| 1 | M | 30.6 | Very low | 32.5 | Very low | 235 Ų | 235 | 166.2 Ų | 166.2 | 100% | 1.158 | 84% | 0.843 | S | S | * | * | | | | 0 | 117.5 | 0 | -74.6 | 160 | 79.3 | 0 | 0 | 105.9 | | |
| 2 | K | 33.8 | Very low | 32.3 | Very low | 209 Ų | 209 | 166.6 Ų | 166.6 | 91% | 0.909 | 85% | 0.847 | S | S | * | * | | | cis | 43.8 | 108.8 | 41.9 | -71.9 | -169.8 | 177.8 | -175.8 | 0 | 109.6 | | |
| 3 | G | 36.1 | Very low | 31.8 | Very low | 64 Ų | 64 | 160.6 Ų | 160.6 | 66% | 0.66 | 83% | 0.83 | S | S | * | * | | | cis | 165.3 | -144.1 | 13.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 4 | L | 34.8 | Very low | 31.4 | Very low | 189 Ų | 189 | 160.1 Ų | 160.1 | 99% | 0.99 | 83% | 0.829 | S | S | * | * | | | trans | 71.5 | 148.7 | 178.6 | -44 | 171.4 | 0 | 0 | 0 | 114.2 | | |
| 5 | G | 32.7 | Very low | 31 | Very low | 59 Ų | 59 | 157 Ų | 157 | 61% | 0.608 | 83% | 0.827 | S | S | * | * | | | cis | 170.9 | 129.7 | -12.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 6 | T | 34.9 | Very low | 30.8 | Very low | 129 Ų | 129 | 155.6 Ų | 155.6 | 79% | 0.791 | 83% | 0.832 | S | S | * | * | | | trans | 62.4 | 135.7 | 138.3 | 60.4 | 0 | 0 | 0 | 0 | 123.1 | | |
| 7 | N | 30.3 | Very low | 30.7 | Very low | 146 Ų | 146 | 154.6 Ų | 154.6 | 78% | 0.781 | 83% | 0.827 | S | S | * | * | | | trans | 67.7 | 119.9 | 142 | -82.2 | -54.2 | 0 | 0 | 0 | 121 | | |
| 8 | R | 31.2 | Very low | 31.3 | Very low | 244 Ų | 244 | 152.1 Ų | 152.1 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | | | | -167 | 163.1 | 97.9 | -98.2 | 169.8 | 103.3 | 150.6 | 5.8 | 112.6 | | |
| 9 | N | 30.5 | Very low | 31.2 | Very low | 140 Ų | 140 | 148.9 Ų | 148.9 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | | | trans | -106.7 | 145.6 | -174.8 | 176.8 | 10.5 | 0 | 0 | 0 | 111.3 | | |
| 10 | R | 30.2 | Very low | 31.2 | Very low | 237 Ų | 237 | 148.4 Ų | 148.4 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | | | trans | -167 | 143.2 | 157.2 | -109.3 | 166.3 | -166 | -164.8 | 1.2 | 113.1 | | |
| 11 | H | 32.1 | Very low | 31 | Very low | 176 Ų | 176 | 148.1 Ų | 148.1 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | | | trans | -76 | 158.3 | 164 | -90.3 | -110.5 | 0 | 0 | 0 | 112.1 | | |
| 12 | L | 29.9 | Very low | 31.1 | Very low | 171 Ų | 171 | 145.5 Ų | 145.5 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | | | trans | -159.4 | 178.1 | 130.7 | -106 | 171.7 | 0 | 0 | 0 | 110.1 | | |
| 13 | S | 26.7 | Very low | 31.9 | Very low | 89 Ų | 89 | 140 Ų | 140 | 62% | 0.622 | 78% | 0.775 | S | S | * | * | | | trans | -115.6 | -170.8 | -154.9 | -52.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 14 | D | 25.8 | Very low | 31.6 | Very low | 153 Ų | 153 | 145.8 Ų | 145.8 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | 78.6 | 118.3 | 165.8 | -48.7 | -29.4 | 0 | 0 | 0 | 115.9 | | |
| 15 | S | 26.1 | Very low | 31.5 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | cis | 83.8 | 111.7 | 31.4 | -162.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 16 | C | 27.3 | Very low | 31.4 | Very low | 134 Ų | 134 | 145.5 Ų | 145.5 | 91% | 0.905 | 78% | 0.781 | S | S | * | * | | | trans | -168.6 | 91.4 | 162.9 | -111.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 17 | D | 29.7 | Very low | 31.2 | Very low | 140 Ų | 140 | 148.8 Ų | 148.8 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | | | trans | -89.7 | 156 | 155.4 | -163.9 | -22.5 | 0 | 0 | 0 | 106.9 | S19 | D17-S19 PolarHBondContact OD1-N 2.92Š|
| 18 | P | 40.6 | Very low | 31 | Very low | 108 Ų | 108 | 148.4 Ų | 148.4 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | | | | -153.4 | 121.1 | 108.5 | 35.7 | -16 | 0 | 0 | 0 | 117.1 | | |
| 19 | S | 29.2 | Very low | 30.7 | Very low | 92 Ų | 92 | 144.4 Ų | 144.4 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | | | | 70.4 | 168.5 | 124.7 | 83.2 | 0 | 0 | 0 | 0 | 118.2 | D17 | D17-S19 PolarHBondContact OD1-N 2.92Š|
| 20 | L | 32 | Very low | 30.6 | Very low | 139 Ų | 139 | 146.2 Ų | 146.2 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | | | cis | -156.9 | 137.7 | -11.3 | -144.2 | 64.8 | 0 | 0 | 0 | 103.8 | | |
| 21 | N | 27 | Very low | 30.4 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | | | | 174.6 | 164.5 | 74.1 | -113 | -41.1 | 0 | 0 | 0 | 111.1 | | |
| 22 | H | 32.7 | Very low | 30.3 | Very low | 179 Ų | 179 | 137.1 Ų | 137.1 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | | | trans | -92.7 | -168.7 | 168 | -96.4 | -76.1 | 0 | 0 | 0 | 110.9 | | |
| 23 | P | 49.7 | Very low | 30.3 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 62% | 0.617 | 75% | 0.75 | S | S | * | * | | | cis | -137.5 | -179.2 | 3.4 | 32.1 | -8 | 0 | 0 | 0 | 117.6 | | |
| 24 | E | 31.3 | Very low | 30.6 | Very low | 184 Ų | 184 | 139 Ų | 139 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | | | trans | 56.6 | 157.4 | 143.7 | -73.8 | 163.2 | -179.6 | 0 | 0 | 122.4 | | |
| 25 | A | 31.7 | Very low | 31.6 | Very low | 80 Ų | 80 | 137 Ų | 137 | 66% | 0.661 | 76% | 0.757 | S | S | * | * | | | cis | -162.2 | 151.6 | -24.2 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 26 | L | 30 | Very low | 31.7 | Very low | 163 Ų | 163 | 143 Ų | 143 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | | | | -177 | 168.4 | 86.9 | -92.7 | 168 | 0 | 0 | 0 | 112.7 | | |
| 27 | Y | 30.8 | Very low | 31.9 | Very low | 198 Ų | 198 | 141.4 Ų | 141.4 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | | | trans | -62.7 | 171.2 | 180 | -73.5 | -81.4 | 0 | 0 | 0 | 116 | | |
| 28 | H | 26.2 | Very low | 32.6 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 64% | 0.639 | 75% | 0.752 | S | S | * | * | | | cis | -161.3 | 153.8 | 10.4 | -134 | -24.5 | 0 | 0 | 0 | 113.5 | | |
| 29 | Q | 25.3 | Very low | 32.1 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | trans | 66.3 | 150 | 130.9 | -150.2 | 169.4 | 4.2 | 0 | 0 | 120.9 | | |
| 30 | K | 27.8 | Very low | 32.2 | Very low | 177 Ų | 177 | 148 Ų | 148 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | cis | -170.2 | 166.6 | -36.3 | -170.5 | 173.2 | -178.2 | -179.7 | 0 | 108.5 | | |
| 31 | T | 27.6 | Very low | 32.2 | Very low | 130 Ų | 130 | 148 Ų | 148 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | | | trans | 81.7 | 162.7 | 166.4 | 76.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 32 | S | 28.1 | Very low | 32.1 | Very low | 93 Ų | 93 | 146.1 Ų | 146.1 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | | | | 176.4 | 144.4 | -57.6 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 33 | T | 31.2 | Very low | 32.5 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | | | trans | 65 | 120.3 | 151.7 | 38.3 | 0 | 0 | 0 | 0 | 122.5 | | |
| 34 | L | 32.8 | Very low | 31.5 | Very low | 165 Ų | 165 | 145.2 Ų | 145.2 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | | | trans | -53 | 170.5 | 147.9 | -72.2 | 163.7 | 0 | 0 | 0 | 112.4 | | |
| 35 | P | 46.5 | Very low | 31.8 | Very low | 112 Ų | 112 | 144.9 Ų | 144.9 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | cis | -155.4 | -161.6 | 35.4 | 44.4 | -21.5 | 0 | 0 | 0 | 118.5 | | |
| 36 | R | 28.7 | Very low | 31.8 | Very low | 240 Ų | 240 | 147.8 Ų | 147.8 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | | | trans | 101.5 | 152.4 | 148.9 | -131.4 | -175.1 | -172.6 | 100.6 | -1.3 | 119.4 | | |
| 37 | S | 30.7 | Very low | 31.9 | Very low | 101 Ų | 101 | 148.4 Ų | 148.4 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -122.2 | 178.1 | 170.9 | 69 | 0 | 0 | 0 | 0 | 108.6 | | |
| 38 | P | 45.9 | Very low | 31.9 | Very low | 112 Ų | 112 | 150.1 Ų | 150.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | cis | -145.9 | -152.6 | 34.2 | 43.8 | -20 | 0 | 0 | 0 | 116.4 | | |
| 39 | Y | 28.8 | Very low | 32.2 | Very low | 213 Ų | 213 | 146.6 Ų | 146.6 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | | | trans | -52.7 | 152.4 | -173.4 | -51.4 | -92.9 | 0 | 0 | 0 | 119.1 | | |
| 40 | L | 32.4 | Very low | 32.6 | Very low | 152 Ų | 152 | 145 Ų | 145 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | | | | 174 | 152.3 | 99.3 | -89 | 178.3 | 0 | 0 | 0 | 115.7 | | |
| 41 | L | 30.3 | Very low | 32.8 | Very low | 140 Ų | 140 | 144.7 Ų | 144.7 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | | | trans | 57 | 118.5 | 147.3 | -69.8 | 164.6 | 0 | 0 | 0 | 124.5 | | |
| 42 | S | 26.7 | Very low | 32.8 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | | 62.5 | 149.9 | 124.5 | -59.3 | 0 | 0 | 0 | 0 | 123.2 | | |
| 43 | P | 40.7 | Very low | 33.5 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | | | trans | -96 | 150.1 | -171.1 | 37.6 | -35.3 | 0 | 0 | 0 | 115 | | |
| 44 | T | 29.2 | Very low | 33.5 | Very low | 131 Ų | 131 | 146 Ų | 146 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | -131.4 | 135.1 | 160.5 | 47.9 | 0 | 0 | 0 | 0 | 109 | | |
| 45 | M | 36.6 | Very low | 33.4 | Very low | 177 Ų | 177 | 146.4 Ų | 146.4 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | | | trans | -144.5 | 139.9 | 160.9 | -152.8 | -169.9 | 82.3 | 0 | 0 | 108.6 | | |
| 46 | D | 31.8 | Very low | 32.5 | Very low | 140 Ų | 140 | 151.5 Ų | 151.5 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | | | trans | -90.9 | 165.1 | -148.8 | -57.5 | -88.6 | 0 | 0 | 0 | 116.1 | | |
| 47 | H | 31.8 | Very low | 33 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 82% | 0.819 | 78% | 0.775 | S | S | * | * | | | trans | -87.7 | 143.5 | 173.4 | -69.8 | 17.6 | 0 | 0 | 0 | 112.3 | | |
| 48 | Y | 30.4 | Very low | 32.8 | Very low | 234 Ų | 234 | 145.9 Ų | 145.9 | 92% | 0.918 | 78% | 0.779 | S | S | * | * | | | trans | -163.9 | 136.9 | 132.3 | -96.9 | -76.2 | 0 | 0 | 0 | 105.1 | | |
| 49 | G | 33.7 | Very low | 32 | Very low | 64 Ų | 64 | 145.3 Ų | 145.3 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | | | cis | 96.2 | 126.1 | 34.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 50 | T | 32.1 | Very low | 32.1 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | cis | -159 | 156.3 | 13.7 | -18.4 | 0 | 0 | 0 | 0 | 106.3 | | |
| 51 | M | 32.7 | Very low | 32.6 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | | | | -166.9 | 156.7 | 63.4 | -73.2 | -71.5 | -76.6 | 0 | 0 | 111.3 | | |
| 52 | D | 27.2 | Very low | 32.6 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | | | trans | -91.8 | -171.3 | 165.3 | -153.1 | 36.5 | 0 | 0 | 0 | 108.3 | | |
| 53 | P | 43.3 | Very low | 32.5 | Very low | 85 Ų | 85 | 139 Ų | 139 | 55% | 0.552 | 79% | 0.792 | S | S | * | * | | | cis | -150.9 | 176.1 | 8.3 | 47 | -26.6 | 0 | 0 | 0 | 121.3 | | |
| 54 | H | 31.3 | Very low | 32.4 | Very low | 163 Ų | 163 | 141.1 Ų | 141.1 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | 90.7 | 144.2 | 144.4 | -63.3 | -29.1 | 0 | 0 | 0 | 124.3 | | |
| 55 | L | 30.5 | Very low | 32.9 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | | | trans | 96.3 | 115.7 | 153.8 | -72.5 | 159.4 | 0 | 0 | 0 | 122.5 | | |
| 56 | Y | 27.5 | Very low | 32.8 | Very low | 219 Ų | 219 | 136.3 Ų | 136.3 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | | | trans | -75.9 | 178.4 | 152.6 | -101.1 | -107.3 | 0 | 0 | 0 | 110.6 | | |
| 57 | P | 40.4 | Very low | 32.5 | Very low | 110 Ų | 110 | 137 Ų | 137 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | | | cis | -137.6 | 178.6 | 6.1 | 41.9 | -23.8 | 0 | 0 | 0 | 117.5 | | |
| 58 | S | 26.5 | Very low | 32.4 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | trans | -0 | 135.5 | 144.3 | -171.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 59 | A | 27.3 | Very low | 32.4 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | | -167.6 | 141.1 | 121.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 60 | N | 32.4 | Very low | 32.5 | Very low | 156 Ų | 156 | 135.6 Ų | 135.6 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | | | trans | -91.4 | 154.2 | 159.5 | -122.1 | -28.5 | 0 | 0 | 0 | 107.9 | | |
| 61 | P | 41.4 | Very low | 33.1 | Very low | 127 Ų | 127 | 135.4 Ų | 135.4 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | | -149.1 | -169.8 | 70.6 | 40.6 | -21.1 | 0 | 0 | 0 | 114.5 | | |
| 62 | G | 30.5 | Very low | 33.1 | Very low | 75 Ų | 75 | 135.3 Ų | 135.3 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | -141.6 | 164.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 63 | S | 26.4 | Very low | 33.1 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | trans | -164.8 | 142.9 | 172.5 | 55.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 64 | L | 36.8 | Very low | 32.4 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | | | trans | -76.7 | 158.1 | 162.6 | -58.1 | 170.9 | 0 | 0 | 0 | 109.6 | | |
| 65 | P | 40.7 | Very low | 32.3 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | | | | -146.2 | -167.9 | 72.3 | 25.3 | 0.5 | 0 | 0 | 0 | 113.4 | | |
| 66 | A | 33.7 | Very low | 32.2 | Very low | 83 Ų | 83 | 135.3 Ų | 135.3 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | | | cis | -166.3 | -163.3 | -37.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 67 | D | 25.8 | Very low | 32.3 | Very low | 155 Ų | 155 | 130.8 Ų | 130.8 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | | | trans | 72.3 | 139.6 | 172.6 | -56.4 | -15.5 | 0 | 0 | 0 | 117.5 | | |
| 68 | C | 29.4 | Very low | 31.6 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 71% | 0.709 | 79% | 0.794 | S | S | * | * | | | cis | -162.4 | 148.1 | -13.5 | -125.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 69 | M | 31.6 | Very low | 31.7 | Very low | 178 Ų | 178 | 132.9 Ų | 132.9 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | | | trans | 73.4 | 152.5 | 155.4 | -57.2 | -60.7 | -81.4 | 0 | 0 | 122.3 | | |
| 70 | L | 35.4 | Very low | 31.8 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | trans | -113.1 | 165.5 | 178.4 | -63.9 | 165.5 | 0 | 0 | 0 | 110.4 | | |
| 71 | P | 44.2 | Very low | 31.8 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | | -150.8 | 158.3 | 87.7 | 38.6 | -19.7 | 0 | 0 | 0 | 118.6 | | |
| 72 | L | 32.8 | Very low | 31.3 | Very low | 169 Ų | 169 | 134 Ų | 134 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | | | trans | -20.3 | 144.7 | 158.6 | -61.2 | 155.4 | 0 | 0 | 0 | 119.6 | | |
| 73 | N | 26.5 | Very low | 31.7 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | | | | -161.2 | -172.9 | 100.9 | -151.2 | -5.7 | 0 | 0 | 0 | 112.2 | | |
| 74 | N | 29.5 | Very low | 31.6 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 63% | 0.626 | 79% | 0.787 | S | S | * | * | | | trans | -135.8 | 157.7 | -148.5 | -163 | 10.9 | 0 | 0 | 0 | 115.1 | | |
| 75 | Q | 29.2 | Very low | 31.6 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 67% | 0.673 | 78% | 0.783 | S | S | * | * | | | trans | 70.2 | 136.2 | 152.7 | -94.3 | 178.6 | 91.3 | 0 | 0 | 123.2 | | |
| 76 | L | 28.7 | Very low | 31.1 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | | | trans | 64.7 | 120.3 | 146.1 | -62.8 | 171.1 | 0 | 0 | 0 | 120.3 | | |
| 77 | S | 28.7 | Very low | 30.7 | Very low | 125 Ų | 125 | 144 Ų | 144 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | trans | -145.6 | 107.9 | 146 | -76.4 | 0 | 0 | 0 | 0 | 110 | | |
| 78 | N | 26.3 | Very low | 30.9 | Very low | 141 Ų | 141 | 142.6 Ų | 142.6 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | trans | -74.3 | -179.7 | 157.9 | -70.3 | -37.8 | 0 | 0 | 0 | 109.3 | | |
| 79 | S | 27.8 | Very low | 30.8 | Very low | 125 Ų | 125 | 142.2 Ų | 142.2 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | 83.6 | 156.5 | 169.1 | 85.7 | 0 | 0 | 0 | 0 | 116.9 | | |
| 80 | S | 29.9 | Very low | 30.6 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | | | cis | -171.4 | 163 | -33.5 | -172.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 81 | T | 32.3 | Very low | 30.3 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | | | trans | 75.6 | 130.2 | 150.8 | -48.4 | 0 | 0 | 0 | 0 | 119 | | |
| 82 | F | 30.5 | Very low | 29.7 | Very low | 188 Ų | 188 | 144.5 Ų | 144.5 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | trans | -43.8 | 150 | 166.9 | -60.3 | -101.3 | 0 | 0 | 0 | 116.3 | | |
| 83 | P | 38.5 | Very low | 29.6 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | | | trans | -78.8 | 131.4 | 144.6 | 33 | -28.6 | 0 | 0 | 0 | 110.5 | | |
| 84 | S | 26.3 | Very low | 29.7 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | | | trans | -106.4 | 150.2 | 167.8 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 85 | I | 35.3 | Very low | 29.6 | Very low | 153 Ų | 153 | 143 Ų | 143 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | -115.8 | 106.5 | -170.6 | -51.7 | 169.3 | 0 | 0 | 0 | 109.8 | | |
| 86 | H | 30.3 | Very low | 29.6 | Very low | 175 Ų | 175 | 141.5 Ų | 141.5 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | | | trans | -162.4 | 126.4 | 167.5 | -91.9 | -61.4 | 0 | 0 | 0 | 114.6 | | |
| 87 | Y | 26.5 | Very low | 31.2 | Very low | 213 Ų | 213 | 140.7 Ų | 140.7 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | | | trans | 160 | 156.1 | 146.7 | -92.5 | -50.8 | 0 | 0 | 0 | 108.9 | | |
| 88 | N | 28.3 | Very low | 32.4 | Very low | 124 Ų | 124 | 141 Ų | 141 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | | | cis | -148 | 135.5 | -5.8 | -126.7 | -25.6 | 0 | 0 | 0 | 106.4 | | |
| 89 | S | 27.8 | Very low | 32.5 | Very low | 97 Ų | 97 | 137.9 Ų | 137.9 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | | | | 58.9 | 127.5 | 91.4 | -164.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 90 | Y | 27.2 | Very low | 32.6 | Very low | 230 Ų | 230 | 139.5 Ų | 139.5 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | | | trans | -162.7 | 154.1 | 147.1 | -120 | -77.4 | 0 | 0 | 0 | 112.4 | | |
| 91 | D | 29.1 | Very low | 32.6 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 66% | 0.658 | 77% | 0.77 | S | S | * | * | | | trans | -159.7 | 171.1 | -175.5 | -146.7 | 8.6 | 0 | 0 | 0 | 107.8 | | |
| 92 | Q | 32.2 | Very low | 32.7 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | | | cis | -157.7 | -156.3 | 8.5 | -157.8 | 174.7 | 96.4 | 0 | 0 | 108.7 | | |
| 93 | S | 31 | Very low | 32.6 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | | | trans | 79.4 | 149.2 | 168.2 | 90 | 0 | 0 | 0 | 0 | 118.1 | | |
| 94 | D | 27.7 | Very low | 32.2 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | | | cis | -156.2 | 170.8 | 18 | -147.6 | -12.8 | 0 | 0 | 0 | 116.1 | | |
| 95 | F | 28.9 | Very low | 32.5 | Very low | 185 Ų | 185 | 137 Ų | 137 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | trans | 74.7 | 170.9 | 164.2 | -84.8 | -83.9 | 0 | 0 | 0 | 123.1 | | |
| 96 | S | 28.1 | Very low | 32.5 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | trans | -152.8 | 173.9 | -156.5 | -103.8 | 0 | 0 | 0 | 0 | 115 | | |
| 97 | P | 63 | Low | 32.8 | Very low | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | | | trans | -102.7 | -172.7 | -152.4 | 44.3 | -41.2 | 0 | 0 | 0 | 115.4 | | |
| 98 | P | 52.5 | Low | 32.9 | Very low | 132 Ų | 132 | 125.2 Ų | 125.2 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | | | | -146.9 | 178.7 | 84.5 | 39.6 | -21.4 | 0 | 0 | 0 | 115.7 | | |
| 99 | G | 29.7 | Very low | 33.1 | Very low | 76 Ų | 76 | 126.3 Ų | 126.3 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | | | trans | 174 | 104.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 100 | D | 29.5 | Very low | 33.3 | Very low | 158 Ų | 158 | 130.6 Ų | 130.6 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | -63.1 | 156.5 | -165.5 | -55.9 | -62.6 | 0 | 0 | 0 | 120.4 | | |
| 101 | S | 30.8 | Very low | 33.6 | Very low | 101 Ų | 101 | 123.1 Ų | 123.1 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | | 131.3 | 111.2 | 124.6 | -71.7 | 0 | 0 | 0 | 0 | 119.5 | | |
| 102 | I | 32.7 | Very low | 33.8 | Very low | 166 Ų | 166 | 122.7 Ų | 122.7 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | | | trans | 66.6 | 114.6 | 131.3 | -55.4 | 171.8 | 0 | 0 | 0 | 118.6 | | |
| 103 | G | 29.2 | Very low | 33.7 | Very low | 77 Ų | 77 | 118.3 Ų | 118.3 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | | | trans | -90.2 | -159.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 104 | G | 30.3 | Very low | 33.8 | Very low | 71 Ų | 71 | 118 Ų | 118 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | | | trans | 156.6 | 81.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 105 | I | 31.8 | Very low | 34 | Very low | 177 Ų | 177 | 114.6 Ų | 114.6 | 91% | 0.908 | 76% | 0.756 | S | S | * | * | | | trans | 29.9 | 110.6 | 146.9 | 52.3 | 162.7 | 0 | 0 | 0 | 122.3 | | |
| 106 | G | 35.8 | Very low | 34.3 | Very low | 74 Ų | 74 | 113.3 Ų | 113.3 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | | | trans | 83.9 | 164.5 | 132.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 107 | T | 35.9 | Very low | 34.7 | Very low | 150 Ų | 150 | 111.3 Ų | 111.3 | 92% | 0.92 | 75% | 0.752 | S | S | * | * | | | cis | -154.9 | 156.2 | -9.9 | 44.6 | 0 | 0 | 0 | 0 | 111 | | |
| 108 | G | 30.3 | Very low | 33.5 | Very low | 70 Ų | 70 | 114.1 Ų | 114.1 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | | | trans | 104.3 | 140.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 109 | T | 32.1 | Very low | 32.5 | Very low | 147 Ų | 147 | 112.9 Ų | 112.9 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | | | cis | -149.7 | 153.4 | -0.2 | 11.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 110 | M | 32.5 | Very low | 33.3 | Very low | 187 Ų | 187 | 115.6 Ų | 115.6 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | | | trans | -54.7 | 160.2 | 169.9 | -48.7 | -62.6 | -151.8 | 0 | 0 | 112.3 | | |
| 111 | G | 33.3 | Very low | 33.9 | Very low | 74 Ų | 74 | 111.8 Ų | 111.8 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | | | cis | 168.1 | 169.2 | -2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 112 | T | 32.8 | Very low | 34.2 | Very low | 113 Ų | 113 | 116 Ų | 116 | 69% | 0.693 | 78% | 0.775 | S | S | * | * | | | trans | -70.2 | 128.1 | -176.9 | 42.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 113 | S | 30.1 | Very low | 34.3 | Very low | 67 Ų | 67 | 112.4 Ų | 112.4 | 47% | 0.469 | 77% | 0.769 | S | S | . | * | | | trans | 52.5 | -177.9 | 140.4 | 56.1 | 0 | 0 | 0 | 0 | 117.8 | A139 T140 | S113-A139 VanDerWaalsContact CB-O 3.31Å; S113-A139 WeakPolarHBondContact CB-O 3.15Å; S113-A139 PolarHBondContact OG-O 3.23Å; S113-T140 PolarHBondContact OG-OG1 2.83Å |
| 114 | L | 32.3 | Very low | 34.7 | Very low | 97 Ų | 97 | 117.1 Ų | 117.1 | 51% | 0.508 | 77% | 0.773 | S | S | . | * | | | | -157 | 165.8 | 52.5 | -60 | 117.5 | 0 | 0 | 0 | 111.5 | G137 S138 A139 | L114-G137 VanDerWaalsContact CB-O 3.27Å; L114-G137 WeakPolarHBondContact CB-O 3.25Å; L114-S138 WeakPolarHBondContact CD2-OG 3.42Å; L114-A139 VanDerWaalsContact CD2-O 3.25Å; L114-A139 WeakPolarHBondContact CD2-O 3.34Å |
| 115 | S | 32.6 | Very low | 35 | Very low | 57 Ų | 57 | 119.1 Ų | 119.1 | 40% | 0.399 | 78% | 0.775 | S | S | . | * | | | trans | -76.2 | 179.6 | -161.1 | -156.8 | 0 | 0 | 0 | 0 | 122.4 | G137 S138 | S115-G137 CarbonylContact O-C 3.59Å; S115-G137 WeakPolarHBondContact O-CA 3.15Å; S115-G137 PolarHBondContact O-N 3.26Å; S115-S138 WeakPolarHBondContact CB-O 3.29Å; S115-S138 VanDerWaalsContact N-C 3.33Å; S115-S138 PolarHBondContact O-N 2.9Å |
| 116 | M | 35.6 | Very low | 35 | Very low | 158 Ų | 158 | 114 Ų | 114 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | | | trans | 72.4 | 137.8 | 159.5 | -74.1 | 168.3 | 64.8 | 0 | 0 | 119.4 | | |
| 117 | G | 35.5 | Very low | 34.8 | Very low | 72 Ų | 72 | 118.9 Ų | 118.9 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | | | trans | 179.9 | -44.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 118 | M | 38.4 | Very low | 34.6 | Very low | 172 Ų | 172 | 118.1 Ų | 118.1 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | | | trans | 68.8 | 158.9 | -171.8 | -61.9 | -164 | -96.3 | 0 | 0 | 119.4 | | |
| 119 | A | 32.3 | Very low | 34.5 | Very low | 106 Ų | 106 | 118.2 Ų | 118.2 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | | | trans | 76.9 | 141.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 120 | S | 45.2 | Very low | 34.9 | Very low | 134 Ų | 134 | 122.5 Ų | 122.5 | 94% | 0.937 | 78% | 0.776 | S | S | * | * | | | trans | -117.3 | 145.4 | -178.9 | -55.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 121 | G | 41.9 | Very low | 35.1 | Very low | 78 Ų | 78 | 119.9 Ų | 119.9 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | 170.7 | 143.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 122 | M | 37.9 | Very low | 36.1 | Very low | 190 Ų | 190 | 121.7 Ų | 121.7 | 94% | 0.936 | 77% | 0.769 | S | S | * | * | | | trans | -143.2 | 134 | 177.4 | -138.9 | -174.2 | -166.4 | 0 | 0 | 112.4 | | |
| 123 | A | 34.3 | Very low | 36.2 | Very low | 89 Ų | 89 | 124.5 Ų | 124.5 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | | | trans | 59.2 | 121.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 124 | M | 38.1 | Very low | 36.2 | Very low | 177 Ų | 177 | 128.4 Ų | 128.4 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | | | | -160 | 164.1 | 91.6 | -96.9 | -61.5 | -95.5 | 0 | 0 | 112.7 | | |
| 125 | S | 37 | Very low | 36 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | | | trans | -73.2 | 152.9 | -164.3 | -45.7 | 0 | 0 | 0 | 0 | 116.7 | | |
| 126 | G | 30.3 | Very low | 36.1 | Very low | 69 Ų | 69 | 131.8 Ų | 131.8 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | | | trans | 129.8 | 115.1 | 136.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 127 | L | 33.1 | Very low | 36.2 | Very low | 177 Ų | 177 | 125.8 Ų | 125.8 | 93% | 0.927 | 80% | 0.795 | S | S | * | * | | | trans | 58.9 | 111.6 | 148.1 | -57.8 | 171.6 | 0 | 0 | 0 | 120.2 | | |
| 128 | S | 30.4 | Very low | 36.1 | Very low | 133 Ų | 133 | 126.1 Ų | 126.1 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | | | trans | 62.3 | 97.5 | 145.9 | -156.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 129 | G | 29.9 | Very low | 36.1 | Very low | 73 Ų | 73 | 119.8 Ų | 119.8 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | | | trans | 141.2 | 122.3 | 146.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 130 | R | 39.3 | Very low | 36.5 | Very low | 237 Ų | 237 | 119.2 Ų | 119.2 | 89% | 0.894 | 75% | 0.747 | S | S | * | * | | | trans | 69 | 99.5 | 152.3 | -79.7 | -176.7 | 154.9 | -166.2 | -8.3 | 122 | | |
| 131 | T | 37.8 | Very low | 35.8 | Very low | 132 Ų | 132 | 120.3 Ų | 120.3 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | | | | 74.5 | 153 | 128.7 | 43.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 132 | P | 54.6 | Low | 35.1 | Very low | 112 Ų | 112 | 121.1 Ų | 121.1 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | | | | -135.2 | -171.2 | -125.4 | 47 | -33.2 | 0 | 0 | 0 | 118.4 | | |
| 133 | M | 34.7 | Very low | 34.8 | Very low | 172 Ų | 172 | 120.4 Ų | 120.4 | 85% | 0.847 | 73% | 0.728 | S | S | * | * | | | trans | 110 | 116.3 | 146.2 | -87 | 175.9 | 60.4 | 0 | 0 | 122.7 | | |
| 134 | I | 29.1 | Very low | 34.5 | Very low | 149 Ų | 149 | 125.3 Ų | 125.3 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | | | trans | -55.3 | 175.1 | 151.8 | 57.4 | 175.6 | 0 | 0 | 0 | 114 | | |
| 135 | T | 29.3 | Very low | 34 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | | | cis | -158.8 | 177.6 | 15 | -143.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 136 | S | 32.9 | Very low | 33.5 | Very low | 98 Ų | 98 | 124.4 Ų | 124.4 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | | | trans | -78.1 | 170 | -178.3 | -17.6 | 0 | 0 | 0 | 0 | 118 | | |
| 137 | G | 37.8 | Very low | 33.4 | Very low | 32 Ų | 32 | 129.5 Ų | 129.5 | 33% | 0.33 | 73% | 0.729 | S | S | . | * | | | trans | 119.3 | 68.5 | 132.1 | 0 | 0 | 0 | 0 | 0 | 122.6 | L114 S115 | L114-G137 VanDerWaalsContact CB-O 3.27Å; L114-G137 WeakPolarHBondContact CB-O 3.25Å; S115-G137 CarbonylContact O-C 3.59Å; S115-G137 WeakPolarHBondContact O-CA 3.15Å; S115-G137 PolarHBondContact O-N 3.26Å |
| 138 | S | 33.8 | Very low | 33.2 | Very low | 80 Ų | 80 | 126.9 Ų | 126.9 | 56% | 0.559 | 72% | 0.715 | S | S | * | * | | | trans | -125 | 78.6 | -178.7 | -75 | 0 | 0 | 0 | 0 | 124.3 | L114 S115 | L114-S138 WeakPolarHBondContact CD2-OG 3.42Å; S115-S138 WeakPolarHBondContact CB-O 3.29Å; S115-S138 VanDerWaalsContact N-C 3.33Å; S115-S138 PolarHBondContact O-N 2.9Å |
| 139 | A | 38.6 | Very low | 33 | Very low | 38 Ų | 38 | 125.4 Ų | 125.4 | 31% | 0.314 | 69% | 0.694 | S | S | . | * | | | trans | -169.5 | 155.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | S113 L114 | S113-A139 VanDerWaalsContact CB-O 3.31Å; S113-A139 WeakPolarHBondContact CB-O 3.15Å; S113-A139 PolarHBondContact OG-O 3.23Å; L114-A139 VanDerWaalsContact CD2-O 3.25Å; L114-A139 WeakPolarHBondContact CD2-O 3.34Å |
| 140 | T | 40.1 | Very low | 33 | Very low | 95 Ų | 95 | 126.7 Ų | 126.7 | 58% | 0.583 | 69% | 0.687 | S | S | * | * | | | trans | 52.9 | 129.2 | 172.7 | 57.8 | 0 | 0 | 0 | 0 | 118.2 | S113 | S113-T140 PolarHBondContact OG-OG1 2.83Š|
| 141 | I | 31.6 | Very low | 33.7 | Very low | 156 Ų | 156 | 118.5 Ų | 118.5 | 80% | 0.8 | 67% | 0.665 | S | S | * | * | | | cis | -153.3 | 161.4 | 15.4 | -124 | 164.8 | 0 | 0 | 0 | 112.1 | | |
| 142 | S | 26.3 | Very low | 33.8 | Very low | 96 Ų | 96 | 116.4 Ų | 116.4 | 67% | 0.671 | 65% | 0.653 | S | S | * | * | | | trans | 58 | 120.6 | 163 | -72.1 | 0 | 0 | 0 | 0 | 124.7 | | |
| 143 | H | 32.7 | Very low | 32.6 | Very low | 174 Ų | 174 | 115.7 Ų | 115.7 | 81% | 0.806 | 65% | 0.651 | S | S | * | * | | | trans | 17.4 | 132.9 | 139.8 | -50.5 | -83.5 | 0 | 0 | 0 | 123.1 | | |
| 144 | H | 27.8 | Very low | 32.5 | Very low | 192 Ų | 192 | 113.1 Ų | 113.1 | 89% | 0.889 | 64% | 0.64 | S | S | * | * | | | | -171 | 171.3 | 109.2 | 55.5 | -84.3 | 0 | 0 | 0 | 114.2 | | |
| 145 | M | 26.4 | Very low | 32.9 | Very low | 162 Ų | 162 | 112.4 Ų | 112.4 | 80% | 0.798 | 64% | 0.637 | S | S | * | * | | | trans | -68.9 | 156.1 | -171.3 | -64.6 | -97.8 | 175.9 | 0 | 0 | 115 | | |
| 146 | T | 27.9 | Very low | 32.7 | Very low | 109 Ų | 109 | 112 Ų | 112 | 67% | 0.669 | 63% | 0.63 | S | S | * | * | | | | 173.6 | 156.3 | 75.8 | 34.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 147 | K | 27 | Very low | 32.4 | Very low | 177 Ų | 177 | 115.5 Ų | 115.5 | 77% | 0.77 | 63% | 0.633 | S | S | * | * | | | trans | 66.4 | 156.7 | 149.2 | -70.3 | 166 | -178 | 175.4 | 0 | 118.3 | | |
| 148 | N | 28.5 | Very low | 31.9 | Very low | 121 Ų | 121 | 120 Ų | 120 | 65% | 0.647 | 65% | 0.646 | S | S | * | * | | | cis | -160.5 | 149 | -9.3 | -116.7 | -5.3 | 0 | 0 | 0 | 113.6 | | |
| 149 | Q | 27.9 | Very low | 31.9 | Very low | 103 Ų | 103 | 123.8 Ų | 123.8 | 48% | 0.481 | 65% | 0.652 | S | S | . | * | | | trans | 63.3 | 131 | 143.1 | -63.4 | -178.1 | 17.7 | 0 | 0 | 125.6 | | |
| 150 | T | 29.3 | Very low | 31.4 | Very low | 99 Ų | 99 | 131 Ų | 131 | 61% | 0.607 | 68% | 0.68 | S | S | * | * | | | trans | -57 | -174.2 | 160 | 53.1 | 0 | 0 | 0 | 0 | 117.6 | | |
| 151 | P | 52.8 | Low | 31.4 | Very low | 66 Ų | 66 | 134.2 Ų | 134.2 | 43% | 0.429 | 69% | 0.692 | S | S | . | * | | | cis | -138.1 | -171.5 | -44.4 | 41.9 | -24 | 0 | 0 | 0 | 112.1 | V868 | P151-V868 HydrophobicContact CG-CG2 4.36Š|
| 152 | P | 41.8 | Very low | 31.7 | Very low | 88 Ų | 88 | 133 Ų | 133 | 57% | 0.571 | 70% | 0.695 | S | S | * | * | | | | -152.6 | 162.6 | 87.3 | 47 | -28.5 | 0 | 0 | 0 | 114.7 | | |
| 153 | S | 29.2 | Very low | 31.9 | Very low | 96 Ų | 96 | 132 Ų | 132 | 67% | 0.671 | 70% | 0.699 | S | S | * | * | | | | 53.4 | 149.9 | 102.1 | 95.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 154 | L | 32.3 | Very low | 32 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 62% | 0.618 | 70% | 0.699 | S | S | * | * | | | cis | -174 | 169.7 | 9.9 | -135.4 | 170.9 | 0 | 0 | 0 | 108.4 | | |
| 155 | L | 36.5 | Very low | 32.2 | Very low | 135 Ų | 135 | 129.8 Ų | 129.8 | 71% | 0.707 | 70% | 0.7 | S | S | * | * | | | trans | 68.9 | 152.3 | 166.5 | -51.4 | 172.5 | 0 | 0 | 0 | 116.4 | | |
| 156 | D | 25.8 | Very low | 32.4 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 63% | 0.631 | 71% | 0.705 | S | S | * | * | | | cis | -159.3 | 177.9 | -17.4 | -116 | -0.5 | 0 | 0 | 0 | 113.8 | | |
| 157 | F | 26.8 | Very low | 32.7 | Very low | 170 Ų | 170 | 128.3 Ų | 128.3 | 75% | 0.746 | 71% | 0.709 | S | S | * | * | | | trans | -17.4 | 162.1 | 151.7 | -62.2 | -74.7 | 0 | 0 | 0 | 118.5 | | |
| 158 | E | 27.8 | Very low | 32.8 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 59% | 0.593 | 72% | 0.717 | S | S | * | * | | | cis | -174.3 | 174.1 | -14.8 | 172.9 | 166.1 | -173.5 | 0 | 0 | 107.2 | | |
| 159 | K | 33.7 | Very low | 32.9 | Very low | 160 Ų | 160 | 129.5 Ų | 129.5 | 70% | 0.696 | 72% | 0.722 | S | S | * | * | | | trans | -23.5 | 133.4 | 164.2 | -47.4 | 154.3 | -169.5 | 146.4 | 0 | 115 | | |
| 160 | Q | 27.3 | Very low | 33.2 | Very low | 190 Ų | 190 | 131 Ų | 131 | 89% | 0.888 | 74% | 0.738 | S | S | * | * | | | | -167.9 | 142.2 | 102.6 | -102.8 | 154.7 | 88.6 | 0 | 0 | 113.2 | | |
| 161 | L | 41.3 | Very low | 33.2 | Very low | 162 Ų | 162 | 132.9 Ų | 132.9 | 85% | 0.848 | 74% | 0.744 | S | S | * | * | | | trans | -78.4 | 148.1 | 157.5 | -67 | 166.5 | 0 | 0 | 0 | 107.2 | | |
| 162 | P | 37.5 | Very low | 32.2 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | | | | -152.2 | -177.9 | 78.5 | 40.7 | -22.1 | 0 | 0 | 0 | 115.3 | | |
| 163 | G | 29.8 | Very low | 31.4 | Very low | 74 Ų | 74 | 142.6 Ų | 142.6 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | | | trans | 133.9 | 76.5 | 155 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 164 | G | 34.3 | Very low | 31.4 | Very low | 79 Ų | 79 | 147 Ų | 147 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | | | trans | -74.8 | 143.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 165 | R | 32.7 | Very low | 31.2 | Very low | 241 Ų | 241 | 153.1 Ų | 153.1 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | | | trans | -144.7 | 129.5 | 164.1 | -68.9 | -170.3 | 179.2 | -86 | -3.8 | 109.5 | | |
| 166 | D | 30.6 | Very low | 30.8 | Very low | 168 Ų | 168 | 152.7 Ų | 152.7 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | | | trans | -70.4 | 150.5 | 179.9 | -57.7 | -79.2 | 0 | 0 | 0 | 113 | | |
| 167 | G | 34.3 | Very low | 30.9 | Very low | 72 Ų | 72 | 152.7 Ų | 152.7 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | | | trans | -160 | 100.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S169 | G167-S169 PolarHBondContact O-N 2.6Š|
| 168 | F | 28.7 | Very low | 31.1 | Very low | 215 Ų | 215 | 149.5 Ų | 149.5 | 94% | 0.943 | 82% | 0.816 | S | S | * | * | | | trans | -61 | 132.2 | 178.6 | -84.7 | -108 | 0 | 0 | 0 | 111.3 | | |
| 169 | S | 31.1 | Very low | 31.1 | Very low | 107 Ų | 107 | 148.4 Ų | 148.4 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | | | trans | -111.5 | 115.8 | 172.8 | -170.2 | 0 | 0 | 0 | 0 | 110.7 | G167 | G167-S169 PolarHBondContact O-N 2.6Š|
| 170 | T | 33.8 | Very low | 31.2 | Very low | 135 Ų | 135 | 147.7 Ų | 147.7 | 83% | 0.828 | 84% | 0.837 | S | S | * | * | | | trans | -86.9 | 120.3 | 166.7 | 35.2 | 0 | 0 | 0 | 0 | 109.6 | Q172 | T170-Q172 PolarHBondContact O-N 3.1Š|
| 171 | L | 28.7 | Very low | 31.7 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 73% | 0.728 | 83% | 0.833 | S | S | * | * | | | trans | -66 | 118.6 | -175.9 | -72.1 | 167 | 0 | 0 | 0 | 112.4 | F173 | L171-F173 HydrophobicContact CB-CD2 4.33Å; L171-F173 HydrophobicContact CB-CE2 4.22Å; L171-F173 HydrophobicContact CD1-CE2 3.96Å; L171-F173 HydrophobicContact CD1-CZ 4.33Å |
| 172 | Q | 31.4 | Very low | 31 | Very low | 191 Ų | 191 | 140.1 Ų | 140.1 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | | | trans | -92.2 | 111.7 | 152.9 | -72.4 | -166.9 | -6.6 | 0 | 0 | 109.2 | T170 | T170-Q172 PolarHBondContact O-N 3.1Š|
| 173 | F | 26.6 | Very low | 31 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 73% | 0.728 | 83% | 0.833 | S | S | * | * | | | trans | -80.1 | 123.6 | 169.6 | -83.7 | -85.6 | 0 | 0 | 0 | 110.5 | L171 | L171-F173 HydrophobicContact CB-CD2 4.33Å; L171-F173 HydrophobicContact CB-CE2 4.22Å; L171-F173 HydrophobicContact CD1-CE2 3.96Å; L171-F173 HydrophobicContact CD1-CZ 4.33Å |
| 174 | H | 28 | Very low | 31.3 | Very low | 189 Ų | 189 | 148.8 Ų | 148.8 | 88% | 0.875 | 84% | 0.836 | S | S | * | * | | | trans | -124.6 | 140.3 | 147.8 | -94.8 | 48.1 | 0 | 0 | 0 | 108.2 | | |
| 175 | R | 29.6 | Very low | 31.7 | Very low | 246 Ų | 246 | 155.9 Ų | 155.9 | 93% | 0.928 | 84% | 0.838 | S | S | * | * | | | trans | -120.4 | 101.4 | -158.8 | -168.6 | -173 | -165.5 | -159.3 | 6.8 | 111.5 | | |
| 176 | T | 28.2 | Very low | 31.8 | Very low | 126 Ų | 126 | 150.6 Ų | 150.6 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | | | trans | -114.7 | 140.5 | 174.8 | 36 | 0 | 0 | 0 | 0 | 112.3 | | |
| 177 | S | 26.8 | Very low | 32.7 | Very low | 118 Ų | 118 | 148 Ų | 148 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | | | trans | 42.1 | 91 | 155 | 55.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 178 | A | 30.6 | Very low | 33.2 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | trans | -148.4 | 120.1 | 145 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 179 | A | 27.5 | Very low | 34.7 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -143.3 | 50.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 180 | V | 35.9 | Very low | 36.6 | Very low | 145 Ų | 145 | 137 Ų | 137 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | | | trans | -140.8 | 123.6 | 174.7 | -177.2 | 0 | 0 | 0 | 0 | 106.2 | | |
| 181 | A | 37.7 | Very low | 38.4 | Very low | 97 Ų | 97 | 139 Ų | 139 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | | | cis | -149 | 166.5 | -8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 182 | A | 27.8 | Very low | 40.5 | Very low | 96 Ų | 96 | 136 Ų | 136 | 79% | 0.793 | 74% | 0.737 | S | S | * | * | | | trans | -128.3 | 141.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 183 | K | 36.7 | Very low | 42.8 | Very low | 208 Ų | 208 | 133.7 Ų | 133.7 | 90% | 0.904 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -75.3 | 143.7 | 170.7 | -79.1 | -178.6 | 175.7 | 176.8 | 0 | 109.7 | | |
| 184 | Q | 36 | Very low | 45.2 | Very low | 179 Ų | 179 | 134.1 Ų | 134.1 | 84% | 0.836 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 70.4 | 143.7 | 174.9 | -67.3 | -66.2 | -12.7 | 0 | 0 | 117.1 | | |
| 185 | R | 42.6 | Very low | 47.7 | Very low | 228 Ų | 228 | 130 Ų | 130 | 86% | 0.86 | 70% | 0.7 | S | S | * | * | | | trans | 46.8 | 92.7 | 178.2 | -73.9 | -170.6 | 166.4 | 100.5 | -0.8 | 117.1 | | |
| 186 | T | 34.5 | Very low | 50.2 | Low | 130 Ų | 130 | 123 Ų | 123 | 80% | 0.798 | 68% | 0.68 | S | S | * | * | | | | -134.6 | 108.7 | 107.6 | 45.4 | 0 | 0 | 0 | 0 | 110.7 | S188 | T186-S188 PolarHBondContact O-N 2.88Š|
| 187 | D | 49.6 | Very low | 52.5 | Low | 115 Ų | 115 | 122.3 Ų | 122.3 | 62% | 0.615 | 67% | 0.668 | S | S | * | * | | | trans | -62 | 97.9 | 143.5 | -100.8 | -65.7 | 0 | 0 | 0 | 106 | P189 I192 | D187-P189 WeakPolarHBondContact O-CD 3.15Å; D187-I192 HydrophobicContact CB-CD1 3.76Å; D187-I192 HydrophobicContact CB-CG1 4.35Å |
| 188 | S | 45.8 | Very low | 55.2 | Low | 45 Ų | 45 | 119.4 Ų | 119.4 | 32% | 0.315 | 65% | 0.648 | S | S | . | * | | | trans | -65.2 | 131.1 | -173.7 | 84.9 | 0 | 0 | 0 | 0 | 108.7 | T186 G190 R191 I192 | T186-S188 PolarHBondContact O-N 2.88Å; S188-G190 CarbonylContact O-C 3.48Å; S188-G190 PolarHBondContact O-N 3.23Å; S188-R191 PolarHBondContact O-N 2.93Å; S188-R191 WeakPolarHBondContact OG-CB 3.27Å; S188-R191 PolarHBondContact OG-N 2.71Å; S188-I192 PolarHBondContact O-N 2.87Å |
| 189 | P | 60.3 | Low | 57.8 | Low | 86 Ų | 86 | 118.2 Ų | 118.2 | 56% | 0.558 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -59.4 | -17.5 | 176.5 | -27.2 | 36 | 0 | 0 | 0 | 112.7 | D187 R193 | D187-P189 WeakPolarHBondContact O-CD 3.15Å; P189-R193 VanDerWaalsContact O-CB 3.24Å; P189-R193 WeakPolarHBondContact O-CB 3.32Å; P189-R193 WeakPolarHBondContact O-CG 3.44Å; P189-R193 PolarHBondContact O-N 2.93Å; P189-R193 PolarHBondContact O-NE 3.23Å |
| 190 | G | 71.1 | Confident | 60.1 | Low | 31 Ų | 31 | 118.6 Ų | 118.6 | 32% | 0.32 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.3 | -54.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S188 R193 Y194 | S188-G190 CarbonylContact O-C 3.48Å; S188-G190 PolarHBondContact O-N 3.23Å; G190-R193 PolarHBondContact O-N 3.19Å; G190-Y194 WeakPolarHBondContact O-CB 3.37Å; G190-Y194 PolarHBondContact O-N 2.96Å |
| 191 | R | 70.3 | Confident | 61.8 | Low | 178 Ų | 178 | 118.7 Ų | 118.7 | 67% | 0.672 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64 | -42.3 | -178.2 | -165.6 | 179.8 | -65.9 | -111.6 | 3.1 | 112.1 | S188 Y194 M195 | S188-R191 PolarHBondContact O-N 2.93Å; S188-R191 WeakPolarHBondContact OG-CB 3.27Å; S188-R191 PolarHBondContact OG-N 2.71Å; R191-Y194 PolarHBondContact O-N 3.4Å; R191-M195 WeakPolarHBondContact O-CG 3.49Å; R191-M195 PolarHBondContact O-N 3.35Å |
| 192 | I | 73.4 | Confident | 63.4 | Low | 75 Ų | 75 | 120 Ų | 120 | 39% | 0.385 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.6 | -46 | 173.5 | -70.2 | -176.7 | 0 | 0 | 0 | 111.2 | D187 S188 Y194 M195 L196 | D187-I192 HydrophobicContact CB-CD1 3.76Å; D187-I192 HydrophobicContact CB-CG1 4.35Å; S188-I192 PolarHBondContact O-N 2.87Å; I192-Y194 VanDerWaalsContact C-N 3.32Å; I192-Y194 PolarHBondContact O-N 2.88Å; I192-M195 HydrophobicContact CG1-CE 4.16Å; I192-M195 PolarHBondContact O-N 2.9Å; I192-L196 VanDerWaalsContact O-CB 3.28Å; I192-L196 WeakPolarHBondContact O-CB 3.5Å; I192-L196 PolarHBondContact O-N 3.45Å |
| 193 | R | 79.6 | Confident | 65.2 | Low | 142 Ų | 142 | 122.3 Ų | 122.3 | 54% | 0.536 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.9 | -36.1 | 176.9 | -76.7 | 180 | -67 | -169 | 2.1 | 112.5 | P189 G190 H197 Y324 | P189-R193 VanDerWaalsContact O-CB 3.24Å; P189-R193 WeakPolarHBondContact O-CB 3.32Å; P189-R193 WeakPolarHBondContact O-CG 3.44Å; P189-R193 PolarHBondContact O-N 2.93Å; P189-R193 PolarHBondContact O-NE 3.23Å; G190-R193 PolarHBondContact O-N 3.19Å; R193-H197 WeakPolarHBondContact O-CB 3.38Å; R193-H197 PolarHBondContact O-N 3.01Å; R193-Y324 PolarHBondContact NH1-OH 3.4Å |
