| 1 | M | 47.7 | Very low | 46.1 | Very low | 219 Ų | 219 | 133.4 Ų | 133.4 | 100% | 1.079 | 79% | 0.793 | S | S | * | * | | | | 0 | 116.2 | 0 | -65.5 | -47.9 | -169.5 | 0 | 0 | 106.4 | | |
| 2 | D | 54.1 | Low | 45.2 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | trans | 58.1 | 99.5 | 154 | -38.8 | -32.5 | 0 | 0 | 0 | 115.6 | | |
| 3 | I | 42.1 | Very low | 45 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 72% | 0.723 | 79% | 0.79 | S | S | * | * | | | cis | 64.7 | 128.9 | 42.8 | -33.8 | 155.3 | 0 | 0 | 0 | 108.5 | | |
| 4 | V | 47.7 | Very low | 44.5 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | cis | -143.8 | 160.4 | 45.1 | -172.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 5 | D | 43.4 | Very low | 44.1 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | | | trans | -61.3 | 163.9 | 178.8 | -43.4 | -93.6 | 0 | 0 | 0 | 117.3 | | |
| 6 | S | 53 | Low | 43.6 | Very low | 126 Ų | 126 | 133 Ų | 133 | 88% | 0.881 | 79% | 0.79 | S | S | * | * | | | | -156.3 | 106.6 | 121.7 | -10.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 7 | V | 38.2 | Very low | 43.2 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | | | trans | -110.1 | 139.3 | 160 | 171.7 | 0 | 0 | 0 | 0 | 107.2 | V9 | V7-V9 HydrophobicContact CG1-CG2 4.04Š|
| 8 | S | 51 | Low | 43.2 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | -119.7 | 118.1 | 168.1 | -172.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 9 | V | 41.1 | Very low | 43.3 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | | | trans | -127.1 | 137.8 | 168.9 | 170.3 | 0 | 0 | 0 | 0 | 106.9 | V7 | V7-V9 HydrophobicContact CG1-CG2 4.04Š|
| 10 | G | 50.5 | Low | 43.4 | Very low | 63 Ų | 63 | 136.2 Ų | 136.2 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | | | trans | 167.3 | 164.7 | 158.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 11 | D | 38.4 | Very low | 44.1 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | | | cis | -173.4 | 152.9 | -35.3 | -121 | -22.1 | 0 | 0 | 0 | 107.7 | | |
| 12 | V | 35.6 | Very low | 44 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | | | trans | 45.3 | 111.7 | 144.8 | -178.1 | 0 | 0 | 0 | 0 | 119 | | |
| 13 | L | 42.2 | Very low | 44.4 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | | -169.8 | 153.6 | 109.6 | -99.7 | -179.9 | 0 | 0 | 0 | 112.8 | | |
| 14 | L | 38.5 | Very low | 44.8 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | trans | -102.9 | 151.2 | 169.9 | -67 | 88.8 | 0 | 0 | 0 | 110.7 | | |
| 15 | C | 37.4 | Very low | 45.4 | Very low | 123 Ų | 123 | 136 Ų | 136 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | | | trans | 159.7 | 163.5 | 146.6 | -93.2 | 0 | 0 | 0 | 0 | 110 | | |
| 16 | S | 36.5 | Very low | 45.9 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | | | cis | 172 | 140.9 | -34.9 | -95.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 17 | V | 36.4 | Very low | 45.7 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | | | trans | 65.1 | 124.4 | 159.2 | 178.2 | 0 | 0 | 0 | 0 | 119.3 | | |
| 18 | K | 44.5 | Very low | 46.5 | Very low | 164 Ų | 164 | 136.7 Ų | 136.7 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | | | | 165.9 | 114.5 | 114.8 | -154.5 | 152.8 | 175.8 | 64.6 | 0 | 108.7 | | |
| 19 | E | 45.2 | Very low | 46.1 | Very low | 127 Ų | 127 | 138 Ų | 138 | 59% | 0.593 | 77% | 0.766 | S | S | * | * | | | | 51.1 | 139.6 | 92.4 | -52.7 | 162.7 | 172 | 0 | 0 | 113 | | |
| 20 | E | 45 | Very low | 46.4 | Very low | 180 Ų | 180 | 144 Ų | 144 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | | | cis | -164.3 | 169 | 15.3 | -133.2 | 159 | -146.5 | 0 | 0 | 110 | | |
| 21 | G | 57.6 | Low | 46 | Very low | 74 Ų | 74 | 146.8 Ų | 146.8 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | | | trans | 144.2 | 118.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 22 | E | 45.9 | Very low | 46.2 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | | | trans | -119 | -149.3 | -171.1 | -60.7 | 179.4 | 118.9 | 0 | 0 | 112.5 | | |
| 23 | D | 62.3 | Low | 46.5 | Very low | 157 Ų | 157 | 150.9 Ų | 150.9 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | | | trans | 77.8 | 93.7 | -173.8 | -51.9 | -23.1 | 0 | 0 | 0 | 114.2 | | |
| 24 | E | 51.2 | Low | 46.5 | Very low | 177 Ų | 177 | 148.8 Ų | 148.8 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | | | | 68.4 | 117.8 | 55.9 | -65.4 | -89.1 | 84.7 | 0 | 0 | 115.2 | | |
| 25 | D | 59.6 | Low | 46.7 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | | | | 177 | 124.2 | 127.9 | -98.2 | -16 | 0 | 0 | 0 | 114.7 | | |
| 26 | D | 54.1 | Low | 46.8 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | 34.6 | 103.2 | 157.1 | -97.2 | -43.4 | 0 | 0 | 0 | 125.2 | | |
| 27 | M | 48.3 | Very low | 47 | Very low | 148 Ų | 148 | 151.1 Ų | 151.1 | 73% | 0.729 | 79% | 0.793 | S | S | * | * | | | | 14.3 | 171.4 | 103.8 | -77.2 | -73.2 | -84.7 | 0 | 0 | 121.8 | | |
| 28 | P | 54.6 | Low | 47.7 | Very low | 110 Ų | 110 | 151.5 Ų | 151.5 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | | | cis | -131.3 | 166.5 | 1.4 | 37.5 | -19.9 | 0 | 0 | 0 | 117.8 | | |
| 29 | E | 42.7 | Very low | 47.5 | Very low | 151 Ų | 151 | 148.3 Ų | 148.3 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | trans | -70.9 | 166.6 | 164.3 | -61.2 | -178.3 | 101.8 | 0 | 0 | 114.4 | | |
| 30 | R | 47.8 | Very low | 47.4 | Very low | 254 Ų | 254 | 147.5 Ų | 147.5 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | | | trans | -139.8 | 121 | 149.3 | -85.1 | -162.2 | 170.9 | -163.7 | -2.5 | 113.3 | | |
| 31 | T | 42.6 | Very low | 47.3 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | | | trans | -124.3 | 118.6 | -172.9 | -56.4 | 0 | 0 | 0 | 0 | 111 | | |
| 32 | A | 42.8 | Very low | 46.7 | Very low | 95 Ų | 95 | 146.5 Ų | 146.5 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -156.7 | 99.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 33 | R | 42 | Very low | 46.7 | Very low | 244 Ų | 244 | 145.1 Ų | 145.1 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | | | trans | 29 | 140.5 | 140.2 | -62.4 | -178.8 | 174.4 | -176.7 | -2.4 | 122.7 | | |
| 34 | P | 40.9 | Very low | 46 | Very low | 122 Ų | 122 | 146.5 Ų | 146.5 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | | | trans | -93.2 | 158.7 | 171.1 | 38.5 | -35.2 | 0 | 0 | 0 | 114.3 | | |
| 35 | L | 43.3 | Very low | 46 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | | | trans | -149.3 | 126.2 | 167.3 | -85.8 | 176.7 | 0 | 0 | 0 | 114.1 | | |
| 36 | S | 40.1 | Very low | 45.3 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | 58.1 | 141.6 | 136.8 | -56.2 | 0 | 0 | 0 | 0 | 124.8 | | |
| 37 | L | 41.1 | Very low | 44.7 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | | | trans | -68.4 | 171.5 | 176.5 | -59.8 | 162.6 | 0 | 0 | 0 | 114.6 | | |
| 38 | P | 50.9 | Low | 44.4 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | | | | -130 | -178 | 108.7 | 39 | -32.8 | 0 | 0 | 0 | 114.7 | | |
| 39 | S | 40.1 | Very low | 43.5 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | | | trans | -132.3 | 176.4 | -157.8 | -47.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 40 | S | 42.6 | Very low | 43.4 | Very low | 110 Ų | 110 | 144 Ų | 144 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | 77.6 | 157.4 | 168.5 | 78.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 41 | L | 42.9 | Very low | 43.5 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | cis | -154.7 | 163.3 | 22.6 | -165.6 | 81.5 | 0 | 0 | 0 | 112.5 | | |
| 42 | A | 45.9 | Very low | 43.7 | Very low | 74 Ų | 74 | 137.4 Ų | 137.4 | 61% | 0.612 | 79% | 0.791 | S | S | * | * | | | trans | 78.2 | 79.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 43 | D | 45.5 | Very low | 44.3 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | | | | 51.4 | 160.4 | 103.1 | -54.6 | -55.6 | 0 | 0 | 0 | 125.3 | | |
| 44 | E | 47.9 | Very low | 44.9 | Very low | 185 Ų | 185 | 132.9 Ų | 132.9 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | trans | 72.7 | 149.5 | 173.8 | -66.9 | -158.8 | 121.1 | 0 | 0 | 120.8 | | |
| 45 | E | 50.8 | Low | 45.1 | Very low | 172 Ų | 172 | 133.2 Ų | 133.2 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | | -163.8 | 177.7 | -68 | -108.6 | -139.6 | 142.7 | 0 | 0 | 110.3 | | |
| 46 | V | 45.3 | Very low | 45 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | | | trans | 56.9 | 97.6 | 168.9 | -164 | 0 | 0 | 0 | 0 | 116.8 | | |
| 47 | N | 41.4 | Very low | 45 | Very low | 142 Ų | 142 | 134 Ų | 134 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | | | | 70.2 | 115.1 | 56.3 | -168.1 | 22.7 | 0 | 0 | 0 | 116.5 | | |
| 48 | V | 40.7 | Very low | 45 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | | | | 179.3 | 143.9 | 125.5 | 148.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 49 | S | 36.7 | Very low | 44.4 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | | | trans | -132.1 | 146.8 | -178.4 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 50 | L | 40.6 | Very low | 44.4 | Very low | 169 Ų | 169 | 133 Ų | 133 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | | | trans | -168.4 | 164.7 | 152.8 | -107.8 | 156.8 | 0 | 0 | 0 | 113 | | |
| 51 | V | 49.2 | Very low | 44.1 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 74% | 0.739 | 81% | 0.81 | S | S | * | * | | | trans | -119.9 | 142.5 | -162.1 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 52 | P | 47.8 | Very low | 43.9 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | | | trans | -96.4 | 150.1 | -178.7 | 36.5 | -35 | 0 | 0 | 0 | 115 | | |
| 53 | P | 53.9 | Low | 43.8 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | | | trans | -103.5 | 166.1 | 166.1 | 37.4 | -31.4 | 0 | 0 | 0 | 114.3 | | |
| 54 | P | 55.5 | Low | 43.5 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | | | trans | -99.1 | -178.9 | -170.6 | 40 | -33.6 | 0 | 0 | 0 | 114.7 | | |
| 55 | P | 45.5 | Very low | 43.2 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | | | trans | -111.1 | 177.7 | -140.3 | 41.5 | -36.4 | 0 | 0 | 0 | 117.6 | | |
| 56 | A | 41.3 | Very low | 42.7 | Very low | 100 Ų | 100 | 129 Ų | 129 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | | | trans | -109 | 174 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 57 | Q | 40 | Very low | 42.3 | Very low | 197 Ų | 197 | 128.4 Ų | 128.4 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | | | trans | -87.5 | 156.3 | -167.4 | -59.5 | 168.7 | 2.1 | 0 | 0 | 113.9 | | |
| 58 | T | 39.5 | Very low | 42.4 | Very low | 147 Ų | 147 | 126 Ų | 126 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | | | trans | -115.2 | 134.7 | 162 | 38.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 59 | A | 38.6 | Very low | 42.4 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 88% | 0.884 | 80% | 0.8 | S | S | * | * | | | trans | -98.9 | 153.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 60 | A | 41 | Very low | 42.7 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | | | trans | -125.1 | 135.6 | 171 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 61 | A | 35.4 | Very low | 42.4 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -108.2 | 139.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 62 | S | 39.8 | Very low | 42.6 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | trans | -175.7 | 148.7 | 170.5 | -80.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 63 | V | 42.6 | Very low | 42.2 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 72% | 0.721 | 81% | 0.812 | S | S | * | * | | | cis | -154 | -175.4 | -9.4 | 113.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 64 | E | 40.3 | Very low | 41.8 | Very low | 170 Ų | 170 | 133.6 Ų | 133.6 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | | | trans | -53.6 | 173.6 | 175.8 | -46.5 | 143 | 101.6 | 0 | 0 | 114.1 | | |
| 65 | A | 41.4 | Very low | 41 | Very low | 78 Ų | 78 | 133.4 Ų | 133.4 | 65% | 0.645 | 82% | 0.818 | S | S | * | * | | | cis | -162.4 | 160.4 | 15.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 66 | Q | 40.6 | Very low | 40.9 | Very low | 187 Ų | 187 | 133.3 Ų | 133.3 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | | | trans | 52 | 148.3 | 139.6 | -67.5 | 179.9 | 1.2 | 0 | 0 | 124.8 | | |
| 67 | C | 37.3 | Very low | 40.8 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 75% | 0.75 | 82% | 0.816 | S | S | * | * | | | trans | 105.5 | 89.8 | 137.9 | -131.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 68 | S | 41.5 | Very low | 41.1 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 64% | 0.643 | 81% | 0.81 | S | S | * | * | | | | 75.4 | 128.4 | 121.6 | -60.3 | 0 | 0 | 0 | 0 | 124.3 | | |
| 69 | Q | 42.1 | Very low | 41.2 | Very low | 175 Ų | 175 | 130.7 Ų | 130.7 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | 62.4 | 109.2 | 135.2 | -65.8 | -177.3 | -12.3 | 0 | 0 | 121.1 | | |
| 70 | Q | 42.2 | Very low | 41.3 | Very low | 181 Ų | 181 | 132 Ų | 132 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | | 176.7 | 129.4 | 98.4 | -95.3 | 174.3 | 11.3 | 0 | 0 | 112.6 | | |
| 71 | D | 35.3 | Very low | 41.4 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -80.8 | 162.9 | 153.3 | -67.8 | -65.6 | 0 | 0 | 0 | 109.5 | | |
| 72 | P | 52.8 | Low | 41.7 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | | | | -141.9 | 150 | 107 | 37.7 | -26.1 | 0 | 0 | 0 | 115.4 | | |
| 73 | L | 39.7 | Very low | 41.8 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | trans | -67.5 | 152.7 | 162.1 | -65.4 | 166.2 | 0 | 0 | 0 | 110.8 | | |
| 74 | S | 45 | Very low | 41.9 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | | | trans | -145.6 | 108.4 | 162.2 | -71.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 75 | S | 38.3 | Very low | 42 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | | | trans | -127.3 | 137 | 169.2 | 52.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 76 | S | 43.6 | Very low | 42.3 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 88% | 0.881 | 79% | 0.785 | S | S | * | * | | | trans | -146.3 | 118.1 | -178.5 | 59 | 0 | 0 | 0 | 0 | 111.6 | | |
| 77 | S | 39.9 | Very low | 42.3 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -119.9 | 134.9 | 172.3 | 52.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 78 | L | 45.6 | Very low | 43 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | trans | -149.3 | 134.5 | 154.1 | -83.8 | 113.5 | 0 | 0 | 0 | 105.5 | | |
| 79 | D | 42.3 | Very low | 43.1 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 69% | 0.69 | 79% | 0.788 | S | S | * | * | | | | 70.3 | 139.1 | 65 | -47.2 | -35.5 | 0 | 0 | 0 | 111 | | |
| 80 | D | 40.8 | Very low | 43.3 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | | | cis | -162.9 | 172.5 | 9.5 | -145.7 | -19 | 0 | 0 | 0 | 114 | | |
| 81 | L | 42.4 | Very low | 43.4 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 72% | 0.723 | 79% | 0.79 | S | S | * | * | | | trans | 69.1 | 147.1 | 149.9 | -67.7 | 174.4 | 0 | 0 | 0 | 125.4 | | |
| 82 | T | 43.3 | Very low | 44.4 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | 78.1 | 151.4 | 159.3 | 69.8 | 0 | 0 | 0 | 0 | 120.9 | | |
| 83 | S | 41.1 | Very low | 44.3 | Very low | 89 Ų | 89 | 129.5 Ų | 129.5 | 62% | 0.622 | 79% | 0.786 | S | S | * | * | | | | 178.9 | 149.1 | -62.2 | 48.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 84 | T | 44.8 | Very low | 44.6 | Very low | 139 Ų | 139 | 126.9 Ų | 126.9 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | 63.6 | 165.2 | 168.5 | 64.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 85 | D | 41.4 | Very low | 45 | Very low | 147 Ų | 147 | 126.2 Ų | 126.2 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | cis | -171.1 | -179.6 | -41.2 | -166.5 | 1.4 | 0 | 0 | 0 | 107.1 | | |
| 86 | S | 48.3 | Very low | 45.2 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | | | trans | 99.7 | 127.9 | 162.2 | -50.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 87 | K | 40.4 | Very low | 45.2 | Very low | 185 Ų | 185 | 125.1 Ų | 125.1 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | -119.8 | 137.2 | 178.7 | 144 | -169.3 | 174.4 | -172.6 | 0 | 108.6 | | |
| 88 | P | 52.8 | Low | 45.4 | Very low | 123 Ų | 123 | 124 Ų | 124 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | | | | -148.5 | 160.5 | 110.6 | 28.2 | -7.5 | 0 | 0 | 0 | 113.8 | | |
