| 1 | V | 48.2 | Very low | 44.1 | Very low | 203 Ų | 203 | 168.5 Ų | 168.5 | 100% | 1.23 | 90% | 0.898 | S | S | * | * | | | | 0 | 84.7 | 0 | -174 | 0 | 0 | 0 | 0 | 109.4 | | |
| 2 | R | 45.7 | Very low | 43.6 | Very low | 254 Ų | 254 | 160.8 Ų | 160.8 | 96% | 0.958 | 89% | 0.887 | S | S | * | * | | | trans | -155.6 | 43.2 | 178.1 | -159.6 | -175.3 | -72.5 | -164.7 | -0.4 | 111.7 | | |
| 3 | A | 46 | Very low | 43.1 | Very low | 101 Ų | 101 | 161.6 Ų | 161.6 | 84% | 0.835 | 89% | 0.888 | S | S | * | * | | | trans | -169 | 79.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 4 | A | 45.6 | Very low | 42.5 | Very low | 98 Ų | 98 | 157.1 Ų | 157.1 | 81% | 0.81 | 88% | 0.883 | S | S | * | * | | | trans | 178.5 | 79.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 5 | R | 46.1 | Very low | 42 | Very low | 247 Ų | 247 | 161.2 Ų | 161.2 | 93% | 0.932 | 88% | 0.881 | S | S | * | * | | | trans | 177.4 | 47.2 | 146.7 | -103.8 | 177.5 | 172.3 | 174.6 | -1.9 | 114.8 | | |
| 6 | E | 46.6 | Very low | 42.4 | Very low | 193 Ų | 193 | 157.6 Ų | 157.6 | 90% | 0.902 | 87% | 0.868 | S | S | * | * | | | trans | -88 | 96.5 | 147.5 | -73.2 | -169.1 | 145.2 | 0 | 0 | 107.7 | | |
| 7 | Q | 43.1 | Very low | 42.5 | Very low | 186 Ų | 186 | 155.7 Ų | 155.7 | 87% | 0.869 | 87% | 0.865 | S | S | * | * | | | trans | 174.9 | 91.8 | 156.6 | -102.7 | 175.1 | 18.5 | 0 | 0 | 110.5 | | |
| 8 | I | 44.2 | Very low | 42.3 | Very low | 173 Ų | 173 | 155.8 Ų | 155.8 | 89% | 0.887 | 86% | 0.863 | S | S | * | * | | | | -162 | 120.4 | 126.8 | 33.1 | 169.8 | 0 | 0 | 0 | 106.9 | | |
| 9 | N | 36.2 | Very low | 42.2 | Very low | 164 Ų | 164 | 153.9 Ų | 153.9 | 88% | 0.877 | 86% | 0.858 | S | S | * | * | | | trans | -138 | 95.1 | 174.4 | -168.8 | 6 | 0 | 0 | 0 | 109.4 | | |
| 10 | I | 44.3 | Very low | 41.9 | Very low | 164 Ų | 164 | 155.1 Ų | 155.1 | 84% | 0.841 | 86% | 0.862 | S | S | * | * | | | trans | -142.6 | 116 | 174.4 | -83.6 | 160.2 | 0 | 0 | 0 | 101.6 | | |
| 11 | G | 38.9 | Very low | 41.7 | Very low | 71 Ų | 71 | 156.6 Ų | 156.6 | 73% | 0.732 | 86% | 0.862 | S | S | * | * | | | | 85.7 | 105.5 | 70.9 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 12 | G | 37.8 | Very low | 41.1 | Very low | 75 Ų | 75 | 155.5 Ų | 155.5 | 77% | 0.773 | 84% | 0.843 | S | S | * | * | | | cis | 134.9 | 80.8 | 8.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 13 | L | 37.9 | Very low | 40.7 | Very low | 172 Ų | 172 | 147.5 Ų | 147.5 | 90% | 0.901 | 83% | 0.832 | S | S | * | * | | | trans | -133.3 | 130.1 | 174.1 | -72.5 | 176.6 | 0 | 0 | 0 | 109 | | |
| 14 | A | 34.2 | Very low | 40.8 | Very low | 99 Ų | 99 | 148.4 Ų | 148.4 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | | | trans | -101 | 147.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 15 | Y | 34.8 | Very low | 40.4 | Very low | 218 Ų | 218 | 150 Ų | 150 | 86% | 0.855 | 83% | 0.831 | S | S | * | * | | | trans | -112 | 140.4 | 164.3 | -82.9 | -89.8 | 0 | 0 | 0 | 109.3 | | |
| 16 | P | 49.1 | Very low | 39.9 | Very low | 103 Ų | 103 | 149 Ų | 149 | 67% | 0.669 | 83% | 0.828 | S | S | * | * | | | trans | -79.1 | 146.2 | -175.7 | 32 | -35.1 | 0 | 0 | 0 | 112.1 | | |
| 17 | P | 43.5 | Very low | 39.8 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | | | trans | -73.6 | 140.2 | 165.7 | 32 | -33 | 0 | 0 | 0 | 110.2 | | |
| 18 | L | 39.3 | Very low | 39.5 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | | | trans | -113.7 | 151 | 169.6 | -74.3 | 178 | 0 | 0 | 0 | 110.3 | | |
| 19 | P | 40.8 | Very low | 38.9 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | | | trans | -82.1 | 149.4 | -153.3 | 31 | -36.7 | 0 | 0 | 0 | 114.3 | | |
| 20 | L | 35.2 | Very low | 38.8 | Very low | 178 Ų | 178 | 135.3 Ų | 135.3 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | | | trans | -62 | 143.3 | 158.3 | -77.3 | 164.3 | 0 | 0 | 0 | 110 | | |
| 21 | H | 38.8 | Very low | 38.1 | Very low | 186 Ų | 186 | 138.5 Ų | 138.5 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | | | trans | -125.8 | 141.1 | 165 | -159.7 | 72.1 | 0 | 0 | 0 | 109.8 | | |
| 22 | E | 34.7 | Very low | 37.7 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | | | trans | -84.2 | 150.2 | -169.1 | -163.4 | 171.9 | 108.8 | 0 | 0 | 111.9 | | |
| 23 | A | 36.9 | Very low | 37.3 | Very low | 87 Ų | 87 | 143.4 Ų | 143.4 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | | | trans | -114.1 | 125.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 24 | P | 49.1 | Very low | 37.5 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 154.3 | -174.8 | -22.6 | 34 | 0 | 0 | 0 | 115 | | |
| 25 | P | 37.9 | Very low | 37.3 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 143.5 | -179.9 | 29.6 | -35.8 | 0 | 0 | 0 | 112.7 | | |
| 26 | R | 34.6 | Very low | 36.9 | Very low | 226 Ų | 226 | 135.5 Ų | 135.5 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -103 | 132 | 177.3 | -168.1 | 175.2 | -71.5 | 128.8 | -3.2 | 110.6 | | |
| 27 | P | 44.9 | Very low | 36 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 159.1 | -172.5 | 30.9 | -36.8 | 0 | 0 | 0 | 113.9 | | |
| 28 | P | 36 | Very low | 35.2 | Very low | 132 Ų | 132 | 137.2 Ų | 137.2 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 149.7 | 176.8 | 34.1 | -35.4 | 0 | 0 | 0 | 113.2 | | |
| 29 | S | 32.3 | Very low | 34.7 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | | | trans | -153.9 | 143.6 | 166.1 | -172.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 30 | G | 32.8 | Very low | 34.1 | Very low | 59 Ų | 59 | 135.6 Ų | 135.6 | 61% | 0.608 | 80% | 0.803 | S | S | * | * | | | cis | 148.7 | 134.2 | -4.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 31 | Y | 29.8 | Very low | 33.8 | Very low | 231 Ų | 231 | 132.9 Ų | 132.9 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | | | trans | 65.2 | 154.6 | 177.5 | -88 | -124.5 | 0 | 0 | 0 | 116.5 | | |
| 32 | S | 31.1 | Very low | 33.4 | Very low | 77 Ų | 77 | 128.9 Ų | 128.9 | 54% | 0.538 | 80% | 0.799 | S | S | . | * | | | cis | -167.9 | 139.9 | -26.3 | -96.9 | 0 | 0 | 0 | 0 | 106.9 | | |
| 33 | Q | 30.4 | Very low | 33.2 | Very low | 171 Ų | 171 | 126 Ų | 126 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | | | | 59.8 | 140.3 | 69.7 | -65.8 | -70.3 | -8.9 | 0 | 0 | 114.5 | | |
| 34 | P | 42.2 | Very low | 32.7 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | | | cis | -133.9 | -154.6 | -7.3 | 42.4 | -22.8 | 0 | 0 | 0 | 113.7 | | |
| 35 | A | 28.7 | Very low | 32 | Very low | 95 Ų | 95 | 133.2 Ų | 133.2 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | | | trans | -129.3 | 168.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 36 | S | 27.3 | Very low | 31.7 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | -166.3 | 130.6 | 153.8 | -81.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 37 | V | 29.5 | Very low | 32.4 | Very low | 137 Ų | 137 | 125.3 Ų | 125.3 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | | | | 66.9 | 113.2 | 69.8 | 178.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 38 | C | 26.9 | Very low | 32 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 86% | 0.858 | 81% | 0.806 | S | S | * | * | | | trans | -174.3 | 147.9 | 134.8 | -109.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 39 | S | 28.5 | Very low | 32.6 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | | | trans | -119.3 | 156.4 | 170.1 | -50.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 40 | S | 28.5 | Very low | 32.6 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | trans | -167.3 | 153.7 | 151.4 | -88.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 41 | S | 29.4 | Very low | 32.6 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | trans | -100.9 | 161.9 | -177.9 | -45.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 42 | A | 30.2 | Very low | 32.7 | Very low | 102 Ų | 102 | 123.4 Ų | 123.4 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | | | trans | -145.3 | 148.6 | 158 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 43 | S | 29.8 | Very low | 33 | Very low | 120 Ų | 120 | 126.6 Ų | 126.6 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | | | trans | -141.5 | 145.7 | 177 | -54.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 44 | F | 27.1 | Very low | 33.3 | Very low | 207 Ų | 207 | 123.4 Ų | 123.4 | 91% | 0.908 | 82% | 0.817 | S | S | * | * | | | trans | -149.3 | 160.9 | 169.3 | -158.9 | -102.5 | 0 | 0 | 0 | 111.4 | | |
| 45 | N | 34.9 | Very low | 33.2 | Very low | 150 Ų | 150 | 123.7 Ų | 123.7 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | | | trans | -153.8 | 128.4 | -155.6 | -158.2 | -9.1 | 0 | 0 | 0 | 115.1 | | |
| 46 | G | 31 | Very low | 33.4 | Very low | 62 Ų | 62 | 127.8 Ų | 127.8 | 64% | 0.639 | 82% | 0.821 | S | S | * | * | | | trans | 72.1 | 174.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 47 | P | 48.9 | Very low | 34.6 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 84% | 0.844 | 81% | 0.812 | S | S | * | * | | | cis | -129.8 | 178.3 | -7.9 | 41.2 | -25.1 | 0 | 0 | 0 | 115.7 | | |
| 48 | F | 37.3 | Very low | 34.7 | Very low | 204 Ų | 204 | 128.8 Ų | 128.8 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | | | trans | -87.7 | 157 | 177.4 | -71.5 | -81.7 | 0 | 0 | 0 | 114.1 | | |
| 49 | P | 48.9 | Very low | 35 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | | | | -140.4 | 179.7 | 83.6 | 38.6 | -22.9 | 0 | 0 | 0 | 114.1 | | |
| 50 | G | 31.3 | Very low | 35.4 | Very low | 79 Ų | 79 | 127.7 Ų | 127.7 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | | | cis | 149 | 120.8 | -10.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 51 | G | 32.3 | Very low | 35.6 | Very low | 71 Ų | 71 | 131.2 Ų | 131.2 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | | | trans | 94.4 | 161.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 52 | V | 32.3 | Very low | 35.7 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | | | cis | -161.7 | 151.5 | -3.8 | -106.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 53 | V | 36.7 | Very low | 36 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 87% | 0.873 | 79% | 0.792 | S | S | * | * | | | trans | 70.2 | 146.8 | 155.1 | 173.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 54 | S | 37.7 | Very low | 36.2 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | -134.4 | 154.2 | 178.4 | 167.8 | 0 | 0 | 0 | 0 | 110 | | |
| 55 | P | 40 | Very low | 36.7 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | trans | -122.7 | 120.1 | 162.7 | 34.6 | -20.8 | 0 | 0 | 0 | 114.5 | | |
| 56 | Q | 32.7 | Very low | 36.9 | Very low | 181 Ų | 181 | 129.5 Ų | 129.5 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | | | trans | -78.6 | 179.2 | 142.4 | -108.5 | -166.3 | -11.8 | 0 | 0 | 109.1 | | |
| 57 | P | 53.7 | Low | 37.2 | Very low | 89 Ų | 89 | 129.7 Ų | 129.7 | 58% | 0.578 | 79% | 0.788 | S | S | * | * | | | cis | -125.9 | -162 | 9.8 | 39.9 | -18.8 | 0 | 0 | 0 | 112 | | |
| 58 | H | 30.3 | Very low | 37 | Very low | 181 Ų | 181 | 129.2 Ų | 129.2 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | | -152.3 | 167.7 | 64.2 | -87.3 | -89.8 | 0 | 0 | 0 | 112.5 | | |
| 59 | S | 34.4 | Very low | 37 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | -130.6 | 144 | -171.9 | 173.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 60 | S | 36.1 | Very low | 36.2 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -164.8 | 148.6 | 155.6 | 56.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 61 | Y | 32.8 | Very low | 37 | Very low | 204 Ų | 204 | 129.7 Ų | 129.7 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | | | cis | 171 | 138.8 | -34.9 | -129.7 | -84.8 | 0 | 0 | 0 | 104.2 | | |
| 62 | Y | 31.9 | Very low | 37 | Very low | 205 Ų | 205 | 135.3 Ų | 135.3 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | 68.7 | 109.3 | 166.3 | -124.4 | -121.7 | 0 | 0 | 0 | 117.7 | | |
| 63 | S | 36.6 | Very low | 37 | Very low | 100 Ų | 100 | 139.9 Ų | 139.9 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | | 73.9 | 140.3 | 82 | -58 | 0 | 0 | 0 | 0 | 114 | | |
| 64 | G | 33.9 | Very low | 37.1 | Very low | 67 Ų | 67 | 140.4 Ų | 140.4 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | | | cis | -170.1 | 166 | -2.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 65 | L | 37.8 | Very low | 36.8 | Very low | 168 Ų | 168 | 146.1 Ų | 146.1 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | | | | 178.1 | 155 | 72 | -82.6 | 161.3 | 0 | 0 | 0 | 108.5 | | |
| 66 | S | 38.9 | Very low | 36.5 | Very low | 125 Ų | 125 | 147.2 Ų | 147.2 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | | | trans | 46 | 128.8 | 160.8 | 55.7 | 0 | 0 | 0 | 0 | 119.7 | | |
| 67 | G | 36.3 | Very low | 36.4 | Very low | 65 Ų | 65 | 144.9 Ų | 144.9 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | | | cis | -163.9 | -162.6 | 22.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 68 | P | 45 | Very low | 35.3 | Very low | 121 Ų | 121 | 146.8 Ų | 146.8 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | | | trans | -70.9 | 136.5 | -147.2 | -18.3 | 32.9 | 0 | 0 | 0 | 114.9 | | |
| 69 | Q | 36.3 | Very low | 35.4 | Very low | 173 Ų | 173 | 143.7 Ų | 143.7 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | | | | 63.9 | 137 | 72.2 | -62.5 | -177.3 | 26.1 | 0 | 0 | 114 | | |
| 70 | H | 33.7 | Very low | 35 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | cis | -154.2 | -171.2 | -2.4 | -130 | -144.6 | 0 | 0 | 0 | 110 | | |
| 71 | P | 46.9 | Very low | 34.9 | Very low | 82 Ų | 82 | 145.2 Ų | 145.2 | 53% | 0.532 | 78% | 0.776 | S | S | . | * | | | trans | -133.6 | -157.8 | -136.4 | 41.3 | -17.3 | 0 | 0 | 0 | 114.7 | | |
| 72 | F | 32.1 | Very low | 34.8 | Very low | 189 Ų | 189 | 142 Ų | 142 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | | | trans | -0.1 | 118.9 | 160.7 | -66.8 | -76.2 | 0 | 0 | 0 | 119 | | |
| 73 | Y | 33.1 | Very low | 35 | Very low | 234 Ų | 234 | 140.2 Ų | 140.2 | 92% | 0.918 | 77% | 0.77 | S | S | * | * | | | trans | -116.5 | 94.8 | 138.8 | -79.9 | -78.7 | 0 | 0 | 0 | 110.3 | | |
| 74 | N | 38 | Very low | 35 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | | | trans | -132.9 | 90.7 | 150.2 | -170.3 | 8.7 | 0 | 0 | 0 | 107.7 | | |
| 75 | R | 32.6 | Very low | 35.1 | Very low | 223 Ų | 223 | 150.9 Ų | 150.9 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | | | trans | -151.6 | 129.8 | 173.1 | -165.1 | -180 | -64.3 | -91.3 | -1.5 | 110.8 | | |
| 76 | L | 34.1 | Very low | 35.3 | Very low | 146 Ų | 146 | 152 Ų | 152 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | | | trans | -39 | 129.3 | 161.2 | 177.1 | 70.1 | 0 | 0 | 0 | 112.8 | D78 | L76-D78 HydrophobicContact CD1-CB 4.23Å; L76-D78 HydrophobicContact CG-CB 4.39Å |
| 77 | C | 30 | Very low | 34.9 | Very low | 132 Ų | 132 | 151 Ų | 151 | 89% | 0.892 | 78% | 0.78 | S | S | * | * | | | trans | -118.2 | 88.3 | 157.4 | -78.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 78 | D | 30.9 | Very low | 34.7 | Very low | 130 Ų | 130 | 153.3 Ų | 153.3 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | | | trans | -94.8 | 133.5 | 156.2 | -170.5 | -7.8 | 0 | 0 | 0 | 108.2 | L76 | L76-D78 HydrophobicContact CD1-CB 4.23Å; L76-D78 HydrophobicContact CG-CB 4.39Å |
| 79 | S | 31.4 | Very low | 34.5 | Very low | 116 Ų | 116 | 153.9 Ų | 153.9 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | | | trans | -163.6 | 104.2 | 171.4 | -78.9 | 0 | 0 | 0 | 0 | 110 | | |
| 80 | G | 27.5 | Very low | 35.1 | Very low | 55 Ų | 55 | 150.9 Ų | 150.9 | 57% | 0.567 | 78% | 0.782 | S | S | * | * | | | trans | -62.6 | 176.9 | 155 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 81 | F | 32.8 | Very low | 35.3 | Very low | 193 Ų | 193 | 146.9 Ų | 146.9 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | cis | -141.1 | 139.9 | 17.6 | -65.9 | -113.1 | 0 | 0 | 0 | 107.5 | | |
| 82 | N | 30.9 | Very low | 34.9 | Very low | 137 Ų | 137 | 149.8 Ų | 149.8 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | | | | 173.9 | 157.8 | 75 | -101.3 | -57 | 0 | 0 | 0 | 107.9 | | |
| 83 | K | 35.4 | Very low | 35.6 | Very low | 167 Ų | 167 | 144.2 Ų | 144.2 | 73% | 0.726 | 79% | 0.79 | S | S | * | * | | | cis | -166.7 | 167.9 | -13 | -153 | -173.9 | 174.8 | -177.4 | 0 | 109.8 | | |
| 84 | Q | 37.6 | Very low | 36.4 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | trans | 62 | 65.2 | 144.8 | -151.2 | 86.6 | 24.9 | 0 | 0 | 120 | | |
| 85 | R | 35.9 | Very low | 37.8 | Very low | 241 Ų | 241 | 136.5 Ų | 136.5 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | | | | -168.5 | 164.2 | 117.4 | -108.1 | 174.9 | -177.4 | -106.2 | -0.4 | 112.7 | | |
| 86 | Q | 41.1 | Very low | 40.3 | Very low | 193 Ų | 193 | 129.7 Ų | 129.7 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | | | trans | -95.2 | 128.1 | -171.1 | -62.2 | 149.3 | -68.3 | 0 | 0 | 111.9 | | |
| 87 | A | 31.6 | Very low | 42.9 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 84% | 0.843 | 74% | 0.739 | S | S | * | * | | | trans | -156.5 | 140.1 | 146.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 88 | S | 31 | Very low | 46 | Very low | 114 Ų | 114 | 120.1 Ų | 120.1 | 80% | 0.797 | 70% | 0.698 | S | S | * | * | | | trans | -89.8 | 134 | -176.8 | 52.6 | 0 | 0 | 0 | 0 | 112 | P90 | S88-P90 WeakPolarHBondContact O-CD 3.3Š|
| 89 | V | 42.4 | Very low | 49 | Very low | 134 Ų | 134 | 115.2 Ų | 115.2 | 81% | 0.812 | 67% | 0.674 | S | S | * | * | | | trans | -88.8 | 117.9 | 164.1 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | A91 | V89-A91 PolarHBondContact O-N 3.44Š|
| 90 | P | 48.7 | Very low | 52 | Low | 110 Ų | 110 | 112.8 Ų | 112.8 | 71% | 0.714 | 66% | 0.657 | S | S | * | * | | | trans | -73.1 | 113.9 | 158.2 | 30.4 | -29.1 | 0 | 0 | 0 | 107.1 | S88 | S88-P90 WeakPolarHBondContact O-CD 3.3Š|
| 91 | A | 36.4 | Very low | 55.3 | Low | 82 Ų | 82 | 110.5 Ų | 110.5 | 68% | 0.678 | 63% | 0.632 | S | S | * | * | | | | 63.2 | 122 | 69.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V89 G93 | V89-A91 PolarHBondContact O-N 3.44Å; A91-G93 PolarHBondContact O-N 2.73Å |
| 92 | T | 40.4 | Very low | 58.4 | Low | 143 Ų | 143 | 104.8 Ų | 104.8 | 88% | 0.877 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -37.8 | 118.6 | 179.8 | 47.2 | 0 | 0 | 0 | 0 | 112.4 | T94 | T92-T94 PolarHBondContact O-N 2.76Š|
| 93 | G | 44.9 | Very low | 61.6 | Low | 72 Ų | 72 | 99.2 Ų | 99.2 | 74% | 0.742 | 58% | 0.583 | S | S | * | * | | | trans | -59.4 | 120.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A91 | A91-G93 PolarHBondContact O-N 2.73Š|
| 94 | T | 51.2 | Low | 64.6 | Low | 121 Ų | 121 | 95.5 Ų | 95.5 | 74% | 0.742 | 57% | 0.571 | S | S | * | * | | | trans | -59.3 | 135.5 | 157 | 44.4 | 0 | 0 | 0 | 0 | 108.4 | T92 L96 | T92-T94 PolarHBondContact O-N 2.76Å; T94-L96 VanDerWaalsContact C-N 3.29Å; T94-L96 PolarHBondContact O-N 3.46Å |
| 95 | S | 67.6 | Low | 67.4 | Low | 105 Ų | 105 | 90.6 Ų | 90.6 | 73% | 0.734 | 55% | 0.549 | S | S | * | . | | | trans | -68.5 | 88.3 | 176.6 | -65.3 | 0 | 0 | 0 | 0 | 110.1 | L97 | S95-L97 PolarHBondContact O-N 3.39Š|
| 96 | L | 83.4 | Confident | 70.3 | Confident | 81 Ų | 81 | 79.2 Ų | 79.2 | 42% | 0.424 | 51% | 0.507 | S | S | . | . | | | trans | -62.3 | 122.3 | 173.7 | -76 | 168.2 | 0 | 0 | 0 | 109.5 | T94 L98 M101 I105 M167 | T94-L96 VanDerWaalsContact C-N 3.29Å; T94-L96 PolarHBondContact O-N 3.46Å; L96-L98 PolarHBondContact O-N 2.87Å; L96-M101 HydrophobicContact CB-CE 3.75Å; L96-I105 HydrophobicContact CD1-CG2 4.38Å; L96-M167 VanDerWaalsContact O-CE 3.24Å; L96-M167 WeakPolarHBondContact O-CE 3.4Å |
| 97 | L | 90.5 | Very high | 73 | Confident | 73 Ų | 73 | 70.1 Ų | 70.1 | 38% | 0.382 | 46% | 0.464 | S | S | . | . | | | trans | -51.8 | 134 | 172.4 | -104.3 | 72.6 | 0 | 0 | 0 | 110.4 | S95 S99 S100 E171 V174 | S95-L97 PolarHBondContact O-N 3.39Å; L97-S99 VanDerWaalsContact C-N 3.32Å; L97-S99 PolarHBondContact O-N 3.32Å; L97-S100 WeakPolarHBondContact O-CB 3.25Å; L97-S100 PolarHBondContact O-N 3.23Å; L97-S100 PolarHBondContact O-OG 2.63Å; L97-E171 VanDerWaalsContact C-OE1 3.28Å; L97-E171 WeakPolarHBondContact CB-OE1 3.41Å; L97-E171 HydrophobicContact CD2-CG 4.33Å; L97-E171 HydrophobicContact CG-CG 4.15Å; L97-E171 WeakPolarHBondContact CG-OE1 3.48Å; L97-V174 HydrophobicContact CD1-CB 4.43Å; L97-V174 HydrophobicContact CD1-CG1 4Å |
| 98 | L | 94.3 | Very high | 76.1 | Confident | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.016 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -54.1 | -49.1 | -178.5 | -177.8 | 56.7 | 0 | 0 | 0 | 110.9 | L96 S100 M101 G135 L138 A139 M167 R168 E171 | L96-L98 PolarHBondContact O-N 2.87Å; L98-S100 PolarHBondContact O-N 2.84Å; L98-M101 HydrophobicContact CD1-SD 4.43Å; L98-M101 PolarHBondContact O-N 2.65Å; L98-G135 CarbonylContact O-C 3.59Å; L98-G135 VanDerWaalsContact O-C 3.31Å; L98-G135 WeakPolarHBondContact O-CA 3.28Å; L98-L138 HydrophobicContact CD1-CB 3.97Å; L98-L138 HydrophobicContact CD2-CB 4.39Å; L98-L138 HydrophobicContact CG-CB 4.37Å; L98-A139 HydrophobicContact CD2-CB 4.09Å; L98-A139 HydrophobicContact CG-CB 4.2Å; L98-M167 HydrophobicContact CB-CB 4.14Å; L98-M167 HydrophobicContact CB-CE 4.09Å; L98-M167 HydrophobicContact CD1-CB 4Å; L98-M167 HydrophobicContact CD1-CE 4.15Å; L98-M167 HydrophobicContact CD1-SD 4.01Å; L98-M167 HydrophobicContact CD2-CB 3.89Å; L98-M167 HydrophobicContact CG-CB 4.22Å; L98-R168 HydrophobicContact CD2-CG 3.67Å; L98-E171 HydrophobicContact CB-CB 4.48Å; L98-E171 PolarHBondContact N-OE1 3.06Å |
| 99 | S | 94.8 | Very high | 79.2 | Confident | 27 Ų | 27 | 68.1 Ų | 68.1 | 19% | 0.189 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -62.3 | -10.2 | 177 | -69.5 | 0 | 0 | 0 | 0 | 115 | L97 R136 A139 E171 | L97-S99 VanDerWaalsContact C-N 3.32Å; L97-S99 PolarHBondContact O-N 3.32Å; S99-R136 WeakPolarHBondContact O-CG 3.14Å; S99-A139 WeakPolarHBondContact OG-CB 3.17Å; S99-E171 WeakPolarHBondContact CB-OE1 3.43Å; S99-E171 VanDerWaalsContact CB-OE2 3.28Å; S99-E171 WeakPolarHBondContact CB-OE2 3.23Å; S99-E171 VanDerWaalsContact N-CD 3.34Å; S99-E171 PolarHBondContact N-OE1 3.38Å; S99-E171 PolarHBondContact N-OE2 2.83Å; S99-E171 VanDerWaalsContact N-OE2 3.09Å; S99-E171 PolarHBondContact OG-OE2 3.16Å |
| 100 | S | 94.4 | Very high | 81.8 | Confident | 65 Ų | 65 | 61.8 Ų | 61.8 | 46% | 0.455 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -90.6 | -16.3 | 174.9 | 78 | 0 | 0 | 0 | 0 | 114 | L97 L98 | L97-S100 WeakPolarHBondContact O-CB 3.25Å; L97-S100 PolarHBondContact O-N 3.23Å; L97-S100 PolarHBondContact O-OG 2.63Å; L98-S100 PolarHBondContact O-N 2.84Å |
| 101 | M | 95.9 | Very high | 84.1 | Confident | 8 Ų | 8 | 62.4 Ų | 62.4 | 4% | 0.039 | 37% | 0.374 | C | S | . | . | | | trans | -72.5 | 133.3 | -170.5 | -63.6 | -169.9 | 160.2 | 0 | 0 | 113.4 | L96 L98 I105 V106 K109 G135 M167 | L96-M101 HydrophobicContact CB-CE 3.75Å; L98-M101 HydrophobicContact CD1-SD 4.43Å; L98-M101 PolarHBondContact O-N 2.65Å; M101-I105 HydrophobicContact CB-CB 4.22Å; M101-I105 HydrophobicContact CB-CG2 3.99Å; M101-I105 HydrophobicContact CE-CG2 3.95Å; M101-I105 HydrophobicContact CG-CG2 3.74Å; M101-I105 HydrophobicContact SD-CG2 3.83Å; M101-V106 HydrophobicContact CB-CG2 3.96Å; M101-K109 HydrophobicContact CE-CD 4.31Å; M101-K109 HydrophobicContact CE-CG 3.89Å; M101-K109 HydrophobicContact SD-CG 4.08Å; M101-G135 WeakPolarHBondContact O-CA 3.32Å; M101-G135 PolarHBondContact O-N 3.34Å; M101-M167 HydrophobicContact CE-CE 3.34Å; M101-M167 HydrophobicContact CE-SD 3.94Å; M101-M167 HydrophobicContact SD-CE 3.84Å; M101-M167 HydrophobicContact SD-SD 4.07Å |
| 102 | T | 97.6 | Very high | 87 | Confident | 73 Ų | 73 | 64.1 Ų | 64.1 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | | | trans | -76.9 | 165.3 | 167 | 65.1 | 0 | 0 | 0 | 0 | 110.7 | D104 I105 V106 | T102-D104 PolarHBondContact O-N 2.92Å; T102-I105 HydrophobicContact CG2-CD1 4.46Å; T102-I105 PolarHBondContact O-N 3.02Å; T102-I105 VanDerWaalsContact O-N 3.13Å; T102-I105 WeakPolarHBondContact OG1-CG1 3.48Å; T102-I105 PolarHBondContact OG1-N 3.1Å; T102-V106 WeakPolarHBondContact O-CG2 3.4Å; T102-V106 PolarHBondContact O-N 3.49Å |
