0 | 0 | 110.1 | | |