| 194 | Y | 76.9 | Confident | 66.1 | Low | 175 Ų | 175 | 116 Ų | 116 | 69% | 0.686 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.3 | -45.6 | 173.6 | -101.9 | -88.3 | 0 | 0 | 0 | 112.3 | G190 R191 I192 S198 | G190-Y194 WeakPolarHBondContact O-CB 3.37Å; G190-Y194 PolarHBondContact O-N 2.96Å; R191-Y194 PolarHBondContact O-N 3.4Å; I192-Y194 VanDerWaalsContact C-N 3.32Å; I192-Y194 PolarHBondContact O-N 2.88Å; Y194-S198 VanDerWaalsContact O-CB 3.29Å; Y194-S198 WeakPolarHBondContact O-CB 3.24Å; Y194-S198 PolarHBondContact O-N 3.33Å; Y194-S198 PolarHBondContact O-OG 2.86Å; Y194-S198 VanDerWaalsContact O-OG 3.11Å |
| 195 | M | 80.8 | Confident | 66.7 | Low | 103 Ų | 103 | 114.9 Ų | 114.9 | 51% | 0.507 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.7 | -45.8 | 174.6 | -69.7 | -172.7 | -60.6 | 0 | 0 | 111.3 | R191 I192 S198 V199 | R191-M195 WeakPolarHBondContact O-CG 3.49Å; R191-M195 PolarHBondContact O-N 3.35Å; I192-M195 HydrophobicContact CG1-CE 4.16Å; I192-M195 PolarHBondContact O-N 2.9Å; M195-S198 PolarHBondContact O-N 3.47Å; M195-V199 WeakPolarHBondContact O-CB 3.29Å; M195-V199 VanDerWaalsContact O-CG2 3.26Å; M195-V199 WeakPolarHBondContact O-CG2 3.34Å; M195-V199 PolarHBondContact O-N 3.43Å |
| 196 | L | 81.9 | Confident | 66.8 | Low | 98 Ų | 98 | 107.5 Ų | 107.5 | 51% | 0.513 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68.2 | -37.2 | -178.1 | -161.1 | 137.9 | 0 | 0 | 0 | 112.2 | I192 Q200 | I192-L196 VanDerWaalsContact O-CB 3.28Å; I192-L196 WeakPolarHBondContact O-CB 3.5Å; I192-L196 PolarHBondContact O-N 3.45Å; L196-Q200 HydrophobicContact CD2-CG 4.39Å; L196-Q200 WeakPolarHBondContact O-CB 3.23Å; L196-Q200 VanDerWaalsContact O-CG 3.25Å; L196-Q200 WeakPolarHBondContact O-CG 3.38Å; L196-Q200 PolarHBondContact O-N 2.91Å |
| 197 | H | 76.9 | Confident | 67.3 | Low | 112 Ų | 112 | 109.9 Ų | 109.9 | 52% | 0.519 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.8 | -39.1 | 173.5 | -175.4 | -109.8 | 0 | 0 | 0 | 112.3 | R193 Q200 K201 | R193-H197 WeakPolarHBondContact O-CB 3.38Å; R193-H197 PolarHBondContact O-N 3.01Å; H197-Q200 PolarHBondContact O-N 3.18Å; H197-K201 VanDerWaalsContact O-CB 3.28Å; H197-K201 WeakPolarHBondContact O-CB 3.35Å; H197-K201 PolarHBondContact O-N 3.43Å |
| 198 | S | 83.6 | Confident | 66.9 | Low | 58 Ų | 58 | 109 Ų | 109 | 41% | 0.406 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.5 | -41.7 | 172.5 | -71.6 | 0 | 0 | 0 | 0 | 111.9 | Y194 M195 K201 L202 | Y194-S198 VanDerWaalsContact O-CB 3.29Å; Y194-S198 WeakPolarHBondContact O-CB 3.24Å; Y194-S198 PolarHBondContact O-N 3.33Å; Y194-S198 PolarHBondContact O-OG 2.86Å; Y194-S198 VanDerWaalsContact O-OG 3.11Å; M195-S198 PolarHBondContact O-N 3.47Å; S198-K201 PolarHBondContact O-N 3.13Å; S198-L202 VanDerWaalsContact O-CD1 3.25Å; S198-L202 WeakPolarHBondContact O-CD1 3.41Å; S198-L202 PolarHBondContact O-N 3.05Å |
| 199 | V | 84.9 | Confident | 66.9 | Low | 79 Ų | 79 | 113.6 Ų | 113.6 | 48% | 0.479 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.9 | -44.4 | 173.3 | 168.3 | 0 | 0 | 0 | 0 | 111 | M195 K201 L202 F203 | M195-V199 WeakPolarHBondContact O-CB 3.29Å; M195-V199 VanDerWaalsContact O-CG2 3.26Å; M195-V199 WeakPolarHBondContact O-CG2 3.34Å; M195-V199 PolarHBondContact O-N 3.43Å; V199-K201 VanDerWaalsContact C-N 3.29Å; V199-K201 PolarHBondContact O-N 2.9Å; V199-L202 PolarHBondContact O-N 3.47Å; V199-F203 HydrophobicContact CG1-CD2 3.72Å; V199-F203 HydrophobicContact CG1-CE2 3.82Å; V199-F203 WeakPolarHBondContact O-CD2 3.15Å; V199-F203 PolarHBondContact O-N 2.81Å |
| 200 | Q | 76.8 | Confident | 66 | Low | 111 Ų | 111 | 118.1 Ų | 118.1 | 52% | 0.519 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.1 | -39.6 | 172.2 | -78.4 | 171.9 | -30.5 | 0 | 0 | 112 | L196 H197 F203 A204 | L196-Q200 HydrophobicContact CD2-CG 4.39Å; L196-Q200 WeakPolarHBondContact O-CB 3.23Å; L196-Q200 VanDerWaalsContact O-CG 3.25Å; L196-Q200 WeakPolarHBondContact O-CG 3.38Å; L196-Q200 PolarHBondContact O-N 2.91Å; H197-Q200 PolarHBondContact O-N 3.18Å; Q200-F203 PolarHBondContact O-N 2.98Å; Q200-A204 VanDerWaalsContact O-CB 3.27Å; Q200-A204 WeakPolarHBondContact O-CB 3.25Å; Q200-A204 PolarHBondContact O-N 2.93Å |
| 201 | K | 71.5 | Confident | 64.3 | Low | 146 Ų | 146 | 121.1 Ų | 121.1 | 64% | 0.635 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.2 | -32.9 | 177.7 | -163.3 | 171.8 | -176.3 | 179.7 | 0 | 112.3 | H197 S198 V199 K205 | H197-K201 VanDerWaalsContact O-CB 3.28Å; H197-K201 WeakPolarHBondContact O-CB 3.35Å; H197-K201 PolarHBondContact O-N 3.43Å; S198-K201 PolarHBondContact O-N 3.13Å; V199-K201 VanDerWaalsContact C-N 3.29Å; V199-K201 PolarHBondContact O-N 2.9Å; K201-K205 VanDerWaalsContact O-CB 3.27Å; K201-K205 WeakPolarHBondContact O-CB 3.44Å; K201-K205 PolarHBondContact O-N 2.98Å; K201-K205 VanDerWaalsContact O-N 3.14Å |
| 202 | L | 71 | Confident | 62.6 | Low | 125 Ų | 125 | 121.4 Ų | 121.4 | 65% | 0.654 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.1 | -53.3 | 167.1 | -96.8 | 83.3 | 0 | 0 | 0 | 111 | S198 V199 A204 K205 S206 | S198-L202 VanDerWaalsContact O-CD1 3.25Å; S198-L202 WeakPolarHBondContact O-CD1 3.41Å; S198-L202 PolarHBondContact O-N 3.05Å; V199-L202 PolarHBondContact O-N 3.47Å; L202-A204 VanDerWaalsContact C-N 3.32Å; L202-A204 PolarHBondContact O-N 3.23Å; L202-K205 CarbonylContact O-C 3.56Å; L202-K205 PolarHBondContact O-N 3.4Å; L202-K205 VanDerWaalsContact O-N 3.09Å; L202-S206 WeakPolarHBondContact O-CB 3.02Å; L202-S206 PolarHBondContact O-N 3.29Å; L202-S206 PolarHBondContact O-OG 3.47Å |
| 203 | F | 65.8 | Low | 60.5 | Low | 145 Ų | 145 | 125.3 Ų | 125.3 | 64% | 0.636 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.6 | -33.8 | -178 | -87.3 | -74.1 | 0 | 0 | 0 | 113.7 | V199 Q200 S206 | V199-F203 HydrophobicContact CG1-CD2 3.72Å; V199-F203 HydrophobicContact CG1-CE2 3.82Å; V199-F203 WeakPolarHBondContact O-CD2 3.15Å; V199-F203 PolarHBondContact O-N 2.81Å; Q200-F203 PolarHBondContact O-N 2.98Å; F203-S206 WeakPolarHBondContact CA-OG 3.25Å; F203-S206 PolarHBondContact O-OG 3.37Å |
| 204 | A | 55.8 | Low | 58.2 | Low | 74 Ų | 74 | 127 Ų | 127 | 61% | 0.612 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.8 | -36.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q200 L202 | Q200-A204 VanDerWaalsContact O-CB 3.27Å; Q200-A204 WeakPolarHBondContact O-CB 3.25Å; Q200-A204 PolarHBondContact O-N 2.93Å; L202-A204 VanDerWaalsContact C-N 3.32Å; L202-A204 PolarHBondContact O-N 3.23Å |
| 205 | K | 47.3 | Very low | 56 | Low | 157 Ų | 157 | 127.5 Ų | 127.5 | 68% | 0.683 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -78 | -28 | 178.3 | -160.4 | 172.7 | -176.8 | -174.4 | 0 | 112.5 | K201 L202 S208 | K201-K205 VanDerWaalsContact O-CB 3.27Å; K201-K205 WeakPolarHBondContact O-CB 3.44Å; K201-K205 PolarHBondContact O-N 2.98Å; K201-K205 VanDerWaalsContact O-N 3.14Å; L202-K205 CarbonylContact O-C 3.56Å; L202-K205 PolarHBondContact O-N 3.4Å; L202-K205 VanDerWaalsContact O-N 3.09Å; K205-S208 PolarHBondContact O-N 2.88Å |
| 206 | S | 45.9 | Very low | 53.5 | Low | 73 Ų | 73 | 126.6 Ų | 126.6 | 51% | 0.51 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -77.1 | -18.2 | -179.8 | 70.9 | 0 | 0 | 0 | 0 | 114.5 | L202 F203 S208 | L202-S206 WeakPolarHBondContact O-CB 3.02Å; L202-S206 PolarHBondContact O-N 3.29Å; L202-S206 PolarHBondContact O-OG 3.47Å; F203-S206 WeakPolarHBondContact CA-OG 3.25Å; F203-S206 PolarHBondContact O-OG 3.37Å; S206-S208 VanDerWaalsContact C-N 3.26Å; S206-S208 PolarHBondContact O-N 3.41Å |
| 207 | Q | 44.1 | Very low | 51 | Low | 180 Ų | 180 | 129.2 Ų | 129.2 | 84% | 0.841 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -6.6 | 173.9 | -76.6 | -160.7 | -9.5 | 0 | 0 | 113.8 | | |
| 208 | S | 42.4 | Very low | 48.9 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | 2.8 | -173.2 | -166.6 | 0 | 0 | 0 | 0 | 115.4 | K205 S206 | K205-S208 PolarHBondContact O-N 2.88Å; S206-S208 VanDerWaalsContact C-N 3.26Å; S206-S208 PolarHBondContact O-N 3.41Å |
| 209 | L | 45.2 | Very low | 46.3 | Very low | 140 Ų | 140 | 135 Ų | 135 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -126.8 | -8.8 | -167.7 | -102.7 | 165 | 0 | 0 | 0 | 116.5 | S211 | L209-S211 VanDerWaalsContact C-N 3.31Å; L209-S211 PolarHBondContact O-N 3.36Å |
| 210 | E | 41.3 | Very low | 43.6 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 85% | 0.85 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -94.3 | 35.2 | -177.3 | -164.4 | 50.1 | -103.9 | 0 | 0 | 113.1 | | |
| 211 | S | 34.3 | Very low | 41.5 | Very low | 94 Ų | 94 | 141.9 Ų | 141.9 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -155.4 | 58 | -177.5 | 69.1 | 0 | 0 | 0 | 0 | 115.2 | L209 | L209-S211 VanDerWaalsContact C-N 3.31Å; L209-S211 PolarHBondContact O-N 3.36Å |
| 212 | H | 35.2 | Very low | 39.7 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | | | trans | -177 | 100.5 | 139.2 | -106 | -75.5 | 0 | 0 | 0 | 112.5 | | |
| 213 | N | 29.6 | Very low | 37.9 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | | | trans | -166.3 | 109.8 | 135.3 | -115.3 | -36 | 0 | 0 | 0 | 113.1 | | |
| 214 | M | 30.8 | Very low | 36.3 | Very low | 177 Ų | 177 | 138.1 Ų | 138.1 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | | | trans | -147 | 117.5 | 170.2 | -58 | -72.6 | 160.7 | 0 | 0 | 109.4 | | |
| 215 | K | 32 | Very low | 35.4 | Very low | 187 Ų | 187 | 140.7 Ų | 140.7 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | | | trans | 72.4 | 114.5 | 152.7 | -154.3 | 164.2 | -173.3 | 168.9 | 0 | 118.5 | | |
| 216 | G | 28.1 | Very low | 34.7 | Very low | 84 Ų | 84 | 137 Ų | 137 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | | | trans | -176.7 | 94.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 217 | N | 29.6 | Very low | 34.1 | Very low | 153 Ų | 153 | 137.2 Ų | 137.2 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -125 | 131 | -175.2 | 173.5 | 97.6 | 0 | 0 | 0 | 110.9 | | |
| 218 | V | 32.6 | Very low | 33.7 | Very low | 133 Ų | 133 | 132 Ų | 132 | 81% | 0.806 | 81% | 0.814 | S | S | * | * | | | trans | 177.3 | 153 | 143.4 | 64.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 219 | N | 28.8 | Very low | 33.2 | Very low | 157 Ų | 157 | 133.4 Ų | 133.4 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | | | trans | -80.6 | 160.2 | 178.9 | -53.8 | -21.4 | 0 | 0 | 0 | 113.4 | | |
| 220 | G | 27.7 | Very low | 32.4 | Very low | 74 Ų | 74 | 130.6 Ų | 130.6 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | | | trans | 152.3 | 101.3 | 141.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 221 | R | 31.9 | Very low | 31.9 | Very low | 261 Ų | 261 | 127.8 Ų | 127.8 | 99% | 0.985 | 81% | 0.812 | S | S | * | * | | | trans | 68.1 | 164.5 | 145.7 | -94.1 | 176.5 | 157.5 | -136.7 | -3.7 | 120.7 | | |
| 222 | S | 33.8 | Very low | 31.7 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | | | trans | -117.1 | 157.5 | -163 | 52.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 223 | T | 34.3 | Very low | 31.6 | Very low | 152 Ų | 152 | 123.9 Ų | 123.9 | 93% | 0.933 | 81% | 0.812 | S | S | * | * | | | trans | 162.7 | 149.6 | 137.7 | 34.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 224 | G | 31.6 | Very low | 31.7 | Very low | 82 Ų | 82 | 125 Ų | 125 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | | | trans | 127.3 | 149.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 225 | S | 36.4 | Very low | 31.9 | Very low | 129 Ų | 129 | 124.5 Ų | 124.5 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | | | trans | -152.8 | 163.3 | -175.7 | -170.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 226 | G | 32.3 | Very low | 32.1 | Very low | 78 Ų | 78 | 119 Ų | 119 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | 99.7 | 143.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 227 | G | 34.7 | Very low | 32.3 | Very low | 79 Ų | 79 | 118.7 Ų | 118.7 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | | | cis | 161.2 | 122.5 | -10.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 228 | G | 34.5 | Very low | 32.6 | Very low | 69 Ų | 69 | 120.7 Ų | 120.7 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | | | trans | 73 | 168.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 229 | T | 31.8 | Very low | 32.7 | Very low | 127 Ų | 127 | 123 Ų | 123 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | | | cis | -151.4 | -177.2 | -22.1 | -18.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 230 | S | 28.8 | Very low | 32.7 | Very low | 82 Ų | 82 | 122.8 Ų | 122.8 | 57% | 0.573 | 81% | 0.814 | S | S | * | * | | | trans | -100.9 | 173.1 | -166.3 | 50.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 231 | S | 30.2 | Very low | 33.1 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | | | trans | 71.7 | 125.7 | 159.2 | 51.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 232 | G | 30.4 | Very low | 33 | Very low | 75 Ų | 75 | 129.4 Ų | 129.4 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | | | trans | 172 | 135.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 233 | T | 34.1 | Very low | 32.9 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | | | trans | -99.9 | -177.1 | -179.5 | 34.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 234 | E | 32.2 | Very low | 32.7 | Very low | 178 Ų | 178 | 131.9 Ų | 131.9 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | | | trans | 77.6 | 171.6 | 171 | -64.7 | 123.1 | -98.1 | 0 | 0 | 118.2 | | |
| 235 | D | 35 | Very low | 32.6 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | | | trans | -104.5 | 151.2 | -138.9 | -170 | 13 | 0 | 0 | 0 | 114.6 | | |
| 236 | G | 35.6 | Very low | 32.4 | Very low | 72 Ų | 72 | 134.8 Ų | 134.8 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | trans | 77.8 | 137.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 237 | G | 32.4 | Very low | 32.4 | Very low | 76 Ų | 76 | 135.9 Ų | 135.9 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | | | trans | 115.9 | 85.9 | 142 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 238 | K | 34.4 | Very low | 32.5 | Very low | 196 Ų | 196 | 141.3 Ų | 141.3 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | | | trans | 41.9 | 113.4 | 136.3 | -58.2 | 176.4 | -178.1 | 175.3 | 0 | 122.5 | | |
| 239 | H | 35.7 | Very low | 32.3 | Very low | 182 Ų | 182 | 144.2 Ų | 144.2 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | | | trans | 53.4 | 130.5 | 135.2 | -69.6 | -108.2 | 0 | 0 | 0 | 123.3 | | |
| 240 | T | 29.6 | Very low | 32.3 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 93% | 0.933 | 78% | 0.779 | S | S | * | * | | | trans | -167.4 | -164.6 | 142 | 12.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 241 | R | 36.1 | Very low | 32.4 | Very low | 241 Ų | 241 | 149.4 Ų | 149.4 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | | | trans | -135 | 139.7 | -156 | -59.5 | 173.3 | 171.6 | 179.7 | -2.6 | 117.1 | | |
| 242 | R | 29 | Very low | 32.3 | Very low | 233 Ų | 233 | 148.6 Ų | 148.6 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | | | | 69.5 | 101 | 129.3 | -165.9 | 179.5 | -178.7 | 129.5 | -2.5 | 124.5 | | |
| 243 | S | 32.9 | Very low | 32.1 | Very low | 109 Ų | 109 | 154.1 Ų | 154.1 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | | | trans | 76.7 | 136.5 | 130.8 | -52.9 | 0 | 0 | 0 | 0 | 126.1 | | |
| 244 | K | 28.5 | Very low | 32 | Very low | 198 Ų | 198 | 151.9 Ų | 151.9 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | | 130.4 | 142.9 | 115.7 | -142.8 | 175.6 | -170.2 | -176 | 0 | 118.4 | | |
| 245 | S | 29.7 | Very low | 32 | Very low | 107 Ų | 107 | 150.2 Ų | 150.2 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | trans | 84.3 | 160.5 | 165.8 | -56 | 0 | 0 | 0 | 0 | 119.1 | | |
| 246 | K | 32.6 | Very low | 31.7 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | | | cis | -177.2 | 150.4 | -26 | 171.9 | 175.8 | 169.6 | -175.3 | 0 | 113.1 | | |
| 247 | D | 31.6 | Very low | 31.5 | Very low | 101 Ų | 101 | 152.3 Ų | 152.3 | 54% | 0.54 | 79% | 0.788 | S | S | . | * | | | trans | 64.1 | 171 | 163.4 | -77.3 | 21 | 0 | 0 | 0 | 117.9 | | |
| 248 | R | 36.8 | Very low | 31.5 | Very low | 194 Ų | 194 | 158.4 Ų | 158.4 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | | | cis | -158.3 | 163.3 | -2.3 | -128.7 | 169.2 | -138.3 | -99.2 | -22.5 | 116.4 | | |
| 249 | I | 31.9 | Very low | 31.6 | Very low | 130 Ų | 130 | 158.7 Ų | 158.7 | 67% | 0.667 | 78% | 0.783 | S | S | * | * | | | trans | 6.7 | 154.2 | 142.3 | -69.1 | 170.3 | 0 | 0 | 0 | 121.7 | | |
| 250 | T | 31.1 | Very low | 31.6 | Very low | 115 Ų | 115 | 155 Ų | 155 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | cis | -176.7 | 160.2 | -40.8 | 54.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 251 | K | 30.4 | Very low | 31.7 | Very low | 203 Ų | 203 | 155.4 Ų | 155.4 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | | | trans | 68.3 | 142.1 | 171.3 | -66.6 | -171.2 | 178.4 | -174.2 | 0 | 117.2 | | |
| 252 | S | 28.5 | Very low | 31.3 | Very low | 106 Ų | 106 | 149.7 Ų | 149.7 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | | | cis | -167 | 163.4 | -19.3 | 44.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 253 | E | 25.5 | Very low | 31.2 | Very low | 190 Ų | 190 | 144.5 Ų | 144.5 | 89% | 0.888 | 75% | 0.746 | S | S | * | * | | | trans | 99 | 143.4 | 158.5 | -156.6 | 163.9 | 156.7 | 0 | 0 | 122.2 | | |
| 254 | A | 32.5 | Very low | 30.9 | Very low | 74 Ų | 74 | 147.3 Ų | 147.3 | 61% | 0.612 | 75% | 0.749 | S | S | * | * | | | trans | 39.6 | 84.3 | 160 | 0 | 0 | 0 | 0 | 0 | 123.8 | A256 | A254-A256 PolarHBondContact O-N 3.29Š|
| 255 | T | 32.4 | Very low | 31.1 | Very low | 144 Ų | 144 | 143 Ų | 143 | 88% | 0.883 | 74% | 0.744 | S | S | * | * | | | | 30.3 | 85.6 | 122.2 | 56.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 256 | A | 28.5 | Very low | 31.3 | Very low | 94 Ų | 94 | 141.2 Ų | 141.2 | 78% | 0.777 | 74% | 0.742 | S | S | * | * | | | trans | -172 | 136.3 | 132.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | A254 | A254-A256 PolarHBondContact O-N 3.29Š|
| 257 | K | 31.3 | Very low | 31.3 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | | | trans | 51.1 | 98.3 | 151.9 | -66.1 | 175.2 | -179.5 | 170.4 | 0 | 120.9 | | |
| 258 | R | 32.6 | Very low | 31.1 | Very low | 204 Ų | 204 | 148.1 Ų | 148.1 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | 68.9 | 136.9 | 147 | -49.8 | -174.3 | -167.3 | -83.5 | 11.2 | 116 | | |
| 259 | R | 37.2 | Very low | 30.7 | Very low | 202 Ų | 202 | 143.8 Ų | 143.8 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | cis | -161.2 | 171 | 3.2 | -108.7 | 169.2 | -174.7 | 141.5 | -5.4 | 106.2 | | |
| 260 | P | 34.8 | Very low | 30.5 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | | | cis | -145.4 | 170.4 | 31.5 | 42.4 | -22.6 | 0 | 0 | 0 | 118.9 | | |
| 261 | R | 31.7 | Very low | 30.3 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | | | trans | 47.8 | 113.5 | 149.8 | -72.8 | 178.1 | 171.4 | 119.7 | -3.3 | 120.4 | | |
| 262 | S | 27.1 | Very low | 30.3 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | | | | -119.1 | 148.5 | 96 | 56.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 263 | N | 28.7 | Very low | 30.5 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 66% | 0.658 | 75% | 0.747 | S | S | * | * | | | trans | -95.8 | 155.9 | 178.9 | -97.4 | 30 | 0 | 0 | 0 | 110.6 | | |
| 264 | M | 26.4 | Very low | 30.8 | Very low | 168 Ų | 168 | 138.6 Ų | 138.6 | 83% | 0.828 | 74% | 0.74 | S | S | * | * | | | trans | 5.8 | 138.8 | 149.5 | -100.3 | 57.6 | 87 | 0 | 0 | 118.4 | | |
| 265 | S | 32.8 | Very low | 30.8 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | | | cis | -131.4 | 144.5 | 27.2 | -157.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 266 | G | 33.3 | Very low | 30.9 | Very low | 69 Ų | 69 | 138.9 Ų | 138.9 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | | | trans | -165.7 | 46.5 | -178 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 267 | Y | 31.8 | Very low | 31 | Very low | 185 Ų | 185 | 141 Ų | 141 | 73% | 0.725 | 74% | 0.741 | S | S | * | * | | | trans | -162.2 | 141.4 | 177.1 | -104.1 | -85.4 | 0 | 0 | 0 | 105.4 | | |
| 268 | W | 28 | Very low | 31.2 | Very low | 225 Ų | 225 | 138.9 Ų | 138.9 | 85% | 0.852 | 74% | 0.738 | S | S | * | * | | | cis | -119.7 | 152.6 | 12 | -76.9 | 69 | 0 | 0 | 0 | 112.8 | | |
| 269 | S | 28.4 | Very low | 31.2 | Very low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | | | trans | -94.7 | 145 | 153.2 | -173.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 270 | S | 27.6 | Very low | 30.9 | Very low | 88 Ų | 88 | 129.6 Ų | 129.6 | 62% | 0.615 | 74% | 0.736 | S | S | * | * | | | trans | -166.1 | 114.3 | 148.8 | -105.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 271 | D | 27.9 | Very low | 30.8 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 68% | 0.684 | 74% | 0.738 | S | S | * | * | | | | 59.1 | 137.9 | 122.1 | -33.4 | -34.1 | 0 | 0 | 0 | 118.3 | | |
| 272 | D | 30.3 | Very low | 30.8 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | | | cis | -160.6 | -175.7 | 2.7 | -143.7 | -31.9 | 0 | 0 | 0 | 110.7 | | |
| 273 | L | 32.7 | Very low | 31 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 73% | 0.728 | 74% | 0.736 | S | S | * | * | | | trans | 74.2 | 100.3 | 167.4 | -51.1 | -171.9 | 0 | 0 | 0 | 117.9 | | |
| 274 | D | 31.4 | Very low | 31 | Very low | 138 Ų | 138 | 132.7 Ų | 132.7 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | | | | 62.6 | 123.1 | 124.8 | -89.4 | -54.7 | 0 | 0 | 0 | 123 | | |
| 275 | S | 33 | Very low | 31.2 | Very low | 95 Ų | 95 | 132.9 Ų | 132.9 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | | | trans | 59.7 | 65.7 | 130.2 | -58.2 | 0 | 0 | 0 | 0 | 117 | D277 | S275-D277 PolarHBondContact O-N 2.87Š|
| 276 | S | 32.6 | Very low | 31 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | | | trans | -10.8 | 92.3 | 146.2 | 55.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 277 | D | 31.9 | Very low | 31 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | | | trans | -101.8 | 152.9 | 168 | -161.8 | 2.5 | 0 | 0 | 0 | 110.8 | S275 | S275-D277 PolarHBondContact O-N 2.87Š|
| 278 | L | 36 | Very low | 31.1 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | | | trans | 57.9 | 116.9 | -175 | -68 | 82.4 | 0 | 0 | 0 | 117.8 | | |
| 279 | S | 32.4 | Very low | 31.3 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | | | | 168.9 | 149.4 | 113.6 | 47.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 280 | S | 29.5 | Very low | 31.6 | Very low | 89 Ų | 89 | 131.6 Ų | 131.6 | 62% | 0.622 | 73% | 0.728 | S | S | * | * | | | cis | -167.3 | 131.7 | -5.5 | 145.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 281 | Y | 33.3 | Very low | 31.7 | Very low | 185 Ų | 185 | 131 Ų | 131 | 73% | 0.725 | 74% | 0.736 | S | S | * | * | | | trans | 59.9 | 137.5 | 148.1 | -75.1 | -124.2 | 0 | 0 | 0 | 120.6 | | |
| 282 | H | 30.9 | Very low | 32 | Very low | 175 Ų | 175 | 136.2 Ų | 136.2 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | | | | -167.9 | 145.9 | 109.8 | -89.8 | -21.3 | 0 | 0 | 0 | 110.7 | | |
| 283 | N | 32.3 | Very low | 32.3 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 59% | 0.588 | 75% | 0.751 | S | S | * | * | | | cis | -156 | 171.4 | -24.4 | -147.6 | -9.4 | 0 | 0 | 0 | 112.1 | | |
| 284 | T | 29 | Very low | 32.1 | Very low | 103 Ų | 103 | 135 Ų | 135 | 63% | 0.632 | 76% | 0.757 | S | S | * | * | | | trans | -44.6 | 154.5 | 173.2 | 55.4 | 0 | 0 | 0 | 0 | 117.1 | | |
| 285 | M | 29.7 | Very low | 31.8 | Very low | 173 Ų | 173 | 131.7 Ų | 131.7 | 85% | 0.852 | 76% | 0.756 | S | S | * | * | | | | -166.3 | 103.8 | 114.6 | -153.9 | 67.4 | 156.7 | 0 | 0 | 115.1 | | |
| 286 | T | 30.1 | Very low | 31.6 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | | | trans | -176.9 | 143.4 | 140.9 | 13.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 287 | M | 32.3 | Very low | 31.2 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 68% | 0.68 | 75% | 0.753 | S | S | * | * | | | trans | -149 | 130.9 | 179.1 | -77.8 | -94.8 | -79.6 | 0 | 0 | 110.5 | | |
| 288 | M | 33 | Very low | 31 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 59% | 0.586 | 76% | 0.759 | S | S | * | * | | | trans | 45.5 | 146.3 | 132.1 | -56.4 | -165.6 | -166 | 0 | 0 | 121.1 | S314 | M288-S314 WeakPolarHBondContact SD-CB 3.46Š|
| 289 | T | 32.3 | Very low | 30.6 | Very low | 90 Ų | 90 | 137.7 Ų | 137.7 | 55% | 0.552 | 76% | 0.763 | S | S | * | * | | | cis | -175.4 | 147.6 | -1.7 | -98.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 290 | L | 36.3 | Very low | 30.2 | Very low | 173 Ų | 173 | 137.8 Ų | 137.8 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | | | trans | 36.6 | 142.6 | 158.9 | -90.3 | 59.7 | 0 | 0 | 0 | 124.8 | | |
| 291 | G | 28.3 | Very low | 30.1 | Very low | 77 Ų | 77 | 136.8 Ų | 136.8 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | | | trans | 165.7 | 140.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 292 | R | 35 | Very low | 29.7 | Very low | 236 Ų | 236 | 136.3 Ų | 136.3 | 89% | 0.891 | 77% | 0.772 | S | S | * | * | | | trans | -143.3 | 150.3 | 174.7 | -93.9 | -171.9 | -178.5 | -103.2 | 7.9 | 110.3 | | |
| 293 | P | 36 | Very low | 29.4 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 87% | 0.87 | 77% | 0.765 | S | S | * | * | | | | -141.9 | -144.8 | 92.5 | 38.2 | -19.9 | 0 | 0 | 0 | 113.9 | | |
| 294 | S | 28.1 | Very low | 29.2 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | -134.6 | 153.5 | -161 | -169.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 295 | G | 26.4 | Very low | 29.1 | Very low | 69 Ų | 69 | 140.6 Ų | 140.6 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | | | trans | 134.1 | 120.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 296 | H | 28.3 | Very low | 28.9 | Very low | 169 Ų | 169 | 139 Ų | 139 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | | | trans | 15.8 | 113.8 | 164.2 | -79.7 | -83.7 | 0 | 0 | 0 | 122.6 | | |
| 297 | E | 24.3 | Very low | 28.6 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 73% | 0.729 | 77% | 0.772 | S | S | * | * | | | | 50.1 | 113.9 | 102.2 | -171.1 | 173.3 | -149.4 | 0 | 0 | 121.3 | | |
| 298 | S | 27.3 | Very low | 28.3 | Very low | 122 Ų | 122 | 139 Ų | 139 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | | | | 179.9 | 174.9 | 116.6 | 41.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 299 | H | 27.9 | Very low | 28 | Very low | 185 Ų | 185 | 136.7 Ų | 136.7 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | | | trans | -89.6 | 157.4 | -161.4 | -88.8 | -88.3 | 0 | 0 | 0 | 117.2 | | |
| 300 | S | 24.8 | Very low | 27.7 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | trans | 93.6 | 150.8 | 145.7 | 82.9 | 0 | 0 | 0 | 0 | 119.7 | | |
| 301 | G | 26.5 | Very low | 27.3 | Very low | 69 Ų | 69 | 140.3 Ų | 140.3 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | 122 | 106.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 302 | Q | 25.9 | Very low | 27.2 | Very low | 174 Ų | 174 | 142.2 Ų | 142.2 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | trans | 17.4 | 115.8 | 147 | -56.3 | -63.3 | -23.4 | 0 | 0 | 118.4 | | |
| 303 | S | 24.8 | Very low | 26.9 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | | | | 79.1 | 139.5 | 69.2 | -168 | 0 | 0 | 0 | 0 | 115.5 | | |
| 304 | K | 27.9 | Very low | 26.5 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | | | trans | 101.7 | 105.2 | 161.5 | -57.6 | -170.9 | -177.1 | 178.3 | 0 | 121.1 | | |
| 305 | Y | 25.3 | Very low | 26.4 | Very low | 210 Ų | 210 | 132.6 Ų | 132.6 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | | | trans | 76.6 | 135.6 | 132.8 | -80.4 | -105.1 | 0 | 0 | 0 | 123.2 | | |
| 306 | I | 25.6 | Very low | 26.6 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 72% | 0.723 | 73% | 0.731 | S | S | * | * | | | trans | 99.8 | 114.9 | 139.5 | -77.9 | 162.6 | 0 | 0 | 0 | 122.1 | | |
| 307 | H | 25.2 | Very low | 26.7 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 79% | 0.792 | 74% | 0.735 | S | S | * | * | | | trans | 68.4 | 124 | 144.9 | -86.9 | 65.2 | 0 | 0 | 0 | 124.5 | | |
| 308 | S | 24.8 | Very low | 27.1 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | | | | 65.4 | 121.4 | 123.6 | -178.4 | 0 | 0 | 0 | 0 | 121.5 | | |
| 309 | G | 27 | Very low | 27.4 | Very low | 69 Ų | 69 | 131.5 Ų | 131.5 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | | | trans | 156.8 | 105.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 310 | Y | 26.5 | Very low | 27.7 | Very low | 212 Ų | 212 | 129.2 Ų | 129.2 | 83% | 0.831 | 73% | 0.725 | S | S | * | * | | | trans | 6.4 | 129.5 | 145 | -66.5 | -74.1 | 0 | 0 | 0 | 123.2 | | |
| 311 | N | 27.6 | Very low | 27.8 | Very low | 128 Ų | 128 | 128.3 Ų | 128.3 | 68% | 0.684 | 71% | 0.711 | S | S | * | * | | | | 68.7 | 116.1 | 124.3 | -69 | -4.6 | 0 | 0 | 0 | 124.7 | | |
| 312 | T | 26 | Very low | 28.2 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 71% | 0.712 | 71% | 0.709 | S | S | * | * | | | | 83.9 | 158.2 | 121 | 63.2 | 0 | 0 | 0 | 0 | 124.3 | | |
| 313 | I | 28.9 | Very low | 28.4 | Very low | 165 Ų | 165 | 130.5 Ų | 130.5 | 85% | 0.846 | 70% | 0.702 | S | S | * | * | | | trans | 81.1 | 154.8 | 156.1 | 50.9 | 171.2 | 0 | 0 | 0 | 121.8 | | |
| 314 | S | 26.4 | Very low | 28.5 | Very low | 46 Ų | 46 | 134.7 Ų | 134.7 | 32% | 0.322 | 71% | 0.705 | S | S | . | * | | | trans | -150.8 | 167.6 | -148.1 | -42.9 | 0 | 0 | 0 | 0 | 115.9 | M288 | M288-S314 WeakPolarHBondContact SD-CB 3.46Š|
| 315 | S | 26.2 | Very low | 29.7 | Very low | 79 Ų | 79 | 132 Ų | 132 | 55% | 0.552 | 71% | 0.705 | S | S | * | * | | | trans | 76 | 176.1 | 159.6 | 86.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 316 | S | 30.7 | Very low | 29.9 | Very low | 80 Ų | 80 | 126.5 Ų | 126.5 | 56% | 0.559 | 70% | 0.703 | S | S | * | * | | | cis | -161 | 153.4 | 18.5 | -120 | 0 | 0 | 0 | 0 | 113.9 | | |
| 317 | K | 31.4 | Very low | 30 | Very low | 199 Ų | 199 | 128 Ų | 128 | 87% | 0.865 | 71% | 0.711 | S | S | * | * | | | trans | 72.2 | 168.4 | 146.6 | -70.2 | 168 | -168.5 | 176.1 | 0 | 116.5 | | |
| 318 | S | 32.6 | Very low | 31 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | | | cis | -128.8 | -142.1 | 28.8 | 68.4 | 0 | 0 | 0 | 0 | 118 | | |
| 319 | S | 33.4 | Very low | 31.2 | Very low | 97 Ų | 97 | 123.8 Ų | 123.8 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | | | trans | 179.9 | 168.2 | -149.1 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 320 | N | 33.4 | Very low | 32.2 | Very low | 137 Ų | 137 | 127.5 Ų | 127.5 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | | | cis | -173.2 | 155.7 | -41.6 | -80.2 | -44.6 | 0 | 0 | 0 | 108 | | |
| 321 | D | 27.7 | Very low | 32.4 | Very low | 106 Ų | 106 | 120.5 Ų | 120.5 | 57% | 0.567 | 71% | 0.712 | S | S | * | * | | | trans | -128.9 | 156.7 | 173.7 | -128.3 | -113.6 | 0 | 0 | 0 | 109.9 | K323 | D321-K323 WeakPolarHBondContact OD1-CD 3.43Å; D321-K323 VanDerWaalsContact OD1-CE 3.31Å; D321-K323 WeakPolarHBondContact OD1-CE 3.46Å; D321-K323 IonicContact OD1-NZ 3.23Å; D321-K323 PolarHBondContact OD1-NZ 3.44Å; D321-K323 IonicContact OD2-NZ 2.68Å; D321-K323 PolarHBondContact OD2-NZ 3.03Å |
| 322 | M | 34.9 | Very low | 32.4 | Very low | 139 Ų | 139 | 121.7 Ų | 121.7 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | | | cis | 95.2 | 179.9 | 33.2 | -110.4 | 65.3 | 59.9 | 0 | 0 | 113.3 | Y324 | M322-Y324 HydrophobicContact CG-CD2 4.31Š|
| 323 | K | 29.5 | Very low | 32.7 | Very low | 151 Ų | 151 | 123.9 Ų | 123.9 | 66% | 0.657 | 72% | 0.724 | S | S | * | * | | | cis | -156.4 | 57.8 | 22.8 | -147.6 | 166.1 | -138.3 | 126.7 | 0 | 118.1 | D321 | D321-K323 WeakPolarHBondContact OD1-CD 3.43Å; D321-K323 VanDerWaalsContact OD1-CE 3.31Å; D321-K323 WeakPolarHBondContact OD1-CE 3.46Å; D321-K323 IonicContact OD1-NZ 3.23Å; D321-K323 PolarHBondContact OD1-NZ 3.44Å; D321-K323 IonicContact OD2-NZ 2.68Å; D321-K323 PolarHBondContact OD2-NZ 3.03Å |
| 324 | Y | 27.9 | Very low | 32.8 | Very low | 181 Ų | 181 | 119.7 Ų | 119.7 | 71% | 0.71 | 72% | 0.722 | S | S | * | * | | | trans | 67 | -163.4 | 153.3 | -87.7 | -108.6 | 0 | 0 | 0 | 116.8 | R193 M322 | R193-Y324 PolarHBondContact NH1-OH 3.4Å; M322-Y324 HydrophobicContact CG-CD2 4.31Å |
| 325 | P | 53 | Low | 32.9 | Very low | 117 Ų | 117 | 121.7 Ų | 121.7 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | | | cis | -136.2 | 175.4 | -14.4 | 24 | 0.4 | 0 | 0 | 0 | 117.7 | | |
| 326 | A | 28.4 | Very low | 33 | Very low | 96 Ų | 96 | 121.9 Ų | 121.9 | 79% | 0.793 | 76% | 0.764 | S | S | * | * | | | trans | 179 | 146.6 | 136.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 327 | L | 29.3 | Very low | 32.8 | Very low | 171 Ų | 171 | 121.6 Ų | 121.6 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | | | trans | -160.7 | 177.9 | -179.1 | -77.8 | -176 | 0 | 0 | 0 | 110.4 | | |
| 328 | P | 45.6 | Very low | 32.7 | Very low | 132 Ų | 132 | 120 Ų | 120 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | | | cis | -112.7 | -131.7 | 1.4 | 43.8 | -29.4 | 0 | 0 | 0 | 112.4 | | |
| 329 | G | 28.8 | Very low | 32.6 | Very low | 62 Ų | 62 | 119.9 Ų | 119.9 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | | | cis | 153.5 | 174.2 | 3.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 330 | P | 48.5 | Very low | 32.5 | Very low | 147 Ų | 147 | 118.9 Ų | 118.9 | 96% | 0.955 | 78% | 0.777 | S | S | * | * | | | cis | -104.7 | -121.3 | -8.7 | 39.5 | -23.9 | 0 | 0 | 0 | 113 | | |
| 331 | G | 30.1 | Very low | 33.2 | Very low | 65 Ų | 65 | 118 Ų | 118 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | | | cis | -171.3 | -162.3 | 10.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 332 | D | 28.3 | Very low | 33.4 | Very low | 153 Ų | 153 | 119.1 Ų | 119.1 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -110.1 | 152.8 | -156.4 | -82.1 | -59.2 | 0 | 0 | 0 | 120.8 | | |
| 333 | I | 32.2 | Very low | 33.4 | Very low | 162 Ų | 162 | 115.4 Ų | 115.4 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | | | trans | 7.7 | 140.1 | 138.4 | -45.7 | 173.2 | 0 | 0 | 0 | 118.8 | | |
| 334 | G | 29.8 | Very low | 33.3 | Very low | 77 Ų | 77 | 116.4 Ų | 116.4 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | cis | 146.8 | 143.9 | -5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 335 | G | 28.5 | Very low | 33.5 | Very low | 87 Ų | 87 | 114.5 Ų | 114.5 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | | | trans | 159 | 114.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 336 | G | 28.2 | Very low | 32.4 | Very low | 83 Ų | 83 | 117.7 Ų | 117.7 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | | | trans | 100.5 | 88.2 | 136.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 337 | G | 27.1 | Very low | 32.3 | Very low | 75 Ų | 75 | 119.1 Ų | 119.1 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | 77.9 | 159.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 338 | I | 30.3 | Very low | 32.3 | Very low | 164 Ų | 164 | 117 Ų | 117 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | | | cis | -151.6 | 148.9 | 2.1 | 3.7 | 171.1 | 0 | 0 | 0 | 111.5 | | |
| 339 | S | 30.2 | Very low | 31.4 | Very low | 115 Ų | 115 | 116.3 Ų | 116.3 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | 48.7 | 132 | 152 | 61.7 | 0 | 0 | 0 | 0 | 123.8 | | |
| 340 | G | 29.9 | Very low | 31.3 | Very low | 77 Ų | 77 | 120.1 Ų | 120.1 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | 107 | 119.1 | 130.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 341 | P | 49.1 | Very low | 30.3 | Very low | 118 Ų | 118 | 122 Ų | 122 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | trans | -124.6 | 173.1 | -176 | 43 | -31.7 | 0 | 0 | 0 | 116.6 | | |
| 342 | V | 32.6 | Very low | 30.2 | Very low | 130 Ų | 130 | 124.5 Ų | 124.5 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | | | trans | 72.7 | 136 | 166.9 | -169.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 343 | G | 35.2 | Very low | 30.2 | Very low | 61 Ų | 61 | 126.6 Ų | 126.6 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | | | cis | 123.1 | 126 | -8.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 344 | M | 27.3 | Very low | 30 | Very low | 172 Ų | 172 | 122.9 Ų | 122.9 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | | | trans | -166.2 | 175.3 | 163 | -113.7 | -60.1 | 103.6 | 0 | 0 | 114.4 | | |
| 345 | L | 32 | Very low | 29.9 | Very low | 140 Ų | 140 | 123 Ų | 123 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | | | trans | -78.7 | 164.3 | -173.3 | -115.1 | 73.9 | 0 | 0 | 0 | 115.5 | | |
| 346 | M | 29.1 | Very low | 29.8 | Very low | 184 Ų | 184 | 124.8 Ų | 124.8 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | | | trans | -138 | 168.3 | 150.2 | -86.1 | -171.6 | 69.2 | 0 | 0 | 110.1 | | |
| 347 | N | 27.1 | Very low | 29.8 | Very low | 127 Ų | 127 | 132 Ų | 132 | 68% | 0.679 | 78% | 0.779 | S | S | * | * | | | trans | -136.2 | 172.6 | -161.4 | -150.7 | 43 | 0 | 0 | 0 | 112.9 | | |
| 348 | D | 27.5 | Very low | 29.9 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | | | trans | 80.3 | 143.6 | 152.3 | -67 | -49.8 | 0 | 0 | 0 | 125 | | |
| 349 | T | 26.7 | Very low | 29.7 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | | | trans | 68.6 | 104.5 | 150.1 | 40.4 | 0 | 0 | 0 | 0 | 124.1 | | |
| 350 | E | 27.4 | Very low | 29.6 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 66% | 0.659 | 77% | 0.773 | S | S | * | * | | | | 69.1 | 138.1 | 114.3 | -76.2 | -169.1 | 140.2 | 0 | 0 | 126.2 | | |
| 351 | Y | 28 | Very low | 29.7 | Very low | 186 Ų | 186 | 135.9 Ų | 135.9 | 73% | 0.729 | 77% | 0.773 | S | S | * | * | | | trans | 82.5 | 126.1 | 143.5 | -72.8 | -44.5 | 0 | 0 | 0 | 126.2 | | |
| 352 | V | 27.2 | Very low | 28.7 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | | | trans | 83.3 | 99.1 | 131.1 | 173.8 | 0 | 0 | 0 | 0 | 121.2 | | |
| 353 | K | 28.7 | Very low | 28.4 | Very low | 197 Ų | 197 | 136.7 Ų | 136.7 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | | | | 67.9 | 86.5 | 120.3 | -164.5 | -172.1 | 177.3 | -177.2 | 0 | 121 | | |
| 354 | G | 28.6 | Very low | 28.3 | Very low | 84 Ų | 84 | 143 Ų | 143 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | | | | 67.9 | 152 | 116.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 355 | G | 28.1 | Very low | 29 | Very low | 78 Ų | 78 | 140.4 Ų | 140.4 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | 154.2 | 113.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 356 | S | 26.6 | Very low | 28.9 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | 74.3 | 173.7 | 146.6 | -142.5 | 0 | 0 | 0 | 0 | 122.2 | | |
| 357 | W | 26.6 | Very low | 28.9 | Very low | 235 Ų | 235 | 141.7 Ų | 141.7 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | | | trans | -131.6 | 162.1 | -161.7 | -79 | 36.6 | 0 | 0 | 0 | 112.8 | | |
| 358 | S | 31.1 | Very low | 28.9 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | | 158.1 | 164.5 | 117.1 | -72.7 | 0 | 0 | 0 | 0 | 116.5 | | |
| 359 | T | 25.6 | Very low | 28.7 | Very low | 122 Ų | 122 | 143 Ų | 143 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | | | trans | 76.1 | 126 | 167.5 | -125.8 | 0 | 0 | 0 | 0 | 116.5 | | |
| 360 | L | 27.6 | Very low | 28.8 | Very low | 151 Ų | 151 | 146.4 Ų | 146.4 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | cis | 80.7 | 139.4 | 37.4 | -54.2 | 172.7 | 0 | 0 | 0 | 113 | | |
| 361 | T | 31.3 | Very low | 28.8 | Very low | 132 Ų | 132 | 149.7 Ų | 149.7 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | | | cis | -153.3 | -163.2 | 13.6 | -21.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 362 | M | 28.5 | Very low | 28.8 | Very low | 192 Ų | 192 | 144.2 Ų | 144.2 | 95% | 0.946 | 81% | 0.812 | S | S | * | * | | | trans | -67.2 | 176.8 | -179.6 | -67.8 | -161 | -168.8 | 0 | 0 | 115.7 | | |
| 363 | G | 26.3 | Very low | 28.9 | Very low | 74 Ų | 74 | 143.7 Ų | 143.7 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | | | cis | -177.6 | -149.6 | 17.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 364 | Q | 34.1 | Very low | 28.9 | Very low | 194 Ų | 194 | 139.8 Ų | 139.8 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | | | trans | -93 | 164.7 | -163.6 | -59.9 | 179.5 | -31.5 | 0 | 0 | 117.7 | | |
| 365 | P | 40.7 | Very low | 28.9 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | | | | -144.2 | 176.3 | 124.4 | 39.1 | -25.4 | 0 | 0 | 0 | 114.2 | | |
| 366 | R | 30.5 | Very low | 29 | Very low | 200 Ų | 200 | 146.7 Ų | 146.7 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | | | cis | -169.2 | 126 | -33.5 | -102.7 | -175.6 | 175 | -117.5 | 12.5 | 111.5 | | |
| 367 | Q | 29.7 | Very low | 28.9 | Very low | 151 Ų | 151 | 146.1 Ų | 146.1 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | trans | 63.9 | 165 | 142.9 | -64.9 | 157.9 | -21.2 | 0 | 0 | 118.5 | | |
| 368 | V | 26 | Very low | 29.1 | Very low | 130 Ų | 130 | 145.1 Ų | 145.1 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | | | cis | -148.5 | 134.3 | 30 | 170.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 369 | L | 24.1 | Very low | 29.1 | Very low | 152 Ų | 152 | 144.4 Ų | 144.4 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | | | cis | 90.6 | 114.2 | 48.9 | -176.1 | 141.8 | 0 | 0 | 0 | 116.3 | | |
| 370 | Q | 28.2 | Very low | 29.2 | Very low | 187 Ų | 187 | 147 Ų | 147 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | -170.9 | 178.8 | 142.8 | -110.1 | -170.4 | 48.7 | 0 | 0 | 115.6 | | |
| 371 | K | 27.2 | Very low | 29.4 | Very low | 210 Ų | 210 | 147.4 Ų | 147.4 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | | | trans | -97.5 | 174.7 | -170.9 | -52.2 | 168.5 | -177.1 | 175.8 | 0 | 111.3 | | |
| 372 | G | 28 | Very low | 29.2 | Very low | 71 Ų | 71 | 150.5 Ų | 150.5 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | | | cis | 154.9 | 162.2 | -6.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 373 | S | 29.3 | Very low | 29.2 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | 73.4 | 129.3 | 162.1 | -145.5 | 0 | 0 | 0 | 0 | 122.9 | | |
| 374 | T | 28.8 | Very low | 29.2 | Very low | 116 Ų | 116 | 151.7 Ų | 151.7 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | | | trans | 37.5 | 134.3 | 139.1 | 58.5 | 0 | 0 | 0 | 0 | 121.5 | | |
| 375 | T | 29.5 | Very low | 28.6 | Very low | 141 Ų | 141 | 148.7 Ų | 148.7 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | | | | -171 | 168.5 | 72.6 | 41.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 376 | L | 29.6 | Very low | 28 | Very low | 165 Ų | 165 | 148.4 Ų | 148.4 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | trans | -56.3 | 158.3 | 177.9 | -101.9 | 162.5 | 0 | 0 | 0 | 121.4 | | |