| 103 | V | 98.1 | Very high | 89.7 | Confident | 20 Ų | 20 | 58.5 Ų | 58.5 | 12% | 0.121 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -53.8 | -40.2 | 175.9 | -176.4 | 0 | 0 | 0 | 0 | 111.8 | V106 C107 I128 K129 N132 N134 | V103-V106 PolarHBondContact O-N 3.38Å; V103-C107 PolarHBondContact O-N 3.08Å; V103-C107 PolarHBondContact O-SG 3.29Å; V103-C107 VanDerWaalsContact O-SG 3.34Å; V103-I128 HydrophobicContact CG1-CG2 3.83Å; V103-K129 HydrophobicContact CG1-CB 4.35Å; V103-K129 HydrophobicContact CG1-CG 3.71Å; V103-N132 VanDerWaalsContact CG2-OD1 3.3Å; V103-N132 WeakPolarHBondContact CG2-OD1 3.33Å; V103-N134 HydrophobicContact CG2-CB 3.89Å |
| 104 | D | 97.9 | Very high | 92.1 | Very high | 88 Ų | 88 | 63.5 Ų | 63.5 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.7 | -39.1 | 178 | -64.1 | -77.9 | 0 | 0 | 0 | 113.1 | T102 V106 C107 E108 K129 | T102-D104 PolarHBondContact O-N 2.92Å; D104-V106 VanDerWaalsContact C-N 3.31Å; D104-C107 CarbonylContact O-C 3.31Å; D104-C107 WeakPolarHBondContact O-CB 3.37Å; D104-C107 PolarHBondContact O-N 3.06Å; D104-E108 PolarHBondContact O-N 3.03Å; D104-K129 WeakPolarHBondContact OD1-CE 3.49Å; D104-K129 IonicContact OD1-NZ 2.58Å; D104-K129 PolarHBondContact OD1-NZ 2.95Å |
| 105 | I | 97 | Very high | 94.2 | Very high | 47 Ų | 47 | 61.4 Ų | 61.4 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.5 | -37.4 | 173.9 | -64.3 | 168.8 | 0 | 0 | 0 | 110.3 | L96 M101 T102 E108 K109 | L96-I105 HydrophobicContact CD1-CG2 4.38Å; M101-I105 HydrophobicContact CB-CB 4.22Å; M101-I105 HydrophobicContact CB-CG2 3.99Å; M101-I105 HydrophobicContact CE-CG2 3.95Å; M101-I105 HydrophobicContact CG-CG2 3.74Å; M101-I105 HydrophobicContact SD-CG2 3.83Å; T102-I105 HydrophobicContact CG2-CD1 4.46Å; T102-I105 PolarHBondContact O-N 3.02Å; T102-I105 VanDerWaalsContact O-N 3.13Å; T102-I105 WeakPolarHBondContact OG1-CG1 3.48Å; T102-I105 PolarHBondContact OG1-N 3.1Å; I105-E108 PolarHBondContact O-N 2.93Å; I105-K109 PolarHBondContact O-N 2.92Å |
| 106 | V | 97.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 172.2 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | M101 T102 V103 D104 E108 K109 L110 I128 L138 | M101-V106 HydrophobicContact CB-CG2 3.96Å; T102-V106 WeakPolarHBondContact O-CG2 3.4Å; T102-V106 PolarHBondContact O-N 3.49Å; V103-V106 PolarHBondContact O-N 3.38Å; D104-V106 VanDerWaalsContact C-N 3.31Å; V106-E108 VanDerWaalsContact C-N 3.35Å; V106-E108 PolarHBondContact O-N 2.62Å; V106-K109 PolarHBondContact O-N 2.9Å; V106-L110 PolarHBondContact O-N 3.13Å; V106-I128 HydrophobicContact CB-CG2 4.46Å; V106-I128 HydrophobicContact CG1-CD1 4.25Å; V106-I128 HydrophobicContact CG1-CG2 3.97Å; V106-L138 HydrophobicContact CB-CD1 4.37Å; V106-L138 HydrophobicContact CG1-CD1 3.5Å; V106-L138 VanDerWaalsContact CG1-CD1 3.5Å; V106-L138 HydrophobicContact CG2-CD1 3.87Å |
| 107 | C | 97.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.5 | -33.2 | 172.4 | -67.4 | 0 | 0 | 0 | 0 | 113.3 | V103 D104 R111 I128 | V103-C107 PolarHBondContact O-N 3.08Å; V103-C107 PolarHBondContact O-SG 3.29Å; V103-C107 VanDerWaalsContact O-SG 3.34Å; D104-C107 CarbonylContact O-C 3.31Å; D104-C107 WeakPolarHBondContact O-CB 3.37Å; D104-C107 PolarHBondContact O-N 3.06Å; C107-R111 VanDerWaalsContact O-CZ 3.24Å; C107-R111 PolarHBondContact O-N 3.27Å; C107-R111 PolarHBondContact O-NH1 3.35Å; C107-R111 VanDerWaalsContact O-NH1 3.1Å; C107-I128 VanDerWaalsContact SG-CG2 3.58Å |
| 108 | E | 96.8 | Very high | 96.4 | Very high | 105 Ų | 105 | 59.4 Ų | 59.4 | 49% | 0.491 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70.9 | -37.9 | 172.5 | -75.4 | -170.6 | 153.9 | 0 | 0 | 112.4 | D104 I105 V106 R111 Q112 | D104-E108 PolarHBondContact O-N 3.03Å; I105-E108 PolarHBondContact O-N 2.93Å; V106-E108 VanDerWaalsContact C-N 3.35Å; V106-E108 PolarHBondContact O-N 2.62Å; E108-R111 WeakPolarHBondContact O-CB 2.95Å; E108-R111 PolarHBondContact O-N 3.3Å; E108-R111 VanDerWaalsContact O-N 3.16Å; E108-Q112 WeakPolarHBondContact O-CG 3.18Å; E108-Q112 PolarHBondContact O-N 3.28Å |
| 109 | K | 95.7 | Very high | 96.6 | Very high | 70 Ų | 70 | 62.2 Ų | 62.2 | 30% | 0.304 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 173.5 | -80.2 | -74.6 | 163.9 | -159.5 | 0 | 112 | M101 I105 V106 R111 Q112 M163 | M101-K109 HydrophobicContact CE-CD 4.31Å; M101-K109 HydrophobicContact CE-CG 3.89Å; M101-K109 HydrophobicContact SD-CG 4.08Å; I105-K109 PolarHBondContact O-N 2.92Å; V106-K109 PolarHBondContact O-N 2.9Å; K109-R111 VanDerWaalsContact C-N 3.26Å; K109-R111 PolarHBondContact O-N 2.82Å; K109-Q112 VanDerWaalsContact CE-OE1 3.31Å; K109-Q112 WeakPolarHBondContact O-CB 3.44Å; K109-Q112 PolarHBondContact O-N 2.94Å; K109-M163 HydrophobicContact CB-CE 4.26Å; K109-M163 HydrophobicContact CB-SD 3.88Å |
| 110 | L | 97.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.3 | -38 | 170.4 | -168.5 | 80.5 | 0 | 0 | 0 | 112.3 | V106 Q112 I113 L116 L121 I128 M152 F160 | V106-L110 PolarHBondContact O-N 3.13Å; L110-Q112 PolarHBondContact O-N 3.04Å; L110-I113 HydrophobicContact CD1-CD1 4.08Å; L110-I113 PolarHBondContact O-N 3.34Å; L110-L116 HydrophobicContact CD1-CD1 3.75Å; L110-L116 HydrophobicContact CG-CD1 4.1Å; L110-L121 HydrophobicContact CD2-CD1 3.83Å; L110-L121 HydrophobicContact CG-CD1 3.96Å; L110-I128 HydrophobicContact CB-CD1 4.42Å; L110-I128 HydrophobicContact CD1-CD1 4.48Å; L110-I128 HydrophobicContact CD2-CD1 3.85Å; L110-I128 HydrophobicContact CG-CD1 4.48Å; L110-M152 HydrophobicContact CD1-CE 3.78Å; L110-F160 HydrophobicContact CD1-CB 4.4Å; L110-F160 HydrophobicContact CD1-CD2 3.42Å; L110-F160 VanDerWaalsContact CD1-CD2 3.42Å; L110-F160 HydrophobicContact CD1-CE2 3.89Å; L110-F160 HydrophobicContact CD1-CG 4.09Å |
| 111 | R | 96.9 | Very high | 96.8 | Very high | 122 Ų | 122 | 60.6 Ų | 60.6 | 46% | 0.46 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -15.5 | 174.2 | -90.9 | -174.5 | -63 | -73.5 | 3.5 | 114.8 | C107 E108 K109 L121 C125 | C107-R111 VanDerWaalsContact O-CZ 3.24Å; C107-R111 PolarHBondContact O-N 3.27Å; C107-R111 PolarHBondContact O-NH1 3.35Å; C107-R111 VanDerWaalsContact O-NH1 3.1Å; E108-R111 WeakPolarHBondContact O-CB 2.95Å; E108-R111 PolarHBondContact O-N 3.3Å; E108-R111 VanDerWaalsContact O-N 3.16Å; K109-R111 VanDerWaalsContact C-N 3.26Å; K109-R111 PolarHBondContact O-N 2.82Å; R111-L121 HydrophobicContact CG-CD1 3.84Å; R111-L121 HydrophobicContact CG-CD2 3.54Å; R111-L121 HydrophobicContact CG-CG 4.22Å; R111-C125 PolarHBondContact NH1-SG 3.46Å |
| 112 | Q | 96.3 | Very high | 96.8 | Very high | 118 Ų | 118 | 63.8 Ų | 63.8 | 55% | 0.551 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 1.8 | 178.5 | -69.1 | 167 | 11.9 | 0 | 0 | 112.3 | E108 K109 L110 E114 | E108-Q112 WeakPolarHBondContact O-CG 3.18Å; E108-Q112 PolarHBondContact O-N 3.28Å; K109-Q112 VanDerWaalsContact CE-OE1 3.31Å; K109-Q112 WeakPolarHBondContact O-CB 3.44Å; K109-Q112 PolarHBondContact O-N 2.94Å; L110-Q112 PolarHBondContact O-N 3.04Å; Q112-E114 PolarHBondContact O-N 2.9Å |
| 113 | I | 96.9 | Very high | 96.9 | Very high | 26 Ų | 26 | 66 Ų | 66 | 13% | 0.133 | 36% | 0.355 | C | S | . | . | | | trans | -80 | 112.1 | 175.9 | -59 | -173.5 | 0 | 0 | 0 | 109.5 | L110 L116 L159 F160 M163 | L110-I113 HydrophobicContact CD1-CD1 4.08Å; L110-I113 PolarHBondContact O-N 3.34Å; I113-L116 HydrophobicContact CB-CB 4.19Å; I113-L116 HydrophobicContact CB-CD1 4.15Å; I113-L116 HydrophobicContact CD1-CD1 4.11Å; I113-L116 HydrophobicContact CG2-CB 3.96Å; I113-L116 HydrophobicContact CG2-CD1 4.16Å; I113-L159 HydrophobicContact CG2-CB 3.55Å; I113-L159 HydrophobicContact CG2-CD1 4.18Å; I113-L159 HydrophobicContact CG2-CG 4.37Å; I113-F160 HydrophobicContact CD1-CB 4.21Å; I113-F160 HydrophobicContact CD1-CD2 4.09Å; I113-M163 HydrophobicContact CD1-CB 4.17Å; I113-M163 HydrophobicContact CD1-CE 4.21Å; I113-M163 HydrophobicContact CD1-SD 3.73Å; I113-M163 HydrophobicContact CG1-SD 3.81Å |
| 114 | E | 96.3 | Very high | 96.9 | Very high | 177 Ų | 177 | 65.2 Ų | 65.2 | 83% | 0.827 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 139.4 | 173.1 | -61.8 | -174.1 | 174.9 | 0 | 0 | 111.3 | Q112 L116 | Q112-E114 PolarHBondContact O-N 2.9Å; E114-L116 VanDerWaalsContact C-N 3.33Å; E114-L116 PolarHBondContact O-N 2.95Å |
| 115 | G | 94.9 | Very high | 96.9 | Very high | 76 Ų | 76 | 61.7 Ų | 61.7 | 78% | 0.784 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 2.3 | 178 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 116 | L | 97 | Very high | 96.9 | Very high | 19 Ų | 19 | 63.7 Ų | 63.7 | 10% | 0.099 | 35% | 0.347 | C | S | . | . | | | trans | -78.7 | 142.9 | 176.3 | -174.7 | 147.6 | 0 | 0 | 0 | 111.7 | L110 I113 E114 Q118 L121 Y124 D156 L159 | L110-L116 HydrophobicContact CD1-CD1 3.75Å; L110-L116 HydrophobicContact CG-CD1 4.1Å; I113-L116 HydrophobicContact CB-CB 4.19Å; I113-L116 HydrophobicContact CB-CD1 4.15Å; I113-L116 HydrophobicContact CD1-CD1 4.11Å; I113-L116 HydrophobicContact CG2-CB 3.96Å; I113-L116 HydrophobicContact CG2-CD1 4.16Å; E114-L116 VanDerWaalsContact C-N 3.33Å; E114-L116 PolarHBondContact O-N 2.95Å; L116-Q118 PolarHBondContact O-N 3.35Å; L116-L121 HydrophobicContact CD2-CB 4.01Å; L116-L121 HydrophobicContact CD2-CD1 3.7Å; L116-L121 HydrophobicContact CD2-CG 4.5Å; L116-Y124 HydrophobicContact CD2-CD2 4.25Å; L116-Y124 HydrophobicContact CD2-CE2 4.4Å; L116-D156 WeakPolarHBondContact CA-OD1 3.48Å; L116-D156 HydrophobicContact CD1-CB 4.46Å; L116-D156 HydrophobicContact CG-CB 4.26Å; L116-L159 HydrophobicContact CB-CD1 4.26Å |
| 117 | D | 95.8 | Very high | 97 | Very high | 68 Ų | 68 | 65 Ų | 65 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | | | trans | -64 | 103.8 | -179.5 | -177.6 | -3 | 0 | 0 | 0 | 112.5 | G119 M120 L121 D156 | D117-G119 PolarHBondContact O-N 3.5Å; D117-G119 WeakPolarHBondContact OD1-CA 3.42Å; D117-G119 PolarHBondContact OD1-N 3.18Å; D117-M120 HydrophobicContact CB-CB 4.2Å; D117-M120 HydrophobicContact CB-CG 4.49Å; D117-M120 PolarHBondContact O-N 3.21Å; D117-M120 VanDerWaalsContact O-N 3.11Å; D117-M120 PolarHBondContact OD1-N 3.14Å; D117-M120 WeakPolarHBondContact OD2-CG 3.35Å; D117-L121 PolarHBondContact O-N 3.23Å; D117-D156 WeakPolarHBondContact CB-OD2 3.18Å; D117-D156 PolarHBondContact N-OD1 2.89Å |
| 118 | Q | 95.9 | Very high | 97 | Very high | 131 Ų | 131 | 65 Ų | 65 | 61% | 0.612 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.5 | 179.2 | -174.3 | 55.5 | 52.5 | 0 | 0 | 113.7 | L116 L121 | L116-Q118 PolarHBondContact O-N 3.35Å; Q118-L121 VanDerWaalsContact NE2-CD2 3.3Å |
| 119 | G | 96.9 | Very high | 97.1 | Very high | 61 Ų | 61 | 65.3 Ų | 65.3 | 63% | 0.629 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -35.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | D117 P122 | D117-G119 PolarHBondContact O-N 3.5Å; D117-G119 WeakPolarHBondContact OD1-CA 3.42Å; D117-G119 PolarHBondContact OD1-N 3.18Å; G119-P122 WeakPolarHBondContact O-CD 3.43Å |
| 120 | M | 96.6 | Very high | 97.2 | Very high | 50 Ų | 50 | 70.9 Ų | 70.9 | 25% | 0.246 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -21.5 | 178.6 | -70 | -66.2 | -74.3 | 0 | 0 | 113.8 | D117 P122 Q123 Y124 | D117-M120 HydrophobicContact CB-CB 4.2Å; D117-M120 HydrophobicContact CB-CG 4.49Å; D117-M120 PolarHBondContact O-N 3.21Å; D117-M120 VanDerWaalsContact O-N 3.11Å; D117-M120 PolarHBondContact OD1-N 3.14Å; D117-M120 WeakPolarHBondContact OD2-CG 3.35Å; M120-P122 VanDerWaalsContact C-N 3.34Å; M120-Q123 WeakPolarHBondContact O-CA 3.43Å; M120-Q123 WeakPolarHBondContact O-CB 3.32Å; M120-Q123 PolarHBondContact O-N 2.88Å; M120-Y124 HydrophobicContact CB-CD2 4.26Å; M120-Y124 HydrophobicContact CB-CE1 4.04Å; M120-Y124 HydrophobicContact CB-CE2 3.59Å; M120-Y124 VanDerWaalsContact CB-CZ 3.48Å; M120-Y124 HydrophobicContact CE-CE1 4.04Å; M120-Y124 PolarHBondContact O-N 3Å |
| 121 | L | 97.1 | Very high | 97.2 | Very high | 8 Ų | 8 | 72.4 Ų | 72.4 | 4% | 0.042 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -44.4 | -44.2 | 175.6 | 177.6 | 96.5 | 0 | 0 | 0 | 114.7 | L110 R111 L116 D117 Q118 Q123 Y124 C125 | L110-L121 HydrophobicContact CD2-CD1 3.83Å; L110-L121 HydrophobicContact CG-CD1 3.96Å; R111-L121 HydrophobicContact CG-CD1 3.84Å; R111-L121 HydrophobicContact CG-CD2 3.54Å; R111-L121 HydrophobicContact CG-CG 4.22Å; L116-L121 HydrophobicContact CD2-CB 4.01Å; L116-L121 HydrophobicContact CD2-CD1 3.7Å; L116-L121 HydrophobicContact CD2-CG 4.5Å; D117-L121 PolarHBondContact O-N 3.23Å; Q118-L121 VanDerWaalsContact NE2-CD2 3.3Å; L121-Q123 VanDerWaalsContact C-N 3.31Å; L121-Q123 PolarHBondContact O-N 3.38Å; L121-Y124 PolarHBondContact O-N 3.47Å; L121-C125 WeakPolarHBondContact O-CB 3.43Å; L121-C125 PolarHBondContact O-N 3.23Å; L121-C125 PolarHBondContact O-SG 2.87Å |
| 122 | P | 97.8 | Very high | 97.2 | Very high | 75 Ų | 75 | 71.3 Ų | 71.3 | 49% | 0.487 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.7 | -36.3 | 178.5 | -20.9 | 34.4 | 0 | 0 | 0 | 112.6 | G119 M120 T126 | G119-P122 WeakPolarHBondContact O-CD 3.43Å; M120-P122 VanDerWaalsContact C-N 3.34Å; P122-T126 WeakPolarHBondContact O-CB 3.45Å; P122-T126 PolarHBondContact O-N 3.1Å; P122-T126 PolarHBondContact O-OG1 3.42Å |
| 123 | Q | 98 | Very high | 97.3 | Very high | 120 Ų | 120 | 66 Ų | 66 | 56% | 0.561 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -70.4 | -43.2 | 175.8 | -175.2 | 165.4 | -23.9 | 0 | 0 | 110.7 | M120 L121 C125 T126 T127 | M120-Q123 WeakPolarHBondContact O-CA 3.43Å; M120-Q123 WeakPolarHBondContact O-CB 3.32Å; M120-Q123 PolarHBondContact O-N 2.88Å; L121-Q123 VanDerWaalsContact C-N 3.31Å; L121-Q123 PolarHBondContact O-N 3.38Å; Q123-C125 PolarHBondContact O-N 3.07Å; Q123-T126 CarbonylContact O-C 3.59Å; Q123-T126 WeakPolarHBondContact O-CA 3.34Å; Q123-T126 WeakPolarHBondContact O-CB 3.46Å; Q123-T126 PolarHBondContact O-N 2.76Å; Q123-T126 VanDerWaalsContact O-N 3.07Å; Q123-T127 PolarHBondContact O-N 3.06Å; Q123-T127 PolarHBondContact O-OG1 3.09Å; Q123-T127 VanDerWaalsContact O-OG1 3.14Å |
| 124 | Y | 98.2 | Very high | 97.3 | Very high | 3 Ų | 3 | 66.2 Ų | 66.2 | 1% | 0.012 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 174.2 | -57.8 | -27 | 0 | 0 | 0 | 112.5 | L116 M120 L121 T126 T127 I128 M152 N153 D156 | L116-Y124 HydrophobicContact CD2-CD2 4.25Å; L116-Y124 HydrophobicContact CD2-CE2 4.4Å; M120-Y124 HydrophobicContact CB-CD2 4.26Å; M120-Y124 HydrophobicContact CB-CE1 4.04Å; M120-Y124 HydrophobicContact CB-CE2 3.59Å; M120-Y124 VanDerWaalsContact CB-CZ 3.48Å; M120-Y124 HydrophobicContact CE-CE1 4.04Å; M120-Y124 PolarHBondContact O-N 3Å; L121-Y124 PolarHBondContact O-N 3.47Å; Y124-T126 VanDerWaalsContact C-N 3.26Å; Y124-T126 PolarHBondContact O-N 2.95Å; Y124-T127 PolarHBondContact O-N 2.61Å; Y124-I128 WeakPolarHBondContact O-CG1 3.46Å; Y124-I128 PolarHBondContact O-N 2.79Å; Y124-M152 HydrophobicContact CD1-CE 4.47Å; Y124-M152 HydrophobicContact CD1-CG 3.69Å; Y124-M152 HydrophobicContact CD2-CE 4.25Å; Y124-M152 HydrophobicContact CD2-CG 4.22Å; Y124-M152 HydrophobicContact CE1-CB 4Å; Y124-M152 HydrophobicContact CE1-CG 3.54Å; Y124-M152 HydrophobicContact CE2-CG 4.08Å; Y124-M152 HydrophobicContact CG-CE 4.02Å; Y124-M152 HydrophobicContact CG-CG 4.03Å; Y124-N153 PolarHBondContact OH-N 3.08Å; Y124-N153 PolarHBondContact OH-ND2 3.09Å; Y124-N153 VanDerWaalsContact OH-ND2 3.13Å; Y124-D156 HydrophobicContact CE2-CB 3.79Å; Y124-D156 WeakPolarHBondContact CE2-OD2 3.34Å; Y124-D156 PolarHBondContact OH-OD2 2.8Å |
| 125 | C | 98.1 | Very high | 97.4 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 10% | 0.101 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.2 | -37.1 | 172.5 | -69 | 0 | 0 | 0 | 0 | 112 | R111 L121 Q123 K129 | R111-C125 PolarHBondContact NH1-SG 3.46Å; L121-C125 WeakPolarHBondContact O-CB 3.43Å; L121-C125 PolarHBondContact O-N 3.23Å; L121-C125 PolarHBondContact O-SG 2.87Å; Q123-C125 PolarHBondContact O-N 3.07Å; C125-K129 WeakPolarHBondContact O-CB 3.44Å; C125-K129 WeakPolarHBondContact O-CG 3.42Å; C125-K129 PolarHBondContact O-N 2.93Å |
| 126 | T | 98.3 | Very high | 97.4 | Very high | 89 Ų | 89 | 61.9 Ų | 61.9 | 55% | 0.546 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67 | -42.2 | 176 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | P122 Q123 Y124 K129 K130 | P122-T126 WeakPolarHBondContact O-CB 3.45Å; P122-T126 PolarHBondContact O-N 3.1Å; P122-T126 PolarHBondContact O-OG1 3.42Å; Q123-T126 CarbonylContact O-C 3.59Å; Q123-T126 WeakPolarHBondContact O-CA 3.34Å; Q123-T126 WeakPolarHBondContact O-CB 3.46Å; Q123-T126 PolarHBondContact O-N 2.76Å; Q123-T126 VanDerWaalsContact O-N 3.07Å; Y124-T126 VanDerWaalsContact C-N 3.26Å; Y124-T126 PolarHBondContact O-N 2.95Å; T126-K129 PolarHBondContact O-N 3.32Å; T126-K130 VanDerWaalsContact O-CB 3.25Å; T126-K130 WeakPolarHBondContact O-CB 3.48Å; T126-K130 PolarHBondContact O-N 3.32Å |
| 127 | T | 98.3 | Very high | 97.5 | Very high | 30 Ų | 30 | 63.7 Ų | 63.7 | 18% | 0.184 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 174.4 | -52.8 | 0 | 0 | 0 | 0 | 111.6 | Q123 Y124 K129 K130 A131 E149 M150 | Q123-T127 PolarHBondContact O-N 3.06Å; Q123-T127 PolarHBondContact O-OG1 3.09Å; Q123-T127 VanDerWaalsContact O-OG1 3.14Å; Y124-T127 PolarHBondContact O-N 2.61Å; T127-K129 VanDerWaalsContact C-N 3.27Å; T127-K129 PolarHBondContact O-N 3.22Å; T127-K130 PolarHBondContact O-N 2.85Å; T127-A131 VanDerWaalsContact O-CB 3.32Å; T127-A131 WeakPolarHBondContact O-CB 3.41Å; T127-A131 PolarHBondContact O-N 3.2Å; T127-E149 WeakPolarHBondContact CG2-O 3.37Å; T127-M150 HydrophobicContact CG2-CE 3.47Å; T127-M150 VanDerWaalsContact CG2-CE 3.47Å |
| 128 | I | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -54.5 | -44.3 | 175.2 | -71.8 | 168 | 0 | 0 | 0 | 111 | V103 V106 C107 L110 Y124 N132 I133 M150 | V103-I128 HydrophobicContact CG1-CG2 3.83Å; V106-I128 HydrophobicContact CB-CG2 4.46Å; V106-I128 HydrophobicContact CG1-CD1 4.25Å; V106-I128 HydrophobicContact CG1-CG2 3.97Å; C107-I128 VanDerWaalsContact SG-CG2 3.58Å; L110-I128 HydrophobicContact CB-CD1 4.42Å; L110-I128 HydrophobicContact CD1-CD1 4.48Å; L110-I128 HydrophobicContact CD2-CD1 3.85Å; L110-I128 HydrophobicContact CG-CD1 4.48Å; Y124-I128 WeakPolarHBondContact O-CG1 3.46Å; Y124-I128 PolarHBondContact O-N 2.79Å; I128-N132 PolarHBondContact O-N 3.34Å; I128-N132 VanDerWaalsContact O-N 3.16Å; I128-I133 HydrophobicContact CG2-CB 4.27Å; I128-I133 PolarHBondContact O-N 3.34Å; I128-M150 HydrophobicContact CB-CE 4.5Å; I128-M150 HydrophobicContact CD1-SD 4.42Å; I128-M150 HydrophobicContact CG1-CE 3.6Å; I128-M150 HydrophobicContact CG1-SD 3.78Å |
| 129 | K | 98.2 | Very high | 97.6 | Very high | 112 Ų | 112 | 55 Ų | 55 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70.2 | -43.1 | 177.8 | -73.1 | -177.5 | 174.4 | -154.2 | 0 | 113.4 | V103 D104 C125 T126 T127 N132 | V103-K129 HydrophobicContact CG1-CB 4.35Å; V103-K129 HydrophobicContact CG1-CG 3.71Å; D104-K129 WeakPolarHBondContact OD1-CE 3.49Å; D104-K129 IonicContact OD1-NZ 2.58Å; D104-K129 PolarHBondContact OD1-NZ 2.95Å; C125-K129 WeakPolarHBondContact O-CB 3.44Å; C125-K129 WeakPolarHBondContact O-CG 3.42Å; C125-K129 PolarHBondContact O-N 2.93Å; T126-K129 PolarHBondContact O-N 3.32Å; T127-K129 VanDerWaalsContact C-N 3.27Å; T127-K129 PolarHBondContact O-N 3.22Å; K129-N132 PolarHBondContact O-N 2.98Å |
| 130 | K | 98.1 | Very high | 97.5 | Very high | 187 Ų | 187 | 59.6 Ų | 59.6 | 81% | 0.813 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -65.6 | -41.1 | 179.5 | -176.2 | -173.4 | 174.5 | -166.8 | 0 | 112.5 | T126 T127 N132 | T126-K130 VanDerWaalsContact O-CB 3.25Å; T126-K130 WeakPolarHBondContact O-CB 3.48Å; T126-K130 PolarHBondContact O-N 3.32Å; T127-K130 PolarHBondContact O-N 2.85Å; K130-N132 VanDerWaalsContact C-N 3.31Å |
| 131 | A | 97.6 | Very high | 97.5 | Very high | 33 Ų | 33 | 58.5 Ų | 58.5 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 0.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T127 I133 E149 | T127-A131 VanDerWaalsContact O-CB 3.32Å; T127-A131 WeakPolarHBondContact O-CB 3.41Å; T127-A131 PolarHBondContact O-N 3.2Å; A131-I133 HydrophobicContact CB-CD1 3.7Å; A131-I133 HydrophobicContact CB-CG1 3.79Å; A131-I133 PolarHBondContact O-N 3.44Å; A131-E149 HydrophobicContact CB-CG 3.87Å; A131-E149 WeakPolarHBondContact CB-OE1 3.38Å |
| 132 | N | 97.6 | Very high | 97.5 | Very high | 99 Ų | 99 | 62 Ų | 62 | 53% | 0.529 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 39.5 | -177.2 | -170.4 | 24 | 0 | 0 | 0 | 113.3 | V103 I128 K129 K130 N134 | V103-N132 VanDerWaalsContact CG2-OD1 3.3Å; V103-N132 WeakPolarHBondContact CG2-OD1 3.33Å; I128-N132 PolarHBondContact O-N 3.34Å; I128-N132 VanDerWaalsContact O-N 3.16Å; K129-N132 PolarHBondContact O-N 2.98Å; K130-N132 VanDerWaalsContact C-N 3.31Å; N132-N134 VanDerWaalsContact C-N 3.34Å; N132-N134 PolarHBondContact O-N 3.23Å; N132-N134 PolarHBondContact O-ND2 2.87Å |
| 133 | I | 98 | Very high | 97.5 | Very high | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | | | trans | -74.8 | 89.6 | -178.5 | -66.4 | 166.2 | 0 | 0 | 0 | 108.6 | I128 A131 L138 L146 E149 M150 | I128-I133 HydrophobicContact CG2-CB 4.27Å; I128-I133 PolarHBondContact O-N 3.34Å; A131-I133 HydrophobicContact CB-CD1 3.7Å; A131-I133 HydrophobicContact CB-CG1 3.79Å; A131-I133 PolarHBondContact O-N 3.44Å; I133-L138 HydrophobicContact CG2-CD1 4.18Å; I133-L138 HydrophobicContact CG2-CD2 3.51Å; I133-L138 HydrophobicContact CG2-CG 3.65Å; I133-L146 HydrophobicContact CD1-CD1 4.09Å; I133-L146 HydrophobicContact CG2-CD1 4.35Å; I133-E149 HydrophobicContact CD1-CG 4.12Å; I133-M150 HydrophobicContact CD1-CE 3.42Å; I133-M150 VanDerWaalsContact CD1-CE 3.42Å; I133-M150 HydrophobicContact CD1-CG 4.49Å; I133-M150 HydrophobicContact CD1-SD 3.9Å |
| 134 | N | 97.4 | Very high | 97.5 | Very high | 32 Ų | 32 | 57.7 Ų | 57.7 | 17% | 0.171 | 29% | 0.293 | C | S | . | . | | | trans | -96.4 | 174.8 | 174.3 | 63.4 | 78.8 | 0 | 0 | 0 | 111 | V103 N132 R136 V137 L138 | V103-N134 HydrophobicContact CG2-CB 3.89Å; N132-N134 VanDerWaalsContact C-N 3.34Å; N132-N134 PolarHBondContact O-N 3.23Å; N132-N134 PolarHBondContact O-ND2 2.87Å; N134-R136 VanDerWaalsContact C-N 3.34Å; N134-R136 PolarHBondContact O-N 3.45Å; N134-R136 WeakPolarHBondContact OD1-CB 3.32Å; N134-R136 PolarHBondContact OD1-N 3.32Å; N134-R136 VanDerWaalsContact OD1-N 3.08Å; N134-V137 WeakPolarHBondContact ND2-CG2 3.5Å; N134-V137 WeakPolarHBondContact O-CB 3.19Å; N134-V137 PolarHBondContact O-N 2.93Å; N134-V137 VanDerWaalsContact O-N 3.1Å; N134-V137 PolarHBondContact OD1-N 3.23Å; N134-L138 PolarHBondContact O-N 3.22Å |
| 135 | G | 96.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -54.2 | -40.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L98 M101 V137 L138 A139 | L98-G135 CarbonylContact O-C 3.59Å; L98-G135 VanDerWaalsContact O-C 3.31Å; L98-G135 WeakPolarHBondContact O-CA 3.28Å; M101-G135 WeakPolarHBondContact O-CA 3.32Å; M101-G135 PolarHBondContact O-N 3.34Å; G135-V137 PolarHBondContact O-N 2.99Å; G135-L138 CarbonylContact O-C 3.54Å; G135-L138 PolarHBondContact O-N 2.9Å; G135-A139 WeakPolarHBondContact O-CB 3.47Å; G135-A139 PolarHBondContact O-N 3.47Å |
| 136 | R | 96.2 | Very high | 97.4 | Very high | 162 Ų | 162 | 62.6 Ų | 62.6 | 61% | 0.611 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -67.3 | -37.4 | 177.9 | -61 | -178.9 | 178 | -88.6 | -2.9 | 112 | S99 N134 A139 Q140 | S99-R136 WeakPolarHBondContact O-CG 3.14Å; N134-R136 VanDerWaalsContact C-N 3.34Å; N134-R136 PolarHBondContact O-N 3.45Å; N134-R136 WeakPolarHBondContact OD1-CB 3.32Å; N134-R136 PolarHBondContact OD1-N 3.32Å; N134-R136 VanDerWaalsContact OD1-N 3.08Å; R136-A139 PolarHBondContact O-N 2.8Å; R136-Q140 PolarHBondContact O-N 2.92Å |
| 137 | V | 97.7 | Very high | 97.4 | Very high | 56 Ų | 56 | 62.8 Ų | 62.8 | 34% | 0.339 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.6 | -48.5 | 172.4 | 177.6 | 0 | 0 | 0 | 0 | 109.2 | N134 G135 A139 Q140 C141 | N134-V137 WeakPolarHBondContact ND2-CG2 3.5Å; N134-V137 WeakPolarHBondContact O-CB 3.19Å; N134-V137 PolarHBondContact O-N 2.93Å; N134-V137 VanDerWaalsContact O-N 3.1Å; N134-V137 PolarHBondContact OD1-N 3.23Å; G135-V137 PolarHBondContact O-N 2.99Å; V137-A139 VanDerWaalsContact C-N 3.3Å; V137-A139 PolarHBondContact O-N 2.98Å; V137-Q140 PolarHBondContact O-N 3.34Å; V137-C141 HydrophobicContact CG1-CB 4.22Å; V137-C141 WeakPolarHBondContact O-CB 3.28Å; V137-C141 PolarHBondContact O-N 2.83Å; V137-C141 PolarHBondContact O-SG 3.45Å |