| 89 | S | 43.7 | Very low | 45.5 | Very low | 102 Ų | 102 | 125.9 Ų | 125.9 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | | | cis | 112.3 | 98.1 | 17.2 | -175.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 90 | A | 45.7 | Very low | 45.8 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | | | trans | 167.8 | 158.3 | 152.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 91 | Q | 45.3 | Very low | 46.6 | Very low | 188 Ų | 188 | 123.1 Ų | 123.1 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | | | cis | -176.6 | 167.8 | -43.2 | -110.9 | -138.3 | -65.1 | 0 | 0 | 105.6 | | |
| 92 | P | 55.4 | Low | 46.8 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | trans | -126 | -178.5 | -142.9 | 44.5 | -34.4 | 0 | 0 | 0 | 117 | | |
| 93 | A | 50.7 | Low | 47.2 | Very low | 98 Ų | 98 | 127.3 Ų | 127.3 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | trans | -149.2 | 156.8 | 157.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 94 | S | 45.9 | Very low | 48 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | trans | -148.3 | -159.3 | 179.4 | -49.4 | 0 | 0 | 0 | 0 | 107.3 | | |
| 95 | P | 52.4 | Low | 48.4 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | | | cis | -139.8 | -165.3 | -12.2 | 39.2 | -17.7 | 0 | 0 | 0 | 115.1 | | |
| 96 | S | 43.3 | Very low | 48.8 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | | | trans | 66.9 | 138.3 | 155.9 | 45.1 | 0 | 0 | 0 | 0 | 120 | | |
| 97 | S | 43.9 | Very low | 49 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | | | cis | 82.2 | 140.3 | 31.3 | -148.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 98 | A | 42.8 | Very low | 49.6 | Very low | 82 Ų | 82 | 125 Ų | 125 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | | | cis | -159.7 | -177.4 | 19.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 99 | M | 49.4 | Very low | 49.6 | Very low | 194 Ų | 194 | 126.9 Ų | 126.9 | 96% | 0.956 | 77% | 0.77 | S | S | * | * | | | trans | 86 | 157 | 152.7 | -71.6 | -176.9 | 169.9 | 0 | 0 | 122.9 | | |
| 100 | A | 47.2 | Very low | 49.8 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | | | trans | -155.2 | -160.4 | -176 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 101 | P | 59.1 | Low | 50.1 | Low | 114 Ų | 114 | 130.6 Ų | 130.6 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | | | cis | -134.8 | -164.4 | -16.5 | 35.6 | -12.9 | 0 | 0 | 0 | 114.2 | | |
| 102 | D | 46.1 | Very low | 50.1 | Low | 147 Ų | 147 | 130.9 Ų | 130.9 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | | | trans | 94.7 | 153.4 | 138.9 | -121.8 | -31.9 | 0 | 0 | 0 | 123.6 | | |
| 103 | R | 52.1 | Low | 49.7 | Very low | 207 Ų | 207 | 131 Ų | 131 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | | | trans | 70.2 | 149 | 167.9 | -63.5 | -172.9 | 124.7 | 119.6 | 10.2 | 120 | | |
| 104 | D | 56.8 | Low | 49.7 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | | | cis | -155.2 | 160 | -9.8 | -111 | -24.4 | 0 | 0 | 0 | 112.6 | | |
| 105 | D | 54.3 | Low | 49.8 | Very low | 146 Ų | 146 | 131.5 Ų | 131.5 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | | | trans | 5.5 | 120.6 | 158.1 | -154.1 | 6.6 | 0 | 0 | 0 | 120.2 | | |
| 106 | S | 49 | Very low | 49.7 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | | 160.5 | 173.7 | 86.5 | 51 | 0 | 0 | 0 | 0 | 110.4 | | |
| 107 | G | 51.9 | Low | 49.8 | Very low | 72 Ų | 72 | 135.4 Ų | 135.4 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | | | cis | 170.7 | 156.4 | -9.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 108 | K | 53.3 | Low | 49.8 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | | | trans | 57.8 | 114.2 | 160.3 | -80.7 | 179.9 | 163.1 | -79.5 | 0 | 124.8 | | |
| 109 | E | 52.7 | Low | 49.8 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | | | | 85.1 | 150.2 | 126.4 | -76.1 | 156.7 | -153.3 | 0 | 0 | 124 | | |
| 110 | M | 48.6 | Very low | 49.5 | Very low | 180 Ų | 180 | 137.1 Ų | 137.1 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | | | trans | -113.9 | -169.9 | -174.6 | -61.1 | -161.5 | -68 | 0 | 0 | 109.9 | | |
| 111 | P | 52.7 | Low | 49.3 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | | | cis | -145.7 | 173.5 | 5 | 43.8 | -23.7 | 0 | 0 | 0 | 119.6 | | |
| 112 | K | 45 | Very low | 48.6 | Very low | 194 Ų | 194 | 136.9 Ų | 136.9 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | trans | 39.4 | 123.8 | 145.8 | -63.1 | 167.1 | -178.2 | 177.7 | 0 | 119 | | |
| 113 | S | 46.8 | Very low | 48.5 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | | 168.9 | 171.8 | 79.7 | 47.3 | 0 | 0 | 0 | 0 | 114 | | |
| 114 | S | 51.3 | Low | 48.5 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | trans | 58.9 | 94.9 | 164.1 | 53.3 | 0 | 0 | 0 | 0 | 122 | | |
| 115 | S | 46.9 | Very low | 48.6 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | | | | 8.4 | 160.2 | 117.3 | -54.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 116 | P | 50.7 | Low | 47.9 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | | | cis | -140.4 | -169.1 | -20.2 | 36.6 | -15.4 | 0 | 0 | 0 | 115.3 | | |
| 117 | M | 45 | Very low | 48 | Very low | 181 Ų | 181 | 132 Ų | 132 | 89% | 0.892 | 81% | 0.81 | S | S | * | * | | | trans | 71.3 | 97.2 | 158.3 | -71 | -170.8 | 155.3 | 0 | 0 | 120.9 | | |
| 118 | K | 45 | Very low | 48 | Very low | 221 Ų | 221 | 137.4 Ų | 137.4 | 96% | 0.961 | 82% | 0.816 | S | S | * | * | | | | -162.2 | 164.8 | 110.2 | -119.6 | 173.2 | -178.8 | 174.1 | 0 | 112.1 | | |
| 119 | A | 41.4 | Very low | 48.4 | Very low | 105 Ų | 105 | 133 Ų | 133 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | | | trans | -96 | 141.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 120 | A | 42.9 | Very low | 48.8 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | | | trans | -151.5 | 153.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 121 | A | 43 | Very low | 49.2 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | | | trans | -113 | 145.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 122 | A | 44.7 | Very low | 49.7 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | | | trans | -163.3 | 146.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 123 | A | 43.6 | Very low | 50.8 | Low | 100 Ų | 100 | 131.5 Ų | 131.5 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | | | trans | 46.6 | 109.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 124 | V | 53.4 | Low | 51.4 | Low | 138 Ų | 138 | 130 Ų | 130 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | | | trans | -126 | 130.8 | 149.7 | 177.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 125 | P | 57.7 | Low | 52.2 | Low | 122 Ų | 122 | 128.3 Ų | 128.3 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | | | trans | -77.4 | 147.5 | -178.4 | 31.1 | -34.7 | 0 | 0 | 0 | 112.4 | | |
| 126 | S | 40.7 | Very low | 52.9 | Low | 105 Ų | 105 | 128.7 Ų | 128.7 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | trans | -80.6 | 139.4 | 175.7 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 127 | L | 50 | Low | 53.4 | Low | 173 Ų | 173 | 130.6 Ų | 130.6 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | | | trans | -154.8 | 70.4 | 171.5 | -135.1 | 166.4 | 0 | 0 | 0 | 109.6 | | |
| 128 | E | 52.9 | Low | 54.4 | Low | 185 Ų | 185 | 127.4 Ų | 127.4 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | trans | -93.3 | 118.5 | -173.4 | -172.4 | 149.7 | -154.9 | 0 | 0 | 111.9 | | |
| 129 | A | 62.2 | Low | 55.5 | Low | 76 Ų | 76 | 121.1 Ų | 121.1 | 63% | 0.628 | 74% | 0.74 | S | S | * | * | | | trans | -122.3 | 133.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | R131 | A129-R131 PolarHBondContact O-N 3.2Š|
| 130 | P | 61.3 | Low | 56.8 | Low | 128 Ų | 128 | 119 Ų | 119 | 83% | 0.831 | 72% | 0.719 | S | S | * | * | | | trans | -71.1 | 115.2 | -169.2 | 27.3 | -34.6 | 0 | 0 | 0 | 112.1 | Q132 | P130-Q132 PolarHBondContact O-N 3.37Š|
| 131 | R | 55.8 | Low | 58.1 | Low | 245 Ų | 245 | 115.6 Ų | 115.6 | 93% | 0.925 | 69% | 0.694 | S | S | * | * | | | trans | -76.7 | 111 | 168.9 | -74.3 | -178.3 | 169.9 | 178.9 | -2.9 | 109.9 | A129 | A129-R131 PolarHBondContact O-N 3.2Š|
| 132 | Q | 63.8 | Low | 59.1 | Low | 158 Ų | 158 | 118.5 Ų | 118.5 | 74% | 0.738 | 69% | 0.687 | S | S | * | * | | | trans | -63.5 | 149 | 166.9 | -74.9 | -173.5 | -61.2 | 0 | 0 | 111.3 | P130 A134 | P130-Q132 PolarHBondContact O-N 3.37Å; Q132-A134 PolarHBondContact O-N 3.39Å |
| 133 | P | 67.5 | Low | 60.5 | Low | 73 Ų | 73 | 118.5 Ų | 118.5 | 47% | 0.474 | 67% | 0.673 | S | S | . | * | | | trans | -73.5 | 125.6 | -179.2 | 30.3 | -34.6 | 0 | 0 | 0 | 111.4 | S135 E136 | P133-S135 PolarHBondContact O-N 3.45Å; P133-E136 PolarHBondContact O-N 2.93Å |
| 134 | A | 60 | Low | 62 | Low | 80 Ų | 80 | 119.1 Ų | 119.1 | 66% | 0.661 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -5.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q132 | Q132-A134 PolarHBondContact O-N 3.39Š|
| 135 | S | 67.9 | Low | 62.8 | Low | 70 Ų | 70 | 117.5 Ų | 117.5 | 49% | 0.49 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -65.3 | -33.5 | 176.9 | 44.6 | 0 | 0 | 0 | 0 | 113.8 | P133 L138 V139 | P133-S135 PolarHBondContact O-N 3.45Å; S135-L138 PolarHBondContact O-N 3.44Å; S135-V139 PolarHBondContact O-N 3.26Å |
| 136 | E | 61.3 | Low | 64 | Low | 121 Ų | 121 | 113.8 Ų | 113.8 | 57% | 0.565 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.9 | -39.1 | -172.7 | -65.1 | -177.6 | 177.1 | 0 | 0 | 112.3 | P133 L138 V139 S140 | P133-E136 PolarHBondContact O-N 2.93Å; E136-L138 VanDerWaalsContact C-N 3.32Å; E136-L138 PolarHBondContact O-N 3.42Å; E136-V139 PolarHBondContact O-N 3.47Å; E136-S140 PolarHBondContact O-N 3.1Å; E136-S140 VanDerWaalsContact O-N 3.08Å |
| 137 | H | 61 | Low | 65.8 | Low | 154 Ų | 154 | 115 Ų | 115 | 71% | 0.713 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.1 | -34 | 174.8 | -81.8 | -71.9 | 0 | 0 | 0 | 113.1 | G141 | H137-G141 PolarHBondContact O-N 3.41Å |
| 138 | L | 65.6 | Low | 67.5 | Low | 114 Ų | 114 | 114.6 Ų | 114.6 | 60% | 0.597 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.4 | -45.3 | 176.7 | -67.8 | 174.4 | 0 | 0 | 0 | 111.3 | S135 E136 S140 G141 F142 | S135-L138 PolarHBondContact O-N 3.44Å; E136-L138 VanDerWaalsContact C-N 3.32Å; E136-L138 PolarHBondContact O-N 3.42Å; L138-S140 VanDerWaalsContact C-N 3.34Å; L138-S140 PolarHBondContact O-N 3.3Å; L138-G141 PolarHBondContact O-N 3.37Å; L138-F142 WeakPolarHBondContact O-CD2 3.5Å; L138-F142 PolarHBondContact O-N 3.02Å |
| 139 | V | 69.3 | Low | 69.1 | Low | 89 Ų | 89 | 111 Ų | 111 | 54% | 0.539 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.6 | -42.8 | 177.4 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | S135 E136 F142 L143 | S135-V139 PolarHBondContact O-N 3.26Å; E136-V139 PolarHBondContact O-N 3.47Å; V139-F142 PolarHBondContact O-N 3.41Å; V139-L143 HydrophobicContact CG1-CD1 4.13Å; V139-L143 WeakPolarHBondContact O-CG 3.47Å; V139-L143 PolarHBondContact O-N 3.23Å; V139-L143 VanDerWaalsContact O-N 3.07Å |
| 140 | S | 68.8 | Low | 70.4 | Confident | 61 Ų | 61 | 112.3 Ų | 112.3 | 43% | 0.427 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -59.6 | -47.2 | 175.2 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | E136 L138 F142 L143 I144 | E136-S140 PolarHBondContact O-N 3.1Å; E136-S140 VanDerWaalsContact O-N 3.08Å; L138-S140 VanDerWaalsContact C-N 3.34Å; L138-S140 PolarHBondContact O-N 3.3Å; S140-F142 PolarHBondContact O-N 3.47Å; S140-L143 PolarHBondContact O-N 3.45Å; S140-I144 WeakPolarHBondContact O-CG1 3.39Å; S140-I144 PolarHBondContact O-N 3.08Å; S140-I144 VanDerWaalsContact O-N 3.1Å |
| 141 | G | 70.3 | Confident | 71.8 | Confident | 35 Ų | 35 | 112.5 Ų | 112.5 | 36% | 0.361 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.7 | -44.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | H137 L138 L143 I144 V145 | H137-G141 PolarHBondContact O-N 3.41Å; L138-G141 PolarHBondContact O-N 3.37Å; G141-L143 PolarHBondContact O-N 3.29Å; G141-I144 PolarHBondContact O-N 3.32Å; G141-V145 WeakPolarHBondContact O-CG2 3.35Å; G141-V145 PolarHBondContact O-N 3.34Å; G141-V145 VanDerWaalsContact O-N 3.16Å |
| 142 | F | 63.5 | Low | 73.5 | Confident | 164 Ų | 164 | 105.4 Ų | 105.4 | 72% | 0.719 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64 | -38 | 177.1 | -89.6 | -73.3 | 0 | 0 | 0 | 112.9 | L138 V139 S140 G146 | L138-F142 WeakPolarHBondContact O-CD2 3.5Å; L138-F142 PolarHBondContact O-N 3.02Å; V139-F142 PolarHBondContact O-N 3.41Å; S140-F142 PolarHBondContact O-N 3.47Å; F142-G146 PolarHBondContact O-N 3.4Å |
| 143 | L | 74.4 | Confident | 74.7 | Confident | 98 Ų | 98 | 102 Ų | 102 | 51% | 0.513 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65 | -46.2 | 176.1 | -72.9 | 169.9 | 0 | 0 | 0 | 111.8 | V139 S140 G141 V145 G146 F147 | V139-L143 HydrophobicContact CG1-CD1 4.13Å; V139-L143 WeakPolarHBondContact O-CG 3.47Å; V139-L143 PolarHBondContact O-N 3.23Å; V139-L143 VanDerWaalsContact O-N 3.07Å; S140-L143 PolarHBondContact O-N 3.45Å; G141-L143 PolarHBondContact O-N 3.29Å; L143-V145 PolarHBondContact O-N 3.02Å; L143-G146 PolarHBondContact O-N 3.26Å; L143-G146 VanDerWaalsContact O-N 3.17Å; L143-F147 HydrophobicContact CB-CE2 4.45Å; L143-F147 WeakPolarHBondContact O-CD2 3.46Å; L143-F147 PolarHBondContact O-N 3Å |
| 144 | I | 73.9 | Confident | 76 | Confident | 113 Ų | 113 | 104.1 Ų | 104.1 | 58% | 0.579 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.9 | -43.3 | -179.1 | -66.8 | 165.6 | 0 | 0 | 0 | 111.4 | S140 G141 R148 | S140-I144 WeakPolarHBondContact O-CG1 3.39Å; S140-I144 PolarHBondContact O-N 3.08Å; S140-I144 VanDerWaalsContact O-N 3.1Å; G141-I144 PolarHBondContact O-N 3.32Å; I144-R148 PolarHBondContact O-N 3.34Å |
| 145 | V | 71.7 | Confident | 77.6 | Confident | 104 Ų | 104 | 105.7 Ų | 105.7 | 63% | 0.63 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.3 | -39.7 | 175.4 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | G141 L143 H149 | G141-V145 WeakPolarHBondContact O-CG2 3.35Å; G141-V145 PolarHBondContact O-N 3.34Å; G141-V145 VanDerWaalsContact O-N 3.16Å; L143-V145 PolarHBondContact O-N 3.02Å; V145-H149 PolarHBondContact O-N 3.01Å |
| 146 | G | 81.7 | Confident | 78.9 | Confident | 43 Ų | 43 | 110.1 Ų | 110.1 | 44% | 0.443 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.2 | -44.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F142 L143 L150 | F142-G146 PolarHBondContact O-N 3.4Å; L143-G146 PolarHBondContact O-N 3.26Å; L143-G146 VanDerWaalsContact O-N 3.17Å; G146-L150 PolarHBondContact O-N 3.32Å; G146-L150 VanDerWaalsContact O-N 3.14Å |
| 147 | F | 78.2 | Confident | 80.5 | Confident | 132 Ų | 132 | 108.8 Ų | 108.8 | 58% | 0.579 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.4 | -46.1 | 178 | -79.1 | -65.1 | 0 | 0 | 0 | 112.4 | L143 H149 L150 E151 | L143-F147 HydrophobicContact CB-CE2 4.45Å; L143-F147 WeakPolarHBondContact O-CD2 3.46Å; L143-F147 PolarHBondContact O-N 3Å; F147-H149 VanDerWaalsContact C-N 3.31Å; F147-H149 PolarHBondContact O-N 3.48Å; F147-L150 WeakPolarHBondContact O-CA 3.41Å; F147-L150 VanDerWaalsContact O-CB 3.27Å; F147-L150 WeakPolarHBondContact O-CB 3.4Å; F147-L150 PolarHBondContact O-N 3.5Å; F147-E151 PolarHBondContact O-N 3.42Å |
| 148 | R | 85.3 | Confident | 82.2 | Confident | 163 Ų | 163 | 106 Ų | 106 | 62% | 0.615 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60 | -40.9 | 178.9 | -178.2 | 176.5 | 172.2 | 157.1 | 5.1 | 112.4 | I144 L150 E151 E152 | I144-R148 PolarHBondContact O-N 3.34Å; R148-L150 VanDerWaalsContact C-N 3.28Å; R148-L150 PolarHBondContact O-N 3.47Å; R148-E151 PolarHBondContact O-N 3.26Å; R148-E152 WeakPolarHBondContact CG-OE1 3.38Å; R148-E152 IonicContact CZ-OE1 3.84Å; R148-E152 IonicContact NE-OE1 2.94Å; R148-E152 PolarHBondContact NE-OE1 2.96Å; R148-E152 IonicContact NH2-OE1 4Å; R148-E152 WeakPolarHBondContact O-CG 3.17Å; R148-E152 PolarHBondContact O-N 3.16Å |
| 149 | H | 87.2 | Confident | 83.7 | Confident | 110 Ų | 110 | 108.5 Ų | 108.5 | 51% | 0.509 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.2 | -28.6 | 176.2 | -168.3 | 56.1 | 0 | 0 | 0 | 112.8 | V145 F147 M153 | V145-H149 PolarHBondContact O-N 3.01Å; F147-H149 VanDerWaalsContact C-N 3.31Å; F147-H149 PolarHBondContact O-N 3.48Å; H149-M153 VanDerWaalsContact O-CB 3.26Å; H149-M153 WeakPolarHBondContact O-CB 3.46Å; H149-M153 PolarHBondContact O-N 3.29Å |