| 377 | D | 25.1 | Very low | 27.5 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 61% | 0.61 | 79% | 0.791 | S | S | * | * | | | trans | 108.4 | 144.3 | 134.8 | -150.6 | 23.8 | 0 | 0 | 0 | 122.2 | | |
| 378 | R | 30.5 | Very low | 27.2 | Very low | 213 Ų | 213 | 147 Ų | 147 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | 63.4 | 158.5 | 163.9 | -76.6 | 157.1 | -158 | -117.4 | -1.7 | 121.2 | | |
| 379 | S | 30.9 | Very low | 27.1 | Very low | 92 Ų | 92 | 148 Ų | 148 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | | | cis | -177.7 | 151 | -37.3 | 58.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 380 | M | 28.1 | Very low | 27.4 | Very low | 177 Ų | 177 | 147.2 Ų | 147.2 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | | | trans | 72 | 150.2 | 153.7 | -65.9 | -91.5 | -85.4 | 0 | 0 | 119.8 | | |
| 381 | L | 32.1 | Very low | 27.2 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | trans | -95.4 | 140.8 | 178.3 | -66.4 | 75.7 | 0 | 0 | 0 | 112.5 | | |
| 382 | K | 26.8 | Very low | 27.1 | Very low | 196 Ų | 196 | 138.5 Ų | 138.5 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | | | trans | 174.5 | 117.3 | 144.6 | -94.9 | 149.5 | -177.1 | 177.4 | 0 | 107.4 | | |
| 383 | S | 28.2 | Very low | 27.2 | Very low | 89 Ų | 89 | 141.6 Ų | 141.6 | 62% | 0.622 | 76% | 0.762 | S | S | * | * | | | | 80.7 | 119 | 56.7 | 84.3 | 0 | 0 | 0 | 0 | 115 | | |
| 384 | K | 25.1 | Very low | 27 | Very low | 203 Ų | 203 | 146.2 Ų | 146.2 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | | | trans | 70.6 | 117.9 | 162.2 | -46.5 | 169.4 | -172 | 178.1 | 0 | 117.7 | | |
| 385 | S | 22.6 | Very low | 27.1 | Very low | 130 Ų | 130 | 147.5 Ų | 147.5 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | | | | -178.5 | 175.2 | 108.8 | -158.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 386 | C | 27.8 | Very low | 27.1 | Very low | 111 Ų | 111 | 148.5 Ų | 148.5 | 75% | 0.75 | 76% | 0.761 | S | S | * | * | | | trans | -137 | 124.3 | 177.4 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 387 | Q | 21.1 | Very low | 26.9 | Very low | 177 Ų | 177 | 146.5 Ų | 146.5 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | | | trans | -174.6 | 135.1 | 148 | -100.4 | 175 | -30.9 | 0 | 0 | 105.3 | | |
| 388 | Q | 21.8 | Very low | 27.2 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | | | cis | 84.2 | 114.4 | 44.1 | -151.2 | -164.9 | -31.7 | 0 | 0 | 113.3 | | |
| 389 | E | 24.2 | Very low | 27.3 | Very low | 150 Ų | 150 | 145.7 Ų | 145.7 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | | | trans | 99.6 | 153.8 | 140.4 | -127.5 | 158.2 | -107.3 | 0 | 0 | 123.5 | | |
| 390 | L | 30.5 | Very low | 27.2 | Very low | 135 Ų | 135 | 152.3 Ų | 152.3 | 71% | 0.707 | 78% | 0.778 | S | S | * | * | | | trans | 87.3 | 104.4 | 158.6 | -58.5 | 179.4 | 0 | 0 | 0 | 122.6 | | |
| 391 | T | 24.1 | Very low | 27.2 | Very low | 106 Ų | 106 | 146.7 Ų | 146.7 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | | | | 75.5 | 104.3 | 126.2 | 57.1 | 0 | 0 | 0 | 0 | 123.2 | | |
| 392 | C | 25.1 | Very low | 26.9 | Very low | 109 Ų | 109 | 146.8 Ų | 146.8 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | | | | 47.9 | 156.5 | 97.9 | -53.1 | 0 | 0 | 0 | 0 | 122.6 | | |
| 393 | N | 30.5 | Very low | 27 | Very low | 136 Ų | 136 | 149 Ų | 149 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | 94.9 | 147 | 152.2 | -57.2 | -38.5 | 0 | 0 | 0 | 118.9 | | |
| 394 | Y | 24.5 | Very low | 26.7 | Very low | 204 Ų | 204 | 150.7 Ų | 150.7 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | | | cis | -168.6 | -176.9 | -33 | -142.8 | -98.7 | 0 | 0 | 0 | 108.5 | | |
| 395 | L | 30.2 | Very low | 26.9 | Very low | 144 Ų | 144 | 146 Ų | 146 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | | | trans | 76 | 153.7 | 174.3 | -54 | 172.4 | 0 | 0 | 0 | 115 | | |
| 396 | Q | 29.4 | Very low | 27 | Very low | 161 Ų | 161 | 145.1 Ų | 145.1 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | | | cis | -133.6 | 145.5 | 9.1 | -174.8 | 81.7 | -10.5 | 0 | 0 | 110.1 | | |
| 397 | V | 26.9 | Very low | 27 | Very low | 124 Ų | 124 | 148.1 Ų | 148.1 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | | | trans | -121.2 | 133.5 | 176.6 | -171 | 0 | 0 | 0 | 0 | 110.7 | | |
| 398 | G | 31.1 | Very low | 27.2 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | | | trans | -70.1 | 131.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 399 | R | 32.3 | Very low | 27.6 | Very low | 236 Ų | 236 | 148.2 Ų | 148.2 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | | | trans | -86.3 | 169.1 | 176.1 | -52.6 | -170.2 | -173.3 | -83.4 | 6.7 | 109.5 | | |
| 400 | R | 28.2 | Very low | 27.7 | Very low | 231 Ų | 231 | 146.5 Ų | 146.5 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | | | cis | -167.1 | 143.4 | 27.9 | -167.1 | -178.5 | -173.9 | -77.7 | 4.2 | 111.9 | | |
| 401 | G | 29.5 | Very low | 27.9 | Very low | 59 Ų | 59 | 146.1 Ų | 146.1 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | | | trans | 90.8 | 134.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 402 | D | 24.3 | Very low | 28.2 | Very low | 162 Ų | 162 | 144 Ų | 144 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | | | cis | -139.8 | 171.4 | -1.4 | -84 | -36.2 | 0 | 0 | 0 | 112.4 | | |
| 403 | W | 28.9 | Very low | 28.6 | Very low | 242 Ų | 242 | 148.1 Ų | 148.1 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | | | trans | -92.7 | 145.8 | 178.1 | -76.1 | 50.4 | 0 | 0 | 0 | 111.9 | | |
| 404 | S | 22.6 | Very low | 28.7 | Very low | 124 Ų | 124 | 148.7 Ų | 148.7 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | | | trans | -165.6 | 141.3 | 141.1 | -85.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 405 | S | 29.2 | Very low | 29 | Very low | 106 Ų | 106 | 147.4 Ų | 147.4 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | | | trans | -75.7 | 155 | 171.2 | -50.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 406 | S | 25.3 | Very low | 29.1 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | | | | 175.3 | -172 | 76.9 | 49.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 407 | L | 27.5 | Very low | 29.8 | Very low | 173 Ų | 173 | 144.8 Ų | 144.8 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | | | trans | -40.9 | 154.3 | -173.5 | -68.9 | 64.2 | 0 | 0 | 0 | 116.3 | | |
| 408 | G | 25.9 | Very low | 30.2 | Very low | 68 Ų | 68 | 144.6 Ų | 144.6 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | cis | 161.1 | -170.3 | 1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 409 | R | 29.5 | Very low | 30.7 | Very low | 257 Ų | 257 | 152.5 Ų | 152.5 | 97% | 0.97 | 81% | 0.809 | S | S | * | * | | | trans | 70.4 | 113.5 | -172.8 | -61.4 | -178 | 177.5 | -95.3 | -1 | 115.8 | | |
| 410 | S | 26.4 | Very low | 30.9 | Very low | 114 Ų | 114 | 152.7 Ų | 152.7 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | | | trans | -157.7 | 133.1 | 164.4 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 411 | P | 34.1 | Very low | 31.2 | Very low | 128 Ų | 128 | 149 Ų | 149 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | | | trans | -111.4 | 139.2 | 144 | 34.7 | -26 | 0 | 0 | 0 | 109.5 | | |
| 412 | G | 31.1 | Very low | 31.6 | Very low | 60 Ų | 60 | 156.3 Ų | 156.3 | 62% | 0.619 | 81% | 0.813 | S | S | * | * | | | cis | 124.5 | 135.2 | 4.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 413 | F | 34.6 | Very low | 32.2 | Very low | 197 Ų | 197 | 154 Ų | 154 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | | | trans | -160.6 | 154.5 | 167.9 | -113.5 | -75.7 | 0 | 0 | 0 | 111.6 | | |
| 414 | N | 32.6 | Very low | 32.5 | Very low | 148 Ų | 148 | 145.9 Ų | 145.9 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | 67.4 | 96 | 168.7 | -54.8 | -21.5 | 0 | 0 | 0 | 118.8 | | |
| 415 | E | 29.7 | Very low | 33 | Very low | 177 Ų | 177 | 145.2 Ų | 145.2 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | | | trans | -155.5 | 106.5 | 137.4 | -151.3 | 174.2 | -176.2 | 0 | 0 | 116.1 | | |
| 416 | I | 31.8 | Very low | 33.3 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | | | trans | 47.7 | -143.2 | 140.1 | -32.5 | 172.2 | 0 | 0 | 0 | 119.6 | | |
| 417 | P | 45 | Very low | 34 | Very low | 102 Ų | 102 | 149.9 Ų | 149.9 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | | | | -116.6 | 161.6 | -117.3 | 35 | -19.5 | 0 | 0 | 0 | 119.7 | | |
| 418 | C | 35.9 | Very low | 34.7 | Very low | 121 Ų | 121 | 151.7 Ų | 151.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | 72.5 | 146.6 | 140.8 | -82.2 | 0 | 0 | 0 | 0 | 122.6 | | |
| 419 | R | 39.8 | Very low | 35.4 | Very low | 240 Ų | 240 | 151.7 Ų | 151.7 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | | | trans | 52.3 | 108.4 | 155 | -70.9 | -179.8 | 169.5 | 179.7 | -2.6 | 119 | | |
| 420 | R | 38.3 | Very low | 36.2 | Very low | 240 Ų | 240 | 147.2 Ų | 147.2 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | | | | -138.4 | 122.7 | 129.8 | -170.1 | 170.6 | 177.3 | -174.4 | -1.1 | 111.5 | | |
| 421 | M | 34.5 | Very low | 36.9 | Very low | 153 Ų | 153 | 145.7 Ų | 145.7 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | | | trans | -91.6 | 170.3 | 170.1 | -71.1 | 172.9 | 64.7 | 0 | 0 | 111.2 | | |
| 422 | R | 37.1 | Very low | 37.1 | Very low | 213 Ų | 213 | 147.1 Ų | 147.1 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | 75.4 | 102.7 | 153.5 | -93.6 | -178.5 | 169.1 | 142.3 | -2.5 | 119.2 | | |
| 423 | S | 36.6 | Very low | 37.5 | Very low | 113 Ų | 113 | 152.1 Ų | 152.1 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | | 62.3 | 129.3 | 112.5 | 66.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 424 | G | 34.5 | Very low | 38 | Very low | 72 Ų | 72 | 150.9 Ų | 150.9 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | trans | 132.6 | 138 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 425 | S | 33.4 | Very low | 38.5 | Very low | 109 Ų | 109 | 152.2 Ų | 152.2 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | | | cis | -154.4 | 141.9 | -10.3 | -80.6 | 0 | 0 | 0 | 0 | 111.8 | V427 | S425-V427 PolarHBondContact O-N 3.25Å; S425-V427 VanDerWaalsContact O-N 3.16Å |
| 426 | Y | 35.1 | Very low | 38.9 | Very low | 181 Ų | 181 | 148.5 Ų | 148.5 | 71% | 0.71 | 79% | 0.792 | S | S | * | * | | | | 1.7 | 91.7 | 128.7 | -172.4 | -93.4 | 0 | 0 | 0 | 116.9 | | |
| 427 | V | 40.8 | Very low | 39.1 | Very low | 134 Ų | 134 | 148.5 Ų | 148.5 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | | | trans | -154.1 | 76 | 152.5 | -167.6 | 0 | 0 | 0 | 0 | 111.8 | S425 | S425-V427 PolarHBondContact O-N 3.25Å; S425-V427 VanDerWaalsContact O-N 3.16Å |
| 428 | K | 41.5 | Very low | 38.7 | Very low | 212 Ų | 212 | 151.4 Ų | 151.4 | 92% | 0.922 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -163.7 | 35.3 | 154.3 | -154.8 | 79.2 | -178.9 | -176.1 | 0 | 112.8 | | |
| 429 | A | 41.1 | Very low | 38.8 | Very low | 67 Ų | 67 | 150.1 Ų | 150.1 | 55% | 0.554 | 80% | 0.796 | S | S | * | * | | | trans | -135.3 | 53 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 430 | M | 47.5 | Very low | 38.5 | Very low | 163 Ų | 163 | 147.6 Ų | 147.6 | 80% | 0.803 | 79% | 0.794 | S | S | * | * | | | trans | -146.1 | 128.8 | 173 | -66 | -62.5 | -64.3 | 0 | 0 | 106.9 | | |
| 431 | G | 40.8 | Very low | 38.2 | Very low | 82 Ų | 82 | 139.1 Ų | 139.1 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | | | trans | 85.9 | 116.8 | -163.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 432 | D | 38 | Very low | 37.9 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | cis | -130.2 | 162.6 | 8.6 | -153.1 | -3.3 | 0 | 0 | 0 | 111.9 | | |
| 433 | M | 38.5 | Very low | 38.4 | Very low | 165 Ų | 165 | 133.2 Ų | 133.2 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | trans | -138.1 | 51.1 | -159.7 | -163.7 | -179.6 | 70.4 | 0 | 0 | 114.1 | | |
| 434 | E | 46.2 | Very low | 38.4 | Very low | 172 Ų | 172 | 136.9 Ų | 136.9 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -136.9 | 79 | -177.5 | -63.5 | -68.9 | 156.1 | 0 | 0 | 111.9 | | |
| 435 | D | 42.8 | Very low | 38.9 | Very low | 175 Ų | 175 | 139 Ų | 139 | 94% | 0.936 | 79% | 0.788 | S | S | * | * | | | trans | -172.4 | 121.2 | 137.5 | -117.8 | -17.4 | 0 | 0 | 0 | 109 | | |
| 436 | S | 38.5 | Very low | 38.7 | Very low | 99 Ų | 99 | 139.2 Ų | 139.2 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | trans | -129.5 | 167.6 | 179.7 | -174.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 437 | D | 35.3 | Very low | 39.2 | Very low | 148 Ų | 148 | 135 Ų | 135 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | 83.5 | 120.1 | 169.4 | -47.1 | -13 | 0 | 0 | 0 | 113.4 | | |
| 438 | D | 36.4 | Very low | 38.9 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | | | cis | -139.1 | 171.8 | 44.5 | -144.5 | -28.1 | 0 | 0 | 0 | 114.5 | | |
| 439 | S | 39.1 | Very low | 38.4 | Very low | 94 Ų | 94 | 133.7 Ų | 133.7 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | | | trans | -104.2 | 160.1 | -172.9 | -65.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 440 | E | 32.3 | Very low | 37.9 | Very low | 186 Ų | 186 | 135.3 Ų | 135.3 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | | | | 159.9 | 157.7 | 123.7 | -92.9 | -59.3 | 112 | 0 | 0 | 115.2 | | |
| 441 | G | 32.1 | Very low | 37.3 | Very low | 62 Ų | 62 | 132 Ų | 132 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | | | trans | 86.3 | 71.6 | 145 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 442 | S | 28.4 | Very low | 37 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | -91.2 | 170.6 | 141.6 | -70.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 443 | P | 46.6 | Very low | 36.8 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | | | cis | -139.9 | -168.6 | 9.4 | 40.7 | -19.3 | 0 | 0 | 0 | 116.5 | | |
| 444 | K | 37.5 | Very low | 36.3 | Very low | 191 Ų | 191 | 139.2 Ų | 139.2 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | | | trans | -51.8 | 163.3 | 158.7 | -77.3 | 175.1 | -179.2 | 171.8 | 0 | 113.1 | | |
| 445 | P | 45.3 | Very low | 35.7 | Very low | 117 Ų | 117 | 135 Ų | 135 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | | | | -165.1 | 167.5 | 64.5 | 44.9 | -22.2 | 0 | 0 | 0 | 123.3 | | |
| 446 | S | 28.1 | Very low | 35.2 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | | | trans | 72.1 | 170.8 | 140.8 | -99.4 | 0 | 0 | 0 | 0 | 121.4 | | |
| 447 | P | 46.8 | Very low | 34.8 | Very low | 93 Ų | 93 | 140.2 Ų | 140.2 | 60% | 0.604 | 78% | 0.775 | S | S | * | * | | | cis | -139.8 | 166.8 | -14.2 | 32.8 | -12.6 | 0 | 0 | 0 | 117.9 | | |
| 448 | K | 33.8 | Very low | 34.7 | Very low | 199 Ų | 199 | 144.6 Ų | 144.6 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | | | trans | 66.5 | 149 | 153.1 | -66.5 | 153.4 | -173.3 | 178 | 0 | 119.1 | | |
| 449 | S | 30.3 | Very low | 34.6 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | cis | 116 | 112.6 | 0.7 | -174.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 450 | A | 32.3 | Very low | 34.1 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | | | trans | -159.7 | 164.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 451 | A | 33.7 | Very low | 34.1 | Very low | 94 Ų | 94 | 141 Ų | 141 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | | | trans | -67.1 | 160.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 452 | R | 35.4 | Very low | 34.1 | Very low | 221 Ų | 221 | 145.2 Ų | 145.2 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | | | cis | 88.6 | 108.7 | 10.8 | -156.1 | -177 | -155.2 | -157 | 8.2 | 118.5 | | |
| 453 | R | 34.2 | Very low | 34.2 | Very low | 192 Ų | 192 | 144.1 Ų | 144.1 | 73% | 0.725 | 77% | 0.767 | S | S | * | * | | | trans | 91.5 | 156.6 | 149.7 | -94.2 | 173.8 | 166.6 | -116.9 | -0 | 121.6 | | |
| 454 | Q | 27.3 | Very low | 33.5 | Very low | 143 Ų | 143 | 145.7 Ų | 145.7 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | | | trans | 63.8 | 124.7 | 179.8 | -35 | -54.7 | 54.5 | 0 | 0 | 115.3 | | |
| 455 | S | 34.6 | Very low | 33.2 | Very low | 85 Ų | 85 | 141.4 Ų | 141.4 | 59% | 0.594 | 76% | 0.762 | S | S | * | * | | | cis | 89.5 | 107.2 | 12.9 | 95.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 456 | Y | 31.9 | Very low | 32.5 | Very low | 221 Ų | 221 | 141.1 Ų | 141.1 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | | | trans | 55.1 | 115.8 | 159.3 | -61.2 | -80.2 | 0 | 0 | 0 | 120 | | |
| 457 | L | 29.7 | Very low | 32.5 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | | | | 174.9 | 160.6 | 114.2 | -98 | 167.9 | 0 | 0 | 0 | 115.1 | | |
| 458 | R | 33.6 | Very low | 31.7 | Very low | 240 Ų | 240 | 145.4 Ų | 145.4 | 91% | 0.906 | 76% | 0.757 | S | S | * | * | | | trans | 77.2 | 153.3 | 159 | -65.4 | -94.2 | 179.5 | 161.9 | -0 | 120.3 | | |
| 459 | A | 32.7 | Very low | 31.9 | Very low | 80 Ų | 80 | 141.2 Ų | 141.2 | 66% | 0.661 | 75% | 0.75 | S | S | * | * | | | trans | -158.9 | 171.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 460 | T | 30 | Very low | 32.8 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | | | trans | 69.8 | 159.2 | 159.6 | 54.4 | 0 | 0 | 0 | 0 | 122 | | |
| 461 | Q | 32 | Very low | 32.8 | Very low | 152 Ų | 152 | 147.6 Ų | 147.6 | 71% | 0.71 | 75% | 0.749 | S | S | * | * | | | trans | 86.5 | 149.7 | -172.8 | -55.2 | -154.4 | 104 | 0 | 0 | 115.2 | | |
| 462 | Q | 31.8 | Very low | 32.9 | Very low | 150 Ų | 150 | 150.4 Ų | 150.4 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | | | cis | -159.2 | 160.6 | -4.2 | -130.8 | -174.8 | 54 | 0 | 0 | 112 | | |
| 463 | S | 30.4 | Very low | 32.8 | Very low | 98 Ų | 98 | 145.7 Ų | 145.7 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | | | trans | 58.6 | 140.4 | 160 | -125.7 | 0 | 0 | 0 | 0 | 120 | | |
| 464 | L | 32.1 | Very low | 32.9 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | | | cis | 70.3 | 131.4 | 24.5 | -58.2 | 178 | 0 | 0 | 0 | 115.4 | | |
| 465 | S | 31.8 | Very low | 33.7 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | cis | -160.2 | 174.7 | -1 | -129 | 0 | 0 | 0 | 0 | 109.6 | | |
| 466 | D | 30.9 | Very low | 33.4 | Very low | 110 Ų | 110 | 144.2 Ų | 144.2 | 59% | 0.588 | 77% | 0.769 | S | S | * | * | | | cis | -124.6 | -103.2 | 0.6 | 168.8 | -145.5 | 0 | 0 | 0 | 109.7 | | |
| 467 | Q | 27.5 | Very low | 33.3 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | cis | -166.5 | 130 | -17.7 | -168.6 | 135.8 | 100.9 | 0 | 0 | 107.9 | | |
| 468 | L | 30.4 | Very low | 33.3 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 70% | 0.696 | 76% | 0.763 | S | S | * | * | | | cis | -132.6 | -174.2 | -14 | -118.5 | 169.3 | 0 | 0 | 0 | 106.3 | | |
| 469 | P | 38.4 | Very low | 33.3 | Very low | 111 Ų | 111 | 138 Ų | 138 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | | | | -110.1 | 145 | -122.7 | 35.5 | -21.9 | 0 | 0 | 0 | 117.3 | | |
| 470 | P | 49.1 | Very low | 33.6 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | trans | -126 | -164.3 | 179.6 | 45.5 | -33.6 | 0 | 0 | 0 | 113.1 | | |
| 471 | R | 31.1 | Very low | 33.3 | Very low | 242 Ų | 242 | 139.6 Ų | 139.6 | 91% | 0.913 | 75% | 0.749 | S | S | * | * | | | trans | -153.8 | 146.6 | 138.7 | -76.3 | -145.5 | 167.6 | -169 | -5.9 | 112 | | |
| 472 | N | 37.2 | Very low | 33 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | | | trans | -161.1 | 155.6 | -174 | -107.7 | -28.4 | 0 | 0 | 0 | 114.1 | | |
| 473 | C | 32.6 | Very low | 33 | Very low | 122 Ų | 122 | 138 Ų | 138 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | | | trans | 63.8 | 167.4 | 151.5 | -64.5 | 0 | 0 | 0 | 0 | 123.2 | | |
| 474 | L | 36.8 | Very low | 33.1 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 89% | 0.885 | 76% | 0.76 | S | S | * | * | | | trans | -84.1 | 176.6 | 175.3 | -51.1 | 169.3 | 0 | 0 | 0 | 111.6 | | |
| 475 | P | 43.9 | Very low | 32.9 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | | | cis | -132.1 | 176.5 | -17.2 | 39.3 | -22.8 | 0 | 0 | 0 | 115.1 | | |
| 476 | S | 27.6 | Very low | 32.9 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | | | trans | 60.1 | 126.9 | 149.6 | -153.4 | 0 | 0 | 0 | 0 | 123.9 | | |
| 477 | L | 29.7 | Very low | 32.7 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | | | trans | 77.7 | 146.9 | 148.5 | -109 | 158.7 | 0 | 0 | 0 | 122.2 | | |
| 478 | R | 30.2 | Very low | 32.8 | Very low | 203 Ų | 203 | 141.2 Ų | 141.2 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | | | trans | 74 | 125.5 | 177.2 | -68.1 | -154.8 | 128.7 | 138.9 | 7.1 | 117 | | |
| 479 | E | 33.6 | Very low | 33.1 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 61% | 0.612 | 75% | 0.745 | S | S | * | * | | | | 69.6 | 135.8 | 63 | -67.2 | -171 | 123.6 | 0 | 0 | 112.2 | | |
| 480 | L | 38.2 | Very low | 32.6 | Very low | 136 Ų | 136 | 142 Ų | 142 | 71% | 0.712 | 75% | 0.745 | S | S | * | * | | | cis | -165.7 | 155 | 0.5 | -116.9 | 167.7 | 0 | 0 | 0 | 108.9 | | |
| 481 | S | 24.4 | Very low | 31.7 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | | | trans | -169.7 | 134.1 | 148.3 | 163.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 482 | N | 26 | Very low | 31.6 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 68% | 0.679 | 74% | 0.738 | S | S | * | * | | | trans | -78.5 | 154.8 | 165.8 | -61.8 | -57.2 | 0 | 0 | 0 | 109.9 | | |
| 483 | N | 31.1 | Very low | 31.3 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | | | | -173.3 | 148.5 | 104 | -98.7 | -44.5 | 0 | 0 | 0 | 113.5 | | |
| 484 | R | 32 | Very low | 31.4 | Very low | 231 Ų | 231 | 132 Ų | 132 | 87% | 0.872 | 74% | 0.736 | S | S | * | * | | | trans | 23.1 | 141.9 | 135.1 | -76.2 | -174 | 177.5 | -151.2 | -0.4 | 119.1 | | |
| 485 | S | 28.8 | Very low | 31.9 | Very low | 85 Ų | 85 | 130.5 Ų | 130.5 | 59% | 0.594 | 74% | 0.736 | S | S | * | * | | | cis | -178.9 | 151.3 | 12.1 | 157.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 486 | L | 31.2 | Very low | 31.5 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | | | trans | 55.4 | 129.6 | 148 | -68.3 | 172.1 | 0 | 0 | 0 | 122 | | |
| 487 | D | 27.1 | Very low | 32 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 60% | 0.599 | 74% | 0.741 | S | S | * | * | | | | 98 | 124.9 | 119.9 | -77.3 | 4.2 | 0 | 0 | 0 | 124.8 | | |
| 488 | N | 28.6 | Very low | 32.2 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 65% | 0.652 | 75% | 0.748 | S | S | * | * | | | trans | 66.4 | 151.8 | 130.6 | -59 | -21.9 | 0 | 0 | 0 | 120.4 | | |
| 489 | L | 37.1 | Very low | 32.2 | Very low | 125 Ų | 125 | 123.9 Ų | 123.9 | 65% | 0.654 | 75% | 0.745 | S | S | * | * | | | cis | -165.5 | 152.5 | -22 | -107.8 | 167 | 0 | 0 | 0 | 106 | | |
| 490 | D | 28.9 | Very low | 32.3 | Very low | 134 Ų | 134 | 123.4 Ų | 123.4 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | | | trans | 54.2 | 159.3 | 146.1 | -68.2 | -2 | 0 | 0 | 0 | 121.4 | | |
| 491 | C | 29.8 | Very low | 31.7 | Very low | 93 Ų | 93 | 128.1 Ų | 128.1 | 63% | 0.628 | 76% | 0.762 | S | S | * | * | | | cis | -162.6 | 159.8 | -25.4 | -115.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 492 | I | 29.5 | Very low | 31.7 | Very low | 172 Ų | 172 | 131.5 Ų | 131.5 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | | | trans | 62.1 | 127.6 | 146.1 | -62.1 | 161.3 | 0 | 0 | 0 | 119.6 | | |
| 493 | G | 29.7 | Very low | 31.8 | Very low | 81 Ų | 81 | 133.5 Ų | 133.5 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | | | trans | 162.8 | 114.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 494 | G | 35.7 | Very low | 31.6 | Very low | 72 Ų | 72 | 133.8 Ų | 133.8 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | trans | -153.1 | 170 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 495 | P | 46.8 | Very low | 31.4 | Very low | 138 Ų | 138 | 127.7 Ų | 127.7 | 90% | 0.896 | 77% | 0.765 | S | S | * | * | | | cis | -138.8 | -157.1 | 40.1 | 38.4 | -16 | 0 | 0 | 0 | 115.3 | | |
| 496 | G | 35.4 | Very low | 31.4 | Very low | 76 Ų | 76 | 133.2 Ų | 133.2 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | | | trans | -95.1 | -158.3 | -173 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 497 | A | 39.2 | Very low | 31.3 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | | | cis | -163.9 | -175.4 | 11.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 498 | L | 32.6 | Very low | 31.4 | Very low | 185 Ų | 185 | 134.8 Ų | 134.8 | 97% | 0.969 | 79% | 0.789 | S | S | * | * | | | trans | 95.7 | 158.2 | 170.4 | -55.8 | -177.2 | 0 | 0 | 0 | 119.3 | | |
| 499 | A | 30.4 | Very low | 31.4 | Very low | 84 Ų | 84 | 133.8 Ų | 133.8 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | | | trans | -120.4 | 175.9 | -158.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 500 | P | 35.3 | Very low | 30.8 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | | | | -135.7 | -147.1 | 75.5 | 34.1 | -13.7 | 0 | 0 | 0 | 114.8 | | |
| 501 | W | 27 | Very low | 30.7 | Very low | 235 Ų | 235 | 132 Ų | 132 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | | | trans | -116.3 | -178.3 | -148.5 | -41.4 | -45.2 | 0 | 0 | 0 | 117.5 | | |
| 502 | E | 24.7 | Very low | 30.6 | Very low | 184 Ų | 184 | 133.7 Ų | 133.7 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | | | trans | 67.6 | 150.4 | 179.2 | -66.7 | -172.3 | 163.3 | 0 | 0 | 117.8 | | |
| 503 | E | 26.6 | Very low | 30.7 | Very low | 169 Ų | 169 | 133 Ų | 133 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | cis | -150 | 151.3 | -47.3 | -174.1 | 155.4 | -164.6 | 0 | 0 | 108.6 | | |
| 504 | D | 27.8 | Very low | 30.4 | Very low | 148 Ų | 148 | 133 Ų | 133 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | 72.2 | 153 | 165.2 | -117.7 | -25.7 | 0 | 0 | 0 | 121.9 | | |
| 505 | S | 28.2 | Very low | 30.2 | Very low | 104 Ų | 104 | 140 Ų | 140 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | 72.7 | 84.3 | 162.6 | -61.8 | 0 | 0 | 0 | 0 | 122.6 | | |
| 506 | F | 28.5 | Very low | 29.4 | Very low | 200 Ų | 200 | 143.4 Ų | 143.4 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | | | | 60.6 | 101.2 | 121.6 | -132 | -97 | 0 | 0 | 0 | 122.1 | | |
| 507 | S | 28.8 | Very low | 29.1 | Very low | 94 Ų | 94 | 144 Ų | 144 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | | | trans | 83.7 | 123 | 143.5 | -62.6 | 0 | 0 | 0 | 0 | 124.2 | | |
| 508 | Q | 29.1 | Very low | 28.7 | Very low | 195 Ų | 195 | 142.8 Ų | 142.8 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | | | trans | 80.7 | 148.6 | 139 | -85.2 | -174.1 | -12.8 | 0 | 0 | 123.9 | | |
| 509 | A | 28.3 | Very low | 28.7 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | | | trans | 87.2 | 163.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 510 | C | 25.5 | Very low | 28.6 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | | | trans | -137.8 | 163.6 | -149.4 | -52.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 511 | S | 26.6 | Very low | 28.2 | Very low | 103 Ų | 103 | 143.4 Ų | 143.4 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | | | trans | 88.4 | 118.7 | 144.6 | -59.5 | 0 | 0 | 0 | 0 | 122.8 | | |
| 512 | T | 27.8 | Very low | 28.5 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | | | trans | 61.6 | 127.9 | 136.3 | 60.1 | 0 | 0 | 0 | 0 | 122.4 | | |
| 513 | L | 31.4 | Very low | 28.8 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | | 162.4 | 137.4 | 90 | -158.5 | 79 | 0 | 0 | 0 | 115.6 | | |
| 514 | S | 23.6 | Very low | 28.8 | Very low | 83 Ų | 83 | 139 Ų | 139 | 58% | 0.58 | 77% | 0.768 | S | S | * | * | | | trans | 65.9 | 129.2 | 145.9 | -86.5 | 0 | 0 | 0 | 0 | 126.8 | | |
| 515 | R | 31.6 | Very low | 29 | Very low | 219 Ų | 219 | 138.8 Ų | 138.8 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | | | | 87.3 | 108.9 | 124.3 | -71.7 | 171.8 | -170.5 | -122.6 | -1.5 | 125.4 | | |
| 516 | R | 29.4 | Very low | 28.9 | Very low | 209 Ų | 209 | 140.2 Ų | 140.2 | 79% | 0.789 | 76% | 0.761 | S | S | * | * | | | | 88.5 | 142.5 | 104.1 | -159 | -173.3 | -167 | -89.8 | 9.9 | 122.9 | | |
| 517 | S | 29.2 | Very low | 28.8 | Very low | 89 Ų | 89 | 138.6 Ų | 138.6 | 62% | 0.622 | 75% | 0.753 | S | S | * | * | | | trans | 74 | 152.1 | 163.2 | -76.8 | 0 | 0 | 0 | 0 | 117.5 | | |
| 518 | G | 29.9 | Very low | 28.6 | Very low | 71 Ų | 71 | 138.1 Ų | 138.1 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | | | cis | 173.8 | -176.3 | -2.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 519 | I | 32.6 | Very low | 28.5 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 82% | 0.815 | 74% | 0.74 | S | S | * | * | | | cis | -173.1 | 145.6 | -11.8 | -104.2 | 158.1 | 0 | 0 | 0 | 109.8 | | |
| 520 | G | 28.6 | Very low | 28.4 | Very low | 68 Ų | 68 | 138.8 Ų | 138.8 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | | | trans | 96 | 163.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 521 | Q | 28.4 | Very low | 28.3 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | | | cis | -161.6 | 179.6 | -3.1 | -76.7 | -157.5 | 36 | 0 | 0 | 108.9 | | |
| 522 | L | 31.6 | Very low | 28.3 | Very low | 137 Ų | 137 | 145.1 Ų | 145.1 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | | | cis | 177.3 | 153.2 | -43.4 | -151.2 | 153.4 | 0 | 0 | 0 | 107.5 | | |
| 523 | R | 31.2 | Very low | 28.1 | Very low | 213 Ų | 213 | 144.4 Ų | 144.4 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | | | trans | 83.2 | 152.6 | 173.4 | -69.8 | -166.8 | -68.7 | -151.1 | -1.2 | 118.6 | | |
| 524 | D | 28 | Very low | 28.1 | Very low | 146 Ų | 146 | 146.5 Ų | 146.5 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | | | cis | -172.8 | -177.2 | -29.6 | -136.2 | -48.1 | 0 | 0 | 0 | 111.8 | | |
| 525 | L | 30 | Very low | 28.2 | Very low | 142 Ų | 142 | 147.4 Ų | 147.4 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | | | trans | 100.9 | 87.3 | 148.4 | -156.1 | 74.7 | 0 | 0 | 0 | 123.1 | | |
| 526 | E | 27.6 | Very low | 28 | Very low | 135 Ų | 135 | 141 Ų | 141 | 63% | 0.631 | 72% | 0.718 | S | S | * | * | | | | 48 | 149.9 | 123.4 | -91.2 | -162 | 121.7 | 0 | 0 | 128.3 | | |
| 527 | K | 26.3 | Very low | 27.7 | Very low | 166 Ų | 166 | 139.7 Ų | 139.7 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | | | trans | 77.2 | 147.3 | 144.7 | -79.2 | 163.9 | 173.8 | 132.9 | 0 | 120.7 | | |
| 528 | S | 24.9 | Very low | 27.6 | Very low | 84 Ų | 84 | 140.3 Ų | 140.3 | 59% | 0.587 | 73% | 0.725 | S | S | * | * | | | cis | -172.9 | 160.2 | -19.3 | -141 | 0 | 0 | 0 | 0 | 115.4 | | |
| 529 | H | 27.1 | Very low | 27.5 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 71% | 0.708 | 73% | 0.725 | S | S | * | * | | | trans | 74.8 | 120.4 | 150.5 | -58.9 | -50.3 | 0 | 0 | 0 | 127.2 | | |
| 530 | H | 25.4 | Very low | 27 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | | | trans | 39 | 133 | 133.2 | -47.6 | -63.6 | 0 | 0 | 0 | 126.7 | | |
| 531 | Y | 24.2 | Very low | 27 | Very low | 199 Ų | 199 | 149.8 Ų | 149.8 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | | | | -177.2 | 134 | 105.6 | -111 | -106.6 | 0 | 0 | 0 | 108.9 | | |
| 532 | E | 25.1 | Very low | 26.8 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | | | | 58.6 | 143.3 | 91.3 | -111.3 | -177 | -146.6 | 0 | 0 | 115.7 | | |
| 533 | D | 25 | Very low | 26.7 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 60% | 0.599 | 72% | 0.716 | S | S | * | * | | | cis | -158 | 169.5 | 8.6 | -171.5 | 18.7 | 0 | 0 | 0 | 112.6 | | |
| 534 | R | 30.5 | Very low | 26.4 | Very low | 201 Ų | 201 | 142.5 Ų | 142.5 | 76% | 0.758 | 72% | 0.717 | S | S | * | * | | | trans | 83.9 | 119.9 | 144 | -102.4 | 164.2 | -147.4 | -110.6 | -11.3 | 126.4 | | |
| 535 | S | 25.8 | Very low | 26.3 | Very low | 102 Ų | 102 | 140.7 Ų | 140.7 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | | | | 57.8 | 148.2 | 127.4 | -79.9 | 0 | 0 | 0 | 0 | 122.3 | | |
| 536 | S | 27.6 | Very low | 26 | Very low | 84 Ų | 84 | 141.6 Ų | 141.6 | 59% | 0.587 | 72% | 0.715 | S | S | * | * | | | cis | -158.5 | 145.4 | -6.5 | -107.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 537 | E | 23.7 | Very low | 25.8 | Very low | 182 Ų | 182 | 141 Ų | 141 | 85% | 0.85 | 72% | 0.716 | S | S | * | * | | | | 65.8 | 134 | 92.7 | -144 | 173.7 | 173.5 | 0 | 0 | 113.2 | | |
| 538 | S | 25.2 | Very low | 25.9 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | | | cis | -144.5 | 136.5 | 22.3 | 55 | 0 | 0 | 0 | 0 | 110.9 | | |
| 539 | A | 27.9 | Very low | 26 | Very low | 89 Ų | 89 | 141.1 Ų | 141.1 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | | | | 60.3 | 116.5 | 77.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 540 | F | 23.8 | Very low | 26.1 | Very low | 208 Ų | 208 | 140.7 Ų | 140.7 | 91% | 0.912 | 72% | 0.723 | S | S | * | * | | | trans | -162 | 158.9 | 131.8 | -128.8 | -92.3 | 0 | 0 | 0 | 113 | | |
| 541 | R | 26.8 | Very low | 26.6 | Very low | 199 Ų | 199 | 138.9 Ų | 138.9 | 75% | 0.751 | 73% | 0.725 | S | S | * | * | | | trans | -99.5 | -172.4 | 178.3 | -53.9 | 173.5 | 112.5 | -130.6 | 13.1 | 110.5 | | |
| 542 | D | 24.9 | Very low | 26.9 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 62% | 0.615 | 72% | 0.721 | S | S | * | * | | | cis | -147.8 | 139.4 | 18.6 | -93.2 | -54.1 | 0 | 0 | 0 | 108.7 | | |
| 543 | S | 29.9 | Very low | 27.1 | Very low | 84 Ų | 84 | 134.9 Ų | 134.9 | 59% | 0.587 | 72% | 0.722 | S | S | * | * | | | | 67.4 | 108.4 | 79.4 | -59.8 | 0 | 0 | 0 | 0 | 116.7 | | |
| 544 | H | 25.8 | Very low | 27.7 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 82% | 0.815 | 73% | 0.732 | S | S | * | * | | | | -171.4 | 150 | 112.6 | -113 | -81 | 0 | 0 | 0 | 114.9 | | |
| 545 | C | 24.5 | Very low | 28.1 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | | | trans | 28.9 | 130.6 | 164.4 | -62.2 | 0 | 0 | 0 | 0 | 122.2 | | |
| 546 | Q | 23.3 | Very low | 28.4 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | | | cis | 107.9 | 140.9 | 23.5 | -176.1 | 68.6 | 45.6 | 0 | 0 | 112.4 | | |
| 547 | D | 25 | Very low | 29 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 66% | 0.658 | 75% | 0.747 | S | S | * | * | | | trans | 71.8 | 143 | 177.7 | -71.4 | 1.4 | 0 | 0 | 0 | 117.4 | | |
| 548 | I | 27.5 | Very low | 29.3 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | | | cis | -146.4 | 145.6 | 4.8 | -126.5 | 158.1 | 0 | 0 | 0 | 113.1 | | |
| 549 | S | 27.7 | Very low | 29.5 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | | | trans | 38.1 | 128.6 | 156.7 | -52 | 0 | 0 | 0 | 0 | 124.2 | | |
| 550 | E | 28.3 | Very low | 29.4 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | | | trans | -68.8 | 172.4 | 158.8 | -135.9 | -157 | 125.8 | 0 | 0 | 112.8 | L552 | E550-L552 VanDerWaalsContact OE1-CD1 3.26Å; E550-L552 WeakPolarHBondContact OE1-CD1 3.2Å; E550-L552 PolarHBondContact OE1-N 3.18Å |
| 551 | P | 37.1 | Very low | 29.8 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | | | | -148.6 | 151.2 | 68.4 | 38.1 | -17.9 | 0 | 0 | 0 | 118.9 | | |
| 552 | L | 28.6 | Very low | 30 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 68% | 0.681 | 74% | 0.74 | S | S | * | * | | | | 30.5 | 138 | 124.4 | -121.4 | 74.1 | 0 | 0 | 0 | 118.9 | E550 | E550-L552 VanDerWaalsContact OE1-CD1 3.26Å; E550-L552 WeakPolarHBondContact OE1-CD1 3.2Å; E550-L552 PolarHBondContact OE1-N 3.18Å |
| 553 | D | 31 | Very low | 30.5 | Very low | 142 Ų | 142 | 142.8 Ų | 142.8 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | | | cis | 177.6 | 175 | 41.6 | -163.6 | -1.6 | 0 | 0 | 0 | 109.7 | | |
| 554 | M | 36.6 | Very low | 30.5 | Very low | 167 Ų | 167 | 144.5 Ų | 144.5 | 82% | 0.823 | 77% | 0.769 | S | S | * | * | | | trans | -139.3 | 119.4 | 178.9 | 175.9 | 133.7 | 57.4 | 0 | 0 | 114.1 | | |
| 555 | P | 38.9 | Very low | 31.2 | Very low | 123 Ų | 123 | 145 Ų | 145 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 134.1 | 174.1 | 35 | -29.6 | 0 | 0 | 0 | 114.6 | | |
| 556 | M | 31.8 | Very low | 31.6 | Very low | 175 Ų | 175 | 144.5 Ų | 144.5 | 86% | 0.862 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 160.1 | 166.3 | -90.5 | -81.3 | -74.5 | 0 | 0 | 112.3 | | |
| 557 | P | 40.4 | Very low | 31.8 | Very low | 109 Ų | 109 | 146.9 Ų | 146.9 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 140.7 | -171.9 | 34.9 | -33.7 | 0 | 0 | 0 | 114.2 | | |
| 558 | T | 30.3 | Very low | 32.2 | Very low | 144 Ų | 144 | 147.6 Ų | 147.6 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | | | trans | -133.1 | 153.1 | 163.5 | 52.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 559 | C | 28.7 | Very low | 32.6 | Very low | 102 Ų | 102 | 153 Ų | 153 | 69% | 0.689 | 79% | 0.787 | S | S | * | * | | | trans | -91.2 | -172.7 | -176.1 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 560 | F | 27 | Very low | 32.8 | Very low | 172 Ų | 172 | 151.2 Ų | 151.2 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | | | trans | 77 | 138.9 | -171.7 | -68.7 | -107.5 | 0 | 0 | 0 | 114.5 | | |
| 561 | R | 32.7 | Very low | 33 | Very low | 210 Ų | 210 | 152.2 Ų | 152.2 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | | | cis | -158.4 | 174.7 | -11.1 | -138.2 | -170.7 | -163.1 | -160.9 | 4 | 112.4 | | |
| 562 | S | 31 | Very low | 32.8 | Very low | 98 Ų | 98 | 156.1 Ų | 156.1 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | | | trans | 18.4 | 125.8 | 152.7 | 53.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 563 | R | 33.6 | Very low | 33 | Very low | 260 Ų | 260 | 154.5 Ų | 154.5 | 98% | 0.981 | 80% | 0.8 | S | S | * | * | | | trans | -90.5 | 102 | -176.2 | -175.7 | -169.7 | -170.7 | -144.2 | 6.6 | 114.4 | | |
| 564 | S | 31.4 | Very low | 32.9 | Very low | 120 Ų | 120 | 151.1 Ų | 151.1 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | | | trans | -145.8 | 155.9 | 147.2 | 51.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 565 | H | 40.4 | Very low | 32.6 | Very low | 187 Ų | 187 | 148.9 Ų | 148.9 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | | | trans | -121.6 | 174.5 | -157 | -166.6 | 61.1 | 0 | 0 | 0 | 113.7 | | |
| 566 | S | 33.4 | Very low | 32.2 | Very low | 96 Ų | 96 | 148.3 Ų | 148.3 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | | | trans | 67.7 | 88.8 | 171.9 | 69.8 | 0 | 0 | 0 | 0 | 119.3 | | |
| 567 | Y | 27.4 | Very low | 32.2 | Very low | 213 Ų | 213 | 147.3 Ų | 147.3 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | | | | -155 | 162.9 | 116.3 | -134.8 | -126.3 | 0 | 0 | 0 | 111 | | |
| 568 | L | 32.7 | Very low | 31.7 | Very low | 138 Ų | 138 | 148.1 Ų | 148.1 | 72% | 0.723 | 79% | 0.789 | S | S | * | * | | | trans | 52.1 | 91.2 | 170.1 | -54.2 | 179.3 | 0 | 0 | 0 | 118.9 | | |
| 569 | R | 35.7 | Very low | 31.8 | Very low | 255 Ų | 255 | 148.7 Ų | 148.7 | 96% | 0.962 | 79% | 0.786 | S | S | * | * | | | | -100.2 | 108.6 | 118.8 | -89.3 | -165.8 | -64.3 | -148.4 | -1.8 | 107.6 | | |
| 570 | A | 31.9 | Very low | 32 | Very low | 72 Ų | 72 | 150.5 Ų | 150.5 | 60% | 0.595 | 79% | 0.789 | S | S | * | * | | | trans | -167.9 | 154.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 571 | I | 33.1 | Very low | 32.1 | Very low | 165 Ų | 165 | 148.8 Ų | 148.8 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | trans | 64.7 | 84.3 | 169.6 | -43.3 | 176 | 0 | 0 | 0 | 115.1 | | |
| 572 | Q | 33.1 | Very low | 31.9 | Very low | 201 Ų | 201 | 143.3 Ų | 143.3 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | | | trans | -139.2 | 81.3 | 145.9 | -161.1 | 172 | 9.1 | 0 | 0 | 109.1 | | |
| 573 | A | 32.2 | Very low | 31.7 | Very low | 96 Ų | 96 | 144 Ų | 144 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | | | trans | -158.2 | 125.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 574 | G | 29.6 | Very low | 31.6 | Very low | 70 Ų | 70 | 139.7 Ų | 139.7 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | | | trans | 142.9 | 37.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 575 | C | 29.7 | Very low | 31.3 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | 55 | 156.8 | 141.8 | -52.8 | 0 | 0 | 0 | 0 | 123.1 | | |
| 576 | S | 30.8 | Very low | 30.9 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | 85.6 | 148.4 | 145.4 | 78.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 577 | Q | 31.3 | Very low | 30.6 | Very low | 154 Ų | 154 | 137 Ų | 137 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | | | cis | -176.1 | 147.4 | -22.5 | 168 | 165.3 | -20.9 | 0 | 0 | 109.1 | | |
| 578 | D | 29.1 | Very low | 30.5 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 67% | 0.674 | 80% | 0.798 | S | S | * | * | | | trans | 59.3 | 162.3 | 170.9 | -54.2 | -19.8 | 0 | 0 | 0 | 115.3 | | |
| 579 | D | 33 | Very low | 30.3 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | | | cis | -142.4 | 168.1 | 14.8 | -121.6 | -47.1 | 0 | 0 | 0 | 111.8 | | |
| 580 | D | 32.1 | Very low | 30.7 | Very low | 141 Ų | 141 | 125.2 Ų | 125.2 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | | | trans | -79.5 | 163.5 | -177.8 | -81.6 | -62.7 | 0 | 0 | 0 | 115.7 | | |
| 581 | T | 29.8 | Very low | 30.9 | Very low | 136 Ų | 136 | 127.5 Ų | 127.5 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | | | | 159.4 | 145.6 | 114.6 | 43.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 582 | A | 29.3 | Very low | 31.2 | Very low | 95 Ų | 95 | 125.2 Ų | 125.2 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | 44.5 | 126.5 | 158.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 583 | S | 26.8 | Very low | 30.9 | Very low | 111 Ų | 111 | 122.7 Ų | 122.7 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | cis | 73.4 | 97.6 | 38.1 | -162.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 584 | I | 30.6 | Very low | 30.4 | Very low | 170 Ų | 170 | 125.6 Ų | 125.6 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | | | trans | 175.2 | 157.4 | 144.5 | 43.7 | 164.9 | 0 | 0 | 0 | 107.9 | | |
| 585 | D | 26 | Very low | 30.2 | Very low | 153 Ų | 153 | 127.1 Ų | 127.1 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | cis | -158.5 | 170.8 | -32.9 | -171 | 15.2 | 0 | 0 | 0 | 107.1 | | |
| 586 | S | 31.8 | Very low | 30.1 | Very low | 118 Ų | 118 | 125.9 Ų | 125.9 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -115.7 | 151.9 | -172.8 | -68.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 587 | G | 26.3 | Very low | 29.9 | Very low | 77 Ų | 77 | 127 Ų | 127 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | | | trans | 119.3 | 164.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 588 | C | 25.2 | Very low | 29.8 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 90% | 0.899 | 79% | 0.787 | S | S | * | * | | | cis | -158.3 | 170.4 | -11.9 | -156.5 | 0 | 0 | 0 | 0 | 111 | | |