| 138 | L | 97.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66 | -25.8 | 179.2 | -71.2 | -176.7 | 0 | 0 | 0 | 114.5 | L98 V106 I133 N134 G135 L146 F160 V164 R168 | L98-L138 HydrophobicContact CD1-CB 3.97Å; L98-L138 HydrophobicContact CD2-CB 4.39Å; L98-L138 HydrophobicContact CG-CB 4.37Å; V106-L138 HydrophobicContact CB-CD1 4.37Å; V106-L138 HydrophobicContact CG1-CD1 3.5Å; V106-L138 VanDerWaalsContact CG1-CD1 3.5Å; V106-L138 HydrophobicContact CG2-CD1 3.87Å; I133-L138 HydrophobicContact CG2-CD1 4.18Å; I133-L138 HydrophobicContact CG2-CD2 3.51Å; I133-L138 HydrophobicContact CG2-CG 3.65Å; N134-L138 PolarHBondContact O-N 3.22Å; G135-L138 CarbonylContact O-C 3.54Å; G135-L138 PolarHBondContact O-N 2.9Å; L138-L146 HydrophobicContact CD2-CD1 3.84Å; L138-L146 HydrophobicContact CD2-CD2 3.69Å; L138-L146 HydrophobicContact CD2-CG 4.45Å; L138-F160 HydrophobicContact CD1-CZ 4.21Å; L138-F160 HydrophobicContact CD2-CE1 4.42Å; L138-F160 HydrophobicContact CD2-CZ 3.97Å; L138-V164 HydrophobicContact CB-CG1 4.46Å; L138-V164 HydrophobicContact CD1-CG2 4.21Å; L138-V164 HydrophobicContact CD2-CG1 4.46Å; L138-V164 HydrophobicContact CD2-CG2 4.01Å; L138-V164 WeakPolarHBondContact O-CG1 3.24Å; L138-R168 PolarHBondContact O-NE 2.82Å; L138-R168 PolarHBondContact O-NH2 3.04Å |
| 139 | A | 96.4 | Very high | 97.3 | Very high | 17 Ų | 17 | 73.9 Ų | 73.9 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.7 | -33.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | L98 S99 G135 R136 V137 R168 | L98-A139 HydrophobicContact CD2-CB 4.09Å; L98-A139 HydrophobicContact CG-CB 4.2Å; S99-A139 WeakPolarHBondContact OG-CB 3.17Å; G135-A139 WeakPolarHBondContact O-CB 3.47Å; G135-A139 PolarHBondContact O-N 3.47Å; R136-A139 PolarHBondContact O-N 2.8Å; V137-A139 VanDerWaalsContact C-N 3.3Å; V137-A139 PolarHBondContact O-N 2.98Å; A139-R168 VanDerWaalsContact O-CZ 3.27Å; A139-R168 PolarHBondContact O-NE 3.45Å; A139-R168 VanDerWaalsContact O-NE 3.16Å |
| 140 | Q | 95.6 | Very high | 97.3 | Very high | 157 Ų | 157 | 68.7 Ų | 68.7 | 73% | 0.734 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -117.1 | -19.2 | -166 | -61 | -177 | 2.4 | 0 | 0 | 115.4 | R136 V137 | R136-Q140 PolarHBondContact O-N 2.92Å; V137-Q140 PolarHBondContact O-N 3.34Å |
| 141 | C | 96.7 | Very high | 97.2 | Very high | 27 Ų | 27 | 63.5 Ų | 63.5 | 18% | 0.182 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -65.4 | 154.3 | -173.7 | 66.4 | 0 | 0 | 0 | 0 | 113.7 | V137 I143 R168 | V137-C141 HydrophobicContact CG1-CB 4.22Å; V137-C141 WeakPolarHBondContact O-CB 3.28Å; V137-C141 PolarHBondContact O-N 2.83Å; V137-C141 PolarHBondContact O-SG 3.45Å; C141-I143 PolarHBondContact O-N 3.24Å; C141-R168 PolarHBondContact O-NH1 3.44Å; C141-R168 VanDerWaalsContact O-NH1 3.16Å; C141-R168 PolarHBondContact O-NH2 2.95Å; C141-R168 PolarHBondContact SG-NH2 3.03Å |
| 142 | N | 97.8 | Very high | 97.2 | Very high | 80 Ų | 80 | 63 Ų | 63 | 43% | 0.428 | 32% | 0.317 | S | S | . | . | | | trans | -68.2 | 126.8 | 167.4 | -177.3 | -10.9 | 0 | 0 | 0 | 109.4 | D144 E145 L146 | N142-D144 VanDerWaalsContact C-N 3.26Å; N142-D144 PolarHBondContact O-N 3Å; N142-D144 PolarHBondContact OD1-N 3.16Å; N142-D144 VanDerWaalsContact OD1-N 3.09Å; N142-E145 HydrophobicContact CB-CB 4.15Å; N142-E145 HydrophobicContact CB-CG 4.08Å; N142-E145 PolarHBondContact ND2-OE1 3.26Å; N142-E145 PolarHBondContact O-N 3.32Å; N142-E145 VanDerWaalsContact O-N 3.17Å; N142-L146 PolarHBondContact O-N 3.49Å |
| 143 | I | 97.5 | Very high | 97.1 | Very high | 18 Ų | 18 | 61.7 Ų | 61.7 | 9% | 0.092 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.4 | -30.7 | -175.8 | -57.1 | -63.1 | 0 | 0 | 0 | 111.8 | C141 K147 W157 R161 V164 L165 | C141-I143 PolarHBondContact O-N 3.24Å; I143-K147 PolarHBondContact O-N 3.19Å; I143-W157 HydrophobicContact CG2-CH2 4.11Å; I143-W157 HydrophobicContact CG2-CZ2 3.69Å; I143-W157 WeakPolarHBondContact O-CH2 3.16Å; I143-W157 WeakPolarHBondContact O-CZ2 3.13Å; I143-R161 HydrophobicContact CG2-CG 3.9Å; I143-R161 VanDerWaalsContact CG2-CZ 3.49Å; I143-R161 VanDerWaalsContact CG2-NH1 3.29Å; I143-V164 HydrophobicContact CD1-CG1 4.27Å; I143-L165 HydrophobicContact CD1-CD2 4.14Å; I143-L165 HydrophobicContact CG1-CD2 4.32Å |
| 144 | D | 97.2 | Very high | 97.1 | Very high | 87 Ų | 87 | 68.8 Ų | 68.8 | 47% | 0.465 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -85 | -11.5 | 179.9 | -60.6 | -35.8 | 0 | 0 | 0 | 113.1 | N142 K148 R161 | N142-D144 VanDerWaalsContact C-N 3.26Å; N142-D144 PolarHBondContact O-N 3Å; N142-D144 PolarHBondContact OD1-N 3.16Å; N142-D144 VanDerWaalsContact OD1-N 3.09Å; D144-K148 WeakPolarHBondContact O-CD 3.33Å; D144-K148 WeakPolarHBondContact O-CE 3.42Å; D144-K148 WeakPolarHBondContact O-CG 3.32Å; D144-R161 IonicContact OD1-NH1 2.65Å; D144-R161 PolarHBondContact OD1-NH1 3.19Å |
| 145 | E | 97.6 | Very high | 97.1 | Very high | 114 Ų | 114 | 69.3 Ų | 69.3 | 53% | 0.533 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -85.6 | -45.2 | 165.3 | -70.7 | 164.5 | -162.9 | 0 | 0 | 110.2 | N142 K147 K148 E149 | N142-E145 HydrophobicContact CB-CB 4.15Å; N142-E145 HydrophobicContact CB-CG 4.08Å; N142-E145 PolarHBondContact ND2-OE1 3.26Å; N142-E145 PolarHBondContact O-N 3.32Å; N142-E145 VanDerWaalsContact O-N 3.17Å; E145-K147 PolarHBondContact O-N 2.9Å; E145-K148 WeakPolarHBondContact O-CB 3.35Å; E145-K148 PolarHBondContact O-N 3.45Å; E145-E149 PolarHBondContact O-N 3.39Å |
| 146 | L | 97.7 | Very high | 97.2 | Very high | 8 Ų | 8 | 69.7 Ų | 69.7 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -55 | -37.2 | 172 | -177.4 | 68.3 | 0 | 0 | 0 | 111.6 | I133 L138 N142 K148 E149 M150 W157 F160 | I133-L146 HydrophobicContact CD1-CD1 4.09Å; I133-L146 HydrophobicContact CG2-CD1 4.35Å; L138-L146 HydrophobicContact CD2-CD1 3.84Å; L138-L146 HydrophobicContact CD2-CD2 3.69Å; L138-L146 HydrophobicContact CD2-CG 4.45Å; N142-L146 PolarHBondContact O-N 3.49Å; L146-K148 VanDerWaalsContact C-N 3.35Å; L146-K148 PolarHBondContact O-N 3.16Å; L146-E149 PolarHBondContact O-N 3.4Å; L146-M150 HydrophobicContact CD1-CG 3.75Å; L146-M150 HydrophobicContact CD1-SD 4.28Å; L146-M150 HydrophobicContact CG-CG 4.02Å; L146-M150 VanDerWaalsContact O-CB 3.28Å; L146-M150 WeakPolarHBondContact O-CB 3.41Å; L146-M150 WeakPolarHBondContact O-CG 3.38Å; L146-M150 PolarHBondContact O-N 3.21Å; L146-W157 HydrophobicContact CB-CH2 4.1Å; L146-W157 HydrophobicContact CD2-CH2 4.04Å; L146-W157 HydrophobicContact CD2-CZ3 4.29Å; L146-W157 HydrophobicContact CG-CH2 3.93Å; L146-W157 HydrophobicContact CG-CZ3 4.02Å; L146-F160 HydrophobicContact CD1-CE1 4.39Å; L146-F160 HydrophobicContact CD2-CE1 3.98Å; L146-F160 HydrophobicContact CG-CE1 4.3Å |
| 147 | K | 97.7 | Very high | 97.3 | Very high | 92 Ų | 92 | 62.1 Ų | 62.1 | 40% | 0.4 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.4 | -44.2 | 173.7 | -170.7 | 174.2 | -174.4 | -179.9 | 0 | 112.8 | I143 E145 A151 W157 | I143-K147 PolarHBondContact O-N 3.19Å; E145-K147 PolarHBondContact O-N 2.9Å; K147-A151 PolarHBondContact O-N 3.01Å; K147-W157 VanDerWaalsContact CA-CH2 3.49Å; K147-W157 HydrophobicContact CB-CD2 4.17Å; K147-W157 HydrophobicContact CB-CE3 4.4Å; K147-W157 HydrophobicContact CB-CH2 3.79Å; K147-W157 HydrophobicContact CB-CZ2 3.49Å; K147-W157 VanDerWaalsContact CB-CZ2 3.49Å; K147-W157 HydrophobicContact CB-CZ3 4.23Å; K147-W157 HydrophobicContact CD-CD2 4.39Å; K147-W157 HydrophobicContact CD-CG 4.44Å; K147-W157 HydrophobicContact CD-CZ2 4.38Å; K147-W157 HydrophobicContact CG-CD2 3.8Å; K147-W157 HydrophobicContact CG-CE3 4.34Å; K147-W157 HydrophobicContact CG-CG 4.17Å; K147-W157 HydrophobicContact CG-CH2 4.49Å; K147-W157 HydrophobicContact CG-CZ2 3.95Å; K147-W157 VanDerWaalsContact N-CH2 3.33Å |
| 148 | K | 97.4 | Very high | 97.3 | Very high | 158 Ų | 158 | 63.6 Ų | 63.6 | 69% | 0.687 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -70.7 | -42.7 | -178.2 | -64.2 | 163 | -169.1 | 161.2 | 0 | 110.8 | D144 E145 L146 | D144-K148 WeakPolarHBondContact O-CD 3.33Å; D144-K148 WeakPolarHBondContact O-CE 3.42Å; D144-K148 WeakPolarHBondContact O-CG 3.32Å; E145-K148 WeakPolarHBondContact O-CB 3.35Å; E145-K148 PolarHBondContact O-N 3.45Å; L146-K148 VanDerWaalsContact C-N 3.35Å; L146-K148 PolarHBondContact O-N 3.16Å |
| 149 | E | 97.8 | Very high | 97.3 | Very high | 106 Ų | 106 | 66.4 Ų | 66.4 | 50% | 0.495 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68 | -40.5 | 179.2 | -168.8 | 60.6 | -151.2 | 0 | 0 | 111.9 | T127 A131 I133 E145 L146 | T127-E149 WeakPolarHBondContact CG2-O 3.37Å; A131-E149 HydrophobicContact CB-CG 3.87Å; A131-E149 WeakPolarHBondContact CB-OE1 3.38Å; I133-E149 HydrophobicContact CD1-CG 4.12Å; E145-E149 PolarHBondContact O-N 3.39Å; L146-E149 PolarHBondContact O-N 3.4Å |
| 150 | M | 97.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -74.6 | -28.3 | -178.7 | -64.7 | -84.7 | 65.5 | 0 | 0 | 113.9 | T127 I128 I133 L146 M152 W157 F160 | T127-M150 HydrophobicContact CG2-CE 3.47Å; T127-M150 VanDerWaalsContact CG2-CE 3.47Å; I128-M150 HydrophobicContact CB-CE 4.5Å; I128-M150 HydrophobicContact CD1-SD 4.42Å; I128-M150 HydrophobicContact CG1-CE 3.6Å; I128-M150 HydrophobicContact CG1-SD 3.78Å; I133-M150 HydrophobicContact CD1-CE 3.42Å; I133-M150 VanDerWaalsContact CD1-CE 3.42Å; I133-M150 HydrophobicContact CD1-CG 4.49Å; I133-M150 HydrophobicContact CD1-SD 3.9Å; L146-M150 HydrophobicContact CD1-CG 3.75Å; L146-M150 HydrophobicContact CD1-SD 4.28Å; L146-M150 HydrophobicContact CG-CG 4.02Å; L146-M150 VanDerWaalsContact O-CB 3.28Å; L146-M150 WeakPolarHBondContact O-CB 3.41Å; L146-M150 WeakPolarHBondContact O-CG 3.38Å; L146-M150 PolarHBondContact O-N 3.21Å; M150-M152 HydrophobicContact CB-CE 4.18Å; M150-M152 HydrophobicContact CB-CG 4.07Å; M150-M152 HydrophobicContact CB-SD 3.96Å; M150-M152 HydrophobicContact CG-CE 4.38Å; M150-M152 PolarHBondContact O-N 3.07Å; M150-M152 HydrophobicContact SD-CE 3.88Å; M150-W157 HydrophobicContact CB-CE3 4.48Å; M150-W157 HydrophobicContact CB-CZ3 4.34Å; M150-W157 HydrophobicContact CG-CZ3 4.3Å; M150-F160 HydrophobicContact CG-CD1 4.44Å; M150-F160 HydrophobicContact CG-CE1 3.89Å; M150-F160 HydrophobicContact SD-CD1 4.42Å; M150-F160 HydrophobicContact SD-CE1 3.61Å; M150-F160 HydrophobicContact SD-CZ 3.94Å |
| 151 | A | 95.9 | Very high | 97.5 | Very high | 78 Ų | 78 | 61.9 Ų | 61.9 | 65% | 0.645 | 32% | 0.317 | S | S | * | . | | | trans | 49.4 | 32.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | K147 | K147-A151 PolarHBondContact O-N 3.01Š|
| 152 | M | 97.1 | Very high | 97.6 | Very high | 22 Ų | 22 | 64 Ų | 64 | 11% | 0.108 | 33% | 0.332 | C | S | . | . | | | trans | -72.1 | 155.3 | -178.8 | -74.2 | 164.5 | 174 | 0 | 0 | 112.7 | L110 Y124 M150 D156 W157 F160 | L110-M152 HydrophobicContact CD1-CE 3.78Å; Y124-M152 HydrophobicContact CD1-CE 4.47Å; Y124-M152 HydrophobicContact CD1-CG 3.69Å; Y124-M152 HydrophobicContact CD2-CE 4.25Å; Y124-M152 HydrophobicContact CD2-CG 4.22Å; Y124-M152 HydrophobicContact CE1-CB 4Å; Y124-M152 HydrophobicContact CE1-CG 3.54Å; Y124-M152 HydrophobicContact CE2-CG 4.08Å; Y124-M152 HydrophobicContact CG-CE 4.02Å; Y124-M152 HydrophobicContact CG-CG 4.03Å; M150-M152 HydrophobicContact CB-CE 4.18Å; M150-M152 HydrophobicContact CB-CG 4.07Å; M150-M152 HydrophobicContact CB-SD 3.96Å; M150-M152 HydrophobicContact CG-CE 4.38Å; M150-M152 PolarHBondContact O-N 3.07Å; M150-M152 HydrophobicContact SD-CE 3.88Å; M152-D156 HydrophobicContact CB-CB 4.21Å; M152-W157 HydrophobicContact CB-CB 3.92Å; M152-W157 HydrophobicContact SD-CE3 4.07Å; M152-F160 HydrophobicContact CE-CB 4.2Å; M152-F160 HydrophobicContact CE-CD1 3.79Å; M152-F160 HydrophobicContact CE-CD2 4.33Å; M152-F160 HydrophobicContact CE-CE1 4.21Å; M152-F160 HydrophobicContact CE-CG 3.86Å; M152-F160 HydrophobicContact SD-CB 3.84Å; M152-F160 HydrophobicContact SD-CD1 3.73Å; M152-F160 HydrophobicContact SD-CG 3.95Å |
| 153 | N | 96.7 | Very high | 97.5 | Very high | 72 Ų | 72 | 61.3 Ų | 61.3 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | | | trans | -53.4 | 155.7 | 164.9 | -63.1 | -42.8 | 0 | 0 | 0 | 110.7 | Y124 G155 D156 W157 | Y124-N153 PolarHBondContact OH-N 3.08Å; Y124-N153 PolarHBondContact OH-ND2 3.09Å; Y124-N153 VanDerWaalsContact OH-ND2 3.13Å; N153-G155 VanDerWaalsContact C-N 3.33Å; N153-G155 PolarHBondContact O-N 3.49Å; N153-D156 HydrophobicContact CB-CB 4.34Å; N153-D156 WeakPolarHBondContact CB-OD2 3.38Å; N153-D156 PolarHBondContact ND2-OD2 2.75Å; N153-D156 PolarHBondContact O-N 3.14Å; N153-W157 VanDerWaalsContact O-CB 3.23Å; N153-W157 WeakPolarHBondContact O-CB 3.35Å; N153-W157 PolarHBondContact O-N 3.45Å |
| 154 | F | 97.6 | Very high | 97.5 | Very high | 156 Ų | 156 | 60.5 Ų | 60.5 | 68% | 0.684 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -55.2 | -44.3 | -178.4 | 180 | -95.9 | 0 | 0 | 0 | 113.2 | H158 | F154-H158 AromaticContact CE1-CD2 3.97Å; F154-H158 AromaticContact CE2-CD2 3.76Å; F154-H158 AromaticContact CE2-NE2 3.58Å; F154-H158 AromaticContact CZ-CD2 3.66Å; F154-H158 AromaticContact CZ-NE2 3.56Å; F154-H158 PolarHBondContact O-CD2 3.17Å; F154-H158 VanDerWaalsContact O-CD2 3.32Å; F154-H158 PolarHBondContact O-N 2.8Å |
| 155 | G | 97.5 | Very high | 97.5 | Very high | 42 Ų | 42 | 59.9 Ų | 59.9 | 43% | 0.433 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65 | -58.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | N153 W157 H158 L159 | N153-G155 VanDerWaalsContact C-N 3.33Å; N153-G155 PolarHBondContact O-N 3.49Å; G155-W157 PolarHBondContact O-N 3.16Å; G155-H158 WeakPolarHBondContact O-CA 3.39Å; G155-H158 WeakPolarHBondContact O-CB 3.4Å; G155-H158 PolarHBondContact O-N 3.08Å; G155-L159 PolarHBondContact O-N 3.31Å |
| 156 | D | 98 | Very high | 97.4 | Very high | 9 Ų | 9 | 60.6 Ų | 60.6 | 5% | 0.048 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -52.2 | -42.1 | 178.7 | -58 | -33.4 | 0 | 0 | 0 | 112.4 | L116 D117 Y124 M152 N153 L159 F160 | L116-D156 WeakPolarHBondContact CA-OD1 3.48Å; L116-D156 HydrophobicContact CD1-CB 4.46Å; L116-D156 HydrophobicContact CG-CB 4.26Å; D117-D156 WeakPolarHBondContact CB-OD2 3.18Å; D117-D156 PolarHBondContact N-OD1 2.89Å; Y124-D156 HydrophobicContact CE2-CB 3.79Å; Y124-D156 WeakPolarHBondContact CE2-OD2 3.34Å; Y124-D156 PolarHBondContact OH-OD2 2.8Å; M152-D156 HydrophobicContact CB-CB 4.21Å; N153-D156 HydrophobicContact CB-CB 4.34Å; N153-D156 WeakPolarHBondContact CB-OD2 3.38Å; N153-D156 PolarHBondContact ND2-OD2 2.75Å; N153-D156 PolarHBondContact O-N 3.14Å; D156-L159 PolarHBondContact O-N 2.95Å; D156-F160 WeakPolarHBondContact O-CB 3.34Å; D156-F160 PolarHBondContact O-N 3.35Å |
| 157 | W | 98.2 | Very high | 97.2 | Very high | 3 Ų | 3 | 61.6 Ų | 61.6 | 1% | 0.011 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 175.2 | 172.3 | -107.3 | 0 | 0 | 0 | 112.3 | I143 L146 K147 M150 M152 N153 G155 F160 R161 | I143-W157 HydrophobicContact CG2-CH2 4.11Å; I143-W157 HydrophobicContact CG2-CZ2 3.69Å; I143-W157 WeakPolarHBondContact O-CH2 3.16Å; I143-W157 WeakPolarHBondContact O-CZ2 3.13Å; L146-W157 HydrophobicContact CB-CH2 4.1Å; L146-W157 HydrophobicContact CD2-CH2 4.04Å; L146-W157 HydrophobicContact CD2-CZ3 4.29Å; L146-W157 HydrophobicContact CG-CH2 3.93Å; L146-W157 HydrophobicContact CG-CZ3 4.02Å; K147-W157 VanDerWaalsContact CA-CH2 3.49Å; K147-W157 HydrophobicContact CB-CD2 4.17Å; K147-W157 HydrophobicContact CB-CE3 4.4Å; K147-W157 HydrophobicContact CB-CH2 3.79Å; K147-W157 HydrophobicContact CB-CZ2 3.49Å; K147-W157 VanDerWaalsContact CB-CZ2 3.49Å; K147-W157 HydrophobicContact CB-CZ3 4.23Å; K147-W157 HydrophobicContact CD-CD2 4.39Å; K147-W157 HydrophobicContact CD-CG 4.44Å; K147-W157 HydrophobicContact CD-CZ2 4.38Å; K147-W157 HydrophobicContact CG-CD2 3.8Å; K147-W157 HydrophobicContact CG-CE3 4.34Å; K147-W157 HydrophobicContact CG-CG 4.17Å; K147-W157 HydrophobicContact CG-CH2 4.49Å; K147-W157 HydrophobicContact CG-CZ2 3.95Å; K147-W157 VanDerWaalsContact N-CH2 3.33Å; M150-W157 HydrophobicContact CB-CE3 4.48Å; M150-W157 HydrophobicContact CB-CZ3 4.34Å; M150-W157 HydrophobicContact CG-CZ3 4.3Å; M152-W157 HydrophobicContact CB-CB 3.92Å; M152-W157 HydrophobicContact SD-CE3 4.07Å; N153-W157 VanDerWaalsContact O-CB 3.23Å; N153-W157 WeakPolarHBondContact O-CB 3.35Å; N153-W157 PolarHBondContact O-N 3.45Å; G155-W157 PolarHBondContact O-N 3.16Å; W157-F160 HydrophobicContact CE3-CD1 4.24Å; W157-F160 AromaticContact CZ3-CD1 3.91Å; W157-F160 HydrophobicContact CZ3-CD1 3.91Å; W157-F160 HydrophobicContact CZ3-CE1 4.37Å; W157-R161 HydrophobicContact CH2-CB 4.46Å; W157-R161 HydrophobicContact CZ2-CB 4.01Å; W157-R161 HydrophobicContact CZ2-CG 4.23Å; W157-R161 WeakPolarHBondContact O-CB 3.32Å; W157-R161 PolarHBondContact O-N 3.49Å |
| 158 | H | 98.3 | Very high | 97.1 | Very high | 86 Ų | 86 | 59.4 Ų | 59.4 | 40% | 0.398 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 178.7 | -94 | -84.5 | 0 | 0 | 0 | 112.1 | F154 G155 S162 | F154-H158 AromaticContact CE1-CD2 3.97Å; F154-H158 AromaticContact CE2-CD2 3.76Å; F154-H158 AromaticContact CE2-NE2 3.58Å; F154-H158 AromaticContact CZ-CD2 3.66Å; F154-H158 AromaticContact CZ-NE2 3.56Å; F154-H158 PolarHBondContact O-CD2 3.17Å; F154-H158 VanDerWaalsContact O-CD2 3.32Å; F154-H158 PolarHBondContact O-N 2.8Å; G155-H158 WeakPolarHBondContact O-CA 3.39Å; G155-H158 WeakPolarHBondContact O-CB 3.4Å; G155-H158 PolarHBondContact O-N 3.08Å; H158-S162 WeakPolarHBondContact O-CB 3.33Å; H158-S162 PolarHBondContact O-N 3.38Å; H158-S162 PolarHBondContact O-OG 3.3Å |
| 159 | L | 98.3 | Very high | 96.9 | Very high | 60 Ų | 60 | 54.8 Ų | 54.8 | 31% | 0.314 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.4 | -50 | 174.5 | -60.1 | 170.3 | 0 | 0 | 0 | 111.5 | I113 L116 G155 D156 R161 S162 M163 | I113-L159 HydrophobicContact CG2-CB 3.55Å; I113-L159 HydrophobicContact CG2-CD1 4.18Å; I113-L159 HydrophobicContact CG2-CG 4.37Å; L116-L159 HydrophobicContact CB-CD1 4.26Å; G155-L159 PolarHBondContact O-N 3.31Å; D156-L159 PolarHBondContact O-N 2.95Å; L159-R161 PolarHBondContact O-N 3.25Å; L159-S162 WeakPolarHBondContact O-CB 3.37Å; L159-S162 PolarHBondContact O-N 3.36Å; L159-S162 VanDerWaalsContact O-N 3.14Å; L159-M163 PolarHBondContact O-N 2.97Å |
| 160 | F | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 177.5 | -179 | -114.9 | 0 | 0 | 0 | 112.8 | L110 I113 L138 L146 M150 M152 D156 W157 S162 M163 V164 | L110-F160 HydrophobicContact CD1-CB 4.4Å; L110-F160 HydrophobicContact CD1-CD2 3.42Å; L110-F160 VanDerWaalsContact CD1-CD2 3.42Å; L110-F160 HydrophobicContact CD1-CE2 3.89Å; L110-F160 HydrophobicContact CD1-CG 4.09Å; I113-F160 HydrophobicContact CD1-CB 4.21Å; I113-F160 HydrophobicContact CD1-CD2 4.09Å; L138-F160 HydrophobicContact CD1-CZ 4.21Å; L138-F160 HydrophobicContact CD2-CE1 4.42Å; L138-F160 HydrophobicContact CD2-CZ 3.97Å; L146-F160 HydrophobicContact CD1-CE1 4.39Å; L146-F160 HydrophobicContact CD2-CE1 3.98Å; L146-F160 HydrophobicContact CG-CE1 4.3Å; M150-F160 HydrophobicContact CG-CD1 4.44Å; M150-F160 HydrophobicContact CG-CE1 3.89Å; M150-F160 HydrophobicContact SD-CD1 4.42Å; M150-F160 HydrophobicContact SD-CE1 3.61Å; M150-F160 HydrophobicContact SD-CZ 3.94Å; M152-F160 HydrophobicContact CE-CB 4.2Å; M152-F160 HydrophobicContact CE-CD1 3.79Å; M152-F160 HydrophobicContact CE-CD2 4.33Å; M152-F160 HydrophobicContact CE-CE1 4.21Å; M152-F160 HydrophobicContact CE-CG 3.86Å; M152-F160 HydrophobicContact SD-CB 3.84Å; M152-F160 HydrophobicContact SD-CD1 3.73Å; M152-F160 HydrophobicContact SD-CG 3.95Å; D156-F160 WeakPolarHBondContact O-CB 3.34Å; D156-F160 PolarHBondContact O-N 3.35Å; W157-F160 HydrophobicContact CE3-CD1 4.24Å; W157-F160 AromaticContact CZ3-CD1 3.91Å; W157-F160 HydrophobicContact CZ3-CD1 3.91Å; W157-F160 HydrophobicContact CZ3-CE1 4.37Å; F160-S162 VanDerWaalsContact C-N 3.25Å; F160-S162 PolarHBondContact O-N 2.97Å; F160-M163 HydrophobicContact CD2-CE 3.7Å; F160-M163 HydrophobicContact CE2-CE 3.67Å; F160-M163 PolarHBondContact O-N 3.32Å; F160-V164 HydrophobicContact CD1-CG2 4.48Å; F160-V164 HydrophobicContact CD2-CG2 4.34Å; F160-V164 HydrophobicContact CE1-CG2 4.17Å; F160-V164 HydrophobicContact CE2-CG2 4.02Å; F160-V164 HydrophobicContact CZ-CG2 3.93Å; F160-V164 WeakPolarHBondContact O-CG2 3.33Å; F160-V164 PolarHBondContact O-N 3.37Å |
| 161 | R | 98.1 | Very high | 96 | Very high | 80 Ų | 80 | 53.9 Ų | 53.9 | 30% | 0.302 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.1 | -37.3 | 173.4 | 177.3 | 173.2 | 174.1 | 138.6 | -1.8 | 111.6 | I143 D144 W157 L159 L165 | I143-R161 HydrophobicContact CG2-CG 3.9Å; I143-R161 VanDerWaalsContact CG2-CZ 3.49Å; I143-R161 VanDerWaalsContact CG2-NH1 3.29Å; D144-R161 IonicContact OD1-NH1 2.65Å; D144-R161 PolarHBondContact OD1-NH1 3.19Å; W157-R161 HydrophobicContact CH2-CB 4.46Å; W157-R161 HydrophobicContact CZ2-CB 4.01Å; W157-R161 HydrophobicContact CZ2-CG 4.23Å; W157-R161 WeakPolarHBondContact O-CB 3.32Å; W157-R161 PolarHBondContact O-N 3.49Å; L159-R161 PolarHBondContact O-N 3.25Å; R161-L165 HydrophobicContact CG-CD1 3.88Å; R161-L165 HydrophobicContact CG-CG 4.49Å; R161-L165 WeakPolarHBondContact O-CB 3.49Å; R161-L165 VanDerWaalsContact O-CG 3.24Å; R161-L165 WeakPolarHBondContact O-CG 3.33Å; R161-L165 PolarHBondContact O-N 3.38Å; R161-L165 VanDerWaalsContact O-N 3.07Å |
| 162 | S | 97.9 | Very high | 95.2 | Very high | 70 Ų | 70 | 56.3 Ų | 56.3 | 49% | 0.49 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.6 | -50.2 | 178.8 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | H158 L159 F160 V164 L165 E166 | H158-S162 WeakPolarHBondContact O-CB 3.33Å; H158-S162 PolarHBondContact O-N 3.38Å; H158-S162 PolarHBondContact O-OG 3.3Å; L159-S162 WeakPolarHBondContact O-CB 3.37Å; L159-S162 PolarHBondContact O-N 3.36Å; L159-S162 VanDerWaalsContact O-N 3.14Å; F160-S162 VanDerWaalsContact C-N 3.25Å; F160-S162 PolarHBondContact O-N 2.97Å; S162-V164 VanDerWaalsContact C-N 3.33Å; S162-V164 PolarHBondContact O-N 3.41Å; S162-L165 PolarHBondContact O-N 2.88Å; S162-E166 WeakPolarHBondContact O-CB 3.5Å; S162-E166 PolarHBondContact O-N 3.13Å |
| 163 | M | 96.8 | Very high | 93.8 | Very high | 25 Ų | 25 | 63 Ų | 63 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.5 | -44.5 | 174.3 | -175.8 | -163.1 | 72.5 | 0 | 0 | 112.3 | K109 I113 L159 F160 L165 M167 | K109-M163 HydrophobicContact CB-CE 4.26Å; K109-M163 HydrophobicContact CB-SD 3.88Å; I113-M163 HydrophobicContact CD1-CB 4.17Å; I113-M163 HydrophobicContact CD1-CE 4.21Å; I113-M163 HydrophobicContact CD1-SD 3.73Å; I113-M163 HydrophobicContact CG1-SD 3.81Å; L159-M163 PolarHBondContact O-N 2.97Å; F160-M163 HydrophobicContact CD2-CE 3.7Å; F160-M163 HydrophobicContact CE2-CE 3.67Å; F160-M163 PolarHBondContact O-N 3.32Å; M163-L165 PolarHBondContact O-N 3.03Å; M163-M167 WeakPolarHBondContact O-CB 3.45Å; M163-M167 WeakPolarHBondContact O-CG 3.24Å; M163-M167 PolarHBondContact O-N 3.24Å |
| 164 | V | 97.2 | Very high | 92 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.2 | -39 | 179.4 | 171.5 | 0 | 0 | 0 | 0 | 111.9 | L138 I143 F160 S162 R168 | L138-V164 HydrophobicContact CB-CG1 4.46Å; L138-V164 HydrophobicContact CD1-CG2 4.21Å; L138-V164 HydrophobicContact CD2-CG1 4.46Å; L138-V164 HydrophobicContact CD2-CG2 4.01Å; L138-V164 WeakPolarHBondContact O-CG1 3.24Å; I143-V164 HydrophobicContact CD1-CG1 4.27Å; F160-V164 HydrophobicContact CD1-CG2 4.48Å; F160-V164 HydrophobicContact CD2-CG2 4.34Å; F160-V164 HydrophobicContact CE1-CG2 4.17Å; F160-V164 HydrophobicContact CE2-CG2 4.02Å; F160-V164 HydrophobicContact CZ-CG2 3.93Å; F160-V164 WeakPolarHBondContact O-CG2 3.33Å; F160-V164 PolarHBondContact O-N 3.37Å; S162-V164 VanDerWaalsContact C-N 3.33Å; S162-V164 PolarHBondContact O-N 3.41Å; V164-R168 WeakPolarHBondContact O-CG 3.41Å; V164-R168 PolarHBondContact O-N 3.11Å; V164-R168 VanDerWaalsContact O-N 3.08Å |