| 150 | L | 90 | Very high | 84.9 | Confident | 104 Ų | 104 | 108.9 Ų | 108.9 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.9 | -41.6 | 173.1 | -162.4 | 80.2 | 0 | 0 | 0 | 111.7 | G146 F147 R148 M153 Q154 | G146-L150 PolarHBondContact O-N 3.32Å; G146-L150 VanDerWaalsContact O-N 3.14Å; F147-L150 WeakPolarHBondContact O-CA 3.41Å; F147-L150 VanDerWaalsContact O-CB 3.27Å; F147-L150 WeakPolarHBondContact O-CB 3.4Å; F147-L150 PolarHBondContact O-N 3.5Å; R148-L150 VanDerWaalsContact C-N 3.28Å; R148-L150 PolarHBondContact O-N 3.47Å; L150-M153 PolarHBondContact O-N 2.97Å; L150-Q154 WeakPolarHBondContact O-CB 3.47Å; L150-Q154 PolarHBondContact O-N 3.47Å |
| 151 | E | 90.5 | Very high | 86.2 | Confident | 131 Ų | 131 | 109.6 Ų | 109.6 | 61% | 0.612 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64 | -48.7 | 175.5 | -67.2 | 177.5 | 153.2 | 0 | 0 | 111.3 | F147 R148 M153 Q154 D155 | F147-E151 PolarHBondContact O-N 3.42Å; R148-E151 PolarHBondContact O-N 3.26Å; E151-M153 VanDerWaalsContact C-N 3.27Å; E151-M153 PolarHBondContact O-N 3.32Å; E151-Q154 PolarHBondContact O-N 3.44Å; E151-Q154 VanDerWaalsContact O-N 3.1Å; E151-D155 PolarHBondContact O-N 3.03Å |
| 152 | E | 91.1 | Very high | 87.4 | Confident | 97 Ų | 97 | 110.8 Ų | 110.8 | 45% | 0.453 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.6 | -37.9 | 175.8 | -70.8 | 168.2 | -176 | 0 | 0 | 111.7 | R148 W156 | R148-E152 WeakPolarHBondContact CG-OE1 3.38Å; R148-E152 IonicContact CZ-OE1 3.84Å; R148-E152 IonicContact NE-OE1 2.94Å; R148-E152 PolarHBondContact NE-OE1 2.96Å; R148-E152 IonicContact NH2-OE1 4Å; R148-E152 WeakPolarHBondContact O-CG 3.17Å; R148-E152 PolarHBondContact O-N 3.16Å; E152-W156 WeakPolarHBondContact O-CB 3.49Å; E152-W156 PolarHBondContact O-N 3.28Å |
| 153 | M | 89.6 | Confident | 88.9 | Confident | 87 Ų | 87 | 107.7 Ų | 107.7 | 43% | 0.429 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.1 | -38.5 | 174.5 | -169.1 | -175.6 | -53.4 | 0 | 0 | 112.6 | H149 L150 E151 W156 I157 | H149-M153 VanDerWaalsContact O-CB 3.26Å; H149-M153 WeakPolarHBondContact O-CB 3.46Å; H149-M153 PolarHBondContact O-N 3.29Å; L150-M153 PolarHBondContact O-N 2.97Å; E151-M153 VanDerWaalsContact C-N 3.27Å; E151-M153 PolarHBondContact O-N 3.32Å; M153-W156 PolarHBondContact O-N 3.11Å; M153-I157 HydrophobicContact CG-CD1 4.26Å; M153-I157 VanDerWaalsContact O-CG1 3.27Å; M153-I157 WeakPolarHBondContact O-CG1 3.46Å; M153-I157 PolarHBondContact O-N 3.42Å |
| 154 | Q | 94.4 | Very high | 90 | Very high | 117 Ų | 117 | 110 Ų | 110 | 55% | 0.547 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.2 | -45 | 176.9 | 178.9 | 169.5 | -21.2 | 0 | 0 | 111.3 | L150 E151 W156 I157 I158 | L150-Q154 WeakPolarHBondContact O-CB 3.47Å; L150-Q154 PolarHBondContact O-N 3.47Å; E151-Q154 PolarHBondContact O-N 3.44Å; E151-Q154 VanDerWaalsContact O-N 3.1Å; Q154-W156 VanDerWaalsContact C-N 3.35Å; Q154-W156 PolarHBondContact O-N 3.36Å; Q154-I157 PolarHBondContact O-N 2.94Å; Q154-I158 HydrophobicContact CG-CD1 3.96Å; Q154-I158 VanDerWaalsContact O-CG1 3.31Å; Q154-I158 WeakPolarHBondContact O-CG1 3.44Å; Q154-I158 PolarHBondContact O-N 3.2Å |
| 155 | D | 94.7 | Very high | 91 | Very high | 113 Ų | 113 | 109.8 Ų | 109.8 | 60% | 0.604 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.2 | -38.5 | 174.9 | -91.8 | 1.7 | 0 | 0 | 0 | 112 | E151 I158 K159 | E151-D155 PolarHBondContact O-N 3.03Å; D155-I158 PolarHBondContact O-N 3.17Å; D155-K159 WeakPolarHBondContact O-CB 3.35Å; D155-K159 PolarHBondContact O-N 3.42Å |
| 156 | W | 95.2 | Very high | 92.2 | Very high | 163 Ų | 163 | 107.4 Ų | 107.4 | 62% | 0.617 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.9 | -44.3 | 172.9 | -175.5 | 93.7 | 0 | 0 | 0 | 112 | E152 M153 Q154 K159 H160 | E152-W156 WeakPolarHBondContact O-CB 3.49Å; E152-W156 PolarHBondContact O-N 3.28Å; M153-W156 PolarHBondContact O-N 3.11Å; Q154-W156 VanDerWaalsContact C-N 3.35Å; Q154-W156 PolarHBondContact O-N 3.36Å; W156-K159 PolarHBondContact O-N 3.07Å; W156-H160 WeakPolarHBondContact O-CB 3.37Å; W156-H160 PolarHBondContact O-N 3.4Å |
| 157 | I | 95.5 | Very high | 92.8 | Very high | 93 Ų | 93 | 109.7 Ų | 109.7 | 48% | 0.477 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 176.4 | -71 | 166.2 | 0 | 0 | 0 | 110.8 | M153 Q154 H160 E161 | M153-I157 HydrophobicContact CG-CD1 4.26Å; M153-I157 VanDerWaalsContact O-CG1 3.27Å; M153-I157 WeakPolarHBondContact O-CG1 3.46Å; M153-I157 PolarHBondContact O-N 3.42Å; Q154-I157 PolarHBondContact O-N 2.94Å; I157-H160 PolarHBondContact O-N 2.89Å; I157-E161 WeakPolarHBondContact O-CB 3.26Å; I157-E161 PolarHBondContact O-N 3.03Å |
| 158 | I | 96.3 | Very high | 93.7 | Very high | 95 Ų | 95 | 106.2 Ų | 106.2 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62 | -48 | 179.3 | -69 | 165.6 | 0 | 0 | 0 | 110.6 | Q154 D155 H160 E161 A162 | Q154-I158 HydrophobicContact CG-CD1 3.96Å; Q154-I158 VanDerWaalsContact O-CG1 3.31Å; Q154-I158 WeakPolarHBondContact O-CG1 3.44Å; Q154-I158 PolarHBondContact O-N 3.2Å; D155-I158 PolarHBondContact O-N 3.17Å; I158-H160 PolarHBondContact O-N 2.92Å; I158-E161 PolarHBondContact O-N 3.45Å; I158-A162 WeakPolarHBondContact O-CB 3.4Å; I158-A162 PolarHBondContact O-N 2.92Å |
| 159 | K | 96.5 | Very high | 94.2 | Very high | 167 Ų | 167 | 103.8 Ų | 103.8 | 73% | 0.726 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.8 | -39.6 | 178.7 | -171.9 | 177.1 | -178.3 | -178.8 | 0 | 112.1 | D155 W156 N163 | D155-K159 WeakPolarHBondContact O-CB 3.35Å; D155-K159 PolarHBondContact O-N 3.42Å; W156-K159 PolarHBondContact O-N 3.07Å; K159-N163 WeakPolarHBondContact O-CB 3.33Å; K159-N163 PolarHBondContact O-N 2.84Å; K159-N163 VanDerWaalsContact O-N 3.1Å |
| 160 | H | 94.5 | Very high | 94.7 | Very high | 96 Ų | 96 | 101.5 Ų | 101.5 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.8 | -40.3 | 177.8 | -174.7 | -82.5 | 0 | 0 | 0 | 112.4 | W156 I157 I158 N163 R164 | W156-H160 WeakPolarHBondContact O-CB 3.37Å; W156-H160 PolarHBondContact O-N 3.4Å; I157-H160 PolarHBondContact O-N 2.89Å; I158-H160 PolarHBondContact O-N 2.92Å; H160-N163 PolarHBondContact O-N 3.17Å; H160-R164 WeakPolarHBondContact O-CB 3.36Å; H160-R164 PolarHBondContact O-N 3.48Å |
| 161 | E | 95.5 | Very high | 94.9 | Very high | 76 Ų | 76 | 100.7 Ų | 100.7 | 36% | 0.355 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 175.6 | -173 | 60 | -143.2 | 0 | 0 | 111.4 | I157 I158 N163 R164 Q165 | I157-E161 WeakPolarHBondContact O-CB 3.26Å; I157-E161 PolarHBondContact O-N 3.03Å; I158-E161 PolarHBondContact O-N 3.45Å; E161-N163 VanDerWaalsContact C-N 3.35Å; E161-N163 PolarHBondContact O-N 3.01Å; E161-R164 VanDerWaalsContact CD-CZ 3.46Å; E161-R164 VanDerWaalsContact CD-NH2 3.26Å; E161-R164 WeakPolarHBondContact O-CB 3.44Å; E161-R164 PolarHBondContact O-N 3.3Å; E161-R164 VanDerWaalsContact O-N 3.12Å; E161-R164 IonicContact OE1-CZ 3.79Å; E161-R164 IonicContact OE1-NE 2.65Å; E161-R164 IonicContact OE1-NH1 3.39Å; E161-R164 IonicContact OE1-NH2 2.95Å; E161-R164 PolarHBondContact OE1-NH2 3.06Å; E161-R164 IonicContact OE2-CZ 2.62Å; E161-R164 IonicContact OE2-NE 3.73Å; E161-R164 IonicContact OE2-NH1 2.91Å; E161-R164 PolarHBondContact OE2-NH1 3.21Å; E161-R164 IonicContact OE2-NH2 3.85Å; E161-R164 PolarHBondContact OE2-NH2 3.03Å; E161-R164 VanDerWaalsContact OE2-NH2 3.1Å; E161-Q165 PolarHBondContact O-N 3.43Å |
| 162 | A | 95.8 | Very high | 95.2 | Very high | 60 Ų | 60 | 99.1 Ų | 99.1 | 50% | 0.496 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I158 Q165 A166 | I158-A162 WeakPolarHBondContact O-CB 3.4Å; I158-A162 PolarHBondContact O-N 2.92Å; A162-Q165 PolarHBondContact O-N 3.2Å; A162-A166 PolarHBondContact O-N 2.85Å |
| 163 | N | 96.2 | Very high | 95.5 | Very high | 100 Ų | 100 | 97.3 Ų | 97.3 | 54% | 0.535 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 173.6 | -172.6 | 17.4 | 0 | 0 | 0 | 111.7 | K159 H160 E161 Q165 A166 V167 | K159-N163 WeakPolarHBondContact O-CB 3.33Å; K159-N163 PolarHBondContact O-N 2.84Å; K159-N163 VanDerWaalsContact O-N 3.1Å; H160-N163 PolarHBondContact O-N 3.17Å; E161-N163 VanDerWaalsContact C-N 3.35Å; E161-N163 PolarHBondContact O-N 3.01Å; N163-Q165 VanDerWaalsContact C-N 3.3Å; N163-Q165 PolarHBondContact O-N 3.05Å; N163-A166 PolarHBondContact O-N 3.28Å; N163-V167 WeakPolarHBondContact O-CG2 3.44Å; N163-V167 PolarHBondContact O-N 3.16Å |
| 164 | R | 95.7 | Very high | 95.8 | Very high | 145 Ų | 145 | 99.5 Ų | 99.5 | 55% | 0.547 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.2 | -37.6 | 176.8 | -159.3 | -174.9 | 78.6 | -146.4 | -0.1 | 112 | H160 E161 A168 | H160-R164 WeakPolarHBondContact O-CB 3.36Å; H160-R164 PolarHBondContact O-N 3.48Å; E161-R164 VanDerWaalsContact CD-CZ 3.46Å; E161-R164 VanDerWaalsContact CD-NH2 3.26Å; E161-R164 WeakPolarHBondContact O-CB 3.44Å; E161-R164 PolarHBondContact O-N 3.3Å; E161-R164 VanDerWaalsContact O-N 3.12Å; E161-R164 IonicContact OE1-CZ 3.79Å; E161-R164 IonicContact OE1-NE 2.65Å; E161-R164 IonicContact OE1-NH1 3.39Å; E161-R164 IonicContact OE1-NH2 2.95Å; E161-R164 PolarHBondContact OE1-NH2 3.06Å; E161-R164 IonicContact OE2-CZ 2.62Å; E161-R164 IonicContact OE2-NE 3.73Å; E161-R164 IonicContact OE2-NH1 2.91Å; E161-R164 PolarHBondContact OE2-NH1 3.21Å; E161-R164 IonicContact OE2-NH2 3.85Å; E161-R164 PolarHBondContact OE2-NH2 3.03Å; E161-R164 VanDerWaalsContact OE2-NH2 3.1Å; R164-A168 WeakPolarHBondContact O-CB 3.32Å; R164-A168 PolarHBondContact O-N 3.25Å; R164-A168 VanDerWaalsContact O-N 3.09Å |
| 165 | Q | 96 | Very high | 96 | Very high | 109 Ų | 109 | 102.2 Ų | 102.2 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.8 | -46.5 | 174.1 | -176 | 172.5 | -25.2 | 0 | 0 | 111.7 | E161 A162 N163 V167 A168 E169 | E161-Q165 PolarHBondContact O-N 3.43Å; A162-Q165 PolarHBondContact O-N 3.2Å; N163-Q165 VanDerWaalsContact C-N 3.3Å; N163-Q165 PolarHBondContact O-N 3.05Å; Q165-V167 VanDerWaalsContact C-N 3.31Å; Q165-V167 PolarHBondContact O-N 3.14Å; Q165-A168 WeakPolarHBondContact O-CA 3.45Å; Q165-A168 WeakPolarHBondContact O-CB 3.27Å; Q165-A168 PolarHBondContact O-N 3.42Å; Q165-E169 HydrophobicContact CG-CG 4.45Å; Q165-E169 WeakPolarHBondContact CG-OE1 3.45Å; Q165-E169 PolarHBondContact NE2-OE1 3.03Å; Q165-E169 WeakPolarHBondContact O-CG 3.47Å; Q165-E169 PolarHBondContact O-N 3.05Å |
| 166 | A | 95.6 | Very high | 96 | Very high | 54 Ų | 54 | 102.2 Ų | 102.2 | 45% | 0.446 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.3 | -41.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | A162 N163 E169 A170 | A162-A166 PolarHBondContact O-N 2.85Å; N163-A166 PolarHBondContact O-N 3.28Å; A166-E169 PolarHBondContact O-N 3.4Å; A166-A170 WeakPolarHBondContact O-CB 3.39Å; A166-A170 PolarHBondContact O-N 3.42Å |
| 167 | V | 95.8 | Very high | 96.1 | Very high | 92 Ų | 92 | 100.1 Ų | 100.1 | 56% | 0.558 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.3 | -38 | 174 | 171.6 | 0 | 0 | 0 | 0 | 111.9 | N163 Q165 C171 | N163-V167 WeakPolarHBondContact O-CG2 3.44Å; N163-V167 PolarHBondContact O-N 3.16Å; Q165-V167 VanDerWaalsContact C-N 3.31Å; Q165-V167 PolarHBondContact O-N 3.14Å; V167-C171 VanDerWaalsContact O-CB 3.24Å; V167-C171 WeakPolarHBondContact O-CB 3.41Å; V167-C171 PolarHBondContact O-N 2.98Å |
| 168 | A | 96 | Very high | 96.2 | Very high | 58 Ų | 58 | 100.6 Ų | 100.6 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.9 | -39.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R164 Q165 C171 N172 | R164-A168 WeakPolarHBondContact O-CB 3.32Å; R164-A168 PolarHBondContact O-N 3.25Å; R164-A168 VanDerWaalsContact O-N 3.09Å; Q165-A168 WeakPolarHBondContact O-CA 3.45Å; Q165-A168 WeakPolarHBondContact O-CB 3.27Å; Q165-A168 PolarHBondContact O-N 3.42Å; A168-C171 PolarHBondContact O-N 3.17Å; A168-N172 WeakPolarHBondContact O-CB 3.4Å; A168-N172 PolarHBondContact O-N 2.62Å |
| 169 | E | 96.8 | Very high | 96.2 | Very high | 112 Ų | 112 | 98.4 Ų | 98.4 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.9 | -44.5 | 176.6 | -71.8 | 176.5 | -166.9 | 0 | 0 | 111.7 | Q165 A166 C171 N172 A173 | Q165-E169 HydrophobicContact CG-CG 4.45Å; Q165-E169 WeakPolarHBondContact CG-OE1 3.45Å; Q165-E169 PolarHBondContact NE2-OE1 3.03Å; Q165-E169 WeakPolarHBondContact O-CG 3.47Å; Q165-E169 PolarHBondContact O-N 3.05Å; A166-E169 PolarHBondContact O-N 3.4Å; E169-C171 VanDerWaalsContact C-N 3.35Å; E169-C171 PolarHBondContact O-N 3.32Å; E169-N172 PolarHBondContact O-N 3.03Å; E169-A173 PolarHBondContact O-N 2.87Å |
| 170 | A | 96.2 | Very high | 96.2 | Very high | 63 Ų | 63 | 93.7 Ų | 93.7 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A166 A173 K174 | A166-A170 WeakPolarHBondContact O-CB 3.39Å; A166-A170 PolarHBondContact O-N 3.42Å; A170-A173 PolarHBondContact O-N 3.3Å; A170-K174 PolarHBondContact O-N 3.32Å |
| 171 | C | 95.7 | Very high | 96.4 | Very high | 87 Ų | 87 | 93.3 Ų | 93.3 | 59% | 0.588 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.5 | -41.9 | 174.1 | -176.2 | 0 | 0 | 0 | 0 | 111.8 | V167 A168 E169 R175 | V167-C171 VanDerWaalsContact O-CB 3.24Å; V167-C171 WeakPolarHBondContact O-CB 3.41Å; V167-C171 PolarHBondContact O-N 2.98Å; A168-C171 PolarHBondContact O-N 3.17Å; E169-C171 VanDerWaalsContact C-N 3.35Å; E169-C171 PolarHBondContact O-N 3.32Å; C171-R175 WeakPolarHBondContact O-CB 3.47Å; C171-R175 PolarHBondContact O-N 3.03Å |
| 172 | N | 96.3 | Very high | 96.5 | Very high | 97 Ų | 97 | 97 Ų | 97 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 176.5 | -168.2 | 36.5 | 0 | 0 | 0 | 112 | A168 E169 R175 M176 | A168-N172 WeakPolarHBondContact O-CB 3.4Å; A168-N172 PolarHBondContact O-N 2.62Å; E169-N172 PolarHBondContact O-N 3.03Å; N172-R175 WeakPolarHBondContact O-CB 3.26Å; N172-R175 PolarHBondContact O-N 3.06Å; N172-M176 WeakPolarHBondContact O-CG 3.35Å; N172-M176 PolarHBondContact O-N 3.02Å |
| 173 | A | 96.7 | Very high | 96.6 | Very high | 59 Ų | 59 | 98.2 Ų | 98.2 | 49% | 0.488 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.1 | -49.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E169 A170 R175 M176 E177 | E169-A173 PolarHBondContact O-N 2.87Å; A170-A173 PolarHBondContact O-N 3.3Å; A173-R175 VanDerWaalsContact C-N 3.28Å; A173-R175 PolarHBondContact O-N 2.95Å; A173-M176 WeakPolarHBondContact O-CB 3.4Å; A173-M176 PolarHBondContact O-N 3.35Å; A173-E177 PolarHBondContact O-N 3.32Å |
| 174 | K | 97.4 | Very high | 96.6 | Very high | 134 Ų | 134 | 101 Ų | 101 | 58% | 0.583 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.5 | -33.6 | 176.3 | -166.3 | 166 | -172.2 | 168.9 | 0 | 112.5 | A170 E177 I178 | A170-K174 PolarHBondContact O-N 3.32Å; K174-E177 PolarHBondContact O-N 2.91Å; K174-I178 HydrophobicContact CG-CD1 4.29Å; K174-I178 WeakPolarHBondContact O-CD1 3.43Å; K174-I178 VanDerWaalsContact O-CG1 3.27Å; K174-I178 WeakPolarHBondContact O-CG1 3.37Å; K174-I178 PolarHBondContact O-N 2.94Å |
| 175 | R | 97 | Very high | 96.8 | Very high | 174 Ų | 174 | 102 Ų | 102 | 66% | 0.657 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.7 | -35.1 | 172.9 | -169.8 | -179.9 | -174.6 | -174 | 2.8 | 112.7 | C171 N172 A173 N179 | C171-R175 WeakPolarHBondContact O-CB 3.47Å; C171-R175 PolarHBondContact O-N 3.03Å; N172-R175 WeakPolarHBondContact O-CB 3.26Å; N172-R175 PolarHBondContact O-N 3.06Å; A173-R175 VanDerWaalsContact C-N 3.28Å; A173-R175 PolarHBondContact O-N 2.95Å; R175-N179 PolarHBondContact O-N 3.04Å; R175-N179 PolarHBondContact O-ND2 3.4Å |
| 176 | M | 95.4 | Very high | 96.8 | Very high | 113 Ų | 113 | 100.6 Ų | 100.6 | 56% | 0.557 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70 | -43 | 174 | -71.4 | -63 | -69.9 | 0 | 0 | 111.2 | N172 A173 I178 N179 C180 | N172-M176 WeakPolarHBondContact O-CG 3.35Å; N172-M176 PolarHBondContact O-N 3.02Å; A173-M176 WeakPolarHBondContact O-CB 3.4Å; A173-M176 PolarHBondContact O-N 3.35Å; M176-I178 PolarHBondContact O-N 3.43Å; M176-N179 PolarHBondContact O-N 3.29Å; M176-N179 VanDerWaalsContact O-N 3.17Å; M176-C180 PolarHBondContact O-N 2.89Å; M176-C180 PolarHBondContact O-SG 3.18Å |
| 177 | E | 96.9 | Very high | 96.9 | Very high | 119 Ų | 119 | 105.5 Ų | 105.5 | 56% | 0.556 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -55.6 | -51.6 | 173.7 | -175.5 | -172.9 | -168.2 | 0 | 0 | 112 | A173 K174 N179 C180 V181 | A173-E177 PolarHBondContact O-N 3.32Å; K174-E177 PolarHBondContact O-N 2.91Å; E177-N179 VanDerWaalsContact C-N 3.27Å; E177-N179 PolarHBondContact O-N 3.21Å; E177-C180 WeakPolarHBondContact O-CA 3.41Å; E177-C180 WeakPolarHBondContact O-CB 3.38Å; E177-C180 PolarHBondContact O-N 3.14Å; E177-V181 WeakPolarHBondContact O-CG2 3.36Å; E177-V181 PolarHBondContact O-N 3.01Å |