| 589 | S | 28.2 | Very low | 29.7 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | trans | -88.4 | 179.7 | 173.5 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 590 | P | 44.4 | Very low | 29.4 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | | | cis | -110.7 | -108.4 | -2 | 26.6 | -2 | 0 | 0 | 0 | 112.2 | | |
| 591 | P | 35.8 | Very low | 29.1 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | | | cis | -100.7 | 179.5 | 0.5 | 42 | -35.9 | 0 | 0 | 0 | 114.6 | | |
| 592 | P | 39.7 | Very low | 29 | Very low | 116 Ų | 116 | 128 Ų | 128 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | trans | -109.4 | 161.3 | -178.3 | 39.7 | -31.8 | 0 | 0 | 0 | 115.8 | | |
| 593 | T | 26.4 | Very low | 29.2 | Very low | 149 Ų | 149 | 126.7 Ų | 126.7 | 91% | 0.914 | 77% | 0.773 | S | S | * | * | | | trans | -140 | 154.8 | 163.3 | 49.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 594 | D | 23 | Very low | 30 | Very low | 156 Ų | 156 | 127.6 Ų | 127.6 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | -117.6 | 171.4 | -158.3 | -174.1 | 28.4 | 0 | 0 | 0 | 114.5 | | |
| 595 | S | 24.5 | Very low | 30.7 | Very low | 102 Ų | 102 | 123.5 Ų | 123.5 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | | | trans | 94.9 | 160.1 | 153.6 | 83.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 596 | S | 26.9 | Very low | 31.8 | Very low | 96 Ų | 96 | 121.8 Ų | 121.8 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | | | trans | 73.8 | 70.4 | 167.2 | -171.9 | 0 | 0 | 0 | 0 | 118.8 | R598 | S596-R598 PolarHBondContact O-N 3.3Š|
| 597 | V | 27.8 | Very low | 32.6 | Very low | 134 Ų | 134 | 122.9 Ų | 122.9 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | | | trans | -58 | 131.5 | 149.7 | 174.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 598 | R | 28.2 | Very low | 34.1 | Very low | 179 Ų | 179 | 121.4 Ų | 121.4 | 68% | 0.675 | 72% | 0.718 | S | S | * | * | | | trans | -127.7 | 112.2 | 157.4 | -83.4 | -165.1 | 174.2 | -153.5 | -2.1 | 110.3 | S596 Y600 | S596-R598 PolarHBondContact O-N 3.3Å; R598-Y600 HydrophobicContact CB-CD2 4.33Å; R598-Y600 HydrophobicContact CB-CE2 3.81Å; R598-Y600 VanDerWaalsContact CD-OH 3.29Å; R598-Y600 WeakPolarHBondContact CD-OH 3.32Å; R598-Y600 PolarHBondContact NH1-OH 2.95Å; R598-Y600 PolarHBondContact O-N 2.86Å |
| 599 | T | 27.6 | Very low | 35.7 | Very low | 124 Ų | 124 | 118 Ų | 118 | 76% | 0.761 | 69% | 0.693 | S | S | * | * | | | trans | -67.1 | 119.4 | 165.7 | -48.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 600 | Y | 26.4 | Very low | 37.3 | Very low | 172 Ų | 172 | 119.3 Ų | 119.3 | 68% | 0.675 | 69% | 0.688 | S | S | * | * | | | trans | -108.5 | 112.9 | 164.1 | -72 | -73.3 | 0 | 0 | 0 | 108.6 | R598 T602 | R598-Y600 HydrophobicContact CB-CD2 4.33Å; R598-Y600 HydrophobicContact CB-CE2 3.81Å; R598-Y600 VanDerWaalsContact CD-OH 3.29Å; R598-Y600 WeakPolarHBondContact CD-OH 3.32Å; R598-Y600 PolarHBondContact NH1-OH 2.95Å; R598-Y600 PolarHBondContact O-N 2.86Å; Y600-T602 PolarHBondContact O-N 2.87Å |
| 601 | S | 26.8 | Very low | 38 | Very low | 110 Ų | 110 | 121.4 Ų | 121.4 | 77% | 0.769 | 68% | 0.68 | S | S | * | * | | | trans | -62.9 | 124.6 | 167 | -54.8 | 0 | 0 | 0 | 0 | 108.5 | S603 | S601-S603 PolarHBondContact O-N 3.38Š|
| 602 | T | 28 | Very low | 39.5 | Very low | 147 Ų | 147 | 120.8 Ų | 120.8 | 90% | 0.902 | 67% | 0.666 | S | S | * | * | | | trans | -71.9 | 79.9 | 176.1 | 42 | 0 | 0 | 0 | 0 | 110.6 | Y600 | Y600-T602 PolarHBondContact O-N 2.87Š|
| 603 | S | 32.2 | Very low | 41.2 | Very low | 68 Ų | 68 | 119 Ų | 119 | 48% | 0.476 | 65% | 0.652 | S | S | . | * | | | trans | -70 | 154.3 | 167.4 | -166.9 | 0 | 0 | 0 | 0 | 110.5 | S601 D605 | S601-S603 PolarHBondContact O-N 3.38Å; S603-D605 WeakPolarHBondContact CB-OD2 3.31Å; S603-D605 PolarHBondContact O-N 3.41Å; S603-D605 VanDerWaalsContact O-N 3.1Å; S603-D605 PolarHBondContact OG-OD2 3.37Å |
| 604 | T | 44.2 | Very low | 43.7 | Very low | 130 Ų | 130 | 116.7 Ų | 116.7 | 80% | 0.798 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 3.5 | 177 | 45.5 | 0 | 0 | 0 | 0 | 113.8 | D606 | T604-D606 PolarHBondContact O-N 2.66Š|
| 605 | D | 45.6 | Very low | 46 | Very low | 85 Ų | 85 | 115.5 Ų | 115.5 | 46% | 0.455 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.3 | -26.2 | -176.1 | -71.8 | -67.8 | 0 | 0 | 0 | 114.8 | S603 L607 S608 T609 | S603-D605 WeakPolarHBondContact CB-OD2 3.31Å; S603-D605 PolarHBondContact O-N 3.41Å; S603-D605 VanDerWaalsContact O-N 3.1Å; S603-D605 PolarHBondContact OG-OD2 3.37Å; D605-L607 VanDerWaalsContact C-N 3.3Å; D605-L607 PolarHBondContact O-N 3.49Å; D605-S608 CarbonylContact O-C 3.53Å; D605-S608 VanDerWaalsContact O-CA 3.29Å; D605-S608 WeakPolarHBondContact O-CA 3.42Å; D605-S608 WeakPolarHBondContact O-CB 3.49Å; D605-S608 PolarHBondContact O-N 2.92Å; D605-T609 PolarHBondContact O-N 2.95Å; D605-T609 PolarHBondContact O-OG1 3.07Å |
| 606 | D | 49.4 | Very low | 48.4 | Very low | 116 Ų | 116 | 116.7 Ų | 116.7 | 62% | 0.62 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.8 | -26.6 | -174.8 | -91.7 | -26.3 | 0 | 0 | 0 | 114.1 | T604 S608 T609 Q610 | T604-D606 PolarHBondContact O-N 2.66Å; D606-S608 VanDerWaalsContact C-N 3.34Å; D606-T609 WeakPolarHBondContact CA-OG1 3.33Å; D606-T609 PolarHBondContact O-OG1 2.85Å; D606-T609 VanDerWaalsContact O-OG1 3.05Å; D606-Q610 WeakPolarHBondContact O-CB 3.19Å; D606-Q610 VanDerWaalsContact O-CG 3.31Å; D606-Q610 WeakPolarHBondContact O-CG 3.3Å; D606-Q610 PolarHBondContact O-N 2.9Å; D606-Q610 VanDerWaalsContact O-N 3.13Å |
| 607 | L | 48.6 | Very low | 50.9 | Low | 142 Ų | 142 | 118.4 Ų | 118.4 | 74% | 0.743 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72.6 | -32.5 | 168.5 | -124.2 | 73.1 | 0 | 0 | 0 | 111.3 | D605 W611 | D605-L607 VanDerWaalsContact C-N 3.3Å; D605-L607 PolarHBondContact O-N 3.49Å; L607-W611 VanDerWaalsContact O-CB 3.24Å; L607-W611 WeakPolarHBondContact O-CB 3.31Å; L607-W611 PolarHBondContact O-N 3.25Å |
| 608 | S | 56.2 | Low | 53.4 | Low | 46 Ų | 46 | 114.3 Ų | 114.3 | 32% | 0.322 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.8 | -41.8 | 177.4 | -165 | 0 | 0 | 0 | 0 | 111.6 | D605 D606 K612 | D605-S608 CarbonylContact O-C 3.53Å; D605-S608 VanDerWaalsContact O-CA 3.29Å; D605-S608 WeakPolarHBondContact O-CA 3.42Å; D605-S608 WeakPolarHBondContact O-CB 3.49Å; D605-S608 PolarHBondContact O-N 2.92Å; D606-S608 VanDerWaalsContact C-N 3.34Å; S608-K612 WeakPolarHBondContact O-CB 3.28Å; S608-K612 VanDerWaalsContact O-CD 3.25Å; S608-K612 WeakPolarHBondContact O-CD 3.47Å; S608-K612 WeakPolarHBondContact O-CG 3.46Å; S608-K612 PolarHBondContact O-N 2.84Å; S608-K612 WeakPolarHBondContact OG-CE 3.37Å; S608-K612 PolarHBondContact OG-NZ 3.41Å |
| 609 | T | 59.9 | Low | 55.6 | Low | 61 Ų | 61 | 107.7 Ų | 107.7 | 37% | 0.374 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.1 | -47.9 | 175.4 | 57.9 | 0 | 0 | 0 | 0 | 110.7 | D605 D606 W611 K612 T613 | D605-T609 PolarHBondContact O-N 2.95Å; D605-T609 PolarHBondContact O-OG1 3.07Å; D606-T609 WeakPolarHBondContact CA-OG1 3.33Å; D606-T609 PolarHBondContact O-OG1 2.85Å; D606-T609 VanDerWaalsContact O-OG1 3.05Å; T609-W611 PolarHBondContact O-N 3.33Å; T609-K612 PolarHBondContact O-N 2.83Å; T609-T613 WeakPolarHBondContact O-CB 3.38Å; T609-T613 PolarHBondContact O-N 2.84Å; T609-T613 PolarHBondContact O-OG1 3.47Å |
| 610 | Q | 61.7 | Low | 58.1 | Low | 133 Ų | 133 | 105 Ų | 105 | 62% | 0.621 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59 | -43.7 | 175.3 | -74.3 | -175.7 | 46.7 | 0 | 0 | 112.5 | D606 T613 W614 | D606-Q610 WeakPolarHBondContact O-CB 3.19Å; D606-Q610 VanDerWaalsContact O-CG 3.31Å; D606-Q610 WeakPolarHBondContact O-CG 3.3Å; D606-Q610 PolarHBondContact O-N 2.9Å; D606-Q610 VanDerWaalsContact O-N 3.13Å; Q610-T613 PolarHBondContact O-N 3.31Å; Q610-W614 VanDerWaalsContact O-CB 3.32Å; Q610-W614 WeakPolarHBondContact O-CB 3.44Å; Q610-W614 PolarHBondContact O-N 2.64Å |
| 611 | W | 59.3 | Low | 60.6 | Low | 163 Ų | 163 | 101.2 Ų | 101.2 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.2 | -40.2 | 176.9 | -178.8 | -110.2 | 0 | 0 | 0 | 112.8 | L607 T609 W614 K615 | L607-W611 VanDerWaalsContact O-CB 3.24Å; L607-W611 WeakPolarHBondContact O-CB 3.31Å; L607-W611 PolarHBondContact O-N 3.25Å; T609-W611 PolarHBondContact O-N 3.33Å; W611-W614 HydrophobicContact CE3-CE3 4.37Å; W611-W614 HydrophobicContact CH2-CZ3 4.42Å; W611-W614 HydrophobicContact CZ3-CE3 4.14Å; W611-W614 HydrophobicContact CZ3-CZ3 4.39Å; W611-K615 VanDerWaalsContact O-CB 3.23Å; W611-K615 WeakPolarHBondContact O-CB 3.44Å; W611-K615 PolarHBondContact O-N 2.91Å |
| 612 | K | 67.4 | Low | 63.1 | Low | 108 Ų | 108 | 96.4 Ų | 96.4 | 47% | 0.47 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -51 | 173.2 | -73.7 | 159.9 | -174.9 | 152.8 | 0 | 111 | S608 T609 W614 K615 E616 | S608-K612 WeakPolarHBondContact O-CB 3.28Å; S608-K612 VanDerWaalsContact O-CD 3.25Å; S608-K612 WeakPolarHBondContact O-CD 3.47Å; S608-K612 WeakPolarHBondContact O-CG 3.46Å; S608-K612 PolarHBondContact O-N 2.84Å; S608-K612 WeakPolarHBondContact OG-CE 3.37Å; S608-K612 PolarHBondContact OG-NZ 3.41Å; T609-K612 PolarHBondContact O-N 2.83Å; K612-W614 PolarHBondContact O-N 3.36Å; K612-K615 WeakPolarHBondContact O-CB 3.21Å; K612-K615 PolarHBondContact O-N 2.62Å; K612-E616 WeakPolarHBondContact O-CG 3.25Å; K612-E616 PolarHBondContact O-N 2.8Å |
| 613 | T | 74 | Confident | 65.6 | Low | 78 Ų | 78 | 94.6 Ų | 94.6 | 48% | 0.479 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.2 | -45 | 177.9 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | T609 Q610 K615 E616 Q617 | T609-T613 WeakPolarHBondContact O-CB 3.38Å; T609-T613 PolarHBondContact O-N 2.84Å; T609-T613 PolarHBondContact O-OG1 3.47Å; Q610-T613 PolarHBondContact O-N 3.31Å; T613-K615 PolarHBondContact O-N 3.11Å; T613-E616 PolarHBondContact O-N 3.09Å; T613-Q617 WeakPolarHBondContact O-CB 3.35Å; T613-Q617 VanDerWaalsContact O-CG 3.25Å; T613-Q617 WeakPolarHBondContact O-CG 3.49Å; T613-Q617 PolarHBondContact O-N 3.02Å |
| 614 | W | 79.4 | Confident | 67.7 | Low | 100 Ų | 100 | 95.6 Ų | 95.6 | 38% | 0.379 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 176.5 | -178 | 90.9 | 0 | 0 | 0 | 112.1 | Q610 W611 K612 Q617 F618 F639 | Q610-W614 VanDerWaalsContact O-CB 3.32Å; Q610-W614 WeakPolarHBondContact O-CB 3.44Å; Q610-W614 PolarHBondContact O-N 2.64Å; W611-W614 HydrophobicContact CE3-CE3 4.37Å; W611-W614 HydrophobicContact CH2-CZ3 4.42Å; W611-W614 HydrophobicContact CZ3-CE3 4.14Å; W611-W614 HydrophobicContact CZ3-CZ3 4.39Å; K612-W614 PolarHBondContact O-N 3.36Å; W614-Q617 PolarHBondContact O-N 2.88Å; W614-F618 HydrophobicContact CH2-CB 4.01Å; W614-F618 HydrophobicContact CH2-CD1 4.3Å; W614-F618 HydrophobicContact CH2-CD2 4.15Å; W614-F618 AromaticContact CH2-CG 3.89Å; W614-F618 HydrophobicContact CH2-CG 3.89Å; W614-F618 HydrophobicContact CZ2-CB 4.29Å; W614-F618 HydrophobicContact CZ2-CD2 4.26Å; W614-F618 HydrophobicContact CZ2-CG 4.33Å; W614-F618 HydrophobicContact CZ3-CB 4.16Å; W614-F618 HydrophobicContact CZ3-CG 4.37Å; W614-F618 WeakPolarHBondContact O-CB 3.26Å; W614-F618 PolarHBondContact O-N 3.08Å; W614-F639 AromaticContact CH2-CD2 3.8Å; W614-F639 HydrophobicContact CH2-CD2 3.8Å; W614-F639 AromaticContact CH2-CE2 3.55Å; W614-F639 HydrophobicContact CH2-CE2 3.55Å; W614-F639 HydrophobicContact CZ2-CD2 4.24Å; W614-F639 HydrophobicContact CZ2-CE2 4.02Å; W614-F639 HydrophobicContact CZ3-CE2 4.48Å |
| 615 | K | 71.4 | Confident | 69.2 | Low | 132 Ų | 132 | 92.3 Ų | 92.3 | 57% | 0.574 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.9 | -38.9 | 177.1 | -175.9 | -178.8 | 178 | -174.4 | 0 | 112.2 | W611 K612 T613 F618 A619 | W611-K615 VanDerWaalsContact O-CB 3.23Å; W611-K615 WeakPolarHBondContact O-CB 3.44Å; W611-K615 PolarHBondContact O-N 2.91Å; K612-K615 WeakPolarHBondContact O-CB 3.21Å; K612-K615 PolarHBondContact O-N 2.62Å; T613-K615 PolarHBondContact O-N 3.11Å; K615-F618 PolarHBondContact O-N 2.98Å; K615-A619 WeakPolarHBondContact O-CB 3.16Å; K615-A619 PolarHBondContact O-N 3.01Å |
| 616 | E | 76.1 | Confident | 70.7 | Confident | 126 Ų | 126 | 91 Ų | 91 | 59% | 0.589 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -69.4 | -38.6 | 175 | -73.8 | 170.7 | -172.2 | 0 | 0 | 112.1 | K612 T613 S620 | K612-E616 WeakPolarHBondContact O-CG 3.25Å; K612-E616 PolarHBondContact O-N 2.8Å; T613-E616 PolarHBondContact O-N 3.09Å; E616-S620 VanDerWaalsContact O-CB 3.27Å; E616-S620 WeakPolarHBondContact O-CB 3.44Å; E616-S620 PolarHBondContact O-N 3.35Å; E616-S620 PolarHBondContact O-OG 2.78Å |
| 617 | Q | 78.4 | Confident | 71.7 | Confident | 132 Ų | 132 | 87.7 Ų | 87.7 | 62% | 0.617 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.5 | -42.7 | 171.2 | -71.2 | -68.7 | -31.7 | 0 | 0 | 111.7 | T613 W614 S620 Y621 | T613-Q617 WeakPolarHBondContact O-CB 3.35Å; T613-Q617 VanDerWaalsContact O-CG 3.25Å; T613-Q617 WeakPolarHBondContact O-CG 3.49Å; T613-Q617 PolarHBondContact O-N 3.02Å; W614-Q617 PolarHBondContact O-N 2.88Å; Q617-S620 PolarHBondContact O-N 3.39Å; Q617-Y621 WeakPolarHBondContact O-CB 3.3Å; Q617-Y621 PolarHBondContact O-N 3.39Å |
| 618 | F | 80.3 | Confident | 72.9 | Confident | 48 Ų | 48 | 85 Ų | 85 | 21% | 0.211 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 177.3 | -173.8 | -108 | 0 | 0 | 0 | 112.4 | W614 K615 Y621 L622 F639 | W614-F618 HydrophobicContact CH2-CB 4.01Å; W614-F618 HydrophobicContact CH2-CD1 4.3Å; W614-F618 HydrophobicContact CH2-CD2 4.15Å; W614-F618 AromaticContact CH2-CG 3.89Å; W614-F618 HydrophobicContact CH2-CG 3.89Å; W614-F618 HydrophobicContact CZ2-CB 4.29Å; W614-F618 HydrophobicContact CZ2-CD2 4.26Å; W614-F618 HydrophobicContact CZ2-CG 4.33Å; W614-F618 HydrophobicContact CZ3-CB 4.16Å; W614-F618 HydrophobicContact CZ3-CG 4.37Å; W614-F618 WeakPolarHBondContact O-CB 3.26Å; W614-F618 PolarHBondContact O-N 3.08Å; K615-F618 PolarHBondContact O-N 2.98Å; F618-Y621 PolarHBondContact O-N 2.85Å; F618-L622 HydrophobicContact CD1-CD1 3.94Å; F618-L622 HydrophobicContact CD1-CG 4.49Å; F618-L622 HydrophobicContact CE1-CD1 3.54Å; F618-L622 HydrophobicContact CE1-CG 4.16Å; F618-L622 HydrophobicContact CZ-CD1 4.06Å; F618-L622 HydrophobicContact CZ-CD2 4.41Å; F618-L622 HydrophobicContact CZ-CG 4.26Å; F618-L622 WeakPolarHBondContact O-CG 3.49Å; F618-L622 PolarHBondContact O-N 2.85Å; F618-F639 HydrophobicContact CE2-CB 4.37Å; F618-F639 HydrophobicContact CZ-CB 3.99Å; F618-F639 HydrophobicContact CZ-CD2 4.47Å |
| 619 | A | 73.8 | Confident | 74 | Confident | 41 Ų | 41 | 92 Ų | 92 | 34% | 0.339 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K615 Y621 L622 I623 | K615-A619 WeakPolarHBondContact O-CB 3.16Å; K615-A619 PolarHBondContact O-N 3.01Å; A619-Y621 VanDerWaalsContact C-N 3.31Å; A619-Y621 PolarHBondContact O-N 3.02Å; A619-L622 PolarHBondContact O-N 3.36Å; A619-I623 WeakPolarHBondContact O-CG1 3.35Å; A619-I623 PolarHBondContact O-N 2.96Å |
| 620 | S | 80.1 | Confident | 74.8 | Confident | 67 Ų | 67 | 90 Ų | 90 | 47% | 0.469 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 176 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | E616 Q617 I623 A624 | E616-S620 VanDerWaalsContact O-CB 3.27Å; E616-S620 WeakPolarHBondContact O-CB 3.44Å; E616-S620 PolarHBondContact O-N 3.35Å; E616-S620 PolarHBondContact O-OG 2.78Å; Q617-S620 PolarHBondContact O-N 3.39Å; S620-I623 PolarHBondContact O-N 3.02Å; S620-A624 VanDerWaalsContact O-CB 3.25Å; S620-A624 WeakPolarHBondContact O-CB 3.38Å; S620-A624 PolarHBondContact O-N 2.75Å |
| 621 | Y | 79 | Confident | 75.4 | Confident | 93 Ų | 93 | 87.1 Ų | 87.1 | 37% | 0.365 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 173.9 | 174.9 | -99.5 | 0 | 0 | 0 | 112.4 | Q617 F618 A619 I623 A624 T625 I638 | Q617-Y621 WeakPolarHBondContact O-CB 3.3Å; Q617-Y621 PolarHBondContact O-N 3.39Å; F618-Y621 PolarHBondContact O-N 2.85Å; A619-Y621 VanDerWaalsContact C-N 3.31Å; A619-Y621 PolarHBondContact O-N 3.02Å; Y621-I623 VanDerWaalsContact C-N 3.34Å; Y621-I623 PolarHBondContact O-N 2.98Å; Y621-A624 PolarHBondContact O-N 3.42Å; Y621-T625 HydrophobicContact CD2-CG2 4.12Å; Y621-T625 HydrophobicContact CE1-CG2 4.34Å; Y621-T625 HydrophobicContact CE2-CG2 3.76Å; Y621-T625 WeakPolarHBondContact O-CB 3.42Å; Y621-T625 WeakPolarHBondContact O-CG2 3.27Å; Y621-T625 PolarHBondContact O-N 2.91Å; Y621-T625 PolarHBondContact O-OG1 3.3Å; Y621-I638 HydrophobicContact CE1-CG2 4.15Å |
| 622 | L | 79.5 | Confident | 75.7 | Confident | 8 Ų | 8 | 87.4 Ų | 87.4 | 4% | 0.042 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 175.3 | -75.1 | 174.6 | 0 | 0 | 0 | 112.3 | F618 A619 T625 G626 L627 D628 Q635 | F618-L622 HydrophobicContact CD1-CD1 3.94Å; F618-L622 HydrophobicContact CD1-CG 4.49Å; F618-L622 HydrophobicContact CE1-CD1 3.54Å; F618-L622 HydrophobicContact CE1-CG 4.16Å; F618-L622 HydrophobicContact CZ-CD1 4.06Å; F618-L622 HydrophobicContact CZ-CD2 4.41Å; F618-L622 HydrophobicContact CZ-CG 4.26Å; F618-L622 WeakPolarHBondContact O-CG 3.49Å; F618-L622 PolarHBondContact O-N 2.85Å; A619-L622 PolarHBondContact O-N 3.36Å; L622-T625 PolarHBondContact O-OG1 2.97Å; L622-G626 CarbonylContact O-C 3.55Å; L622-G626 PolarHBondContact O-N 3.41Å; L622-L627 HydrophobicContact CD2-CB 3.82Å; L622-L627 CarbonylContact O-C 3.47Å; L622-L627 PolarHBondContact O-N 3.24Å; L622-D628 HydrophobicContact CB-CB 4.37Å; L622-D628 PolarHBondContact O-N 3.46Å; L622-Q635 HydrophobicContact CD1-CG 4.25Å; L622-Q635 HydrophobicContact CD2-CB 4.3Å; L622-Q635 HydrophobicContact CD2-CG 3.88Å |
| 623 | I | 80.3 | Confident | 75.8 | Confident | 110 Ų | 110 | 88.7 Ų | 88.7 | 56% | 0.564 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -67.1 | -50.2 | 175.9 | -67.3 | 164.1 | 0 | 0 | 0 | 110.3 | A619 S620 Y621 T625 G626 D628 | A619-I623 WeakPolarHBondContact O-CG1 3.35Å; A619-I623 PolarHBondContact O-N 2.96Å; S620-I623 PolarHBondContact O-N 3.02Å; Y621-I623 VanDerWaalsContact C-N 3.34Å; Y621-I623 PolarHBondContact O-N 2.98Å; I623-T625 VanDerWaalsContact C-N 3.28Å; I623-T625 PolarHBondContact O-N 3.16Å; I623-G626 PolarHBondContact O-N 3.36Å; I623-D628 HydrophobicContact CG1-CB 3.96Å |
| 624 | A | 77.9 | Confident | 75.7 | Confident | 88 Ų | 88 | 91 Ų | 91 | 73% | 0.727 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.5 | -29.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S620 Y621 | S620-A624 VanDerWaalsContact O-CB 3.25Å; S620-A624 WeakPolarHBondContact O-CB 3.38Å; S620-A624 PolarHBondContact O-N 2.75Å; Y621-A624 PolarHBondContact O-N 3.42Å |
| 625 | T | 74.4 | Confident | 75.6 | Confident | 62 Ų | 62 | 88.1 Ų | 88.1 | 38% | 0.38 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 1.5 | 175.2 | 55 | 0 | 0 | 0 | 0 | 113.8 | Y621 L622 I623 L627 | Y621-T625 HydrophobicContact CD2-CG2 4.12Å; Y621-T625 HydrophobicContact CE1-CG2 4.34Å; Y621-T625 HydrophobicContact CE2-CG2 3.76Å; Y621-T625 WeakPolarHBondContact O-CB 3.42Å; Y621-T625 WeakPolarHBondContact O-CG2 3.27Å; Y621-T625 PolarHBondContact O-N 2.91Å; Y621-T625 PolarHBondContact O-OG1 3.3Å; L622-T625 PolarHBondContact O-OG1 2.97Å; I623-T625 VanDerWaalsContact C-N 3.28Å; I623-T625 PolarHBondContact O-N 3.16Å; T625-L627 PolarHBondContact O-N 3.06Å |
| 626 | G | 76.9 | Confident | 75.4 | Confident | 58 Ų | 58 | 86.4 Ų | 86.4 | 60% | 0.598 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 6.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L622 I623 | L622-G626 CarbonylContact O-C 3.55Å; L622-G626 PolarHBondContact O-N 3.41Å; I623-G626 PolarHBondContact O-N 3.36Å |
| 627 | L | 70.4 | Confident | 75.2 | Confident | 45 Ų | 45 | 82.9 Ų | 82.9 | 24% | 0.236 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -87 | -5.7 | -176.6 | -72.1 | 167.2 | 0 | 0 | 0 | 113.8 | L622 T625 K629 A630 Q635 I638 | L622-L627 HydrophobicContact CD2-CB 3.82Å; L622-L627 CarbonylContact O-C 3.47Å; L622-L627 PolarHBondContact O-N 3.24Å; T625-L627 PolarHBondContact O-N 3.06Å; L627-K629 PolarHBondContact O-N 2.96Å; L627-A630 HydrophobicContact CB-CB 4.4Å; L627-A630 HydrophobicContact CD2-CB 3.91Å; L627-A630 WeakPolarHBondContact O-CB 3.41Å; L627-A630 PolarHBondContact O-N 2.93Å; L627-Q635 PolarHBondContact O-NE2 3.46Å; L627-I638 HydrophobicContact CD1-CD1 3.37Å; L627-I638 HydrophobicContact CD2-CD1 4.29Å; L627-I638 HydrophobicContact CG-CD1 4.45Å |
| 628 | D | 75.3 | Confident | 74.9 | Confident | 86 Ų | 86 | 79 Ų | 79 | 46% | 0.46 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -51.9 | -36.8 | 169.7 | 177.7 | 64.4 | 0 | 0 | 0 | 112.5 | L622 I623 Q635 | L622-D628 HydrophobicContact CB-CB 4.37Å; L622-D628 PolarHBondContact O-N 3.46Å; I623-D628 HydrophobicContact CG1-CB 3.96Å; D628-Q635 PolarHBondContact O-NE2 2.9Å |
| 629 | K | 78.5 | Confident | 74.5 | Confident | 194 Ų | 194 | 79.6 Ų | 79.6 | 84% | 0.843 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -90.7 | 5.9 | 176.4 | -61.9 | -176.7 | -178.9 | 177.8 | 0 | 114.3 | L627 | L627-K629 PolarHBondContact O-N 2.96Š|
| 630 | A | 75.7 | Confident | 74.2 | Confident | 19 Ų | 19 | 82.4 Ų | 82.4 | 16% | 0.157 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -75.1 | 152.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L627 K634 Q635 | L627-A630 HydrophobicContact CB-CB 4.4Å; L627-A630 HydrophobicContact CD2-CB 3.91Å; L627-A630 WeakPolarHBondContact O-CB 3.41Å; L627-A630 PolarHBondContact O-N 2.93Å; A630-K634 HydrophobicContact CB-CB 4.07Å; A630-K634 HydrophobicContact CB-CD 4.45Å; A630-Q635 HydrophobicContact CB-CG 4.47Å |
| 631 | P | 75.4 | Confident | 73.5 | Confident | 72 Ų | 72 | 85.8 Ų | 85.8 | 47% | 0.468 | 46% | 0.455 | S | S | . | . | | | trans | -52 | 144.4 | 169.5 | -25.5 | 34.5 | 0 | 0 | 0 | 111.3 | E633 K634 Q635 | P631-E633 WeakPolarHBondContact CB-OE2 3.4Å; P631-E633 PolarHBondContact O-N 3.17Å; P631-K634 WeakPolarHBondContact O-CB 3.4Å; P631-K634 PolarHBondContact O-N 2.62Å; P631-Q635 PolarHBondContact O-N 3.41Å |
| 632 | K | 64.6 | Low | 72.6 | Confident | 169 Ų | 169 | 90 Ų | 90 | 74% | 0.735 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -58 | -29.2 | -173.2 | -69.7 | -175.7 | 177.5 | -178.9 | 0 | 112.2 | K634 Q635 L636 | K632-K634 VanDerWaalsContact C-N 3.29Å; K632-K634 PolarHBondContact O-N 2.84Å; K632-Q635 PolarHBondContact O-N 3.04Å; K632-L636 WeakPolarHBondContact O-CB 3.31Å; K632-L636 PolarHBondContact O-N 3.45Å |
| 633 | E | 69.4 | Low | 71.2 | Confident | 135 Ų | 135 | 96.2 Ų | 96.2 | 63% | 0.631 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63 | -33.3 | 175.2 | -52.6 | 72.2 | -157.4 | 0 | 0 | 111.8 | P631 A637 | P631-E633 WeakPolarHBondContact CB-OE2 3.4Å; P631-E633 PolarHBondContact O-N 3.17Å; E633-A637 WeakPolarHBondContact O-CB 3.38Å; E633-A637 PolarHBondContact O-N 3.36Å |
| 634 | K | 72.1 | Confident | 69.4 | Low | 126 Ų | 126 | 93.7 Ų | 93.7 | 55% | 0.548 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -78.5 | -39 | 175.9 | -64.9 | -166.4 | -176.7 | -179.9 | 0 | 112.4 | A630 P631 K632 L636 A637 I638 | A630-K634 HydrophobicContact CB-CB 4.07Å; A630-K634 HydrophobicContact CB-CD 4.45Å; P631-K634 WeakPolarHBondContact O-CB 3.4Å; P631-K634 PolarHBondContact O-N 2.62Å; K632-K634 VanDerWaalsContact C-N 3.29Å; K632-K634 PolarHBondContact O-N 2.84Å; K634-L636 VanDerWaalsContact C-N 3.35Å; K634-A637 PolarHBondContact O-N 2.93Å; K634-I638 WeakPolarHBondContact O-CG1 3.39Å; K634-I638 PolarHBondContact O-N 3.33Å |
| 635 | Q | 77.3 | Confident | 67.8 | Low | 40 Ų | 40 | 94.9 Ų | 94.9 | 19% | 0.187 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 172.6 | -62.8 | -172.1 | -13.5 | 0 | 0 | 110.5 | L622 L627 D628 A630 P631 K632 I638 F639 | L622-Q635 HydrophobicContact CD1-CG 4.25Å; L622-Q635 HydrophobicContact CD2-CB 4.3Å; L622-Q635 HydrophobicContact CD2-CG 3.88Å; L627-Q635 PolarHBondContact O-NE2 3.46Å; D628-Q635 PolarHBondContact O-NE2 2.9Å; A630-Q635 HydrophobicContact CB-CG 4.47Å; P631-Q635 PolarHBondContact O-N 3.41Å; K632-Q635 PolarHBondContact O-N 3.04Å; Q635-I638 PolarHBondContact O-N 3.09Å; Q635-F639 WeakPolarHBondContact O-CB 3.36Å; Q635-F639 PolarHBondContact O-N 3.05Å |
| 636 | L | 67.6 | Low | 65.9 | Low | 95 Ų | 95 | 98.3 Ų | 98.3 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 174.8 | -174.4 | 66 | 0 | 0 | 0 | 111.9 | K632 K634 I638 F639 L640 | K632-L636 WeakPolarHBondContact O-CB 3.31Å; K632-L636 PolarHBondContact O-N 3.45Å; K634-L636 VanDerWaalsContact C-N 3.35Å; L636-I638 VanDerWaalsContact C-N 3.29Å; L636-I638 PolarHBondContact O-N 3.14Å; L636-F639 HydrophobicContact CD1-CD1 4.09Å; L636-F639 PolarHBondContact O-N 2.96Å; L636-L640 HydrophobicContact CD1-CD1 4.4Å; L636-L640 HydrophobicContact CD1-CG 4.43Å; L636-L640 HydrophobicContact CG-CD1 4Å; L636-L640 HydrophobicContact CG-CG 4.43Å; L636-L640 WeakPolarHBondContact O-CB 3.35Å; L636-L640 VanDerWaalsContact O-CG 3.25Å; L636-L640 WeakPolarHBondContact O-CG 3.05Å; L636-L640 PolarHBondContact O-N 3.34Å |
| 637 | A | 71.5 | Confident | 63.7 | Low | 52 Ų | 52 | 106.4 Ų | 106.4 | 43% | 0.43 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.5 | -38.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | E633 K634 Q641 | E633-A637 WeakPolarHBondContact O-CB 3.38Å; E633-A637 PolarHBondContact O-N 3.36Å; K634-A637 PolarHBondContact O-N 2.93Å; A637-Q641 WeakPolarHBondContact O-CB 3.43Å; A637-Q641 PolarHBondContact O-N 2.87Å |
| 638 | I | 71.9 | Confident | 62 | Low | 50 Ų | 50 | 110.1 Ų | 110.1 | 26% | 0.256 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -76.7 | -35 | 179.1 | -70.7 | 170.2 | 0 | 0 | 0 | 111.9 | Y621 L627 K634 Q635 L636 Q641 R642 | Y621-I638 HydrophobicContact CE1-CG2 4.15Å; L627-I638 HydrophobicContact CD1-CD1 3.37Å; L627-I638 HydrophobicContact CD2-CD1 4.29Å; L627-I638 HydrophobicContact CG-CD1 4.45Å; K634-I638 WeakPolarHBondContact O-CG1 3.39Å; K634-I638 PolarHBondContact O-N 3.33Å; Q635-I638 PolarHBondContact O-N 3.09Å; L636-I638 VanDerWaalsContact C-N 3.29Å; L636-I638 PolarHBondContact O-N 3.14Å; I638-Q641 PolarHBondContact O-N 3.44Å; I638-R642 WeakPolarHBondContact O-CB 3.44Å; I638-R642 PolarHBondContact O-N 3.02Å |
| 639 | F | 72.1 | Confident | 59.8 | Low | 61 Ų | 61 | 116.3 Ų | 116.3 | 27% | 0.268 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -57.9 | -50.4 | 167.4 | 171.9 | -101.9 | 0 | 0 | 0 | 111.3 | W614 F618 Q635 L636 Q641 R642 F643 | W614-F639 AromaticContact CH2-CD2 3.8Å; W614-F639 HydrophobicContact CH2-CD2 3.8Å; W614-F639 AromaticContact CH2-CE2 3.55Å; W614-F639 HydrophobicContact CH2-CE2 3.55Å; W614-F639 HydrophobicContact CZ2-CD2 4.24Å; W614-F639 HydrophobicContact CZ2-CE2 4.02Å; W614-F639 HydrophobicContact CZ3-CE2 4.48Å; F618-F639 HydrophobicContact CE2-CB 4.37Å; F618-F639 HydrophobicContact CZ-CB 3.99Å; F618-F639 HydrophobicContact CZ-CD2 4.47Å; Q635-F639 WeakPolarHBondContact O-CB 3.36Å; Q635-F639 PolarHBondContact O-N 3.05Å; L636-F639 HydrophobicContact CD1-CD1 4.09Å; L636-F639 PolarHBondContact O-N 2.96Å; F639-Q641 VanDerWaalsContact C-N 3.35Å; F639-Q641 PolarHBondContact O-N 2.87Å; F639-R642 PolarHBondContact O-N 3.41Å; F639-F643 HydrophobicContact CD2-CD2 4.18Å; F639-F643 HydrophobicContact CD2-CE2 4.26Å; F639-F643 HydrophobicContact CE1-CD2 4.43Å; F639-F643 AromaticContact CE2-CD2 3.77Å; F639-F643 HydrophobicContact CE2-CD2 3.77Å; F639-F643 AromaticContact CE2-CE2 3.5Å; F639-F643 HydrophobicContact CE2-CE2 3.5Å; F639-F643 AromaticContact CZ-CD2 3.91Å; F639-F643 HydrophobicContact CZ-CD2 3.91Å; F639-F643 AromaticContact CZ-CE2 3.76Å; F639-F643 HydrophobicContact CZ-CE2 3.76Å; F639-F643 PolarHBondContact O-N 3.47Å |
| 640 | L | 67.4 | Low | 57.4 | Low | 100 Ų | 100 | 115 Ų | 115 | 52% | 0.524 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.3 | -30.7 | 176.3 | -68.1 | 171.8 | 0 | 0 | 0 | 112.9 | L636 G644 | L636-L640 HydrophobicContact CD1-CD1 4.4Å; L636-L640 HydrophobicContact CD1-CG 4.43Å; L636-L640 HydrophobicContact CG-CD1 4Å; L636-L640 HydrophobicContact CG-CG 4.43Å; L636-L640 WeakPolarHBondContact O-CB 3.35Å; L636-L640 VanDerWaalsContact O-CG 3.25Å; L636-L640 WeakPolarHBondContact O-CG 3.05Å; L636-L640 PolarHBondContact O-N 3.34Å; L640-G644 VanDerWaalsContact O-CA 3.31Å; L640-G644 WeakPolarHBondContact O-CA 3.29Å; L640-G644 PolarHBondContact O-N 2.94Å |
| 641 | Q | 67.1 | Low | 55.4 | Low | 139 Ų | 139 | 121.2 Ų | 121.2 | 65% | 0.65 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.8 | -36.4 | 173.3 | -170.2 | 75.2 | 57.8 | 0 | 0 | 111.2 | A637 I638 F639 | A637-Q641 WeakPolarHBondContact O-CB 3.43Å; A637-Q641 PolarHBondContact O-N 2.87Å; I638-Q641 PolarHBondContact O-N 3.44Å; F639-Q641 VanDerWaalsContact C-N 3.35Å; F639-Q641 PolarHBondContact O-N 2.87Å |
| 642 | R | 58.3 | Low | 53.7 | Low | 182 Ų | 182 | 123.2 Ų | 123.2 | 69% | 0.687 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -76.1 | -35.9 | 178.5 | -158.8 | 75.9 | 179 | -131.8 | 1.8 | 112.4 | I638 F639 | I638-R642 WeakPolarHBondContact O-CB 3.44Å; I638-R642 PolarHBondContact O-N 3.02Å; F639-R642 PolarHBondContact O-N 3.41Å |
| 643 | F | 51.5 | Low | 52 | Low | 137 Ų | 137 | 119.4 Ų | 119.4 | 60% | 0.601 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -75.8 | -25.1 | 170.1 | -95.6 | -91 | 0 | 0 | 0 | 113.1 | F639 T645 | F639-F643 HydrophobicContact CD2-CD2 4.18Å; F639-F643 HydrophobicContact CD2-CE2 4.26Å; F639-F643 HydrophobicContact CE1-CD2 4.43Å; F639-F643 AromaticContact CE2-CD2 3.77Å; F639-F643 HydrophobicContact CE2-CD2 3.77Å; F639-F643 AromaticContact CE2-CE2 3.5Å; F639-F643 HydrophobicContact CE2-CE2 3.5Å; F639-F643 AromaticContact CZ-CD2 3.91Å; F639-F643 HydrophobicContact CZ-CD2 3.91Å; F639-F643 AromaticContact CZ-CE2 3.76Å; F639-F643 HydrophobicContact CZ-CE2 3.76Å; F639-F643 PolarHBondContact O-N 3.47Å; F643-T645 VanDerWaalsContact C-N 3.31Å; F643-T645 PolarHBondContact O-N 2.69Å |
| 644 | G | 42.3 | Very low | 50.4 | Low | 57 Ų | 57 | 119.6 Ų | 119.6 | 59% | 0.588 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 3.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | L640 | L640-G644 VanDerWaalsContact O-CA 3.31Å; L640-G644 WeakPolarHBondContact O-CA 3.29Å; L640-G644 PolarHBondContact O-N 2.94Å |
| 645 | T | 44.3 | Very low | 48.5 | Very low | 114 Ų | 114 | 120.2 Ų | 120.2 | 70% | 0.699 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | 2.3 | -178.6 | 51.1 | 0 | 0 | 0 | 0 | 114.9 | F643 | F643-T645 VanDerWaalsContact C-N 3.31Å; F643-T645 PolarHBondContact O-N 2.69Å |
| 646 | D | 33.9 | Very low | 46.5 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 72% | 0.717 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -132.4 | 116.5 | 168.9 | -131.7 | -42.5 | 0 | 0 | 0 | 111.6 | | |
| 647 | R | 30.6 | Very low | 44.3 | Very low | 228 Ų | 228 | 125.8 Ų | 125.8 | 86% | 0.86 | 66% | 0.664 | S | S | * | * | | | trans | 59.7 | 134.9 | 179.1 | -59.9 | -176.5 | 176.8 | -121.7 | -2.6 | 119.1 | | |
| 648 | P | 35.1 | Very low | 42.3 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 79% | 0.792 | 68% | 0.678 | S | S | * | * | | | trans | -96.7 | 169.5 | 163.9 | 38.8 | -33.5 | 0 | 0 | 0 | 112.1 | | |
| 649 | R | 29.5 | Very low | 40.1 | Very low | 216 Ų | 216 | 132.5 Ų | 132.5 | 82% | 0.815 | 71% | 0.707 | S | S | * | * | | | cis | -169.7 | 104.1 | -33.6 | 177.7 | -177.8 | -66 | -162.2 | -1.5 | 107.9 | | |
| 650 | I | 26.9 | Very low | 38.2 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 86% | 0.862 | 73% | 0.731 | S | S | * | * | | | trans | -89.4 | 144.9 | 155.9 | -62.1 | 172.4 | 0 | 0 | 0 | 107.2 | | |
| 651 | L | 34.1 | Very low | 36.3 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | | | trans | -155.3 | 141.1 | 161.6 | -140.5 | 125.3 | 0 | 0 | 0 | 111 | | |
| 652 | P | 40.5 | Very low | 34.7 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | | | trans | -101.4 | -157.3 | -163.6 | 41.7 | -38.8 | 0 | 0 | 0 | 114.3 | | |
| 653 | T | 29.4 | Very low | 33.3 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 54% | 0.54 | 76% | 0.76 | S | S | . | * | | | trans | -109 | 139.5 | -155.7 | 27.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 654 | H | 35 | Very low | 32.3 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 65% | 0.648 | 77% | 0.774 | S | S | * | * | | | trans | 62.8 | 158.4 | 156 | -52.6 | -49.4 | 0 | 0 | 0 | 117.7 | | |
| 655 | T | 32.9 | Very low | 31.7 | Very low | 138 Ų | 138 | 145.1 Ų | 145.1 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | | | cis | -136.3 | 173.3 | 20.8 | -58.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 656 | V | 33.8 | Very low | 31.3 | Very low | 126 Ų | 126 | 144 Ų | 144 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | trans | -83.4 | 153.7 | -156.9 | -68.1 | 0 | 0 | 0 | 0 | 119 | | |
| 657 | S | 22.9 | Very low | 31.6 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | | | | -156.8 | 156.1 | 127.7 | -168.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 658 | T | 28.6 | Very low | 32.1 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | | | trans | -127.6 | 122.7 | -160.6 | -40.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 659 | C | 26.4 | Very low | 32.4 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 86% | 0.858 | 79% | 0.785 | S | S | * | * | | | trans | -145.9 | 143.3 | 155.7 | 63.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 660 | I | 31 | Very low | 33 | Very low | 153 Ų | 153 | 132 Ų | 132 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -113.4 | 133.1 | -168.9 | -59.3 | 173.6 | 0 | 0 | 0 | 110.6 | | |
| 661 | T | 29 | Very low | 33.3 | Very low | 134 Ų | 134 | 130.3 Ų | 130.3 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | -142.4 | 139.6 | 160.1 | -75 | 0 | 0 | 0 | 0 | 109.1 | | |
| 662 | S | 32.3 | Very low | 33.8 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -89.2 | 118.2 | -167.1 | -177.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 663 | C | 30 | Very low | 33.4 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -133.8 | 126.8 | 168.2 | 53.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 664 | K | 30.5 | Very low | 33.6 | Very low | 206 Ų | 206 | 136 Ų | 136 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 137.5 | -167.7 | -60.7 | 156.9 | -176.6 | 170.7 | 0 | 113.3 | A666 | K664-A666 PolarHBondContact O-N 3.21Š|
| 665 | K | 29.9 | Very low | 33.5 | Very low | 210 Ų | 210 | 135.6 Ų | 135.6 | 91% | 0.913 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 122.7 | 169.8 | -179.2 | 169.1 | -178.1 | 171.6 | 0 | 110.7 | | |
| 666 | A | 34.4 | Very low | 33.5 | Very low | 89 Ų | 89 | 135.8 Ų | 135.8 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 155.9 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | K664 | K664-A666 PolarHBondContact O-N 3.21Š|
| 667 | A | 40.6 | Very low | 33.4 | Very low | 91 Ų | 91 | 135 Ų | 135 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 153.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 668 | P | 40.4 | Very low | 33.9 | Very low | 113 Ų | 113 | 138 Ų | 138 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 155.1 | 169.6 | 29.9 | -35.7 | 0 | 0 | 0 | 111.5 | | |
| 669 | P | 41.3 | Very low | 34.1 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -66 | 141.6 | 177.9 | 27.9 | -34.7 | 0 | 0 | 0 | 111.6 | | |
| 670 | P | 42 | Very low | 34.4 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 131.8 | -177.4 | 30.1 | -34.3 | 0 | 0 | 0 | 112.4 | | |
| 671 | V | 34.8 | Very low | 34.2 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 133.3 | 168.8 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 672 | P | 43.4 | Very low | 34.2 | Very low | 107 Ų | 107 | 142 Ų | 142 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 143.1 | -176.9 | 27.1 | -35.1 | 0 | 0 | 0 | 112.7 | R674 | P672-R674 PolarHBondContact O-N 3.28Š|
| 673 | P | 32.8 | Very low | 33.9 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | | | trans | -73.9 | 115.5 | -178.9 | 29.3 | -34 | 0 | 0 | 0 | 111.7 | T675 | P673-T675 PolarHBondContact O-N 2.81Š|
| 674 | R | 33.4 | Very low | 33.9 | Very low | 241 Ų | 241 | 143.1 Ų | 143.1 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | | | trans | -76 | 106.6 | 165.6 | -82.5 | -175.5 | 163.4 | 113.8 | -4.7 | 110.1 | P672 | P672-R674 PolarHBondContact O-N 3.28Š|
| 675 | T | 32.3 | Very low | 33.8 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -75 | 147.3 | 159.8 | 45.3 | 0 | 0 | 0 | 0 | 110.1 | P673 | P673-T675 PolarHBondContact O-N 2.81Š|
| 676 | T | 34.3 | Very low | 33.7 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 87% | 0.871 | 80% | 0.801 | S | S | * | * | | | trans | -108.2 | 103.6 | -174.1 | 56.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 677 | S | 30.1 | Very low | 33.4 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | trans | -134.1 | 112.1 | 164.4 | 44.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 678 | K | 34.8 | Very low | 33 | Very low | 189 Ų | 189 | 140.3 Ų | 140.3 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 126.6 | 171.4 | -64.8 | -179.3 | 179.6 | -177.9 | 0 | 108.2 | | |
| 679 | P | 32.8 | Very low | 32.9 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 139 | 161.7 | 30 | -32.3 | 0 | 0 | 0 | 109 | | |
| 680 | Y | 31.6 | Very low | 32.5 | Very low | 221 Ų | 221 | 143.6 Ų | 143.6 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 133.1 | 163.6 | -94.8 | -93.7 | 0 | 0 | 0 | 108.2 | | |
| 681 | I | 28.2 | Very low | 32.1 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | | | trans | -114.8 | 135.4 | 158.6 | -68.5 | 178.8 | 0 | 0 | 0 | 106.5 | | |
| 682 | S | 28.3 | Very low | 32 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | trans | -90 | 152.4 | -175.3 | 43.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 683 | V | 26.1 | Very low | 31.3 | Very low | 144 Ų | 144 | 143 Ų | 143 | 87% | 0.873 | 80% | 0.801 | S | S | * | * | | | trans | -118.6 | 138.9 | 156.5 | 178.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 684 | T | 29.1 | Very low | 31.1 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | | | trans | -63.2 | 144.6 | -167 | 48.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 685 | V | 29.3 | Very low | 30.9 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 87% | 0.873 | 78% | 0.783 | S | S | * | * | | | | -127.9 | 138.9 | 129.1 | -165.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 686 | Q | 28.3 | Very low | 30.5 | Very low | 174 Ų | 174 | 142 Ų | 142 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | trans | -72.6 | 164.8 | 176 | -68.7 | 159.3 | -65.1 | 0 | 0 | 109.8 | | |
| 687 | S | 27.1 | Very low | 30.4 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | cis | -164.1 | 159.7 | 43 | 50.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 688 | S | 32.4 | Very low | 30.4 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | 53.6 | 145.4 | 150.6 | -49.9 | 0 | 0 | 0 | 0 | 119.7 | | |
| 689 | T | 38.3 | Very low | 30 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | cis | -138.4 | 136.3 | 15.1 | 45.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 690 | E | 34.1 | Very low | 29.8 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | | | | 77.5 | 143.9 | 80.5 | -159.6 | 179.4 | 82.3 | 0 | 0 | 115.6 | | |
| 691 | S | 33 | Very low | 29.6 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | 68 | 118.5 | -178.8 | -69.7 | 0 | 0 | 0 | 0 | 116.3 | | |
| 692 | A | 32.4 | Very low | 29.7 | Very low | 84 Ų | 84 | 142 Ų | 142 | 69% | 0.694 | 77% | 0.766 | S | S | * | * | | | | 84.4 | 140.2 | 53.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 693 | Q | 28.3 | Very low | 29.8 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | | | cis | -155.3 | 164.3 | -7.7 | -124.4 | -177.4 | -63 | 0 | 0 | 111.5 | | |
| 694 | D | 28.2 | Very low | 30.2 | Very low | 114 Ų | 114 | 144 Ų | 144 | 61% | 0.61 | 76% | 0.756 | S | S | * | * | | | trans | 36.2 | 129.3 | 154.5 | -79 | -72.9 | 0 | 0 | 0 | 124.5 | | |
| 695 | N | 29.5 | Very low | 30.2 | Very low | 136 Ų | 136 | 146.2 Ų | 146.2 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | 29.5 | 121.1 | 133.8 | -72.6 | -73.1 | 0 | 0 | 0 | 120.6 | | |
| 696 | Y | 25.2 | Very low | 30.3 | Very low | 222 Ų | 222 | 145.5 Ų | 145.5 | 87% | 0.871 | 75% | 0.754 | S | S | * | * | | | trans | -139.8 | 131.7 | 131 | -134.9 | -94.7 | 0 | 0 | 0 | 111 | D698 | Y696-D698 HydrophobicContact CD1-CB 4.36Å; Y696-D698 HydrophobicContact CE1-CB 4.5Å |
| 697 | L | 32.3 | Very low | 30.4 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | | | trans | -114.3 | 124 | 170.6 | 179.6 | 78 | 0 | 0 | 0 | 106.4 | | |
| 698 | D | 29.7 | Very low | 30.5 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | | | trans | -144.7 | 155.5 | 168.3 | -161.2 | -157.7 | 0 | 0 | 0 | 112.3 | Y696 | Y696-D698 HydrophobicContact CD1-CB 4.36Å; Y696-D698 HydrophobicContact CE1-CB 4.5Å |
| 699 | Q | 26.6 | Very low | 30.5 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 63% | 0.626 | 74% | 0.74 | S | S | * | * | | | trans | -117.3 | 167.5 | -164.8 | -165.7 | 85.3 | 57.4 | 0 | 0 | 110.4 | | |
| 700 | Q | 27.8 | Very low | 30.1 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | | | trans | 71.3 | 118.4 | 158.3 | -85.9 | 167.2 | -10.8 | 0 | 0 | 119.6 | | |
| 701 | D | 26.8 | Very low | 30 | Very low | 141 Ų | 141 | 140.2 Ų | 140.2 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | | | | 37.6 | 141.2 | 124 | -66.4 | -73.7 | 0 | 0 | 0 | 122.2 | | |
| 702 | R | 31.3 | Very low | 29.8 | Very low | 207 Ų | 207 | 141.8 Ų | 141.8 | 78% | 0.781 | 73% | 0.728 | S | S | * | * | | | | -167.1 | 134.9 | 108.9 | -78.2 | -132.9 | 168.9 | 168.6 | -3.7 | 113.7 | | |
| 703 | R | 30.7 | Very low | 29.6 | Very low | 197 Ų | 197 | 143.2 Ų | 143.2 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | | | trans | 67.8 | 112.3 | 141.3 | -70.6 | 173.9 | -178.8 | -83.7 | -4 | 118.3 | | |
| 704 | S | 35 | Very low | 29.6 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | | | | 85.8 | 145.7 | 86.9 | 74 | 0 | 0 | 0 | 0 | 113.1 | | |
| 705 | E | 27.8 | Very low | 29.3 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 77% | 0.771 | 73% | 0.727 | S | S | * | * | | | cis | -154.9 | 173.6 | 25.2 | -152.6 | 173.3 | 105.4 | 0 | 0 | 112.7 | | |
| 706 | V | 32.2 | Very low | 29.1 | Very low | 129 Ų | 129 | 142.2 Ų | 142.2 | 78% | 0.782 | 73% | 0.73 | S | S | * | * | | | trans | 53.8 | 141.3 | 170.1 | -64 | 0 | 0 | 0 | 0 | 120.7 | | |
| 707 | N | 28.8 | Very low | 29 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | | | cis | -163.9 | 149.6 | -23.5 | 178.7 | 43.4 | 0 | 0 | 0 | 109.7 | | |