| 165 | L | 96.5 | Very high | 89.4 | Confident | 74 Ų | 74 | 61 Ų | 61 | 39% | 0.387 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -73.9 | -38.2 | 179 | -70.4 | 172 | 0 | 0 | 0 | 112.7 | I143 R161 S162 M163 R168 S169 | I143-L165 HydrophobicContact CD1-CD2 4.14Å; I143-L165 HydrophobicContact CG1-CD2 4.32Å; R161-L165 HydrophobicContact CG-CD1 3.88Å; R161-L165 HydrophobicContact CG-CG 4.49Å; R161-L165 WeakPolarHBondContact O-CB 3.49Å; R161-L165 VanDerWaalsContact O-CG 3.24Å; R161-L165 WeakPolarHBondContact O-CG 3.33Å; R161-L165 PolarHBondContact O-N 3.38Å; R161-L165 VanDerWaalsContact O-N 3.07Å; S162-L165 PolarHBondContact O-N 2.88Å; M163-L165 PolarHBondContact O-N 3.03Å; L165-R168 PolarHBondContact O-N 2.84Å; L165-S169 PolarHBondContact O-N 2.59Å |
| 166 | E | 94.9 | Very high | 87 | Confident | 128 Ų | 128 | 64.2 Ų | 64.2 | 60% | 0.598 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59.9 | -49.1 | 170.6 | 178.4 | -175.9 | -156.6 | 0 | 0 | 111 | S162 R168 S169 V170 | S162-E166 WeakPolarHBondContact O-CB 3.5Å; S162-E166 PolarHBondContact O-N 3.13Å; E166-R168 VanDerWaalsContact C-N 3.28Å; E166-R168 PolarHBondContact O-N 3.01Å; E166-S169 PolarHBondContact O-N 2.95Å; E166-S169 VanDerWaalsContact O-N 3.08Å; E166-S169 PolarHBondContact O-OG 3.08Å; E166-V170 WeakPolarHBondContact O-CG2 3.18Å; E166-V170 PolarHBondContact O-N 2.92Å |
| 167 | M | 93.6 | Very high | 84.4 | Confident | 29 Ų | 29 | 72.2 Ų | 72.2 | 14% | 0.143 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.3 | -30.9 | 179 | -76.6 | -151.8 | 72.3 | 0 | 0 | 113.3 | L96 L98 M101 M163 E171 | L96-M167 VanDerWaalsContact O-CE 3.24Å; L96-M167 WeakPolarHBondContact O-CE 3.4Å; L98-M167 HydrophobicContact CB-CB 4.14Å; L98-M167 HydrophobicContact CB-CE 4.09Å; L98-M167 HydrophobicContact CD1-CB 4Å; L98-M167 HydrophobicContact CD1-CE 4.15Å; L98-M167 HydrophobicContact CD1-SD 4.01Å; L98-M167 HydrophobicContact CD2-CB 3.89Å; L98-M167 HydrophobicContact CG-CB 4.22Å; M101-M167 HydrophobicContact CE-CE 3.34Å; M101-M167 HydrophobicContact CE-SD 3.94Å; M101-M167 HydrophobicContact SD-CE 3.84Å; M101-M167 HydrophobicContact SD-SD 4.07Å; M163-M167 WeakPolarHBondContact O-CB 3.45Å; M163-M167 WeakPolarHBondContact O-CG 3.24Å; M163-M167 PolarHBondContact O-N 3.24Å; M167-E171 WeakPolarHBondContact O-CB 3.09Å; M167-E171 PolarHBondContact O-N 2.9Å; M167-E171 VanDerWaalsContact O-N 3.08Å |
| 168 | R | 95.5 | Very high | 81.2 | Confident | 46 Ų | 46 | 76.3 Ų | 76.3 | 17% | 0.174 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 169.8 | -75.5 | 179.4 | -168.5 | -158.9 | 1 | 112.6 | L98 L138 A139 C141 V164 L165 E166 N172 | L98-R168 HydrophobicContact CD2-CG 3.67Å; L138-R168 PolarHBondContact O-NE 2.82Å; L138-R168 PolarHBondContact O-NH2 3.04Å; A139-R168 VanDerWaalsContact O-CZ 3.27Å; A139-R168 PolarHBondContact O-NE 3.45Å; A139-R168 VanDerWaalsContact O-NE 3.16Å; C141-R168 PolarHBondContact O-NH1 3.44Å; C141-R168 VanDerWaalsContact O-NH1 3.16Å; C141-R168 PolarHBondContact O-NH2 2.95Å; C141-R168 PolarHBondContact SG-NH2 3.03Å; V164-R168 WeakPolarHBondContact O-CG 3.41Å; V164-R168 PolarHBondContact O-N 3.11Å; V164-R168 VanDerWaalsContact O-N 3.08Å; L165-R168 PolarHBondContact O-N 2.84Å; E166-R168 VanDerWaalsContact C-N 3.28Å; E166-R168 PolarHBondContact O-N 3.01Å; R168-N172 WeakPolarHBondContact O-CB 3.44Å; R168-N172 VanDerWaalsContact O-CG 3.27Å; R168-N172 PolarHBondContact O-N 3.49Å |
| 169 | S | 93.1 | Very high | 78.5 | Confident | 61 Ų | 61 | 78.2 Ų | 78.2 | 43% | 0.427 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -72.5 | -33.3 | -179.2 | 71.1 | 0 | 0 | 0 | 0 | 112.5 | L165 E166 Q173 | L165-S169 PolarHBondContact O-N 2.59Å; E166-S169 PolarHBondContact O-N 2.95Å; E166-S169 VanDerWaalsContact O-N 3.08Å; E166-S169 PolarHBondContact O-OG 3.08Å; S169-Q173 PolarHBondContact O-N 3.05Å |
| 170 | V | 88.8 | Confident | 75.4 | Confident | 67 Ų | 67 | 83 Ų | 83 | 41% | 0.406 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.1 | -49.2 | 170.7 | 175 | 0 | 0 | 0 | 0 | 110.7 | E166 N172 Q173 V174 | E166-V170 WeakPolarHBondContact O-CG2 3.18Å; E166-V170 PolarHBondContact O-N 2.92Å; V170-N172 VanDerWaalsContact C-N 3.35Å; V170-N172 PolarHBondContact O-N 2.67Å; V170-Q173 PolarHBondContact O-N 3.33Å; V170-Q173 VanDerWaalsContact O-N 3.14Å; V170-V174 WeakPolarHBondContact O-CG2 3.49Å; V170-V174 PolarHBondContact O-N 2.92Å |
| 171 | E | 88.1 | Confident | 72.2 | Confident | 22 Ų | 22 | 92.4 Ų | 92.4 | 10% | 0.103 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 179.2 | 178.7 | 156.8 | -94.6 | 0 | 0 | 112.5 | L97 L98 S99 M167 Q173 V174 | L97-E171 VanDerWaalsContact C-OE1 3.28Å; L97-E171 WeakPolarHBondContact CB-OE1 3.41Å; L97-E171 HydrophobicContact CD2-CG 4.33Å; L97-E171 HydrophobicContact CG-CG 4.15Å; L97-E171 WeakPolarHBondContact CG-OE1 3.48Å; L98-E171 HydrophobicContact CB-CB 4.48Å; L98-E171 PolarHBondContact N-OE1 3.06Å; S99-E171 WeakPolarHBondContact CB-OE1 3.43Å; S99-E171 VanDerWaalsContact CB-OE2 3.28Å; S99-E171 WeakPolarHBondContact CB-OE2 3.23Å; S99-E171 VanDerWaalsContact N-CD 3.34Å; S99-E171 PolarHBondContact N-OE1 3.38Å; S99-E171 PolarHBondContact N-OE2 2.83Å; S99-E171 VanDerWaalsContact N-OE2 3.09Å; S99-E171 PolarHBondContact OG-OE2 3.16Å; M167-E171 WeakPolarHBondContact O-CB 3.09Å; M167-E171 PolarHBondContact O-N 2.9Å; M167-E171 VanDerWaalsContact O-N 3.08Å; E171-Q173 PolarHBondContact O-N 3.18Å; E171-V174 PolarHBondContact O-N 3.07Å; E171-V174 VanDerWaalsContact O-N 3.07Å |
| 172 | N | 79.7 | Confident | 69.2 | Low | 129 Ų | 129 | 97 Ų | 97 | 69% | 0.69 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.8 | -15.7 | 177.9 | -75 | -8.8 | 0 | 0 | 0 | 114.5 | R168 V170 | R168-N172 WeakPolarHBondContact O-CB 3.44Å; R168-N172 VanDerWaalsContact O-CG 3.27Å; R168-N172 PolarHBondContact O-N 3.49Å; V170-N172 VanDerWaalsContact C-N 3.35Å; V170-N172 PolarHBondContact O-N 2.67Å |
| 173 | Q | 67.6 | Low | 66.2 | Low | 163 Ų | 163 | 99.4 Ų | 99.4 | 76% | 0.762 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -3.7 | 173.6 | -71.3 | -175.7 | 108.2 | 0 | 0 | 113.3 | S169 V170 E171 V175 | S169-Q173 PolarHBondContact O-N 3.05Å; V170-Q173 PolarHBondContact O-N 3.33Å; V170-Q173 VanDerWaalsContact O-N 3.14Å; E171-Q173 PolarHBondContact O-N 3.18Å; Q173-V175 PolarHBondContact O-N 3.21Å |
| 174 | V | 58.7 | Low | 62.9 | Low | 78 Ų | 78 | 106.9 Ų | 106.9 | 47% | 0.473 | 55% | 0.55 | S | S | . | . | | | trans | -103.1 | 45.2 | -178.8 | -175.4 | 0 | 0 | 0 | 0 | 110.9 | L97 V170 E171 | L97-V174 HydrophobicContact CD1-CB 4.43Å; L97-V174 HydrophobicContact CD1-CG1 4Å; V170-V174 WeakPolarHBondContact O-CG2 3.49Å; V170-V174 PolarHBondContact O-N 2.92Å; E171-V174 PolarHBondContact O-N 3.07Å; E171-V174 VanDerWaalsContact O-N 3.07Å |
| 175 | V | 42.3 | Very low | 60 | Low | 108 Ų | 108 | 112.7 Ų | 112.7 | 66% | 0.655 | 58% | 0.581 | S | S | * | * | | | trans | -117.9 | 87.5 | 166.4 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | Q173 | Q173-V175 PolarHBondContact O-N 3.21Š|
| 176 | P | 47.3 | Very low | 56.7 | Low | 109 Ų | 109 | 114.3 Ų | 114.3 | 71% | 0.708 | 60% | 0.599 | S | S | * | * | | | trans | -76.8 | 130.6 | 163 | -7.8 | 25.8 | 0 | 0 | 0 | 109.8 | | |
| 177 | E | 43.8 | Very low | 53.3 | Low | 178 Ų | 178 | 114 Ų | 114 | 83% | 0.832 | 61% | 0.61 | S | S | * | * | | | trans | -71.2 | 132.5 | 168.4 | -79.1 | -72.4 | 115.4 | 0 | 0 | 111 | | |
| 178 | D | 30.5 | Very low | 50.1 | Low | 89 Ų | 89 | 116.6 Ų | 116.6 | 48% | 0.476 | 64% | 0.636 | S | S | . | * | | | trans | 0.5 | 112.3 | -177.6 | -160 | 1.6 | 0 | 0 | 0 | 120.8 | R180 | D178-R180 PolarHBondContact O-N 3.14Å; D178-R180 WeakPolarHBondContact OD1-CG 3.5Å; D178-R180 IonicContact OD1-NE 3.16Å; D178-R180 PolarHBondContact OD1-NE 2.89Å; D178-R180 IonicContact OD2-CZ 2.76Å; D178-R180 IonicContact OD2-NE 2.63Å; D178-R180 PolarHBondContact OD2-NE 3.36Å; D178-R180 IonicContact OD2-NH2 3.73Å; D178-R180 PolarHBondContact OD2-NH2 3.03Å |
| 179 | P | 41.8 | Very low | 47.2 | Very low | 126 Ų | 126 | 120.2 Ų | 120.2 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | | | trans | -85.1 | 68 | 177.8 | 36.6 | -36.6 | 0 | 0 | 0 | 113.4 | | |
| 180 | R | 32.8 | Very low | 44.4 | Very low | 159 Ų | 159 | 124.7 Ų | 124.7 | 60% | 0.6 | 69% | 0.69 | S | S | * | * | | | trans | -143.2 | 103.6 | 176.8 | -62.9 | -179.4 | -54.4 | 114.4 | -0.2 | 113.8 | D178 | D178-R180 PolarHBondContact O-N 3.14Å; D178-R180 WeakPolarHBondContact OD1-CG 3.5Å; D178-R180 IonicContact OD1-NE 3.16Å; D178-R180 PolarHBondContact OD1-NE 2.89Å; D178-R180 IonicContact OD2-CZ 2.76Å; D178-R180 IonicContact OD2-NE 2.63Å; D178-R180 PolarHBondContact OD2-NE 3.36Å; D178-R180 IonicContact OD2-NH2 3.73Å; D178-R180 PolarHBondContact OD2-NH2 3.03Å |
| 181 | F | 31.1 | Very low | 41.6 | Very low | 199 Ų | 199 | 126.1 Ų | 126.1 | 87% | 0.873 | 71% | 0.709 | S | S | * | * | | | trans | -177.6 | 85.2 | 132.1 | -90 | -56.4 | 0 | 0 | 0 | 110 | | |
| 182 | L | 36.3 | Very low | 38.8 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 92% | 0.916 | 75% | 0.748 | S | S | * | * | | | trans | -88.7 | 125.3 | 159.5 | -83.9 | 176 | 0 | 0 | 0 | 109.5 | | |
| 183 | N | 34.3 | Very low | 36.3 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 65% | 0.647 | 75% | 0.746 | S | S | * | * | | | trans | 60.3 | 109.3 | 148.8 | -170.1 | 82.6 | 0 | 0 | 0 | 119.6 | N185 | N183-N185 PolarHBondContact OD1-OD1 2.88Š|
| 184 | E | 27.5 | Very low | 34.4 | Very low | 182 Ų | 182 | 132.9 Ų | 132.9 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | | | trans | -136.5 | 128.7 | 142.3 | -174.5 | 72 | 109.4 | 0 | 0 | 107.9 | | |
| 185 | N | 35.3 | Very low | 32.9 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 66% | 0.658 | 77% | 0.769 | S | S | * | * | | | trans | -104.1 | 150.2 | -175.1 | -99.5 | 118.6 | 0 | 0 | 0 | 112.4 | N183 | N183-N185 PolarHBondContact OD1-OD1 2.88Š|
| 186 | S | 27.2 | Very low | 32.1 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | 78.4 | 112.7 | 155.5 | 76.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 187 | S | 25 | Very low | 31.2 | Very low | 121 Ų | 121 | 139 Ų | 139 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | | 172.6 | 135.4 | 121.2 | -78.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 188 | A | 26 | Very low | 30.6 | Very low | 83 Ų | 83 | 141.9 Ų | 141.9 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | | | cis | -159.3 | 152.5 | -14.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 189 | P | 34.9 | Very low | 30.2 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | trans | -79.6 | 134.6 | 172 | 32 | -32.7 | 0 | 0 | 0 | 111.2 | A191 | P189-A191 PolarHBondContact O-N 3.4Š|
| 190 | V | 32.6 | Very low | 29.4 | Very low | 154 Ų | 154 | 141.9 Ų | 141.9 | 93% | 0.933 | 78% | 0.784 | S | S | * | * | | | trans | -86.3 | 102.7 | 169.2 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 191 | A | 30.2 | Very low | 29.1 | Very low | 97 Ų | 97 | 142.9 Ų | 142.9 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | trans | -133.7 | 130.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | P189 | P189-A191 PolarHBondContact O-N 3.4Š|
| 192 | H | 29.3 | Very low | 28.8 | Very low | 200 Ų | 200 | 138 Ų | 138 | 93% | 0.926 | 79% | 0.786 | S | S | * | * | | | trans | -99.7 | 125 | -171.9 | 177.9 | 90 | 0 | 0 | 0 | 110.1 | | |
| 193 | G | 29 | Very low | 28.3 | Very low | 62 Ų | 62 | 138.4 Ų | 138.4 | 64% | 0.639 | 78% | 0.783 | S | S | * | * | | | trans | 155 | 94.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 194 | E | 27.1 | Very low | 28.2 | Very low | 194 Ų | 194 | 140.7 Ų | 140.7 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | | | trans | 41.1 | 97.8 | 136.9 | -55.8 | -170.2 | 105.3 | 0 | 0 | 121.8 | | |
| 195 | S | 25.9 | Very low | 29.1 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | | | | 51.8 | 99.6 | 111.7 | -156.4 | 0 | 0 | 0 | 0 | 121.3 | | |
| 196 | A | 26.5 | Very low | 28.9 | Very low | 80 Ų | 80 | 140 Ų | 140 | 66% | 0.661 | 80% | 0.796 | S | S | * | * | | | | 92.8 | 132 | 123.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 197 | R | 28.9 | Very low | 29 | Very low | 228 Ų | 228 | 140.3 Ų | 140.3 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | 94.3 | 103.8 | 150.2 | -61.5 | 156.8 | -178.8 | 175.7 | 1.6 | 120.5 | | |
| 198 | R | 30.2 | Very low | 29.2 | Very low | 239 Ų | 239 | 142.6 Ų | 142.6 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | | | trans | 69.3 | 157.2 | 137.5 | -64.1 | -173.3 | -177.5 | -140 | -1.2 | 116.4 | | |
| 199 | T | 21.9 | Very low | 29.7 | Very low | 120 Ų | 120 | 146 Ų | 146 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | | | cis | -150.4 | 167.9 | -6.3 | -117.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 200 | S | 25.3 | Very low | 29.3 | Very low | 94 Ų | 94 | 145.4 Ų | 145.4 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | | | trans | -54.7 | 145.4 | -179 | 54.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 201 | H | 26.2 | Very low | 29.1 | Very low | 181 Ų | 181 | 142.2 Ų | 142.2 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | | | trans | -158.6 | 129.2 | 130.2 | -92.3 | -84.2 | 0 | 0 | 0 | 105.9 | | |
| 202 | S | 25.9 | Very low | 29.3 | Very low | 96 Ų | 96 | 146.4 Ų | 146.4 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | | | cis | 85.7 | 102.4 | 43.2 | -167.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 203 | E | 26.2 | Very low | 29.3 | Very low | 184 Ų | 184 | 143.5 Ų | 143.5 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | | 175.9 | 179.6 | 110 | -84 | -159.8 | 129.7 | 0 | 0 | 111.3 | | |
| 204 | L | 32.2 | Very low | 30.1 | Very low | 169 Ų | 169 | 145.2 Ų | 145.2 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | | | trans | -120.5 | -141.6 | -160.1 | -61.8 | 166.2 | 0 | 0 | 0 | 113.8 | | |
| 205 | P | 45.9 | Very low | 30.6 | Very low | 101 Ų | 101 | 146 Ų | 146 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | | | | -130.8 | 153.1 | -124.5 | 38.6 | -17.8 | 0 | 0 | 0 | 117.1 | | |
| 206 | H | 29.8 | Very low | 31.1 | Very low | 189 Ų | 189 | 146.7 Ų | 146.7 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | | | trans | -137.5 | 96 | 170.4 | -72.6 | -58.8 | 0 | 0 | 0 | 114.8 | | |
| 207 | T | 29.6 | Very low | 32 | Very low | 116 Ų | 116 | 149 Ų | 149 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | | | | 23.9 | 121.8 | 128.2 | -41.8 | 0 | 0 | 0 | 0 | 120.2 | | |
| 208 | E | 30 | Very low | 32.8 | Very low | 169 Ų | 169 | 145.5 Ų | 145.5 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | 22.8 | 153 | 135.1 | -36 | -172.9 | 154 | 0 | 0 | 121.2 | | |
| 209 | L | 36 | Very low | 33.9 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | | | cis | -162 | 144 | 18.9 | -174.8 | 68.7 | 0 | 0 | 0 | 110.4 | | |
| 210 | S | 26.3 | Very low | 35.1 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | | | trans | -166.7 | 119.9 | 141.9 | -147.9 | 0 | 0 | 0 | 0 | 115.9 | | |
| 211 | S | 29.5 | Very low | 35.8 | Very low | 88 Ų | 88 | 139.1 Ų | 139.1 | 62% | 0.615 | 74% | 0.74 | S | S | * | * | | | trans | 23 | 122.5 | 148.3 | 64 | 0 | 0 | 0 | 0 | 123.6 | | |
| 212 | Q | 33 | Very low | 37.4 | Very low | 184 Ų | 184 | 136.7 Ų | 136.7 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | | | trans | 63.8 | 108.7 | 134.8 | -59.9 | -177.7 | 11.5 | 0 | 0 | 121.3 | | |
| 213 | T | 30.8 | Very low | 39 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 85% | 0.853 | 72% | 0.721 | S | S | * | * | | | | -173.7 | 135.4 | 114.7 | 17.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 214 | P | 45.2 | Very low | 40.4 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | | | trans | -93.6 | 157.3 | 173.1 | 37.1 | -33.5 | 0 | 0 | 0 | 112.2 | | |
| 215 | Y | 38.2 | Very low | 41.3 | Very low | 210 Ų | 210 | 131.2 Ų | 131.2 | 82% | 0.824 | 70% | 0.695 | S | S | * | * | | | trans | 63.7 | 84 | 172.5 | -44.8 | -64.3 | 0 | 0 | 0 | 116.5 | | |
| 216 | T | 35.6 | Very low | 41.3 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | | | trans | -112.1 | 125.1 | 142.7 | 118.8 | 0 | 0 | 0 | 0 | 106.8 | | |
| 217 | L | 46.3 | Very low | 42.2 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 68% | 0.681 | 69% | 0.692 | S | S | * | * | | | trans | -118.9 | 95.8 | 178.9 | -69.6 | 177.9 | 0 | 0 | 0 | 108 | F219 | L217-F219 HydrophobicContact CB-CD2 4.24Å; L217-F219 HydrophobicContact CB-CE2 3.88Å; L217-F219 HydrophobicContact CD1-CE2 4.21Å; L217-F219 HydrophobicContact CD2-CE2 4.49Å; L217-F219 HydrophobicContact CG-CE2 4.42Å; L217-F219 PolarHBondContact O-N 3.27Å |
| 218 | N | 45.3 | Very low | 42.9 | Very low | 154 Ų | 154 | 127.6 Ų | 127.6 | 82% | 0.824 | 69% | 0.691 | S | S | * | * | | | trans | -98.9 | 76.6 | -176.9 | -172.6 | 31.2 | 0 | 0 | 0 | 110.3 | | |
| 219 | F | 52.6 | Low | 43.4 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 55% | 0.553 | 69% | 0.694 | S | S | * | * | | | trans | -78.7 | 140.1 | 173.8 | -65.1 | -69.4 | 0 | 0 | 0 | 111.2 | L217 E223 | L217-F219 HydrophobicContact CB-CD2 4.24Å; L217-F219 HydrophobicContact CB-CE2 3.88Å; L217-F219 HydrophobicContact CD1-CE2 4.21Å; L217-F219 HydrophobicContact CD2-CE2 4.49Å; L217-F219 HydrophobicContact CG-CE2 4.42Å; L217-F219 PolarHBondContact O-N 3.27Å; F219-E223 WeakPolarHBondContact CA-OE2 3.42Å |
| 220 | S | 46.8 | Very low | 43.5 | Very low | 72 Ų | 72 | 128 Ų | 128 | 50% | 0.503 | 70% | 0.699 | S | S | . | * | | | trans | -75.8 | 152.7 | 172.2 | -172.1 | 0 | 0 | 0 | 0 | 111.2 | E222 E223 | S220-E222 PolarHBondContact O-N 3.21Å; S220-E222 VanDerWaalsContact O-N 3.08Å; S220-E223 PolarHBondContact N-OE2 3.38Å; S220-E223 PolarHBondContact O-N 3.32Å |
| 221 | F | 39.4 | Very low | 44.4 | Very low | 120 Ų | 120 | 130 Ų | 130 | 53% | 0.526 | 70% | 0.696 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.5 | -28.5 | 177.2 | -178.6 | -91.2 | 0 | 0 | 0 | 112.9 | R246 | F221-R246 VanDerWaalsContact CZ-NH2 3.32Š|
| 222 | E | 61.1 | Low | 44.3 | Very low | 131 Ų | 131 | 130 Ų | 130 | 61% | 0.612 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -31.2 | 178.4 | -143.6 | 64.5 | -147.5 | 0 | 0 | 113 | S220 N225 | S220-E222 PolarHBondContact O-N 3.21Å; S220-E222 VanDerWaalsContact O-N 3.08Å; E222-N225 WeakPolarHBondContact O-CB 3.44Å; E222-N225 PolarHBondContact O-N 3.45Å |
| 223 | E | 59.3 | Low | 44.1 | Very low | 107 Ų | 107 | 124.7 Ų | 124.7 | 50% | 0.5 | 70% | 0.697 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.1 | -29.9 | -174.9 | -64.4 | 174.7 | 117 | 0 | 0 | 112.5 | F219 S220 N225 T226 | F219-E223 WeakPolarHBondContact CA-OE2 3.42Å; S220-E223 PolarHBondContact N-OE2 3.38Å; S220-E223 PolarHBondContact O-N 3.32Å; E223-N225 VanDerWaalsContact C-N 3.25Å; E223-N225 PolarHBondContact O-N 3Å; E223-T226 PolarHBondContact O-OG1 3.18Å |
| 224 | L | 56.3 | Low | 44.7 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 63% | 0.628 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -73.1 | -18.1 | 173 | -77.7 | 166.6 | 0 | 0 | 0 | 113 | T226 | L224-T226 VanDerWaalsContact C-N 3.28Å; L224-T226 PolarHBondContact O-N 3.34Å |
| 225 | N | 50.5 | Low | 44.7 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 57% | 0.572 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -82.9 | -3.4 | -170 | -147.6 | 29.3 | 0 | 0 | 0 | 113.2 | E222 E223 | E222-N225 WeakPolarHBondContact O-CB 3.44Å; E222-N225 PolarHBondContact O-N 3.45Å; E223-N225 VanDerWaalsContact C-N 3.25Å; E223-N225 PolarHBondContact O-N 3Å |
| 226 | T | 46.8 | Very low | 44.4 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 69% | 0.693 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -106.5 | -1.8 | -175.7 | 56.2 | 0 | 0 | 0 | 0 | 114.5 | E223 L224 G228 | E223-T226 PolarHBondContact O-OG1 3.18Å; L224-T226 VanDerWaalsContact C-N 3.28Å; L224-T226 PolarHBondContact O-N 3.34Å; T226-G228 VanDerWaalsContact C-N 3.33Å |
| 227 | L | 48.3 | Very low | 44.1 | Very low | 149 Ų | 149 | 128 Ų | 128 | 78% | 0.78 | 70% | 0.704 | S | S | * | * | | | trans | -92.1 | 13.2 | 178 | -66.9 | 172 | 0 | 0 | 0 | 113.6 | | |
| 228 | G | 44 | Very low | 43.4 | Very low | 67 Ų | 67 | 128.9 Ų | 128.9 | 69% | 0.691 | 71% | 0.71 | S | S | * | * | | | trans | -82 | 123.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T226 | T226-G228 VanDerWaalsContact C-N 3.33Š|
| 229 | L | 40.8 | Very low | 42.9 | Very low | 162 Ų | 162 | 128.5 Ų | 128.5 | 85% | 0.848 | 71% | 0.707 | S | S | * | * | | | trans | -58.6 | 138.3 | 179.8 | -71.5 | 157.3 | 0 | 0 | 0 | 113.3 | | |
| 230 | D | 37.3 | Very low | 42.6 | Very low | 169 Ų | 169 | 127.7 Ų | 127.7 | 90% | 0.904 | 72% | 0.717 | S | S | * | * | | | trans | -121.6 | 124.9 | 150.1 | -174.1 | 40.8 | 0 | 0 | 0 | 107.4 | | |
| 231 | E | 44.5 | Very low | 42 | Very low | 153 Ų | 153 | 135 Ų | 135 | 72% | 0.715 | 73% | 0.734 | S | S | * | * | | | trans | -116.9 | 133.5 | -166.9 | -173.2 | 177.7 | 120.6 | 0 | 0 | 112.5 | | |
| 232 | G | 28.3 | Very low | 42 | Very low | 87 Ų | 87 | 138.5 Ų | 138.5 | 90% | 0.897 | 75% | 0.752 | S | S | * | * | | | trans | -112.7 | 40.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 233 | A | 28.7 | Very low | 40.6 | Very low | 73 Ų | 73 | 138 Ų | 138 | 60% | 0.603 | 76% | 0.763 | S | S | * | * | | | trans | -138.3 | 133.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 234 | P | 43.3 | Very low | 39.4 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | trans | -99.8 | 143.9 | -169.6 | 37.3 | -35.5 | 0 | 0 | 0 | 115.5 | | |
| 235 | R | 44.8 | Very low | 38.3 | Very low | 226 Ų | 226 | 141.5 Ų | 141.5 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | trans | 88 | 63.2 | 159.1 | -55.8 | -159.7 | 170.3 | 111.3 | 3.3 | 120.1 | | |
| 236 | H | 32.1 | Very low | 37.9 | Very low | 202 Ų | 202 | 145.6 Ų | 145.6 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | | | | -118.7 | 157.1 | 128.4 | -64.5 | -70.7 | 0 | 0 | 0 | 109.3 | | |
| 237 | S | 30.1 | Very low | 37.5 | Very low | 99 Ų | 99 | 151.6 Ų | 151.6 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | | | trans | -125.5 | 116.4 | -149.6 | 59 | 0 | 0 | 0 | 0 | 116.2 | | |
| 238 | N | 31.3 | Very low | 36.7 | Very low | 150 Ų | 150 | 150.3 Ų | 150.3 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | | | trans | 68.7 | 148.9 | 167.9 | -40.2 | -59.5 | 0 | 0 | 0 | 114.6 | | |
| 239 | L | 35.1 | Very low | 36.4 | Very low | 146 Ų | 146 | 153.3 Ų | 153.3 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | | | cis | -120 | 164.4 | 12.3 | -62.9 | 89.5 | 0 | 0 | 0 | 113 | | |
| 240 | S | 46.8 | Very low | 35.9 | Very low | 109 Ų | 109 | 150 Ų | 150 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | | | trans | -124.7 | 101.3 | -176 | 57.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 241 | W | 34 | Very low | 36.3 | Very low | 225 Ų | 225 | 151 Ų | 151 | 85% | 0.852 | 80% | 0.802 | S | S | * | * | | | trans | -147 | 85.2 | 174.8 | -73 | 111.8 | 0 | 0 | 0 | 113.8 | | |
| 242 | Q | 37.8 | Very low | 36.2 | Very low | 194 Ų | 194 | 148.4 Ų | 148.4 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | | | trans | -175.2 | 109.1 | 138.5 | -107.2 | 165.4 | 87.2 | 0 | 0 | 111.8 | | |
| 243 | S | 32.6 | Very low | 36.9 | Very low | 120 Ų | 120 | 149.5 Ų | 149.5 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | | | trans | -169.4 | 85.5 | 166.1 | -83.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 244 | Q | 33.8 | Very low | 37.5 | Very low | 180 Ų | 180 | 154.7 Ų | 154.7 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | | | trans | -158 | 90.5 | 164.3 | -162.6 | 74.6 | -8.2 | 0 | 0 | 112.6 | | |
| 245 | T | 33.6 | Very low | 38 | Very low | 121 Ų | 121 | 154.6 Ų | 154.6 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | | | trans | 29.9 | 105.4 | 147.3 | -48.1 | 0 | 0 | 0 | 0 | 121.2 | | |
| 246 | R | 42.8 | Very low | 38.3 | Very low | 193 Ų | 193 | 147.4 Ų | 147.4 | 73% | 0.728 | 79% | 0.789 | S | S | * | * | | | trans | 33.2 | 98.1 | 140.8 | -56.8 | -176.1 | -172.1 | -99.3 | 6 | 119.5 | F221 | F221-R246 VanDerWaalsContact CZ-NH2 3.32Š|
| 247 | R | 37.4 | Very low | 39.2 | Very low | 239 Ų | 239 | 145 Ų | 145 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | | | | -151.3 | 148.8 | 125.8 | -78.9 | -153 | 176.8 | -172.2 | -0.6 | 110.4 | | |
| 248 | T | 31.4 | Very low | 40.3 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | | | trans | 20.9 | 114.6 | 162.7 | 50.4 | 0 | 0 | 0 | 0 | 119 | S250 | T248-S250 PolarHBondContact O-N 2.77Š|