| 178 | I | 97.3 | Very high | 97 | Very high | 102 Ų | 102 | 104 Ų | 104 | 52% | 0.523 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.1 | -39.2 | 177 | -69.2 | 164.7 | 0 | 0 | 0 | 111.3 | K174 M176 V181 R182 | K174-I178 HydrophobicContact CG-CD1 4.29Å; K174-I178 WeakPolarHBondContact O-CD1 3.43Å; K174-I178 VanDerWaalsContact O-CG1 3.27Å; K174-I178 WeakPolarHBondContact O-CG1 3.37Å; K174-I178 PolarHBondContact O-N 2.94Å; M176-I178 PolarHBondContact O-N 3.43Å; I178-V181 PolarHBondContact O-N 3.32Å; I178-R182 WeakPolarHBondContact O-CB 3.5Å; I178-R182 PolarHBondContact O-N 3.4Å |
| 179 | N | 96.9 | Very high | 97.1 | Very high | 49 Ų | 49 | 104.9 Ų | 104.9 | 26% | 0.262 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.2 | -39.6 | 174.3 | -82.7 | -58 | 0 | 0 | 0 | 112.5 | R175 M176 E177 R182 L183 | R175-N179 PolarHBondContact O-N 3.04Å; R175-N179 PolarHBondContact O-ND2 3.4Å; M176-N179 PolarHBondContact O-N 3.29Å; M176-N179 VanDerWaalsContact O-N 3.17Å; E177-N179 VanDerWaalsContact C-N 3.27Å; E177-N179 PolarHBondContact O-N 3.21Å; N179-R182 PolarHBondContact O-N 3.1Å; N179-R182 PolarHBondContact OD1-NH2 3.01Å; N179-L183 WeakPolarHBondContact O-CB 3.34Å; N179-L183 VanDerWaalsContact O-CG 3.3Å; N179-L183 WeakPolarHBondContact O-CG 3.31Å; N179-L183 PolarHBondContact O-N 3.32Å |
| 180 | C | 96.8 | Very high | 97.1 | Very high | 68 Ų | 68 | 105.4 Ų | 105.4 | 46% | 0.459 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 174.1 | -72.5 | 0 | 0 | 0 | 0 | 112.1 | M176 E177 L183 K184 | M176-C180 PolarHBondContact O-N 2.89Å; M176-C180 PolarHBondContact O-SG 3.18Å; E177-C180 WeakPolarHBondContact O-CA 3.41Å; E177-C180 WeakPolarHBondContact O-CB 3.38Å; E177-C180 PolarHBondContact O-N 3.14Å; C180-L183 PolarHBondContact O-N 3.26Å; C180-K184 WeakPolarHBondContact O-CB 3.19Å; C180-K184 WeakPolarHBondContact O-CG 3.27Å; C180-K184 PolarHBondContact O-N 3.14Å |
| 181 | V | 97.5 | Very high | 97.2 | Very high | 88 Ų | 88 | 109.9 Ų | 109.9 | 53% | 0.533 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 173.9 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | E177 I178 L183 K184 K185 | E177-V181 WeakPolarHBondContact O-CG2 3.36Å; E177-V181 PolarHBondContact O-N 3.01Å; I178-V181 PolarHBondContact O-N 3.32Å; V181-L183 PolarHBondContact O-N 3.07Å; V181-K184 WeakPolarHBondContact O-CB 3.21Å; V181-K184 PolarHBondContact O-N 3.31Å; V181-K185 PolarHBondContact O-N 3.33Å |
| 182 | R | 97.8 | Very high | 97.3 | Very high | 154 Ų | 154 | 108.7 Ų | 108.7 | 58% | 0.581 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.8 | -44.1 | 176.7 | -169.9 | 170.8 | 67.3 | 107.6 | 0.6 | 112.1 | I178 N179 K185 E186 | I178-R182 WeakPolarHBondContact O-CB 3.5Å; I178-R182 PolarHBondContact O-N 3.4Å; N179-R182 PolarHBondContact O-N 3.1Å; N179-R182 PolarHBondContact OD1-NH2 3.01Å; R182-K185 PolarHBondContact O-N 3.32Å; R182-E186 WeakPolarHBondContact O-CB 3.42Å; R182-E186 PolarHBondContact O-N 3.31Å |
| 183 | L | 97.5 | Very high | 97.3 | Very high | 86 Ų | 86 | 110.3 Ų | 110.3 | 45% | 0.45 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.6 | -34.2 | 175.5 | -72.6 | 168.9 | 0 | 0 | 0 | 112.6 | N179 C180 V181 K187 | N179-L183 WeakPolarHBondContact O-CB 3.34Å; N179-L183 VanDerWaalsContact O-CG 3.3Å; N179-L183 WeakPolarHBondContact O-CG 3.31Å; N179-L183 PolarHBondContact O-N 3.32Å; C180-L183 PolarHBondContact O-N 3.26Å; V181-L183 PolarHBondContact O-N 3.07Å; L183-K187 WeakPolarHBondContact O-CB 3.34Å; L183-K187 WeakPolarHBondContact O-CG 3.37Å; L183-K187 PolarHBondContact O-N 3.18Å |
| 184 | K | 98.1 | Very high | 97.3 | Very high | 157 Ų | 157 | 116.5 Ų | 116.5 | 68% | 0.683 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.9 | -48 | 170.3 | -76.7 | 176.4 | 178.1 | -178.7 | 0 | 111.1 | C180 V181 E186 K187 A188 | C180-K184 WeakPolarHBondContact O-CB 3.19Å; C180-K184 WeakPolarHBondContact O-CG 3.27Å; C180-K184 PolarHBondContact O-N 3.14Å; V181-K184 WeakPolarHBondContact O-CB 3.21Å; V181-K184 PolarHBondContact O-N 3.31Å; K184-E186 PolarHBondContact O-N 3.41Å; K184-K187 PolarHBondContact O-N 2.76Å; K184-A188 WeakPolarHBondContact O-CB 3.39Å; K184-A188 PolarHBondContact O-N 2.91Å |
| 185 | K | 98.2 | Very high | 97.3 | Very high | 168 Ų | 168 | 114.6 Ų | 114.6 | 73% | 0.73 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.9 | -41.4 | 176.8 | -171.7 | 174.7 | -179.4 | 178.5 | 0 | 111.9 | V181 R182 A188 S189 | V181-K185 PolarHBondContact O-N 3.33Å; R182-K185 PolarHBondContact O-N 3.32Å; K185-A188 PolarHBondContact O-N 3.39Å; K185-S189 WeakPolarHBondContact O-CB 3.28Å; K185-S189 PolarHBondContact O-N 3.43Å |
| 186 | E | 97.3 | Very high | 97.2 | Very high | 78 Ų | 78 | 114.3 Ų | 114.3 | 36% | 0.364 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.2 | -44.6 | 176.7 | -165.4 | -163 | 134.7 | 0 | 0 | 112.2 | R182 K184 S189 K190 | R182-E186 WeakPolarHBondContact O-CB 3.42Å; R182-E186 PolarHBondContact O-N 3.31Å; K184-E186 PolarHBondContact O-N 3.41Å; E186-S189 PolarHBondContact O-N 3.48Å; E186-K190 HydrophobicContact CG-CD 4.35Å; E186-K190 WeakPolarHBondContact O-CB 3.38Å; E186-K190 WeakPolarHBondContact O-CG 3.48Å; E186-K190 PolarHBondContact O-N 3.19Å; E186-K190 WeakPolarHBondContact OE1-CE 3.48Å; E186-K190 IonicContact OE1-NZ 3.13Å; E186-K190 PolarHBondContact OE1-NZ 2.91Å |
| 187 | K | 98 | Very high | 97.3 | Very high | 158 Ų | 158 | 116 Ų | 116 | 69% | 0.687 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.9 | -40.1 | 174.5 | -76.4 | 179.4 | 178.4 | -175.7 | 0 | 112.1 | L183 K184 K190 K191 | L183-K187 WeakPolarHBondContact O-CB 3.34Å; L183-K187 WeakPolarHBondContact O-CG 3.37Å; L183-K187 PolarHBondContact O-N 3.18Å; K184-K187 PolarHBondContact O-N 2.76Å; K187-K190 PolarHBondContact O-N 3.36Å; K187-K191 PolarHBondContact O-N 3.41Å |
| 188 | A | 97.7 | Very high | 97.2 | Very high | 60 Ų | 60 | 115.8 Ų | 115.8 | 50% | 0.496 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.7 | -47 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K184 K185 K190 K191 A192 | K184-A188 WeakPolarHBondContact O-CB 3.39Å; K184-A188 PolarHBondContact O-N 2.91Å; K185-A188 PolarHBondContact O-N 3.39Å; A188-K190 PolarHBondContact O-N 2.93Å; A188-K191 WeakPolarHBondContact O-CB 3.38Å; A188-K191 PolarHBondContact O-N 3.37Å; A188-K191 VanDerWaalsContact O-N 3.14Å; A188-A192 PolarHBondContact O-N 2.84Å |
| 189 | S | 97.6 | Very high | 97.1 | Very high | 77 Ų | 77 | 113.9 Ų | 113.9 | 54% | 0.538 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59 | -46.5 | 174.9 | 177.4 | 0 | 0 | 0 | 0 | 112 | K185 E186 K191 A192 H193 | K185-S189 WeakPolarHBondContact O-CB 3.28Å; K185-S189 PolarHBondContact O-N 3.43Å; E186-S189 PolarHBondContact O-N 3.48Å; S189-K191 VanDerWaalsContact C-N 3.3Å; S189-K191 PolarHBondContact O-N 3.46Å; S189-A192 PolarHBondContact O-N 3.5Å; S189-H193 WeakPolarHBondContact O-CB 3.39Å; S189-H193 PolarHBondContact O-N 3.1Å |
| 190 | K | 97.8 | Very high | 96.9 | Very high | 123 Ų | 123 | 114 Ų | 114 | 54% | 0.535 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.1 | -32.8 | 175 | -75.9 | 174.7 | 171.8 | 173.9 | 0 | 113 | E186 K187 A188 R194 | E186-K190 HydrophobicContact CG-CD 4.35Å; E186-K190 WeakPolarHBondContact O-CB 3.38Å; E186-K190 WeakPolarHBondContact O-CG 3.48Å; E186-K190 PolarHBondContact O-N 3.19Å; E186-K190 WeakPolarHBondContact OE1-CE 3.48Å; E186-K190 IonicContact OE1-NZ 3.13Å; E186-K190 PolarHBondContact OE1-NZ 2.91Å; K187-K190 PolarHBondContact O-N 3.36Å; A188-K190 PolarHBondContact O-N 2.93Å; K190-R194 WeakPolarHBondContact O-CG 3.38Å; K190-R194 PolarHBondContact O-N 2.9Å |
| 191 | K | 97.7 | Very high | 96.7 | Very high | 156 Ų | 156 | 113.7 Ų | 113.7 | 68% | 0.678 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.1 | -48 | 172 | -169.6 | -179.6 | 180 | -175.1 | 0 | 111.2 | K187 A188 S189 H193 R194 V195 | K187-K191 PolarHBondContact O-N 3.41Å; A188-K191 WeakPolarHBondContact O-CB 3.38Å; A188-K191 PolarHBondContact O-N 3.37Å; A188-K191 VanDerWaalsContact O-N 3.14Å; S189-K191 VanDerWaalsContact C-N 3.3Å; S189-K191 PolarHBondContact O-N 3.46Å; K191-H193 PolarHBondContact O-N 3.46Å; K191-R194 PolarHBondContact O-N 3.26Å; K191-V195 WeakPolarHBondContact O-CG2 3.36Å; K191-V195 PolarHBondContact O-N 3.47Å |
| 192 | A | 97.3 | Very high | 96.4 | Very high | 62 Ų | 62 | 117.4 Ų | 117.4 | 51% | 0.512 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.3 | -43.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A188 S189 R194 V195 K196 | A188-A192 PolarHBondContact O-N 2.84Å; S189-A192 PolarHBondContact O-N 3.5Å; A192-R194 VanDerWaalsContact C-N 3.34Å; A192-R194 PolarHBondContact O-N 3.39Å; A192-V195 PolarHBondContact O-N 2.88Å; A192-K196 PolarHBondContact O-N 2.96Å |
| 193 | H | 96.6 | Very high | 96 | Very high | 132 Ų | 132 | 116.8 Ų | 116.8 | 61% | 0.611 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.5 | -38.1 | 175.5 | -172.6 | -64.5 | 0 | 0 | 0 | 112.5 | S189 K191 K196 K197 | S189-H193 WeakPolarHBondContact O-CB 3.39Å; S189-H193 PolarHBondContact O-N 3.1Å; K191-H193 PolarHBondContact O-N 3.46Å; H193-K196 PolarHBondContact O-N 2.88Å; H193-K197 WeakPolarHBondContact O-CB 3.47Å; H193-K197 PolarHBondContact O-N 2.95Å |
| 194 | R | 96.6 | Very high | 95.5 | Very high | 189 Ų | 189 | 121.6 Ų | 121.6 | 71% | 0.713 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.8 | -42.8 | 173.5 | -77 | 179.7 | 176.3 | -163 | -1.9 | 111.7 | K190 K191 A192 K197 N198 | K190-R194 WeakPolarHBondContact O-CG 3.38Å; K190-R194 PolarHBondContact O-N 2.9Å; K191-R194 PolarHBondContact O-N 3.26Å; A192-R194 VanDerWaalsContact C-N 3.34Å; A192-R194 PolarHBondContact O-N 3.39Å; R194-K197 PolarHBondContact O-N 3.38Å; R194-N198 WeakPolarHBondContact O-CB 3.21Å; R194-N198 VanDerWaalsContact O-CG 3.27Å; R194-N198 PolarHBondContact O-N 3.09Å; R194-N198 PolarHBondContact O-OD1 3.24Å |
| 195 | V | 96.7 | Very high | 95 | Very high | 94 Ų | 94 | 118.7 Ų | 118.7 | 57% | 0.57 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.2 | -46.9 | 175.1 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | K191 A192 K197 N198 A199 | K191-V195 WeakPolarHBondContact O-CG2 3.36Å; K191-V195 PolarHBondContact O-N 3.47Å; A192-V195 PolarHBondContact O-N 2.88Å; V195-K197 PolarHBondContact O-N 2.96Å; V195-N198 PolarHBondContact O-N 3.35Å; V195-A199 PolarHBondContact O-N 3.28Å |
| 196 | K | 96.5 | Very high | 94.6 | Very high | 167 Ų | 167 | 118.2 Ų | 118.2 | 73% | 0.726 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.7 | -41.4 | 177.4 | -170.7 | 173 | -177.3 | 176.7 | 0 | 112.5 | A192 H193 A199 S200 | A192-K196 PolarHBondContact O-N 2.96Å; H193-K196 PolarHBondContact O-N 2.88Å; K196-A199 PolarHBondContact O-N 3.42Å; K196-S200 PolarHBondContact O-N 3.4Å; K196-S200 VanDerWaalsContact O-N 3.11Å |
| 197 | K | 96.7 | Very high | 94.1 | Very high | 148 Ų | 148 | 117.3 Ų | 117.3 | 64% | 0.643 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.1 | -43.5 | 175.7 | -174.1 | 174.5 | 179.7 | 178.9 | 0 | 111.8 | H193 R194 V195 S200 S201 | H193-K197 WeakPolarHBondContact O-CB 3.47Å; H193-K197 PolarHBondContact O-N 2.95Å; R194-K197 PolarHBondContact O-N 3.38Å; V195-K197 PolarHBondContact O-N 2.96Å; K197-S200 PolarHBondContact O-N 3.4Å; K197-S201 PolarHBondContact O-N 2.9Å; K197-S201 VanDerWaalsContact O-N 3.1Å |
| 198 | N | 95.3 | Very high | 93.4 | Very high | 115 Ų | 115 | 113.3 Ų | 113.3 | 62% | 0.615 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.1 | -38 | -179.9 | -69.4 | 14.8 | 0 | 0 | 0 | 112.1 | R194 V195 S201 K202 | R194-N198 WeakPolarHBondContact O-CB 3.21Å; R194-N198 VanDerWaalsContact O-CG 3.27Å; R194-N198 PolarHBondContact O-N 3.09Å; R194-N198 PolarHBondContact O-OD1 3.24Å; V195-N198 PolarHBondContact O-N 3.35Å; N198-S201 PolarHBondContact O-N 3.12Å; N198-K202 PolarHBondContact O-N 3.47Å |
| 199 | A | 94.8 | Very high | 92.7 | Very high | 62 Ų | 62 | 118.2 Ų | 118.2 | 51% | 0.512 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.7 | -48.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V195 K196 S201 K202 E203 | V195-A199 PolarHBondContact O-N 3.28Å; K196-A199 PolarHBondContact O-N 3.42Å; A199-S201 VanDerWaalsContact C-N 3.29Å; A199-S201 PolarHBondContact O-N 3.36Å; A199-K202 PolarHBondContact O-N 3.26Å; A199-E203 PolarHBondContact O-N 3.18Å; A199-E203 VanDerWaalsContact O-N 3.16Å |
| 200 | S | 93 | Very high | 91.9 | Very high | 53 Ų | 53 | 121.4 Ų | 121.4 | 37% | 0.371 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.9 | -27.6 | 179.1 | -176.7 | 0 | 0 | 0 | 0 | 113.5 | K196 K197 R204 | K196-S200 PolarHBondContact O-N 3.4Å; K196-S200 VanDerWaalsContact O-N 3.11Å; K197-S200 PolarHBondContact O-N 3.4Å; S200-R204 PolarHBondContact O-N 3.1Å |
| 201 | S | 91.5 | Very high | 90.7 | Very high | 61 Ų | 61 | 121.7 Ų | 121.7 | 43% | 0.427 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63.3 | -54.2 | 169.6 | -162.1 | 0 | 0 | 0 | 0 | 110.6 | K197 N198 A199 E203 R204 D205 | K197-S201 PolarHBondContact O-N 2.9Å; K197-S201 VanDerWaalsContact O-N 3.1Å; N198-S201 PolarHBondContact O-N 3.12Å; A199-S201 VanDerWaalsContact C-N 3.29Å; A199-S201 PolarHBondContact O-N 3.36Å; S201-E203 PolarHBondContact O-N 3.34Å; S201-E203 VanDerWaalsContact O-N 3.12Å; S201-R204 WeakPolarHBondContact O-CA 3.35Å; S201-R204 WeakPolarHBondContact O-CB 3.44Å; S201-R204 PolarHBondContact O-N 3.48Å; S201-D205 VanDerWaalsContact C-OD2 3.24Å; S201-D205 PolarHBondContact O-N 3.42Å; S201-D205 PolarHBondContact OG-OD2 3.1Å |
| 202 | K | 91.3 | Very high | 89.3 | Confident | 165 Ų | 165 | 117.8 Ų | 117.8 | 72% | 0.717 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -60.3 | -28.5 | -176.5 | -170.4 | 173.6 | -178.9 | 179.7 | 0 | 113.3 | N198 A199 K206 | N198-K202 PolarHBondContact O-N 3.47Å; A199-K202 PolarHBondContact O-N 3.26Å; K202-K206 PolarHBondContact O-N 3.13Å; K202-K206 VanDerWaalsContact O-N 3.1Å |
| 203 | E | 89.2 | Confident | 87.8 | Confident | 142 Ų | 142 | 117.9 Ų | 117.9 | 66% | 0.664 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.4 | -44 | 173 | -173.7 | 170.8 | -145.8 | 0 | 0 | 112.3 | A199 S201 K206 A207 | A199-E203 PolarHBondContact O-N 3.18Å; A199-E203 VanDerWaalsContact O-N 3.16Å; S201-E203 PolarHBondContact O-N 3.34Å; S201-E203 VanDerWaalsContact O-N 3.12Å; E203-K206 PolarHBondContact O-N 3.26Å; E203-A207 PolarHBondContact O-N 3.42Å |
| 204 | R | 88 | Confident | 86.2 | Confident | 186 Ų | 186 | 120.7 Ų | 120.7 | 70% | 0.702 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65.3 | -41.2 | 173 | -70.1 | -179.7 | 174.9 | -158.2 | -4.6 | 112.2 | S200 S201 K206 A207 A208 | S200-R204 PolarHBondContact O-N 3.1Å; S201-R204 WeakPolarHBondContact O-CA 3.35Å; S201-R204 WeakPolarHBondContact O-CB 3.44Å; S201-R204 PolarHBondContact O-N 3.48Å; R204-K206 PolarHBondContact O-N 3.45Å; R204-A207 PolarHBondContact O-N 2.83Å; R204-A208 WeakPolarHBondContact O-CB 3.3Å; R204-A208 PolarHBondContact O-N 3.11Å |
| 205 | D | 88 | Confident | 84.6 | Confident | 96 Ų | 96 | 120.8 Ų | 120.8 | 51% | 0.513 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -63.1 | -32.8 | 177.9 | -56.2 | -36.4 | 0 | 0 | 0 | 111.1 | S201 | S201-D205 VanDerWaalsContact C-OD2 3.24Å; S201-D205 PolarHBondContact O-N 3.42Å; S201-D205 PolarHBondContact OG-OD2 3.1Å |
| 206 | K | 90 | Very high | 83.2 | Confident | 159 Ų | 159 | 122.3 Ų | 122.3 | 69% | 0.691 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -71.9 | -46.9 | 171.2 | -168.8 | -172.1 | 176.2 | -164.5 | 0 | 112 | K202 E203 R204 A208 M209 | K202-K206 PolarHBondContact O-N 3.13Å; K202-K206 VanDerWaalsContact O-N 3.1Å; E203-K206 PolarHBondContact O-N 3.26Å; R204-K206 PolarHBondContact O-N 3.45Å; K206-A208 VanDerWaalsContact C-N 3.26Å; K206-A208 PolarHBondContact O-N 3.06Å; K206-M209 PolarHBondContact O-N 3.41Å; K206-M209 VanDerWaalsContact O-N 3.11Å |
| 207 | A | 85.4 | Confident | 81.5 | Confident | 58 Ų | 58 | 120.3 Ų | 120.3 | 48% | 0.479 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -60.7 | -35.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E203 R204 M209 D210 | E203-A207 PolarHBondContact O-N 3.42Å; R204-A207 PolarHBondContact O-N 2.83Å; A207-M209 PolarHBondContact O-N 3.4Å; A207-D210 PolarHBondContact O-N 3.09Å |
| 208 | A | 84.2 | Confident | 80 | Confident | 75 Ų | 75 | 121.3 Ų | 121.3 | 62% | 0.62 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -64.4 | -22.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R204 K206 | R204-A208 WeakPolarHBondContact O-CB 3.3Å; R204-A208 PolarHBondContact O-N 3.11Å; K206-A208 VanDerWaalsContact C-N 3.26Å; K206-A208 PolarHBondContact O-N 3.06Å |