| 708 | S | 30.2 | Very low | 28.6 | Very low | 79 Ų | 79 | 133.6 Ų | 133.6 | 55% | 0.552 | 72% | 0.716 | S | S | * | * | | | trans | 58 | 146.2 | 163.3 | -74 | 0 | 0 | 0 | 0 | 119.4 | | |
| 709 | Q | 31.6 | Very low | 28.4 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | | | cis | -176.1 | 146 | -24.6 | -131.1 | 162.4 | -31.9 | 0 | 0 | 108.2 | | |
| 710 | S | 31.3 | Very low | 28.5 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | | | trans | 49.8 | 145.2 | 144.1 | 60.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 711 | S | 30.8 | Very low | 29 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | | | cis | -179 | 176.5 | -6.8 | 49.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 712 | H | 29 | Very low | 29.2 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | | | trans | 72.1 | 130.6 | 164.2 | -99.3 | -93.4 | 0 | 0 | 0 | 117.5 | H714 | H712-H714 AromaticContact CE1-CE1 3.39Å; H712-H714 PolarHBondContact CE1-CE1 2.78Å; H712-H714 AromaticContact CE1-ND1 3.93Å; H712-H714 AromaticContact CE1-NE2 3.79Å; H712-H714 AromaticContact ND1-CE1 3.62Å; H712-H714 AromaticContact ND1-ND1 3.67Å |
| 713 | V | 29.3 | Very low | 29.2 | Very low | 114 Ų | 114 | 127 Ų | 127 | 69% | 0.691 | 72% | 0.72 | S | S | * | * | | | cis | 84.6 | 136.2 | 21.4 | -173.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 714 | H | 28.5 | Very low | 29.7 | Very low | 152 Ų | 152 | 124.7 Ų | 124.7 | 70% | 0.704 | 73% | 0.728 | S | S | * | * | | | trans | 93.8 | 125.1 | -168.8 | -51.2 | 143.4 | 0 | 0 | 0 | 113.4 | H712 | H712-H714 AromaticContact CE1-CE1 3.39Å; H712-H714 PolarHBondContact CE1-CE1 2.78Å; H712-H714 AromaticContact CE1-ND1 3.93Å; H712-H714 AromaticContact CE1-NE2 3.79Å; H712-H714 AromaticContact ND1-CE1 3.62Å; H712-H714 AromaticContact ND1-ND1 3.67Å |
| 715 | S | 22.2 | Very low | 29.4 | Very low | 99 Ų | 99 | 131.2 Ų | 131.2 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | | | cis | 103.5 | 146.9 | 21.5 | -63.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 716 | N | 23.8 | Very low | 29.6 | Very low | 148 Ų | 148 | 127.9 Ų | 127.9 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | | | trans | 72.2 | 111.2 | 176.3 | -55.2 | -8.4 | 0 | 0 | 0 | 113.5 | | |
| 717 | S | 23.5 | Very low | 29.8 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | | | | 75.1 | 144.7 | 77.2 | 85.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 718 | S | 24.9 | Very low | 29.8 | Very low | 93 Ų | 93 | 126.5 Ų | 126.5 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | | | cis | -155 | -175.7 | 22.3 | -49.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 719 | D | 24.7 | Very low | 30 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | | | trans | 71.4 | 115.1 | 145.1 | -84.1 | -82.7 | 0 | 0 | 0 | 125.5 | | |
| 720 | S | 28.1 | Very low | 30 | Very low | 109 Ų | 109 | 127.8 Ų | 127.8 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | | 74.7 | -177.3 | 118.9 | -145.7 | 0 | 0 | 0 | 0 | 122.3 | | |
| 721 | L | 38.1 | Very low | 30.1 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | trans | -116.9 | 135.9 | -149.8 | -68.3 | 172.4 | 0 | 0 | 0 | 116.3 | | |
| 722 | D | 32 | Very low | 30.1 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | | | trans | 59.5 | 149.3 | 138.7 | -131.4 | -36.7 | 0 | 0 | 0 | 123.4 | | |
| 723 | S | 31 | Very low | 30.6 | Very low | 86 Ų | 86 | 135.2 Ų | 135.2 | 60% | 0.601 | 78% | 0.775 | S | S | * | * | | | trans | 78.1 | 103.6 | 153.6 | -69.7 | 0 | 0 | 0 | 0 | 123.2 | | |
| 724 | T | 40.2 | Very low | 30.9 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 92% | 0.92 | 78% | 0.779 | S | S | * | * | | | trans | 71.4 | 169.7 | 135.7 | 63 | 0 | 0 | 0 | 0 | 120.7 | | |
| 725 | R | 30.5 | Very low | 30.7 | Very low | 234 Ų | 234 | 139.6 Ų | 139.6 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | | | trans | -118.7 | 134.5 | -159.4 | 178.2 | -173.1 | -174.5 | -171.5 | 3.5 | 111.9 | | |
| 726 | A | 31.5 | Very low | 32 | Very low | 94 Ų | 94 | 140.2 Ų | 140.2 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | | | trans | 71.1 | 140.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 727 | N | 35.3 | Very low | 33 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | cis | -161.5 | 160.3 | -14.5 | -159.2 | 7.5 | 0 | 0 | 0 | 111.2 | | |
| 728 | S | 30.5 | Very low | 33.2 | Very low | 89 Ų | 89 | 140.7 Ų | 140.7 | 62% | 0.622 | 78% | 0.784 | S | S | * | * | | | trans | 73.9 | 121.1 | 158.1 | -54.7 | 0 | 0 | 0 | 0 | 122.9 | | |
| 729 | L | 34.3 | Very low | 33.3 | Very low | 172 Ų | 172 | 142.8 Ų | 142.8 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | | | trans | 77.6 | 126.2 | 141.9 | -62.4 | 167.6 | 0 | 0 | 0 | 124.2 | | |
| 730 | A | 30.8 | Very low | 33.8 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | 78.2 | 91.4 | 139.5 | 0 | 0 | 0 | 0 | 0 | 125.3 | | |
| 731 | R | 33.3 | Very low | 34.7 | Very low | 257 Ų | 257 | 142.9 Ų | 142.9 | 97% | 0.97 | 78% | 0.782 | S | S | * | * | | | | 59.1 | 93.9 | 121.7 | -159 | -177.4 | -165 | 176.1 | 4.7 | 123.3 | | |
| 732 | G | 30.9 | Very low | 34.9 | Very low | 67 Ų | 67 | 143.1 Ų | 143.1 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | | 115 | 116.5 | 110 | 0 | 0 | 0 | 0 | 0 | 125.1 | | |
| 733 | I | 38.3 | Very low | 36.1 | Very low | 170 Ų | 170 | 141 Ų | 141 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | | | trans | 71.9 | 171.4 | 139.9 | -8.1 | -173.2 | 0 | 0 | 0 | 119.2 | | |
| 734 | P | 37.3 | Very low | 36.2 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | | | | -119.6 | -174.7 | -97.8 | 42.3 | -28.6 | 0 | 0 | 0 | 120.3 | | |
| 735 | R | 24.4 | Very low | 35.9 | Very low | 237 Ų | 237 | 141 Ų | 141 | 89% | 0.894 | 77% | 0.772 | S | S | * | * | | | trans | -70 | -174.5 | 172.2 | -73 | 179.3 | 175.5 | 160.8 | -2.7 | 115.4 | | |
| 736 | P | 48.3 | Very low | 36.1 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | cis | -134.7 | -144.4 | -46.8 | 39.7 | -19.3 | 0 | 0 | 0 | 110.6 | | |
| 737 | P | 46 | Very low | 37.2 | Very low | 97 Ų | 97 | 137 Ų | 137 | 63% | 0.63 | 77% | 0.767 | S | S | * | * | | | cis | -124.8 | -173.4 | -37.6 | 25.5 | -2.1 | 0 | 0 | 0 | 115 | | |
| 738 | H | 26.1 | Very low | 37.2 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | | | trans | 82.9 | 126.9 | 154.7 | -71.1 | -62.5 | 0 | 0 | 0 | 124.1 | | |
| 739 | I | 27.4 | Very low | 37.2 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | | | trans | 79.5 | 98.6 | 134.1 | -64.8 | 170.6 | 0 | 0 | 0 | 121.7 | | |
| 740 | I | 35.3 | Very low | 37.5 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 82% | 0.815 | 76% | 0.756 | S | S | * | * | | | trans | 36.3 | 177.9 | 139.1 | 21 | 177.7 | 0 | 0 | 0 | 122.8 | | |
| 741 | P | 47 | Very low | 37.8 | Very low | 99 Ų | 99 | 140.9 Ų | 140.9 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | | | cis | -136.2 | 162.5 | -44.3 | 37.5 | -19.6 | 0 | 0 | 0 | 118.2 | | |
| 742 | I | 42.8 | Very low | 37.9 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | | | trans | 66.6 | 175.8 | 145.3 | -77.1 | 170.3 | 0 | 0 | 0 | 117.5 | | |
| 743 | P | 57.3 | Low | 38.2 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | | | cis | -127.7 | -147.3 | -6.6 | 28.2 | -0.8 | 0 | 0 | 0 | 116.4 | | |
| 744 | I | 32.8 | Very low | 38 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | | | trans | 96.7 | 152.1 | 151.6 | -76.3 | 162.1 | 0 | 0 | 0 | 121.4 | | |
| 745 | A | 34.9 | Very low | 37.7 | Very low | 72 Ų | 72 | 136.1 Ų | 136.1 | 60% | 0.595 | 75% | 0.75 | S | S | * | * | | | cis | -176.3 | 165.9 | -48.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 746 | T | 32.9 | Very low | 38.1 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 82% | 0.816 | 74% | 0.741 | S | S | * | * | | | trans | 81.8 | 165.2 | 156.6 | 75.2 | 0 | 0 | 0 | 0 | 122.1 | | |
| 747 | P | 54.6 | Low | 37.8 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | | | cis | -141.8 | 158.2 | 3 | 40.8 | -21.2 | 0 | 0 | 0 | 121.1 | | |
| 748 | R | 36.8 | Very low | 37.2 | Very low | 208 Ų | 208 | 131.1 Ų | 131.1 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | | | trans | 65.9 | 171.7 | 149.5 | -80 | -160.9 | 129.8 | 84.9 | 15.1 | 121.2 | | |
| 749 | E | 29.9 | Very low | 37.4 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 62% | 0.617 | 75% | 0.753 | S | S | * | * | | | cis | 175.5 | -174.5 | -39.2 | -115.3 | 168.5 | 47.7 | 0 | 0 | 109.1 | | |
| 750 | P | 41.1 | Very low | 37.4 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 69% | 0.688 | 75% | 0.753 | S | S | * | * | | | cis | -137.8 | -164.7 | -31.3 | 37.9 | -15.7 | 0 | 0 | 0 | 115.9 | | |
| 751 | V | 35.7 | Very low | 37.1 | Very low | 142 Ų | 142 | 128.6 Ų | 128.6 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | | | trans | 79.5 | 146.9 | 167.7 | -175.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 752 | I | 35.8 | Very low | 36.1 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | | | trans | -93.4 | 139.6 | -172.1 | -65.9 | 171.3 | 0 | 0 | 0 | 110.1 | | |
| 753 | P | 38.6 | Very low | 35.4 | Very low | 110 Ų | 110 | 127 Ų | 127 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | | | | -148.6 | 167.5 | 57 | 41.9 | -22.5 | 0 | 0 | 0 | 120.1 | | |
| 754 | S | 32.3 | Very low | 33.8 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | 66.7 | 143.2 | 153.7 | -80.3 | 0 | 0 | 0 | 0 | 121.8 | | |
| 755 | T | 31.1 | Very low | 33.4 | Very low | 141 Ų | 141 | 126 Ų | 126 | 87% | 0.865 | 76% | 0.756 | S | S | * | * | | | trans | 67.2 | 137 | 167.4 | 55.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 756 | A | 34 | Very low | 32.9 | Very low | 83 Ų | 83 | 126.8 Ų | 126.8 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | | | trans | 60.5 | 110.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 757 | N | 41.7 | Very low | 32.6 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | | | trans | 59.2 | 113.1 | 140.2 | -51.7 | -9.9 | 0 | 0 | 0 | 120.4 | | |
| 758 | A | 33.1 | Very low | 31.1 | Very low | 94 Ų | 94 | 129 Ų | 129 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | | | trans | -177.5 | 165.1 | 132.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 759 | S | 29.6 | Very low | 30.5 | Very low | 106 Ų | 106 | 124.6 Ų | 124.6 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | | | trans | 72.3 | 157.1 | 145.6 | -75.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 760 | T | 28.7 | Very low | 30.2 | Very low | 117 Ų | 117 | 126 Ų | 126 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | | | cis | -179.3 | 124.3 | -47 | 31.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 761 | E | 27.7 | Very low | 29.6 | Very low | 189 Ų | 189 | 126 Ų | 126 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | | | trans | -145.4 | 124.9 | 163.7 | -59.3 | 178.2 | -165.9 | 0 | 0 | 105.9 | | |
| 762 | T | 27.6 | Very low | 29.1 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | | | cis | 80.2 | 125.9 | 31.7 | 69.8 | 0 | 0 | 0 | 0 | 116.7 | | |
| 763 | S | 27.2 | Very low | 28.9 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | 64 | 143.2 | 164 | 39 | 0 | 0 | 0 | 0 | 118.4 | | |
| 764 | D | 23.2 | Very low | 28.3 | Very low | 144 Ų | 144 | 127.4 Ų | 127.4 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | cis | -161.2 | 167.2 | -22.3 | -148.4 | -58.9 | 0 | 0 | 0 | 109.5 | | |
| 765 | S | 24.6 | Very low | 28.1 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | | | trans | 52.1 | 110.5 | 149.9 | -70.8 | 0 | 0 | 0 | 0 | 120 | | |
| 766 | A | 24.3 | Very low | 28 | Very low | 89 Ų | 89 | 125.1 Ų | 125.1 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | | | | 161.4 | 132.2 | 97.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 767 | V | 26.4 | Very low | 27.7 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | | | trans | 64.1 | 103.4 | 132.1 | 177.8 | 0 | 0 | 0 | 0 | 120 | | |
| 768 | H | 24.4 | Very low | 27.2 | Very low | 164 Ų | 164 | 128.9 Ų | 128.9 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | | | trans | 73.3 | 150.8 | 135.2 | -86.5 | -99.6 | 0 | 0 | 0 | 124.2 | | |
| 769 | N | 24.4 | Very low | 26.9 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 62% | 0.62 | 78% | 0.777 | S | S | * | * | | | trans | 67.1 | 107.4 | 146.2 | -77.1 | 34.5 | 0 | 0 | 0 | 122.3 | | |
| 770 | E | 22.7 | Very low | 26.8 | Very low | 161 Ų | 161 | 130.6 Ų | 130.6 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | | 92 | 137.7 | 104.1 | -161.3 | 174.8 | 164 | 0 | 0 | 120.5 | | |
| 771 | S | 27.5 | Very low | 26.9 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | | | trans | 12 | 109 | 160.7 | -159.9 | 0 | 0 | 0 | 0 | 119.4 | | |
| 772 | V | 25.1 | Very low | 26.9 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | | | trans | -98.7 | 103 | 160.1 | -178.6 | 0 | 0 | 0 | 0 | 110 | | |
| 773 | K | 32.3 | Very low | 27 | Very low | 201 Ų | 201 | 126.3 Ų | 126.3 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | | | trans | -130.3 | 67 | 155.1 | -165.2 | 172.7 | -177.8 | 177.5 | 0 | 110.5 | G775 | K773-G775 PolarHBondContact O-N 2.83Š|
| 774 | S | 26.8 | Very low | 27 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | -77.3 | 103.8 | -178.8 | -54.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 775 | G | 28.1 | Very low | 27.3 | Very low | 79 Ų | 79 | 129 Ų | 129 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | | | trans | -95.6 | 124.9 | 153.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | K773 | K773-G775 PolarHBondContact O-N 2.83Š|
| 776 | S | 27.8 | Very low | 27.5 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | | | trans | -114.9 | 118.2 | -171.1 | -177.9 | 0 | 0 | 0 | 0 | 113 | | |
| 777 | S | 27.5 | Very low | 27.5 | Very low | 111 Ų | 111 | 135 Ų | 135 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | -157.2 | 98.7 | 159.9 | 60.2 | 0 | 0 | 0 | 0 | 113 | | |
| 778 | K | 31.5 | Very low | 27.6 | Very low | 214 Ų | 214 | 134.1 Ų | 134.1 | 93% | 0.93 | 77% | 0.773 | S | S | * | * | | | trans | 22.3 | 125.4 | 147.9 | -59.6 | 176.2 | 179.4 | 177.1 | 0 | 119.7 | | |
| 779 | G | 28.4 | Very low | 27.9 | Very low | 81 Ų | 81 | 130.5 Ų | 130.5 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | | | trans | 172.9 | 140.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 780 | N | 27.3 | Very low | 28.7 | Very low | 155 Ų | 155 | 131 Ų | 131 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | | | trans | -148.1 | 166.1 | -179.6 | -161.7 | 0.5 | 0 | 0 | 0 | 110.7 | | |
| 781 | L | 30.1 | Very low | 29 | Very low | 150 Ų | 150 | 131 Ų | 131 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | 89.3 | 86.3 | 175.1 | -50.9 | 179.3 | 0 | 0 | 0 | 118.3 | | |
| 782 | A | 26.8 | Very low | 30 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | | 75.3 | 132.3 | 110.5 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 783 | A | 30.5 | Very low | 30.2 | Very low | 89 Ų | 89 | 134.4 Ų | 134.4 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | trans | 102.4 | 130.3 | 131.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 784 | E | 27.2 | Very low | 30.3 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | trans | 42.4 | 116.9 | 155.4 | -47 | -56.4 | 95.3 | 0 | 0 | 119.1 | | |
| 785 | E | 29.4 | Very low | 30.5 | Very low | 153 Ų | 153 | 140 Ų | 140 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | | | cis | 87.1 | -177.2 | 29.3 | -138.4 | -124 | 98.9 | 0 | 0 | 115.9 | | |
| 786 | L | 28.6 | Very low | 30.9 | Very low | 135 Ų | 135 | 143.8 Ų | 143.8 | 71% | 0.707 | 79% | 0.786 | S | S | * | * | | | trans | 79.7 | 130.1 | -170.3 | -46.2 | -175.2 | 0 | 0 | 0 | 115.9 | | |
| 787 | F | 25.6 | Very low | 30.9 | Very low | 181 Ų | 181 | 142.7 Ų | 142.7 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | cis | -152.6 | -179.7 | -6 | -161.2 | -112.3 | 0 | 0 | 0 | 112 | | |
| 788 | V | 28.5 | Very low | 31 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 66% | 0.655 | 78% | 0.775 | S | S | * | * | | | trans | -142.6 | 155.7 | -152.5 | 163 | 0 | 0 | 0 | 0 | 114.9 | | |
| 789 | A | 28.9 | Very low | 30.9 | Very low | 87 Ų | 87 | 140.1 Ų | 140.1 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | | | trans | 79.4 | 169 | 158.6 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 790 | P | 42.2 | Very low | 31 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | | | cis | -139.4 | 169.9 | 12.6 | 43.1 | -23.7 | 0 | 0 | 0 | 121.9 | | |
| 791 | L | 28.2 | Very low | 31.1 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | | | trans | -62.1 | -172.6 | 166.3 | -86.7 | 169.4 | 0 | 0 | 0 | 116.1 | | |
| 792 | P | 48.8 | Very low | 30.8 | Very low | 96 Ų | 96 | 139.7 Ų | 139.7 | 62% | 0.623 | 76% | 0.758 | S | S | * | * | | | cis | -147.4 | -178.9 | -16.1 | 30.7 | -5.8 | 0 | 0 | 0 | 119.2 | | |
| 793 | R | 29.9 | Very low | 31.1 | Very low | 214 Ų | 214 | 140.7 Ų | 140.7 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | | | trans | 71.8 | 126.4 | 153.5 | -33.2 | -174.5 | 76.1 | 160.3 | 2.1 | 122.7 | | |
| 794 | R | 34.6 | Very low | 30.9 | Very low | 226 Ų | 226 | 143 Ų | 143 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | | | | 178.9 | 178.7 | 106.1 | -94.5 | 168.5 | -168.6 | 86.3 | -9.5 | 114.2 | | |
| 795 | K | 31.6 | Very low | 30.9 | Very low | 199 Ų | 199 | 139.9 Ų | 139.9 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | | | trans | -123 | -176.1 | -178.2 | -69.7 | -172.7 | 174.1 | -172.4 | 0 | 111.6 | | |
| 796 | L | 34.7 | Very low | 30.6 | Very low | 160 Ų | 160 | 140 Ų | 140 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | | | trans | 107.9 | 135 | 166.7 | -60.4 | 175.1 | 0 | 0 | 0 | 114.2 | | |
| 797 | S | 28.5 | Very low | 30.5 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | | | cis | 79.9 | 134.2 | 5.8 | 89.9 | 0 | 0 | 0 | 0 | 118.5 | | |
| 798 | S | 29.4 | Very low | 30.3 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | | | cis | -168.5 | -149.6 | -3.5 | 51.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 799 | I | 30.8 | Very low | 30.2 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | | | trans | 77.9 | 148.6 | 177.6 | -65.5 | 164.1 | 0 | 0 | 0 | 114.7 | | |
| 800 | G | 29.3 | Very low | 30.3 | Very low | 60 Ų | 60 | 141.7 Ų | 141.7 | 62% | 0.619 | 76% | 0.756 | S | S | * | * | | | cis | 159.1 | 161.7 | -14.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 801 | I | 30.2 | Very low | 29.4 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | | | trans | 61.7 | 139.2 | 146.2 | -59.2 | 176.1 | 0 | 0 | 0 | 121.8 | | |
| 802 | Q | 23.8 | Very low | 29.4 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | | | trans | 67.1 | 132 | 168.9 | -80.6 | 169.4 | -95.8 | 0 | 0 | 116.8 | | |
| 803 | V | 32.7 | Very low | 28.3 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 70% | 0.703 | 74% | 0.743 | S | S | * | * | | | cis | 70.5 | 96.9 | 31.6 | -170.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 804 | D | 26.9 | Very low | 28.2 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | | | | -172.2 | 165.1 | 106 | -127.1 | -45.7 | 0 | 0 | 0 | 115.3 | | |
| 805 | C | 25.8 | Very low | 28.6 | Very low | 94 Ų | 94 | 136 Ų | 136 | 64% | 0.635 | 74% | 0.736 | S | S | * | * | | | trans | 70 | 137.1 | 142.5 | -79.6 | 0 | 0 | 0 | 0 | 126.6 | | |
| 806 | I | 24.3 | Very low | 29.6 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 80% | 0.795 | 73% | 0.727 | S | S | * | * | | | trans | 82.3 | 101.2 | 136.8 | -65.5 | 165.3 | 0 | 0 | 0 | 121.1 | | |
| 807 | Q | 25.2 | Very low | 29.4 | Very low | 159 Ų | 159 | 130.5 Ų | 130.5 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | | | | 38.9 | 147.6 | 114.7 | -175.4 | 162.8 | -30 | 0 | 0 | 123.8 | | |
| 808 | E | 22.9 | Very low | 29.6 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 70% | 0.696 | 72% | 0.718 | S | S | * | * | | | trans | 92.4 | 104.6 | 157.3 | -95.6 | 162.1 | -123.2 | 0 | 0 | 122.1 | | |
| 809 | V | 25 | Very low | 29.5 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | | | | 38.8 | 121.6 | 113.3 | -180 | 0 | 0 | 0 | 0 | 116.7 | | |
| 810 | P | 32.4 | Very low | 29.4 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | | | | -154.6 | 151.6 | 76 | 39.9 | -20.7 | 0 | 0 | 0 | 120 | | |
| 811 | R | 23.1 | Very low | 29.4 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | | | trans | 52.3 | 174.2 | 140.6 | -66 | -175.6 | 164.4 | -121 | -10.8 | 119 | E813 | R811-E813 IonicContact CZ-OE2 2.72Å; R811-E813 IonicContact NH1-OE2 2.74Å |
| 812 | E | 27.7 | Very low | 29.3 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | | | cis | -154.6 | 147.2 | 2.5 | -143.8 | 156.9 | 44.9 | 0 | 0 | 108.4 | | |
| 813 | E | 25.8 | Very low | 29.6 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | | | cis | -158.4 | 177.7 | -33.8 | -160 | 147.1 | 107.9 | 0 | 0 | 109.5 | R811 | R811-E813 IonicContact CZ-OE2 2.72Å; R811-E813 IonicContact NH1-OE2 2.74Å |
| 814 | T | 27.8 | Very low | 29.4 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 69% | 0.693 | 73% | 0.734 | S | S | * | * | | | trans | -56.3 | 173.9 | 173.1 | 6.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 815 | P | 42.6 | Very low | 29.9 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 81% | 0.805 | 74% | 0.738 | S | S | * | * | | | | -147.6 | -179.7 | 60.6 | 34.1 | -7.6 | 0 | 0 | 0 | 117.6 | | |
| 816 | P | 53.8 | Low | 30 | Very low | 105 Ų | 105 | 141 Ų | 141 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | | | trans | -133.3 | -150.1 | -144.6 | 41.6 | -21.7 | 0 | 0 | 0 | 113.8 | | |
| 817 | L | 30.3 | Very low | 30.4 | Very low | 137 Ų | 137 | 138 Ų | 138 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | | | | 169.6 | 140 | 106.7 | -156.6 | 77.4 | 0 | 0 | 0 | 115.2 | | |
| 818 | A | 31.6 | Very low | 30.6 | Very low | 74 Ų | 74 | 138 Ų | 138 | 61% | 0.612 | 74% | 0.735 | S | S | * | * | | | trans | 67.5 | 157.8 | 144.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 819 | R | 28.1 | Very low | 30.8 | Very low | 212 Ų | 212 | 137.9 Ų | 137.9 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | | | cis | -164.9 | 166.9 | -25.6 | -107.9 | 177.8 | -153.5 | 160.6 | 7.5 | 110.2 | | |
| 820 | F | 28.6 | Very low | 31 | Very low | 190 Ų | 190 | 135.5 Ų | 135.5 | 83% | 0.833 | 74% | 0.74 | S | S | * | * | | | trans | -48.8 | 154.4 | 171.2 | -38.7 | -102.1 | 0 | 0 | 0 | 116.4 | | |
| 821 | Q | 28.8 | Very low | 30.6 | Very low | 195 Ų | 195 | 141 Ų | 141 | 91% | 0.911 | 75% | 0.747 | S | S | * | * | | | | -167.2 | -172 | 107.6 | -109.4 | 178.8 | -1.7 | 0 | 0 | 114.3 | | |
| 822 | S | 28.3 | Very low | 30.7 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | | | trans | -143 | -170.5 | -160.6 | 56.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 823 | I | 29.3 | Very low | 30.7 | Very low | 173 Ų | 173 | 140.3 Ų | 140.3 | 89% | 0.887 | 76% | 0.755 | S | S | * | * | | | trans | 83.3 | 144.5 | 174.4 | -55.4 | 155.1 | 0 | 0 | 0 | 112.7 | | |
| 824 | G | 29.4 | Very low | 30.5 | Very low | 66 Ų | 66 | 138.1 Ų | 138.1 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | | | cis | -159.2 | -157.4 | 8.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 825 | V | 37.6 | Very low | 30.4 | Very low | 133 Ų | 133 | 143.7 Ų | 143.7 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | | | trans | -128.8 | 134.5 | -168.5 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | V827 | V825-V827 HydrophobicContact CG1-CG2 4.08Š|
| 826 | Q | 28.4 | Very low | 29.5 | Very low | 172 Ų | 172 | 142.8 Ų | 142.8 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | -151.1 | 138.8 | 151.3 | -102.1 | 176.3 | -87.3 | 0 | 0 | 107.2 | | |
| 827 | V | 32.8 | Very low | 28.2 | Very low | 93 Ų | 93 | 143.4 Ų | 143.4 | 56% | 0.564 | 77% | 0.766 | S | S | * | * | | | cis | 74.6 | 95.1 | 28.3 | -173.8 | 0 | 0 | 0 | 0 | 113.4 | V825 | V825-V827 HydrophobicContact CG1-CG2 4.08Š|
| 828 | E | 27.8 | Very low | 28 | Very low | 160 Ų | 160 | 142 Ų | 142 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | | -177.3 | 119.8 | 112.6 | -109.5 | 143.7 | 104.4 | 0 | 0 | 106.6 | | |
| 829 | D | 27.6 | Very low | 27.7 | Very low | 146 Ų | 146 | 147 Ų | 147 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | | | | 66.4 | 116.6 | 76.6 | -80.9 | -55.1 | 0 | 0 | 0 | 114.4 | | |
| 830 | G | 28.5 | Very low | 27.9 | Very low | 78 Ų | 78 | 141.2 Ų | 141.2 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -173 | 78.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 831 | W | 24.8 | Very low | 28 | Very low | 227 Ų | 227 | 136.7 Ų | 136.7 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | trans | -67 | 149.4 | 170.2 | -77 | 42 | 0 | 0 | 0 | 111.3 | | |
| 832 | Q | 25.3 | Very low | 28.1 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | | | | -161.5 | 160.1 | 117.9 | -102.7 | -54.7 | -18.8 | 0 | 0 | 112 | | |
| 833 | L | 26.9 | Very low | 28.2 | Very low | 140 Ų | 140 | 140 Ų | 140 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | | | trans | -109.1 | 169.5 | -175.8 | -178.8 | 65.3 | 0 | 0 | 0 | 110.1 | | |
| 834 | S | 23 | Very low | 27.9 | Very low | 89 Ų | 89 | 138.3 Ų | 138.3 | 62% | 0.622 | 77% | 0.766 | S | S | * | * | | | trans | 92.3 | 154.8 | 161.5 | -45.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 835 | R | 25.6 | Very low | 28 | Very low | 230 Ų | 230 | 141.1 Ų | 141.1 | 87% | 0.868 | 77% | 0.77 | S | S | * | * | | | cis | -161.2 | 166.1 | -21.5 | -112.7 | 175.2 | 174 | -164.7 | -1.4 | 107.4 | | |
| 836 | S | 23.5 | Very low | 27.3 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | trans | -35.4 | 146.8 | 161.9 | -29.1 | 0 | 0 | 0 | 0 | 115 | | |
| 837 | S | 26.2 | Very low | 27.2 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | | -173.9 | 162.6 | 99.5 | -76.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 838 | S | 25.2 | Very low | 26.9 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | trans | -35.8 | 154.6 | 168.8 | -40.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 839 | M | 25.6 | Very low | 27.1 | Very low | 179 Ų | 179 | 136.7 Ų | 136.7 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | | | | -164.5 | 166.5 | 108.6 | -91.8 | -104 | 56.1 | 0 | 0 | 110.4 | | |
| 840 | A | 32.7 | Very low | 27.1 | Very low | 90 Ų | 90 | 138.5 Ų | 138.5 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | | | trans | -138.2 | 137.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 841 | A | 30.8 | Very low | 27.1 | Very low | 95 Ų | 95 | 141 Ų | 141 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | trans | -153.3 | 139.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 842 | K | 30.9 | Very low | 27.2 | Very low | 194 Ų | 194 | 137 Ų | 137 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | | | cis | 76.3 | 76.7 | 15.2 | -148.7 | -161.1 | -176.1 | -150.4 | 0 | 115.8 | | |
| 843 | Q | 29.7 | Very low | 27.3 | Very low | 167 Ų | 167 | 133.7 Ų | 133.7 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | | | trans | -153.2 | 110.1 | 149.4 | -153.7 | 143.6 | 26.1 | 0 | 0 | 107.4 | | |
| 844 | E | 24.6 | Very low | 27.3 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 65% | 0.645 | 75% | 0.746 | S | S | * | * | | | | 76.7 | 137 | 80.2 | -65.1 | 175.6 | 154.5 | 0 | 0 | 115.5 | | |
| 845 | T | 29.9 | Very low | 27.6 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | | | trans | 62.3 | 156 | 148.5 | 50.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 846 | D | 24.5 | Very low | 27.7 | Very low | 143 Ų | 143 | 127.6 Ų | 127.6 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | | | cis | -163.1 | 174 | -40.6 | -139.9 | -22 | 0 | 0 | 0 | 111.3 | | |
| 847 | S | 26.4 | Very low | 28 | Very low | 83 Ų | 83 | 130.2 Ų | 130.2 | 58% | 0.58 | 75% | 0.745 | S | S | * | * | | | trans | 20.8 | 126.3 | 146 | -95.1 | 0 | 0 | 0 | 0 | 123.3 | | |
| 848 | D | 26.6 | Very low | 28.1 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 68% | 0.679 | 74% | 0.741 | S | S | * | * | | | | 85.6 | 111.9 | 121.9 | -74.7 | -59.1 | 0 | 0 | 0 | 124.3 | | |
| 849 | T | 31.9 | Very low | 28.1 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | | | | 46.2 | 120.1 | 101.6 | -43.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 850 | Q | 26.8 | Very low | 28.1 | Very low | 183 Ų | 183 | 130.3 Ų | 130.3 | 86% | 0.855 | 73% | 0.733 | S | S | * | * | | | trans | 171.8 | 155.6 | 132.6 | -93.6 | 178.3 | 13.5 | 0 | 0 | 109.6 | | |
| 851 | D | 28.2 | Very low | 27.8 | Very low | 132 Ų | 132 | 130 Ų | 130 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | | | cis | -173.7 | 174.2 | -23.3 | -166.6 | 8.3 | 0 | 0 | 0 | 109.9 | | |
| 852 | I | 27.9 | Very low | 27.6 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 72% | 0.723 | 73% | 0.731 | S | S | * | * | | | trans | 69.4 | 134.7 | 160.4 | -55.4 | -178.3 | 0 | 0 | 0 | 117.1 | | |
| 853 | S | 26.6 | Very low | 27.3 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | | | cis | -166.2 | -155.9 | -16.5 | -86.4 | 0 | 0 | 0 | 0 | 106.4 | | |
| 854 | A | 26.7 | Very low | 27.2 | Very low | 81 Ų | 81 | 130.7 Ų | 130.7 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | | | cis | -161.5 | 140.5 | 6.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 855 | I | 30.2 | Very low | 27.2 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 82% | 0.815 | 72% | 0.718 | S | S | * | * | | | trans | 44.2 | 117.3 | 131.5 | -51.9 | 170.1 | 0 | 0 | 0 | 121.1 | | |
| 856 | S | 27.4 | Very low | 27.3 | Very low | 91 Ų | 91 | 129.8 Ų | 129.8 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | | | | 173.8 | 164.7 | 111.7 | 45.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 857 | H | 29.3 | Very low | 27.6 | Very low | 160 Ų | 160 | 129.5 Ų | 129.5 | 74% | 0.741 | 70% | 0.701 | S | S | * | * | | | trans | 67.7 | 83.3 | 172 | -51.4 | -70.9 | 0 | 0 | 0 | 117.8 | | |
| 858 | I | 28 | Very low | 27.5 | Very low | 146 Ų | 146 | 128.9 Ų | 128.9 | 75% | 0.749 | 69% | 0.694 | S | S | * | * | | | | 75.3 | 96 | 78.2 | -63.1 | 167.3 | 0 | 0 | 0 | 112.7 | | |
| 859 | N | 26.1 | Very low | 27.3 | Very low | 147 Ų | 147 | 129.4 Ų | 129.4 | 79% | 0.786 | 69% | 0.693 | S | S | * | * | | | | 75.8 | 137.5 | 87.4 | -103.4 | -23.5 | 0 | 0 | 0 | 114.3 | | |
| 860 | V | 24.9 | Very low | 27.1 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 69% | 0.691 | 69% | 0.692 | S | S | * | * | | | cis | -145.1 | 131.5 | 13.6 | -172.4 | 0 | 0 | 0 | 0 | 107.3 | | |
| 861 | A | 26.5 | Very low | 26.9 | Very low | 83 Ų | 83 | 128 Ų | 128 | 69% | 0.686 | 69% | 0.692 | S | S | * | * | | | | 50.4 | 151.9 | 86.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 862 | K | 27.6 | Very low | 27 | Very low | 183 Ų | 183 | 127 Ų | 127 | 80% | 0.796 | 69% | 0.694 | S | S | * | * | | | cis | -163 | 134.3 | 32.5 | -119.5 | 171.6 | -174.3 | 176.7 | 0 | 112.6 | | |
| 863 | T | 24 | Very low | 26.9 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 72% | 0.724 | 70% | 0.701 | S | S | * | * | | | | 41 | 140.7 | 124.9 | 67 | 0 | 0 | 0 | 0 | 124.6 | | |
| 864 | F | 26.8 | Very low | 26.8 | Very low | 171 Ų | 171 | 125.1 Ų | 125.1 | 75% | 0.75 | 70% | 0.701 | S | S | * | * | | | | 127.9 | 127.5 | 113 | -137.8 | -134.6 | 0 | 0 | 0 | 120 | | |
| 865 | E | 25.2 | Very low | 26.8 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 52% | 0.519 | 71% | 0.709 | S | S | . | * | | | trans | 72.3 | 132.4 | 140.6 | -84 | -163.1 | 175.8 | 0 | 0 | 129 | | |
| 866 | K | 31.2 | Very low | 26.5 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 58% | 0.578 | 70% | 0.703 | S | S | * | * | | | trans | 54 | 116.8 | 132.9 | -72 | 180 | -164.4 | 142.1 | 0 | 124 | | |
| 867 | K | 30.7 | Very low | 26.4 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 59% | 0.591 | 71% | 0.712 | S | S | * | * | | | | 73.6 | 92.2 | 113.4 | -164.1 | 178.9 | 179.5 | -176.7 | 0 | 120.8 | | |
| 868 | V | 24.3 | Very low | 26.2 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 43% | 0.43 | 71% | 0.714 | S | S | . | * | | | | 67.6 | 140.1 | 123.4 | 175.5 | 0 | 0 | 0 | 0 | 121.5 | P151 | P151-V868 HydrophobicContact CG-CG2 4.36Š|
| 869 | M | 22.6 | Very low | 25.9 | Very low | 137 Ų | 137 | 126.5 Ų | 126.5 | 68% | 0.675 | 71% | 0.714 | S | S | * | * | | | trans | 89.8 | 104.2 | 159.6 | -96.8 | -173.9 | -77.1 | 0 | 0 | 120.7 | | |
| 870 | V | 27.9 | Very low | 26.9 | Very low | 108 Ų | 108 | 125.2 Ų | 125.2 | 66% | 0.655 | 71% | 0.714 | S | S | * | * | | | | 44.8 | 116.6 | 114.4 | 179.7 | 0 | 0 | 0 | 0 | 118 | | |
| 871 | N | 23.2 | Very low | 28.3 | Very low | 159 Ų | 159 | 125.7 Ų | 125.7 | 85% | 0.85 | 72% | 0.719 | S | S | * | * | | | | -150.9 | 159.7 | 112.6 | -148.3 | -0.1 | 0 | 0 | 0 | 112.6 | | |
| 872 | S | 30 | Very low | 28.4 | Very low | 109 Ų | 109 | 125 Ų | 125 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | | | trans | -100.5 | 138.3 | 172.4 | -61 | 0 | 0 | 0 | 0 | 110.7 | | |
| 873 | A | 25.2 | Very low | 28.5 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | | | trans | -145.2 | 148 | 167 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 874 | S | 26 | Very low | 28.7 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | | | trans | -104.7 | 174.6 | -158.6 | -46.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 875 | Q | 26 | Very low | 28.7 | Very low | 181 Ų | 181 | 122.3 Ų | 122.3 | 85% | 0.846 | 72% | 0.721 | S | S | * | * | | | trans | 89.1 | 102.6 | 153.3 | -65 | 168.1 | 104.2 | 0 | 0 | 120.8 | | |
| 876 | S | 24.1 | Very low | 29.1 | Very low | 100 Ų | 100 | 124.6 Ų | 124.6 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | | | | 81.6 | 155.7 | 106.3 | -148.1 | 0 | 0 | 0 | 0 | 122 | | |
| 877 | M | 25.2 | Very low | 28.9 | Very low | 165 Ų | 165 | 124.9 Ų | 124.9 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | | | trans | 72.9 | 146.8 | 170.8 | -42.8 | -50.2 | -120.4 | 0 | 0 | 116.3 | | |
| 878 | S | 24 | Very low | 29 | Very low | 111 Ų | 111 | 125 Ų | 125 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | cis | -168.6 | 157.7 | -21 | 49.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 879 | S | 23.2 | Very low | 29.2 | Very low | 109 Ų | 109 | 125.3 Ų | 125.3 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | | | trans | -72.9 | -165.6 | 167.2 | -36.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 880 | P | 46.6 | Very low | 29.5 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | cis | -134.9 | -134.3 | -3.3 | 38.3 | -13.4 | 0 | 0 | 0 | 110.6 | | |
| 881 | P | 54.1 | Low | 29.9 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | | | cis | -137.2 | 172.4 | -21.3 | 34.6 | -13.7 | 0 | 0 | 0 | 118.8 | | |
| 882 | G | 29.2 | Very low | 30.3 | Very low | 70 Ų | 70 | 127.2 Ų | 127.2 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | 127.8 | 168.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 883 | Q | 28.6 | Very low | 30.4 | Very low | 173 Ų | 173 | 125 Ų | 125 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | | | cis | -171.3 | 163.8 | -25.9 | -82.1 | -158.1 | -94.5 | 0 | 0 | 106.8 | | |
| 884 | D | 28.1 | Very low | 30.6 | Very low | 134 Ų | 134 | 127.6 Ų | 127.6 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | | | cis | -169.7 | 177.4 | -30.6 | -88.9 | -19.5 | 0 | 0 | 0 | 110.1 | | |
| 885 | S | 27.5 | Very low | 30.9 | Very low | 107 Ų | 107 | 128 Ų | 128 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | 83.1 | 94.7 | 159.1 | -164.4 | 0 | 0 | 0 | 0 | 123.4 | | |
| 886 | L | 33.5 | Very low | 31.2 | Very low | 159 Ų | 159 | 124.1 Ų | 124.1 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | | 30.9 | 136.4 | 124.8 | -59.8 | 167.4 | 0 | 0 | 0 | 123.2 | | |
| 887 | D | 27 | Very low | 31.7 | Very low | 139 Ų | 139 | 124.7 Ų | 124.7 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | | -175 | -163.9 | 91.4 | -152 | 63.1 | 0 | 0 | 0 | 115.2 | | |
| 888 | N | 32.1 | Very low | 33.1 | Very low | 138 Ų | 138 | 122.4 Ų | 122.4 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | | | trans | -103.4 | 162.4 | -144.8 | -69 | -70.7 | 0 | 0 | 0 | 121.4 | | |
| 889 | G | 29.7 | Very low | 34.4 | Very low | 78 Ų | 78 | 122.8 Ų | 122.8 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | 84.2 | 163.3 | 136.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 890 | D | 28.2 | Very low | 36.3 | Very low | 147 Ų | 147 | 122.8 Ų | 122.8 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | | | cis | -160.5 | -169.4 | -21.7 | -165.2 | 12.9 | 0 | 0 | 0 | 110.4 | | |
| 891 | Q | 35.5 | Very low | 36.6 | Very low | 153 Ų | 153 | 121.6 Ų | 121.6 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | | | trans | -91.8 | 175.7 | -158.1 | -61.4 | 152.1 | 83.5 | 0 | 0 | 119.9 | | |
| 892 | T | 32.1 | Very low | 35.7 | Very low | 144 Ų | 144 | 126 Ų | 126 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | | | trans | 78.2 | 154.8 | 157.4 | 69.7 | 0 | 0 | 0 | 0 | 119.7 | | |
| 893 | G | 32.8 | Very low | 36 | Very low | 64 Ų | 64 | 128.7 Ų | 128.7 | 66% | 0.66 | 75% | 0.749 | S | S | * | * | | | cis | 158.6 | 145.7 | -13.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 894 | D | 29.8 | Very low | 36 | Very low | 158 Ų | 158 | 127.2 Ų | 127.2 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | | | trans | 63.1 | 161.1 | 155.1 | -70.7 | -12 | 0 | 0 | 0 | 121.1 | | |
| 895 | T | 31.3 | Very low | 36.1 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | | | cis | -159.1 | 159.9 | -10.3 | 16.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 896 | S | 32.7 | Very low | 36 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | | | trans | 70.6 | 141.4 | 148.7 | 64.1 | 0 | 0 | 0 | 0 | 121.5 | | |
| 897 | S | 34.1 | Very low | 35.7 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | | | cis | 82 | 163.5 | 29.5 | -55.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 898 | P | 54.3 | Low | 35.6 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | | | cis | -123 | -157.6 | 18.9 | 39.8 | -17.7 | 0 | 0 | 0 | 111.8 | | |
| 899 | P | 52.1 | Low | 35.2 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | | | cis | -135.6 | -124.9 | 7.3 | 45.9 | -22.1 | 0 | 0 | 0 | 114.5 | | |
| 900 | P | 63.3 | Low | 35.1 | Very low | 110 Ų | 110 | 132 Ų | 132 | 71% | 0.714 | 74% | 0.742 | S | S | * | * | | | trans | -124.9 | -138.8 | -154.1 | 39.2 | -11.8 | 0 | 0 | 0 | 110.8 | | |
| 901 | P | 52.3 | Low | 35.1 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 61% | 0.61 | 75% | 0.745 | S | S | * | * | | | cis | -139.5 | 145.8 | -17.9 | 32.7 | -11.3 | 0 | 0 | 0 | 117.7 | | |
| 902 | R | 36.3 | Very low | 34.6 | Very low | 216 Ų | 216 | 133.2 Ų | 133.2 | 82% | 0.815 | 75% | 0.745 | S | S | * | * | | | trans | 66.6 | 169.6 | 148.5 | -62 | 169.3 | -173.5 | -88.2 | 2.4 | 115.6 | | |
| 903 | Q | 34.6 | Very low | 34.4 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 59% | 0.593 | 74% | 0.741 | S | S | * | * | | | cis | -162.7 | 170 | -21.6 | -114.5 | 171.2 | -117.5 | 0 | 0 | 110.2 | | |
| 904 | I | 29.5 | Very low | 34.2 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 73% | 0.728 | 75% | 0.746 | S | S | * | * | | | trans | 73.2 | 141.7 | 150.5 | -81.3 | 163.9 | 0 | 0 | 0 | 117.8 | | |
| 905 | L | 29 | Very low | 33.9 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 71% | 0.707 | 74% | 0.743 | S | S | * | * | | | cis | -163.2 | 156.1 | -23.2 | -167.7 | 60.1 | 0 | 0 | 0 | 111.8 | | |
| 906 | N | 26.6 | Very low | 33.7 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | | | trans | -5.7 | 136.1 | 163.8 | -49.1 | -11.7 | 0 | 0 | 0 | 120.7 | | |
| 907 | R | 25.8 | Very low | 33.3 | Very low | 240 Ų | 240 | 136.5 Ų | 136.5 | 91% | 0.906 | 76% | 0.756 | S | S | * | * | | | | -176.3 | -178.9 | 89.7 | -151.2 | 163.7 | -173.6 | -96.5 | 1.4 | 112.1 | | |
| 908 | S | 25.9 | Very low | 33.1 | Very low | 97 Ų | 97 | 135.3 Ų | 135.3 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | | | trans | -119.6 | 174 | -157.4 | -35.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 909 | T | 24.3 | Very low | 31.9 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | | | trans | 99.2 | 98.1 | 142.9 | -57.6 | 0 | 0 | 0 | 0 | 121 | | |
| 910 | T | 27.7 | Very low | 31.4 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | trans | 55 | 152.8 | 135.7 | 70.6 | 0 | 0 | 0 | 0 | 124.9 | | |
| 911 | R | 26.8 | Very low | 29.9 | Very low | 225 Ų | 225 | 139.9 Ų | 139.9 | 85% | 0.849 | 76% | 0.755 | S | S | * | * | | | trans | 106.1 | 109 | 152.2 | -58.6 | 178 | 72.5 | -149.1 | 1.9 | 119.9 | | |
| 912 | S | 24.5 | Very low | 29 | Very low | 101 Ų | 101 | 140.6 Ų | 140.6 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | | 59.4 | 113.1 | 127 | -55.5 | 0 | 0 | 0 | 0 | 123.1 | | |
| 913 | S | 29.9 | Very low | 29.2 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | | | trans | 83.7 | 140.1 | 130.7 | -52.6 | 0 | 0 | 0 | 0 | 122.4 | | |
| 914 | S | 26.7 | Very low | 29.2 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | | | trans | 104.3 | 109.3 | 144.9 | -57.4 | 0 | 0 | 0 | 0 | 121 | | |
| 915 | S | 24.2 | Very low | 29.7 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | trans | 66.2 | 125.9 | 132.7 | 64.5 | 0 | 0 | 0 | 0 | 123.4 | | |
| 916 | S | 26.5 | Very low | 30 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | | | trans | 76.8 | 115.8 | 140.8 | -158.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 917 | F | 24.6 | Very low | 30.7 | Very low | 198 Ų | 198 | 129.9 Ų | 129.9 | 87% | 0.868 | 74% | 0.741 | S | S | * | * | | | | -142.8 | 158 | 128.3 | -147.7 | -100.2 | 0 | 0 | 0 | 110.5 | | |
| 918 | S | 29.3 | Very low | 31.3 | Very low | 88 Ų | 88 | 122.3 Ų | 122.3 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | | | trans | -99.2 | 144.4 | -173.1 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 919 | E | 29.7 | Very low | 31.7 | Very low | 182 Ų | 182 | 122.1 Ų | 122.1 | 85% | 0.85 | 72% | 0.724 | S | S | * | * | | | trans | -113.7 | 123.7 | 163 | -165.4 | 155.6 | 163 | 0 | 0 | 109.6 | | |
| 920 | S | 41.9 | Very low | 32.3 | Very low | 103 Ų | 103 | 123.2 Ų | 123.2 | 72% | 0.72 | 73% | 0.725 | S | S | * | * | | | trans | -115.9 | 117.1 | -173.5 | 57.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 921 | L | 32.7 | Very low | 32.8 | Very low | 156 Ų | 156 | 122.3 Ų | 122.3 | 82% | 0.817 | 72% | 0.721 | S | S | * | * | | | trans | -127.8 | 126.3 | 173.1 | -70.2 | 175.2 | 0 | 0 | 0 | 111.5 | | |
| 922 | D | 32.2 | Very low | 33.5 | Very low | 109 Ų | 109 | 116.8 Ų | 116.8 | 58% | 0.583 | 71% | 0.714 | S | S | * | * | | | trans | 13.6 | 115 | 167.4 | -149.4 | -18.9 | 0 | 0 | 0 | 121 | A924 | D922-A924 PolarHBondContact O-N 2.92Å; D922-A924 WeakPolarHBondContact OD1-CB 3.48Å; D922-A924 PolarHBondContact OD1-N 3.37Å |