| 249 | P | 37 | Very low | 41.5 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 84% | 0.844 | 75% | 0.752 | S | S | * | * | | | trans | -74.7 | 117.2 | 175.5 | 30.9 | -33.1 | 0 | 0 | 0 | 112 | | |
| 250 | S | 32.2 | Very low | 42.8 | Very low | 94 Ų | 94 | 136 Ų | 136 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | | | trans | -91.8 | 135.4 | 166.1 | -62.5 | 0 | 0 | 0 | 0 | 110.1 | T248 S252 | T248-S250 PolarHBondContact O-N 2.77Å; S250-S252 PolarHBondContact O-N 3.43Å |
| 251 | L | 43.9 | Very low | 43.8 | Very low | 189 Ų | 189 | 134.9 Ų | 134.9 | 99% | 0.99 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -79.2 | 45.4 | -173 | -64.1 | 174 | 0 | 0 | 0 | 113.9 | | |
| 252 | S | 42.2 | Very low | 45.8 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 69% | 0.685 | 70% | 0.702 | S | S | * | * | | | trans | -134.7 | 17.8 | -169.5 | 52.7 | 0 | 0 | 0 | 0 | 115.5 | S250 | S250-S252 PolarHBondContact O-N 3.43Š|
| 253 | S | 43.4 | Very low | 47.6 | Very low | 110 Ų | 110 | 122.5 Ų | 122.5 | 77% | 0.769 | 67% | 0.668 | S | S | * | * | | | trans | -131.6 | 48.7 | -179.4 | -63.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 254 | L | 41.8 | Very low | 49.7 | Very low | 183 Ų | 183 | 120.6 Ų | 120.6 | 96% | 0.958 | 65% | 0.654 | S | S | * | * | | | trans | -105.6 | 49 | 160.1 | -72.7 | 179.3 | 0 | 0 | 0 | 111.1 | | |
| 255 | N | 53.5 | Low | 52.2 | Low | 117 Ų | 117 | 119.3 Ų | 119.3 | 63% | 0.626 | 65% | 0.646 | S | S | * | * | | | trans | -118.1 | 89.7 | 164.6 | -175.4 | 16.9 | 0 | 0 | 0 | 108.5 | Q257 | N255-Q257 PolarHBondContact O-N 3.46Š|
| 256 | S | 51.7 | Low | 54.8 | Low | 75 Ų | 75 | 117.3 Ų | 117.3 | 52% | 0.524 | 63% | 0.63 | S | S | . | * | | | trans | -57.8 | 112.3 | 172 | -61.1 | 0 | 0 | 0 | 0 | 108.7 | D258 S259 S260 | S256-D258 PolarHBondContact O-N 3.08Å; S256-D258 VanDerWaalsContact O-N 3.16Å; S256-S259 WeakPolarHBondContact CB-OG 3.38Å; S256-S259 WeakPolarHBondContact O-CA 3.33Å; S256-S259 WeakPolarHBondContact O-CB 3.34Å; S256-S259 PolarHBondContact O-N 3.45Å; S256-S260 PolarHBondContact O-N 3.42Å; S256-S260 VanDerWaalsContact O-N 3.13Å |
| 257 | Q | 51.4 | Low | 57.1 | Low | 153 Ų | 153 | 112.7 Ų | 112.7 | 72% | 0.715 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.7 | -29.7 | -169.7 | -161.2 | 164.8 | -12 | 0 | 0 | 111.7 | N255 S260 I261 | N255-Q257 PolarHBondContact O-N 3.46Å; Q257-S260 WeakPolarHBondContact O-CB 3.48Å; Q257-S260 PolarHBondContact O-N 3.16Å; Q257-I261 WeakPolarHBondContact O-CD1 3.2Å; Q257-I261 WeakPolarHBondContact O-CG1 3.47Å; Q257-I261 PolarHBondContact O-N 2.9Å; Q257-I261 VanDerWaalsContact O-N 3.16Å |
| 258 | D | 53.1 | Low | 59.7 | Low | 107 Ų | 107 | 107.7 Ų | 107.7 | 57% | 0.572 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.7 | -40.1 | 171 | -54.2 | -85.3 | 0 | 0 | 0 | 113.2 | S256 S260 I261 E262 | S256-D258 PolarHBondContact O-N 3.08Å; S256-D258 VanDerWaalsContact O-N 3.16Å; D258-S260 VanDerWaalsContact C-N 3.32Å; D258-S260 PolarHBondContact O-N 3.07Å; D258-I261 CarbonylContact O-C 3.52Å; D258-I261 WeakPolarHBondContact O-CA 3.42Å; D258-I261 WeakPolarHBondContact O-CB 3.4Å; D258-I261 PolarHBondContact O-N 3.44Å; D258-E262 PolarHBondContact O-N 3.16Å |
| 259 | S | 56.8 | Low | 62.7 | Low | 52 Ų | 52 | 109.5 Ų | 109.5 | 36% | 0.364 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.8 | -37.2 | 174.7 | -55 | 0 | 0 | 0 | 0 | 111.6 | S256 I261 E262 I263 | S256-S259 WeakPolarHBondContact CB-OG 3.38Å; S256-S259 WeakPolarHBondContact O-CA 3.33Å; S256-S259 WeakPolarHBondContact O-CB 3.34Å; S256-S259 PolarHBondContact O-N 3.45Å; S259-I261 VanDerWaalsContact C-N 3.29Å; S259-I261 PolarHBondContact O-N 3.07Å; S259-E262 PolarHBondContact O-N 3.45Å; S259-I263 WeakPolarHBondContact O-CB 3.46Å; S259-I263 WeakPolarHBondContact O-CD1 3.31Å; S259-I263 WeakPolarHBondContact O-CG1 3.4Å; S259-I263 PolarHBondContact O-N 2.92Å |
| 260 | S | 60.7 | Low | 65.5 | Low | 46 Ų | 46 | 106 Ų | 106 | 32% | 0.322 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -59.9 | -39.8 | 170.4 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | S256 Q257 D258 S264 | S256-S260 PolarHBondContact O-N 3.42Å; S256-S260 VanDerWaalsContact O-N 3.13Å; Q257-S260 WeakPolarHBondContact O-CB 3.48Å; Q257-S260 PolarHBondContact O-N 3.16Å; D258-S260 VanDerWaalsContact C-N 3.32Å; D258-S260 PolarHBondContact O-N 3.07Å; S260-S264 VanDerWaalsContact O-CB 3.29Å; S260-S264 WeakPolarHBondContact O-CB 3.45Å; S260-S264 PolarHBondContact O-N 3.25Å; S260-S264 PolarHBondContact O-OG 2.97Å |
| 261 | I | 68.8 | Low | 68.4 | Low | 86 Ų | 86 | 102.6 Ų | 102.6 | 44% | 0.441 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.9 | -33 | 176.6 | -69.9 | 163 | 0 | 0 | 0 | 112 | Q257 D258 S259 K265 | Q257-I261 WeakPolarHBondContact O-CD1 3.2Å; Q257-I261 WeakPolarHBondContact O-CG1 3.47Å; Q257-I261 PolarHBondContact O-N 2.9Å; Q257-I261 VanDerWaalsContact O-N 3.16Å; D258-I261 CarbonylContact O-C 3.52Å; D258-I261 WeakPolarHBondContact O-CA 3.42Å; D258-I261 WeakPolarHBondContact O-CB 3.4Å; D258-I261 PolarHBondContact O-N 3.44Å; S259-I261 VanDerWaalsContact C-N 3.29Å; S259-I261 PolarHBondContact O-N 3.07Å; I261-K265 WeakPolarHBondContact O-CD 3.42Å; I261-K265 WeakPolarHBondContact O-CE 3.23Å; I261-K265 VanDerWaalsContact O-CG 3.31Å; I261-K265 WeakPolarHBondContact O-CG 3.49Å |
| 262 | E | 74.9 | Confident | 70.7 | Confident | 124 Ų | 124 | 95.7 Ų | 95.7 | 58% | 0.579 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -77.3 | -44.1 | 174.8 | -67.3 | -165.4 | 146 | 0 | 0 | 113 | D258 S259 S264 K265 L266 | D258-E262 PolarHBondContact O-N 3.16Å; S259-E262 PolarHBondContact O-N 3.45Å; E262-S264 PolarHBondContact O-N 3.45Å; E262-K265 WeakPolarHBondContact O-CB 3.29Å; E262-K265 PolarHBondContact O-N 2.86Å; E262-L266 PolarHBondContact O-N 3.13Å |
| 263 | I | 76.6 | Confident | 73.2 | Confident | 35 Ų | 35 | 96.6 Ų | 96.6 | 18% | 0.179 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -54.4 | -42.4 | 172 | -67.6 | 161.6 | 0 | 0 | 0 | 110 | S259 K265 L266 Q271 Y274 | S259-I263 WeakPolarHBondContact O-CB 3.46Å; S259-I263 WeakPolarHBondContact O-CD1 3.31Å; S259-I263 WeakPolarHBondContact O-CG1 3.4Å; S259-I263 PolarHBondContact O-N 2.92Å; I263-K265 PolarHBondContact O-N 3.28Å; I263-L266 PolarHBondContact O-N 3.22Å; I263-Q271 HydrophobicContact CG2-CG 4.27Å; I263-Q271 VanDerWaalsContact O-CG 3.23Å; I263-Q271 WeakPolarHBondContact O-CG 3.39Å; I263-Q271 PolarHBondContact O-NE2 3Å; I263-Y274 HydrophobicContact CD1-CD1 4.07Å; I263-Y274 HydrophobicContact CD1-CE1 3.45Å; I263-Y274 VanDerWaalsContact CD1-CE1 3.45Å; I263-Y274 HydrophobicContact CG1-CD1 4.29Å; I263-Y274 HydrophobicContact CG1-CE1 4.06Å |
| 264 | S | 77.5 | Confident | 75.7 | Confident | 80 Ų | 80 | 96.9 Ų | 96.9 | 56% | 0.559 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -10.3 | 178.6 | -56.9 | 0 | 0 | 0 | 0 | 115 | S260 E262 | S260-S264 VanDerWaalsContact O-CB 3.29Å; S260-S264 WeakPolarHBondContact O-CB 3.45Å; S260-S264 PolarHBondContact O-N 3.25Å; S260-S264 PolarHBondContact O-OG 2.97Å; E262-S264 PolarHBondContact O-N 3.45Å |
| 265 | K | 84.6 | Confident | 78.1 | Confident | 152 Ų | 152 | 94.5 Ų | 94.5 | 66% | 0.661 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -16.9 | 173.5 | -66.6 | 162.5 | -164.7 | 163.4 | 0 | 113 | I261 E262 I263 | I261-K265 WeakPolarHBondContact O-CD 3.42Å; I261-K265 WeakPolarHBondContact O-CE 3.23Å; I261-K265 VanDerWaalsContact O-CG 3.31Å; I261-K265 WeakPolarHBondContact O-CG 3.49Å; E262-K265 WeakPolarHBondContact O-CB 3.29Å; E262-K265 PolarHBondContact O-N 2.86Å; I263-K265 PolarHBondContact O-N 3.28Å |
| 266 | L | 88.2 | Confident | 80.1 | Confident | 80 Ų | 80 | 92.8 Ų | 92.8 | 42% | 0.419 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -74 | 151 | 176.1 | -76.1 | 147.6 | 0 | 0 | 0 | 110.2 | E262 I263 V270 Q271 | E262-L266 PolarHBondContact O-N 3.13Å; I263-L266 PolarHBondContact O-N 3.22Å; L266-V270 HydrophobicContact CB-CB 4.44Å; L266-V270 HydrophobicContact CD2-CB 4.26Å; L266-V270 HydrophobicContact CD2-CG1 3.88Å; L266-Q271 HydrophobicContact CB-CG 4.19Å; L266-Q271 PolarHBondContact O-NE2 3.31Å |
| 267 | T | 91.8 | Very high | 82.2 | Confident | 96 Ų | 96 | 92 Ų | 92 | 59% | 0.589 | 48% | 0.477 | S | S | * | . | | | trans | -65.2 | 151.1 | 177.3 | 57.9 | 0 | 0 | 0 | 0 | 111 | K269 V270 Q271 | T267-K269 PolarHBondContact O-N 3.43Å; T267-V270 PolarHBondContact O-N 3.02Å; T267-Q271 PolarHBondContact O-N 2.9Å |
| 268 | D | 92.4 | Very high | 84.3 | Confident | 133 Ų | 133 | 90.9 Ų | 90.9 | 71% | 0.711 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -51.1 | -36.7 | -174.9 | -58.8 | -33.1 | 0 | 0 | 0 | 113.6 | Q271 A272 | D268-Q271 PolarHBondContact O-N 2.7Å; D268-A272 WeakPolarHBondContact O-CB 3.25Å; D268-A272 PolarHBondContact O-N 2.89Å |
| 269 | K | 94.4 | Very high | 86.4 | Confident | 160 Ų | 160 | 92.2 Ų | 92.2 | 70% | 0.696 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -58.7 | -48.3 | 174.9 | -174.2 | -170.1 | 171.9 | -166.1 | 0 | 111.7 | T267 A272 E273 | T267-K269 PolarHBondContact O-N 3.43Å; K269-A272 PolarHBondContact O-N 3.19Å; K269-E273 WeakPolarHBondContact O-CB 3.28Å; K269-E273 PolarHBondContact O-N 3.35Å |
| 270 | V | 95.3 | Very high | 88.1 | Confident | 56 Ų | 56 | 95.2 Ų | 95.2 | 34% | 0.339 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -78.4 | -28.4 | -177.4 | -171.1 | 0 | 0 | 0 | 0 | 111.1 | L266 T267 A272 E273 Y274 | L266-V270 HydrophobicContact CB-CB 4.44Å; L266-V270 HydrophobicContact CD2-CB 4.26Å; L266-V270 HydrophobicContact CD2-CG1 3.88Å; T267-V270 PolarHBondContact O-N 3.02Å; V270-A272 VanDerWaalsContact C-N 3.34Å; V270-E273 PolarHBondContact O-N 3.34Å; V270-Y274 VanDerWaalsContact O-CB 3.28Å; V270-Y274 WeakPolarHBondContact O-CB 3.33Å; V270-Y274 PolarHBondContact O-N 2.85Å |
| 271 | Q | 93.5 | Very high | 89.8 | Confident | 23 Ų | 23 | 99.3 Ų | 99.3 | 11% | 0.107 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 166.8 | -70 | -170.2 | 34.8 | 0 | 0 | 112.2 | I263 L266 T267 D268 R275 | I263-Q271 HydrophobicContact CG2-CG 4.27Å; I263-Q271 VanDerWaalsContact O-CG 3.23Å; I263-Q271 WeakPolarHBondContact O-CG 3.39Å; I263-Q271 PolarHBondContact O-NE2 3Å; L266-Q271 HydrophobicContact CB-CG 4.19Å; L266-Q271 PolarHBondContact O-NE2 3.31Å; T267-Q271 PolarHBondContact O-N 2.9Å; D268-Q271 PolarHBondContact O-N 2.7Å; Q271-R275 WeakPolarHBondContact O-CB 3.22Å; Q271-R275 WeakPolarHBondContact O-CG 3.41Å; Q271-R275 PolarHBondContact O-N 3.09Å |
| 272 | A | 92.7 | Very high | 91 | Very high | 44 Ų | 44 | 99.3 Ų | 99.3 | 36% | 0.364 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.6 | -49.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | D268 K269 V270 Y274 R275 D276 | D268-A272 WeakPolarHBondContact O-CB 3.25Å; D268-A272 PolarHBondContact O-N 2.89Å; K269-A272 PolarHBondContact O-N 3.19Å; V270-A272 VanDerWaalsContact C-N 3.34Å; A272-Y274 VanDerWaalsContact C-N 3.32Å; A272-Y274 PolarHBondContact O-N 3.03Å; A272-R275 CarbonylContact O-C 3.57Å; A272-R275 PolarHBondContact O-N 2.95Å; A272-R275 VanDerWaalsContact O-N 3.09Å; A272-D276 WeakPolarHBondContact O-CB 3.41Å; A272-D276 PolarHBondContact O-N 2.91Å; A272-D276 VanDerWaalsContact O-OD1 3.06Å |
| 273 | E | 94.8 | Very high | 91.9 | Very high | 116 Ų | 116 | 95.9 Ų | 95.9 | 54% | 0.542 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -56.2 | -42.8 | 177.6 | -165.8 | 168.3 | 171.1 | 0 | 0 | 112.4 | K269 V270 D276 A277 | K269-E273 WeakPolarHBondContact O-CB 3.28Å; K269-E273 PolarHBondContact O-N 3.35Å; V270-E273 PolarHBondContact O-N 3.34Å; E273-D276 PolarHBondContact O-N 2.93Å; E273-A277 WeakPolarHBondContact O-CB 3.42Å; E273-A277 PolarHBondContact O-N 3.44Å |
| 274 | Y | 94.4 | Very high | 92.6 | Very high | 116 Ų | 116 | 99.2 Ų | 99.2 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 173.2 | -178.8 | -89.6 | 0 | 0 | 0 | 112.7 | I263 V270 A272 D276 Y278 | I263-Y274 HydrophobicContact CD1-CD1 4.07Å; I263-Y274 HydrophobicContact CD1-CE1 3.45Å; I263-Y274 VanDerWaalsContact CD1-CE1 3.45Å; I263-Y274 HydrophobicContact CG1-CD1 4.29Å; I263-Y274 HydrophobicContact CG1-CE1 4.06Å; V270-Y274 VanDerWaalsContact O-CB 3.28Å; V270-Y274 WeakPolarHBondContact O-CB 3.33Å; V270-Y274 PolarHBondContact O-N 2.85Å; A272-Y274 VanDerWaalsContact C-N 3.32Å; A272-Y274 PolarHBondContact O-N 3.03Å; Y274-D276 PolarHBondContact O-N 3.02Å; Y274-Y278 VanDerWaalsContact O-CB 3.25Å; Y274-Y278 WeakPolarHBondContact O-CB 3.49Å; Y274-Y278 PolarHBondContact O-N 3.35Å |
| 275 | R | 93.1 | Very high | 92.9 | Very high | 133 Ų | 133 | 99.5 Ų | 99.5 | 50% | 0.502 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.8 | -31.8 | 175.9 | -74.9 | 171.3 | -173.4 | 137.9 | 12.9 | 112 | Q271 A272 R279 | Q271-R275 WeakPolarHBondContact O-CB 3.22Å; Q271-R275 WeakPolarHBondContact O-CG 3.41Å; Q271-R275 PolarHBondContact O-N 3.09Å; A272-R275 CarbonylContact O-C 3.57Å; A272-R275 PolarHBondContact O-N 2.95Å; A272-R275 VanDerWaalsContact O-N 3.09Å; R275-R279 WeakPolarHBondContact O-CG 3.38Å; R275-R279 PolarHBondContact O-N 2.98Å; R275-R279 PolarHBondContact O-NH1 2.87Å |
| 276 | D | 95.9 | Very high | 92.9 | Very high | 82 Ų | 82 | 96.1 Ų | 96.1 | 44% | 0.439 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -78 | -48.8 | -178.9 | -79.3 | 38.3 | 0 | 0 | 0 | 110.8 | A272 E273 Y274 Y278 R279 E280 | A272-D276 WeakPolarHBondContact O-CB 3.41Å; A272-D276 PolarHBondContact O-N 2.91Å; A272-D276 VanDerWaalsContact O-OD1 3.06Å; E273-D276 PolarHBondContact O-N 2.93Å; Y274-D276 PolarHBondContact O-N 3.02Å; D276-Y278 VanDerWaalsContact C-N 3.27Å; D276-Y278 PolarHBondContact O-N 3.25Å; D276-R279 PolarHBondContact O-N 3.24Å; D276-R279 VanDerWaalsContact O-N 3.13Å; D276-R279 IonicContact OD1-CZ 3.64Å; D276-R279 IonicContact OD1-NH1 2.92Å; D276-R279 PolarHBondContact OD1-NH1 3.33Å; D276-R279 IonicContact OD1-NH2 2.93Å; D276-R279 PolarHBondContact OD1-NH2 3.36Å; D276-R279 IonicContact OD2-CZ 2.67Å; D276-R279 IonicContact OD2-NH2 3.72Å; D276-R279 PolarHBondContact OD2-NH2 3.15Å; D276-E280 PolarHBondContact O-N 3.32Å |
| 277 | A | 95.6 | Very high | 92.2 | Very high | 57 Ų | 57 | 99.6 Ų | 99.6 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.8 | -36.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E273 E280 Y281 | E273-A277 WeakPolarHBondContact O-CB 3.42Å; E273-A277 PolarHBondContact O-N 3.44Å; A277-E280 PolarHBondContact O-N 3.47Å; A277-Y281 WeakPolarHBondContact O-CB 3.44Å; A277-Y281 PolarHBondContact O-N 3.46Å |
| 278 | Y | 95.5 | Very high | 91.1 | Very high | 130 Ų | 130 | 101.3 Ų | 101.3 | 51% | 0.51 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.8 | -38.7 | 175.4 | -174.7 | -107 | 0 | 0 | 0 | 112.8 | Y274 D276 I282 | Y274-Y278 VanDerWaalsContact O-CB 3.25Å; Y274-Y278 WeakPolarHBondContact O-CB 3.49Å; Y274-Y278 PolarHBondContact O-N 3.35Å; D276-Y278 VanDerWaalsContact C-N 3.27Å; D276-Y278 PolarHBondContact O-N 3.25Å; Y278-I282 HydrophobicContact CD1-CD1 3.96Å; Y278-I282 HydrophobicContact CE1-CD1 3.51Å; Y278-I282 WeakPolarHBondContact O-CG1 3.44Å; Y278-I282 PolarHBondContact O-N 3.01Å; Y278-I282 VanDerWaalsContact O-N 3.15Å |
| 279 | R | 96 | Very high | 89.6 | Confident | 135 Ų | 135 | 103.7 Ų | 103.7 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 171.9 | -72.6 | -169.5 | -42 | -81 | 11 | 111.7 | R275 D276 I282 A283 | R275-R279 WeakPolarHBondContact O-CG 3.38Å; R275-R279 PolarHBondContact O-N 2.98Å; R275-R279 PolarHBondContact O-NH1 2.87Å; D276-R279 PolarHBondContact O-N 3.24Å; D276-R279 VanDerWaalsContact O-N 3.13Å; D276-R279 IonicContact OD1-CZ 3.64Å; D276-R279 IonicContact OD1-NH1 2.92Å; D276-R279 PolarHBondContact OD1-NH1 3.33Å; D276-R279 IonicContact OD1-NH2 2.93Å; D276-R279 PolarHBondContact OD1-NH2 3.36Å; D276-R279 IonicContact OD2-CZ 2.67Å; D276-R279 IonicContact OD2-NH2 3.72Å; D276-R279 PolarHBondContact OD2-NH2 3.15Å; R279-I282 PolarHBondContact O-N 2.8Å; R279-A283 PolarHBondContact O-N 2.93Å |
| 280 | E | 94.4 | Very high | 88 | Confident | 115 Ų | 115 | 98.8 Ų | 98.8 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.9 | -46.1 | 176.2 | -163.4 | -171.4 | 155 | 0 | 0 | 111.4 | D276 A277 I282 A283 Q284 | D276-E280 PolarHBondContact O-N 3.32Å; A277-E280 PolarHBondContact O-N 3.47Å; E280-I282 VanDerWaalsContact C-N 3.32Å; E280-I282 PolarHBondContact O-N 3.37Å; E280-A283 CarbonylContact O-C 3.59Å; E280-A283 WeakPolarHBondContact O-CA 3.46Å; E280-A283 WeakPolarHBondContact O-CB 3.45Å; E280-A283 PolarHBondContact O-N 3.33Å; E280-Q284 HydrophobicContact CG-CG 4.39Å; E280-Q284 WeakPolarHBondContact O-CG 3.41Å; E280-Q284 PolarHBondContact O-N 2.9Å; E280-Q284 PolarHBondContact OE1-NE2 3.16Å |
| 281 | Y | 95.1 | Very high | 85.5 | Confident | 132 Ų | 132 | 99 Ų | 99 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -55.2 | -45.7 | 175.5 | 173.5 | -104.4 | 0 | 0 | 0 | 112 | A277 A283 Q284 M285 | A277-Y281 WeakPolarHBondContact O-CB 3.44Å; A277-Y281 PolarHBondContact O-N 3.46Å; Y281-A283 VanDerWaalsContact C-N 3.33Å; Y281-A283 PolarHBondContact O-N 2.86Å; Y281-Q284 PolarHBondContact O-N 3.44Å; Y281-M285 HydrophobicContact CD1-CG 4.46Å; Y281-M285 HydrophobicContact CD2-CG 4.05Å; Y281-M285 HydrophobicContact CE1-CG 4.05Å; Y281-M285 HydrophobicContact CE2-CG 3.58Å; Y281-M285 HydrophobicContact CE2-SD 3.93Å; Y281-M285 HydrophobicContact CG-CG 4.47Å; Y281-M285 WeakPolarHBondContact O-CB 3.34Å; Y281-M285 WeakPolarHBondContact O-CG 3.15Å; Y281-M285 PolarHBondContact O-N 2.8Å |
| 282 | I | 94.5 | Very high | 83.3 | Confident | 87 Ų | 87 | 105.3 Ų | 105.3 | 45% | 0.446 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.7 | -42.5 | 174.5 | -69.5 | 169.4 | 0 | 0 | 0 | 111.1 | Y278 R279 E280 S286 | Y278-I282 HydrophobicContact CD1-CD1 3.96Å; Y278-I282 HydrophobicContact CE1-CD1 3.51Å; Y278-I282 WeakPolarHBondContact O-CG1 3.44Å; Y278-I282 PolarHBondContact O-N 3.01Å; Y278-I282 VanDerWaalsContact O-N 3.15Å; R279-I282 PolarHBondContact O-N 2.8Å; E280-I282 VanDerWaalsContact C-N 3.32Å; E280-I282 PolarHBondContact O-N 3.37Å; I282-S286 WeakPolarHBondContact O-CB 3.43Å; I282-S286 PolarHBondContact O-N 2.91Å |
| 283 | A | 93.4 | Very high | 81.1 | Confident | 51 Ų | 51 | 106.8 Ų | 106.8 | 42% | 0.421 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.5 | -32 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R279 E280 Y281 Q287 | R279-A283 PolarHBondContact O-N 2.93Å; E280-A283 CarbonylContact O-C 3.59Å; E280-A283 WeakPolarHBondContact O-CA 3.46Å; E280-A283 WeakPolarHBondContact O-CB 3.45Å; E280-A283 PolarHBondContact O-N 3.33Å; Y281-A283 VanDerWaalsContact C-N 3.33Å; Y281-A283 PolarHBondContact O-N 2.86Å; A283-Q287 PolarHBondContact O-NE2 3.29Å |
| 284 | Q | 92.3 | Very high | 78.3 | Confident | 105 Ų | 105 | 106 Ų | 106 | 49% | 0.491 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.6 | -49.3 | 173.1 | -69.3 | -179.5 | 13.1 | 0 | 0 | 110.9 | E280 Y281 S286 Q287 L288 | E280-Q284 HydrophobicContact CG-CG 4.39Å; E280-Q284 WeakPolarHBondContact O-CG 3.41Å; E280-Q284 PolarHBondContact O-N 2.9Å; E280-Q284 PolarHBondContact OE1-NE2 3.16Å; Y281-Q284 PolarHBondContact O-N 3.44Å; Q284-S286 VanDerWaalsContact C-N 3.35Å; Q284-S286 PolarHBondContact O-N 2.7Å; Q284-Q287 PolarHBondContact O-N 3.45Å; Q284-Q287 VanDerWaalsContact O-N 3.16Å; Q284-L288 PolarHBondContact O-N 3.2Å |
| 285 | M | 83.1 | Confident | 75.8 | Confident | 86 Ų | 86 | 106.6 Ų | 106.6 | 42% | 0.424 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.4 | -37.5 | 179.5 | -66.5 | -58.2 | -65.6 | 0 | 0 | 112.6 | Y281 Q287 L288 E289 | Y281-M285 HydrophobicContact CD1-CG 4.46Å; Y281-M285 HydrophobicContact CD2-CG 4.05Å; Y281-M285 HydrophobicContact CE1-CG 4.05Å; Y281-M285 HydrophobicContact CE2-CG 3.58Å; Y281-M285 HydrophobicContact CE2-SD 3.93Å; Y281-M285 HydrophobicContact CG-CG 4.47Å; Y281-M285 WeakPolarHBondContact O-CB 3.34Å; Y281-M285 WeakPolarHBondContact O-CG 3.15Å; Y281-M285 PolarHBondContact O-N 2.8Å; M285-Q287 PolarHBondContact O-N 2.96Å; M285-L288 PolarHBondContact O-N 2.7Å; M285-E289 PolarHBondContact O-N 2.89Å |
| 286 | S | 84.1 | Confident | 73.3 | Confident | 82 Ų | 82 | 105.7 Ų | 105.7 | 57% | 0.573 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -58.5 | -30 | 174.5 | 179.4 | 0 | 0 | 0 | 0 | 113.4 | I282 Q284 | I282-S286 WeakPolarHBondContact O-CB 3.43Å; I282-S286 PolarHBondContact O-N 2.91Å; Q284-S286 VanDerWaalsContact C-N 3.35Å; Q284-S286 PolarHBondContact O-N 2.7Å |
| 287 | Q | 74.1 | Confident | 70.7 | Confident | 152 Ų | 152 | 109.6 Ų | 109.6 | 71% | 0.71 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -80 | -20.9 | 174.9 | -71.6 | 170 | 91.5 | 0 | 0 | 113.2 | A283 Q284 M285 | A283-Q287 PolarHBondContact O-NE2 3.29Å; Q284-Q287 PolarHBondContact O-N 3.45Å; Q284-Q287 VanDerWaalsContact O-N 3.16Å; M285-Q287 PolarHBondContact O-N 2.96Å |
| 288 | L | 68.9 | Low | 67.9 | Low | 133 Ų | 133 | 112.8 Ų | 112.8 | 70% | 0.696 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -84.3 | -31 | -179.2 | -170.5 | 61.4 | 0 | 0 | 0 | 112.6 | Q284 M285 G290 | Q284-L288 PolarHBondContact O-N 3.2Å; M285-L288 PolarHBondContact O-N 2.7Å; L288-G290 VanDerWaalsContact C-N 3.33Å |
| 289 | E | 61.6 | Low | 64.9 | Low | 183 Ų | 183 | 110.3 Ų | 110.3 | 86% | 0.855 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75 | -24.3 | 172.4 | -163.3 | 167 | -164.6 | 0 | 0 | 112 | M285 G291 | M285-E289 PolarHBondContact O-N 2.89Å; E289-G291 VanDerWaalsContact C-N 3.26Å; E289-G291 PolarHBondContact O-N 3.13Å |
| 290 | G | 59.4 | Low | 62.2 | Low | 57 Ų | 57 | 115.6 Ų | 115.6 | 59% | 0.588 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -75.3 | 64.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L288 | L288-G290 VanDerWaalsContact C-N 3.33Š|
| 291 | G | 43.1 | Very low | 59.5 | Low | 61 Ų | 61 | 116 Ų | 116 | 63% | 0.629 | 70% | 0.698 | S | S | * | * | | | trans | -50.7 | 145.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | E289 G293 | E289-G291 VanDerWaalsContact C-N 3.26Å; E289-G291 PolarHBondContact O-N 3.13Å; G291-G293 PolarHBondContact O-N 2.92Å |
| 292 | T | 47.1 | Very low | 56.7 | Low | 154 Ų | 154 | 114.4 Ų | 114.4 | 95% | 0.945 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -53.6 | 107 | -174.3 | 51.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 293 | G | 46.8 | Very low | 54.3 | Low | 75 Ų | 75 | 115.8 Ų | 115.8 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | | | trans | -152.6 | 5.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | G291 | G291-G293 PolarHBondContact O-N 2.92Š|
| 294 | S | 36.6 | Very low | 51.1 | Low | 99 Ų | 99 | 121.3 Ų | 121.3 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | | | trans | -159.1 | 126.9 | 167.1 | -171.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 295 | S | 40.4 | Very low | 48.1 | Very low | 129 Ų | 129 | 121.3 Ų | 121.3 | 90% | 0.902 | 75% | 0.75 | S | S | * | * | | | trans | -135.7 | 53.7 | 169.4 | -73.8 | 0 | 0 | 0 | 0 | 111 | | |
| 296 | T | 40.7 | Very low | 45.6 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | trans | -137.8 | 127.1 | 169.5 | 51.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 297 | I | 42.8 | Very low | 43.1 | Very low | 164 Ų | 164 | 129 Ų | 129 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | | | trans | 74.2 | 98.1 | 153.9 | -131.7 | 162.8 | 0 | 0 | 0 | 119.6 | | |
| 298 | S | 36.8 | Very low | 41.1 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | | 22.9 | 126 | 128.6 | -160.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 299 | G | 31.1 | Very low | 39.4 | Very low | 79 Ų | 79 | 133.2 Ų | 133.2 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | | | trans | -174.2 | 85.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 300 | R | 39.6 | Very low | 38 | Very low | 246 Ų | 246 | 127.5 Ų | 127.5 | 93% | 0.928 | 78% | 0.777 | S | S | * | * | | | trans | -109.5 | 81.9 | -178.8 | -171.9 | -169.5 | -176.9 | -99.8 | 5.3 | 113.5 | | |
| 301 | S | 38 | Very low | 36.6 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | -168.2 | 150.6 | 157.3 | 41.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 302 | S | 36.7 | Very low | 36.2 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | | | trans | -94.4 | 175.8 | 171.1 | -170.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 303 | P | 43.9 | Very low | 35.4 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | | | | -162 | 116.4 | 94.3 | 38 | -15.1 | 0 | 0 | 0 | 119.4 | | |