| 209 | M | 82.7 | Confident | 78.6 | Confident | 163 Ų | 163 | 120.9 Ų | 120.9 | 80% | 0.803 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -88.7 | -18.5 | 179.1 | -66.5 | -70.9 | 168.6 | 0 | 0 | 113.3 | K206 A207 | K206-M209 PolarHBondContact O-N 3.41Å; K206-M209 VanDerWaalsContact O-N 3.11Å; A207-M209 PolarHBondContact O-N 3.4Å |
| 210 | D | 81.2 | Confident | 76.6 | Confident | 144 Ų | 144 | 124.4 Ų | 124.4 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -84.5 | -18.2 | -176.6 | -133.5 | 17.5 | 0 | 0 | 0 | 112.4 | A207 G212 | A207-D210 PolarHBondContact O-N 3.09Å; D210-G212 PolarHBondContact O-N 2.84Å |
| 211 | V | 72.2 | Confident | 74.8 | Confident | 129 Ų | 129 | 129.6 Ų | 129.6 | 78% | 0.782 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 25.8 | 178.2 | -162.5 | 0 | 0 | 0 | 0 | 111.5 | G213 | V211-G213 VanDerWaalsContact C-N 3.27Å; V211-G213 PolarHBondContact O-N 2.9Å |
| 212 | G | 68.1 | Low | 72.8 | Confident | 74 Ų | 74 | 130.8 Ų | 130.8 | 76% | 0.763 | 74% | 0.738 | S | S | * | * | | | trans | -83.8 | 12.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | D210 | D210-G212 PolarHBondContact O-N 2.84Š|
| 213 | G | 65.9 | Low | 70.7 | Confident | 63 Ų | 63 | 131.1 Ų | 131.1 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | | | trans | -91.5 | 126.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V211 | V211-G213 VanDerWaalsContact C-N 3.27Å; V211-G213 PolarHBondContact O-N 2.9Å |
| 214 | E | 63.4 | Low | 68.7 | Low | 192 Ų | 192 | 127.2 Ų | 127.2 | 90% | 0.897 | 75% | 0.745 | S | S | * | * | | | trans | 56.8 | 67.8 | 155.4 | -156.3 | 168.6 | -176 | 0 | 0 | 117.2 | | |
| 215 | M | 61.8 | Low | 66.8 | Low | 191 Ų | 191 | 126.7 Ų | 126.7 | 94% | 0.941 | 76% | 0.755 | S | S | * | * | | | trans | -106 | 117.7 | 152.8 | -89.8 | -169.7 | 163.9 | 0 | 0 | 110.8 | | |
| 216 | T | 68 | Low | 64.8 | Low | 125 Ų | 125 | 133.2 Ų | 133.2 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | | | trans | -67.4 | 139.5 | 178.2 | -5 | 0 | 0 | 0 | 0 | 111.4 | M218 | T216-M218 PolarHBondContact O-N 3.38Å; T216-M218 VanDerWaalsContact O-N 3.09Å |
| 217 | P | 61.4 | Low | 62.9 | Low | 125 Ų | 125 | 135.4 Ų | 135.4 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | trans | -73 | 104.1 | 178.9 | 28.9 | -34.6 | 0 | 0 | 0 | 111.6 | | |
| 218 | M | 65.1 | Low | 61.3 | Low | 169 Ų | 169 | 138.5 Ų | 138.5 | 83% | 0.833 | 80% | 0.801 | S | S | * | * | | | trans | -74.9 | 135.9 | 162 | -76.5 | -73.5 | -73.2 | 0 | 0 | 109.7 | T216 | T216-M218 PolarHBondContact O-N 3.38Å; T216-M218 VanDerWaalsContact O-N 3.09Å |
| 219 | P | 65.6 | Low | 59.4 | Low | 107 Ų | 107 | 139.7 Ų | 139.7 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | | | trans | -70 | 157.4 | 178.7 | 30.2 | -35.1 | 0 | 0 | 0 | 111.9 | | |
| 220 | V | 53.7 | Low | 57.9 | Low | 135 Ų | 135 | 140.4 Ų | 140.4 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -94.4 | 103 | -179 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | A222 | V220-A222 PolarHBondContact O-N 2.95Š|
| 221 | D | 55 | Low | 56.4 | Low | 162 Ų | 162 | 141.2 Ų | 141.2 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | | | trans | -72.2 | 120.5 | 166 | -78 | -43.7 | 0 | 0 | 0 | 109.7 | | |
| 222 | A | 48.9 | Very low | 55.3 | Low | 86 Ų | 86 | 138.7 Ų | 138.7 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | | | trans | -120 | 89.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V220 | V220-A222 PolarHBondContact O-N 2.95Š|
| 223 | D | 47.5 | Very low | 54.2 | Low | 173 Ų | 173 | 145.8 Ų | 145.8 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | | | trans | -161.7 | 160.3 | 150.8 | -127.3 | -33.2 | 0 | 0 | 0 | 113.6 | | |
| 224 | G | 46.5 | Very low | 53.6 | Low | 59 Ų | 59 | 151 Ų | 151 | 61% | 0.608 | 83% | 0.83 | S | S | * | * | | | trans | 87.8 | 82.1 | 163 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 225 | L | 47.9 | Very low | 53 | Low | 176 Ų | 176 | 148.1 Ų | 148.1 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | | | | 172.6 | 108.1 | 107.8 | -89.9 | 163.6 | 0 | 0 | 0 | 111.8 | | |
| 226 | R | 45.7 | Very low | 52 | Low | 232 Ų | 232 | 142.3 Ų | 142.3 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | | | trans | -102.1 | 165.6 | 162.9 | -75 | -177.1 | 172.1 | -167.6 | -1 | 109.7 | | |
| 227 | K | 51.6 | Low | 51.1 | Low | 205 Ų | 205 | 144.4 Ų | 144.4 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | | | trans | 86.6 | 135.8 | -170 | -53.6 | 163.2 | -178 | 176.8 | 0 | 111.2 | | |
| 228 | S | 50.8 | Low | 51.1 | Low | 124 Ų | 124 | 144 Ų | 144 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | | | cis | -128.7 | 148.2 | 11.4 | -62.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 229 | A | 44 | Very low | 50.3 | Low | 100 Ų | 100 | 142.1 Ų | 142.1 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | | | trans | -151.7 | 117.6 | 168 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 230 | E | 51.4 | Low | 49.2 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 83% | 0.827 | 82% | 0.824 | S | S | * | * | | | trans | -158.5 | 153.2 | 172.4 | -131.2 | -172.4 | 143.4 | 0 | 0 | 112.1 | | |
| 231 | I | 49.8 | Very low | 49 | Very low | 161 Ų | 161 | 146.9 Ų | 146.9 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | | | trans | 61.5 | 112.1 | 165 | -53.6 | 163.3 | 0 | 0 | 0 | 116.2 | | |
| 232 | G | 49.7 | Very low | 48.5 | Very low | 76 Ų | 76 | 149.9 Ų | 149.9 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | | | trans | 158.3 | 25.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 233 | R | 43.8 | Very low | 48.1 | Very low | 224 Ų | 224 | 153.8 Ų | 153.8 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | | | trans | -77.5 | 133.3 | 173.5 | -80.8 | -168.4 | -178.7 | 168.3 | -0.6 | 111.3 | | |
| 234 | L | 54.9 | Low | 48.1 | Very low | 171 Ų | 171 | 151.9 Ų | 151.9 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | | | trans | -145.8 | 94.9 | 160.8 | -144.7 | 158.2 | 0 | 0 | 0 | 107.1 | | |
| 235 | D | 49.9 | Very low | 47.9 | Very low | 132 Ų | 132 | 158.1 Ų | 158.1 | 71% | 0.706 | 83% | 0.834 | S | S | * | * | | | trans | -77.7 | 154.2 | -173.2 | -63.8 | -75.6 | 0 | 0 | 0 | 112.2 | | |
| 236 | G | 41.4 | Very low | 47.9 | Very low | 69 Ų | 69 | 158.7 Ų | 158.7 | 71% | 0.711 | 83% | 0.832 | S | S | * | * | | | trans | 131.9 | 47.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 237 | L | 49.5 | Very low | 48.2 | Very low | 170 Ų | 170 | 156.8 Ų | 156.8 | 89% | 0.89 | 83% | 0.833 | S | S | * | * | | | trans | -142.1 | 126.4 | 152.8 | -77.1 | -177.6 | 0 | 0 | 0 | 111 | | |
| 238 | P | 60 | Low | 48.2 | Very low | 115 Ų | 115 | 155 Ų | 155 | 75% | 0.747 | 83% | 0.825 | S | S | * | * | | | trans | -84.6 | 153.8 | 179.5 | 33.2 | -34.4 | 0 | 0 | 0 | 113.3 | | |
| 239 | P | 48.1 | Very low | 47.9 | Very low | 131 Ų | 131 | 155 Ų | 155 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | | | trans | -77.9 | 150.5 | 178.2 | -9.7 | 27.6 | 0 | 0 | 0 | 112.8 | | |
| 240 | L | 43.9 | Very low | 48.5 | Very low | 173 Ų | 173 | 158.5 Ų | 158.5 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | | | trans | -115.9 | 70.1 | -170 | -145.1 | 176.3 | 0 | 0 | 0 | 112.6 | | |
| 241 | E | 49.6 | Very low | 47.9 | Very low | 168 Ų | 168 | 158 Ų | 158 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | | | trans | -137.8 | 146.1 | 167.1 | -72.4 | -164.8 | 173.7 | 0 | 0 | 111.9 | | |
| 242 | R | 43.1 | Very low | 48.1 | Very low | 226 Ų | 226 | 156 Ų | 156 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | | | trans | 81 | 78.9 | 171.7 | -51.8 | 177.9 | -173.6 | 162 | 3.3 | 118.8 | | |
| 243 | L | 41.1 | Very low | 47.8 | Very low | 168 Ų | 168 | 156.8 Ų | 156.8 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | | | trans | -124.6 | 119.2 | 133 | -82.4 | 144.5 | 0 | 0 | 0 | 104.8 | | |
| 244 | V | 47.9 | Very low | 47.8 | Very low | 132 Ų | 132 | 151.1 Ų | 151.1 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | | | | 73.9 | 137.8 | 60 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 245 | K | 42.6 | Very low | 47.3 | Very low | 191 Ų | 191 | 147.2 Ų | 147.2 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | | | trans | -77.8 | 174.6 | -170.5 | -66.7 | 171.5 | 170.9 | 178 | 0 | 112.9 | | |
| 246 | E | 46.5 | Very low | 47.3 | Very low | 187 Ų | 187 | 147.1 Ų | 147.1 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | 100.6 | 79 | 155.2 | -53.8 | -163.4 | 144.8 | 0 | 0 | 118.5 | | |
| 247 | E | 52.8 | Low | 47.7 | Very low | 192 Ų | 192 | 150.9 Ų | 150.9 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | | | trans | -163.6 | 126.5 | 142.9 | -106.2 | 174.2 | 152.8 | 0 | 0 | 105.6 | | |
| 248 | K | 51.3 | Low | 47.5 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | | | cis | 89.2 | 104.7 | 12.8 | -153.2 | 177.1 | -170.1 | -69.8 | 0 | 115.7 | | |
| 249 | D | 44.2 | Very low | 46.7 | Very low | 123 Ų | 123 | 146 Ų | 146 | 66% | 0.658 | 79% | 0.789 | S | S | * | * | | | trans | 54.5 | 116.2 | 158.5 | -46.6 | -20 | 0 | 0 | 0 | 119.8 | | |
| 250 | I | 56.6 | Low | 46.8 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 89% | 0.892 | 78% | 0.784 | S | S | * | * | | | trans | -173.6 | 132.3 | 138 | -96.3 | 150.4 | 0 | 0 | 0 | 108.7 | | |
| 251 | E | 39.6 | Very low | 47.1 | Very low | 166 Ų | 166 | 144.2 Ų | 144.2 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | -86 | 174.4 | 173.6 | -64.4 | -162.6 | 150 | 0 | 0 | 112.6 | | |
| 252 | P | 53.8 | Low | 46.9 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | | -138.7 | 135.3 | 95.9 | 36.3 | -24.3 | 0 | 0 | 0 | 116 | | |
| 253 | S | 44 | Very low | 47.2 | Very low | 93 Ų | 93 | 136.5 Ų | 136.5 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | | | | 35.3 | 136.2 | 112.1 | -143 | 0 | 0 | 0 | 0 | 118.9 | | |
| 254 | S | 42.9 | Very low | 47.1 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | | | cis | 177.7 | 134 | -7.8 | 43.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 255 | A | 45.7 | Very low | 47.2 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | -174.2 | 112.7 | 150.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 256 | V | 49.1 | Very low | 47.1 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | | | | 29 | 133.1 | 100.2 | -86.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 257 | D | 49.9 | Very low | 46.9 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | cis | -146.3 | 164.5 | 28 | -113.9 | -46.3 | 0 | 0 | 0 | 116.9 | | |
| 258 | A | 45.2 | Very low | 46.4 | Very low | 77 Ų | 77 | 133.1 Ų | 133.1 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | | | trans | 47.9 | 108.1 | 149.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 259 | S | 43.1 | Very low | 46 | Very low | 105 Ų | 105 | 130 Ų | 130 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | | 66.7 | 131.9 | 83.7 | 77.5 | 0 | 0 | 0 | 0 | 115 | | |
| 260 | T | 49.4 | Very low | 45.8 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | | | cis | -160.4 | -174.6 | 8.7 | 2.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 261 | D | 50.7 | Low | 45.2 | Very low | 145 Ų | 145 | 127 Ų | 127 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | | | cis | -152.2 | -165.6 | 13 | -140.5 | -53.3 | 0 | 0 | 0 | 112.7 | | |
| 262 | A | 45.3 | Very low | 45.9 | Very low | 70 Ų | 70 | 125.2 Ų | 125.2 | 58% | 0.579 | 77% | 0.773 | S | S | * | * | | | trans | -71 | 144.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 263 | N | 49.6 | Very low | 45.4 | Very low | 162 Ų | 162 | 124 Ų | 124 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | | | | -157.3 | 147.9 | 100.5 | -112.5 | -67.5 | 0 | 0 | 0 | 113.2 | | |
| 264 | T | 39.9 | Very low | 45.4 | Very low | 137 Ų | 137 | 125.1 Ų | 125.1 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | | | trans | -129.3 | 133.1 | 180 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 265 | A | 48.2 | Very low | 45.3 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | | | trans | -137.8 | 112.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 266 | K | 42.1 | Very low | 45.3 | Very low | 213 Ų | 213 | 129.7 Ų | 129.7 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | | | trans | -70.3 | 132 | 173.8 | -64.1 | 171.7 | -178.9 | 172.1 | 0 | 109.5 | | |
| 267 | R | 42.2 | Very low | 44.9 | Very low | 248 Ų | 248 | 130.4 Ų | 130.4 | 94% | 0.936 | 78% | 0.783 | S | S | * | * | | | trans | -147.6 | 127.5 | 147.5 | -125.8 | 175.1 | -177.8 | -161.9 | -2.3 | 112.3 | | |
| 268 | S | 42.3 | Very low | 44.3 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | trans | -88.7 | 169.6 | 177.8 | 56 | 0 | 0 | 0 | 0 | 111.6 | | |
| 269 | S | 42.1 | Very low | 44.4 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | | | trans | 51.4 | 104.2 | 143.7 | 60.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 270 | S | 40.9 | Very low | 44.3 | Very low | 116 Ų | 116 | 141 Ų | 141 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | | 179.8 | 124.2 | 108.1 | 58 | 0 | 0 | 0 | 0 | 111.9 | | |
| 271 | S | 43.7 | Very low | 43.8 | Very low | 116 Ų | 116 | 147.4 Ų | 147.4 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | | | trans | -82.5 | 131.3 | 168.1 | -57.5 | 0 | 0 | 0 | 0 | 110.3 | A273 | S271-A273 PolarHBondContact O-N 3.46Š|
| 272 | P | 54 | Low | 43.3 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | | | trans | -77.3 | 90.9 | 173.9 | 31 | -33.5 | 0 | 0 | 0 | 110.5 | S274 | P272-S274 PolarHBondContact O-N 2.91Š|
| 273 | A | 42.8 | Very low | 42.9 | Very low | 93 Ų | 93 | 147.6 Ų | 147.6 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | | | trans | -87.7 | 79.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110 | S271 R275 | S271-A273 PolarHBondContact O-N 3.46Å; A273-R275 PolarHBondContact O-N 3.4Å |
| 274 | S | 44.4 | Very low | 42.5 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | | | trans | -72.6 | 77.5 | 175 | 61.5 | 0 | 0 | 0 | 0 | 111 | P272 G276 | P272-S274 PolarHBondContact O-N 2.91Å; S274-G276 PolarHBondContact O-N 2.91Å; S274-G276 VanDerWaalsContact O-N 3.17Å |
| 275 | R | 40.2 | Very low | 42.4 | Very low | 226 Ų | 226 | 144.2 Ų | 144.2 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | | | trans | -74.4 | 96.6 | 168.7 | -168.9 | 178.4 | -168.1 | 170.3 | 1 | 107.2 | A273 D277 | A273-R275 PolarHBondContact O-N 3.4Å; R275-D277 PolarHBondContact O-N 3.42Å |
| 276 | G | 45.5 | Very low | 42 | Very low | 64 Ų | 64 | 145.2 Ų | 145.2 | 66% | 0.66 | 82% | 0.819 | S | S | * | * | | | trans | -70.5 | 125.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | S274 | S274-G276 PolarHBondContact O-N 2.91Å; S274-G276 VanDerWaalsContact O-N 3.17Å |
| 277 | D | 42.1 | Very low | 41.9 | Very low | 145 Ų | 145 | 141 Ų | 141 | 78% | 0.775 | 82% | 0.816 | S | S | * | * | | | trans | -70.3 | 138.8 | -176.8 | -65 | -62 | 0 | 0 | 0 | 111.9 | R275 | R275-D277 PolarHBondContact O-N 3.42Š|
| 278 | Y | 37.6 | Very low | 41.7 | Very low | 238 Ų | 238 | 132.8 Ų | 132.8 | 93% | 0.933 | 81% | 0.81 | S | S | * | * | | | trans | -98.4 | 93.6 | 176.1 | -116.7 | -86.9 | 0 | 0 | 0 | 107.5 | | |
| 279 | D | 45.7 | Very low | 41.5 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 81% | 0.807 | 82% | 0.815 | S | S | * | * | | | trans | -102.7 | 154.9 | 176.8 | -119.8 | -40.4 | 0 | 0 | 0 | 112.6 | | |
| 280 | H | 41.6 | Very low | 41.4 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 76% | 0.764 | 82% | 0.82 | S | S | * | * | | | trans | -64.6 | 137.4 | -173.3 | -100.8 | -115.3 | 0 | 0 | 0 | 113 | | |
| 281 | W | 39.6 | Very low | 41.8 | Very low | 254 Ų | 254 | 140.9 Ų | 140.9 | 96% | 0.962 | 82% | 0.819 | S | S | * | * | | | trans | -129.3 | 130.3 | 139.7 | -142.8 | -67.5 | 0 | 0 | 0 | 110.3 | | |
| 282 | S | 40.4 | Very low | 41.6 | Very low | 90 Ų | 90 | 144.5 Ų | 144.5 | 63% | 0.629 | 82% | 0.823 | S | S | * | * | | | trans | -81.2 | 152.4 | -167.6 | -60.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 283 | S | 36.7 | Very low | 41.1 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | | | trans | -57.3 | 133.9 | 169.8 | -48.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 284 | A | 39.6 | Very low | 41.1 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | | | trans | -135.3 | 128.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 285 | S | 37.8 | Very low | 40.9 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | | | trans | -74.5 | 143.8 | -171.1 | -47.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 286 | S | 40.5 | Very low | 41.3 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | | | trans | -145.1 | 105.8 | 154 | 61.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 287 | S | 39.8 | Very low | 41 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 87% | 0.867 | 83% | 0.832 | S | S | * | * | | | trans | -99.3 | 126.8 | 174.1 | 56.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 288 | G | 39.2 | Very low | 41.3 | Very low | 77 Ų | 77 | 139.7 Ų | 139.7 | 79% | 0.794 | 83% | 0.834 | S | S | * | * | | | trans | 159.7 | 151.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 289 | R | 37.4 | Very low | 41.8 | Very low | 219 Ų | 219 | 136.8 Ų | 136.8 | 83% | 0.826 | 84% | 0.835 | S | S | * | * | | | cis | -153.7 | 126.6 | -7.7 | -175.2 | -176 | -169.6 | 178.8 | 2.5 | 106.6 | | |