| 923 | P | 40.9 | Very low | 34.2 | Very low | 125 Ų | 125 | 117.1 Ų | 117.1 | 81% | 0.812 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -65.1 | -10 | 166.7 | -20.1 | 33.5 | 0 | 0 | 0 | 115.8 | L925 | P923-L925 VanDerWaalsContact C-N 3.25Å; P923-L925 PolarHBondContact O-N 3.24Å |
| 924 | A | 34.5 | Very low | 34.3 | Very low | 77 Ų | 77 | 118.3 Ų | 118.3 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -74.7 | -5.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | D922 | D922-A924 PolarHBondContact O-N 2.92Å; D922-A924 WeakPolarHBondContact OD1-CB 3.48Å; D922-A924 PolarHBondContact OD1-N 3.37Å |
| 925 | L | 39.9 | Very low | 35.3 | Very low | 149 Ų | 149 | 116.8 Ų | 116.8 | 78% | 0.78 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -117.2 | 30.8 | -175.1 | -62.4 | 179 | 0 | 0 | 0 | 113.8 | P923 P927 | P923-L925 VanDerWaalsContact C-N 3.25Å; P923-L925 PolarHBondContact O-N 3.24Å; L925-P927 WeakPolarHBondContact O-CD 3.5Å |
| 926 | D | 35.1 | Very low | 36.6 | Very low | 75 Ų | 75 | 118.1 Ų | 118.1 | 40% | 0.401 | 69% | 0.687 | S | S | . | * | | | trans | -68.6 | 115.9 | 171.1 | 174.6 | 19.2 | 0 | 0 | 0 | 111.3 | S928 S929 | D926-S928 PolarHBondContact O-N 3.42Å; D926-S928 VanDerWaalsContact O-N 3.09Å; D926-S928 WeakPolarHBondContact OD1-CB 3.34Å; D926-S928 PolarHBondContact OD1-N 3.42Å; D926-S928 PolarHBondContact OD1-OG 2.88Å; D926-S928 WeakPolarHBondContact OD2-CB 3.42Å; D926-S928 PolarHBondContact OD2-OG 3.23Å; D926-S929 WeakPolarHBondContact O-CB 3.45Å; D926-S929 PolarHBondContact O-N 3.18Å; D926-S929 VanDerWaalsContact O-N 3.11Å |
| 927 | P | 41.9 | Very low | 37.1 | Very low | 108 Ų | 108 | 121.2 Ų | 121.2 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -63.6 | -15.2 | 178 | 28 | -35.9 | 0 | 0 | 0 | 113.4 | L925 S929 | L925-P927 WeakPolarHBondContact O-CD 3.5Å; P927-S929 PolarHBondContact O-N 3.04Å |
| 928 | S | 39 | Very low | 37.5 | Very low | 81 Ų | 81 | 117.8 Ų | 117.8 | 57% | 0.566 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -71.2 | -9.9 | 175.4 | -34.9 | 0 | 0 | 0 | 0 | 113.6 | D926 | D926-S928 PolarHBondContact O-N 3.42Å; D926-S928 VanDerWaalsContact O-N 3.09Å; D926-S928 WeakPolarHBondContact OD1-CB 3.34Å; D926-S928 PolarHBondContact OD1-N 3.42Å; D926-S928 PolarHBondContact OD1-OG 2.88Å; D926-S928 WeakPolarHBondContact OD2-CB 3.42Å; D926-S928 PolarHBondContact OD2-OG 3.23Å |
| 929 | S | 33.8 | Very low | 38 | Very low | 93 Ų | 93 | 119.8 Ų | 119.8 | 65% | 0.65 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -93.8 | 0.6 | -175.4 | -68 | 0 | 0 | 0 | 0 | 115.1 | D926 P927 | D926-S929 WeakPolarHBondContact O-CB 3.45Å; D926-S929 PolarHBondContact O-N 3.18Å; D926-S929 VanDerWaalsContact O-N 3.11Å; P927-S929 PolarHBondContact O-N 3.04Å |
| 930 | L | 35.6 | Very low | 38 | Very low | 143 Ų | 143 | 114.4 Ų | 114.4 | 75% | 0.749 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 128.7 | 177.4 | -66.6 | 177.5 | 0 | 0 | 0 | 111.4 | | |
| 931 | P | 39.7 | Very low | 37.6 | Very low | 104 Ų | 104 | 117.1 Ų | 117.1 | 68% | 0.675 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 153.4 | 170 | 30 | -34.4 | 0 | 0 | 0 | 110.5 | | |
| 932 | P | 40.7 | Very low | 37.4 | Very low | 108 Ų | 108 | 113.1 Ų | 113.1 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 137.9 | 171.2 | 27.3 | -34.4 | 0 | 0 | 0 | 109.6 | D934 | P932-D934 PolarHBondContact O-N 3.44Š|
| 933 | P | 40 | Very low | 37.5 | Very low | 108 Ų | 108 | 112.8 Ų | 112.8 | 70% | 0.701 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 121.7 | -176.8 | 25.9 | -33.9 | 0 | 0 | 0 | 110.8 | P935 | P933-P935 WeakPolarHBondContact O-CD 3.35Š|
| 934 | D | 31.7 | Very low | 37.1 | Very low | 140 Ų | 140 | 112.7 Ų | 112.7 | 75% | 0.749 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 125.2 | 176.1 | -96.5 | -53.5 | 0 | 0 | 0 | 110.2 | P932 W936 | P932-D934 PolarHBondContact O-N 3.44Å; D934-W936 PolarHBondContact O-N 3.26Å |
| 935 | P | 47.6 | Very low | 36.8 | Very low | 77 Ų | 77 | 112.7 Ų | 112.7 | 50% | 0.5 | 71% | 0.71 | S | S | . | * | S | Bend | trans | -70.3 | 18.5 | -171.5 | -24.5 | 36.2 | 0 | 0 | 0 | 117.2 | P933 | P933-P935 WeakPolarHBondContact O-CD 3.35Š|
| 936 | W | 51.8 | Low | 36.4 | Very low | 141 Ų | 141 | 109.9 Ų | 109.9 | 53% | 0.534 | 72% | 0.717 | S | S | . | * | | | trans | -123.3 | 140.5 | -170.8 | -50 | 114.1 | 0 | 0 | 0 | 111.1 | D934 C958 | D934-W936 PolarHBondContact O-N 3.26Å; W936-C958 HydrophobicContact CH2-CB 3.29Å; W936-C958 VanDerWaalsContact CH2-SG 3.53Å; W936-C958 HydrophobicContact CZ2-CB 4.39Å; W936-C958 HydrophobicContact CZ3-CB 3.44Å; W936-C958 VanDerWaalsContact CZ3-CB 3.44Å; W936-C958 WeakPolarHBondContact CZ3-SG 3.34Å |
| 937 | L | 37.4 | Very low | 36 | Very low | 181 Ų | 181 | 110.2 Ų | 110.2 | 95% | 0.948 | 74% | 0.738 | S | S | * | * | | | trans | 75.6 | 56.2 | -173.2 | -48.9 | -179.5 | 0 | 0 | 0 | 116 | | |
| 938 | D | 31.8 | Very low | 35.7 | Very low | 125 Ų | 125 | 111.9 Ų | 111.9 | 67% | 0.668 | 75% | 0.746 | S | S | * | * | | | trans | -130 | 112.7 | 135.5 | 176.5 | 24.9 | 0 | 0 | 0 | 109 | | |
| 939 | S | 39.8 | Very low | 35.2 | Very low | 130 Ų | 130 | 113.8 Ų | 113.8 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | | | trans | -170 | 80.8 | 177.5 | -77.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 940 | G | 30 | Very low | 35.4 | Very low | 70 Ų | 70 | 118.9 Ų | 118.9 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | | | trans | 133.7 | 122.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 941 | N | 33.9 | Very low | 35.2 | Very low | 160 Ų | 160 | 118 Ų | 118 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | | | cis | -149.4 | 155.1 | 25.8 | -179.2 | 29.3 | 0 | 0 | 0 | 111.8 | | |
| 942 | G | 28.6 | Very low | 34.7 | Very low | 71 Ų | 71 | 116.4 Ų | 116.4 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | | | trans | 173.2 | 74.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 943 | S | 34.1 | Very low | 34.6 | Very low | 103 Ų | 103 | 115.7 Ų | 115.7 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | trans | -62 | 147.5 | 171.7 | -44.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 944 | S | 31.8 | Very low | 34.2 | Very low | 122 Ų | 122 | 114 Ų | 114 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | cis | -164.2 | 160.5 | 47.3 | -52.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 945 | G | 29.2 | Very low | 34.2 | Very low | 77 Ų | 77 | 110.7 Ų | 110.7 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | | | cis | 170.2 | 166.6 | -4.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 946 | G | 30.3 | Very low | 34.1 | Very low | 90 Ų | 90 | 113.9 Ų | 113.9 | 93% | 0.928 | 81% | 0.813 | S | S | * | * | | | trans | 92.5 | 127.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 947 | G | 28.1 | Very low | 33.8 | Very low | 82 Ų | 82 | 114.6 Ų | 114.6 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | | | trans | 129.4 | 108.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 948 | V | 34.6 | Very low | 34.5 | Very low | 144 Ų | 144 | 109.5 Ų | 109.5 | 87% | 0.873 | 81% | 0.805 | S | S | * | * | | | trans | -95.8 | 133.3 | -176.5 | 171.2 | 0 | 0 | 0 | 0 | 112 | | |
| 949 | S | 29.8 | Very low | 36.4 | Very low | 120 Ų | 120 | 113 Ų | 113 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | | | trans | -170.5 | 118.7 | 140.8 | -82.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 950 | Q | 37 | Very low | 38.5 | Very low | 200 Ų | 200 | 113.9 Ų | 113.9 | 94% | 0.935 | 79% | 0.793 | S | S | * | * | | | trans | -100.3 | 144.2 | 166.2 | -68.9 | -173.2 | 10.2 | 0 | 0 | 110.3 | | |
| 951 | S | 31.4 | Very low | 41.2 | Very low | 125 Ų | 125 | 112.3 Ų | 112.3 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | | | trans | -162.1 | 143 | 152.4 | -170.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 952 | G | 28.7 | Very low | 44 | Very low | 70 Ų | 70 | 104.7 Ų | 104.7 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | | | trans | 77.6 | 90.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | G954 | G952-G954 PolarHBondContact O-N 2.77Š|
| 953 | G | 39.7 | Very low | 47.1 | Very low | 93 Ų | 93 | 106.4 Ų | 106.4 | 96% | 0.959 | 72% | 0.716 | S | S | * | * | | | trans | -65.8 | 125.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 954 | G | 30.1 | Very low | 50 | Low | 74 Ų | 74 | 104.3 Ų | 104.3 | 76% | 0.763 | 69% | 0.692 | S | S | * | * | | | trans | -159 | 25.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | G952 | G952-G954 PolarHBondContact O-N 2.77Š|
| 955 | G | 33.7 | Very low | 53 | Low | 70 Ų | 70 | 98.6 Ų | 98.6 | 72% | 0.722 | 65% | 0.652 | S | S | * | * | | | trans | 76.4 | 138.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | L957 | G955-L957 PolarHBondContact O-N 3.11Š|
| 956 | T | 43.9 | Very low | 56.2 | Low | 143 Ų | 143 | 96.6 Ų | 96.6 | 88% | 0.877 | 62% | 0.623 | S | S | * | * | | | trans | -76.2 | 51.7 | 166.6 | 50.6 | 0 | 0 | 0 | 0 | 110.5 | C958 | T956-C958 PolarHBondContact O-N 3.13Š|
| 957 | L | 46.7 | Very low | 59.2 | Low | 156 Ų | 156 | 98.7 Ų | 98.7 | 82% | 0.817 | 61% | 0.606 | S | S | * | * | | | trans | -68.6 | 105.4 | 172.4 | -168.9 | 76.5 | 0 | 0 | 0 | 107.4 | G955 R959 | G955-L957 PolarHBondContact O-N 3.11Å; L957-R959 PolarHBondContact O-N 3.49Å |
| 958 | C | 52.1 | Low | 62.4 | Low | 75 Ų | 75 | 97.5 Ų | 97.5 | 51% | 0.507 | 58% | 0.58 | S | S | . | * | | | trans | -54.6 | 107.6 | -160.6 | -48.5 | 0 | 0 | 0 | 0 | 112.1 | W936 T956 R960 | W936-C958 HydrophobicContact CH2-CB 3.29Å; W936-C958 VanDerWaalsContact CH2-SG 3.53Å; W936-C958 HydrophobicContact CZ2-CB 4.39Å; W936-C958 HydrophobicContact CZ3-CB 3.44Å; W936-C958 VanDerWaalsContact CZ3-CB 3.44Å; W936-C958 WeakPolarHBondContact CZ3-SG 3.34Å; T956-C958 PolarHBondContact O-N 3.13Å; C958-R960 PolarHBondContact O-N 3.28Å |
| 959 | R | 70.9 | Confident | 65.4 | Low | 197 Ų | 197 | 90.9 Ų | 90.9 | 74% | 0.743 | 54% | 0.54 | S | S | * | . | | | trans | -68.4 | 116.3 | -175.2 | -60.4 | -176.3 | 78 | -100.6 | 4.1 | 109.1 | L957 D961 | L957-R959 PolarHBondContact O-N 3.49Å; R959-D961 PolarHBondContact O-N 2.93Å |
| 960 | R | 83.8 | Confident | 68.5 | Low | 150 Ų | 150 | 91.2 Ų | 91.2 | 57% | 0.566 | 53% | 0.528 | S | S | * | . | | | trans | -71.3 | 80.6 | 169.9 | -62.3 | -176.6 | -174.3 | 174 | 1.6 | 109.4 | C958 W964 F965 A1036 | C958-R960 PolarHBondContact O-N 3.28Å; R960-W964 HydrophobicContact CB-CD2 4.15Å; R960-W964 HydrophobicContact CB-CE3 3.78Å; R960-W964 HydrophobicContact CB-CZ3 4.31Å; R960-W964 HydrophobicContact CG-CD2 3.86Å; R960-W964 HydrophobicContact CG-CE3 3.74Å; R960-W964 HydrophobicContact CG-CG 4.45Å; R960-W964 HydrophobicContact CG-CH2 4.34Å; R960-W964 HydrophobicContact CG-CZ2 4.44Å; R960-W964 HydrophobicContact CG-CZ3 4Å; R960-F965 HydrophobicContact CB-CE2 3.87Å; R960-F965 HydrophobicContact CB-CZ 4.25Å; R960-F965 WeakPolarHBondContact O-CE2 3.45Å; R960-A1036 VanDerWaalsContact O-CB 3.28Å; R960-A1036 WeakPolarHBondContact O-CB 3.42Å |
| 961 | D | 87.5 | Confident | 71.3 | Confident | 36 Ų | 36 | 83.7 Ų | 83.7 | 19% | 0.193 | 50% | 0.5 | C | S | . | . | | | trans | -93.9 | -178.4 | 175.8 | 78.3 | -22.9 | 0 | 0 | 0 | 111.2 | R959 H963 W964 F965 | R959-D961 PolarHBondContact O-N 2.93Å; D961-H963 PolarHBondContact O-N 3.08Å; D961-H963 WeakPolarHBondContact OD1-CB 3.41Å; D961-H963 PolarHBondContact OD1-N 2.87Å; D961-H963 VanDerWaalsContact OD1-N 3.1Å; D961-H963 IonicContact OD1-ND1 3.78Å; D961-H963 IonicContact OD2-CE1 2.75Å; D961-H963 IonicContact OD2-CG 2.68Å; D961-H963 IonicContact OD2-ND1 3.15Å; D961-H963 PolarHBondContact OD2-ND1 3.15Å; D961-W964 PolarHBondContact O-N 2.8Å; D961-W964 VanDerWaalsContact O-N 3.15Å; D961-W964 PolarHBondContact OD1-N 3.14Å; D961-F965 VanDerWaalsContact O-CD2 3.27Å; D961-F965 WeakPolarHBondContact O-CD2 3.5Å; D961-F965 PolarHBondContact O-N 3.48Å; D961-F965 VanDerWaalsContact O-N 3.08Å |
| 962 | G | 92.5 | Very high | 74.4 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -56.3 | -29.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L966 N1025 | G962-L966 VanDerWaalsContact O-CB 3.27Å; G962-L966 WeakPolarHBondContact O-CB 3.37Å; G962-L966 WeakPolarHBondContact O-CD1 3.27Å; G962-L966 WeakPolarHBondContact O-CG 3.33Å; G962-L966 PolarHBondContact O-N 3.14Å; G962-N1025 PolarHBondContact N-OD1 3.27Å |
| 963 | H | 93.6 | Very high | 77.6 | Confident | 108 Ų | 108 | 76.8 Ų | 76.8 | 50% | 0.5 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.4 | -44.1 | 176 | -59.5 | 107.8 | 0 | 0 | 0 | 111.4 | D961 L966 K967 L1026 | D961-H963 PolarHBondContact O-N 3.08Å; D961-H963 WeakPolarHBondContact OD1-CB 3.41Å; D961-H963 PolarHBondContact OD1-N 2.87Å; D961-H963 VanDerWaalsContact OD1-N 3.1Å; D961-H963 IonicContact OD1-ND1 3.78Å; D961-H963 IonicContact OD2-CE1 2.75Å; D961-H963 IonicContact OD2-CG 2.68Å; D961-H963 IonicContact OD2-ND1 3.15Å; D961-H963 PolarHBondContact OD2-ND1 3.15Å; H963-L966 PolarHBondContact O-N 3.08Å; H963-K967 PolarHBondContact O-N 3.12Å; H963-L1026 VanDerWaalsContact CE1-CD2 3.44Å; H963-L1026 WeakPolarHBondContact CE1-CD2 3.43Å; H963-L1026 VanDerWaalsContact ND1-CD2 3.33Å; H963-L1026 WeakPolarHBondContact ND1-CD2 3.4Å |
| 964 | W | 94.3 | Very high | 80.3 | Confident | 58 Ų | 58 | 75.2 Ų | 75.2 | 22% | 0.22 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 175.5 | -174 | 82.5 | 0 | 0 | 0 | 111.4 | R960 D961 K967 L968 | R960-W964 HydrophobicContact CB-CD2 4.15Å; R960-W964 HydrophobicContact CB-CE3 3.78Å; R960-W964 HydrophobicContact CB-CZ3 4.31Å; R960-W964 HydrophobicContact CG-CD2 3.86Å; R960-W964 HydrophobicContact CG-CE3 3.74Å; R960-W964 HydrophobicContact CG-CG 4.45Å; R960-W964 HydrophobicContact CG-CH2 4.34Å; R960-W964 HydrophobicContact CG-CZ2 4.44Å; R960-W964 HydrophobicContact CG-CZ3 4Å; D961-W964 PolarHBondContact O-N 2.8Å; D961-W964 VanDerWaalsContact O-N 3.15Å; D961-W964 PolarHBondContact OD1-N 3.14Å; W964-K967 PolarHBondContact O-N 3.04Å; W964-L968 HydrophobicContact CE3-CD2 4.47Å; W964-L968 HydrophobicContact CH2-CD2 3.6Å; W964-L968 HydrophobicContact CZ2-CD2 4.25Å; W964-L968 HydrophobicContact CZ3-CD2 3.72Å; W964-L968 WeakPolarHBondContact O-CB 3.46Å; W964-L968 PolarHBondContact O-N 3Å |
| 965 | F | 95.7 | Very high | 83.4 | Confident | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.009 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.6 | -33.6 | 177.5 | -77.4 | -69.9 | 0 | 0 | 0 | 113.4 | R960 D961 L969 F1018 C1022 L1039 A1040 W1043 | R960-F965 HydrophobicContact CB-CE2 3.87Å; R960-F965 HydrophobicContact CB-CZ 4.25Å; R960-F965 WeakPolarHBondContact O-CE2 3.45Å; D961-F965 VanDerWaalsContact O-CD2 3.27Å; D961-F965 WeakPolarHBondContact O-CD2 3.5Å; D961-F965 PolarHBondContact O-N 3.48Å; D961-F965 VanDerWaalsContact O-N 3.08Å; F965-L969 WeakPolarHBondContact O-CB 3.13Å; F965-L969 PolarHBondContact O-N 2.89Å; F965-F1018 HydrophobicContact CB-CE1 3.82Å; F965-F1018 HydrophobicContact CB-CZ 3.79Å; F965-F1018 HydrophobicContact CD1-CE1 4Å; F965-F1018 AromaticContact CD1-CZ 3.55Å; F965-F1018 HydrophobicContact CD1-CZ 3.55Å; F965-F1018 HydrophobicContact CE1-CZ 4.27Å; F965-F1018 HydrophobicContact CG-CE1 4.24Å; F965-F1018 AromaticContact CG-CZ 3.79Å; F965-F1018 HydrophobicContact CG-CZ 3.79Å; F965-C1022 VanDerWaalsContact CB-SG 3.57Å; F965-L1039 HydrophobicContact CB-CD1 4.41Å; F965-L1039 HydrophobicContact CD2-CB 3.62Å; F965-L1039 HydrophobicContact CD2-CD1 3.59Å; F965-L1039 HydrophobicContact CD2-CG 4.29Å; F965-L1039 HydrophobicContact CE2-CB 3.57Å; F965-L1039 HydrophobicContact CE2-CD1 4.22Å; F965-L1039 HydrophobicContact CG-CB 4.19Å; F965-L1039 HydrophobicContact CG-CD1 4.28Å; F965-L1039 HydrophobicContact CZ-CB 4.08Å; F965-A1040 HydrophobicContact CZ-CB 3.92Å; F965-W1043 HydrophobicContact CD1-CB 4.11Å; F965-W1043 HydrophobicContact CD1-CD2 4.46Å; F965-W1043 HydrophobicContact CD1-CG 4.22Å; F965-W1043 HydrophobicContact CE1-CB 3.7Å; F965-W1043 AromaticContact CE1-CG 3.95Å; F965-W1043 HydrophobicContact CE1-CG 3.95Å |
| 966 | L | 95.2 | Very high | 86.4 | Confident | 35 Ų | 35 | 72.9 Ų | 72.9 | 18% | 0.183 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.4 | -43 | 173.9 | -78.3 | 165.1 | 0 | 0 | 0 | 112.5 | G962 H963 L969 Q970 R1019 C1022 E1023 L1026 | G962-L966 VanDerWaalsContact O-CB 3.27Å; G962-L966 WeakPolarHBondContact O-CB 3.37Å; G962-L966 WeakPolarHBondContact O-CD1 3.27Å; G962-L966 WeakPolarHBondContact O-CG 3.33Å; G962-L966 PolarHBondContact O-N 3.14Å; H963-L966 PolarHBondContact O-N 3.08Å; L966-L969 PolarHBondContact O-N 3.12Å; L966-Q970 WeakPolarHBondContact O-CB 3.48Å; L966-Q970 PolarHBondContact O-N 2.84Å; L966-R1019 HydrophobicContact CD2-CB 4.21Å; L966-R1019 HydrophobicContact CD2-CG 3.88Å; L966-C1022 HydrophobicContact CD1-CB 4.13Å; L966-C1022 HydrophobicContact CD2-CB 3.95Å; L966-C1022 HydrophobicContact CG-CB 3.65Å; L966-E1023 HydrophobicContact CD1-CG 4.49Å; L966-L1026 HydrophobicContact CD1-CD1 3.92Å |
| 967 | K | 95.3 | Very high | 88.9 | Confident | 135 Ų | 135 | 70.2 Ų | 70.2 | 59% | 0.587 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.8 | -45.1 | 174.8 | -74.1 | -172.9 | 176.5 | -171.3 | 0 | 111.2 | H963 W964 Q970 A971 | H963-K967 PolarHBondContact O-N 3.12Å; W964-K967 PolarHBondContact O-N 3.04Å; K967-Q970 PolarHBondContact O-N 3.38Å; K967-A971 PolarHBondContact O-N 2.84Å; K967-A971 VanDerWaalsContact O-N 3.08Å |
| 968 | L | 95.3 | Very high | 91.2 | Very high | 56 Ų | 56 | 64.4 Ų | 64.4 | 29% | 0.293 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.4 | -45 | 178 | -176.1 | 62 | 0 | 0 | 0 | 112.1 | W964 Q970 A971 E972 W1043 | W964-L968 HydrophobicContact CE3-CD2 4.47Å; W964-L968 HydrophobicContact CH2-CD2 3.6Å; W964-L968 HydrophobicContact CZ2-CD2 4.25Å; W964-L968 HydrophobicContact CZ3-CD2 3.72Å; W964-L968 WeakPolarHBondContact O-CB 3.46Å; W964-L968 PolarHBondContact O-N 3Å; L968-Q970 VanDerWaalsContact C-N 3.33Å; L968-Q970 PolarHBondContact O-N 3.19Å; L968-A971 PolarHBondContact O-N 3.29Å; L968-E972 WeakPolarHBondContact O-CB 3.36Å; L968-E972 PolarHBondContact O-N 3.46Å; L968-E972 VanDerWaalsContact O-N 3.08Å; L968-W1043 HydrophobicContact CD1-CZ2 4.32Å; L968-W1043 HydrophobicContact CD2-CD2 4.12Å; L968-W1043 HydrophobicContact CD2-CH2 4.1Å; L968-W1043 HydrophobicContact CD2-CZ2 3.53Å; L968-W1043 HydrophobicContact CG-CH2 3.75Å; L968-W1043 HydrophobicContact CG-CZ2 3.58Å; L968-W1043 HydrophobicContact CG-CZ3 4.4Å |
| 969 | L | 96.4 | Very high | 93.3 | Very high | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.1 | -44.7 | 173.9 | -179.1 | 68.8 | 0 | 0 | 0 | 111.3 | F965 L966 E972 T973 F1015 F1018 R1019 W1043 L1046 | F965-L969 WeakPolarHBondContact O-CB 3.13Å; F965-L969 PolarHBondContact O-N 2.89Å; L966-L969 PolarHBondContact O-N 3.12Å; L969-E972 PolarHBondContact O-N 3.07Å; L969-T973 PolarHBondContact O-N 3.42Å; L969-T973 PolarHBondContact O-OG1 2.92Å; L969-F1015 HydrophobicContact CD1-CB 3.77Å; L969-F1015 HydrophobicContact CD1-CD1 4.24Å; L969-F1015 HydrophobicContact CD1-CD2 3.42Å; L969-F1015 VanDerWaalsContact CD1-CD2 3.42Å; L969-F1015 HydrophobicContact CD1-CE2 3.96Å; L969-F1015 HydrophobicContact CD1-CG 3.55Å; L969-F1015 HydrophobicContact CG-CB 4.5Å; L969-F1015 HydrophobicContact CG-CD2 4.27Å; L969-F1018 HydrophobicContact CB-CD1 4.32Å; L969-F1018 HydrophobicContact CD1-CD1 4Å; L969-F1018 HydrophobicContact CD2-CD1 4.03Å; L969-F1018 HydrophobicContact CG-CD1 4.34Å; L969-R1019 HydrophobicContact CD2-CB 3.87Å; L969-W1043 HydrophobicContact CB-CZ3 4.23Å; L969-W1043 HydrophobicContact CD1-CZ3 4.04Å; L969-L1046 HydrophobicContact CD1-CD2 3.93Å |
| 970 | Q | 95.4 | Very high | 94.5 | Very high | 128 Ų | 128 | 53.9 Ų | 53.9 | 60% | 0.598 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64.2 | -42.7 | -179.1 | -178.6 | 174.5 | -4.3 | 0 | 0 | 112.6 | L966 K967 L968 E972 T973 A974 | L966-Q970 WeakPolarHBondContact O-CB 3.48Å; L966-Q970 PolarHBondContact O-N 2.84Å; K967-Q970 PolarHBondContact O-N 3.38Å; L968-Q970 VanDerWaalsContact C-N 3.33Å; L968-Q970 PolarHBondContact O-N 3.19Å; Q970-E972 VanDerWaalsContact C-N 3.31Å; Q970-E972 PolarHBondContact O-N 3.5Å; Q970-T973 PolarHBondContact O-N 3.05Å; Q970-A974 PolarHBondContact O-N 3.04Å; Q970-A974 VanDerWaalsContact O-N 3.08Å |
| 971 | A | 95.8 | Very high | 95.1 | Very high | 42 Ų | 42 | 53 Ų | 53 | 35% | 0.347 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | K967 L968 A974 R975 | K967-A971 PolarHBondContact O-N 2.84Å; K967-A971 VanDerWaalsContact O-N 3.08Å; L968-A971 PolarHBondContact O-N 3.29Å; A971-A974 PolarHBondContact O-N 3.17Å; A971-R975 WeakPolarHBondContact O-CB 3.45Å; A971-R975 PolarHBondContact O-N 2.78Å |
| 972 | E | 95.3 | Very high | 95.4 | Very high | 21 Ų | 21 | 54.5 Ų | 54.5 | 10% | 0.098 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.5 | -35.1 | 178.7 | -172.2 | 52.6 | -141.6 | 0 | 0 | 113 | L968 L969 Q970 R975 M976 F1015 W1043 I1050 | L968-E972 WeakPolarHBondContact O-CB 3.36Å; L968-E972 PolarHBondContact O-N 3.46Å; L968-E972 VanDerWaalsContact O-N 3.08Å; L969-E972 PolarHBondContact O-N 3.07Å; Q970-E972 VanDerWaalsContact C-N 3.31Å; Q970-E972 PolarHBondContact O-N 3.5Å; E972-R975 PolarHBondContact O-N 3.45Å; E972-R975 IonicContact OE1-CZ 3.6Å; E972-R975 IonicContact OE1-NE 2.72Å; E972-R975 PolarHBondContact OE1-NE 3.34Å; E972-R975 IonicContact OE1-NH2 2.6Å; E972-R975 PolarHBondContact OE1-NH2 2.72Å; E972-R975 IonicContact OE2-CZ 3.8Å; E972-R975 IonicContact OE2-NE 2.69Å; E972-R975 PolarHBondContact OE2-NE 2.8Å; E972-R975 IonicContact OE2-NH2 3.96Å; E972-M976 WeakPolarHBondContact O-CB 3.38Å; E972-M976 PolarHBondContact O-N 3.23Å; E972-M976 VanDerWaalsContact O-N 3.08Å; E972-F1015 HydrophobicContact CB-CE2 4.36Å; E972-F1015 HydrophobicContact CG-CE2 4.07Å; E972-F1015 HydrophobicContact CG-CZ 3.94Å; E972-W1043 HydrophobicContact CB-CH2 4.1Å; E972-W1043 HydrophobicContact CG-CH2 4.25Å; E972-I1050 HydrophobicContact CG-CD1 3.58Å; E972-I1050 HydrophobicContact CG-CG1 4.18Å; E972-I1050 WeakPolarHBondContact OE1-CG2 3.37Å |
| 973 | T | 96.1 | Very high | 95.4 | Very high | 29 Ų | 29 | 54.6 Ų | 54.6 | 18% | 0.178 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.7 | -55.4 | 170.9 | -50.1 | 0 | 0 | 0 | 0 | 110.1 | L969 Q970 R975 M976 E977 M1011 F1015 | L969-T973 PolarHBondContact O-N 3.42Å; L969-T973 PolarHBondContact O-OG1 2.92Å; Q970-T973 PolarHBondContact O-N 3.05Å; T973-R975 VanDerWaalsContact C-N 3.26Å; T973-R975 PolarHBondContact O-N 3.08Å; T973-M976 PolarHBondContact O-N 2.68Å; T973-M976 VanDerWaalsContact O-N 3.14Å; T973-E977 HydrophobicContact CG2-CG 4.13Å; T973-E977 WeakPolarHBondContact O-CB 3.43Å; T973-E977 WeakPolarHBondContact O-CG 3.48Å; T973-E977 PolarHBondContact O-N 2.8Å; T973-M1011 HydrophobicContact CG2-SD 4.01Å; T973-F1015 WeakPolarHBondContact OG1-CD2 3.48Å |
| 974 | A | 96.6 | Very high | 95.4 | Very high | 59 Ų | 59 | 53.4 Ų | 53.4 | 49% | 0.488 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.3 | -38.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q970 A971 G978 | Q970-A974 PolarHBondContact O-N 3.04Å; Q970-A974 VanDerWaalsContact O-N 3.08Å; A971-A974 PolarHBondContact O-N 3.17Å; A974-G978 PolarHBondContact O-N 3.41Å |
| 975 | R | 96.1 | Very high | 95.3 | Very high | 96 Ų | 96 | 54.6 Ų | 54.6 | 36% | 0.362 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 176 | -160 | -176.5 | 74.9 | 68.9 | 8.5 | 112.1 | A971 E972 T973 W979 | A971-R975 WeakPolarHBondContact O-CB 3.45Å; A971-R975 PolarHBondContact O-N 2.78Å; E972-R975 PolarHBondContact O-N 3.45Å; E972-R975 IonicContact OE1-CZ 3.6Å; E972-R975 IonicContact OE1-NE 2.72Å; E972-R975 PolarHBondContact OE1-NE 3.34Å; E972-R975 IonicContact OE1-NH2 2.6Å; E972-R975 PolarHBondContact OE1-NH2 2.72Å; E972-R975 IonicContact OE2-CZ 3.8Å; E972-R975 IonicContact OE2-NE 2.69Å; E972-R975 PolarHBondContact OE2-NE 2.8Å; E972-R975 IonicContact OE2-NH2 3.96Å; T973-R975 VanDerWaalsContact C-N 3.26Å; T973-R975 PolarHBondContact O-N 3.08Å; R975-W979 PolarHBondContact O-N 3.08Å |
| 976 | M | 96 | Very high | 95 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -81.3 | -28.7 | -178.8 | -173.5 | 151.9 | 61.9 | 0 | 0 | 113.2 | E972 T973 C980 A1007 L1010 M1011 F1015 I1053 | E972-M976 WeakPolarHBondContact O-CB 3.38Å; E972-M976 PolarHBondContact O-N 3.23Å; E972-M976 VanDerWaalsContact O-N 3.08Å; T973-M976 PolarHBondContact O-N 2.68Å; T973-M976 VanDerWaalsContact O-N 3.14Å; M976-C980 PolarHBondContact O-N 3.49Å; M976-C980 PolarHBondContact O-SG 3.28Å; M976-A1007 HydrophobicContact CG-CB 3.79Å; M976-A1007 HydrophobicContact SD-CB 3.92Å; M976-L1010 HydrophobicContact CE-CB 4.43Å; M976-L1010 HydrophobicContact CE-CD2 3.98Å; M976-M1011 HydrophobicContact CB-SD 3.89Å; M976-M1011 HydrophobicContact CE-CG 3.59Å; M976-M1011 HydrophobicContact CE-SD 4.04Å; M976-M1011 HydrophobicContact CG-CE 4.17Å; M976-M1011 HydrophobicContact CG-SD 3.99Å; M976-F1015 HydrophobicContact CE-CE1 3.79Å; M976-F1015 HydrophobicContact CE-CE2 3.93Å; M976-F1015 HydrophobicContact CE-CZ 3.32Å; M976-I1053 HydrophobicContact SD-CB 4.39Å; M976-I1053 HydrophobicContact SD-CD1 4.47Å; M976-I1053 HydrophobicContact SD-CG2 3.72Å |
| 977 | E | 96.6 | Very high | 94.6 | Very high | 87 Ų | 87 | 56.2 Ų | 56.2 | 41% | 0.407 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 167.3 | -74.7 | 179.6 | 158.5 | 0 | 0 | 111.2 | T973 W979 C980 Q981 M1011 | T973-E977 HydrophobicContact CG2-CG 4.13Å; T973-E977 WeakPolarHBondContact O-CB 3.43Å; T973-E977 WeakPolarHBondContact O-CG 3.48Å; T973-E977 PolarHBondContact O-N 2.8Å; E977-W979 PolarHBondContact O-N 2.92Å; E977-C980 WeakPolarHBondContact O-CB 3.49Å; E977-C980 PolarHBondContact O-N 3.12Å; E977-C980 VanDerWaalsContact O-N 3.15Å; E977-Q981 WeakPolarHBondContact O-CG 3.38Å; E977-Q981 PolarHBondContact O-N 3.13Å; E977-M1011 HydrophobicContact CG-CE 3.8Å; E977-M1011 HydrophobicContact CG-SD 3.69Å |
| 978 | G | 96.1 | Very high | 94.2 | Very high | 34 Ų | 34 | 55.6 Ų | 55.6 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.5 | -46 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A974 C980 Q981 Q982 | A974-G978 PolarHBondContact O-N 3.41Å; G978-C980 VanDerWaalsContact C-N 3.35Å; G978-C980 PolarHBondContact O-N 3.23Å; G978-Q981 PolarHBondContact O-N 2.99Å; G978-Q982 WeakPolarHBondContact O-CB 3.41Å; G978-Q982 PolarHBondContact O-N 2.82Å |
| 979 | W | 95.3 | Very high | 93.6 | Very high | 44 Ų | 44 | 58.2 Ų | 58.2 | 17% | 0.167 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.3 | -43 | 172 | -75.4 | -12.1 | 0 | 0 | 0 | 113.2 | R975 E977 M983 F1057 | R975-W979 PolarHBondContact O-N 3.08Å; E977-W979 PolarHBondContact O-N 2.92Å; W979-M983 WeakPolarHBondContact O-CB 3.32Å; W979-M983 PolarHBondContact O-N 3.14Å; W979-F1057 HydrophobicContact CB-CD1 3.99Å; W979-F1057 HydrophobicContact CB-CD2 4.21Å; W979-F1057 HydrophobicContact CB-CE1 3.89Å; W979-F1057 HydrophobicContact CB-CE2 4.1Å; W979-F1057 HydrophobicContact CB-CG 4.17Å; W979-F1057 HydrophobicContact CB-CZ 3.94Å; W979-F1057 HydrophobicContact CD2-CB 4.38Å; W979-F1057 HydrophobicContact CD2-CD2 4.19Å; W979-F1057 HydrophobicContact CD2-CG 4.24Å; W979-F1057 HydrophobicContact CE3-CB 4.28Å; W979-F1057 AromaticContact CE3-CD2 3.58Å; W979-F1057 HydrophobicContact CE3-CD2 3.58Å; W979-F1057 HydrophobicContact CE3-CE2 4.14Å; W979-F1057 HydrophobicContact CE3-CG 4.05Å; W979-F1057 HydrophobicContact CG-CG 4.38Å; W979-F1057 HydrophobicContact CZ3-CD2 4.15Å; W979-F1057 WeakPolarHBondContact O-CE1 3.48Å |
| 980 | C | 96.3 | Very high | 92.9 | Very high | 7 Ų | 7 | 60.9 Ų | 60.9 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.4 | -49.4 | 176.5 | -68.6 | 0 | 0 | 0 | 0 | 111.8 | M976 E977 G978 M983 E984 V1004 A1007 | M976-C980 PolarHBondContact O-N 3.49Å; M976-C980 PolarHBondContact O-SG 3.28Å; E977-C980 WeakPolarHBondContact O-CB 3.49Å; E977-C980 PolarHBondContact O-N 3.12Å; E977-C980 VanDerWaalsContact O-N 3.15Å; G978-C980 VanDerWaalsContact C-N 3.35Å; G978-C980 PolarHBondContact O-N 3.23Å; C980-M983 PolarHBondContact O-N 3.42Å; C980-E984 VanDerWaalsContact O-CB 3.27Å; C980-E984 WeakPolarHBondContact O-CB 3.39Å; C980-E984 PolarHBondContact O-N 2.88Å; C980-V1004 HydrophobicContact CB-CG1 4.06Å; C980-A1007 WeakPolarHBondContact SG-CB 3.44Å |
| 981 | Q | 95.5 | Very high | 92.4 | Very high | 130 Ų | 130 | 64.7 Ų | 64.7 | 61% | 0.607 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.2 | -45.6 | -179.8 | -70.2 | 174.2 | 29.3 | 0 | 0 | 111.4 | E977 G978 E984 Q985 | E977-Q981 WeakPolarHBondContact O-CG 3.38Å; E977-Q981 PolarHBondContact O-N 3.13Å; G978-Q981 PolarHBondContact O-N 2.99Å; Q981-E984 PolarHBondContact O-N 3.38Å; Q981-Q985 VanDerWaalsContact O-CB 3.27Å; Q981-Q985 WeakPolarHBondContact O-CB 3.32Å; Q981-Q985 PolarHBondContact O-N 2.87Å |
| 982 | Q | 94.1 | Very high | 92 | Very high | 69 Ų | 69 | 64 Ų | 64 | 32% | 0.322 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.9 | -50 | 178.5 | -169.8 | 176.3 | 37.1 | 0 | 0 | 111.1 | G978 E984 Q985 E986 Y1061 | G978-Q982 WeakPolarHBondContact O-CB 3.41Å; G978-Q982 PolarHBondContact O-N 2.82Å; Q982-E984 PolarHBondContact O-N 2.94Å; Q982-Q985 PolarHBondContact O-N 2.78Å; Q982-Q985 VanDerWaalsContact O-N 3.14Å; Q982-E986 WeakPolarHBondContact O-CG 3.38Å; Q982-E986 PolarHBondContact O-N 2.86Å; Q982-Y1061 PolarHBondContact OE1-OH 2.78Å |
| 983 | M | 93.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.5 | -30.6 | -176.9 | -157.5 | 63.1 | 62.6 | 0 | 0 | 113.1 | W979 C980 T987 V1000 V1004 F1057 L1060 Y1061 W1068 | W979-M983 WeakPolarHBondContact O-CB 3.32Å; W979-M983 PolarHBondContact O-N 3.14Å; C980-M983 PolarHBondContact O-N 3.42Å; M983-T987 PolarHBondContact O-N 2.88Å; M983-T987 PolarHBondContact O-OG1 3.22Å; M983-V1000 HydrophobicContact CB-CG1 4.38Å; M983-V1000 HydrophobicContact CG-CB 4.25Å; M983-V1000 HydrophobicContact CG-CG1 3.65Å; M983-V1000 HydrophobicContact CG-CG2 3.78Å; M983-V1000 HydrophobicContact SD-CG2 4.15Å; M983-V1004 HydrophobicContact CB-CG2 4.11Å; M983-V1004 HydrophobicContact CG-CG2 4.48Å; M983-F1057 HydrophobicContact CB-CD1 4.4Å; M983-F1057 HydrophobicContact CB-CE1 3.94Å; M983-F1057 HydrophobicContact CE-CD1 4.09Å; M983-F1057 HydrophobicContact CG-CE1 4.35Å; M983-L1060 HydrophobicContact CE-CB 3.59Å; M983-L1060 HydrophobicContact CG-CD1 4.07Å; M983-L1060 HydrophobicContact SD-CB 3.81Å; M983-L1060 HydrophobicContact SD-CD1 4.33Å; M983-Y1061 HydrophobicContact CE-CD1 4.09Å; M983-Y1061 HydrophobicContact CE-CE1 3.97Å; M983-Y1061 HydrophobicContact CE-CE2 4.4Å; M983-Y1061 HydrophobicContact CE-CG 4.36Å; M983-W1068 HydrophobicContact SD-CH2 3.73Å; M983-W1068 HydrophobicContact SD-CZ3 4.21Å |
| 984 | E | 93.3 | Very high | 91.2 | Very high | 84 Ų | 84 | 72.8 Ų | 72.8 | 39% | 0.393 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -73.3 | -29.8 | 171.1 | -159.9 | -165.8 | -111.6 | 0 | 0 | 112.1 | C980 Q981 Q982 T987 K988 | C980-E984 VanDerWaalsContact O-CB 3.27Å; C980-E984 WeakPolarHBondContact O-CB 3.39Å; C980-E984 PolarHBondContact O-N 2.88Å; Q981-E984 PolarHBondContact O-N 3.38Å; Q982-E984 PolarHBondContact O-N 2.94Å; E984-T987 WeakPolarHBondContact O-CB 3.39Å; E984-T987 PolarHBondContact O-N 3.28Å; E984-K988 WeakPolarHBondContact O-CE 3.37Å; E984-K988 WeakPolarHBondContact O-CG 3.25Å; E984-K988 PolarHBondContact O-N 3.26Å; E984-K988 WeakPolarHBondContact OE2-CE 3.3Å; E984-K988 IonicContact OE2-NZ 2.78Å; E984-K988 PolarHBondContact OE2-NZ 2.92Å |
| 985 | Q | 91.9 | Very high | 90.9 | Very high | 82 Ų | 82 | 75 Ų | 75 | 38% | 0.383 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -71.8 | -44.9 | 174.1 | -171.4 | 56.8 | 34.8 | 0 | 0 | 111.7 | Q981 Q982 T987 K988 D989 | Q981-Q985 VanDerWaalsContact O-CB 3.27Å; Q981-Q985 WeakPolarHBondContact O-CB 3.32Å; Q981-Q985 PolarHBondContact O-N 2.87Å; Q982-Q985 PolarHBondContact O-N 2.78Å; Q982-Q985 VanDerWaalsContact O-N 3.14Å; Q985-T987 PolarHBondContact O-N 2.96Å; Q985-T987 VanDerWaalsContact O-N 3.08Å; Q985-K988 WeakPolarHBondContact O-CB 3.42Å; Q985-K988 PolarHBondContact O-N 3.47Å; Q985-D989 WeakPolarHBondContact CG-OD2 3.32Å; Q985-D989 PolarHBondContact NE2-OD1 2.91Å; Q985-D989 PolarHBondContact NE2-OD2 2.95Å; Q985-D989 PolarHBondContact O-N 3.26Å |
| 986 | E | 88.6 | Confident | 90.6 | Very high | 33 Ų | 33 | 70.4 Ų | 70.4 | 15% | 0.154 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -54.4 | -30 | 171 | -66.6 | -63.8 | 149.1 | 0 | 0 | 112.8 | Q982 N990 K1064 W1068 | Q982-E986 WeakPolarHBondContact O-CG 3.38Å; Q982-E986 PolarHBondContact O-N 2.86Å; E986-N990 VanDerWaalsContact O-CB 3.28Å; E986-N990 WeakPolarHBondContact O-CB 3.42Å; E986-N990 PolarHBondContact O-N 2.88Å; E986-N990 PolarHBondContact O-ND2 3.48Å; E986-N990 PolarHBondContact OE2-ND2 3.46Å; E986-K1064 VanDerWaalsContact CD-CE 3.47Å; E986-K1064 VanDerWaalsContact CD-NZ 3.29Å; E986-K1064 HydrophobicContact CG-CD 4.27Å; E986-K1064 VanDerWaalsContact OE1-CE 3.31Å; E986-K1064 WeakPolarHBondContact OE1-CE 3.26Å; E986-K1064 IonicContact OE1-NZ 2.62Å; E986-K1064 PolarHBondContact OE1-NZ 3.46Å; E986-K1064 VanDerWaalsContact OE2-CE 3.3Å; E986-K1064 WeakPolarHBondContact OE2-CE 3.25Å; E986-K1064 IonicContact OE2-NZ 3.59Å; E986-W1068 HydrophobicContact CB-CH2 3.97Å; E986-W1068 HydrophobicContact CB-CZ2 3.63Å; E986-W1068 HydrophobicContact CG-CH2 4.21Å; E986-W1068 HydrophobicContact CG-CZ2 3.85Å; E986-W1068 WeakPolarHBondContact OE2-CZ2 3.49Å |
| 987 | T | 88.1 | Confident | 90.4 | Very high | 38 Ų | 38 | 72 Ų | 72 | 23% | 0.233 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -77 | -21.2 | 177.1 | -63.1 | 0 | 0 | 0 | 0 | 113.6 | M983 E984 Q985 L992 L997 V1000 | M983-T987 PolarHBondContact O-N 2.88Å; M983-T987 PolarHBondContact O-OG1 3.22Å; E984-T987 WeakPolarHBondContact O-CB 3.39Å; E984-T987 PolarHBondContact O-N 3.28Å; Q985-T987 PolarHBondContact O-N 2.96Å; Q985-T987 VanDerWaalsContact O-N 3.08Å; T987-L992 HydrophobicContact CG2-CD1 4.47Å; T987-L992 WeakPolarHBondContact OG1-CD1 3.27Å; T987-L997 HydrophobicContact CG2-CD1 3.39Å; T987-V1000 WeakPolarHBondContact OG1-CG1 3.47Å |
| 988 | K | 86.6 | Confident | 90.2 | Very high | 122 Ų | 122 | 69.7 Ų | 69.7 | 53% | 0.53 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -87.2 | -38.3 | 174.8 | -65.5 | 159.1 | -162.7 | 157.8 | 0 | 110.9 | E984 Q985 | E984-K988 WeakPolarHBondContact O-CE 3.37Å; E984-K988 WeakPolarHBondContact O-CG 3.25Å; E984-K988 PolarHBondContact O-N 3.26Å; E984-K988 WeakPolarHBondContact OE2-CE 3.3Å; E984-K988 IonicContact OE2-NZ 2.78Å; E984-K988 PolarHBondContact OE2-NZ 2.92Å; Q985-K988 WeakPolarHBondContact O-CB 3.42Å; Q985-K988 PolarHBondContact O-N 3.47Å |
| 989 | D | 82.9 | Confident | 90.1 | Very high | 111 Ų | 111 | 71 Ų | 71 | 59% | 0.594 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -86.3 | -31.7 | -174 | -60.9 | -27.5 | 0 | 0 | 0 | 113.1 | Q985 | Q985-D989 WeakPolarHBondContact CG-OD2 3.32Å; Q985-D989 PolarHBondContact NE2-OD1 2.91Å; Q985-D989 PolarHBondContact NE2-OD2 2.95Å; Q985-D989 PolarHBondContact O-N 3.26Å |
| 990 | N | 82.2 | Confident | 90.1 | Very high | 61 Ų | 61 | 69.1 Ų | 69.1 | 33% | 0.326 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -106.5 | 141.4 | 177.9 | -55.6 | -74.6 | 0 | 0 | 0 | 112.3 | E986 L992 W1068 | E986-N990 VanDerWaalsContact O-CB 3.28Å; E986-N990 WeakPolarHBondContact O-CB 3.42Å; E986-N990 PolarHBondContact O-N 2.88Å; E986-N990 PolarHBondContact O-ND2 3.48Å; E986-N990 PolarHBondContact OE2-ND2 3.46Å; N990-L992 VanDerWaalsContact C-N 3.31Å; N990-L992 HydrophobicContact CB-CD2 3.74Å; N990-L992 HydrophobicContact CB-CG 4.34Å; N990-L992 PolarHBondContact O-N 3.38Å; N990-W1068 PolarHBondContact ND2-NE1 3.31Å |
| 991 | Q | 83.9 | Confident | 90 | Very high | 209 Ų | 209 | 76.9 Ų | 76.9 | 98% | 0.977 | 38% | 0.377 | S | S | * | . | | | trans | -77.6 | 80.2 | 168.8 | -75.1 | 174.5 | 78.8 | 0 | 0 | 110.5 | | |
| 992 | L | 86.9 | Confident | 90.1 | Very high | 26 Ų | 26 | 74.3 Ų | 74.3 | 14% | 0.136 | 37% | 0.373 | C | S | . | . | | | trans | -68.5 | 144.8 | 179.5 | -55.8 | -174.7 | 0 | 0 | 0 | 112.4 | T987 N990 V996 V1000 W1068 | T987-L992 HydrophobicContact CG2-CD1 4.47Å; T987-L992 WeakPolarHBondContact OG1-CD1 3.27Å; N990-L992 VanDerWaalsContact C-N 3.31Å; N990-L992 HydrophobicContact CB-CD2 3.74Å; N990-L992 HydrophobicContact CB-CG 4.34Å; N990-L992 PolarHBondContact O-N 3.38Å; L992-V996 HydrophobicContact CB-CG1 4.38Å; L992-V996 HydrophobicContact CD1-CG1 4.24Å; L992-V996 HydrophobicContact CD2-CG1 4.43Å; L992-V1000 HydrophobicContact CD1-CG2 4.2Å; L992-W1068 HydrophobicContact CD2-CB 3.99Å; L992-W1068 HydrophobicContact CD2-CD2 3.34Å; L992-W1068 HydrophobicContact CD2-CE3 3.86Å; L992-W1068 HydrophobicContact CD2-CG 3.4Å; L992-W1068 HydrophobicContact CD2-CZ2 4.22Å; L992-W1068 HydrophobicContact CD2-CZ3 4.45Å |
| 993 | S | 86.2 | Confident | 90.2 | Very high | 65 Ų | 65 | 71.1 Ų | 71.1 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | | | trans | -62.4 | 148.5 | 169.4 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | E995 V996 L997 | S993-E995 VanDerWaalsContact C-N 3.25Å; S993-E995 PolarHBondContact O-N 3.25Å; S993-V996 PolarHBondContact O-N 3.05Å; S993-L997 WeakPolarHBondContact O-CB 3.45Å; S993-L997 PolarHBondContact O-N 2.86Å |
| 994 | E | 89 | Confident | 90.4 | Very high | 171 Ų | 171 | 71.5 Ų | 71.5 | 80% | 0.799 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -55.8 | -36.5 | -178.2 | -172.5 | 176.9 | -171.2 | 0 | 0 | 113.1 | G998 | E994-G998 PolarHBondContact O-N 3.33Å |
| 995 | E | 89.5 | Confident | 90.5 | Very high | 104 Ų | 104 | 69 Ų | 69 | 49% | 0.486 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 174.7 | -169.8 | -162.9 | 146 | 0 | 0 | 111.6 | S993 G998 K999 | S993-E995 VanDerWaalsContact C-N 3.25Å; S993-E995 PolarHBondContact O-N 3.25Å; E995-G998 PolarHBondContact O-N 3.11Å; E995-K999 WeakPolarHBondContact O-CG 3.22Å; E995-K999 PolarHBondContact O-N 3.3Å; E995-K999 WeakPolarHBondContact OE1-CE 3.48Å; E995-K999 IonicContact OE1-NZ 2.8Å; E995-K999 PolarHBondContact OE1-NZ 3.39Å |
| 996 | V | 90.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.7 | -44.5 | -180 | 178.2 | 0 | 0 | 0 | 0 | 110 | L992 S993 G998 K999 V1000 W1068 | L992-V996 HydrophobicContact CB-CG1 4.38Å; L992-V996 HydrophobicContact CD1-CG1 4.24Å; L992-V996 HydrophobicContact CD2-CG1 4.43Å; S993-V996 PolarHBondContact O-N 3.05Å; V996-G998 VanDerWaalsContact C-N 3.27Å; V996-G998 PolarHBondContact O-N 2.88Å; V996-K999 WeakPolarHBondContact O-CB 3.43Å; V996-K999 PolarHBondContact O-N 2.98Å; V996-K999 VanDerWaalsContact O-N 3.12Å; V996-V1000 WeakPolarHBondContact O-CG2 3.44Å; V996-V1000 PolarHBondContact O-N 3.17Å; V996-W1068 HydrophobicContact CG1-CD2 4.48Å; V996-W1068 HydrophobicContact CG1-CE3 3.57Å; V996-W1068 HydrophobicContact CG1-CZ3 4.04Å |
| 997 | L | 91.3 | Very high | 91.2 | Very high | 34 Ų | 34 | 65 Ų | 65 | 18% | 0.178 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.9 | -38.2 | 173.5 | -179.9 | 59 | 0 | 0 | 0 | 112 | T987 S993 R1001 | T987-L997 HydrophobicContact CG2-CD1 3.39Å; S993-L997 WeakPolarHBondContact O-CB 3.45Å; S993-L997 PolarHBondContact O-N 2.86Å; L997-R1001 HydrophobicContact CD1-CG 4.4Å; L997-R1001 WeakPolarHBondContact O-CB 3.33Å; L997-R1001 VanDerWaalsContact O-CG 3.25Å; L997-R1001 WeakPolarHBondContact O-CG 3.14Å; L997-R1001 PolarHBondContact O-N 3.15Å |
| 998 | G | 93.8 | Very high | 91.6 | Very high | 38 Ų | 38 | 67.7 Ų | 67.7 | 39% | 0.392 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E994 E995 V996 R1001 S1002 | E994-G998 PolarHBondContact O-N 3.33Å; E995-G998 PolarHBondContact O-N 3.11Å; V996-G998 VanDerWaalsContact C-N 3.27Å; V996-G998 PolarHBondContact O-N 2.88Å; G998-R1001 PolarHBondContact O-N 3.14Å; G998-S1002 VanDerWaalsContact O-CB 3.32Å; G998-S1002 WeakPolarHBondContact O-CB 3.24Å; G998-S1002 PolarHBondContact O-N 2.78Å |
| 999 | K | 93.9 | Very high | 92.1 | Very high | 62 Ų | 62 | 66.3 Ų | 66.3 | 27% | 0.27 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 174.9 | -68.7 | -179.6 | -176.4 | -175.5 | 0 | 112.1 | E995 V996 S1002 A1003 E1059 L1060 L1063 | E995-K999 WeakPolarHBondContact O-CG 3.22Å; E995-K999 PolarHBondContact O-N 3.3Å; E995-K999 WeakPolarHBondContact OE1-CE 3.48Å; E995-K999 IonicContact OE1-NZ 2.8Å; E995-K999 PolarHBondContact OE1-NZ 3.39Å; V996-K999 WeakPolarHBondContact O-CB 3.43Å; V996-K999 PolarHBondContact O-N 2.98Å; V996-K999 VanDerWaalsContact O-N 3.12Å; K999-S1002 PolarHBondContact O-N 3.1Å; K999-A1003 WeakPolarHBondContact O-CB 3.27Å; K999-A1003 PolarHBondContact O-N 3.08Å; K999-E1059 WeakPolarHBondContact CE-OE1 3.35Å; K999-E1059 IonicContact NZ-OE1 3.65Å; K999-E1059 PolarHBondContact NZ-OE1 2.91Å; K999-L1060 HydrophobicContact CB-CD2 3.76Å; K999-L1063 HydrophobicContact CD-CD1 3.94Å |
| 1000 | V | 94.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.03 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.4 | -53.3 | 175.1 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | M983 T987 L992 V996 S1002 A1003 V1004 L1060 | M983-V1000 HydrophobicContact CB-CG1 4.38Å; M983-V1000 HydrophobicContact CG-CB 4.25Å; M983-V1000 HydrophobicContact CG-CG1 3.65Å; M983-V1000 HydrophobicContact CG-CG2 3.78Å; M983-V1000 HydrophobicContact SD-CG2 4.15Å; T987-V1000 WeakPolarHBondContact OG1-CG1 3.47Å; L992-V1000 HydrophobicContact CD1-CG2 4.2Å; V996-V1000 WeakPolarHBondContact O-CG2 3.44Å; V996-V1000 PolarHBondContact O-N 3.17Å; V1000-S1002 PolarHBondContact O-N 3.02Å; V1000-A1003 PolarHBondContact O-N 2.88Å; V1000-V1004 HydrophobicContact CG1-CG2 4.01Å; V1000-V1004 WeakPolarHBondContact O-CB 3.46Å; V1000-V1004 WeakPolarHBondContact O-CG2 3.18Å; V1000-V1004 PolarHBondContact O-N 2.9Å; V1000-L1060 HydrophobicContact CG2-CD1 4.15Å; V1000-L1060 HydrophobicContact CG2-CD2 3.63Å; V1000-L1060 HydrophobicContact CG2-CG 4.49Å |
| 1001 | R | 94.6 | Very high | 93.5 | Very high | 170 Ų | 170 | 59.9 Ų | 59.9 | 64% | 0.642 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59.6 | -35.2 | 178.7 | -73.2 | 170.3 | 175.3 | 172.7 | -1 | 112.2 | L997 G998 G1005 | L997-R1001 HydrophobicContact CD1-CG 4.4Å; L997-R1001 WeakPolarHBondContact O-CB 3.33Å; L997-R1001 VanDerWaalsContact O-CG 3.25Å; L997-R1001 WeakPolarHBondContact O-CG 3.14Å; L997-R1001 PolarHBondContact O-N 3.15Å; G998-R1001 PolarHBondContact O-N 3.14Å; R1001-G1005 WeakPolarHBondContact O-CA 3.4Å; R1001-G1005 PolarHBondContact O-N 3.14Å |