| 304 | H | 26.2 | Very low | 34.8 | Very low | 167 Ų | 167 | 136 Ų | 136 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | -167 | 152.4 | 139.5 | -116.8 | 64.5 | 0 | 0 | 0 | 109.6 | | |
| 305 | S | 28.5 | Very low | 34.5 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | cis | -128.7 | -176.7 | 11.6 | -168.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 306 | T | 32.4 | Very low | 33.9 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 60% | 0.601 | 79% | 0.79 | S | S | * | * | | | trans | -107.1 | 133.7 | -153.4 | -62.5 | 0 | 0 | 0 | 0 | 116 | | |
| 307 | Y | 31 | Very low | 33.5 | Very low | 232 Ų | 232 | 132.8 Ų | 132.8 | 91% | 0.91 | 80% | 0.798 | S | S | * | * | | | trans | -129.1 | 124.6 | 150.9 | -47 | -68.2 | 0 | 0 | 0 | 111 | | |
| 308 | Y | 31.7 | Very low | 33.1 | Very low | 209 Ų | 209 | 131.3 Ų | 131.3 | 82% | 0.82 | 79% | 0.79 | S | S | * | * | | | trans | -23.5 | 141.1 | 178.4 | -79.2 | -99.6 | 0 | 0 | 0 | 121.9 | | |
| 309 | I | 33.6 | Very low | 32.8 | Very low | 164 Ų | 164 | 133 Ų | 133 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | | | trans | 70.6 | 128.8 | 149 | -61.5 | 159.6 | 0 | 0 | 0 | 116.8 | | |
| 310 | G | 31.1 | Very low | 32.8 | Very low | 64 Ų | 64 | 134.1 Ų | 134.1 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | | | cis | 164.5 | 165.7 | -8.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 311 | Q | 31.1 | Very low | 32.1 | Very low | 186 Ų | 186 | 130.3 Ų | 130.3 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | | | trans | 62.5 | 117.2 | 165.2 | -63.1 | -171.8 | -5.2 | 0 | 0 | 120.2 | | |
| 312 | S | 34.8 | Very low | 31.7 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | 75.8 | 162.5 | 140.3 | -58.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 313 | S | 28.9 | Very low | 31.5 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | cis | -172.3 | 153.1 | -40.9 | -164.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 314 | S | 34.7 | Very low | 30.9 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | 62.6 | 155.5 | 173.5 | 74.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 315 | G | 30 | Very low | 31.1 | Very low | 73 Ų | 73 | 136.6 Ų | 136.6 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | cis | 152.2 | 124.6 | -15.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 316 | G | 29.1 | Very low | 31.4 | Very low | 77 Ų | 77 | 142.9 Ų | 142.9 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | 80.7 | 126.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 317 | S | 32 | Very low | 31.3 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | | -149.4 | 158.7 | 109.6 | -163 | 0 | 0 | 0 | 0 | 109.2 | | |
| 318 | I | 33.9 | Very low | 31.6 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 68% | 0.677 | 79% | 0.785 | S | S | * | * | | | trans | -144.3 | 177.3 | -167.4 | -27.9 | 175.1 | 0 | 0 | 0 | 109.8 | | |
| 319 | H | 30.5 | Very low | 31.4 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | | | trans | 88.1 | 115.7 | 172.9 | -49.5 | -67 | 0 | 0 | 0 | 115.7 | | |
| 320 | S | 30.3 | Very low | 31.1 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | cis | 98.2 | 127.8 | 20.4 | 81.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 321 | N | 25.8 | Very low | 31 | Very low | 166 Ų | 166 | 138 Ų | 138 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | | | trans | -133 | 165.7 | 155.4 | -157.2 | -82.9 | 0 | 0 | 0 | 109.3 | | |
| 322 | L | 30.5 | Very low | 31 | Very low | 145 Ų | 145 | 136 Ų | 136 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | trans | -156.9 | 133.4 | -150.9 | 161 | 68.8 | 0 | 0 | 0 | 111.2 | | |
| 323 | E | 31.1 | Very low | 30.7 | Very low | 162 Ų | 162 | 137 Ų | 137 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | | | trans | -164.5 | 153.7 | 150.6 | -80.6 | -129.3 | 109.3 | 0 | 0 | 108.3 | | |
| 324 | Q | 31.4 | Very low | 30.7 | Very low | 152 Ų | 152 | 140.7 Ų | 140.7 | 71% | 0.71 | 76% | 0.758 | S | S | * | * | | | cis | -168.7 | 115.7 | -19.7 | 177 | -164.6 | 110.5 | 0 | 0 | 109.1 | | |
| 325 | E | 31.1 | Very low | 30.3 | Very low | 178 Ų | 178 | 144 Ų | 144 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | | | trans | -175.6 | 169.5 | 153.4 | -109.5 | -77.8 | 39.6 | 0 | 0 | 110.5 | | |
| 326 | R | 33.5 | Very low | 30.2 | Very low | 236 Ų | 236 | 147.7 Ų | 147.7 | 89% | 0.891 | 76% | 0.758 | S | S | * | * | | | trans | -123.9 | 153.6 | -159.1 | -56.1 | -179.3 | 179.1 | -167.7 | 0.7 | 115.7 | | |
| 327 | G | 32.1 | Very low | 30.3 | Very low | 66 Ų | 66 | 146.7 Ų | 146.7 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | | | trans | 152.5 | 70.2 | 133.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 328 | K | 36.9 | Very low | 30.7 | Very low | 195 Ų | 195 | 150.6 Ų | 150.6 | 85% | 0.848 | 74% | 0.743 | S | S | * | * | | | trans | 66.9 | 151.3 | 138.2 | -72 | -173.3 | 173.9 | -158.4 | 0 | 119.5 | | |
| 329 | E | 27 | Very low | 30.6 | Very low | 139 Ų | 139 | 153.1 Ų | 153.1 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | | | cis | -167.5 | 160 | -0.1 | 152.9 | 178.6 | 145.7 | 0 | 0 | 112.5 | | |
| 330 | N | 27.9 | Very low | 30.4 | Very low | 125 Ų | 125 | 149 Ų | 149 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | | | trans | 68 | 133.9 | 173.2 | -61.5 | -27.2 | 0 | 0 | 0 | 118.6 | | |
| 331 | E | 29.6 | Very low | 30.1 | Very low | 139 Ų | 139 | 153.5 Ų | 153.5 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | | | cis | 98.7 | 126.4 | 26.6 | -168.1 | 179.9 | 160.8 | 0 | 0 | 113.5 | K333 | E331-K333 IonicContact OE1-NZ 2.7Å; E331-K333 PolarHBondContact OE1-NZ 3.43Å |
| 332 | L | 30.6 | Very low | 30.3 | Very low | 143 Ų | 143 | 152.1 Ų | 152.1 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | | | cis | -166.8 | -172.9 | -20.7 | -112.2 | 179.6 | 0 | 0 | 0 | 109.6 | | |
| 333 | K | 29.1 | Very low | 30.2 | Very low | 138 Ų | 138 | 152.5 Ų | 152.5 | 60% | 0.6 | 74% | 0.737 | S | S | * | * | | | trans | 98.5 | 107.9 | 142.5 | -79.1 | 131.8 | -177.2 | 165.1 | 0 | 119.7 | E331 | E331-K333 IonicContact OE1-NZ 2.7Å; E331-K333 PolarHBondContact OE1-NZ 3.43Å |
| 334 | Q | 28.6 | Very low | 30.3 | Very low | 180 Ų | 180 | 151.2 Ų | 151.2 | 84% | 0.841 | 73% | 0.729 | S | S | * | * | | | | 66.9 | 119.7 | 119.2 | -70.3 | 175 | -22.9 | 0 | 0 | 121.5 | | |
| 335 | E | 25.3 | Very low | 30.5 | Very low | 191 Ų | 191 | 154.4 Ų | 154.4 | 89% | 0.893 | 73% | 0.734 | S | S | * | * | | | trans | -44.7 | 133.9 | 145 | 166 | -177.1 | -155.1 | 0 | 0 | 114.5 | | |
| 336 | E | 28.6 | Very low | 30.5 | Very low | 151 Ų | 151 | 149.2 Ų | 149.2 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | | | | -164.9 | 139.6 | 104 | -156.9 | -157.2 | 133.3 | 0 | 0 | 110.9 | R338 | E336-R338 IonicContact OE1-CZ 3.95Å; E336-R338 IonicContact OE1-NE 2.96Å; E336-R338 IonicContact OE1-NH2 3.17Å; E336-R338 PolarHBondContact OE1-NH2 2.95Å |
| 337 | G | 31.5 | Very low | 30.6 | Very low | 55 Ų | 55 | 145.6 Ų | 145.6 | 57% | 0.567 | 73% | 0.726 | S | S | * | * | | | trans | 115.3 | 92.8 | 133.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 338 | R | 38.5 | Very low | 30.7 | Very low | 208 Ų | 208 | 148.9 Ų | 148.9 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | | | trans | 71.8 | 127.4 | 131.6 | -53.7 | 164.4 | -155.6 | -165.2 | 7 | 121.1 | E336 | E336-R338 IonicContact OE1-CZ 3.95Å; E336-R338 IonicContact OE1-NE 2.96Å; E336-R338 IonicContact OE1-NH2 3.17Å; E336-R338 PolarHBondContact OE1-NH2 2.95Å |
| 339 | K | 33.7 | Very low | 30.8 | Very low | 185 Ų | 185 | 146.4 Ų | 146.4 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | | | trans | 77 | 114.9 | 133.1 | 76.7 | 170.6 | -179.1 | 174.1 | 0 | 123.4 | | |
| 340 | S | 25 | Very low | 31 | Very low | 73 Ų | 73 | 146.4 Ų | 146.4 | 51% | 0.51 | 73% | 0.733 | S | S | . | * | | | | 74.8 | 137.4 | 117.7 | 70.9 | 0 | 0 | 0 | 0 | 123.9 | | |
| 341 | F | 24.3 | Very low | 31.1 | Very low | 196 Ų | 196 | 150.6 Ų | 150.6 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | | | trans | 73.8 | 158.3 | 158.5 | -48.3 | -52.6 | 0 | 0 | 0 | 116.7 | | |
| 342 | L | 30.2 | Very low | 31.2 | Very low | 138 Ų | 138 | 148.6 Ų | 148.6 | 72% | 0.723 | 74% | 0.742 | S | S | * | * | | | cis | -177.8 | 146.1 | -25.3 | 172.9 | 116.1 | 0 | 0 | 0 | 108.3 | | |
| 343 | M | 29.1 | Very low | 31 | Very low | 152 Ų | 152 | 146.8 Ų | 146.8 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | | | trans | 68.6 | 165.6 | 166.3 | -83 | -160.5 | -169.8 | 0 | 0 | 118.1 | | |
| 344 | K | 33.3 | Very low | 31.1 | Very low | 136 Ų | 136 | 145.8 Ų | 145.8 | 59% | 0.591 | 75% | 0.752 | S | S | * | * | | | cis | 177.1 | 138.1 | -27.2 | 170.6 | 170.8 | -179.1 | 172.8 | 0 | 111.7 | | |
| 345 | R | 34.3 | Very low | 31.1 | Very low | 219 Ų | 219 | 140.8 Ų | 140.8 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | | | trans | 64.3 | 149.2 | 177 | -66.2 | 162.6 | -175.1 | 159.1 | -5.8 | 114.7 | | |
| 346 | G | 32 | Very low | 31.4 | Very low | 68 Ų | 68 | 138.6 Ų | 138.6 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | | | cis | 104.9 | 112.1 | -11.6 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 347 | D | 34.6 | Very low | 31.5 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | | | trans | -166.3 | 158.8 | 159.5 | -136 | -23.3 | 0 | 0 | 0 | 113.9 | | |
| 348 | V | 35.6 | Very low | 31.5 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | 65 | 156.8 | 161 | -179.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 349 | L | 38.9 | Very low | 31.2 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | | | trans | -132.5 | 133.9 | -164.2 | 174.9 | 80.1 | 0 | 0 | 0 | 110.3 | | |
| 350 | D | 30.7 | Very low | 31.5 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | | | | 175.4 | 139.5 | 120.9 | -106.9 | -40.1 | 0 | 0 | 0 | 116.7 | | |
| 351 | Y | 30 | Very low | 31.9 | Very low | 212 Ų | 212 | 134.4 Ų | 134.4 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | | | trans | 57.9 | 137.1 | 152.8 | -135 | -103.7 | 0 | 0 | 0 | 125 | | |
| 352 | S | 31.3 | Very low | 32.6 | Very low | 98 Ų | 98 | 129.7 Ų | 129.7 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | | | trans | 90.2 | 119.9 | 151.3 | -119.3 | 0 | 0 | 0 | 0 | 123.2 | | |
| 353 | S | 27.3 | Very low | 33.2 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | trans | 71.5 | 118.2 | 148.9 | -160.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 354 | S | 30.4 | Very low | 33.4 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | | | trans | 55.2 | 123.8 | 147.4 | 61.1 | 0 | 0 | 0 | 0 | 120.5 | | |
| 355 | G | 29.3 | Very low | 33.8 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | trans | 156 | 106.5 | 160 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 356 | V | 30.4 | Very low | 34.4 | Very low | 145 Ų | 145 | 124.3 Ų | 124.3 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | | | trans | -9.5 | 149.5 | 154.8 | 72.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 357 | S | 30.5 | Very low | 34.6 | Very low | 91 Ų | 91 | 128.4 Ų | 128.4 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | | | trans | 101.3 | 109.4 | 145 | -140.4 | 0 | 0 | 0 | 0 | 122.4 | | |
| 358 | T | 31.8 | Very low | 34.9 | Very low | 110 Ų | 110 | 127 Ų | 127 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | | | trans | 59.4 | 124.8 | 131 | 56.4 | 0 | 0 | 0 | 0 | 124.1 | | |
| 359 | N | 33.1 | Very low | 35.6 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | | | trans | 70.8 | 149.7 | 137.6 | -66.8 | 28.8 | 0 | 0 | 0 | 119.2 | | |
| 360 | E | 40.3 | Very low | 36.2 | Very low | 141 Ų | 141 | 131.6 Ų | 131.6 | 66% | 0.659 | 77% | 0.769 | S | S | * | * | | | cis | -158 | 145.1 | -5.7 | -118.5 | -87.8 | -151.8 | 0 | 0 | 109.6 | S362 | E360-S362 PolarHBondContact OE2-N 2.96Š|
| 361 | A | 32.1 | Very low | 37.1 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | | | trans | -173.9 | 85.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 362 | S | 38.5 | Very low | 38.2 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | | | trans | -60.8 | 154.9 | 172.3 | -75.2 | 0 | 0 | 0 | 0 | 113.3 | E360 | E360-S362 PolarHBondContact OE2-N 2.96Š|
| 363 | P | 42.7 | Very low | 38.4 | Very low | 121 Ų | 121 | 132 Ų | 132 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | | | trans | -77.8 | 155.9 | -163.1 | 31.4 | -37.3 | 0 | 0 | 0 | 114.4 | | |
| 364 | L | 33.7 | Very low | 38.7 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | | | trans | -117.5 | 127.5 | 154.9 | -75.6 | 175.6 | 0 | 0 | 0 | 109.5 | | |
| 365 | D | 43.2 | Very low | 39 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | | | trans | 38.8 | 92.6 | 146.4 | -51.3 | -25.1 | 0 | 0 | 0 | 117.4 | I367 | D365-I367 VanDerWaalsContact C-N 3.27Å; D365-I367 PolarHBondContact O-N 2.79Å |
| 366 | P | 45.9 | Very low | 39.2 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | | | trans | -68.8 | 86 | 166.1 | 30 | -34.2 | 0 | 0 | 0 | 111.1 | | |
| 367 | I | 37.3 | Very low | 39.2 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | | | trans | 40.2 | 109 | 147.7 | 52.4 | 168.7 | 0 | 0 | 0 | 118.4 | D365 | D365-I367 VanDerWaalsContact C-N 3.27Å; D365-I367 PolarHBondContact O-N 2.79Å |
| 368 | T | 39.5 | Very low | 39.2 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | | | trans | -58 | 136.5 | 147 | 45.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 369 | E | 51.3 | Low | 39.1 | Very low | 194 Ų | 194 | 135.1 Ų | 135.1 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | | | trans | -75.7 | 124.9 | 171.7 | 64.2 | -166.3 | 131.7 | 0 | 0 | 111.1 | | |
| 370 | E | 50.2 | Low | 39.2 | Very low | 182 Ų | 182 | 137 Ų | 137 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | | | trans | -117.4 | 106.1 | 162.9 | -73.3 | -163.2 | 108.8 | 0 | 0 | 109.3 | | |
| 371 | D | 50.4 | Low | 38.9 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 64% | 0.642 | 78% | 0.778 | S | S | * | * | | | | 46.4 | 123.5 | 125.7 | -151.3 | 75.3 | 0 | 0 | 0 | 120.8 | K373 | D371-K373 IonicContact OD1-NZ 3.33Å; D371-K373 PolarHBondContact OD1-NZ 2.9Å; D371-K373 PolarHBondContact OD2-N 2.82Å; D371-K373 IonicContact OD2-NZ 3.02Å; D371-K373 PolarHBondContact OD2-NZ 3.04Å |
| 372 | E | 52.6 | Low | 38.9 | Very low | 191 Ų | 191 | 141.2 Ų | 141.2 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | | | trans | -108.9 | 104.4 | 162.6 | -170.5 | -172.8 | 128.2 | 0 | 0 | 110.4 | | |
| 373 | K | 36.9 | Very low | 39.1 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 63% | 0.63 | 79% | 0.787 | S | S | * | * | | | trans | -173.7 | 106.7 | 143.6 | 52.1 | -147.1 | 156.6 | -63.8 | 0 | 114.1 | D371 | D371-K373 IonicContact OD1-NZ 3.33Å; D371-K373 PolarHBondContact OD1-NZ 2.9Å; D371-K373 PolarHBondContact OD2-N 2.82Å; D371-K373 IonicContact OD2-NZ 3.02Å; D371-K373 PolarHBondContact OD2-NZ 3.04Å |
| 374 | S | 33.7 | Very low | 38.4 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | | | trans | 43.8 | 122.2 | 140.3 | -89.4 | 0 | 0 | 0 | 0 | 122.5 | | |
| 375 | D | 35.3 | Very low | 38.2 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | | | | 62.9 | 95.5 | 127 | -64.8 | -71.3 | 0 | 0 | 0 | 119.7 | | |
| 376 | Q | 33.8 | Very low | 37.6 | Very low | 187 Ų | 187 | 145.5 Ų | 145.5 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | | -175.6 | 168.3 | 91.7 | -103.7 | 161.6 | 63 | 0 | 0 | 116.1 | | |
| 377 | S | 30.1 | Very low | 36.6 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -45.3 | 150.4 | 172.2 | -51 | 0 | 0 | 0 | 0 | 114.8 | | |
| 378 | G | 31.2 | Very low | 36.2 | Very low | 71 Ų | 71 | 142.4 Ų | 142.4 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | | | cis | 139.1 | 174.9 | 0.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 379 | S | 29.5 | Very low | 35.5 | Very low | 95 Ų | 95 | 144.8 Ų | 144.8 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | | | trans | 75.2 | 97.2 | 167.5 | -172.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 380 | K | 35.6 | Very low | 34.7 | Very low | 184 Ų | 184 | 147 Ų | 147 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | | 56.1 | 121.1 | 128.4 | -48.4 | 163.3 | -158.3 | 161.5 | 0 | 119.5 | | |
| 381 | L | 33.4 | Very low | 34.3 | Very low | 168 Ų | 168 | 143.8 Ų | 143.8 | 88% | 0.88 | 79% | 0.788 | S | S | * | * | | | | 176.9 | 153.1 | 90.4 | -90.3 | -177.6 | 0 | 0 | 0 | 112.6 | | |
| 382 | L | 32.1 | Very low | 33.3 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -94.1 | 179 | 163.8 | -56.2 | 173.9 | 0 | 0 | 0 | 109.2 | | |
| 383 | P | 43.2 | Very low | 32.6 | Very low | 130 Ų | 130 | 140.5 Ų | 140.5 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | | | cis | -125.1 | -170.5 | -29.7 | 27.6 | -6.5 | 0 | 0 | 0 | 110.7 | | |
| 384 | G | 27 | Very low | 32.7 | Very low | 79 Ų | 79 | 141.5 Ų | 141.5 | 81% | 0.814 | 79% | 0.788 | S | S | * | * | | | trans | 170.8 | 113.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 385 | K | 30.1 | Very low | 32.8 | Very low | 199 Ų | 199 | 143.8 Ų | 143.8 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | | | trans | -86.1 | 145.7 | 167.3 | -67.1 | 169.8 | 173.2 | 171.6 | 0 | 110.6 | | |
| 386 | K | 31.3 | Very low | 32.6 | Very low | 186 Ų | 186 | 144.1 Ų | 144.1 | 81% | 0.809 | 80% | 0.795 | S | S | * | * | | | trans | 60 | 147.4 | 146.2 | 67.8 | 167.7 | -177.3 | 172.9 | 0 | 120.5 | | |
| 387 | S | 24.9 | Very low | 32.6 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | 62.7 | 152.6 | 158 | 38.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 388 | S | 27.1 | Very low | 32.8 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | cis | -166.7 | -178 | -18.7 | -173.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 389 | E | 25.7 | Very low | 32.9 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | | | trans | 72.3 | 95.9 | 158.9 | -51.6 | -162.5 | 119.7 | 0 | 0 | 119.6 | | |
| 390 | R | 34.7 | Very low | 33.3 | Very low | 240 Ų | 240 | 148.9 Ų | 148.9 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | | | | -9.6 | 164.5 | 116.9 | -97.9 | -175.4 | 172.8 | 171.5 | -2.3 | 117.1 | | |
| 391 | P | 42.3 | Very low | 33.2 | Very low | 115 Ų | 115 | 149.8 Ų | 149.8 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | | | cis | -146.2 | -167.2 | 26.4 | 38.4 | -16 | 0 | 0 | 0 | 117.4 | | |
| 392 | S | 28.5 | Very low | 33.1 | Very low | 99 Ų | 99 | 145.3 Ų | 145.3 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | | | trans | 87.3 | 111.6 | 148.9 | -137.8 | 0 | 0 | 0 | 0 | 117 | | |
| 393 | L | 38.8 | Very low | 33.1 | Very low | 144 Ų | 144 | 143.6 Ų | 143.6 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | | -139.9 | 173.6 | 64.8 | -117.9 | 71.9 | 0 | 0 | 0 | 114.8 | | |
| 394 | F | 38 | Very low | 32.5 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 73% | 0.728 | 77% | 0.773 | S | S | * | * | | | trans | -27.4 | 161.2 | 170.1 | -56.4 | -62.3 | 0 | 0 | 0 | 119.1 | | |
| 395 | Q | 35.9 | Very low | 32.9 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | | | cis | 176.9 | 129.9 | -12.7 | 175.4 | 172.5 | 54.2 | 0 | 0 | 104.5 | | |
| 396 | T | 30.8 | Very low | 33.3 | Very low | 137 Ų | 137 | 142.9 Ų | 142.9 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | | | | -164.6 | 173.5 | 75.7 | 47.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 397 | D | 33.8 | Very low | 33.2 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 66% | 0.658 | 76% | 0.762 | S | S | * | * | | | | -152.4 | 168.2 | -80 | -154.3 | -16.8 | 0 | 0 | 0 | 108.4 | | |
| 398 | L | 34.4 | Very low | 33.5 | Very low | 133 Ų | 133 | 146.8 Ų | 146.8 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | | | trans | 67.2 | 139.4 | 169.6 | -87.1 | 67.7 | 0 | 0 | 0 | 117.7 | | |
| 399 | K | 34.5 | Very low | 33.8 | Very low | 172 Ų | 172 | 149.6 Ų | 149.6 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | cis | -160.5 | 115.8 | -6.6 | -166.8 | 146.7 | 153.3 | -178.1 | 0 | 113.7 | | |
| 400 | L | 37.7 | Very low | 34.7 | Very low | 150 Ų | 150 | 147.9 Ų | 147.9 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | trans | 53.4 | 119.9 | 146.6 | -95.3 | 70.7 | 0 | 0 | 0 | 123.2 | | |
| 401 | K | 31.9 | Very low | 35.6 | Very low | 202 Ų | 202 | 142 Ų | 142 | 88% | 0.878 | 75% | 0.751 | S | S | * | * | | | | 83 | 107.4 | 115.5 | -168.9 | -179.3 | -179.6 | -178.7 | 0 | 119.9 | | |
| 402 | G | 32.8 | Very low | 35.1 | Very low | 75 Ų | 75 | 140.8 Ų | 140.8 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | | | trans | -154.6 | 143.4 | 162 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 403 | S | 30.9 | Very low | 35.6 | Very low | 122 Ų | 122 | 142 Ų | 142 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | | | trans | -68.5 | 153.9 | 179.5 | 179.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 404 | G | 31.6 | Very low | 35.6 | Very low | 63 Ų | 63 | 143.1 Ų | 143.1 | 65% | 0.649 | 75% | 0.746 | S | S | * | * | | | trans | -78.9 | -164.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 405 | L | 35.8 | Very low | 35.8 | Very low | 143 Ų | 143 | 142.3 Ų | 142.3 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | | | trans | 97.3 | 96 | -176 | -58.7 | -176 | 0 | 0 | 0 | 116.4 | | |
| 406 | R | 37.1 | Very low | 36.2 | Very low | 188 Ų | 188 | 142.9 Ų | 142.9 | 71% | 0.709 | 75% | 0.752 | S | S | * | * | | | trans | 56.4 | 129.8 | 134 | 71.3 | -135.6 | -82.7 | 175.7 | -9.3 | 122.3 | | |
| 407 | Y | 30.2 | Very low | 36.4 | Very low | 206 Ų | 206 | 141.6 Ų | 141.6 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | | | trans | 91.9 | 150.7 | 159.5 | -58.5 | -64.3 | 0 | 0 | 0 | 120.1 | | |
| 408 | Q | 31.5 | Very low | 36.5 | Very low | 170 Ų | 170 | 139 Ų | 139 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | | | trans | 72 | 102.1 | 162.4 | -61.9 | -78.7 | 31.3 | 0 | 0 | 120.5 | | |
| 409 | K | 33.3 | Very low | 36.5 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | | | | 67.7 | 107.4 | 103.6 | -167.5 | 84.8 | 168.8 | 177.3 | 0 | 120.5 | | |
| 410 | L | 44.8 | Very low | 36.4 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | | | trans | 69.4 | 174.9 | 148.8 | -62.9 | -177 | 0 | 0 | 0 | 116.4 | | |
| 411 | P | 52 | Low | 36.4 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | | | cis | -136.7 | -149.7 | 9.5 | 46.1 | -26.6 | 0 | 0 | 0 | 115.8 | | |
| 412 | S | 33.4 | Very low | 36.9 | Very low | 91 Ų | 91 | 136 Ų | 136 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | trans | 97.6 | 129.9 | 164.4 | -68.3 | 0 | 0 | 0 | 0 | 118.7 | | |
| 413 | D | 37.8 | Very low | 37.1 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 66% | 0.658 | 75% | 0.747 | S | S | * | * | | | cis | -152.1 | 151.7 | -3.5 | -94.1 | -25.9 | 0 | 0 | 0 | 113.7 | | |
| 414 | E | 39.2 | Very low | 37.3 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | | | trans | 49.4 | 145.1 | 140.2 | -59.8 | 170.8 | 157.4 | 0 | 0 | 122 | | |
| 415 | D | 42.2 | Very low | 37.5 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | | | cis | -164.5 | -163.1 | -35.9 | -128.4 | 61.4 | 0 | 0 | 0 | 106.1 | | |
| 416 | E | 44.9 | Very low | 37.8 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | | | cis | -150.7 | 145.1 | 8.8 | -169.2 | -143.9 | -75.9 | 0 | 0 | 109 | | |
| 417 | S | 34.5 | Very low | 37.7 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | | | trans | 63.2 | 143.6 | 163.7 | -164.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 418 | G | 35.2 | Very low | 38.1 | Very low | 67 Ų | 67 | 136.6 Ų | 136.6 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | | | cis | -173.1 | 167.6 | -1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 419 | T | 35.8 | Very low | 38.4 | Very low | 129 Ų | 129 | 136 Ų | 136 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | trans | -69.2 | 155.2 | 173.5 | 48.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 420 | E | 32.6 | Very low | 38.5 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | | -178.7 | -177.4 | 64.1 | 59.4 | -157.5 | 126.3 | 0 | 0 | 114.8 | | |
| 421 | E | 38 | Very low | 38.2 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | | | trans | 47.3 | 136.3 | 166.6 | 80.1 | -178.2 | 175 | 0 | 0 | 123.7 | | |