| 290 | A | 40.9 | Very low | 41.9 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | | | trans | -79.4 | 131.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 291 | E | 48.9 | Very low | 42.1 | Very low | 172 Ų | 172 | 131.3 Ų | 131.3 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | | | trans | -102.6 | 132.4 | 179.7 | -59.4 | -158.6 | 136.5 | 0 | 0 | 111.1 | | |
| 292 | H | 39.8 | Very low | 42.5 | Very low | 192 Ų | 192 | 127.8 Ų | 127.8 | 89% | 0.889 | 83% | 0.826 | S | S | * | * | | | trans | -108.1 | 106.2 | 177.3 | -97.7 | -66.6 | 0 | 0 | 0 | 109.6 | | |
| 293 | S | 42.1 | Very low | 43.1 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 90% | 0.895 | 84% | 0.839 | S | S | * | * | | | trans | -175.7 | 153 | 153.6 | -83.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 294 | A | 43 | Very low | 43.3 | Very low | 96 Ų | 96 | 131.7 Ų | 131.7 | 79% | 0.793 | 84% | 0.836 | S | S | * | * | | | cis | -131.2 | 173.1 | 3 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 295 | N | 40.5 | Very low | 43.9 | Very low | 156 Ų | 156 | 132.7 Ų | 132.7 | 83% | 0.834 | 84% | 0.837 | S | S | * | * | | | trans | -90.9 | -179.6 | 173.6 | -166.7 | 4.5 | 0 | 0 | 0 | 110.6 | | |
| 296 | V | 47.9 | Very low | 44.6 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | | | trans | 77.7 | 130.7 | -173.4 | -169.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 297 | G | 39 | Very low | 45 | Very low | 73 Ų | 73 | 138 Ų | 138 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | | | cis | 162.3 | 134.3 | -8.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 298 | G | 50.3 | Low | 45.4 | Very low | 79 Ų | 79 | 138.8 Ų | 138.8 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | | | trans | -178.5 | 130.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 299 | N | 48 | Very low | 45.7 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 95% | 0.947 | 81% | 0.81 | S | S | * | * | | | trans | -96.4 | 148.3 | -174.4 | -78 | -39.4 | 0 | 0 | 0 | 112.9 | | |
| 300 | G | 47.9 | Very low | 46.5 | Very low | 81 Ų | 81 | 134.8 Ų | 134.8 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | | | trans | -152.5 | 74.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 301 | T | 45.5 | Very low | 46.7 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 73% | 0.73 | 81% | 0.811 | S | S | * | * | | | trans | -63.8 | 159.3 | 169 | 44.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 302 | K | 47.1 | Very low | 46.7 | Very low | 180 Ų | 180 | 138.3 Ų | 138.3 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | | | cis | -166.4 | 161.3 | 8.8 | -118.9 | 158.9 | -170.3 | 172.1 | 0 | 108 | | |
| 303 | M | 52.2 | Low | 46.9 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 89% | 0.892 | 82% | 0.818 | S | S | * | * | | | | 159.2 | 146.4 | 126.8 | -84.5 | -59 | -114.3 | 0 | 0 | 111.1 | | |
| 304 | S | 42.1 | Very low | 47.1 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | | | trans | -139.8 | 140.6 | -162.7 | -45.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 305 | S | 51.5 | Low | 47.3 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | | | trans | -168.5 | 152.3 | 159.7 | -158.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 306 | K | 53.6 | Low | 48 | Very low | 168 Ų | 168 | 142.2 Ų | 142.2 | 73% | 0.73 | 82% | 0.821 | S | S | * | * | | | cis | 179.2 | 149.1 | -48.9 | 163.1 | 166.1 | -179 | 177.6 | 0 | 109 | | |
| 307 | R | 48.7 | Very low | 47.9 | Very low | 192 Ų | 192 | 139.3 Ų | 139.3 | 73% | 0.725 | 81% | 0.813 | S | S | * | * | | | trans | 69.8 | 155.6 | -179 | -66.6 | 171.9 | -166.6 | -97.1 | 11.6 | 114.6 | | |
| 308 | E | 48.9 | Very low | 48.4 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 66% | 0.659 | 82% | 0.82 | S | S | * | * | | | cis | -153.6 | 130.3 | -12.2 | -110.5 | 147.4 | -172.8 | 0 | 0 | 106.8 | | |
| 309 | A | 45.5 | Very low | 48 | Very low | 87 Ų | 87 | 147.6 Ų | 147.6 | 72% | 0.719 | 82% | 0.82 | S | S | * | * | | | | 80.9 | 104.1 | 74.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 310 | S | 53.7 | Low | 48 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | | | trans | -171 | 141.3 | 145.2 | -81.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 311 | D | 45.3 | Very low | 47.4 | Very low | 149 Ų | 149 | 150.8 Ų | 150.8 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | | | trans | -90.3 | 158.5 | -178.8 | -59.2 | -88.8 | 0 | 0 | 0 | 113.5 | | |
| 312 | Q | 48.9 | Very low | 47.7 | Very low | 194 Ų | 194 | 152.9 Ų | 152.9 | 91% | 0.907 | 82% | 0.822 | S | S | * | * | | | | -174.1 | 162 | 103.4 | -97 | -178.1 | 37.9 | 0 | 0 | 113.1 | | |
| 313 | Q | 43.7 | Very low | 47.1 | Very low | 199 Ų | 199 | 150.1 Ų | 150.1 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | | | trans | -105.9 | 143.9 | -171.2 | -61.5 | 175.6 | -4.9 | 0 | 0 | 112.2 | | |
| 314 | G | 46 | Very low | 46.9 | Very low | 81 Ų | 81 | 149.7 Ų | 149.7 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | trans | -147.2 | 129 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 315 | R | 47.8 | Very low | 46.6 | Very low | 248 Ų | 248 | 149.2 Ų | 149.2 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | | | trans | -115.9 | 161 | -173.5 | -100.5 | -166.6 | 171.4 | -162.7 | -0.6 | 113.3 | | |
| 316 | P | 53.8 | Low | 46.3 | Very low | 126 Ų | 126 | 149.5 Ų | 149.5 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -102.1 | 179.2 | -157.6 | 40.8 | -39.1 | 0 | 0 | 0 | 114.5 | | |
| 317 | A | 45.9 | Very low | 45.9 | Very low | 83 Ų | 83 | 146.8 Ų | 146.8 | 69% | 0.686 | 82% | 0.817 | S | S | * | * | | | trans | -144.3 | 129.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 318 | K | 50.1 | Low | 46 | Very low | 209 Ų | 209 | 143.1 Ų | 143.1 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | | | trans | 52.3 | 156.7 | 133.3 | -58.9 | 172.8 | -175.1 | 175.8 | 0 | 120.7 | | |
| 319 | S | 41.9 | Very low | 45.8 | Very low | 116 Ų | 116 | 146.6 Ų | 146.6 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | | | cis | 174.8 | 123.4 | -26.2 | 173.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 320 | A | 47.3 | Very low | 45.4 | Very low | 104 Ų | 104 | 146.9 Ų | 146.9 | 86% | 0.86 | 83% | 0.833 | S | S | * | * | | | trans | -167.4 | 145.4 | 155.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 321 | R | 36.4 | Very low | 45 | Very low | 222 Ų | 222 | 150.3 Ų | 150.3 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | | | trans | -152.3 | 131.2 | 172.9 | 166.8 | -170.2 | 174.1 | -169.2 | -0.3 | 106.8 | | |
| 322 | L | 50.3 | Low | 45.3 | Very low | 163 Ų | 163 | 149 Ų | 149 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | | | trans | -164.6 | 123 | 158.3 | -110.9 | 168.4 | 0 | 0 | 0 | 110.3 | | |
| 323 | D | 34.8 | Very low | 45.4 | Very low | 122 Ų | 122 | 145 Ų | 145 | 65% | 0.652 | 83% | 0.828 | S | S | * | * | | | trans | -75 | 159.4 | 160.4 | -56.1 | -87.8 | 0 | 0 | 0 | 110 | | |
| 324 | L | 48.1 | Very low | 45.4 | Very low | 171 Ų | 171 | 143 Ų | 143 | 90% | 0.895 | 82% | 0.822 | S | S | * | * | | | trans | -169.2 | 147 | 136.8 | -106.8 | 169.7 | 0 | 0 | 0 | 111 | | |
| 325 | S | 36.5 | Very low | 45.6 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | | | trans | -124.8 | 149.1 | -178.9 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 326 | S | 45.3 | Very low | 45.3 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | | | trans | -164 | 166.8 | 164.5 | 49.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 327 | S | 44.2 | Very low | 44.4 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | | | trans | -148.9 | -164.8 | -170.8 | -161.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 328 | P | 50.6 | Low | 44.4 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | | | | -113.5 | 176.1 | -92.9 | 38.9 | -26.7 | 0 | 0 | 0 | 113.7 | | |
| 329 | K | 44.8 | Very low | 44 | Very low | 214 Ų | 214 | 140 Ų | 140 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | | | trans | -156.5 | 157.2 | 159.1 | -133.2 | 161 | -174 | 170.1 | 0 | 113.2 | | |
| 330 | A | 37.2 | Very low | 44 | Very low | 93 Ų | 93 | 139.8 Ų | 139.8 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | | | trans | -142.4 | 157 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 331 | Q | 45.6 | Very low | 43.7 | Very low | 196 Ų | 196 | 142.4 Ų | 142.4 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | | | trans | -151.1 | 157.4 | 162.8 | -79.7 | -155.9 | -39.5 | 0 | 0 | 112.6 | | |
| 332 | P | 51 | Low | 44 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | | | trans | -132.3 | 170 | -173.1 | 43.4 | -28.3 | 0 | 0 | 0 | 117.4 | | |
| 333 | S | 52 | Low | 43.8 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | trans | -159.3 | 137.7 | 157.2 | 44.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 334 | I | 43.6 | Very low | 44 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | | | cis | 96.3 | 147.5 | 41.5 | -67.5 | 168.3 | 0 | 0 | 0 | 112 | | |
| 335 | V | 50.3 | Low | 43.8 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | | | trans | 87.8 | 126.8 | -175.7 | -175 | 0 | 0 | 0 | 0 | 114.1 | | |
| 336 | D | 40.7 | Very low | 43.9 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | | | cis | -154.6 | -177.8 | -12.1 | -136.7 | -48.5 | 0 | 0 | 0 | 113 | | |
| 337 | C | 35.7 | Very low | 44 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 72% | 0.723 | 79% | 0.792 | S | S | * | * | | | trans | -115.9 | 150.8 | -166.2 | -56.6 | 0 | 0 | 0 | 0 | 117.6 | | |
| 338 | K | 46.5 | Very low | 44.2 | Very low | 210 Ų | 210 | 141.6 Ų | 141.6 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | | | trans | 175.7 | 165.5 | 145.5 | -100 | 154.3 | -174.7 | 170.9 | 0 | 111.9 | | |
| 339 | A | 41.9 | Very low | 44.3 | Very low | 92 Ų | 92 | 141.8 Ų | 141.8 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | | | | 173.7 | 113.4 | -62.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 340 | S | 40.8 | Very low | 44.5 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | trans | -174.8 | 122.6 | 156.4 | 45.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 341 | L | 42.2 | Very low | 45 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | | | | 40.3 | 120 | 125 | -54.2 | 174.3 | 0 | 0 | 0 | 119.4 | | |
| 342 | S | 41.5 | Very low | 44.7 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | | | cis | 110.1 | 178.3 | 40 | 72.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 343 | P | 45.5 | Very low | 44.7 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 66% | 0.656 | 78% | 0.78 | S | S | * | * | | | | -139.5 | 179.5 | -86.7 | 44.5 | -27.1 | 0 | 0 | 0 | 117.2 | | |
| 344 | I | 39.8 | Very low | 44.4 | Very low | 153 Ų | 153 | 140.5 Ų | 140.5 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | trans | 56.5 | 122 | 145.8 | -69 | 158.5 | 0 | 0 | 0 | 121.5 | | |
| 345 | A | 44.4 | Very low | 44.3 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | | | trans | -161.4 | 129.1 | 139.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 346 | S | 38.3 | Very low | 43.9 | Very low | 99 Ų | 99 | 137 Ų | 137 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | | | cis | 99.3 | 89.6 | 4.5 | -157.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 347 | R | 47.7 | Very low | 43.8 | Very low | 233 Ų | 233 | 136 Ų | 136 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | | | trans | -166.2 | 116.9 | 146 | -95.5 | 149.4 | -160.8 | -101.2 | 3.5 | 107 | | |
| 348 | R | 47.5 | Very low | 43.9 | Very low | 222 Ų | 222 | 136.9 Ų | 136.9 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | | | | 67.6 | 133.6 | 80.2 | -71.3 | -167.2 | -179 | -166 | 1.6 | 112.4 | | |
| 349 | T | 54 | Low | 43.8 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | | | cis | -177.6 | -177.5 | 7.2 | 16.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 350 | P | 48.5 | Very low | 43.5 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | | | cis | -142.8 | 159.8 | -34.3 | 37.6 | -18.9 | 0 | 0 | 0 | 117.7 | | |
| 351 | K | 46.7 | Very low | 43.4 | Very low | 203 Ų | 203 | 132.2 Ų | 132.2 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | | | trans | 65.9 | 156.4 | 136.3 | -73 | 175.6 | 176.9 | -175.8 | 0 | 124.3 | | |
| 352 | S | 40.5 | Very low | 43.1 | Very low | 113 Ų | 113 | 130 Ų | 130 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | | | trans | 92.3 | 122.9 | 164.5 | -154.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 353 | M | 51.3 | Low | 42.9 | Very low | 157 Ų | 157 | 132 Ų | 132 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | | | cis | -153 | 164.4 | -3.4 | -111 | -79.3 | -78.1 | 0 | 0 | 112.2 | | |
| 354 | L | 45.1 | Very low | 42.5 | Very low | 134 Ų | 134 | 135 Ų | 135 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | | | trans | -39.8 | 160.6 | 165.9 | -75.6 | 161 | 0 | 0 | 0 | 116.8 | | |
| 355 | N | 41.7 | Very low | 42.4 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | | | cis | -167.9 | 175.1 | -13.1 | -158.4 | 13.6 | 0 | 0 | 0 | 112.3 | | |
| 356 | A | 40.7 | Very low | 42.2 | Very low | 70 Ų | 70 | 136.2 Ų | 136.2 | 58% | 0.579 | 76% | 0.757 | S | S | * | * | | | trans | -8.8 | 162.1 | 153.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 357 | T | 38.8 | Very low | 42.3 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | cis | -177 | 130.8 | -17.8 | -82.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 358 | T | 38.7 | Very low | 42 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | | | trans | -174.1 | 112.1 | 148.9 | 33.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 359 | S | 44 | Very low | 41.5 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | | | | 50.6 | 123.5 | 89.4 | 67.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 360 | S | 36.6 | Very low | 40.6 | Very low | 100 Ų | 100 | 126.3 Ų | 126.3 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | cis | -168.4 | 148.8 | 4 | 46.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 361 | S | 37.3 | Very low | 39.9 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | 44.9 | 129.6 | 155.7 | 59 | 0 | 0 | 0 | 0 | 119.8 | | |
| 362 | S | 36.2 | Very low | 39.6 | Very low | 114 Ų | 114 | 123.3 Ų | 123.3 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | cis | -160.3 | 131.5 | 14.2 | -175 | 0 | 0 | 0 | 0 | 110.6 | | |
| 363 | T | 36.6 | Very low | 39.4 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | | | trans | -157.4 | 118.9 | 179.1 | -26.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 364 | E | 37.8 | Very low | 38.8 | Very low | 165 Ų | 165 | 125.4 Ų | 125.4 | 77% | 0.771 | 77% | 0.768 | S | S | * | * | | | trans | -167.3 | 130 | 175.5 | -88.1 | -149.9 | 132.4 | 0 | 0 | 108.1 | | |
| 365 | W | 38.7 | Very low | 38.5 | Very low | 223 Ų | 223 | 125 Ų | 125 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | | | cis | -135.8 | 163.3 | -24.4 | -70.4 | 69.5 | 0 | 0 | 0 | 106.4 | | |
| 366 | G | 39.2 | Very low | 38.4 | Very low | 58 Ų | 58 | 124.2 Ų | 124.2 | 60% | 0.598 | 77% | 0.768 | S | S | * | * | | | cis | 137 | 65.2 | -4 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 367 | K | 41.7 | Very low | 38.2 | Very low | 210 Ų | 210 | 123.9 Ų | 123.9 | 91% | 0.913 | 77% | 0.772 | S | S | * | * | | | trans | 158.8 | 160.1 | 159.3 | -93.2 | 160 | -176 | -179.7 | 0 | 110.4 | | |