| 1002 | S | 96.3 | Very high | 94 | Very high | 76 Ų | 76 | 52.7 Ų | 52.7 | 53% | 0.531 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.6 | -47.3 | 175.5 | -170.9 | 0 | 0 | 0 | 0 | 112.3 | G998 K999 V1000 S1006 | G998-S1002 VanDerWaalsContact O-CB 3.32Å; G998-S1002 WeakPolarHBondContact O-CB 3.24Å; G998-S1002 PolarHBondContact O-N 2.78Å; K999-S1002 PolarHBondContact O-N 3.1Å; V1000-S1002 PolarHBondContact O-N 3.02Å; S1002-S1006 VanDerWaalsContact O-CB 3.28Å; S1002-S1006 WeakPolarHBondContact O-CB 3.4Å; S1002-S1006 PolarHBondContact O-N 3.2Å; S1002-S1006 PolarHBondContact O-OG 2.86Å |
| 1003 | A | 96.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.3 | -56.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | K999 V1000 G1005 S1006 A1007 K1056 F1057 L1060 | K999-A1003 WeakPolarHBondContact O-CB 3.27Å; K999-A1003 PolarHBondContact O-N 3.08Å; V1000-A1003 PolarHBondContact O-N 2.88Å; A1003-G1005 PolarHBondContact O-N 3.44Å; A1003-S1006 PolarHBondContact O-N 2.87Å; A1003-S1006 VanDerWaalsContact O-N 3.14Å; A1003-S1006 PolarHBondContact O-OG 3.48Å; A1003-A1007 WeakPolarHBondContact O-CB 3.28Å; A1003-A1007 PolarHBondContact O-N 3.17Å; A1003-K1056 HydrophobicContact CB-CB 3.91Å; A1003-F1057 HydrophobicContact CB-CE1 4.48Å; A1003-F1057 HydrophobicContact CB-CZ 4.42Å; A1003-L1060 HydrophobicContact CB-CD1 3.49Å; A1003-L1060 VanDerWaalsContact CB-CD1 3.49Å |
| 1004 | V | 96.8 | Very high | 94.9 | Very high | 9 Ų | 9 | 57.1 Ų | 57.1 | 6% | 0.055 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 179.4 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | C980 M983 V1000 S1006 A1007 Q1008 F1057 | C980-V1004 HydrophobicContact CB-CG1 4.06Å; M983-V1004 HydrophobicContact CB-CG2 4.11Å; M983-V1004 HydrophobicContact CG-CG2 4.48Å; V1000-V1004 HydrophobicContact CG1-CG2 4.01Å; V1000-V1004 WeakPolarHBondContact O-CB 3.46Å; V1000-V1004 WeakPolarHBondContact O-CG2 3.18Å; V1000-V1004 PolarHBondContact O-N 2.9Å; V1004-S1006 PolarHBondContact O-N 3.33Å; V1004-A1007 PolarHBondContact O-N 3.29Å; V1004-Q1008 HydrophobicContact CG1-CG 4.3Å; V1004-Q1008 WeakPolarHBondContact O-CB 3.32Å; V1004-Q1008 VanDerWaalsContact O-CG 3.32Å; V1004-Q1008 WeakPolarHBondContact O-CG 3.4Å; V1004-Q1008 PolarHBondContact O-N 3.49Å; V1004-F1057 HydrophobicContact CG2-CE1 4.12Å; V1004-F1057 HydrophobicContact CG2-CZ 4.19Å |
| 1005 | G | 96.6 | Very high | 95.2 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 34% | 0.34 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1001 A1003 L1009 | R1001-G1005 WeakPolarHBondContact O-CA 3.4Å; R1001-G1005 PolarHBondContact O-N 3.14Å; A1003-G1005 PolarHBondContact O-N 3.44Å; G1005-L1009 VanDerWaalsContact O-CB 3.23Å; G1005-L1009 WeakPolarHBondContact O-CB 3.4Å; G1005-L1009 PolarHBondContact O-N 2.92Å |
| 1006 | S | 96.6 | Very high | 95.5 | Very high | 30 Ų | 30 | 50.9 Ų | 50.9 | 21% | 0.21 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.2 | -36.9 | 176.5 | 72.1 | 0 | 0 | 0 | 0 | 112.8 | S1002 A1003 V1004 L1009 L1010 | S1002-S1006 VanDerWaalsContact O-CB 3.28Å; S1002-S1006 WeakPolarHBondContact O-CB 3.4Å; S1002-S1006 PolarHBondContact O-N 3.2Å; S1002-S1006 PolarHBondContact O-OG 2.86Å; A1003-S1006 PolarHBondContact O-N 2.87Å; A1003-S1006 VanDerWaalsContact O-N 3.14Å; A1003-S1006 PolarHBondContact O-OG 3.48Å; V1004-S1006 PolarHBondContact O-N 3.33Å; S1006-L1009 PolarHBondContact O-N 2.6Å; S1006-L1010 WeakPolarHBondContact O-CB 3.45Å; S1006-L1010 PolarHBondContact O-N 3.33Å |
| 1007 | A | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67 | -50.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M976 C980 A1003 V1004 L1009 L1010 M1011 I1053 F1057 | M976-A1007 HydrophobicContact CG-CB 3.79Å; M976-A1007 HydrophobicContact SD-CB 3.92Å; C980-A1007 WeakPolarHBondContact SG-CB 3.44Å; A1003-A1007 WeakPolarHBondContact O-CB 3.28Å; A1003-A1007 PolarHBondContact O-N 3.17Å; V1004-A1007 PolarHBondContact O-N 3.29Å; A1007-L1009 VanDerWaalsContact C-N 3.27Å; A1007-L1009 PolarHBondContact O-N 3.2Å; A1007-L1010 PolarHBondContact O-N 3.25Å; A1007-L1010 VanDerWaalsContact O-N 3.12Å; A1007-M1011 WeakPolarHBondContact O-CG 3.23Å; A1007-M1011 PolarHBondContact O-N 3.01Å; A1007-I1053 HydrophobicContact CB-CG2 3.87Å; A1007-F1057 HydrophobicContact CB-CE2 3.94Å; A1007-F1057 HydrophobicContact CB-CZ 4.22Å |
| 1008 | Q | 96.9 | Very high | 96 | Very high | 94 Ų | 94 | 53.8 Ų | 53.8 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.2 | -37.7 | 174.6 | -71.2 | 174.5 | -7 | 0 | 0 | 111.7 | V1004 S1012 | V1004-Q1008 HydrophobicContact CG1-CG 4.3Å; V1004-Q1008 WeakPolarHBondContact O-CB 3.32Å; V1004-Q1008 VanDerWaalsContact O-CG 3.32Å; V1004-Q1008 WeakPolarHBondContact O-CG 3.4Å; V1004-Q1008 PolarHBondContact O-N 3.49Å; Q1008-S1012 VanDerWaalsContact O-CB 3.27Å; Q1008-S1012 WeakPolarHBondContact O-CB 3.05Å; Q1008-S1012 PolarHBondContact O-N 2.99Å; Q1008-S1012 PolarHBondContact O-OG 2.93Å |
| 1009 | L | 97.1 | Very high | 96.1 | Very high | 94 Ų | 94 | 58 Ų | 58 | 49% | 0.492 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.5 | -40 | 174.8 | -164.5 | 70.3 | 0 | 0 | 0 | 112.1 | G1005 S1006 A1007 S1012 Q1013 | G1005-L1009 VanDerWaalsContact O-CB 3.23Å; G1005-L1009 WeakPolarHBondContact O-CB 3.4Å; G1005-L1009 PolarHBondContact O-N 2.92Å; S1006-L1009 PolarHBondContact O-N 2.6Å; A1007-L1009 VanDerWaalsContact C-N 3.27Å; A1007-L1009 PolarHBondContact O-N 3.2Å; L1009-S1012 WeakPolarHBondContact CA-OG 3.44Å; L1009-S1012 PolarHBondContact O-OG 2.83Å; L1009-Q1013 HydrophobicContact CD1-CG 4.25Å; L1009-Q1013 VanDerWaalsContact CD1-NE2 3.34Å; L1009-Q1013 VanDerWaalsContact O-CB 3.32Å; L1009-Q1013 WeakPolarHBondContact O-CB 3.38Å; L1009-Q1013 WeakPolarHBondContact O-CG 3.32Å; L1009-Q1013 PolarHBondContact O-N 2.89Å |
| 1010 | L | 96.9 | Very high | 96.1 | Very high | 17 Ų | 17 | 55.9 Ų | 55.9 | 9% | 0.089 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -66.1 | -41.2 | 177.2 | -166.2 | 70.1 | 0 | 0 | 0 | 111.5 | M976 S1006 A1007 K1014 F1015 L1046 S1049 I1050 I1053 | M976-L1010 HydrophobicContact CE-CB 4.43Å; M976-L1010 HydrophobicContact CE-CD2 3.98Å; S1006-L1010 WeakPolarHBondContact O-CB 3.45Å; S1006-L1010 PolarHBondContact O-N 3.33Å; A1007-L1010 PolarHBondContact O-N 3.25Å; A1007-L1010 VanDerWaalsContact O-N 3.12Å; L1010-K1014 HydrophobicContact CD1-CB 3.64Å; L1010-K1014 HydrophobicContact CD1-CG 3.58Å; L1010-K1014 HydrophobicContact CG-CB 4.23Å; L1010-K1014 WeakPolarHBondContact O-CA 3.27Å; L1010-K1014 WeakPolarHBondContact O-CB 3.34Å; L1010-K1014 PolarHBondContact O-N 3.45Å; L1010-F1015 HydrophobicContact CD2-CE1 3.78Å; L1010-F1015 HydrophobicContact CG-CD1 4.11Å; L1010-F1015 HydrophobicContact CG-CE1 3.81Å; L1010-F1015 WeakPolarHBondContact O-CD1 3.25Å; L1010-F1015 PolarHBondContact O-N 2.93Å; L1010-L1046 HydrophobicContact CD1-CD1 4.31Å; L1010-L1046 HydrophobicContact CG-CD1 4.45Å; L1010-S1049 WeakPolarHBondContact CD1-OG 3.47Å; L1010-S1049 WeakPolarHBondContact CD2-OG 3.49Å; L1010-I1050 HydrophobicContact CD2-CG1 4.14Å; L1010-I1053 HydrophobicContact CB-CD1 3.88Å; L1010-I1053 HydrophobicContact CD2-CD1 3.68Å; L1010-I1053 HydrophobicContact CG-CD1 4.33Å |
| 1011 | M | 96.9 | Very high | 96.1 | Very high | 20 Ų | 20 | 57.9 Ų | 57.9 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -69.9 | -48.1 | 177.4 | -63.9 | -175.7 | -67.2 | 0 | 0 | 112 | T973 M976 E977 A1007 Q1013 F1015 Q1016 | T973-M1011 HydrophobicContact CG2-SD 4.01Å; M976-M1011 HydrophobicContact CB-SD 3.89Å; M976-M1011 HydrophobicContact CE-CG 3.59Å; M976-M1011 HydrophobicContact CE-SD 4.04Å; M976-M1011 HydrophobicContact CG-CE 4.17Å; M976-M1011 HydrophobicContact CG-SD 3.99Å; E977-M1011 HydrophobicContact CG-CE 3.8Å; E977-M1011 HydrophobicContact CG-SD 3.69Å; A1007-M1011 WeakPolarHBondContact O-CG 3.23Å; A1007-M1011 PolarHBondContact O-N 3.01Å; M1011-Q1013 VanDerWaalsContact C-N 3.32Å; M1011-Q1013 PolarHBondContact O-N 3.36Å; M1011-F1015 HydrophobicContact CB-CD2 4.49Å; M1011-F1015 HydrophobicContact CB-CG 4.46Å; M1011-F1015 HydrophobicContact CG-CD2 3.97Å; M1011-F1015 HydrophobicContact CG-CE2 4.09Å; M1011-F1015 HydrophobicContact CG-CG 4.26Å; M1011-F1015 HydrophobicContact CG-CZ 4.47Å; M1011-F1015 WeakPolarHBondContact O-CB 3.31Å; M1011-Q1016 PolarHBondContact O-N 3.32Å |
| 1012 | S | 95.6 | Very high | 96.1 | Very high | 58 Ų | 58 | 49.8 Ų | 49.8 | 41% | 0.406 | 26% | 0.263 | S | S | . | . | I | π-helix | trans | -66.1 | -29.2 | 179.1 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | Q1008 L1009 Q1016 | Q1008-S1012 VanDerWaalsContact O-CB 3.27Å; Q1008-S1012 WeakPolarHBondContact O-CB 3.05Å; Q1008-S1012 PolarHBondContact O-N 2.99Å; Q1008-S1012 PolarHBondContact O-OG 2.93Å; L1009-S1012 WeakPolarHBondContact CA-OG 3.44Å; L1009-S1012 PolarHBondContact O-OG 2.83Å; S1012-Q1016 WeakPolarHBondContact O-CG 3.18Å; S1012-Q1016 PolarHBondContact O-OE1 2.7Å |
| 1013 | Q | 95.3 | Very high | 95.9 | Very high | 100 Ų | 100 | 50.8 Ų | 50.8 | 47% | 0.467 | 26% | 0.259 | S | S | . | . | I | π-helix | trans | -104.6 | -61.5 | -179.7 | -59.1 | -168.9 | 1.4 | 0 | 0 | 113.8 | L1009 M1011 Q1017 | L1009-Q1013 HydrophobicContact CD1-CG 4.25Å; L1009-Q1013 VanDerWaalsContact CD1-NE2 3.34Å; L1009-Q1013 VanDerWaalsContact O-CB 3.32Å; L1009-Q1013 WeakPolarHBondContact O-CB 3.38Å; L1009-Q1013 WeakPolarHBondContact O-CG 3.32Å; L1009-Q1013 PolarHBondContact O-N 2.89Å; M1011-Q1013 VanDerWaalsContact C-N 3.32Å; M1011-Q1013 PolarHBondContact O-N 3.36Å; Q1013-Q1017 WeakPolarHBondContact O-CB 3.49Å; Q1013-Q1017 VanDerWaalsContact O-CG 3.24Å; Q1013-Q1017 WeakPolarHBondContact O-CG 3.45Å; Q1013-Q1017 PolarHBondContact O-N 3.35Å |
| 1014 | K | 95.5 | Very high | 95.7 | Very high | 84 Ų | 84 | 55.1 Ų | 55.1 | 37% | 0.365 | 28% | 0.279 | S | S | . | . | I | π-helix | trans | -79 | -35.9 | -169.8 | -68.1 | -61.5 | -177.7 | -173.9 | 0 | 113.1 | L1010 Q1017 F1018 F1042 L1046 | L1010-K1014 HydrophobicContact CD1-CB 3.64Å; L1010-K1014 HydrophobicContact CD1-CG 3.58Å; L1010-K1014 HydrophobicContact CG-CB 4.23Å; L1010-K1014 WeakPolarHBondContact O-CA 3.27Å; L1010-K1014 WeakPolarHBondContact O-CB 3.34Å; L1010-K1014 PolarHBondContact O-N 3.45Å; K1014-Q1017 PolarHBondContact O-N 2.95Å; K1014-F1018 WeakPolarHBondContact O-CB 3.49Å; K1014-F1018 PolarHBondContact O-N 3.33Å; K1014-F1042 HydrophobicContact CD-CZ 4.35Å; K1014-L1046 HydrophobicContact CB-CD1 3.54Å; K1014-L1046 HydrophobicContact CG-CD1 4.49Å |
| 1015 | F | 96.8 | Very high | 95.4 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -71.4 | -39 | 176.9 | -70.5 | 32.7 | 0 | 0 | 0 | 110 | L969 E972 T973 M976 L1010 M1011 F1018 R1019 L1046 I1050 | L969-F1015 HydrophobicContact CD1-CB 3.77Å; L969-F1015 HydrophobicContact CD1-CD1 4.24Å; L969-F1015 HydrophobicContact CD1-CD2 3.42Å; L969-F1015 VanDerWaalsContact CD1-CD2 3.42Å; L969-F1015 HydrophobicContact CD1-CE2 3.96Å; L969-F1015 HydrophobicContact CD1-CG 3.55Å; L969-F1015 HydrophobicContact CG-CB 4.5Å; L969-F1015 HydrophobicContact CG-CD2 4.27Å; E972-F1015 HydrophobicContact CB-CE2 4.36Å; E972-F1015 HydrophobicContact CG-CE2 4.07Å; E972-F1015 HydrophobicContact CG-CZ 3.94Å; T973-F1015 WeakPolarHBondContact OG1-CD2 3.48Å; M976-F1015 HydrophobicContact CE-CE1 3.79Å; M976-F1015 HydrophobicContact CE-CE2 3.93Å; M976-F1015 HydrophobicContact CE-CZ 3.32Å; L1010-F1015 HydrophobicContact CD2-CE1 3.78Å; L1010-F1015 HydrophobicContact CG-CD1 4.11Å; L1010-F1015 HydrophobicContact CG-CE1 3.81Å; L1010-F1015 WeakPolarHBondContact O-CD1 3.25Å; L1010-F1015 PolarHBondContact O-N 2.93Å; M1011-F1015 HydrophobicContact CB-CD2 4.49Å; M1011-F1015 HydrophobicContact CB-CG 4.46Å; M1011-F1015 HydrophobicContact CG-CD2 3.97Å; M1011-F1015 HydrophobicContact CG-CE2 4.09Å; M1011-F1015 HydrophobicContact CG-CG 4.26Å; M1011-F1015 HydrophobicContact CG-CZ 4.47Å; M1011-F1015 WeakPolarHBondContact O-CB 3.31Å; F1015-F1018 PolarHBondContact O-N 2.83Å; F1015-R1019 WeakPolarHBondContact O-CB 3.28Å; F1015-R1019 PolarHBondContact O-N 3.12Å; F1015-L1046 HydrophobicContact CD1-CD1 3.79Å; F1015-L1046 HydrophobicContact CD1-CD2 3.94Å; F1015-L1046 HydrophobicContact CD1-CG 4.18Å; F1015-L1046 HydrophobicContact CE1-CD1 3.77Å; F1015-L1046 HydrophobicContact CE1-CD2 3.93Å; F1015-L1046 HydrophobicContact CE1-CG 3.86Å; F1015-I1050 HydrophobicContact CE1-CD1 4.21Å; F1015-I1050 HydrophobicContact CE1-CG1 4.15Å; F1015-I1050 HydrophobicContact CZ-CD1 3.9Å; F1015-I1050 HydrophobicContact CZ-CG1 3.92Å |
| 1016 | Q | 95.8 | Very high | 95.1 | Very high | 136 Ų | 136 | 56 Ų | 56 | 64% | 0.636 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -62.4 | -43.7 | 171.5 | -65.7 | -167.7 | 10.7 | 0 | 0 | 112.6 | M1011 S1012 F1018 R1019 G1020 | M1011-Q1016 PolarHBondContact O-N 3.32Å; S1012-Q1016 WeakPolarHBondContact O-CG 3.18Å; S1012-Q1016 PolarHBondContact O-OE1 2.7Å; Q1016-F1018 VanDerWaalsContact C-N 3.31Å; Q1016-F1018 PolarHBondContact O-N 3.45Å; Q1016-R1019 PolarHBondContact O-N 3.37Å; Q1016-G1020 PolarHBondContact O-N 3.41Å |
| 1017 | Q | 95.4 | Very high | 94.6 | Very high | 96 Ų | 96 | 58.3 Ų | 58.3 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.7 | -43.3 | 172.4 | -78.4 | 173.6 | 4 | 0 | 0 | 111.7 | Q1013 K1014 G1020 L1021 F1042 | Q1013-Q1017 WeakPolarHBondContact O-CB 3.49Å; Q1013-Q1017 VanDerWaalsContact O-CG 3.24Å; Q1013-Q1017 WeakPolarHBondContact O-CG 3.45Å; Q1013-Q1017 PolarHBondContact O-N 3.35Å; K1014-Q1017 PolarHBondContact O-N 2.95Å; Q1017-G1020 PolarHBondContact O-N 3.41Å; Q1017-L1021 WeakPolarHBondContact O-CG 3.46Å; Q1017-L1021 PolarHBondContact O-N 3.26Å; Q1017-L1021 VanDerWaalsContact O-N 3.11Å; Q1017-F1042 HydrophobicContact CB-CZ 4.12Å |
| 1018 | F | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -71.1 | -40.7 | -179.9 | -169.4 | -119.1 | 0 | 0 | 0 | 113.4 | F965 L969 K1014 F1015 Q1016 G1020 L1021 C1022 L1039 F1042 W1043 L1046 | F965-F1018 HydrophobicContact CB-CE1 3.82Å; F965-F1018 HydrophobicContact CB-CZ 3.79Å; F965-F1018 HydrophobicContact CD1-CE1 4Å; F965-F1018 AromaticContact CD1-CZ 3.55Å; F965-F1018 HydrophobicContact CD1-CZ 3.55Å; F965-F1018 HydrophobicContact CE1-CZ 4.27Å; F965-F1018 HydrophobicContact CG-CE1 4.24Å; F965-F1018 AromaticContact CG-CZ 3.79Å; F965-F1018 HydrophobicContact CG-CZ 3.79Å; L969-F1018 HydrophobicContact CB-CD1 4.32Å; L969-F1018 HydrophobicContact CD1-CD1 4Å; L969-F1018 HydrophobicContact CD2-CD1 4.03Å; L969-F1018 HydrophobicContact CG-CD1 4.34Å; K1014-F1018 WeakPolarHBondContact O-CB 3.49Å; K1014-F1018 PolarHBondContact O-N 3.33Å; F1015-F1018 PolarHBondContact O-N 2.83Å; Q1016-F1018 VanDerWaalsContact C-N 3.31Å; Q1016-F1018 PolarHBondContact O-N 3.45Å; F1018-G1020 VanDerWaalsContact C-N 3.33Å; F1018-G1020 PolarHBondContact O-N 2.7Å; F1018-L1021 PolarHBondContact O-N 2.97Å; F1018-C1022 VanDerWaalsContact CE1-SG 3.59Å; F1018-C1022 PolarHBondContact O-N 3.31Å; F1018-C1022 PolarHBondContact O-SG 2.79Å; F1018-L1039 HydrophobicContact CE2-CB 4.14Å; F1018-L1039 HydrophobicContact CE2-CD2 4.01Å; F1018-L1039 WeakPolarHBondContact CE2-O 3.41Å; F1018-L1039 HydrophobicContact CZ-CB 4.28Å; F1018-F1042 HydrophobicContact CB-CD1 3.97Å; F1018-F1042 HydrophobicContact CB-CE1 3.77Å; F1018-F1042 HydrophobicContact CD2-CB 3.96Å; F1018-F1042 AromaticContact CD2-CD1 3.31Å; F1018-F1042 HydrophobicContact CD2-CD1 3.31Å; F1018-F1042 HydrophobicContact CD2-CE1 4.01Å; F1018-F1042 AromaticContact CD2-CG 3.82Å; F1018-F1042 HydrophobicContact CD2-CG 3.82Å; F1018-F1042 HydrophobicContact CE2-CB 3.97Å; F1018-F1042 HydrophobicContact CE2-CD1 4.1Å; F1018-F1042 HydrophobicContact CE2-CG 4.35Å; F1018-F1042 AromaticContact CG-CD1 3.92Å; F1018-F1042 HydrophobicContact CG-CD1 3.92Å; F1018-F1042 HydrophobicContact CG-CE1 4.25Å; F1018-W1043 AromaticContact CD1-CE3 3.97Å; F1018-W1043 HydrophobicContact CD1-CE3 3.97Å; F1018-W1043 HydrophobicContact CD1-CZ3 4.35Å; F1018-W1043 HydrophobicContact CE1-CD2 4.43Å; F1018-W1043 AromaticContact CE1-CE3 3.46Å; F1018-W1043 HydrophobicContact CE1-CE3 3.46Å; F1018-W1043 VanDerWaalsContact CE1-CE3 3.46Å; F1018-W1043 HydrophobicContact CE1-CZ3 4.11Å; F1018-W1043 HydrophobicContact CE2-CB 4.39Å; F1018-W1043 HydrophobicContact CZ-CB 3.96Å; F1018-W1043 HydrophobicContact CZ-CE3 4.03Å; F1018-L1046 HydrophobicContact CB-CD2 4.24Å; F1018-L1046 HydrophobicContact CD1-CD2 4.21Å; F1018-L1046 HydrophobicContact CG-CD2 4.29Å |
| 1019 | R | 95.7 | Very high | 93.2 | Very high | 125 Ų | 125 | 64.2 Ų | 64.2 | 47% | 0.472 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -53.7 | -50.7 | 171.3 | 168.4 | 174.8 | -76.4 | -159.4 | -1.4 | 110.6 | L966 L969 F1015 Q1016 L1021 C1022 E1023 | L966-R1019 HydrophobicContact CD2-CB 4.21Å; L966-R1019 HydrophobicContact CD2-CG 3.88Å; L969-R1019 HydrophobicContact CD2-CB 3.87Å; F1015-R1019 WeakPolarHBondContact O-CB 3.28Å; F1015-R1019 PolarHBondContact O-N 3.12Å; Q1016-R1019 PolarHBondContact O-N 3.37Å; R1019-L1021 VanDerWaalsContact C-N 3.31Å; R1019-L1021 PolarHBondContact O-N 3.45Å; R1019-C1022 WeakPolarHBondContact O-CB 3.34Å; R1019-C1022 PolarHBondContact O-N 3.42Å; R1019-C1022 VanDerWaalsContact O-N 3.07Å; R1019-E1023 WeakPolarHBondContact CD-OE1 3.45Å; R1019-E1023 HydrophobicContact CG-CG 4.39Å; R1019-E1023 WeakPolarHBondContact CG-OE1 3.47Å; R1019-E1023 WeakPolarHBondContact O-CG 3.36Å; R1019-E1023 PolarHBondContact O-N 3.01Å |
| 1020 | G | 94.5 | Very high | 92.4 | Very high | 18 Ų | 18 | 60.6 Ų | 60.6 | 19% | 0.186 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.2 | -36.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q1016 Q1017 F1018 Q1024 | Q1016-G1020 PolarHBondContact O-N 3.41Å; Q1017-G1020 PolarHBondContact O-N 3.41Å; F1018-G1020 VanDerWaalsContact C-N 3.33Å; F1018-G1020 PolarHBondContact O-N 2.7Å; G1020-Q1024 WeakPolarHBondContact O-CB 3.5Å; G1020-Q1024 WeakPolarHBondContact O-CG 3.33Å; G1020-Q1024 PolarHBondContact O-N 2.89Å; G1020-Q1024 PolarHBondContact O-NE2 3.19Å |
| 1021 | L | 94.1 | Very high | 91.2 | Very high | 47 Ų | 47 | 67 Ų | 67 | 25% | 0.246 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.5 | -38.1 | 172.7 | -71.6 | 170.8 | 0 | 0 | 0 | 112.4 | Q1017 F1018 R1019 Q1024 N1025 P1034 L1039 F1042 | Q1017-L1021 WeakPolarHBondContact O-CG 3.46Å; Q1017-L1021 PolarHBondContact O-N 3.26Å; Q1017-L1021 VanDerWaalsContact O-N 3.11Å; F1018-L1021 PolarHBondContact O-N 2.97Å; R1019-L1021 VanDerWaalsContact C-N 3.31Å; R1019-L1021 PolarHBondContact O-N 3.45Å; L1021-Q1024 PolarHBondContact O-N 3.35Å; L1021-N1025 PolarHBondContact O-N 3.43Å; L1021-P1034 HydrophobicContact CD2-CG 3.9Å; L1021-L1039 HydrophobicContact CB-CD2 3.83Å; L1021-F1042 HydrophobicContact CD1-CD2 3.55Å; L1021-F1042 HydrophobicContact CD1-CE2 3.76Å; L1021-F1042 HydrophobicContact CD1-CG 4.05Å; L1021-F1042 HydrophobicContact CD1-CZ 4.41Å |
| 1022 | C | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.9 | -44.8 | 175.9 | -63.5 | 0 | 0 | 0 | 0 | 111.6 | F965 L966 F1018 R1019 Q1024 N1025 L1026 L1039 | F965-C1022 VanDerWaalsContact CB-SG 3.57Å; L966-C1022 HydrophobicContact CD1-CB 4.13Å; L966-C1022 HydrophobicContact CD2-CB 3.95Å; L966-C1022 HydrophobicContact CG-CB 3.65Å; F1018-C1022 VanDerWaalsContact CE1-SG 3.59Å; F1018-C1022 PolarHBondContact O-N 3.31Å; F1018-C1022 PolarHBondContact O-SG 2.79Å; R1019-C1022 WeakPolarHBondContact O-CB 3.34Å; R1019-C1022 PolarHBondContact O-N 3.42Å; R1019-C1022 VanDerWaalsContact O-N 3.07Å; C1022-Q1024 VanDerWaalsContact C-N 3.29Å; C1022-Q1024 PolarHBondContact O-N 2.83Å; C1022-N1025 WeakPolarHBondContact O-CB 3.49Å; C1022-N1025 PolarHBondContact O-N 3.31Å; C1022-L1026 WeakPolarHBondContact O-CG 3.39Å; C1022-L1026 PolarHBondContact O-N 3.48Å; C1022-L1039 HydrophobicContact CB-CD1 4.47Å |
| 1023 | E | 92.9 | Very high | 90 | Very high | 98 Ų | 98 | 74.4 Ų | 74.4 | 46% | 0.458 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.8 | -39.7 | 174.1 | -70 | 165.1 | -176 | 0 | 0 | 111.4 | L966 R1019 L1026 N1027 | L966-E1023 HydrophobicContact CD1-CG 4.49Å; R1019-E1023 WeakPolarHBondContact CD-OE1 3.45Å; R1019-E1023 HydrophobicContact CG-CG 4.39Å; R1019-E1023 WeakPolarHBondContact CG-OE1 3.47Å; R1019-E1023 WeakPolarHBondContact O-CG 3.36Å; R1019-E1023 PolarHBondContact O-N 3.01Å; E1023-L1026 PolarHBondContact O-N 2.68Å; E1023-N1027 PolarHBondContact O-N 2.88Å |
| 1024 | Q | 92.1 | Very high | 89.7 | Confident | 91 Ų | 91 | 70.3 Ų | 70.3 | 43% | 0.425 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.1 | -32.1 | 172.4 | -71.7 | 164.7 | 36.3 | 0 | 0 | 113.3 | G1020 L1021 C1022 L1026 A1030 P1034 | G1020-Q1024 WeakPolarHBondContact O-CB 3.5Å; G1020-Q1024 WeakPolarHBondContact O-CG 3.33Å; G1020-Q1024 PolarHBondContact O-N 2.89Å; G1020-Q1024 PolarHBondContact O-NE2 3.19Å; L1021-Q1024 PolarHBondContact O-N 3.35Å; C1022-Q1024 VanDerWaalsContact C-N 3.29Å; C1022-Q1024 PolarHBondContact O-N 2.83Å; Q1024-L1026 VanDerWaalsContact C-N 3.34Å; Q1024-A1030 HydrophobicContact CB-CB 4.42Å; Q1024-A1030 WeakPolarHBondContact O-CB 3.37Å; Q1024-P1034 HydrophobicContact CB-CG 3.85Å |
| 1025 | N | 91.4 | Very high | 89.5 | Confident | 13 Ų | 13 | 70.1 Ų | 70.1 | 7% | 0.07 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.5 | -35 | 171.6 | 172.4 | -100.3 | 0 | 0 | 0 | 111.7 | G962 L1021 C1022 R1033 P1034 L1039 | G962-N1025 PolarHBondContact N-OD1 3.27Å; L1021-N1025 PolarHBondContact O-N 3.43Å; C1022-N1025 WeakPolarHBondContact O-CB 3.49Å; C1022-N1025 PolarHBondContact O-N 3.31Å; N1025-R1033 PolarHBondContact O-NE 3.44Å; N1025-R1033 PolarHBondContact O-NH2 3.11Å; N1025-P1034 HydrophobicContact CB-CB 4.47Å; N1025-P1034 PolarHBondContact ND2-O 2.94Å; N1025-L1039 HydrophobicContact CB-CD1 3.65Å; N1025-L1039 HydrophobicContact CB-CD2 4.42Å; N1025-L1039 HydrophobicContact CB-CG 4.2Å |
| 1026 | L | 89.1 | Confident | 89.3 | Confident | 47 Ų | 47 | 71.3 Ų | 71.3 | 25% | 0.246 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -73.9 | -39.4 | 176.6 | -64.1 | -179.2 | 0 | 0 | 0 | 112.1 | H963 L966 C1022 E1023 Q1024 V1028 | H963-L1026 VanDerWaalsContact CE1-CD2 3.44Å; H963-L1026 WeakPolarHBondContact CE1-CD2 3.43Å; H963-L1026 VanDerWaalsContact ND1-CD2 3.33Å; H963-L1026 WeakPolarHBondContact ND1-CD2 3.4Å; L966-L1026 HydrophobicContact CD1-CD1 3.92Å; C1022-L1026 WeakPolarHBondContact O-CG 3.39Å; C1022-L1026 PolarHBondContact O-N 3.48Å; E1023-L1026 PolarHBondContact O-N 2.68Å; Q1024-L1026 VanDerWaalsContact C-N 3.34Å; L1026-V1028 PolarHBondContact O-N 3.04Å; L1026-V1028 VanDerWaalsContact O-N 3.11Å |
| 1027 | N | 87.1 | Confident | 89.1 | Confident | 79 Ų | 79 | 71.8 Ų | 71.8 | 42% | 0.422 | 38% | 0.381 | S | S | . | . | | | trans | -68 | 109.6 | 177.5 | -172.2 | -9.7 | 0 | 0 | 0 | 112 | E1023 T1029 A1030 | E1023-N1027 PolarHBondContact O-N 2.88Å; N1027-T1029 PolarHBondContact ND2-OG1 3.19Å; N1027-T1029 PolarHBondContact O-N 2.98Å; N1027-T1029 WeakPolarHBondContact OD1-CB 3.41Å; N1027-T1029 PolarHBondContact OD1-N 3.4Å; N1027-T1029 PolarHBondContact OD1-OG1 3.07Å; N1027-A1030 HydrophobicContact CB-CB 4.41Å; N1027-A1030 WeakPolarHBondContact O-CB 3.49Å; N1027-A1030 PolarHBondContact O-N 3.07Å |
| 1028 | V | 81.5 | Confident | 89 | Confident | 110 Ų | 110 | 71.5 Ų | 71.5 | 67% | 0.667 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -23.8 | 179 | -177.2 | 0 | 0 | 0 | 0 | 112.8 | L1026 | L1026-V1028 PolarHBondContact O-N 3.04Å; L1026-V1028 VanDerWaalsContact O-N 3.11Å |
| 1029 | T | 81.6 | Confident | 88.9 | Confident | 109 Ų | 109 | 71.5 Ų | 71.5 | 67% | 0.669 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -8.2 | -178.5 | 68.8 | 0 | 0 | 0 | 0 | 114.3 | N1027 N1031 | N1027-T1029 PolarHBondContact ND2-OG1 3.19Å; N1027-T1029 PolarHBondContact O-N 2.98Å; N1027-T1029 WeakPolarHBondContact OD1-CB 3.41Å; N1027-T1029 PolarHBondContact OD1-N 3.4Å; N1027-T1029 PolarHBondContact OD1-OG1 3.07Å; T1029-N1031 PolarHBondContact O-ND2 2.9Å |
| 1030 | A | 82 | Confident | 88.9 | Confident | 17 Ų | 17 | 66.4 Ų | 66.4 | 14% | 0.14 | 37% | 0.367 | C | S | . | . | | | trans | -63.9 | 138.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1024 N1027 R1033 | Q1024-A1030 HydrophobicContact CB-CB 4.42Å; Q1024-A1030 WeakPolarHBondContact O-CB 3.37Å; N1027-A1030 HydrophobicContact CB-CB 4.41Å; N1027-A1030 WeakPolarHBondContact O-CB 3.49Å; N1027-A1030 PolarHBondContact O-N 3.07Å; A1030-R1033 HydrophobicContact CB-CB 4.34Å; A1030-R1033 HydrophobicContact CB-CG 4.5Å; A1030-R1033 WeakPolarHBondContact O-CB 3.45Å; A1030-R1033 PolarHBondContact O-N 3.18Å |
| 1031 | N | 70.7 | Confident | 88.9 | Confident | 152 Ų | 152 | 67.1 Ų | 67.1 | 81% | 0.813 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.6 | 115.9 | 179.9 | -88.6 | -71.4 | 0 | 0 | 0 | 111.5 | T1029 | T1029-N1031 PolarHBondContact O-ND2 2.9Š|
| 1032 | P | 80.6 | Confident | 89 | Confident | 119 Ų | 119 | 67.2 Ų | 67.2 | 77% | 0.773 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -67.8 | 135.3 | -9.4 | 30.3 | -34.4 | 0 | 0 | 0 | 111.3 | P1034 | P1032-P1034 WeakPolarHBondContact O-CD 3.43Š|
| 1033 | R | 86.6 | Confident | 89.1 | Confident | 114 Ų | 114 | 68.2 Ų | 68.2 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 123.9 | 171.2 | -173.1 | 175.1 | 178.4 | -173.3 | 3 | 109.5 | N1025 A1030 T1035 | N1025-R1033 PolarHBondContact O-NE 3.44Å; N1025-R1033 PolarHBondContact O-NH2 3.11Å; A1030-R1033 HydrophobicContact CB-CB 4.34Å; A1030-R1033 HydrophobicContact CB-CG 4.5Å; A1030-R1033 WeakPolarHBondContact O-CB 3.45Å; A1030-R1033 PolarHBondContact O-N 3.18Å; R1033-T1035 PolarHBondContact O-N 3.28Å |
| 1034 | P | 90.5 | Very high | 89.3 | Confident | 15 Ų | 15 | 68.4 Ų | 68.4 | 10% | 0.097 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 134.7 | 171.5 | -22.8 | 34.1 | 0 | 0 | 0 | 110.7 | L1021 Q1024 N1025 P1032 L1039 | L1021-P1034 HydrophobicContact CD2-CG 3.9Å; Q1024-P1034 HydrophobicContact CB-CG 3.85Å; N1025-P1034 HydrophobicContact CB-CB 4.47Å; N1025-P1034 PolarHBondContact ND2-O 2.94Å; P1032-P1034 WeakPolarHBondContact O-CD 3.43Å; P1034-L1039 HydrophobicContact CB-CD2 4.39Å |
| 1035 | T | 90.9 | Very high | 89.4 | Confident | 80 Ų | 80 | 69.9 Ų | 69.9 | 49% | 0.491 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 157.5 | 176.8 | -37.4 | 0 | 0 | 0 | 0 | 110.2 | R1033 Q1037 D1038 L1039 | R1033-T1035 PolarHBondContact O-N 3.28Å; T1035-Q1037 HydrophobicContact CG2-CB 4.47Å; T1035-Q1037 PolarHBondContact O-N 3Å; T1035-Q1037 VanDerWaalsContact O-N 3.14Å; T1035-D1038 WeakPolarHBondContact CA-OD2 3.41Å; T1035-D1038 WeakPolarHBondContact CB-OD2 3.15Å; T1035-D1038 PolarHBondContact N-OD2 3.3Å; T1035-D1038 WeakPolarHBondContact O-CB 3.38Å; T1035-D1038 PolarHBondContact O-N 2.88Å; T1035-D1038 PolarHBondContact OG1-OD2 3.41Å; T1035-L1039 PolarHBondContact O-N 3.36Å |
| 1036 | A | 90.9 | Very high | 89.7 | Confident | 32 Ų | 32 | 69.4 Ų | 69.4 | 26% | 0.264 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -52.6 | -32.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113 | R960 A1040 | R960-A1036 VanDerWaalsContact O-CB 3.28Å; R960-A1036 WeakPolarHBondContact O-CB 3.42Å; A1036-A1040 PolarHBondContact O-N 3.06Å |
| 1037 | Q | 92.6 | Very high | 90 | Very high | 145 Ų | 145 | 69.9 Ų | 69.9 | 68% | 0.678 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -72.6 | -32.9 | 174.9 | -169.6 | 63.7 | 23 | 0 | 0 | 113 | T1035 A1040 G1041 | T1035-Q1037 HydrophobicContact CG2-CB 4.47Å; T1035-Q1037 PolarHBondContact O-N 3Å; T1035-Q1037 VanDerWaalsContact O-N 3.14Å; Q1037-A1040 PolarHBondContact O-N 3.44Å; Q1037-G1041 PolarHBondContact O-N 2.89Å |
| 1038 | D | 93.9 | Very high | 90.4 | Very high | 91 Ų | 91 | 71.5 Ų | 71.5 | 49% | 0.487 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -72.1 | -36.9 | 176 | -55.4 | -47.9 | 0 | 0 | 0 | 110.3 | T1035 G1041 F1042 | T1035-D1038 WeakPolarHBondContact CA-OD2 3.41Å; T1035-D1038 WeakPolarHBondContact CB-OD2 3.15Å; T1035-D1038 PolarHBondContact N-OD2 3.3Å; T1035-D1038 WeakPolarHBondContact O-CB 3.38Å; T1035-D1038 PolarHBondContact O-N 2.88Å; T1035-D1038 PolarHBondContact OG1-OD2 3.41Å; D1038-G1041 PolarHBondContact O-N 3Å; D1038-F1042 PolarHBondContact O-N 2.89Å |
| 1039 | L | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 169.4 | -63.4 | -172.1 | 0 | 0 | 0 | 111.7 | F965 F1018 L1021 C1022 N1025 P1034 T1035 G1041 F1042 W1043 | F965-L1039 HydrophobicContact CB-CD1 4.41Å; F965-L1039 HydrophobicContact CD2-CB 3.62Å; F965-L1039 HydrophobicContact CD2-CD1 3.59Å; F965-L1039 HydrophobicContact CD2-CG 4.29Å; F965-L1039 HydrophobicContact CE2-CB 3.57Å; F965-L1039 HydrophobicContact CE2-CD1 4.22Å; F965-L1039 HydrophobicContact CG-CB 4.19Å; F965-L1039 HydrophobicContact CG-CD1 4.28Å; F965-L1039 HydrophobicContact CZ-CB 4.08Å; F1018-L1039 HydrophobicContact CE2-CB 4.14Å; F1018-L1039 HydrophobicContact CE2-CD2 4.01Å; F1018-L1039 WeakPolarHBondContact CE2-O 3.41Å; F1018-L1039 HydrophobicContact CZ-CB 4.28Å; L1021-L1039 HydrophobicContact CB-CD2 3.83Å; C1022-L1039 HydrophobicContact CB-CD1 4.47Å; N1025-L1039 HydrophobicContact CB-CD1 3.65Å; N1025-L1039 HydrophobicContact CB-CD2 4.42Å; N1025-L1039 HydrophobicContact CB-CG 4.2Å; P1034-L1039 HydrophobicContact CB-CD2 4.39Å; T1035-L1039 PolarHBondContact O-N 3.36Å; L1039-G1041 PolarHBondContact O-N 3.11Å; L1039-F1042 PolarHBondContact O-N 3.49Å; L1039-W1043 WeakPolarHBondContact O-CB 3.24Å; L1039-W1043 PolarHBondContact O-N 3.26Å |
| 1040 | A | 94.7 | Very high | 91.8 | Very high | 17 Ų | 17 | 62.8 Ų | 62.8 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.7 | -47.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | F965 A1036 Q1037 F1042 W1043 D1044 | F965-A1040 HydrophobicContact CZ-CB 3.92Å; A1036-A1040 PolarHBondContact O-N 3.06Å; Q1037-A1040 PolarHBondContact O-N 3.44Å; A1040-F1042 PolarHBondContact O-N 3.42Å; A1040-W1043 PolarHBondContact O-N 2.91Å; A1040-D1044 VanDerWaalsContact O-CG 3.28Å; A1040-D1044 PolarHBondContact O-N 3.43Å |
| 1041 | G | 95.6 | Very high | 92.5 | Very high | 33 Ų | 33 | 66.5 Ų | 66.5 | 34% | 0.34 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.8 | -34.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q1037 D1038 L1039 L1045 | Q1037-G1041 PolarHBondContact O-N 2.89Å; D1038-G1041 PolarHBondContact O-N 3Å; L1039-G1041 PolarHBondContact O-N 3.11Å; G1041-L1045 WeakPolarHBondContact O-CD1 2.98Å; G1041-L1045 PolarHBondContact O-N 3Å |
| 1042 | F | 95.6 | Very high | 93.8 | Very high | 50 Ų | 50 | 63.5 Ų | 63.5 | 22% | 0.219 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -71.5 | -39.4 | 172.2 | -163.8 | -72.3 | 0 | 0 | 0 | 111.3 | K1014 Q1017 F1018 L1021 D1038 L1039 A1040 L1045 L1046 | K1014-F1042 HydrophobicContact CD-CZ 4.35Å; Q1017-F1042 HydrophobicContact CB-CZ 4.12Å; F1018-F1042 HydrophobicContact CB-CD1 3.97Å; F1018-F1042 HydrophobicContact CB-CE1 3.77Å; F1018-F1042 HydrophobicContact CD2-CB 3.96Å; F1018-F1042 AromaticContact CD2-CD1 3.31Å; F1018-F1042 HydrophobicContact CD2-CD1 3.31Å; F1018-F1042 HydrophobicContact CD2-CE1 4.01Å; F1018-F1042 AromaticContact CD2-CG 3.82Å; F1018-F1042 HydrophobicContact CD2-CG 3.82Å; F1018-F1042 HydrophobicContact CE2-CB 3.97Å; F1018-F1042 HydrophobicContact CE2-CD1 4.1Å; F1018-F1042 HydrophobicContact CE2-CG 4.35Å; F1018-F1042 AromaticContact CG-CD1 3.92Å; F1018-F1042 HydrophobicContact CG-CD1 3.92Å; F1018-F1042 HydrophobicContact CG-CE1 4.25Å; L1021-F1042 HydrophobicContact CD1-CD2 3.55Å; L1021-F1042 HydrophobicContact CD1-CE2 3.76Å; L1021-F1042 HydrophobicContact CD1-CG 4.05Å; L1021-F1042 HydrophobicContact CD1-CZ 4.41Å; D1038-F1042 PolarHBondContact O-N 2.89Å; L1039-F1042 PolarHBondContact O-N 3.49Å; A1040-F1042 PolarHBondContact O-N 3.42Å; F1042-L1045 WeakPolarHBondContact O-CB 3.4Å; F1042-L1045 PolarHBondContact O-N 2.85Å; F1042-L1046 WeakPolarHBondContact O-CB 3.39Å; F1042-L1046 PolarHBondContact O-N 3.4Å |
| 1043 | W | 96.4 | Very high | 94.5 | Very high | 20 Ų | 20 | 58.1 Ų | 58.1 | 8% | 0.076 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 176.3 | -178.9 | -93.4 | 0 | 0 | 0 | 112 | F965 L968 L969 E972 F1018 L1039 A1040 L1045 L1046 Q1047 I1050 | F965-W1043 HydrophobicContact CD1-CB 4.11Å; F965-W1043 HydrophobicContact CD1-CD2 4.46Å; F965-W1043 HydrophobicContact CD1-CG 4.22Å; F965-W1043 HydrophobicContact CE1-CB 3.7Å; F965-W1043 AromaticContact CE1-CG 3.95Å; F965-W1043 HydrophobicContact CE1-CG 3.95Å; L968-W1043 HydrophobicContact CD1-CZ2 4.32Å; L968-W1043 HydrophobicContact CD2-CD2 4.12Å; L968-W1043 HydrophobicContact CD2-CH2 4.1Å; L968-W1043 HydrophobicContact CD2-CZ2 3.53Å; L968-W1043 HydrophobicContact CG-CH2 3.75Å; L968-W1043 HydrophobicContact CG-CZ2 3.58Å; L968-W1043 HydrophobicContact CG-CZ3 4.4Å; L969-W1043 HydrophobicContact CB-CZ3 4.23Å; L969-W1043 HydrophobicContact CD1-CZ3 4.04Å; E972-W1043 HydrophobicContact CB-CH2 4.1Å; E972-W1043 HydrophobicContact CG-CH2 4.25Å; F1018-W1043 AromaticContact CD1-CE3 3.97Å; F1018-W1043 HydrophobicContact CD1-CE3 3.97Å; F1018-W1043 HydrophobicContact CD1-CZ3 4.35Å; F1018-W1043 HydrophobicContact CE1-CD2 4.43Å; F1018-W1043 AromaticContact CE1-CE3 3.46Å; F1018-W1043 HydrophobicContact CE1-CE3 3.46Å; F1018-W1043 VanDerWaalsContact CE1-CE3 3.46Å; F1018-W1043 HydrophobicContact CE1-CZ3 4.11Å; F1018-W1043 HydrophobicContact CE2-CB 4.39Å; F1018-W1043 HydrophobicContact CZ-CB 3.96Å; F1018-W1043 HydrophobicContact CZ-CE3 4.03Å; L1039-W1043 WeakPolarHBondContact O-CB 3.24Å; L1039-W1043 PolarHBondContact O-N 3.26Å; A1040-W1043 PolarHBondContact O-N 2.91Å; W1043-L1045 VanDerWaalsContact C-N 3.28Å; W1043-L1045 PolarHBondContact O-N 3.03Å; W1043-L1046 HydrophobicContact CE3-CD2 3.95Å; W1043-L1046 HydrophobicContact CZ3-CD2 3.89Å; W1043-L1046 CarbonylContact O-C 3.35Å; W1043-L1046 WeakPolarHBondContact O-CA 3.27Å; W1043-L1046 WeakPolarHBondContact O-CB 3.34Å; W1043-L1046 PolarHBondContact O-N 2.95Å; W1043-Q1047 WeakPolarHBondContact O-CB 3.49Å; W1043-Q1047 PolarHBondContact O-N 2.75Å; W1043-I1050 HydrophobicContact CH2-CD1 4.44Å |
| 1044 | D | 96.4 | Very high | 95 | Very high | 102 Ų | 102 | 53.9 Ų | 53.9 | 55% | 0.545 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.4 | -38.5 | 176.3 | -66.8 | -19.2 | 0 | 0 | 0 | 111.5 | A1040 L1048 | A1040-D1044 VanDerWaalsContact O-CG 3.28Å; A1040-D1044 PolarHBondContact O-N 3.43Å; D1044-L1048 WeakPolarHBondContact O-CG 3Å; D1044-L1048 PolarHBondContact O-N 3.43Å |
| 1045 | L | 95 | Very high | 95.3 | Very high | 122 Ų | 122 | 58.7 Ų | 58.7 | 64% | 0.639 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -67.8 | -35.3 | 172 | -99.4 | 68.6 | 0 | 0 | 0 | 112.8 | G1041 F1042 W1043 | G1041-L1045 WeakPolarHBondContact O-CD1 2.98Å; G1041-L1045 PolarHBondContact O-N 3Å; F1042-L1045 WeakPolarHBondContact O-CB 3.4Å; F1042-L1045 PolarHBondContact O-N 2.85Å; W1043-L1045 VanDerWaalsContact C-N 3.28Å; W1043-L1045 PolarHBondContact O-N 3.03Å |
| 1046 | L | 96.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.6 | -41.6 | 177.2 | -163.3 | 62.2 | 0 | 0 | 0 | 110.8 | L969 L1010 K1014 F1015 F1018 F1042 W1043 L1048 S1049 I1050 | L969-L1046 HydrophobicContact CD1-CD2 3.93Å; L1010-L1046 HydrophobicContact CD1-CD1 4.31Å; L1010-L1046 HydrophobicContact CG-CD1 4.45Å; K1014-L1046 HydrophobicContact CB-CD1 3.54Å; K1014-L1046 HydrophobicContact CG-CD1 4.49Å; F1015-L1046 HydrophobicContact CD1-CD1 3.79Å; F1015-L1046 HydrophobicContact CD1-CD2 3.94Å; F1015-L1046 HydrophobicContact CD1-CG 4.18Å; F1015-L1046 HydrophobicContact CE1-CD1 3.77Å; F1015-L1046 HydrophobicContact CE1-CD2 3.93Å; F1015-L1046 HydrophobicContact CE1-CG 3.86Å; F1018-L1046 HydrophobicContact CB-CD2 4.24Å; F1018-L1046 HydrophobicContact CD1-CD2 4.21Å; F1018-L1046 HydrophobicContact CG-CD2 4.29Å; F1042-L1046 WeakPolarHBondContact O-CB 3.39Å; F1042-L1046 PolarHBondContact O-N 3.4Å; W1043-L1046 HydrophobicContact CE3-CD2 3.95Å; W1043-L1046 HydrophobicContact CZ3-CD2 3.89Å; W1043-L1046 CarbonylContact O-C 3.35Å; W1043-L1046 WeakPolarHBondContact O-CA 3.27Å; W1043-L1046 WeakPolarHBondContact O-CB 3.34Å; W1043-L1046 PolarHBondContact O-N 2.95Å; L1046-L1048 VanDerWaalsContact C-N 3.34Å; L1046-L1048 PolarHBondContact O-N 3.19Å; L1046-S1049 CarbonylContact O-C 3.56Å; L1046-S1049 PolarHBondContact O-N 2.87Å; L1046-S1049 PolarHBondContact O-OG 3.41Å; L1046-I1050 HydrophobicContact CG-CD1 4.08Å; L1046-I1050 WeakPolarHBondContact O-CG1 3.43Å; L1046-I1050 PolarHBondContact O-N 3Å |
| 1047 | Q | 96.6 | Very high | 95.7 | Very high | 58 Ų | 58 | 56 Ų | 56 | 27% | 0.271 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.5 | -42.3 | 178.2 | -160.8 | 69.2 | 23.2 | 0 | 0 | 111.6 | W1043 S1049 I1050 E1051 | W1043-Q1047 WeakPolarHBondContact O-CB 3.49Å; W1043-Q1047 PolarHBondContact O-N 2.75Å; Q1047-S1049 VanDerWaalsContact C-N 3.28Å; Q1047-S1049 PolarHBondContact O-N 2.93Å; Q1047-I1050 WeakPolarHBondContact O-CB 3.39Å; Q1047-I1050 PolarHBondContact O-N 3.43Å; Q1047-I1050 VanDerWaalsContact O-N 3.11Å; Q1047-E1051 WeakPolarHBondContact O-CG 3.43Å; Q1047-E1051 PolarHBondContact O-N 2.93Å |
| 1048 | L | 96 | Very high | 95.9 | Very high | 113 Ų | 113 | 52.5 Ų | 52.5 | 59% | 0.592 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.7 | -36.5 | 173.9 | -69.3 | 171 | 0 | 0 | 0 | 112.9 | D1044 L1046 D1052 | D1044-L1048 WeakPolarHBondContact O-CG 3Å; D1044-L1048 PolarHBondContact O-N 3.43Å; L1046-L1048 VanDerWaalsContact C-N 3.34Å; L1046-L1048 PolarHBondContact O-N 3.19Å; L1048-D1052 PolarHBondContact O-N 2.98Å; L1048-D1052 VanDerWaalsContact O-N 3.14Å |
| 1049 | S | 96.2 | Very high | 95.9 | Very high | 32 Ų | 32 | 52.5 Ų | 52.5 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -77.9 | -26.3 | 174.8 | 53.5 | 0 | 0 | 0 | 0 | 113.8 | L1010 L1046 Q1047 I1053 | L1010-S1049 WeakPolarHBondContact CD1-OG 3.47Å; L1010-S1049 WeakPolarHBondContact CD2-OG 3.49Å; L1046-S1049 CarbonylContact O-C 3.56Å; L1046-S1049 PolarHBondContact O-N 2.87Å; L1046-S1049 PolarHBondContact O-OG 3.41Å; Q1047-S1049 VanDerWaalsContact C-N 3.28Å; Q1047-S1049 PolarHBondContact O-N 2.93Å; S1049-I1053 WeakPolarHBondContact O-CD1 3.41Å; S1049-I1053 VanDerWaalsContact O-CG1 3.24Å; S1049-I1053 WeakPolarHBondContact O-CG1 3.49Å; S1049-I1053 PolarHBondContact O-N 3.38Å |
| 1050 | I | 96.2 | Very high | 95.8 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.8 | -42.8 | 169.7 | -72.2 | 154 | 0 | 0 | 0 | 110 | E972 L1010 F1015 W1043 L1046 Q1047 I1053 S1054 | E972-I1050 HydrophobicContact CG-CD1 3.58Å; E972-I1050 HydrophobicContact CG-CG1 4.18Å; E972-I1050 WeakPolarHBondContact OE1-CG2 3.37Å; L1010-I1050 HydrophobicContact CD2-CG1 4.14Å; F1015-I1050 HydrophobicContact CE1-CD1 4.21Å; F1015-I1050 HydrophobicContact CE1-CG1 4.15Å; F1015-I1050 HydrophobicContact CZ-CD1 3.9Å; F1015-I1050 HydrophobicContact CZ-CG1 3.92Å; W1043-I1050 HydrophobicContact CH2-CD1 4.44Å; L1046-I1050 HydrophobicContact CG-CD1 4.08Å; L1046-I1050 WeakPolarHBondContact O-CG1 3.43Å; L1046-I1050 PolarHBondContact O-N 3Å; Q1047-I1050 WeakPolarHBondContact O-CB 3.39Å; Q1047-I1050 PolarHBondContact O-N 3.43Å; Q1047-I1050 VanDerWaalsContact O-N 3.11Å; I1050-I1053 CarbonylContact O-C 3.58Å; I1050-I1053 PolarHBondContact O-N 2.99Å; I1050-I1053 VanDerWaalsContact O-N 3.17Å; I1050-S1054 PolarHBondContact O-N 2.76Å |
| 1051 | E | 96.9 | Very high | 95.7 | Very high | 95 Ų | 95 | 54.6 Ų | 54.6 | 44% | 0.444 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 178.6 | -73 | 172.3 | -167.5 | 0 | 0 | 112.7 | Q1047 I1053 S1054 L1055 | Q1047-E1051 WeakPolarHBondContact O-CG 3.43Å; Q1047-E1051 PolarHBondContact O-N 2.93Å; E1051-I1053 PolarHBondContact O-N 2.94Å; E1051-S1054 WeakPolarHBondContact CA-OG 3.34Å; E1051-S1054 PolarHBondContact O-N 3.14Å; E1051-S1054 PolarHBondContact O-OG 3.23Å; E1051-L1055 WeakPolarHBondContact O-CG 3.44Å; E1051-L1055 PolarHBondContact O-N 2.67Å; E1051-L1055 VanDerWaalsContact O-N 3.12Å |
| 1052 | D | 96.6 | Very high | 95.5 | Very high | 89 Ų | 89 | 57.2 Ų | 57.2 | 48% | 0.476 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.9 | -24.7 | 172.2 | 175.5 | 63.7 | 0 | 0 | 0 | 112.9 | L1048 K1056 | L1048-D1052 PolarHBondContact O-N 2.98Å; L1048-D1052 VanDerWaalsContact O-N 3.14Å; D1052-K1056 VanDerWaalsContact CG-NZ 3.28Å; D1052-K1056 WeakPolarHBondContact O-CD 3.49Å; D1052-K1056 WeakPolarHBondContact O-CE 3.37Å; D1052-K1056 WeakPolarHBondContact O-CG 3.48Å; D1052-K1056 PolarHBondContact O-NZ 3.48Å; D1052-K1056 VanDerWaalsContact O-NZ 3.14Å; D1052-K1056 IonicContact OD1-NZ 3.23Å; D1052-K1056 IonicContact OD2-NZ 3.59Å; D1052-K1056 PolarHBondContact OD2-NZ 3Å |
| 1053 | I | 96.8 | Very high | 95.2 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -89.2 | -36.7 | 176.9 | -67.9 | 175.8 | 0 | 0 | 0 | 111.3 | M976 A1007 L1010 S1049 I1050 E1051 L1055 K1056 F1057 | M976-I1053 HydrophobicContact SD-CB 4.39Å; M976-I1053 HydrophobicContact SD-CD1 4.47Å; M976-I1053 HydrophobicContact SD-CG2 3.72Å; A1007-I1053 HydrophobicContact CB-CG2 3.87Å; L1010-I1053 HydrophobicContact CB-CD1 3.88Å; L1010-I1053 HydrophobicContact CD2-CD1 3.68Å; L1010-I1053 HydrophobicContact CG-CD1 4.33Å; S1049-I1053 WeakPolarHBondContact O-CD1 3.41Å; S1049-I1053 VanDerWaalsContact O-CG1 3.24Å; S1049-I1053 WeakPolarHBondContact O-CG1 3.49Å; S1049-I1053 PolarHBondContact O-N 3.38Å; I1050-I1053 CarbonylContact O-C 3.58Å; I1050-I1053 PolarHBondContact O-N 2.99Å; I1050-I1053 VanDerWaalsContact O-N 3.17Å; E1051-I1053 PolarHBondContact O-N 2.94Å; I1053-L1055 VanDerWaalsContact C-N 3.31Å; I1053-L1055 PolarHBondContact O-N 3.37Å; I1053-K1056 PolarHBondContact O-N 2.76Å; I1053-K1056 VanDerWaalsContact O-N 3.13Å; I1053-F1057 HydrophobicContact CG2-CD2 3.83Å; I1053-F1057 HydrophobicContact CG2-CE2 3.64Å; I1053-F1057 WeakPolarHBondContact O-CD2 3.4Å; I1053-F1057 PolarHBondContact O-N 2.8Å; I1053-F1057 VanDerWaalsContact O-N 3.12Å |
| 1054 | S | 96.4 | Very high | 94.7 | Very high | 24 Ų | 24 | 57.7 Ų | 57.7 | 17% | 0.168 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 173.1 | 64.3 | 0 | 0 | 0 | 0 | 111.5 | I1050 E1051 K1056 F1057 D1058 | I1050-S1054 PolarHBondContact O-N 2.76Å; E1051-S1054 WeakPolarHBondContact CA-OG 3.34Å; E1051-S1054 PolarHBondContact O-N 3.14Å; E1051-S1054 PolarHBondContact O-OG 3.23Å; S1054-K1056 PolarHBondContact O-N 3.45Å; S1054-F1057 CarbonylContact O-C 3.57Å; S1054-F1057 PolarHBondContact O-N 3.19Å; S1054-D1058 VanDerWaalsContact O-CG 3.25Å; S1054-D1058 PolarHBondContact O-N 2.92Å |
| 1055 | L | 96 | Very high | 94.4 | Very high | 116 Ų | 116 | 56 Ų | 56 | 61% | 0.607 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -59 | -30.3 | 177.4 | -70.9 | 169.8 | 0 | 0 | 0 | 113.4 | E1051 I1053 E1059 | E1051-L1055 WeakPolarHBondContact O-CG 3.44Å; E1051-L1055 PolarHBondContact O-N 2.67Å; E1051-L1055 VanDerWaalsContact O-N 3.12Å; I1053-L1055 VanDerWaalsContact C-N 3.31Å; I1053-L1055 PolarHBondContact O-N 3.37Å; L1055-E1059 PolarHBondContact O-N 3.48Å |