| 422 | S | 41.6 | Very low | 37.6 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | | | trans | -127 | 95.9 | 165.2 | 62.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 423 | D | 35.9 | Very low | 37.7 | Very low | 104 Ų | 104 | 141.2 Ų | 141.2 | 56% | 0.556 | 77% | 0.766 | S | S | * | * | | | trans | -132.7 | 145.3 | 169 | -159.7 | -45.8 | 0 | 0 | 0 | 108.9 | T425 | D423-T425 WeakPolarHBondContact OD1-CB 3.43Å; D423-T425 WeakPolarHBondContact OD1-CG2 3.38Å; D423-T425 PolarHBondContact OD1-N 2.87Å; D423-T425 PolarHBondContact OD1-OG1 3.17Å |
| 424 | N | 35.3 | Very low | 37.7 | Very low | 168 Ų | 168 | 143.4 Ų | 143.4 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | | | trans | -136.2 | 53.8 | 177.2 | -98.7 | -105 | 0 | 0 | 0 | 109.8 | | |
| 425 | T | 37.2 | Very low | 37.2 | Very low | 96 Ų | 96 | 145 Ų | 145 | 59% | 0.589 | 77% | 0.774 | S | S | * | * | | | trans | -94.5 | 119.4 | 169 | 39.3 | 0 | 0 | 0 | 0 | 110.9 | D423 L427 | D423-T425 WeakPolarHBondContact OD1-CB 3.43Å; D423-T425 WeakPolarHBondContact OD1-CG2 3.38Å; D423-T425 PolarHBondContact OD1-N 2.87Å; D423-T425 PolarHBondContact OD1-OG1 3.17Å; T425-L427 PolarHBondContact O-N 3.06Å |
| 426 | P | 41 | Very low | 36.8 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | | | trans | -76.4 | 94.9 | -179 | 29.8 | -33.8 | 0 | 0 | 0 | 111.2 | L428 | P426-L428 PolarHBondContact O-N 3.49Š|
| 427 | L | 36.2 | Very low | 36 | Very low | 135 Ų | 135 | 143.8 Ų | 143.8 | 71% | 0.707 | 78% | 0.78 | S | S | * | * | | | trans | -75.1 | 115.9 | 175.3 | -78.2 | 170.6 | 0 | 0 | 0 | 112 | T425 | T425-L427 PolarHBondContact O-N 3.06Š|
| 428 | L | 38.5 | Very low | 35.9 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | | | trans | -86.3 | 117.2 | 155.9 | -80.4 | 171.8 | 0 | 0 | 0 | 109.7 | P426 | P426-L428 PolarHBondContact O-N 3.49Š|
| 429 | K | 36.7 | Very low | 35.8 | Very low | 157 Ų | 157 | 147.5 Ų | 147.5 | 68% | 0.683 | 78% | 0.78 | S | S | * | * | | | trans | -128.6 | 154.8 | 164.7 | -71.6 | -176 | 179.3 | 170.5 | 0 | 106.8 | | |
| 430 | D | 35.3 | Very low | 35.5 | Very low | 139 Ų | 139 | 145.7 Ų | 145.7 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | | | cis | -160.9 | 128.4 | -17.2 | -109.1 | -47.9 | 0 | 0 | 0 | 102.3 | | |
| 431 | D | 39.2 | Very low | 35.3 | Very low | 172 Ų | 172 | 144.5 Ų | 144.5 | 92% | 0.92 | 77% | 0.773 | S | S | * | * | | | trans | -140.7 | 136.1 | 173.3 | -127.4 | -40.1 | 0 | 0 | 0 | 113.2 | | |
| 432 | K | 39.7 | Very low | 35.2 | Very low | 182 Ų | 182 | 146.1 Ų | 146.1 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | -153.5 | 96.5 | -155.9 | 173 | -163.2 | 168.9 | -177.9 | 0 | 109.2 | | |
| 433 | D | 34.2 | Very low | 34.6 | Very low | 131 Ų | 131 | 146.8 Ų | 146.8 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | | | trans | -152.4 | 152.8 | 141.8 | -122.3 | -21.3 | 0 | 0 | 0 | 119.4 | | |
| 434 | K | 37.7 | Very low | 34.4 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 74% | 0.735 | 77% | 0.774 | S | S | * | * | | | trans | -52.8 | 134.8 | -171.5 | -51.8 | 151.2 | -158.1 | 91.4 | 0 | 116.1 | | |
| 435 | K | 30.4 | Very low | 34 | Very low | 202 Ų | 202 | 147.3 Ų | 147.3 | 88% | 0.878 | 77% | 0.774 | S | S | * | * | | | | 175.3 | 129 | 109.8 | -93.1 | -174.8 | 177.2 | -175.8 | 0 | 109.2 | | |
| 436 | A | 32.8 | Very low | 33.3 | Very low | 97 Ų | 97 | 148.1 Ų | 148.1 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | | | | 78.9 | 84.4 | 59.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 437 | E | 27.5 | Very low | 33.4 | Very low | 188 Ų | 188 | 147.1 Ų | 147.1 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | | | | -162.6 | 167.8 | 117.5 | -171.3 | 159.7 | -169.3 | 0 | 0 | 108.3 | | |
| 438 | G | 32.1 | Very low | 32.8 | Very low | 60 Ų | 60 | 150.2 Ų | 150.2 | 62% | 0.619 | 79% | 0.787 | S | S | * | * | | | trans | -163.4 | 148.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 439 | K | 33.3 | Very low | 32.5 | Very low | 195 Ų | 195 | 150.3 Ų | 150.3 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | | | trans | -173.8 | 142.9 | 165.2 | -107.9 | 157.6 | -173.6 | 171.2 | 0 | 112 | | |
| 440 | A | 31.1 | Very low | 32.2 | Very low | 91 Ų | 91 | 147.9 Ų | 147.9 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | trans | 64.5 | 164.7 | 151.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 441 | E | 27.1 | Very low | 32 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 67% | 0.673 | 79% | 0.787 | S | S | * | * | | | cis | 177.3 | 136.1 | -32.4 | -177 | 155.5 | -154.8 | 0 | 0 | 108.1 | | |
| 442 | R | 37.2 | Very low | 31.8 | Very low | 207 Ų | 207 | 147 Ų | 147 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | | | cis | -151.8 | -155.1 | -10.1 | -129.4 | -170.5 | -65.6 | 161 | -1.5 | 106.8 | | |
| 443 | V | 28.7 | Very low | 32.3 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | | | trans | 78.5 | 127.2 | 158.7 | -172.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 444 | A | 30.7 | Very low | 32.4 | Very low | 78 Ų | 78 | 142.6 Ų | 142.6 | 65% | 0.645 | 77% | 0.77 | S | S | * | * | | | cis | -160.5 | 152.9 | -9.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 445 | K | 26.8 | Very low | 32.4 | Very low | 205 Ų | 205 | 144.5 Ų | 144.5 | 89% | 0.891 | 77% | 0.772 | S | S | * | * | | | trans | 53.6 | 115.6 | 141.5 | -66.3 | 178 | 179.8 | -175.7 | 0 | 122 | | |
| 446 | S | 23.9 | Very low | 32.7 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | | | trans | -84.8 | -166.9 | 143.6 | -148.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 447 | P | 42.4 | Very low | 32.8 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | | | cis | -136.4 | -176.2 | -11.3 | 43.2 | -26.9 | 0 | 0 | 0 | 114.7 | | |
| 448 | E | 23.8 | Very low | 33.5 | Very low | 200 Ų | 200 | 143.4 Ų | 143.4 | 94% | 0.935 | 76% | 0.763 | S | S | * | * | | | trans | -159 | 154.2 | 137.6 | -121.1 | 166.3 | -169.3 | 0 | 0 | 112.8 | | |
| 449 | H | 32 | Very low | 34 | Very low | 178 Ų | 178 | 150.2 Ų | 150.2 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | trans | -164 | 129.7 | -166.4 | 174.2 | -65.6 | 0 | 0 | 0 | 113.2 | | |
| 450 | S | 30.3 | Very low | 34.3 | Very low | 105 Ų | 105 | 145.1 Ų | 145.1 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | | | trans | -174.9 | 163 | 155.3 | 59.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 451 | V | 32.1 | Very low | 34.5 | Very low | 129 Ų | 129 | 148.4 Ų | 148.4 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | | | cis | -134.4 | 147.7 | 14.8 | 176.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 452 | E | 33.6 | Very low | 35 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | | | trans | -113.2 | 153.3 | 168.5 | -162 | -157.6 | -97.2 | 0 | 0 | 109.3 | | |
| 453 | P | 50.5 | Low | 35.2 | Very low | 102 Ų | 102 | 148 Ų | 148 | 66% | 0.662 | 77% | 0.767 | S | S | * | * | | | | -154.6 | 140.4 | 118.4 | 33.9 | -13.8 | 0 | 0 | 0 | 119.1 | | |
| 454 | I | 36.3 | Very low | 35.7 | Very low | 118 Ų | 118 | 150.1 Ų | 150.1 | 61% | 0.605 | 77% | 0.773 | S | S | * | * | | | | 82.6 | 108.3 | 128.9 | -67.9 | 173.5 | 0 | 0 | 0 | 121.7 | | |
| 455 | R | 37.4 | Very low | 36.1 | Very low | 208 Ų | 208 | 150.5 Ų | 150.5 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | trans | 62.1 | 148.1 | 135.3 | -56.9 | 177.6 | -167.4 | 159.6 | 2.4 | 119.1 | | |
| 456 | T | 36.3 | Very low | 36.6 | Very low | 123 Ų | 123 | 148.6 Ų | 148.6 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | cis | -159.2 | 164.4 | 47.3 | -50.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 457 | F | 36.5 | Very low | 37.4 | Very low | 175 Ų | 175 | 146.9 Ų | 146.9 | 77% | 0.768 | 76% | 0.763 | S | S | * | * | | | trans | -60 | 161.9 | 177 | -42.1 | -91.8 | 0 | 0 | 0 | 114.3 | | |
| 458 | I | 42.1 | Very low | 37.7 | Very low | 166 Ų | 166 | 149 Ų | 149 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | | | | -169 | 166 | 71.1 | -105.9 | 138.2 | 0 | 0 | 0 | 112.1 | | |
| 459 | K | 43 | Very low | 38.9 | Very low | 203 Ų | 203 | 147.2 Ų | 147.2 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | | | trans | -115.6 | 117.9 | 178.5 | 172.2 | -173.1 | 175.4 | 179.3 | 0 | 112.9 | | |
| 460 | A | 38.6 | Very low | 39.5 | Very low | 89 Ų | 89 | 145.9 Ų | 145.9 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | | | trans | -155.2 | 139.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 461 | K | 35.2 | Very low | 40.3 | Very low | 160 Ų | 160 | 150 Ų | 150 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | | | cis | 94.2 | 102.4 | 26.2 | -164.9 | 175.7 | -166 | -86.2 | 0 | 114.2 | | |
| 462 | E | 38.5 | Very low | 41.4 | Very low | 137 Ų | 137 | 152 Ų | 152 | 64% | 0.64 | 77% | 0.765 | S | S | * | * | | | trans | 74.2 | 126.5 | 153.7 | -69.7 | 164.6 | -171.6 | 0 | 0 | 121.3 | | |
| 463 | Y | 40 | Very low | 41.5 | Very low | 206 Ų | 206 | 149.9 Ų | 149.9 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | | | trans | 28 | 120.8 | 139.4 | -66.9 | -94.6 | 0 | 0 | 0 | 120.5 | | |
| 464 | L | 39.3 | Very low | 41 | Very low | 183 Ų | 183 | 149.7 Ų | 149.7 | 96% | 0.958 | 76% | 0.76 | S | S | * | * | | | | -137.6 | 154.8 | 114.7 | -93 | 178.1 | 0 | 0 | 0 | 109.3 | | |
| 465 | S | 38.9 | Very low | 41.5 | Very low | 85 Ų | 85 | 149.6 Ų | 149.6 | 59% | 0.594 | 77% | 0.77 | S | S | * | * | | | trans | -121.7 | 173.2 | -176.4 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 466 | D | 37.8 | Very low | 41.6 | Very low | 166 Ų | 166 | 147.2 Ų | 147.2 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | | | trans | 69.1 | 152.4 | 179.1 | -61 | -34 | 0 | 0 | 0 | 114.9 | | |
| 467 | A | 40 | Very low | 42 | Very low | 77 Ų | 77 | 146.1 Ų | 146.1 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | | | cis | -148.3 | 160.7 | 15.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 468 | L | 49 | Very low | 42.4 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | | | trans | 66.3 | 124.3 | 158.6 | -55 | 166.4 | 0 | 0 | 0 | 116.3 | | |
| 469 | L | 49.4 | Very low | 42.8 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | | 58 | 93.3 | 59.7 | -66.6 | 173.9 | 0 | 0 | 0 | 114.5 | | |
| 470 | D | 44.4 | Very low | 43.2 | Very low | 150 Ų | 150 | 142 Ų | 142 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | | -150.6 | 164 | 119 | -162.4 | 18.3 | 0 | 0 | 0 | 111.8 | | |
| 471 | K | 47.8 | Very low | 43.8 | Very low | 192 Ų | 192 | 142.9 Ų | 142.9 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | | | trans | -113.4 | 106.2 | 168.4 | -75.4 | -176.6 | 175.3 | -174.8 | 0 | 109.8 | | |
| 472 | K | 53.9 | Low | 43.8 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | | | trans | -156.7 | 151.4 | 165.2 | -142.1 | 71.6 | -163.6 | -169.1 | 0 | 115.1 | | |
| 473 | D | 37.4 | Very low | 43.6 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 65% | 0.652 | 78% | 0.781 | S | S | * | * | | | trans | 12.4 | 147.1 | 147.5 | -76 | -54.7 | 0 | 0 | 0 | 120.9 | | |
| 474 | S | 38.8 | Very low | 43.3 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | | | cis | -165 | -173.5 | -9.7 | -129 | 0 | 0 | 0 | 0 | 110.6 | | |
| 475 | S | 46.3 | Very low | 43.4 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | | | trans | -50 | 149.6 | 167.3 | -45.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 476 | D | 39.8 | Very low | 43.9 | Very low | 158 Ų | 158 | 135.1 Ų | 135.1 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | | | trans | -133.1 | 158.3 | 143.9 | -164.3 | 14.7 | 0 | 0 | 0 | 110.5 | | |
| 477 | S | 45.9 | Very low | 43.8 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | | | trans | -106.8 | 148 | -169.1 | 62.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 478 | G | 43.8 | Very low | 43.5 | Very low | 80 Ų | 80 | 139.2 Ų | 139.2 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | trans | -139.3 | 37.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | R480 | G478-R480 PolarHBondContact O-N 2.82Å; G478-R480 VanDerWaalsContact O-N 3.17Å |
| 479 | V | 51.4 | Low | 42.8 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | | | trans | -69.6 | 109 | 178.5 | -75.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 480 | R | 49.8 | Very low | 42.4 | Very low | 237 Ų | 237 | 136.3 Ų | 136.3 | 89% | 0.894 | 77% | 0.769 | S | S | * | * | | | trans | -143.1 | 119.3 | 160.2 | -83.7 | -164.5 | 155.3 | 87.2 | 2.4 | 111 | G478 | G478-R480 PolarHBondContact O-N 2.82Å; G478-R480 VanDerWaalsContact O-N 3.17Å |
| 481 | S | 52.5 | Low | 41.9 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | trans | -95.7 | -175.1 | 163 | -57.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 482 | N | 34.1 | Very low | 41.4 | Very low | 146 Ų | 146 | 133.2 Ų | 133.2 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | | | trans | 77 | 144.3 | -172.1 | -48.4 | 30 | 0 | 0 | 0 | 111.1 | | |
| 483 | E | 35.4 | Very low | 40.9 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | | | cis | -154 | 144.9 | 28.1 | -176.9 | 53 | -118.1 | 0 | 0 | 111.6 | | |
| 484 | S | 33.6 | Very low | 40.8 | Very low | 100 Ų | 100 | 131 Ų | 131 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | trans | 43.7 | 131.3 | 159.6 | -73.2 | 0 | 0 | 0 | 0 | 124.4 | | |
| 485 | S | 42.1 | Very low | 40.7 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | | | trans | -95.2 | 179.7 | 135.9 | -54.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 486 | P | 49.2 | Very low | 40.1 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | | | cis | -140.1 | -169 | 3.7 | 40.8 | -20.4 | 0 | 0 | 0 | 115.7 | | |
| 487 | N | 34.5 | Very low | 39.6 | Very low | 152 Ų | 152 | 131.2 Ų | 131.2 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | | | trans | 71 | 133.2 | 155.2 | -65.3 | -26.6 | 0 | 0 | 0 | 121.6 | | |
| 488 | H | 34.3 | Very low | 39.3 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 82% | 0.819 | 75% | 0.754 | S | S | * | * | | | trans | -151.2 | 116.2 | 136 | -157.9 | -101.1 | 0 | 0 | 0 | 114.2 | | |
| 489 | S | 35.2 | Very low | 38.7 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | | | trans | 48.1 | 134.4 | 151.2 | -56 | 0 | 0 | 0 | 0 | 124.5 | | |
| 490 | L | 40.6 | Very low | 38.1 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | | | trans | -63.4 | 167 | 156.3 | -64.2 | 162.6 | 0 | 0 | 0 | 112.4 | | |
| 491 | H | 32.7 | Very low | 37.4 | Very low | 183 Ų | 183 | 130.8 Ų | 130.8 | 85% | 0.847 | 74% | 0.735 | S | S | * | * | | | trans | -147.3 | 150.1 | 160.9 | -168.8 | 53.8 | 0 | 0 | 0 | 113.5 | | |
| 492 | N | 37.3 | Very low | 36.8 | Very low | 93 Ų | 93 | 134.2 Ų | 134.2 | 50% | 0.497 | 74% | 0.737 | S | S | . | * | | | trans | -153 | 150.5 | -164.9 | -60.9 | 77.4 | 0 | 0 | 0 | 106.5 | | |
| 493 | E | 44.4 | Very low | 36.9 | Very low | 169 Ų | 169 | 130.8 Ų | 130.8 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | | | cis | -169.8 | 178.8 | 4.2 | -122.1 | 168.9 | 74.7 | 0 | 0 | 107.4 | | |
| 494 | A | 34.9 | Very low | 36.9 | Very low | 78 Ų | 78 | 131 Ų | 131 | 65% | 0.645 | 73% | 0.734 | S | S | * | * | | | cis | -159.9 | -167.1 | 1.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 495 | A | 37.5 | Very low | 37.1 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | | | trans | 74.2 | 165.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 496 | D | 33.1 | Very low | 37.1 | Very low | 152 Ų | 152 | 136 Ų | 136 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | | | cis | -150.3 | 176 | 4 | -146.3 | -7 | 0 | 0 | 0 | 114.3 | | |
| 497 | D | 29.7 | Very low | 36.6 | Very low | 132 Ų | 132 | 139 Ų | 139 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | | | trans | -7.6 | 134.2 | 174.6 | -112.5 | -23.6 | 0 | 0 | 0 | 124.6 | | |
| 498 | S | 38.3 | Very low | 36.9 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | | | | 25.8 | 156.3 | 120.6 | -48.4 | 0 | 0 | 0 | 0 | 125.4 | | |
| 499 | Q | 31.6 | Very low | 37.1 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | | | trans | 97.2 | 119.3 | 147.6 | -168.6 | 174.8 | -24.1 | 0 | 0 | 120.2 | | |
| 500 | L | 40.3 | Very low | 37.5 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | | | trans | 160.2 | 86 | 148.3 | -91.2 | 168.3 | 0 | 0 | 0 | 107.4 | | |
| 501 | E | 34.3 | Very low | 37.4 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 58% | 0.575 | 76% | 0.758 | S | S | * | * | | | | 73.8 | 122.2 | 71.3 | -152.8 | -158.9 | 166.8 | 0 | 0 | 115.8 | | |
| 502 | K | 40.4 | Very low | 37.4 | Very low | 180 Ų | 180 | 137.7 Ų | 137.7 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | | | trans | 71.3 | 149.2 | 162.9 | -88 | 163.2 | -174.9 | 147.3 | 0 | 118.2 | | |
| 503 | A | 35.2 | Very low | 37.3 | Very low | 73 Ų | 73 | 140.8 Ų | 140.8 | 60% | 0.603 | 76% | 0.759 | S | S | * | * | | | cis | -155.2 | 176.5 | 0.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 504 | N | 35.2 | Very low | 36.6 | Very low | 152 Ų | 152 | 139 Ų | 139 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | | | trans | 75.8 | 78.6 | 165.6 | -47.3 | -47.2 | 0 | 0 | 0 | 116 | | |
| 505 | L | 39.3 | Very low | 36.5 | Very low | 160 Ų | 160 | 139 Ų | 139 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | | | | 38.4 | 106.8 | 73 | -162.9 | 77.5 | 0 | 0 | 0 | 114.3 | | |
| 506 | I | 41.3 | Very low | 37 | Very low | 155 Ų | 155 | 143.9 Ų | 143.9 | 80% | 0.795 | 78% | 0.777 | S | S | * | * | | | | -168.4 | 132.5 | 115 | -92 | 154.7 | 0 | 0 | 0 | 108.4 | | |
| 507 | E | 38.4 | Very low | 37.2 | Very low | 169 Ų | 169 | 148.7 Ų | 148.7 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -120.4 | 128.7 | 174.9 | 170.2 | 179.1 | -123.3 | 0 | 0 | 106.9 | | |
| 508 | L | 40.6 | Very low | 37.2 | Very low | 168 Ų | 168 | 146.2 Ų | 146.2 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | | | trans | -150 | 124.3 | 166.2 | -80.5 | -175.6 | 0 | 0 | 0 | 109.7 | | |
| 509 | E | 38.1 | Very low | 37.3 | Very low | 185 Ų | 185 | 149.4 Ų | 149.4 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | -87.6 | 151.7 | 172.5 | -53.7 | 171.7 | 117.5 | 0 | 0 | 110.7 | | |
| 510 | D | 44.3 | Very low | 38.3 | Very low | 159 Ų | 159 | 146.7 Ų | 146.7 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | | | trans | -158.6 | 141.9 | 149.4 | -170.8 | 26.9 | 0 | 0 | 0 | 110.8 | | |
| 511 | E | 37.8 | Very low | 37.8 | Very low | 166 Ų | 166 | 146.5 Ų | 146.5 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | -126.7 | 93.2 | 178.8 | -162.9 | -147.3 | 114.3 | 0 | 0 | 111.1 | | |
| 512 | G | 33.2 | Very low | 37.8 | Very low | 61 Ų | 61 | 145.7 Ų | 145.7 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | | | trans | -132.8 | 53.9 | -155.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 513 | H | 35.5 | Very low | 37.7 | Very low | 159 Ų | 159 | 144.5 Ų | 144.5 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | | | trans | 40.8 | 131.2 | 146.1 | -72.7 | 74.4 | 0 | 0 | 0 | 122.9 | | |
| 514 | S | 30.3 | Very low | 37.4 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | | | trans | 94.4 | 160.8 | 144.2 | 88.2 | 0 | 0 | 0 | 0 | 121.4 | | |
| 515 | G | 32.8 | Very low | 37.3 | Very low | 77 Ų | 77 | 143.5 Ų | 143.5 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | | | trans | 116.7 | 103.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 516 | K | 47.8 | Very low | 37 | Very low | 194 Ų | 194 | 143.6 Ų | 143.6 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | trans | -119.5 | 132.6 | 167.9 | -73.5 | -172 | 180 | -177.5 | 0 | 112.6 | | |
| 517 | R | 37.4 | Very low | 36.8 | Very low | 254 Ų | 254 | 145.9 Ų | 145.9 | 96% | 0.958 | 82% | 0.815 | S | S | * | * | | | trans | 118.3 | 145.8 | 153.3 | -69.7 | 170.4 | -75 | -166.6 | -2.7 | 115.6 | | |
| 518 | G | 29.1 | Very low | 36.8 | Very low | 79 Ų | 79 | 144.6 Ų | 144.6 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | | | trans | 137.4 | 83.4 | 149.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 519 | M | 40.1 | Very low | 37.1 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 83% | 0.833 | 80% | 0.802 | S | S | * | * | | | trans | -87.1 | 152.6 | 151.6 | -63.9 | 172.6 | 68.6 | 0 | 0 | 107.7 | | |
| 520 | P | 52.7 | Low | 37 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | | | | -152.2 | -175.9 | 70.4 | 38.8 | -16.2 | 0 | 0 | 0 | 118.2 | | |
| 521 | H | 31.1 | Very low | 36.9 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | | | trans | -22.3 | 163.5 | 166.7 | -35.3 | -61 | 0 | 0 | 0 | 119.3 | | |
| 522 | S | 33.6 | Very low | 36.8 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | cis | -151.2 | 141.2 | 27.6 | -79.2 | 0 | 0 | 0 | 0 | 111 | | |
| 523 | L | 37.3 | Very low | 37.3 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | | 61.5 | 92.5 | 76.4 | -63.2 | 179.6 | 0 | 0 | 0 | 117 | | |
| 524 | S | 30.7 | Very low | 37 | Very low | 135 Ų | 135 | 141.1 Ų | 141.1 | 94% | 0.944 | 79% | 0.794 | S | S | * | * | | | trans | 179.3 | 134.5 | 139.3 | -79.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 525 | G | 33.2 | Very low | 37.5 | Very low | 70 Ų | 70 | 139.8 Ų | 139.8 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | cis | 180 | 168.6 | -10.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 526 | L | 32.8 | Very low | 38 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | | | trans | 52.8 | 81.3 | 146.4 | -70.9 | 161.8 | 0 | 0 | 0 | 119.6 | | |
| 527 | Q | 36.3 | Very low | 37.4 | Very low | 203 Ų | 203 | 139.7 Ų | 139.7 | 95% | 0.949 | 78% | 0.781 | S | S | * | * | | | | -145.6 | 106.5 | 118.3 | -136.1 | 118.2 | 129 | 0 | 0 | 111.5 | | |
| 528 | D | 38.8 | Very low | 37.6 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | | | trans | -147 | 158.9 | 173.1 | -156.3 | 44.8 | 0 | 0 | 0 | 103.2 | | |
| 529 | P | 46.8 | Very low | 38 | Very low | 99 Ų | 99 | 137.5 Ų | 137.5 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | | | cis | -149.8 | 179.6 | 28.2 | 44.7 | -24.1 | 0 | 0 | 0 | 119.2 | | |
| 530 | V | 35.7 | Very low | 37.9 | Very low | 91 Ų | 91 | 135.5 Ų | 135.5 | 55% | 0.552 | 77% | 0.765 | S | S | * | * | | | trans | 72.4 | 100.2 | 143.1 | 157.3 | 0 | 0 | 0 | 0 | 117.4 | A532 | V530-A532 HydrophobicContact CG1-CB 3.59Š|
| 531 | I | 41.3 | Very low | 37.1 | Very low | 182 Ų | 182 | 138.6 Ų | 138.6 | 93% | 0.933 | 77% | 0.767 | S | S | * | * | | | trans | -78 | 115.6 | 134.3 | -65.9 | 176 | 0 | 0 | 0 | 107.4 | | |
| 532 | A | 37.3 | Very low | 37.5 | Very low | 63 Ų | 63 | 140.2 Ų | 140.2 | 52% | 0.521 | 77% | 0.772 | S | S | . | * | | | trans | -147.4 | 176.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 106 | V530 | V530-A532 HydrophobicContact CG1-CB 3.59Š|
| 533 | R | 42.7 | Very low | 37.8 | Very low | 200 Ų | 200 | 140.4 Ų | 140.4 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | cis | -159.3 | 129.6 | 18.4 | 34.9 | -164.1 | 72.5 | -177.4 | -0.3 | 109 | | |
| 534 | M | 30.2 | Very low | 37.8 | Very low | 190 Ų | 190 | 138.7 Ų | 138.7 | 94% | 0.936 | 77% | 0.772 | S | S | * | * | | | trans | -124.6 | 54.1 | 153.2 | -82.7 | -169.9 | 66.7 | 0 | 0 | 109.7 | | |
| 535 | S | 39.9 | Very low | 38.3 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 121.3 | 153.6 | -53.2 | 0 | 0 | 0 | 0 | 107 | | |
| 536 | I | 43.4 | Very low | 38.5 | Very low | 161 Ų | 161 | 143.1 Ų | 143.1 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 120.3 | 163.7 | -61.2 | 177.4 | 0 | 0 | 0 | 105.8 | | |
| 537 | C | 35.4 | Very low | 38.4 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 162.8 | 175.1 | -47.8 | 0 | 0 | 0 | 0 | 110 | | |
| 538 | S | 41.5 | Very low | 38.1 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | cis | -143.5 | 153.9 | 21.8 | -67.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 539 | E | 37.3 | Very low | 37.9 | Very low | 182 Ų | 182 | 137.1 Ų | 137.1 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | | | | 62.4 | 149.5 | 63.3 | -170.8 | 162.7 | 47.4 | 0 | 0 | 114.5 | | |
| 540 | D | 37.3 | Very low | 37.3 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 68% | 0.684 | 77% | 0.773 | S | S | * | * | | | trans | 75.1 | 125.3 | -174 | -88.6 | 10.5 | 0 | 0 | 0 | 117.6 | | |
| 541 | K | 35.6 | Very low | 37.1 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | | | cis | -146.8 | 156.8 | -9.9 | -79.4 | -152.6 | -179.9 | -164.7 | 0 | 113.4 | | |