| 368 | A | 40.5 | Very low | 38.4 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | | | cis | 174.2 | 151.2 | -29 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 369 | G | 36.1 | Very low | 38.4 | Very low | 78 Ų | 78 | 124.8 Ų | 124.8 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | cis | 164.3 | 142.2 | -9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 370 | G | 36.1 | Very low | 38.2 | Very low | 79 Ų | 79 | 125.5 Ų | 125.5 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | | | trans | 75.5 | 129 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 371 | A | 34.4 | Very low | 38.3 | Very low | 100 Ų | 100 | 126.2 Ų | 126.2 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | | | cis | 93.2 | 149 | 10.3 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 372 | V | 38.9 | Very low | 38.3 | Very low | 141 Ų | 141 | 125 Ų | 125 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | | | trans | 82.2 | 115.2 | -173.4 | -172.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 373 | R | 36.6 | Very low | 38.4 | Very low | 201 Ų | 201 | 123.6 Ų | 123.6 | 76% | 0.758 | 79% | 0.793 | S | S | * | * | | | cis | 84.3 | 135.5 | 38.2 | -144.5 | -166.2 | 176 | 169.3 | 2.1 | 111.2 | E375 | R373-E375 IonicContact NE-OE1 2.67Š|
| 374 | V | 39.2 | Very low | 38.7 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 68% | 0.679 | 79% | 0.791 | S | S | * | * | | | cis | -151.7 | 152.5 | 42.1 | 174.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 375 | E | 38.6 | Very low | 39 | Very low | 127 Ų | 127 | 119.1 Ų | 119.1 | 59% | 0.593 | 80% | 0.795 | S | S | * | * | | | trans | -26.5 | 159.7 | 156.5 | -52.8 | 85.9 | -84.6 | 0 | 0 | 117.5 | R373 | R373-E375 IonicContact NE-OE1 2.67Š|
| 376 | S | 40.3 | Very low | 39.2 | Very low | 125 Ų | 125 | 115.1 Ų | 115.1 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | cis | -173.5 | -178.4 | -6 | -92.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 377 | G | 36.9 | Very low | 39.3 | Very low | 64 Ų | 64 | 116.8 Ų | 116.8 | 66% | 0.66 | 80% | 0.803 | S | S | * | * | | | cis | 164.3 | 171.5 | -2.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 378 | L | 41 | Very low | 39.1 | Very low | 175 Ų | 175 | 118.1 Ų | 118.1 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | | | trans | 73.5 | 152.1 | 171.3 | -50 | 173.2 | 0 | 0 | 0 | 118.9 | | |
| 379 | S | 40.4 | Very low | 39.3 | Very low | 93 Ų | 93 | 119.5 Ų | 119.5 | 65% | 0.65 | 80% | 0.802 | S | S | * | * | | | cis | -170.9 | 152.4 | -19.8 | -92 | 0 | 0 | 0 | 0 | 113.7 | | |
| 380 | S | 38.1 | Very low | 39.5 | Very low | 117 Ų | 117 | 120.1 Ų | 120.1 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | 61.3 | 155.1 | 157.5 | 47.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 381 | S | 40.5 | Very low | 39.7 | Very low | 116 Ų | 116 | 126 Ų | 126 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | | | cis | -171.4 | 149.4 | -15.7 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 382 | G | 37.3 | Very low | 39.9 | Very low | 88 Ų | 88 | 127 Ų | 127 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | | | trans | 88.7 | 155.9 | 166 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 383 | G | 37.5 | Very low | 40.3 | Very low | 86 Ų | 86 | 125.8 Ų | 125.8 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | | | cis | 167.6 | 128.9 | -10.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 384 | G | 43.7 | Very low | 41 | Very low | 79 Ų | 79 | 122.2 Ų | 122.2 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | | | trans | 150.4 | 141.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 385 | P | 43.6 | Very low | 41.4 | Very low | 131 Ų | 131 | 120.6 Ų | 120.6 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | -109.4 | 149.5 | -173.4 | 38.7 | -32.5 | 0 | 0 | 0 | 115.5 | | |
| 386 | T | 43.6 | Very low | 42.2 | Very low | 139 Ų | 139 | 119.5 Ų | 119.5 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | trans | -143.4 | 128.4 | 167.4 | 52.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 387 | A | 39.5 | Very low | 42.9 | Very low | 94 Ų | 94 | 116.7 Ų | 116.7 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | | | trans | 34.8 | 107 | 156.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 388 | Y | 38.9 | Very low | 44.2 | Very low | 238 Ų | 238 | 116.9 Ų | 116.9 | 93% | 0.933 | 77% | 0.773 | S | S | * | * | | | trans | -76 | 125.1 | 157.8 | -92.6 | -95.9 | 0 | 0 | 0 | 111 | | |
| 389 | V | 43.7 | Very low | 45.7 | Very low | 126 Ų | 126 | 111.7 Ų | 111.7 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | | | trans | -108 | 120 | 162.3 | 176.3 | 0 | 0 | 0 | 0 | 108.3 | K391 | V389-K391 PolarHBondContact O-N 3.26Š|
| 390 | A | 39.6 | Very low | 47.2 | Very low | 92 Ų | 92 | 110.3 Ų | 110.3 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | | | trans | -67.2 | 126.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 391 | K | 41.5 | Very low | 48.9 | Very low | 201 Ų | 201 | 107.3 Ų | 107.3 | 87% | 0.874 | 73% | 0.732 | S | S | * | * | | | trans | -140.6 | 47.6 | 179.9 | -151.5 | 171.2 | -171.8 | 175.1 | 0 | 111.9 | V389 | V389-K391 PolarHBondContact O-N 3.26Š|
| 392 | T | 37.7 | Very low | 51.1 | Low | 121 Ų | 121 | 105.9 Ų | 105.9 | 74% | 0.742 | 72% | 0.715 | S | S | * | * | | | trans | -124.3 | 87.7 | -169.1 | 25.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 393 | T | 48.6 | Very low | 53.5 | Low | 117 Ų | 117 | 105.2 Ų | 105.2 | 72% | 0.718 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -147.1 | -20.4 | 170.2 | -28.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 394 | T | 50.1 | Low | 55.9 | Low | 126 Ų | 126 | 106.2 Ų | 106.2 | 77% | 0.773 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -87.8 | -28.9 | -176.2 | -32.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 395 | A | 48.9 | Very low | 58 | Low | 77 Ų | 77 | 108.8 Ų | 108.8 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.5 | -40.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A397 A398 A399 | A395-A397 VanDerWaalsContact C-N 3.33Å; A395-A397 PolarHBondContact O-N 2.93Å; A395-A398 PolarHBondContact O-N 3.12Å; A395-A399 PolarHBondContact O-N 2.92Å |
| 396 | T | 55.3 | Low | 60.1 | Low | 105 Ų | 105 | 107.6 Ų | 107.6 | 64% | 0.644 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -66 | -32.7 | -179.9 | 25.2 | 0 | 0 | 0 | 0 | 113 | A399 A400 | T396-A399 PolarHBondContact O-N 3.34Å; T396-A400 PolarHBondContact O-N 3.48Å |
| 397 | A | 53.9 | Low | 62 | Low | 66 Ų | 66 | 108.6 Ų | 108.6 | 55% | 0.545 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -65.5 | -37.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A395 A401 | A395-A397 VanDerWaalsContact C-N 3.33Å; A395-A397 PolarHBondContact O-N 2.93Å; A397-A401 PolarHBondContact O-N 3.42Å; A397-A401 VanDerWaalsContact O-N 3.13Å |
| 398 | A | 65.5 | Low | 64.1 | Low | 68 Ų | 68 | 109.5 Ų | 109.5 | 56% | 0.562 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69 | -38.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A395 N402 | A395-A398 PolarHBondContact O-N 3.12Å; A398-N402 PolarHBondContact O-N 3.44Å |
| 399 | A | 71.6 | Confident | 66.1 | Low | 65 Ų | 65 | 104.9 Ų | 104.9 | 54% | 0.537 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.1 | -45.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A395 T396 A401 N402 D403 | A395-A399 PolarHBondContact O-N 2.92Å; T396-A399 PolarHBondContact O-N 3.34Å; A399-A401 PolarHBondContact O-N 2.88Å; A399-N402 PolarHBondContact O-N 2.9Å; A399-D403 PolarHBondContact O-N 2.96Å; A399-D403 VanDerWaalsContact O-N 3.1Å |
| 400 | A | 71.8 | Confident | 67.8 | Low | 64 Ų | 64 | 105.2 Ų | 105.2 | 53% | 0.529 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.1 | -35 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T396 L404 | T396-A400 PolarHBondContact O-N 3.48Å; A400-L404 PolarHBondContact O-N 2.94Å |
| 401 | A | 74.8 | Confident | 69.4 | Low | 54 Ų | 54 | 104.5 Ų | 104.5 | 45% | 0.446 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.9 | -40.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A397 A399 L404 E405 | A397-A401 PolarHBondContact O-N 3.42Å; A397-A401 VanDerWaalsContact O-N 3.13Å; A399-A401 PolarHBondContact O-N 2.88Å; A401-L404 PolarHBondContact O-N 3.42Å; A401-E405 PolarHBondContact O-N 3.15Å; A401-E405 VanDerWaalsContact O-N 3.07Å |
| 402 | N | 86 | Confident | 70.8 | Confident | 87 Ų | 87 | 99.6 Ų | 99.6 | 47% | 0.465 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.1 | -42.5 | -179.5 | -164.8 | -15.2 | 0 | 0 | 0 | 112.2 | A398 A399 L404 E405 Q406 | A398-N402 PolarHBondContact O-N 3.44Å; A399-N402 PolarHBondContact O-N 2.9Å; N402-L404 VanDerWaalsContact C-N 3.29Å; N402-L404 PolarHBondContact O-N 3.39Å; N402-E405 PolarHBondContact O-N 3.1Å; N402-Q406 WeakPolarHBondContact O-CG 3.44Å; N402-Q406 PolarHBondContact O-N 2.95Å; N402-Q406 PolarHBondContact OD1-NE2 3.15Å |
| 403 | D | 88.4 | Confident | 72 | Confident | 74 Ų | 74 | 101.9 Ų | 101.9 | 40% | 0.396 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -58.9 | -40.2 | 172.1 | 174.5 | 63.6 | 0 | 0 | 0 | 111.7 | A399 Q406 R407 | A399-D403 PolarHBondContact O-N 2.96Å; A399-D403 VanDerWaalsContact O-N 3.1Å; D403-Q406 PolarHBondContact O-N 2.9Å; D403-R407 VanDerWaalsContact CG-NE 3.27Å; D403-R407 WeakPolarHBondContact O-CB 3.33Å; D403-R407 WeakPolarHBondContact O-CG 3.42Å; D403-R407 PolarHBondContact O-N 3.32Å; D403-R407 IonicContact OD1-CZ 2.64Å; D403-R407 IonicContact OD1-NE 2.96Å; D403-R407 PolarHBondContact OD1-NE 2.81Å; D403-R407 IonicContact OD1-NH2 3.21Å; D403-R407 WeakPolarHBondContact OD2-CD 3.48Å; D403-R407 IonicContact OD2-CZ 2.66Å; D403-R407 IonicContact OD2-NE 3.69Å; D403-R407 PolarHBondContact OD2-NE 3.15Å; D403-R407 IonicContact OD2-NH2 3.08Å |
| 404 | L | 87.6 | Confident | 72.2 | Confident | 107 Ų | 107 | 99.3 Ų | 99.3 | 56% | 0.56 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.3 | -43.2 | 177.1 | -171.3 | 66.5 | 0 | 0 | 0 | 112.5 | A400 A401 N402 R407 L408 | A400-L404 PolarHBondContact O-N 2.94Å; A401-L404 PolarHBondContact O-N 3.42Å; N402-L404 VanDerWaalsContact C-N 3.29Å; N402-L404 PolarHBondContact O-N 3.39Å; L404-R407 PolarHBondContact O-N 3.38Å; L404-L408 HydrophobicContact CG-CD1 4.25Å; L404-L408 WeakPolarHBondContact O-CB 3.42Å; L404-L408 WeakPolarHBondContact O-CG 3.38Å; L404-L408 PolarHBondContact O-N 3.21Å |
| 405 | E | 87.7 | Confident | 71.8 | Confident | 132 Ų | 132 | 98.2 Ų | 98.2 | 62% | 0.617 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.2 | -40.7 | 175.5 | -73.8 | -166.7 | 143.3 | 0 | 0 | 112.1 | A401 N402 L408 F409 | A401-E405 PolarHBondContact O-N 3.15Å; A401-E405 VanDerWaalsContact O-N 3.07Å; N402-E405 PolarHBondContact O-N 3.1Å; E405-L408 PolarHBondContact O-N 3.3Å; E405-F409 WeakPolarHBondContact O-CB 3.32Å; E405-F409 PolarHBondContact O-N 3.07Å |
| 406 | Q | 87.3 | Confident | 71.7 | Confident | 107 Ų | 107 | 101.1 Ų | 101.1 | 50% | 0.5 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.6 | -44.1 | 175.7 | -71.4 | 180 | 38.8 | 0 | 0 | 111.9 | N402 D403 L408 F409 L410 | N402-Q406 WeakPolarHBondContact O-CG 3.44Å; N402-Q406 PolarHBondContact O-N 2.95Å; N402-Q406 PolarHBondContact OD1-NE2 3.15Å; D403-Q406 PolarHBondContact O-N 2.9Å; Q406-L408 PolarHBondContact O-N 2.91Å; Q406-F409 PolarHBondContact O-N 3.4Å; Q406-L410 WeakPolarHBondContact O-CB 3.35Å; Q406-L410 WeakPolarHBondContact O-CG 3.35Å; Q406-L410 PolarHBondContact O-N 2.77Å |
| 407 | R | 84.4 | Confident | 71.3 | Confident | 160 Ų | 160 | 99.8 Ų | 99.8 | 60% | 0.604 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61.5 | -41.4 | 175.4 | -74.4 | 171 | 177.5 | -136 | -4.4 | 112.3 | D403 L404 A411 | D403-R407 VanDerWaalsContact CG-NE 3.27Å; D403-R407 WeakPolarHBondContact O-CB 3.33Å; D403-R407 WeakPolarHBondContact O-CG 3.42Å; D403-R407 PolarHBondContact O-N 3.32Å; D403-R407 IonicContact OD1-CZ 2.64Å; D403-R407 IonicContact OD1-NE 2.96Å; D403-R407 PolarHBondContact OD1-NE 2.81Å; D403-R407 IonicContact OD1-NH2 3.21Å; D403-R407 WeakPolarHBondContact OD2-CD 3.48Å; D403-R407 IonicContact OD2-CZ 2.66Å; D403-R407 IonicContact OD2-NE 3.69Å; D403-R407 PolarHBondContact OD2-NE 3.15Å; D403-R407 IonicContact OD2-NH2 3.08Å; L404-R407 PolarHBondContact O-N 3.38Å; R407-A411 WeakPolarHBondContact O-CB 3.36Å; R407-A411 PolarHBondContact O-N 2.94Å |
| 408 | L | 82.9 | Confident | 70.9 | Confident | 113 Ų | 113 | 103.1 Ų | 103.1 | 59% | 0.592 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66 | -40.2 | 174.8 | -74.9 | 167.9 | 0 | 0 | 0 | 112.1 | L404 E405 Q406 S412 | L404-L408 HydrophobicContact CG-CD1 4.25Å; L404-L408 WeakPolarHBondContact O-CB 3.42Å; L404-L408 WeakPolarHBondContact O-CG 3.38Å; L404-L408 PolarHBondContact O-N 3.21Å; E405-L408 PolarHBondContact O-N 3.3Å; Q406-L408 PolarHBondContact O-N 2.91Å; L408-S412 VanDerWaalsContact O-CB 3.23Å; L408-S412 WeakPolarHBondContact O-CB 3.47Å; L408-S412 PolarHBondContact O-N 3.08Å |
| 409 | F | 80.2 | Confident | 70.1 | Confident | 141 Ų | 141 | 106 Ų | 106 | 62% | 0.618 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.2 | -38.8 | 176.1 | -106.6 | -76 | 0 | 0 | 0 | 113.3 | E405 Q406 S412 K413 | E405-F409 WeakPolarHBondContact O-CB 3.32Å; E405-F409 PolarHBondContact O-N 3.07Å; Q406-F409 PolarHBondContact O-N 3.4Å; F409-S412 PolarHBondContact O-N 2.65Å; F409-K413 PolarHBondContact O-N 2.96Å |
| 410 | L | 79.9 | Confident | 68.7 | Low | 132 Ų | 132 | 106.3 Ų | 106.3 | 69% | 0.691 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.1 | -47.8 | 175.2 | -73.2 | 165.6 | 0 | 0 | 0 | 111 | Q406 S412 K413 G414 | Q406-L410 WeakPolarHBondContact O-CB 3.35Å; Q406-L410 WeakPolarHBondContact O-CG 3.35Å; Q406-L410 PolarHBondContact O-N 2.77Å; L410-S412 VanDerWaalsContact C-N 3.26Å; L410-S412 PolarHBondContact O-N 3.09Å; L410-K413 PolarHBondContact O-N 3.27Å; L410-K413 VanDerWaalsContact O-N 3.12Å; L410-G414 PolarHBondContact O-N 3.09Å |
| 411 | A | 72.4 | Confident | 67.1 | Low | 78 Ų | 78 | 113.7 Ų | 113.7 | 65% | 0.645 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -58.7 | -37.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R407 K413 | R407-A411 WeakPolarHBondContact O-CB 3.36Å; R407-A411 PolarHBondContact O-N 2.94Å; A411-K413 VanDerWaalsContact C-N 3.27Å; A411-K413 PolarHBondContact O-N 3.02Å |
| 412 | S | 71.4 | Confident | 65.5 | Low | 98 Ų | 98 | 119.7 Ų | 119.7 | 69% | 0.685 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -11.9 | 178.4 | -173.8 | 0 | 0 | 0 | 0 | 114.8 | L408 F409 L410 | L408-S412 VanDerWaalsContact O-CB 3.23Å; L408-S412 WeakPolarHBondContact O-CB 3.47Å; L408-S412 PolarHBondContact O-N 3.08Å; F409-S412 PolarHBondContact O-N 2.65Å; L410-S412 VanDerWaalsContact C-N 3.26Å; L410-S412 PolarHBondContact O-N 3.09Å |
| 413 | K | 63.1 | Low | 63.4 | Low | 169 Ų | 169 | 123.7 Ų | 123.7 | 74% | 0.735 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | -9.2 | -178.4 | -76.4 | -173 | 172.8 | -175.1 | 0 | 114.6 | F409 L410 A411 | F409-K413 PolarHBondContact O-N 2.96Å; L410-K413 PolarHBondContact O-N 3.27Å; L410-K413 VanDerWaalsContact O-N 3.12Å; A411-K413 VanDerWaalsContact C-N 3.27Å; A411-K413 PolarHBondContact O-N 3.02Å |
| 414 | G | 53.3 | Low | 61.5 | Low | 63 Ų | 63 | 126.1 Ų | 126.1 | 65% | 0.649 | 69% | 0.693 | S | S | * | * | | | trans | -86.5 | -5.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | L410 | L410-G414 PolarHBondContact O-N 3.09Š|
| 415 | S | 42.3 | Very low | 59.4 | Low | 102 Ų | 102 | 128.6 Ų | 128.6 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | | | trans | -104.9 | 88.8 | -173.2 | -164.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 416 | T | 45.5 | Very low | 57.6 | Low | 138 Ų | 138 | 130 Ų | 130 | 85% | 0.847 | 71% | 0.711 | S | S | * | * | | | trans | -98.6 | 20.9 | 167 | 51.3 | 0 | 0 | 0 | 0 | 112.4 | T418 | T416-T418 PolarHBondContact O-N 3.48Š|
| 417 | A | 47.8 | Very low | 56 | Low | 78 Ų | 78 | 130.4 Ų | 130.4 | 65% | 0.645 | 71% | 0.712 | S | S | * | * | | | trans | -78.3 | 114.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | P419 | A417-P419 WeakPolarHBondContact O-CD 3.49Š|
| 418 | T | 45.4 | Very low | 54.1 | Low | 135 Ų | 135 | 130.2 Ų | 130.2 | 83% | 0.828 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 116.4 | 173.6 | 48.2 | 0 | 0 | 0 | 0 | 110.5 | T416 A420 | T416-T418 PolarHBondContact O-N 3.48Å; T418-A420 PolarHBondContact O-N 3.37Å |
| 419 | P | 48.1 | Very low | 52.8 | Low | 128 Ų | 128 | 132.4 Ų | 132.4 | 83% | 0.831 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 126.9 | 176.1 | 28.9 | -32.9 | 0 | 0 | 0 | 109.8 | A417 | A417-P419 WeakPolarHBondContact O-CD 3.49Š|
| 420 | A | 43.4 | Very low | 51.1 | Low | 72 Ų | 72 | 132.9 Ų | 132.9 | 60% | 0.595 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 159.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T418 F422 | T418-A420 PolarHBondContact O-N 3.37Å; A420-F422 VanDerWaalsContact C-N 3.32Å; A420-F422 HydrophobicContact CB-CD2 4.29Å; A420-F422 HydrophobicContact CB-CE2 4.01Å; A420-F422 WeakPolarHBondContact O-CD2 3.39Å; A420-F422 PolarHBondContact O-N 2.95Å |