| 1056 | K | 95.5 | Very high | 94 | Very high | 57 Ų | 57 | 53.6 Ų | 53.6 | 25% | 0.248 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -76.2 | -38.7 | 175.2 | -63.8 | 167 | -165.6 | 136.8 | 0 | 111.8 | A1003 D1052 I1053 S1054 E1059 L1060 | A1003-K1056 HydrophobicContact CB-CB 3.91Å; D1052-K1056 VanDerWaalsContact CG-NZ 3.28Å; D1052-K1056 WeakPolarHBondContact O-CD 3.49Å; D1052-K1056 WeakPolarHBondContact O-CE 3.37Å; D1052-K1056 WeakPolarHBondContact O-CG 3.48Å; D1052-K1056 PolarHBondContact O-NZ 3.48Å; D1052-K1056 VanDerWaalsContact O-NZ 3.14Å; D1052-K1056 IonicContact OD1-NZ 3.23Å; D1052-K1056 IonicContact OD2-NZ 3.59Å; D1052-K1056 PolarHBondContact OD2-NZ 3Å; I1053-K1056 PolarHBondContact O-N 2.76Å; I1053-K1056 VanDerWaalsContact O-N 3.13Å; S1054-K1056 PolarHBondContact O-N 3.45Å; K1056-E1059 PolarHBondContact O-N 3.27Å; K1056-L1060 VanDerWaalsContact O-CG 3.29Å; K1056-L1060 WeakPolarHBondContact O-CG 3.48Å; K1056-L1060 PolarHBondContact O-N 3.44Å; K1056-L1060 VanDerWaalsContact O-N 3.13Å |
| 1057 | F | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.4 | -38.4 | 171.3 | -77.6 | -71.9 | 0 | 0 | 0 | 111.4 | W979 M983 A1003 V1004 A1007 I1053 S1054 L1060 Y1061 | W979-F1057 HydrophobicContact CB-CD1 3.99Å; W979-F1057 HydrophobicContact CB-CD2 4.21Å; W979-F1057 HydrophobicContact CB-CE1 3.89Å; W979-F1057 HydrophobicContact CB-CE2 4.1Å; W979-F1057 HydrophobicContact CB-CG 4.17Å; W979-F1057 HydrophobicContact CB-CZ 3.94Å; W979-F1057 HydrophobicContact CD2-CB 4.38Å; W979-F1057 HydrophobicContact CD2-CD2 4.19Å; W979-F1057 HydrophobicContact CD2-CG 4.24Å; W979-F1057 HydrophobicContact CE3-CB 4.28Å; W979-F1057 AromaticContact CE3-CD2 3.58Å; W979-F1057 HydrophobicContact CE3-CD2 3.58Å; W979-F1057 HydrophobicContact CE3-CE2 4.14Å; W979-F1057 HydrophobicContact CE3-CG 4.05Å; W979-F1057 HydrophobicContact CG-CG 4.38Å; W979-F1057 HydrophobicContact CZ3-CD2 4.15Å; W979-F1057 WeakPolarHBondContact O-CE1 3.48Å; M983-F1057 HydrophobicContact CB-CD1 4.4Å; M983-F1057 HydrophobicContact CB-CE1 3.94Å; M983-F1057 HydrophobicContact CE-CD1 4.09Å; M983-F1057 HydrophobicContact CG-CE1 4.35Å; A1003-F1057 HydrophobicContact CB-CE1 4.48Å; A1003-F1057 HydrophobicContact CB-CZ 4.42Å; V1004-F1057 HydrophobicContact CG2-CE1 4.12Å; V1004-F1057 HydrophobicContact CG2-CZ 4.19Å; A1007-F1057 HydrophobicContact CB-CE2 3.94Å; A1007-F1057 HydrophobicContact CB-CZ 4.22Å; I1053-F1057 HydrophobicContact CG2-CD2 3.83Å; I1053-F1057 HydrophobicContact CG2-CE2 3.64Å; I1053-F1057 WeakPolarHBondContact O-CD2 3.4Å; I1053-F1057 PolarHBondContact O-N 2.8Å; I1053-F1057 VanDerWaalsContact O-N 3.12Å; S1054-F1057 CarbonylContact O-C 3.57Å; S1054-F1057 PolarHBondContact O-N 3.19Å; F1057-L1060 CarbonylContact O-C 3.59Å; F1057-L1060 WeakPolarHBondContact O-CA 3.03Å; F1057-L1060 WeakPolarHBondContact O-CB 3.46Å; F1057-L1060 PolarHBondContact O-N 3.47Å; F1057-L1060 VanDerWaalsContact O-N 3.11Å; F1057-Y1061 HydrophobicContact CB-CD2 4.32Å; F1057-Y1061 HydrophobicContact CB-CE2 4.06Å; F1057-Y1061 WeakPolarHBondContact O-CD2 3.47Å; F1057-Y1061 PolarHBondContact O-N 2.89Å |
| 1058 | D | 95.4 | Very high | 92.9 | Very high | 70 Ų | 70 | 58.4 Ų | 58.4 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 174.6 | -66.2 | -30.5 | 0 | 0 | 0 | 111.8 | S1054 L1060 Y1061 H1062 | S1054-D1058 VanDerWaalsContact O-CG 3.25Å; S1054-D1058 PolarHBondContact O-N 2.92Å; D1058-L1060 VanDerWaalsContact C-N 3.29Å; D1058-L1060 PolarHBondContact O-N 2.97Å; D1058-Y1061 PolarHBondContact O-N 3.49Å; D1058-H1062 WeakPolarHBondContact O-CB 3.45Å; D1058-H1062 PolarHBondContact O-CD2 3.3Å; D1058-H1062 VanDerWaalsContact O-CD2 3.28Å; D1058-H1062 PolarHBondContact O-N 3.3Å |
| 1059 | E | 94.4 | Very high | 91.7 | Very high | 92 Ų | 92 | 59 Ų | 59 | 43% | 0.43 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 171.6 | -169 | -171.3 | 157.4 | 0 | 0 | 111.2 | K999 L1055 K1056 H1062 L1063 | K999-E1059 WeakPolarHBondContact CE-OE1 3.35Å; K999-E1059 IonicContact NZ-OE1 3.65Å; K999-E1059 PolarHBondContact NZ-OE1 2.91Å; L1055-E1059 PolarHBondContact O-N 3.48Å; K1056-E1059 PolarHBondContact O-N 3.27Å; E1059-H1062 PolarHBondContact O-N 3.26Å; E1059-L1063 HydrophobicContact CG-CD1 4.37Å; E1059-L1063 WeakPolarHBondContact O-CG 3.48Å; E1059-L1063 PolarHBondContact O-N 3.32Å |
| 1060 | L | 93.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.8 | -37.6 | 179.3 | -71.2 | 168.7 | 0 | 0 | 0 | 113.3 | M983 K999 V1000 A1003 K1056 F1057 D1058 H1062 L1063 K1064 | M983-L1060 HydrophobicContact CE-CB 3.59Å; M983-L1060 HydrophobicContact CG-CD1 4.07Å; M983-L1060 HydrophobicContact SD-CB 3.81Å; M983-L1060 HydrophobicContact SD-CD1 4.33Å; K999-L1060 HydrophobicContact CB-CD2 3.76Å; V1000-L1060 HydrophobicContact CG2-CD1 4.15Å; V1000-L1060 HydrophobicContact CG2-CD2 3.63Å; V1000-L1060 HydrophobicContact CG2-CG 4.49Å; A1003-L1060 HydrophobicContact CB-CD1 3.49Å; A1003-L1060 VanDerWaalsContact CB-CD1 3.49Å; K1056-L1060 VanDerWaalsContact O-CG 3.29Å; K1056-L1060 WeakPolarHBondContact O-CG 3.48Å; K1056-L1060 PolarHBondContact O-N 3.44Å; K1056-L1060 VanDerWaalsContact O-N 3.13Å; F1057-L1060 CarbonylContact O-C 3.59Å; F1057-L1060 WeakPolarHBondContact O-CA 3.03Å; F1057-L1060 WeakPolarHBondContact O-CB 3.46Å; F1057-L1060 PolarHBondContact O-N 3.47Å; F1057-L1060 VanDerWaalsContact O-N 3.11Å; D1058-L1060 VanDerWaalsContact C-N 3.29Å; D1058-L1060 PolarHBondContact O-N 2.97Å; L1060-H1062 VanDerWaalsContact C-N 3.32Å; L1060-L1063 HydrophobicContact CD2-CD1 4.18Å; L1060-L1063 PolarHBondContact O-N 3.3Å; L1060-K1064 PolarHBondContact O-N 3.39Å |
| 1061 | Y | 92.8 | Very high | 88.4 | Confident | 59 Ų | 59 | 63.8 Ų | 63.8 | 23% | 0.231 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.4 | -36.2 | 170.9 | -73.3 | -61.3 | 0 | 0 | 0 | 111.4 | Q982 M983 F1057 D1058 K1064 S1065 | Q982-Y1061 PolarHBondContact OE1-OH 2.78Å; M983-Y1061 HydrophobicContact CE-CD1 4.09Å; M983-Y1061 HydrophobicContact CE-CE1 3.97Å; M983-Y1061 HydrophobicContact CE-CE2 4.4Å; M983-Y1061 HydrophobicContact CE-CG 4.36Å; F1057-Y1061 HydrophobicContact CB-CD2 4.32Å; F1057-Y1061 HydrophobicContact CB-CE2 4.06Å; F1057-Y1061 WeakPolarHBondContact O-CD2 3.47Å; F1057-Y1061 PolarHBondContact O-N 2.89Å; D1058-Y1061 PolarHBondContact O-N 3.49Å; Y1061-K1064 PolarHBondContact O-N 3.26Å; Y1061-S1065 WeakPolarHBondContact O-CB 3.37Å; Y1061-S1065 PolarHBondContact O-N 2.67Å |
| 1062 | H | 90.6 | Very high | 86.2 | Confident | 88 Ų | 88 | 64.6 Ų | 64.6 | 41% | 0.407 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 170.1 | -83.9 | -55.1 | 0 | 0 | 0 | 112.6 | D1058 E1059 L1060 S1065 N1066 | D1058-H1062 WeakPolarHBondContact O-CB 3.45Å; D1058-H1062 PolarHBondContact O-CD2 3.3Å; D1058-H1062 VanDerWaalsContact O-CD2 3.28Å; D1058-H1062 PolarHBondContact O-N 3.3Å; E1059-H1062 PolarHBondContact O-N 3.26Å; L1060-H1062 VanDerWaalsContact C-N 3.32Å; H1062-S1065 PolarHBondContact O-N 2.68Å; H1062-S1065 PolarHBondContact O-OG 2.75Å; H1062-N1066 PolarHBondContact O-N 2.9Å; H1062-N1066 PolarHBondContact O-ND2 2.85Å |
| 1063 | L | 88.9 | Confident | 83.9 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 173 | -74 | 162.8 | 0 | 0 | 0 | 111.2 | K999 E1059 L1060 S1065 N1066 W1068 | K999-L1063 HydrophobicContact CD-CD1 3.94Å; E1059-L1063 HydrophobicContact CG-CD1 4.37Å; E1059-L1063 WeakPolarHBondContact O-CG 3.48Å; E1059-L1063 PolarHBondContact O-N 3.32Å; L1060-L1063 HydrophobicContact CD2-CD1 4.18Å; L1060-L1063 PolarHBondContact O-N 3.3Å; L1063-S1065 VanDerWaalsContact C-N 3.32Å; L1063-S1065 PolarHBondContact O-N 3.29Å; L1063-N1066 CarbonylContact O-C 3.59Å; L1063-N1066 PolarHBondContact O-N 3.05Å; L1063-W1068 HydrophobicContact CB-CE3 4.2Å; L1063-W1068 VanDerWaalsContact O-CA 3.26Å; L1063-W1068 WeakPolarHBondContact O-CA 3.41Å; L1063-W1068 PolarHBondContact O-N 2.87Å |
| 1064 | K | 87.5 | Confident | 81.4 | Confident | 72 Ų | 72 | 69.4 Ų | 69.4 | 31% | 0.313 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -56.2 | -44.5 | 172.3 | -175.6 | 177.2 | 173.4 | -176.1 | 0 | 111.9 | E986 L1060 Y1061 N1066 D1067 W1068 | E986-K1064 VanDerWaalsContact CD-CE 3.47Å; E986-K1064 VanDerWaalsContact CD-NZ 3.29Å; E986-K1064 HydrophobicContact CG-CD 4.27Å; E986-K1064 VanDerWaalsContact OE1-CE 3.31Å; E986-K1064 WeakPolarHBondContact OE1-CE 3.26Å; E986-K1064 IonicContact OE1-NZ 2.62Å; E986-K1064 PolarHBondContact OE1-NZ 3.46Å; E986-K1064 VanDerWaalsContact OE2-CE 3.3Å; E986-K1064 WeakPolarHBondContact OE2-CE 3.25Å; E986-K1064 IonicContact OE2-NZ 3.59Å; L1060-K1064 PolarHBondContact O-N 3.39Å; Y1061-K1064 PolarHBondContact O-N 3.26Å; K1064-N1066 PolarHBondContact O-N 3.31Å; K1064-N1066 VanDerWaalsContact O-N 3.16Å; K1064-D1067 PolarHBondContact O-N 2.91Å; K1064-W1068 HydrophobicContact CB-CD2 4.32Å; K1064-W1068 HydrophobicContact CB-CE3 4.25Å; K1064-W1068 HydrophobicContact CB-CH2 3.59Å; K1064-W1068 HydrophobicContact CB-CZ2 3.59Å; K1064-W1068 HydrophobicContact CB-CZ3 3.91Å; K1064-W1068 HydrophobicContact CD-CH2 4.28Å; K1064-W1068 HydrophobicContact CD-CZ2 3.87Å; K1064-W1068 HydrophobicContact CG-CH2 4.01Å; K1064-W1068 HydrophobicContact CG-CZ2 3.51Å |
| 1065 | S | 88.4 | Confident | 78.9 | Confident | 68 Ų | 68 | 72.5 Ų | 72.5 | 48% | 0.476 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -3.5 | 178.8 | 78 | 0 | 0 | 0 | 0 | 114.5 | Y1061 H1062 L1063 | Y1061-S1065 WeakPolarHBondContact O-CB 3.37Å; Y1061-S1065 PolarHBondContact O-N 2.67Å; H1062-S1065 PolarHBondContact O-N 2.68Å; H1062-S1065 PolarHBondContact O-OG 2.75Å; L1063-S1065 VanDerWaalsContact C-N 3.32Å; L1063-S1065 PolarHBondContact O-N 3.29Å |
| 1066 | N | 88 | Confident | 76.5 | Confident | 70 Ų | 70 | 71.4 Ų | 71.4 | 37% | 0.374 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 34.3 | 173.7 | -71.3 | -89.4 | 0 | 0 | 0 | 110.9 | H1062 L1063 K1064 W1068 Q1069 | H1062-N1066 PolarHBondContact O-N 2.9Å; H1062-N1066 PolarHBondContact O-ND2 2.85Å; L1063-N1066 CarbonylContact O-C 3.59Å; L1063-N1066 PolarHBondContact O-N 3.05Å; K1064-N1066 PolarHBondContact O-N 3.31Å; K1064-N1066 VanDerWaalsContact O-N 3.16Å; N1066-W1068 PolarHBondContact O-N 2.91Å; N1066-Q1069 VanDerWaalsContact O-CB 3.3Å; N1066-Q1069 WeakPolarHBondContact O-CB 3.27Å; N1066-Q1069 WeakPolarHBondContact O-CG 3.41Å; N1066-Q1069 PolarHBondContact O-N 3.45Å |
| 1067 | D | 84 | Confident | 74.2 | Confident | 136 Ų | 136 | 78 Ų | 78 | 73% | 0.727 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 39.2 | 179.8 | -59.1 | -57 | 0 | 0 | 0 | 113.2 | K1064 Q1069 | K1064-D1067 PolarHBondContact O-N 2.91Å; D1067-Q1069 PolarHBondContact O-N 3.49Å; D1067-Q1069 PolarHBondContact O-NE2 3.41Å; D1067-Q1069 VanDerWaalsContact O-NE2 3.09Å |
| 1068 | W | 84.4 | Confident | 71.1 | Confident | 26 Ų | 26 | 82.9 Ų | 82.9 | 10% | 0.098 | 49% | 0.494 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 15.1 | -175.3 | -56 | 106.4 | 0 | 0 | 0 | 115.2 | M983 E986 N990 L992 V996 L1063 K1064 N1066 | M983-W1068 HydrophobicContact SD-CH2 3.73Å; M983-W1068 HydrophobicContact SD-CZ3 4.21Å; E986-W1068 HydrophobicContact CB-CH2 3.97Å; E986-W1068 HydrophobicContact CB-CZ2 3.63Å; E986-W1068 HydrophobicContact CG-CH2 4.21Å; E986-W1068 HydrophobicContact CG-CZ2 3.85Å; E986-W1068 WeakPolarHBondContact OE2-CZ2 3.49Å; N990-W1068 PolarHBondContact ND2-NE1 3.31Å; L992-W1068 HydrophobicContact CD2-CB 3.99Å; L992-W1068 HydrophobicContact CD2-CD2 3.34Å; L992-W1068 HydrophobicContact CD2-CE3 3.86Å; L992-W1068 HydrophobicContact CD2-CG 3.4Å; L992-W1068 HydrophobicContact CD2-CZ2 4.22Å; L992-W1068 HydrophobicContact CD2-CZ3 4.45Å; V996-W1068 HydrophobicContact CG1-CD2 4.48Å; V996-W1068 HydrophobicContact CG1-CE3 3.57Å; V996-W1068 HydrophobicContact CG1-CZ3 4.04Å; L1063-W1068 HydrophobicContact CB-CE3 4.2Å; L1063-W1068 VanDerWaalsContact O-CA 3.26Å; L1063-W1068 WeakPolarHBondContact O-CA 3.41Å; L1063-W1068 PolarHBondContact O-N 2.87Å; K1064-W1068 HydrophobicContact CB-CD2 4.32Å; K1064-W1068 HydrophobicContact CB-CE3 4.25Å; K1064-W1068 HydrophobicContact CB-CH2 3.59Å; K1064-W1068 HydrophobicContact CB-CZ2 3.59Å; K1064-W1068 HydrophobicContact CB-CZ3 3.91Å; K1064-W1068 HydrophobicContact CD-CH2 4.28Å; K1064-W1068 HydrophobicContact CD-CZ2 3.87Å; K1064-W1068 HydrophobicContact CG-CH2 4.01Å; K1064-W1068 HydrophobicContact CG-CZ2 3.51Å; N1066-W1068 PolarHBondContact O-N 2.91Å |
| 1069 | Q | 72.4 | Confident | 67.9 | Low | 126 Ų | 126 | 85 Ų | 85 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -76.3 | 130 | 174 | -57.6 | -52 | -62.5 | 0 | 0 | 110.1 | N1066 D1067 V1071 | N1066-Q1069 VanDerWaalsContact O-CB 3.3Å; N1066-Q1069 WeakPolarHBondContact O-CB 3.27Å; N1066-Q1069 WeakPolarHBondContact O-CG 3.41Å; N1066-Q1069 PolarHBondContact O-N 3.45Å; D1067-Q1069 PolarHBondContact O-N 3.49Å; D1067-Q1069 PolarHBondContact O-NE2 3.41Å; D1067-Q1069 VanDerWaalsContact O-NE2 3.09Å; Q1069-V1071 PolarHBondContact O-N 3.01Å |
| 1070 | P | 66.7 | Low | 65.2 | Low | 49 Ų | 49 | 86.2 Ų | 86.2 | 32% | 0.318 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 122.3 | 168.6 | -23.1 | 33.8 | 0 | 0 | 0 | 109.9 | P1072 | P1070-P1072 WeakPolarHBondContact O-CD 3.37Š|
| 1071 | V | 56.4 | Low | 62.2 | Low | 87 Ų | 87 | 95.6 Ų | 95.6 | 53% | 0.527 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -55.3 | 116.8 | 178.8 | 178.2 | 0 | 0 | 0 | 0 | 108.6 | Q1069 S1073 | Q1069-V1071 PolarHBondContact O-N 3.01Å; V1071-S1073 PolarHBondContact O-N 2.99Å |
| 1072 | P | 49.8 | Very low | 59.4 | Low | 112 Ų | 112 | 104.1 Ų | 104.1 | 73% | 0.727 | 61% | 0.606 | S | S | * | * | | | trans | -69.8 | 102.8 | -162.2 | 24 | -34 | 0 | 0 | 0 | 111.3 | P1070 G1074 | P1070-P1072 WeakPolarHBondContact O-CD 3.37Å; P1072-G1074 PolarHBondContact O-N 3.41Å |
| 1073 | S | 47.6 | Very low | 56.5 | Low | 128 Ų | 128 | 109.8 Ų | 109.8 | 90% | 0.895 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 46.8 | 178.5 | -69.4 | 0 | 0 | 0 | 0 | 113 | V1071 | V1071-S1073 PolarHBondContact O-N 2.99Š|
| 1074 | G | 46.2 | Very low | 53.7 | Low | 69 Ų | 69 | 116.4 Ų | 116.4 | 71% | 0.711 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | -10.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | P1072 | P1072-G1074 PolarHBondContact O-N 3.41Š|
| 1075 | A | 42.8 | Very low | 51.1 | Low | 88 Ų | 88 | 121.6 Ų | 121.6 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -94.6 | 6.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1076 | A | 46.7 | Very low | 48.4 | Very low | 94 Ų | 94 | 126.4 Ų | 126.4 | 78% | 0.777 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -97.7 | 10.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1077 | Q | 45.5 | Very low | 45.8 | Very low | 196 Ų | 196 | 131.6 Ų | 131.6 | 92% | 0.916 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -150.8 | 44 | 169.6 | -143.2 | 167.7 | 99.8 | 0 | 0 | 116.4 | | |
| 1078 | S | 32.4 | Very low | 43.1 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | | | trans | -142.6 | 128.4 | 155 | 54.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1079 | S | 27.7 | Very low | 40.3 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -95 | 141.8 | 170.4 | -167.3 | 0 | 0 | 0 | 0 | 108.1 | E1081 | S1079-E1081 PolarHBondContact O-N 3.17Š|
| 1080 | P | 36.8 | Very low | 38.1 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 125.7 | -161.9 | 29.1 | -35.3 | 0 | 0 | 0 | 113.4 | | |
| 1081 | E | 30.4 | Very low | 36.8 | Very low | 199 Ų | 199 | 142.8 Ų | 142.8 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 145.7 | 152.8 | -86.3 | -165.8 | 101.7 | 0 | 0 | 110.7 | S1079 | S1079-E1081 PolarHBondContact O-N 3.17Š|
| 1082 | R | 34.6 | Very low | 35.4 | Very low | 238 Ų | 238 | 143 Ų | 143 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 142 | -165.2 | -50.6 | 172.8 | -152.9 | 137.6 | 8.4 | 110.3 | | |
| 1083 | K | 28.3 | Very low | 34.4 | Very low | 206 Ų | 206 | 142.3 Ų | 142.3 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | | | trans | -115.7 | 118.5 | 160 | -149.7 | 176.9 | -174.8 | -173.9 | 0 | 107.8 | | |
| 1084 | N | 30.1 | Very low | 33.6 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | | | trans | -67.7 | 159.1 | 172.8 | -71.2 | -1.7 | 0 | 0 | 0 | 110 | | |
| 1085 | E | 33.9 | Very low | 32.7 | Very low | 181 Ų | 181 | 151.6 Ų | 151.6 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | | | trans | -59.5 | 146.5 | 167.6 | -61.8 | 166.1 | 91.7 | 0 | 0 | 111.1 | | |
| 1086 | D | 32.2 | Very low | 32.5 | Very low | 168 Ų | 168 | 153 Ų | 153 | 90% | 0.898 | 82% | 0.822 | S | S | * | * | | | trans | -158.3 | 155.2 | 132 | -121 | -34.4 | 0 | 0 | 0 | 110.5 | | |
| 1087 | K | 32.5 | Very low | 31.6 | Very low | 180 Ų | 180 | 154.5 Ų | 154.5 | 78% | 0.783 | 83% | 0.827 | S | S | * | * | | | trans | -99.2 | 129.6 | -168 | -77.1 | -171.5 | 177.9 | -175.3 | 0 | 114.7 | | |
| 1088 | E | 26.9 | Very low | 30.9 | Very low | 180 Ų | 180 | 154.8 Ų | 154.8 | 84% | 0.841 | 83% | 0.825 | S | S | * | * | | | | 45.7 | 114.8 | 124.6 | -167.4 | 169.1 | -149.3 | 0 | 0 | 120.8 | | |
| 1089 | A | 25.7 | Very low | 30.7 | Very low | 99 Ų | 99 | 157.3 Ų | 157.3 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | | | trans | -161.3 | 147.6 | 144.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 1090 | L | 26.9 | Very low | 30.9 | Very low | 173 Ų | 173 | 163 Ų | 163 | 91% | 0.906 | 84% | 0.84 | S | S | * | * | | | trans | -104.8 | 167.3 | 170.7 | -86.4 | 172.3 | 0 | 0 | 0 | 111 | | |
| 1091 | P | 40 | Very low | 31 | Very low | 119 Ų | 119 | 162.4 Ų | 162.4 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | | | trans | -97.5 | 160.1 | -154.3 | 37.1 | -37.4 | 0 | 0 | 0 | 115.6 | | |
| 1092 | A | 26.9 | Very low | 30.8 | Very low | 92 Ų | 92 | 158 Ų | 158 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | | | | -177.3 | 141.4 | 129.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1093 | S | 27.9 | Very low | 30.7 | Very low | 98 Ų | 98 | 154.7 Ų | 154.7 | 69% | 0.685 | 82% | 0.822 | S | S | * | * | | | trans | 100.4 | 145.9 | 134.7 | 88.4 | 0 | 0 | 0 | 0 | 123.2 | | |
| 1094 | K | 30.4 | Very low | 30.7 | Very low | 189 Ų | 189 | 149.3 Ų | 149.3 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | | | trans | 76.2 | 86 | 153.6 | -65.5 | 160.4 | -172.1 | 172.7 | 0 | 121.1 | | |
| 1095 | K | 28 | Very low | 30.9 | Very low | 203 Ų | 203 | 152.6 Ų | 152.6 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | | | | 16.9 | 162.6 | 109.1 | -68.6 | -177.5 | 179.8 | 176.9 | 0 | 119.2 | | |
| 1096 | P | 38.7 | Very low | 30.7 | Very low | 118 Ų | 118 | 150.2 Ų | 150.2 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | | | cis | -144.7 | 175.6 | -36 | 41.2 | -24.5 | 0 | 0 | 0 | 114.6 | | |
| 1097 | S | 28.1 | Very low | 31 | Very low | 125 Ų | 125 | 150.7 Ų | 150.7 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | | | trans | -151.2 | 154.3 | 148.3 | 62.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1098 | K | 31.1 | Very low | 31.2 | Very low | 202 Ų | 202 | 147.4 Ų | 147.4 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | | | trans | -114.6 | 141.9 | -177.6 | -61.6 | 172.2 | -179.4 | 172.3 | 0 | 110.4 | | |
| 1099 | T | 27.7 | Very low | 31.4 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 95% | 0.951 | 80% | 0.797 | S | S | * | * | | | trans | -159.5 | 144.8 | 138.7 | 14.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1100 | R | 31.7 | Very low | 31.6 | Very low | 232 Ų | 232 | 145 Ų | 145 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | | | trans | -155.5 | 131.9 | 172.9 | 173.8 | 171.4 | -175.9 | -141.2 | -3.8 | 104.1 | | |
| 1101 | P | 38.7 | Very low | 32 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | | | | -153.9 | 175.8 | 81.9 | 40.2 | -18.7 | 0 | 0 | 0 | 119.7 | | |
| 1102 | T | 27.4 | Very low | 32.4 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | | | trans | 68.7 | 108.9 | 151 | 37.5 | 0 | 0 | 0 | 0 | 122.4 | | |
| 1103 | L | 31.9 | Very low | 33.2 | Very low | 167 Ų | 167 | 141.7 Ų | 141.7 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | | 42.8 | 121.9 | 124.3 | -53.5 | 171.7 | 0 | 0 | 0 | 117.5 | | |
| 1104 | A | 28.8 | Very low | 34.1 | Very low | 94 Ų | 94 | 141.9 Ų | 141.9 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | | | | -174.8 | 164.5 | 53.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1105 | R | 32.9 | Very low | 34.8 | Very low | 215 Ų | 215 | 137 Ų | 137 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | | | trans | 60.4 | 101.1 | 142.8 | -163.7 | 157 | -162.9 | 160.7 | 10.3 | 122.2 | | |
| 1106 | E | 30.1 | Very low | 35.8 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 61% | 0.612 | 76% | 0.756 | S | S | * | * | | | trans | 68.6 | 109.6 | 137 | -73.6 | -170.7 | 103.4 | 0 | 0 | 122.8 | | |
| 1107 | K | 38.7 | Very low | 36.4 | Very low | 178 Ų | 178 | 129.8 Ų | 129.8 | 77% | 0.774 | 75% | 0.746 | S | S | * | * | | | | 107.8 | 135.1 | 112.7 | -161.2 | 172.7 | -173.8 | 172.4 | 0 | 120.1 | | |
| 1108 | S | 35.8 | Very low | 37.8 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | | | trans | 73.6 | 152.6 | 166.8 | 16.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 1109 | A | 32.3 | Very low | 39.1 | Very low | 92 Ų | 92 | 120.9 Ų | 120.9 | 76% | 0.76 | 71% | 0.713 | S | S | * | * | | | trans | 64.6 | 143.5 | 179 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1110 | D | 30 | Very low | 40.9 | Very low | 138 Ų | 138 | 115.6 Ų | 115.6 | 74% | 0.738 | 69% | 0.685 | S | S | * | * | | | cis | -151.9 | 162.9 | -16.6 | -124.4 | -36.2 | 0 | 0 | 0 | 111.3 | | |
| 1111 | S | 34.4 | Very low | 42.9 | Very low | 106 Ų | 106 | 107.8 Ų | 107.8 | 74% | 0.741 | 66% | 0.658 | S | S | * | * | | | trans | -150 | 67.5 | 176.6 | -71.1 | 0 | 0 | 0 | 0 | 112.1 | S1113 | S1111-S1113 PolarHBondContact O-N 3.37Š|
| 1112 | S | 48.3 | Very low | 44.8 | Very low | 105 Ų | 105 | 109.6 Ų | 109.6 | 73% | 0.734 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 68.5 | -167.4 | 43.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1113 | S | 45.2 | Very low | 47.1 | Very low | 103 Ų | 103 | 111.2 Ų | 111.2 | 72% | 0.72 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.7 | -6.1 | 172.8 | 63.1 | 0 | 0 | 0 | 0 | 116.2 | S1111 | S1111-S1113 PolarHBondContact O-N 3.37Š|
| 1114 | T | 45.2 | Very low | 49.4 | Very low | 101 Ų | 101 | 111.2 Ų | 111.2 | 62% | 0.62 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -110.6 | -1 | -173.9 | 50.8 | 0 | 0 | 0 | 0 | 115 | S1117 | T1114-S1117 PolarHBondContact O-OG 3.36Š|
| 1115 | S | 45.1 | Very low | 52 | Low | 88 Ų | 88 | 111 Ų | 111 | 62% | 0.615 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -77 | -30.4 | -174 | 52.8 | 0 | 0 | 0 | 0 | 114.6 | S1119 | S1115-S1119 PolarHBondContact O-N 3.47Å |
| 1116 | S | 49.1 | Very low | 54.4 | Low | 89 Ų | 89 | 104.7 Ų | 104.7 | 62% | 0.622 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.2 | -44.9 | -176.1 | 54.7 | 0 | 0 | 0 | 0 | 113 | S1119 A1120 | S1116-S1119 PolarHBondContact O-N 3.24Å; S1116-A1120 PolarHBondContact O-N 2.86Å |
| 1117 | S | 52.8 | Low | 56.9 | Low | 79 Ų | 79 | 101 Ų | 101 | 55% | 0.552 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.7 | -38.7 | 178.7 | 58.9 | 0 | 0 | 0 | 0 | 112.3 | T1114 S1119 A1120 E1121 | T1114-S1117 PolarHBondContact O-OG 3.36Å; S1117-S1119 VanDerWaalsContact C-N 3.33Å; S1117-S1119 PolarHBondContact O-N 2.82Å; S1117-A1120 PolarHBondContact O-N 3.48Å; S1117-E1121 WeakPolarHBondContact O-CB 3.26Å; S1117-E1121 PolarHBondContact O-N 3.09Å |
| 1118 | A | 57.6 | Low | 59.2 | Low | 61 Ų | 61 | 100.4 Ų | 100.4 | 50% | 0.504 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62 | -39.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1122 | A1118-K1122 WeakPolarHBondContact O-CB 3.38Å; A1118-K1122 PolarHBondContact O-N 2.93Å |
| 1119 | S | 56.8 | Low | 61.7 | Low | 79 Ų | 79 | 103 Ų | 103 | 55% | 0.552 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66 | -47.9 | 175.7 | -166.6 | 0 | 0 | 0 | 0 | 111.9 | S1115 S1116 S1117 E1121 K1122 Q1123 | S1115-S1119 PolarHBondContact O-N 3.47Å; S1116-S1119 PolarHBondContact O-N 3.24Å; S1117-S1119 VanDerWaalsContact C-N 3.33Å; S1117-S1119 PolarHBondContact O-N 2.82Å; S1119-E1121 PolarHBondContact O-N 3.5Å; S1119-K1122 PolarHBondContact O-N 3.25Å; S1119-Q1123 PolarHBondContact O-N 2.84Å |
| 1120 | A | 67.1 | Low | 64.3 | Low | 44 Ų | 44 | 106.1 Ų | 106.1 | 36% | 0.364 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.6 | -40 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1116 S1117 Q1123 R1124 | S1116-A1120 PolarHBondContact O-N 2.86Å; S1117-A1120 PolarHBondContact O-N 3.48Å; A1120-Q1123 PolarHBondContact O-N 2.86Å; A1120-R1124 WeakPolarHBondContact O-CG 3.42Å; A1120-R1124 PolarHBondContact O-N 3.4Å |
| 1121 | E | 72.6 | Confident | 67.1 | Low | 69 Ų | 69 | 105.6 Ų | 105.6 | 32% | 0.322 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71.4 | -36.1 | 176.5 | 176.7 | 54.8 | -164.4 | 0 | 0 | 112.1 | S1117 S1119 Q1123 R1124 Q1125 | S1117-E1121 WeakPolarHBondContact O-CB 3.26Å; S1117-E1121 PolarHBondContact O-N 3.09Å; S1119-E1121 PolarHBondContact O-N 3.5Å; E1121-Q1123 VanDerWaalsContact C-N 3.33Å; E1121-Q1123 PolarHBondContact O-N 3.37Å; E1121-R1124 PolarHBondContact O-N 3.39Å; E1121-Q1125 WeakPolarHBondContact O-CG 3.25Å; E1121-Q1125 PolarHBondContact O-N 3.27Å; E1121-Q1125 WeakPolarHBondContact OE1-CG 3.37Å; E1121-Q1125 PolarHBondContact OE1-NE2 3.43Å |
| 1122 | K | 78.3 | Confident | 69.5 | Low | 144 Ų | 144 | 106.2 Ų | 106.2 | 63% | 0.626 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.2 | -43.8 | 171 | -172 | 179.9 | 178.8 | -174.2 | 0 | 111 | A1118 S1119 R1124 Q1125 E1126 | A1118-K1122 WeakPolarHBondContact O-CB 3.38Å; A1118-K1122 PolarHBondContact O-N 2.93Å; S1119-K1122 PolarHBondContact O-N 3.25Å; K1122-R1124 PolarHBondContact O-N 3.4Å; K1122-Q1125 PolarHBondContact O-N 3.04Å; K1122-E1126 WeakPolarHBondContact O-CB 3.27Å; K1122-E1126 PolarHBondContact O-N 2.86Å |
| 1123 | Q | 77.1 | Confident | 71.1 | Confident | 141 Ų | 141 | 104.1 Ų | 104.1 | 66% | 0.659 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.4 | -38.7 | 176.3 | -164.8 | 177.6 | 11.7 | 0 | 0 | 112.3 | S1119 A1120 E1121 E1126 A1127 | S1119-Q1123 PolarHBondContact O-N 2.84Å; A1120-Q1123 PolarHBondContact O-N 2.86Å; E1121-Q1123 VanDerWaalsContact C-N 3.33Å; E1121-Q1123 PolarHBondContact O-N 3.37Å; Q1123-E1126 PolarHBondContact O-N 2.91Å; Q1123-A1127 WeakPolarHBondContact O-CB 3.39Å; Q1123-A1127 PolarHBondContact O-N 2.84Å |
| 1124 | R | 78.8 | Confident | 72.7 | Confident | 167 Ų | 167 | 101.9 Ų | 101.9 | 63% | 0.63 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.9 | -42.3 | 172.7 | -72.7 | 175.5 | -174.6 | -151.6 | 0.4 | 112.6 | A1120 E1121 K1122 A1127 R1128 | A1120-R1124 WeakPolarHBondContact O-CG 3.42Å; A1120-R1124 PolarHBondContact O-N 3.4Å; E1121-R1124 PolarHBondContact O-N 3.39Å; K1122-R1124 PolarHBondContact O-N 3.4Å; R1124-A1127 PolarHBondContact O-N 3.14Å; R1124-R1128 WeakPolarHBondContact O-CB 3.29Å; R1124-R1128 WeakPolarHBondContact O-CG 3.28Å; R1124-R1128 PolarHBondContact O-N 2.85Å |
| 1125 | Q | 83 | Confident | 74.4 | Confident | 90 Ų | 90 | 104.4 Ų | 104.4 | 42% | 0.421 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.5 | -38.5 | 176.8 | -70.4 | 175.2 | 20.1 | 0 | 0 | 111.8 | E1121 K1122 R1128 K1129 | E1121-Q1125 WeakPolarHBondContact O-CG 3.25Å; E1121-Q1125 PolarHBondContact O-N 3.27Å; E1121-Q1125 WeakPolarHBondContact OE1-CG 3.37Å; E1121-Q1125 PolarHBondContact OE1-NE2 3.43Å; K1122-Q1125 PolarHBondContact O-N 3.04Å; Q1125-R1128 PolarHBondContact O-N 3.11Å; Q1125-K1129 WeakPolarHBondContact O-CB 3.48Å; Q1125-K1129 PolarHBondContact O-N 2.86Å |
| 1126 | E | 84 | Confident | 75.9 | Confident | 82 Ų | 82 | 108.2 Ų | 108.2 | 38% | 0.383 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.7 | -38.5 | 176 | -153.1 | -176.9 | 129.1 | 0 | 0 | 112.1 | K1122 Q1123 K1129 R1130 | K1122-E1126 WeakPolarHBondContact O-CB 3.27Å; K1122-E1126 PolarHBondContact O-N 2.86Å; Q1123-E1126 PolarHBondContact O-N 2.91Å; E1126-K1129 PolarHBondContact O-N 2.91Å; E1126-R1130 PolarHBondContact O-N 2.84Å; E1126-R1130 IonicContact OE1-CZ 3.56Å; E1126-R1130 IonicContact OE1-NH1 3.34Å; E1126-R1130 PolarHBondContact OE1-NH1 3.39Å; E1126-R1130 IonicContact OE1-NH2 3.81Å; E1126-R1130 PolarHBondContact OE1-NH2 3.31Å |
| 1127 | A | 82.8 | Confident | 76.8 | Confident | 55 Ų | 55 | 106.7 Ų | 106.7 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1123 R1124 K1129 R1130 L1131 | Q1123-A1127 WeakPolarHBondContact O-CB 3.39Å; Q1123-A1127 PolarHBondContact O-N 2.84Å; R1124-A1127 PolarHBondContact O-N 3.14Å; A1127-K1129 VanDerWaalsContact C-N 3.34Å; A1127-K1129 PolarHBondContact O-N 3.34Å; A1127-R1130 PolarHBondContact O-N 3.23Å; A1127-L1131 WeakPolarHBondContact O-CB 3.47Å; A1127-L1131 PolarHBondContact O-N 2.84Å |
| 1128 | R | 86.8 | Confident | 77.3 | Confident | 164 Ų | 164 | 105.4 Ų | 105.4 | 62% | 0.619 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.1 | -40.9 | 172.6 | -76.5 | 171.8 | 168.9 | 168.6 | -5.4 | 112 | R1124 Q1125 L1131 L1132 | R1124-R1128 WeakPolarHBondContact O-CB 3.29Å; R1124-R1128 WeakPolarHBondContact O-CG 3.28Å; R1124-R1128 PolarHBondContact O-N 2.85Å; Q1125-R1128 PolarHBondContact O-N 3.11Å; R1128-L1131 PolarHBondContact O-N 3.13Å; R1128-L1132 WeakPolarHBondContact O-CG 3.39Å; R1128-L1132 PolarHBondContact O-N 3.35Å |
| 1129 | K | 88.8 | Confident | 77.7 | Confident | 165 Ų | 165 | 105.2 Ų | 105.2 | 72% | 0.717 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65 | -43.2 | 175.3 | -170.5 | 178.4 | 179.6 | -177.6 | 0 | 112.1 | Q1125 E1126 A1127 L1132 A1133 | Q1125-K1129 WeakPolarHBondContact O-CB 3.48Å; Q1125-K1129 PolarHBondContact O-N 2.86Å; E1126-K1129 PolarHBondContact O-N 2.91Å; A1127-K1129 VanDerWaalsContact C-N 3.34Å; A1127-K1129 PolarHBondContact O-N 3.34Å; K1129-L1132 PolarHBondContact O-N 3.06Å; K1129-A1133 WeakPolarHBondContact O-CB 3.2Å; K1129-A1133 PolarHBondContact O-N 3.29Å |
| 1130 | R | 86.8 | Confident | 77.8 | Confident | 159 Ų | 159 | 109.2 Ų | 109.2 | 60% | 0.6 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.4 | -42.1 | 174.1 | -76.6 | -166.5 | 179.5 | 82.7 | 10.4 | 112.1 | E1126 A1127 L1132 A1133 A1134 | E1126-R1130 PolarHBondContact O-N 2.84Å; E1126-R1130 IonicContact OE1-CZ 3.56Å; E1126-R1130 IonicContact OE1-NH1 3.34Å; E1126-R1130 PolarHBondContact OE1-NH1 3.39Å; E1126-R1130 IonicContact OE1-NH2 3.81Å; E1126-R1130 PolarHBondContact OE1-NH2 3.31Å; A1127-R1130 PolarHBondContact O-N 3.23Å; R1130-L1132 PolarHBondContact O-N 2.82Å; R1130-A1133 PolarHBondContact O-N 3.02Å; R1130-A1134 WeakPolarHBondContact O-CB 3.24Å; R1130-A1134 PolarHBondContact O-N 3.3Å |
| 1131 | L | 87.9 | Confident | 77.4 | Confident | 126 Ų | 126 | 116.8 Ų | 116.8 | 66% | 0.66 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.7 | -42 | 177.2 | -177.2 | 62.1 | 0 | 0 | 0 | 112.2 | A1127 R1128 A1134 K1135 | A1127-L1131 WeakPolarHBondContact O-CB 3.47Å; A1127-L1131 PolarHBondContact O-N 2.84Å; R1128-L1131 PolarHBondContact O-N 3.13Å; L1131-A1134 PolarHBondContact O-N 3.1Å; L1131-K1135 WeakPolarHBondContact O-CB 3.28Å; L1131-K1135 PolarHBondContact O-N 3.41Å |
| 1132 | L | 85.1 | Confident | 76.6 | Confident | 120 Ų | 120 | 120.5 Ų | 120.5 | 63% | 0.628 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.1 | -40.7 | 175.2 | -73.3 | 168.8 | 0 | 0 | 0 | 112.4 | R1128 K1129 R1130 K1135 K1136 | R1128-L1132 WeakPolarHBondContact O-CG 3.39Å; R1128-L1132 PolarHBondContact O-N 3.35Å; K1129-L1132 PolarHBondContact O-N 3.06Å; R1130-L1132 PolarHBondContact O-N 2.82Å; L1132-K1135 PolarHBondContact O-N 3.17Å; L1132-K1136 PolarHBondContact O-N 3.35Å |
| 1133 | A | 82.1 | Confident | 75.3 | Confident | 61 Ų | 61 | 118.7 Ų | 118.7 | 50% | 0.504 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.2 | -44.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K1129 R1130 K1135 K1136 A1137 | K1129-A1133 WeakPolarHBondContact O-CB 3.2Å; K1129-A1133 PolarHBondContact O-N 3.29Å; R1130-A1133 PolarHBondContact O-N 3.02Å; A1133-K1135 PolarHBondContact O-N 3.05Å; A1133-K1136 PolarHBondContact O-N 2.84Å; A1133-A1137 PolarHBondContact O-N 3.26Å |
| 1134 | A | 78.9 | Confident | 74.2 | Confident | 56 Ų | 56 | 115.6 Ų | 115.6 | 46% | 0.463 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.7 | -42.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R1130 L1131 K1136 A1137 A1138 | R1130-A1134 WeakPolarHBondContact O-CB 3.24Å; R1130-A1134 PolarHBondContact O-N 3.3Å; L1131-A1134 PolarHBondContact O-N 3.1Å; A1134-K1136 VanDerWaalsContact C-N 3.32Å; A1134-K1136 PolarHBondContact O-N 3.11Å; A1134-A1137 PolarHBondContact O-N 3.46Å; A1134-A1138 WeakPolarHBondContact O-CB 3.11Å; A1134-A1138 PolarHBondContact O-N 3.2Å |
| 1135 | K | 81.3 | Confident | 72.9 | Confident | 153 Ų | 153 | 111 Ų | 111 | 67% | 0.665 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.4 | -36.1 | 176.1 | -157 | 175.3 | 81.4 | 163.9 | 0 | 112.1 | L1131 L1132 A1133 S1139 | L1131-K1135 WeakPolarHBondContact O-CB 3.28Å; L1131-K1135 PolarHBondContact O-N 3.41Å; L1132-K1135 PolarHBondContact O-N 3.17Å; A1133-K1135 PolarHBondContact O-N 3.05Å; K1135-S1139 WeakPolarHBondContact O-CB 3.31Å; K1135-S1139 PolarHBondContact O-N 3.42Å |
| 1136 | K | 77.1 | Confident | 71.3 | Confident | 168 Ų | 168 | 112 Ų | 112 | 73% | 0.73 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.3 | -40.5 | 174.2 | -167 | 169.6 | -177.2 | 175.6 | 0 | 112.1 | L1132 A1133 A1134 S1139 F1140 | L1132-K1136 PolarHBondContact O-N 3.35Å; A1133-K1136 PolarHBondContact O-N 2.84Å; A1134-K1136 VanDerWaalsContact C-N 3.32Å; A1134-K1136 PolarHBondContact O-N 3.11Å; K1136-S1139 PolarHBondContact O-N 2.98Å; K1136-F1140 PolarHBondContact O-N 3.13Å |
| 1137 | A | 67.1 | Low | 69.6 | Low | 57 Ų | 57 | 116.1 Ų | 116.1 | 47% | 0.471 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.8 | -36.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | A1133 A1134 R1141 | A1133-A1137 PolarHBondContact O-N 3.26Å; A1134-A1137 PolarHBondContact O-N 3.46Å; A1137-R1141 PolarHBondContact O-N 3.32Å |
| 1138 | A | 64.1 | Low | 68.1 | Low | 52 Ų | 52 | 118.5 Ų | 118.5 | 43% | 0.43 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.5 | -43 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1134 F1140 R1141 Q1142 | A1134-A1138 WeakPolarHBondContact O-CB 3.11Å; A1134-A1138 PolarHBondContact O-N 3.2Å; A1138-F1140 VanDerWaalsContact C-N 3.33Å; A1138-F1140 PolarHBondContact O-N 3.05Å; A1138-R1141 WeakPolarHBondContact O-CB 3.48Å; A1138-R1141 PolarHBondContact O-N 2.85Å; A1138-Q1142 PolarHBondContact O-N 3.26Å; A1138-Q1142 VanDerWaalsContact O-N 3.13Å |
| 1139 | S | 65.9 | Low | 66.2 | Low | 58 Ų | 58 | 114.5 Ų | 114.5 | 41% | 0.406 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -59.8 | -40.8 | 175.3 | 173.8 | 0 | 0 | 0 | 0 | 112.4 | K1135 K1136 R1141 Q1142 N1143 | K1135-S1139 WeakPolarHBondContact O-CB 3.31Å; K1135-S1139 PolarHBondContact O-N 3.42Å; K1136-S1139 PolarHBondContact O-N 2.98Å; S1139-R1141 PolarHBondContact O-N 3.05Å; S1139-Q1142 PolarHBondContact O-N 2.75Å; S1139-Q1142 VanDerWaalsContact O-N 3.1Å; S1139-N1143 PolarHBondContact O-N 2.83Å; S1139-N1143 VanDerWaalsContact O-N 3.11Å; S1139-N1143 PolarHBondContact O-OD1 3.27Å |
| 1140 | F | 57.5 | Low | 64.4 | Low | 162 Ų | 162 | 114.2 Ų | 114.2 | 71% | 0.711 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -61.6 | -31.2 | 174.9 | -169 | -100.1 | 0 | 0 | 0 | 112.9 | K1136 A1138 S1144 | K1136-F1140 PolarHBondContact O-N 3.13Å; A1138-F1140 VanDerWaalsContact C-N 3.33Å; A1138-F1140 PolarHBondContact O-N 3.05Å; F1140-S1144 PolarHBondContact O-OG 2.72Å |
| 1141 | R | 60.1 | Low | 62.7 | Low | 204 Ų | 204 | 111.7 Ų | 111.7 | 77% | 0.77 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -79.8 | -17 | 175 | -71.6 | 178.5 | 173.7 | -92.2 | 1.1 | 114.5 | A1137 A1138 S1139 | A1137-R1141 PolarHBondContact O-N 3.32Å; A1138-R1141 WeakPolarHBondContact O-CB 3.48Å; A1138-R1141 PolarHBondContact O-N 2.85Å; S1139-R1141 PolarHBondContact O-N 3.05Å |
| 1142 | Q | 55.7 | Low | 60.6 | Low | 146 Ų | 146 | 113 Ų | 113 | 68% | 0.682 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -83.8 | -44.9 | 170.3 | -80.9 | -171.4 | -75.8 | 0 | 0 | 111.8 | A1138 S1139 S1144 A1145 | A1138-Q1142 PolarHBondContact O-N 3.26Å; A1138-Q1142 VanDerWaalsContact O-N 3.13Å; S1139-Q1142 PolarHBondContact O-N 2.75Å; S1139-Q1142 VanDerWaalsContact O-N 3.1Å; Q1142-S1144 PolarHBondContact O-N 2.92Å; Q1142-A1145 WeakPolarHBondContact O-CB 3.18Å; Q1142-A1145 PolarHBondContact O-N 2.74Å |
| 1143 | N | 51.1 | Low | 58.7 | Low | 107 Ų | 107 | 116.4 Ų | 116.4 | 57% | 0.572 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63.6 | -30.4 | -177.5 | -71.1 | 30.5 | 0 | 0 | 0 | 112.9 | S1139 A1145 T1146 | S1139-N1143 PolarHBondContact O-N 2.83Å; S1139-N1143 VanDerWaalsContact O-N 3.11Å; S1139-N1143 PolarHBondContact O-OD1 3.27Å; N1143-A1145 PolarHBondContact O-N 3.27Å; N1143-T1146 PolarHBondContact O-OG1 3.45Å; N1143-T1146 VanDerWaalsContact O-OG1 3.13Å |
| 1144 | S | 53.2 | Low | 56.8 | Low | 75 Ų | 75 | 120.8 Ų | 120.8 | 52% | 0.524 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.6 | -1.8 | 176.3 | 41.1 | 0 | 0 | 0 | 0 | 114.5 | F1140 Q1142 | F1140-S1144 PolarHBondContact O-OG 2.72Å; Q1142-S1144 PolarHBondContact O-N 2.92Å |
| 1145 | A | 51 | Low | 54.8 | Low | 72 Ų | 72 | 127.4 Ų | 127.4 | 60% | 0.595 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | -4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | Q1142 N1143 | Q1142-A1145 WeakPolarHBondContact O-CB 3.18Å; Q1142-A1145 PolarHBondContact O-N 2.74Å; N1143-A1145 PolarHBondContact O-N 3.27Å |
| 1146 | T | 49.3 | Very low | 52.8 | Low | 110 Ų | 110 | 125.4 Ų | 125.4 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -110.7 | -5.7 | -177.1 | 49.1 | 0 | 0 | 0 | 0 | 114.5 | N1143 | N1143-T1146 PolarHBondContact O-OG1 3.45Å; N1143-T1146 VanDerWaalsContact O-OG1 3.13Å |
| 1147 | E | 48.8 | Very low | 51.1 | Low | 169 Ų | 169 | 122 Ų | 122 | 79% | 0.79 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -83.2 | -15.7 | -176.1 | -161.4 | 172.5 | 154.6 | 0 | 0 | 113.4 | | |
| 1148 | S | 51.1 | Low | 49.7 | Very low | 104 Ų | 104 | 126.7 Ų | 126.7 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -95.3 | 14.3 | -173.4 | 52.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1149 | A | 48.2 | Very low | 48.5 | Very low | 80 Ų | 80 | 129.1 Ų | 129.1 | 66% | 0.661 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -105.6 | -13 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1151 | A1149-S1151 PolarHBondContact O-N 3.43Š|
| 1150 | D | 49.8 | Very low | 47.3 | Very low | 160 Ų | 160 | 133.4 Ų | 133.4 | 86% | 0.856 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -83.3 | 51.1 | -175.4 | -152.5 | 17.1 | 0 | 0 | 0 | 111.4 | | |
| 1151 | S | 51.1 | Low | 46.5 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | | | trans | -155.7 | 51 | -168.6 | -67.3 | 0 | 0 | 0 | 0 | 112.8 | A1149 | A1149-S1151 PolarHBondContact O-N 3.43Š|
| 1152 | I | 45.3 | Very low | 45.6 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 80% | 0.795 | 72% | 0.718 | S | S | * | * | | | trans | -126.4 | 107.9 | 160.8 | -60.9 | -178.3 | 0 | 0 | 0 | 108 | I1154 | I1152-I1154 PolarHBondContact O-N 3.16Š|
| 1153 | E | 44.7 | Very low | 44.6 | Very low | 190 Ų | 190 | 135.9 Ų | 135.9 | 89% | 0.888 | 75% | 0.745 | S | S | * | * | | | trans | -63.2 | 128.5 | 169.2 | -63.2 | 178.1 | 129.1 | 0 | 0 | 109.3 | Y1155 | E1153-Y1155 VanDerWaalsContact C-N 3.31Å; E1153-Y1155 PolarHBondContact O-N 2.94Å |
| 1154 | I | 40.9 | Very low | 44.2 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | trans | -74.3 | 92.2 | 171 | -59.4 | 178.4 | 0 | 0 | 0 | 107.5 | I1152 V1156 | I1152-I1154 PolarHBondContact O-N 3.16Å; I1154-V1156 HydrophobicContact CG2-CG2 4.32Å; I1154-V1156 PolarHBondContact O-N 3.18Å |
| 1155 | Y | 36.8 | Very low | 43.8 | Very low | 196 Ų | 196 | 140.6 Ų | 140.6 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | | | trans | -59.3 | 116.3 | 163.3 | -179.4 | -95.1 | 0 | 0 | 0 | 108.3 | E1153 P1157 | E1153-Y1155 VanDerWaalsContact C-N 3.31Å; E1153-Y1155 PolarHBondContact O-N 2.94Å; Y1155-P1157 HydrophobicContact CD1-CG 4.25Å; Y1155-P1157 HydrophobicContact CE1-CG 4.29Å; Y1155-P1157 WeakPolarHBondContact O-CD 3.34Å |
| 1156 | V | 40.8 | Very low | 43.4 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 67% | 0.667 | 78% | 0.775 | S | S | * | * | | | trans | -92.5 | 111.8 | 176.8 | 176.6 | 0 | 0 | 0 | 0 | 108.4 | I1154 E1158 | I1154-V1156 HydrophobicContact CG2-CG2 4.32Å; I1154-V1156 PolarHBondContact O-N 3.18Å; V1156-E1158 PolarHBondContact O-N 3.15Å |
| 1157 | P | 41.5 | Very low | 43 | Very low | 98 Ų | 98 | 146.4 Ų | 146.4 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | | | trans | -71.7 | 115.4 | 165.3 | -9.2 | 27.4 | 0 | 0 | 0 | 107.7 | Y1155 A1159 | Y1155-P1157 HydrophobicContact CD1-CG 4.25Å; Y1155-P1157 HydrophobicContact CE1-CG 4.29Å; Y1155-P1157 WeakPolarHBondContact O-CD 3.34Å; P1157-A1159 PolarHBondContact O-N 3.28Å; P1157-A1159 VanDerWaalsContact O-N 3.15Å |
| 1158 | E | 38.1 | Very low | 42.7 | Very low | 155 Ų | 155 | 145 Ų | 145 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | | | trans | -66.9 | 109.8 | 177.5 | -179 | 171.4 | -144.4 | 0 | 0 | 110.6 | V1156 Q1160 | V1156-E1158 PolarHBondContact O-N 3.15Å; E1158-Q1160 HydrophobicContact CG-CB 4.03Å |
| 1159 | A | 38.8 | Very low | 42.1 | Very low | 103 Ų | 103 | 147.7 Ų | 147.7 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | | | trans | -113.5 | 60 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | P1157 | P1157-A1159 PolarHBondContact O-N 3.28Å; P1157-A1159 VanDerWaalsContact O-N 3.15Å |
| 1160 | Q | 39.6 | Very low | 41.7 | Very low | 147 Ų | 147 | 152.6 Ų | 152.6 | 69% | 0.687 | 79% | 0.793 | S | S | * | * | | | trans | -71.9 | 131.5 | 179.6 | -135.3 | -172 | 51.3 | 0 | 0 | 110.9 | E1158 | E1158-Q1160 HydrophobicContact CG-CB 4.03Š|
| 1161 | T | 41.3 | Very low | 41 | Very low | 98 Ų | 98 | 152 Ų | 152 | 60% | 0.601 | 79% | 0.788 | S | S | * | * | | | trans | 16.4 | 117.4 | 148.9 | 57.1 | 0 | 0 | 0 | 0 | 118.8 | | |
| 1162 | R | 40.4 | Very low | 40.2 | Very low | 230 Ų | 230 | 155.9 Ų | 155.9 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | | | | -172.6 | 148.7 | 110.2 | -92.6 | 146.4 | -168.8 | -130.1 | 0.8 | 109.1 | | |
| 1163 | L | 34.2 | Very low | 39.7 | Very low | 236 Ų | 236 | 156 Ų | 156 | 100% | 1.236 | 79% | 0.792 | S | S | * | * | | | cis | -100.3 | 0 | 5.2 | -72.1 | 158.8 | 0 | 0 | 0 | 112.1 | | |