| 542 | K | 39.6 | Very low | 36.8 | Very low | 187 Ų | 187 | 137.9 Ų | 137.9 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | trans | 76.6 | 87.5 | 143.8 | -159.2 | 169.9 | -171.8 | 178.6 | 0 | 118.7 | | |
| 543 | S | 40.1 | Very low | 36.5 | Very low | 109 Ų | 109 | 140.1 Ų | 140.1 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | -53.2 | 152.2 | 135.3 | -37.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 544 | P | 38.8 | Very low | 36.7 | Very low | 119 Ų | 119 | 137 Ų | 137 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | | -122.2 | 140.8 | 100.2 | 34.6 | -32.8 | 0 | 0 | 0 | 112.7 | | |
| 545 | S | 39.5 | Very low | 37 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | trans | -74.5 | 140.1 | 165 | 49.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 546 | E | 39 | Very low | 36.9 | Very low | 197 Ų | 197 | 140.3 Ų | 140.3 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | | | trans | -140.4 | 168 | 143.8 | -76.3 | -147.9 | 111.1 | 0 | 0 | 109.4 | | |
| 547 | C | 29.3 | Very low | 36.2 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | | | trans | -114.7 | 135.2 | -154 | -63.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 548 | S | 30.9 | Very low | 36.2 | Very low | 108 Ų | 108 | 143.7 Ų | 143.7 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | trans | 73.6 | 152.7 | 138.8 | -56.9 | 0 | 0 | 0 | 0 | 121.8 | | |
| 549 | L | 34.5 | Very low | 36 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | trans | 89.6 | 154 | 158.7 | -51.5 | -171.9 | 0 | 0 | 0 | 119.3 | | |
| 550 | I | 33.2 | Very low | 35.7 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 90% | 0.903 | 80% | 0.8 | S | S | * | * | | | trans | 61.1 | 130.8 | -179.1 | 72.6 | 167.5 | 0 | 0 | 0 | 118 | | |
| 551 | A | 33 | Very low | 35.2 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | | | trans | -96.2 | 157.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 552 | S | 33.5 | Very low | 35 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | | | trans | -170.7 | 124 | 144.3 | -93.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 553 | S | 32.8 | Very low | 34.6 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | | | trans | -77.3 | 139.6 | 155.9 | -62.3 | 0 | 0 | 0 | 0 | 108.8 | E555 | S553-E555 PolarHBondContact O-N 2.58Š|
| 554 | P | 46.3 | Very low | 34.2 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | | | trans | -86.1 | 101.9 | 165.9 | 32.2 | -29.3 | 0 | 0 | 0 | 110.2 | | |
| 555 | E | 37.1 | Very low | 33.8 | Very low | 178 Ų | 178 | 144.5 Ų | 144.5 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | | | trans | -105.6 | 122.4 | 157.9 | -74 | -172.1 | 93.8 | 0 | 0 | 108.7 | S553 | S553-E555 PolarHBondContact O-N 2.58Š|
| 556 | E | 37.8 | Very low | 33.4 | Very low | 186 Ų | 186 | 146.5 Ų | 146.5 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | | | trans | 177.1 | 145.4 | 152.3 | -96.5 | -143.5 | 72.8 | 0 | 0 | 108.9 | | |
| 557 | S | 27.9 | Very low | 33 | Very low | 85 Ų | 85 | 144.9 Ų | 144.9 | 59% | 0.594 | 81% | 0.808 | S | S | * | * | | | cis | -160.2 | 141.8 | -20.4 | 38.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 558 | W | 35.5 | Very low | 33 | Very low | 254 Ų | 254 | 146.2 Ų | 146.2 | 96% | 0.962 | 81% | 0.808 | S | S | * | * | | | trans | -101.3 | 123.1 | 166.8 | -76.9 | 101.9 | 0 | 0 | 0 | 108.6 | | |
| 559 | P | 36.1 | Very low | 33 | Very low | 127 Ų | 127 | 152.4 Ų | 152.4 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | | | trans | -75.1 | 157.4 | -174.6 | 30 | -35.3 | 0 | 0 | 0 | 113.1 | | |
| 560 | S | 32.2 | Very low | 32.8 | Very low | 116 Ų | 116 | 150.7 Ų | 150.7 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | | | trans | -125 | 143.2 | -170.2 | 56.2 | 0 | 0 | 0 | 0 | 114 | | |
| 561 | C | 27.3 | Very low | 33.3 | Very low | 123 Ų | 123 | 148 Ų | 148 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | | | trans | -170.2 | 134.1 | 160 | -101.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 562 | Q | 30.6 | Very low | 33.2 | Very low | 183 Ų | 183 | 148.8 Ų | 148.8 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | | | | 81.4 | 76.6 | 52.7 | -67.2 | -157.8 | -1.2 | 0 | 0 | 116.8 | | |
| 563 | K | 30.6 | Very low | 33.4 | Very low | 200 Ų | 200 | 148.8 Ų | 148.8 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | | | | 69.3 | 117.2 | 124.6 | -166.3 | 171.6 | -176.7 | 174.5 | 0 | 121.6 | | |
| 564 | A | 32.2 | Very low | 33.5 | Very low | 78 Ų | 78 | 150.1 Ų | 150.1 | 65% | 0.645 | 80% | 0.803 | S | S | * | * | | | trans | 69.9 | 156.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 565 | Y | 30.6 | Very low | 33.2 | Very low | 194 Ų | 194 | 149.5 Ų | 149.5 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | | | cis | -152.8 | 166.2 | 18.3 | 23.3 | -100.9 | 0 | 0 | 0 | 113.1 | | |
| 566 | N | 30.2 | Very low | 33.1 | Very low | 144 Ų | 144 | 149.3 Ų | 149.3 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | | | trans | -13.6 | 140.4 | 166.7 | -56.5 | -73.7 | 0 | 0 | 0 | 119.5 | | |
| 567 | L | 32.5 | Very low | 32.8 | Very low | 163 Ų | 163 | 148.1 Ų | 148.1 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | | | | -166.8 | 146.5 | 109.3 | -106.3 | 163.6 | 0 | 0 | 0 | 114.9 | | |
| 568 | N | 29 | Very low | 33.3 | Very low | 141 Ų | 141 | 150.3 Ų | 150.3 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | | | trans | -64.7 | 136.7 | 179.2 | -53.9 | -88.5 | 0 | 0 | 0 | 113.8 | | |
| 569 | R | 31.1 | Very low | 33.2 | Very low | 238 Ų | 238 | 145.3 Ų | 145.3 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | | | | 172.4 | 128.3 | 119.7 | -97.5 | 173.5 | -176.2 | -90.2 | 1.8 | 114.1 | | |
| 570 | T | 29.8 | Very low | 32.9 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | -96.1 | -179.3 | 139.5 | 57.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 571 | P | 43.6 | Very low | 32.9 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | cis | -119.9 | 178.4 | -22.6 | 39.3 | -27 | 0 | 0 | 0 | 111.7 | | |
| 572 | S | 30.3 | Very low | 33.7 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | | 179.8 | 148.3 | 115.8 | -168.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 573 | T | 38.9 | Very low | 33.7 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | | | trans | -77.3 | 158.3 | 164.1 | 51.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 574 | V | 33.1 | Very low | 33.7 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | | | trans | -136.4 | 112.5 | 147.9 | 178.3 | 0 | 0 | 0 | 0 | 108 | | |
| 575 | T | 40.1 | Very low | 33.8 | Very low | 122 Ų | 122 | 144.2 Ų | 144.2 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | -85.1 | 145.8 | 165.7 | 41.6 | 0 | 0 | 0 | 0 | 109.8 | N577 | T575-N577 PolarHBondContact O-N 2.83Š|
| 576 | L | 35 | Very low | 33.9 | Very low | 174 Ų | 174 | 138.6 Ų | 138.6 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | | | trans | -87.8 | 101.7 | 169 | -71.5 | 177.9 | 0 | 0 | 0 | 110.3 | | |
| 577 | N | 32.5 | Very low | 33.8 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | | | trans | -130.8 | 141.3 | 147.9 | -169.1 | 9.9 | 0 | 0 | 0 | 107.6 | T575 | T575-N577 PolarHBondContact O-N 2.83Š|
| 578 | N | 37.8 | Very low | 34 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | trans | -136.2 | 119 | -154.2 | -175 | 6.5 | 0 | 0 | 0 | 112.4 | | |
| 579 | N | 33.3 | Very low | 34 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | | | trans | -162.4 | 109.2 | 152.6 | -114.3 | -55.7 | 0 | 0 | 0 | 114.2 | | |
| 580 | T | 30.7 | Very low | 33.9 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | | | | 64.8 | 92.2 | 129.3 | -50.9 | 0 | 0 | 0 | 0 | 121 | | |
| 581 | A | 31 | Very low | 34 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | | | | 87.9 | 151.3 | 128.5 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 582 | P | 43.9 | Very low | 33.3 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | | | trans | -133.4 | -177.7 | -155.7 | 42.4 | -23.9 | 0 | 0 | 0 | 116.1 | | |
| 583 | T | 30.3 | Very low | 33.6 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | trans | -157.4 | 114.2 | 161.4 | -81.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 584 | N | 32 | Very low | 33.3 | Very low | 136 Ų | 136 | 143.2 Ų | 143.2 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | 46.3 | 147.3 | 145.1 | -66.8 | -78 | 0 | 0 | 0 | 121.3 | | |
| 585 | R | 33.8 | Very low | 33 | Very low | 220 Ų | 220 | 140.5 Ų | 140.5 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | | | cis | -164.7 | 155.1 | 11.1 | -134.4 | 174.3 | -176.4 | -179.8 | -0.8 | 112.7 | | |
| 586 | A | 32.5 | Very low | 32.6 | Very low | 75 Ų | 75 | 140.9 Ų | 140.9 | 62% | 0.62 | 77% | 0.772 | S | S | * | * | | | trans | 32 | 148.4 | 134.5 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 587 | N | 28.2 | Very low | 32.3 | Very low | 148 Ų | 148 | 143 Ų | 143 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | cis | -151.8 | 174.8 | 7.7 | -95.6 | -22.4 | 0 | 0 | 0 | 107.6 | | |
| 588 | Q | 36.8 | Very low | 32.1 | Very low | 179 Ų | 179 | 143.4 Ų | 143.4 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | | | cis | -145.2 | 146.6 | 36.4 | -37.5 | -165.6 | 11.5 | 0 | 0 | 109.4 | | |
| 589 | N | 29.3 | Very low | 31.7 | Very low | 135 Ų | 135 | 143.2 Ų | 143.2 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | | 62.2 | 131.3 | 76.3 | -114.8 | -127.7 | 0 | 0 | 0 | 113.2 | | |
| 590 | F | 28.1 | Very low | 31.4 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | | | cis | -152.2 | -180 | 12.9 | -169.7 | -108.7 | 0 | 0 | 0 | 112.4 | | |
| 591 | D | 32.7 | Very low | 31.5 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 63% | 0.631 | 77% | 0.773 | S | S | * | * | | | trans | -63 | -179.3 | -172.6 | -61.3 | -99.4 | 0 | 0 | 0 | 115.8 | | |
| 592 | E | 29.1 | Very low | 31.4 | Very low | 175 Ų | 175 | 145.9 Ų | 145.9 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | cis | -157.4 | 168.1 | 29.4 | -164 | 167.7 | 102.6 | 0 | 0 | 116.2 | | |
| 593 | I | 36.7 | Very low | 30.7 | Very low | 153 Ų | 153 | 147 Ų | 147 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | trans | -78.3 | -175 | -158.9 | -146.2 | 165 | 0 | 0 | 0 | 118.5 | | |
| 594 | E | 31.5 | Very low | 30.7 | Very low | 188 Ų | 188 | 149.2 Ų | 149.2 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | | | trans | -75.8 | 156.6 | 176.2 | -58.5 | 176.4 | 99.2 | 0 | 0 | 115 | | |
| 595 | G | 28 | Very low | 30.6 | Very low | 80 Ų | 80 | 153.9 Ų | 153.9 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | -158.3 | 98.7 | 179 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 596 | V | 31 | Very low | 30.9 | Very low | 131 Ų | 131 | 149.6 Ų | 149.6 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | | | trans | -58.4 | 140.7 | 179.2 | -169.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 597 | R | 29.8 | Very low | 30.7 | Very low | 219 Ų | 219 | 149.4 Ų | 149.4 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | | | | 161.7 | 118.2 | 126.4 | -88 | 172.8 | -62.3 | 171.2 | 5.4 | 117.4 | | |
| 598 | E | 28.4 | Very low | 31.2 | Very low | 167 Ų | 167 | 149 Ų | 149 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | | | | 51.7 | 142.8 | 113 | -126.1 | -179.6 | 162.8 | 0 | 0 | 125 | | |
| 599 | T | 28.5 | Very low | 30.9 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | trans | 78.5 | 174 | 161.1 | 73.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 600 | S | 28 | Very low | 31.5 | Very low | 107 Ų | 107 | 144.1 Ų | 144.1 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | trans | -150.5 | 155.4 | -148.7 | -43.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 601 | Q | 32.6 | Very low | 31.7 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | | | trans | 79.3 | 150.5 | 153.7 | -58 | -170 | 12.9 | 0 | 0 | 123 | | |
| 602 | V | 27.9 | Very low | 32.2 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | | | trans | 81.7 | 137.1 | 155.9 | -143.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 603 | I | 29.9 | Very low | 32.3 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | | | trans | 124.4 | 97.7 | 145.2 | -60.4 | -177.3 | 0 | 0 | 0 | 117.8 | | |
| 604 | L | 29.3 | Very low | 31.9 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | | | trans | 61.1 | 149.4 | 141.1 | -59.8 | 176 | 0 | 0 | 0 | 124.7 | | |
| 605 | R | 31.8 | Very low | 32.4 | Very low | 234 Ų | 234 | 135.4 Ų | 135.4 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | -99.1 | 165.5 | 167 | -77.6 | 178.8 | 166.1 | 166.3 | -5.5 | 111.1 | | |
| 606 | P | 39.6 | Very low | 32.6 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | | | | -127.7 | 176.7 | 103.8 | 2.4 | 19.6 | 0 | 0 | 0 | 115.2 | | |
| 607 | G | 27.2 | Very low | 33 | Very low | 70 Ų | 70 | 140.9 Ų | 140.9 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | | | trans | -92.9 | -164.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 608 | P | 39.6 | Very low | 33.4 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | | | | -136.4 | -165.8 | 51.5 | 40.7 | -23.6 | 0 | 0 | 0 | 115.9 | | |
| 609 | S | 30.1 | Very low | 33.5 | Very low | 90 Ų | 90 | 137 Ų | 137 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | | | trans | -114.8 | 169.8 | -177 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | N611 | S609-N611 PolarHBondContact OG-N 3.38Š|
| 610 | P | 41.7 | Very low | 33.8 | Very low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | | | | -141.4 | 144.3 | 103.6 | 37.4 | -24.8 | 0 | 0 | 0 | 115.9 | | |
| 611 | N | 32.6 | Very low | 34.3 | Very low | 146 Ų | 146 | 143 Ų | 143 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | | | trans | -105.9 | 176.9 | 153.5 | -71 | -24.5 | 0 | 0 | 0 | 108.5 | S609 | S609-N611 PolarHBondContact OG-N 3.38Š|
| 612 | P | 43.5 | Very low | 34.2 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | | | | -152.3 | 159.4 | 95.6 | 39.4 | -22.8 | 0 | 0 | 0 | 117.2 | | |
| 613 | T | 30.8 | Very low | 34.4 | Very low | 135 Ų | 135 | 142.4 Ų | 142.4 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | | | trans | 64.4 | 146.7 | 150 | 42.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 614 | A | 28.9 | Very low | 34.5 | Very low | 88 Ų | 88 | 139.1 Ų | 139.1 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | cis | -151 | 160.8 | -8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 615 | V | 41.1 | Very low | 34.8 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | | | trans | -112.5 | 132.8 | 169 | 174.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 616 | Q | 33.5 | Very low | 35 | Very low | 185 Ų | 185 | 137.8 Ų | 137.8 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | -138.9 | 145.1 | 162.8 | -73 | -167.7 | -20.3 | 0 | 0 | 110.4 | | |
| 617 | N | 38.2 | Very low | 34.6 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | | | trans | -102.2 | -152.1 | 170.1 | -90.1 | -71.7 | 0 | 0 | 0 | 108.9 | | |
| 618 | E | 39 | Very low | 34.7 | Very low | 155 Ų | 155 | 144 Ų | 144 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | | | trans | 79 | 90 | 174 | -49.1 | -52.1 | 136.2 | 0 | 0 | 116.6 | | |
| 619 | N | 29 | Very low | 34.5 | Very low | 149 Ų | 149 | 145.3 Ų | 145.3 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | | -174.6 | 160.8 | 97.4 | -105.5 | -83.7 | 0 | 0 | 0 | 115.1 | | |
| 620 | L | 34.9 | Very low | 34.5 | Very low | 149 Ų | 149 | 151.7 Ų | 151.7 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | | | trans | -81.2 | 148.8 | -176.9 | -52.9 | 99.1 | 0 | 0 | 0 | 113.4 | | |
| 621 | K | 39.2 | Very low | 34.1 | Very low | 213 Ų | 213 | 150.7 Ų | 150.7 | 93% | 0.926 | 79% | 0.787 | S | S | * | * | | | | -159.8 | 132.4 | 117.2 | -110 | 159 | -173.4 | 171.9 | 0 | 113.6 | | |
| 622 | S | 30.1 | Very low | 34.1 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | -89.7 | 159.7 | 172.5 | 52.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 623 | M | 32.4 | Very low | 33.4 | Very low | 185 Ų | 185 | 153.2 Ų | 153.2 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | | | trans | -162.8 | 147.7 | 136.4 | -96.4 | -75.5 | -151.9 | 0 | 0 | 108 | | |
| 624 | A | 32 | Very low | 33.6 | Very low | 73 Ų | 73 | 152 Ų | 152 | 60% | 0.603 | 78% | 0.78 | S | S | * | * | | | trans | -107.2 | 174.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 625 | H | 34.8 | Very low | 34 | Very low | 178 Ų | 178 | 158.4 Ų | 158.4 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | | -163.4 | 171.3 | 74.8 | -92.4 | -80.2 | 0 | 0 | 0 | 114.7 | | |
| 626 | K | 36.1 | Very low | 34 | Very low | 196 Ų | 196 | 159.6 Ų | 159.6 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | | | trans | -71.5 | 175.4 | -178.6 | -53.9 | -178 | 175.2 | -178.1 | 0 | 111.9 | | |
| 627 | R | 32.5 | Very low | 33.8 | Very low | 230 Ų | 230 | 156.9 Ų | 156.9 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | | | | 174.7 | 133 | 66.1 | 167.1 | 179.2 | -95.2 | 150.8 | -8.8 | 114.9 | | |
| 628 | S | 27.7 | Very low | 33.6 | Very low | 101 Ų | 101 | 158.4 Ų | 158.4 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | trans | 63.2 | 137.6 | 146.1 | -143.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 629 | Q | 35.6 | Very low | 33.2 | Very low | 168 Ų | 168 | 157 Ų | 157 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | | 52.7 | 129.6 | 56 | -71.9 | -115 | 4.5 | 0 | 0 | 112.1 | | |
| 630 | R | 31.3 | Very low | 33.5 | Very low | 225 Ų | 225 | 154.2 Ų | 154.2 | 85% | 0.849 | 78% | 0.783 | S | S | * | * | | | cis | -166 | 168.6 | 42.4 | -172.3 | -175.3 | 177.8 | 169.5 | 0.9 | 110.1 | | |
| 631 | S | 32.7 | Very low | 33.4 | Very low | 100 Ų | 100 | 151.7 Ų | 151.7 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | | | trans | -74.1 | 161.4 | 168 | 176.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 632 | S | 32.4 | Very low | 33.1 | Very low | 92 Ų | 92 | 149.1 Ų | 149.1 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | | | trans | 120.2 | 156.1 | 132.6 | 76.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 633 | Y | 28.3 | Very low | 33.3 | Very low | 217 Ų | 217 | 150.3 Ų | 150.3 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | | | trans | 95.6 | 153 | 161.2 | -99.7 | -88.5 | 0 | 0 | 0 | 122 | | |
| 634 | T | 36.6 | Very low | 33.3 | Very low | 110 Ų | 110 | 149.8 Ų | 149.8 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | | | trans | -122.3 | 148.4 | -162.3 | 52.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 635 | R | 36.1 | Very low | 33.2 | Very low | 222 Ų | 222 | 150.5 Ų | 150.5 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | | | | 166.5 | 145.1 | 125.1 | -93 | 174.7 | -171.8 | -111.6 | 3 | 113.4 | | |
| 636 | L | 42.5 | Very low | 33 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 82% | 0.817 | 77% | 0.765 | S | S | * | * | | | trans | 9.5 | 132.1 | 139.5 | -58.1 | 166.6 | 0 | 0 | 0 | 119.4 | | |
| 637 | S | 28.8 | Very low | 32.7 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | | | trans | -145.8 | 169.9 | 136.8 | -162.7 | 0 | 0 | 0 | 0 | 110 | | |
| 638 | K | 33.3 | Very low | 32.8 | Very low | 171 Ų | 171 | 136.5 Ų | 136.5 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | trans | -143 | 157.9 | -165.9 | -166 | -169 | 174.8 | -121 | 0 | 112.6 | | |
| 639 | D | 31.6 | Very low | 33.1 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | | | trans | 86.4 | 152.3 | 155.7 | -86.9 | -46.9 | 0 | 0 | 0 | 121.1 | | |
| 640 | A | 34 | Very low | 33.1 | Very low | 90 Ų | 90 | 135.9 Ų | 135.9 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | | | trans | 64 | 140 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 641 | S | 33.2 | Very low | 33.3 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | cis | -170.2 | 163.9 | -5.6 | -97.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 642 | E | 32.3 | Very low | 33.4 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | | | cis | 178.5 | -166.6 | -10.9 | -173.7 | 165.6 | 158.1 | 0 | 0 | 108.8 | | |
| 643 | L | 34.4 | Very low | 33.5 | Very low | 133 Ų | 133 | 137.1 Ų | 137.1 | 70% | 0.696 | 78% | 0.779 | S | S | * | * | | | trans | 81.2 | 115.9 | 165.6 | -49.4 | 178.2 | 0 | 0 | 0 | 120.1 | | |
| 644 | H | 32.2 | Very low | 33.8 | Very low | 175 Ų | 175 | 130 Ų | 130 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | | | trans | 47 | 147.7 | 135.7 | -53.2 | -50.3 | 0 | 0 | 0 | 123.2 | | |
| 645 | A | 30.1 | Very low | 34 | Very low | 88 Ų | 88 | 131.2 Ų | 131.2 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | cis | -173.4 | 162.1 | -15.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 646 | A | 30.5 | Very low | 34.4 | Very low | 94 Ų | 94 | 128.2 Ų | 128.2 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | | | trans | 63.6 | 139.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 647 | S | 29.8 | Very low | 35 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | cis | 76 | 131.1 | 41.8 | -148.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 648 | S | 35.6 | Very low | 36.1 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | | | cis | -147.8 | -178.5 | 18.7 | -51.2 | 0 | 0 | 0 | 0 | 114 | | |
| 649 | D | 34.1 | Very low | 36.9 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | | | trans | -71.4 | 164.6 | 178.4 | -43.7 | -97.4 | 0 | 0 | 0 | 116.7 | | |
| 650 | S | 35.1 | Very low | 37.8 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | trans | 169.7 | 107.7 | 139.3 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 651 | T | 36.8 | Very low | 38.3 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | | | | 46.8 | 125.7 | 85.2 | 62 | 0 | 0 | 0 | 0 | 116.3 | | |
| 652 | G | 33.3 | Very low | 38.6 | Very low | 81 Ų | 81 | 141.4 Ų | 141.4 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | 174.9 | 120.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 653 | F | 34 | Very low | 38.9 | Very low | 226 Ų | 226 | 140.5 Ų | 140.5 | 99% | 0.991 | 81% | 0.806 | S | S | * | * | | | trans | -82.2 | 169.8 | 168.7 | -89.2 | -116.8 | 0 | 0 | 0 | 111 | | |
| 654 | G | 34.9 | Very low | 39.2 | Very low | 67 Ų | 67 | 140.9 Ų | 140.9 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | | | trans | 150.9 | 135.5 | 132.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 655 | E | 40.5 | Very low | 39.6 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 64% | 0.636 | 81% | 0.813 | S | S | * | * | | | trans | 71.8 | 110.9 | 146.4 | -64.6 | -166 | 130.8 | 0 | 0 | 122.2 | R657 | E655-R657 VanDerWaalsContact CD-NH1 3.28Å; E655-R657 IonicContact OE1-NH1 3.2Å; E655-R657 IonicContact OE2-CZ 2.79Å; E655-R657 IonicContact OE2-NH1 2.82Å; E655-R657 PolarHBondContact OE2-NH1 2.67Å; E655-R657 IonicContact OE2-NH2 2.73Å; E655-R657 PolarHBondContact OE2-NH2 2.93Å |
| 656 | E | 46.3 | Very low | 40.2 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 74% | 0.738 | 82% | 0.818 | S | S | * | * | | | trans | -39.3 | 155.3 | 143.5 | 55.1 | -99.3 | 72.1 | 0 | 0 | 116.5 | | |
| 657 | R | 53.2 | Low | 40.8 | Very low | 186 Ų | 186 | 145.3 Ų | 145.3 | 70% | 0.702 | 82% | 0.821 | S | S | * | * | | | trans | -145.4 | 84.2 | 167.6 | -54.8 | -69.9 | 171.5 | -133.4 | -3.4 | 110.1 | E655 | E655-R657 VanDerWaalsContact CD-NH1 3.28Å; E655-R657 IonicContact OE1-NH1 3.2Å; E655-R657 IonicContact OE2-CZ 2.79Å; E655-R657 IonicContact OE2-NH1 2.82Å; E655-R657 PolarHBondContact OE2-NH1 2.67Å; E655-R657 IonicContact OE2-NH2 2.73Å; E655-R657 PolarHBondContact OE2-NH2 2.93Å |
| 658 | E | 53.7 | Low | 41.6 | Very low | 189 Ų | 189 | 147.8 Ų | 147.8 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | | | trans | -79.5 | 139.6 | 162.8 | -63.7 | -166.5 | 146.5 | 0 | 0 | 109.7 | | |
| 659 | S | 50.1 | Low | 42.1 | Very low | 121 Ų | 121 | 151 Ų | 151 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | | | trans | -155.6 | 100.3 | 171.2 | -79 | 0 | 0 | 0 | 0 | 112.4 | | |
| 660 | I | 49.8 | Very low | 42.8 | Very low | 169 Ų | 169 | 150.5 Ų | 150.5 | 87% | 0.867 | 83% | 0.83 | S | S | * | * | | | trans | -27.6 | 136.9 | 162.8 | -60.6 | 154.8 | 0 | 0 | 0 | 114.8 | | |
| 661 | L | 45.4 | Very low | 43.5 | Very low | 238 Ų | 238 | 155.2 Ų | 155.2 | 100% | 1.246 | 84% | 0.843 | S | S | * | * | | | trans | -150.9 | 0 | 139.8 | -115.6 | 171.5 | 0 | 0 | 0 | 110.6 | | |