| 421 | Y | 37.7 | Very low | 50 | Low | 219 Ų | 219 | 134.6 Ų | 134.6 | 86% | 0.859 | 73% | 0.734 | S | S | * | * | | | trans | -74.6 | 73.4 | -168.7 | -152.8 | -92.3 | 0 | 0 | 0 | 112.7 | | |
| 422 | F | 40.6 | Very low | 48.8 | Very low | 180 Ų | 180 | 136.4 Ų | 136.4 | 79% | 0.789 | 74% | 0.736 | S | S | * | * | | | trans | -87.9 | 118 | 178.5 | -78.4 | -76.7 | 0 | 0 | 0 | 112.3 | A420 T424 | A420-F422 VanDerWaalsContact C-N 3.32Å; A420-F422 HydrophobicContact CB-CD2 4.29Å; A420-F422 HydrophobicContact CB-CE2 4.01Å; A420-F422 WeakPolarHBondContact O-CD2 3.39Å; A420-F422 PolarHBondContact O-N 2.95Å; F422-T424 PolarHBondContact O-N 2.93Å; F422-T424 VanDerWaalsContact O-N 3.13Å |
| 423 | H | 42.9 | Very low | 47.9 | Very low | 172 Ų | 172 | 139.3 Ų | 139.3 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | | | trans | -66.3 | 105.8 | 169 | -82.7 | -93 | 0 | 0 | 0 | 110.4 | E425 | H423-E425 PolarHBondContact O-N 2.92Š|
| 424 | T | 46.9 | Very low | 47 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 76% | 0.761 | 74% | 0.736 | S | S | * | * | | | trans | -76.6 | 97.8 | 168.3 | 50.4 | 0 | 0 | 0 | 0 | 109.8 | F422 M426 | F422-T424 PolarHBondContact O-N 2.93Å; F422-T424 VanDerWaalsContact O-N 3.13Å; T424-M426 PolarHBondContact O-N 3.23Å; T424-M426 VanDerWaalsContact O-N 3.08Å |
| 425 | E | 45.3 | Very low | 46.8 | Very low | 160 Ų | 160 | 142 Ų | 142 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | | | trans | -66.5 | 105.4 | 176 | -169.4 | 174.1 | 175.4 | 0 | 0 | 110.8 | H423 H427 | H423-E425 PolarHBondContact O-N 2.92Å; E425-H427 PolarHBondContact O-N 3.45Å; E425-H427 IonicContact OE1-CE1 3.7Å; E425-H427 PolarHBondContact OE1-CE1 2.92Å; E425-H427 VanDerWaalsContact OE1-CE1 3.22Å; E425-H427 IonicContact OE1-ND1 3.83Å |
| 426 | M | 48.9 | Very low | 46.8 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 80% | 0.798 | 74% | 0.74 | S | S | * | * | | | trans | -75.7 | 79.7 | -176.7 | -85.1 | -79.8 | -70.2 | 0 | 0 | 111.9 | T424 Q428 | T424-M426 PolarHBondContact O-N 3.23Å; T424-M426 VanDerWaalsContact O-N 3.08Å; M426-Q428 PolarHBondContact O-N 3.34Å |
| 427 | H | 54.6 | Low | 46.8 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 53% | 0.532 | 74% | 0.736 | S | S | . | * | | | trans | -65.6 | 92.7 | 169.7 | -82.2 | 8.6 | 0 | 0 | 0 | 111.5 | E425 H429 | E425-H427 PolarHBondContact O-N 3.45Å; E425-H427 IonicContact OE1-CE1 3.7Å; E425-H427 PolarHBondContact OE1-CE1 2.92Å; E425-H427 VanDerWaalsContact OE1-CE1 3.22Å; E425-H427 IonicContact OE1-ND1 3.83Å; H427-H429 PolarHBondContact O-N 2.81Å; H427-H429 VanDerWaalsContact O-N 3.15Å |
| 428 | Q | 43.3 | Very low | 47.3 | Very low | 156 Ų | 156 | 149 Ų | 149 | 73% | 0.729 | 74% | 0.74 | S | S | * | * | | | trans | -79.5 | 91.6 | -178.7 | -173.8 | -179.9 | 69.9 | 0 | 0 | 111.6 | M426 Q430 | M426-Q428 PolarHBondContact O-N 3.34Å; Q428-Q430 PolarHBondContact O-N 2.94Å |
| 429 | H | 56.8 | Low | 47.2 | Very low | 159 Ų | 159 | 152.1 Ų | 152.1 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | | | trans | -65.8 | 104.5 | 175.5 | -67.8 | -51.9 | 0 | 0 | 0 | 112.5 | H427 H431 | H427-H429 PolarHBondContact O-N 2.81Å; H427-H429 VanDerWaalsContact O-N 3.15Å; H429-H431 PolarHBondContact O-N 2.93Å |
| 430 | Q | 43.8 | Very low | 47.7 | Very low | 151 Ų | 151 | 153.4 Ų | 153.4 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | | | trans | -77.8 | 116.3 | 170.4 | -66.9 | -173.4 | 2.2 | 0 | 0 | 111.1 | Q428 T432 | Q428-Q430 PolarHBondContact O-N 2.94Å; Q430-T432 PolarHBondContact O-N 3.18Å |
| 431 | H | 56.5 | Low | 48.2 | Very low | 168 Ų | 168 | 154.1 Ų | 154.1 | 78% | 0.778 | 74% | 0.74 | S | S | * | * | | | trans | -88.7 | 97.5 | 168.2 | -72.9 | -58.6 | 0 | 0 | 0 | 111.1 | H429 H433 | H429-H431 PolarHBondContact O-N 2.93Å; H431-H433 PolarHBondContact O-N 2.86Å |
| 432 | T | 47 | Very low | 48.5 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | trans | -81.2 | 96.6 | 176 | 42.6 | 0 | 0 | 0 | 0 | 111.6 | Q430 M434 | Q430-T432 PolarHBondContact O-N 3.18Å; T432-M434 VanDerWaalsContact C-N 3.34Å; T432-M434 PolarHBondContact O-N 3.45Å |
| 433 | H | 52.3 | Low | 48.9 | Very low | 160 Ų | 160 | 149.2 Ų | 149.2 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | | | trans | -73.1 | 85 | 173.5 | -89 | -70.9 | 0 | 0 | 0 | 112.2 | H431 H435 | H431-H433 PolarHBondContact O-N 2.86Å; H433-H435 PolarHBondContact O-N 3.39Å |
| 434 | M | 44.6 | Very low | 48.8 | Very low | 137 Ų | 137 | 149.9 Ų | 149.9 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | | | trans | -63.7 | 95.4 | 169.8 | -95.5 | -68.6 | -70.3 | 0 | 0 | 111.4 | T432 Q436 | T432-M434 VanDerWaalsContact C-N 3.34Å; T432-M434 PolarHBondContact O-N 3.45Å; M434-Q436 HydrophobicContact CE-CB 4.01Å; M434-Q436 HydrophobicContact CE-CG 3.97Å; M434-Q436 PolarHBondContact O-N 2.88Å |
| 435 | H | 49.1 | Very low | 48.4 | Very low | 152 Ų | 152 | 149 Ų | 149 | 70% | 0.704 | 74% | 0.741 | S | S | * | * | | | trans | -79.3 | 68.8 | 169.6 | -81.5 | -74.3 | 0 | 0 | 0 | 111.4 | H433 Y437 | H433-H435 PolarHBondContact O-N 3.39Å; H435-Y437 PolarHBondContact O-N 3.04Å |
| 436 | Q | 43.1 | Very low | 48.4 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | | | trans | -77.3 | 90.5 | 177.8 | -148.7 | 166.9 | 12.7 | 0 | 0 | 110.5 | M434 P438 | M434-Q436 HydrophobicContact CE-CB 4.01Å; M434-Q436 HydrophobicContact CE-CG 3.97Å; M434-Q436 PolarHBondContact O-N 2.88Å; Q436-P438 WeakPolarHBondContact O-CD 3.24Å |
| 437 | Y | 44.8 | Very low | 47.9 | Very low | 193 Ų | 193 | 146.6 Ų | 146.6 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | | | trans | -75.5 | 119 | 167.9 | -84.2 | -92.1 | 0 | 0 | 0 | 109.8 | H435 F439 | H435-Y437 PolarHBondContact O-N 3.04Å; Y437-F439 PolarHBondContact O-N 3.34Å; Y437-F439 VanDerWaalsContact O-N 3.17Å |
| 438 | P | 58.2 | Low | 47.5 | Very low | 112 Ų | 112 | 148 Ų | 148 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | trans | -72.7 | 107.7 | 169 | 29.3 | -31.9 | 0 | 0 | 0 | 109.4 | Q436 L440 | Q436-P438 WeakPolarHBondContact O-CD 3.24Å; P438-L440 PolarHBondContact O-N 3.09Å |
| 439 | F | 43.7 | Very low | 47.2 | Very low | 202 Ų | 202 | 143.8 Ų | 143.8 | 89% | 0.886 | 75% | 0.752 | S | S | * | * | | | trans | -63.3 | 113.9 | 163.3 | -95.9 | -101.5 | 0 | 0 | 0 | 108.7 | Y437 | Y437-F439 PolarHBondContact O-N 3.34Å; Y437-F439 VanDerWaalsContact O-N 3.17Å |
| 440 | L | 58.2 | Low | 46.6 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | | | trans | -96.6 | 128.3 | 165.7 | -78 | 170 | 0 | 0 | 0 | 109.1 | P438 | P438-L440 PolarHBondContact O-N 3.09Š|
| 441 | P | 53.8 | Low | 46.9 | Very low | 87 Ų | 87 | 143.6 Ų | 143.6 | 57% | 0.565 | 76% | 0.757 | S | S | * | * | | | trans | -77.8 | 151.3 | -177.7 | 32.2 | -35.5 | 0 | 0 | 0 | 111.9 | F443 | P441-F443 HydrophobicContact CB-CD2 3.99Å; P441-F443 HydrophobicContact CB-CE2 4.04Å; P441-F443 HydrophobicContact CG-CD2 4.05Å; P441-F443 HydrophobicContact CG-CE2 4.28Å; P441-F443 PolarHBondContact O-N 3.38Å |
| 442 | P | 45 | Very low | 46.1 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | | | trans | -78.6 | 107.5 | 177 | 31.4 | -32.6 | 0 | 0 | 0 | 110.7 | | |
| 443 | F | 48.2 | Very low | 46.1 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | trans | -123.2 | 119.3 | 173.5 | -87.9 | -89 | 0 | 0 | 0 | 113.1 | P441 | P441-F443 HydrophobicContact CB-CD2 3.99Å; P441-F443 HydrophobicContact CB-CE2 4.04Å; P441-F443 HydrophobicContact CG-CD2 4.05Å; P441-F443 HydrophobicContact CG-CE2 4.28Å; P441-F443 PolarHBondContact O-N 3.38Å |
| 444 | F | 41.6 | Very low | 45.7 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | | | trans | -6.6 | 131 | 163.7 | -60.3 | -91.6 | 0 | 0 | 0 | 118.5 | P446 | F444-P446 WeakPolarHBondContact O-CD 3.42Š|
| 445 | A | 38.5 | Very low | 45.8 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | -78.7 | 126.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 446 | P | 43.8 | Very low | 46 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | | | trans | -94.6 | 136.9 | 165.2 | 36.1 | -30.8 | 0 | 0 | 0 | 110.8 | F444 I448 | F444-P446 WeakPolarHBondContact O-CD 3.42Å; P446-I448 HydrophobicContact CB-CD1 3.81Å; P446-I448 HydrophobicContact CG-CD1 4.32Å; P446-I448 PolarHBondContact O-N 3.1Å |
| 447 | N | 38.9 | Very low | 46.3 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | trans | -84.6 | 92.2 | -178.1 | -175 | 23.2 | 0 | 0 | 0 | 111.3 | | |
| 448 | I | 46.6 | Very low | 46.3 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | | | trans | -127 | 134.1 | 172.4 | -70.2 | 90 | 0 | 0 | 0 | 109.2 | P446 | P446-I448 HydrophobicContact CB-CD1 3.81Å; P446-I448 HydrophobicContact CG-CD1 4.32Å; P446-I448 PolarHBondContact O-N 3.1Å |
| 449 | G | 37.5 | Very low | 46 | Very low | 69 Ų | 69 | 138 Ų | 138 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 162.1 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 450 | F | 43.7 | Very low | 45.9 | Very low | 207 Ų | 207 | 133.2 Ų | 133.2 | 91% | 0.908 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 146.3 | 169 | -83.6 | -100.8 | 0 | 0 | 0 | 111.6 | | |
| 451 | P | 49.3 | Very low | 45.7 | Very low | 98 Ų | 98 | 135.4 Ų | 135.4 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 139.8 | 169.6 | 30.3 | -34.2 | 0 | 0 | 0 | 110.7 | Y453 | P451-Y453 PolarHBondContact O-N 2.62Š|
| 452 | A | 41.5 | Very low | 46.2 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 120.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 453 | Y | 45.7 | Very low | 46.8 | Very low | 215 Ų | 215 | 136.1 Ų | 136.1 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 136.4 | 163.8 | -84.7 | -89.1 | 0 | 0 | 0 | 110 | P451 A455 | P451-Y453 PolarHBondContact O-N 2.62Å; Y453-A455 PolarHBondContact O-N 2.67Å |
| 454 | A | 44.7 | Very low | 47.3 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66 | 125.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 455 | A | 46.5 | Very low | 47.5 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -76 | 124.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y453 | Y453-A455 PolarHBondContact O-N 2.67Š|
| 456 | L | 52.4 | Low | 47.5 | Very low | 166 Ų | 166 | 130 Ų | 130 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 134.1 | 167.5 | -79.9 | 159.4 | 0 | 0 | 0 | 109.7 | | |
| 457 | P | 50.4 | Low | 47.4 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -74.8 | 134.9 | 176.6 | 30.7 | -33.6 | 0 | 0 | 0 | 110.6 | | |
| 458 | G | 44.9 | Very low | 47.6 | Very low | 74 Ų | 74 | 126.7 Ų | 126.7 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | | | trans | 144.4 | -10.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 459 | F | 51.7 | Low | 47.2 | Very low | 193 Ų | 193 | 124.7 Ų | 124.7 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | | | trans | -124.3 | 110 | 180 | -107 | -94.2 | 0 | 0 | 0 | 113.1 | Y461 | F459-Y461 HydrophobicContact CD1-CD2 4.47Å; F459-Y461 HydrophobicContact CD1-CE2 4.25Å |
| 460 | A | 41.8 | Very low | 47.7 | Very low | 101 Ų | 101 | 126 Ų | 126 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | | | trans | -91.7 | 112.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 461 | Y | 53.5 | Low | 47.6 | Very low | 200 Ų | 200 | 124.8 Ų | 124.8 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | | | trans | -106.2 | 135.1 | 162.5 | -98.9 | -94.9 | 0 | 0 | 0 | 109.3 | F459 | F459-Y461 HydrophobicContact CD1-CD2 4.47Å; F459-Y461 HydrophobicContact CD1-CE2 4.25Å |
| 462 | P | 63.7 | Low | 47.2 | Very low | 109 Ų | 109 | 122.9 Ų | 122.9 | 71% | 0.708 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 145.3 | -178.7 | 29.9 | -34.8 | 0 | 0 | 0 | 111.4 | | |
| 463 | P | 57.9 | Low | 47.2 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70 | 140.1 | 174.3 | 29.8 | -34.1 | 0 | 0 | 0 | 110.6 | A465 | P463-A465 PolarHBondContact O-N 2.98Š|
| 464 | P | 59.3 | Low | 47.2 | Very low | 130 Ų | 130 | 123.2 Ų | 123.2 | 84% | 0.844 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 120.9 | 170.9 | 27.9 | -32.8 | 0 | 0 | 0 | 109.5 | | |
| 465 | A | 45.1 | Very low | 47.5 | Very low | 94 Ų | 94 | 123.5 Ų | 123.5 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 137.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P463 A467 | P463-A465 PolarHBondContact O-N 2.98Å; A465-A467 PolarHBondContact O-N 3.02Å |
| 466 | A | 38.7 | Very low | 47.9 | Very low | 111 Ų | 111 | 124.4 Ų | 124.4 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | | | trans | -71 | 99.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 467 | A | 42.7 | Very low | 47.9 | Very low | 97 Ų | 97 | 124.6 Ų | 124.6 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 144.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A465 | A465-A467 PolarHBondContact O-N 3.02Š|
| 468 | A | 42.7 | Very low | 48.1 | Very low | 105 Ų | 105 | 123 Ų | 123 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 163.9 | -170 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 469 | A | 38.5 | Very low | 48.6 | Very low | 102 Ų | 102 | 122.5 Ų | 122.5 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -67 | 144.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 470 | A | 46.7 | Very low | 49.3 | Very low | 95 Ų | 95 | 123.3 Ų | 123.3 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | | | trans | -118.4 | 131.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | G472 | A470-G472 PolarHBondContact O-N 3.19Š|
| 471 | N | 41.5 | Very low | 50.5 | Low | 183 Ų | 183 | 130.1 Ų | 130.1 | 98% | 0.979 | 81% | 0.808 | S | S | * | * | | | trans | -73.7 | 90.7 | -178.5 | -76.6 | -37.4 | 0 | 0 | 0 | 111 | | |
| 472 | G | 41.8 | Very low | 51.6 | Low | 58 Ų | 58 | 130.5 Ų | 130.5 | 60% | 0.598 | 81% | 0.813 | S | S | * | * | | | trans | -119.9 | 130.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111 | A470 N474 | A470-G472 PolarHBondContact O-N 3.19Å; G472-N474 PolarHBondContact O-N 3.29Å |
| 473 | L | 41.5 | Very low | 52.5 | Low | 174 Ų | 174 | 128.2 Ų | 128.2 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | | | trans | -79 | 63.6 | -173.8 | -134.5 | 166.4 | 0 | 0 | 0 | 111.5 | V475 | L473-V475 PolarHBondContact O-N 3.11Š|
| 474 | N | 44.4 | Very low | 53.9 | Low | 152 Ų | 152 | 132.6 Ų | 132.6 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | | | trans | -74.9 | 91.2 | -174.1 | -120.7 | -13.7 | 0 | 0 | 0 | 110.6 | G472 | G472-N474 PolarHBondContact O-N 3.29Š|
| 475 | V | 52.1 | Low | 55.6 | Low | 109 Ų | 109 | 135 Ų | 135 | 66% | 0.661 | 81% | 0.809 | S | S | * | * | | | trans | -58.1 | 123.2 | 167.1 | 178.1 | 0 | 0 | 0 | 0 | 107.9 | L473 L477 | L473-V475 PolarHBondContact O-N 3.11Å; V475-L477 PolarHBondContact O-N 2.93Å |
| 476 | P | 54.1 | Low | 58 | Low | 114 Ų | 114 | 133.6 Ų | 133.6 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | | | trans | -64.9 | 109.9 | 179.5 | 25.7 | -33.1 | 0 | 0 | 0 | 109 | A478 | P476-A478 VanDerWaalsContact C-N 3.33Å; P476-A478 PolarHBondContact O-N 2.97Å |
| 477 | L | 52.3 | Low | 60.7 | Low | 170 Ų | 170 | 132.3 Ų | 132.3 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | | | trans | -59.3 | 97.2 | 171.6 | -96.8 | 126.7 | 0 | 0 | 0 | 108.4 | V475 G479 | V475-L477 PolarHBondContact O-N 2.93Å; L477-G479 PolarHBondContact O-N 3.48Å |
| 478 | A | 55.3 | Low | 63.1 | Low | 95 Ų | 95 | 134.4 Ų | 134.4 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | trans | -55.4 | 108.7 | -174 | 0 | 0 | 0 | 0 | 0 | 109.8 | P476 K480 | P476-A478 VanDerWaalsContact C-N 3.33Å; P476-A478 PolarHBondContact O-N 2.97Å; A478-K480 PolarHBondContact O-N 3.37Å |
| 479 | G | 54.8 | Low | 65.7 | Low | 64 Ų | 64 | 134.5 Ų | 134.5 | 66% | 0.66 | 76% | 0.756 | S | S | * | * | | | trans | -50.8 | 126.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111 | L477 R481 | L477-G479 PolarHBondContact O-N 3.48Å; G479-R481 PolarHBondContact O-N 3.48Å |
| 480 | K | 66.4 | Low | 68.5 | Low | 210 Ų | 210 | 133.6 Ų | 133.6 | 91% | 0.913 | 74% | 0.739 | S | S | * | * | | | trans | -51.7 | 95.4 | -172.2 | -64.9 | 177.4 | -177.6 | 171.6 | 0 | 110.1 | A478 K482 | A478-K480 PolarHBondContact O-N 3.37Å; K480-K482 PolarHBondContact O-N 2.99Å; K480-K482 VanDerWaalsContact O-N 3.07Å |
| 481 | R | 67.4 | Low | 70.9 | Confident | 244 Ų | 244 | 134.3 Ų | 134.3 | 92% | 0.921 | 73% | 0.726 | S | S | * | * | | | trans | -57.8 | 117.4 | -176.9 | -76 | -174.6 | 170.5 | -167.9 | -3 | 108.1 | G479 G483 | G479-R481 PolarHBondContact O-N 3.48Å; R481-G483 PolarHBondContact O-N 2.91Å |
| 482 | K | 76 | Confident | 73.6 | Confident | 207 Ų | 207 | 129.4 Ų | 129.4 | 90% | 0.9 | 70% | 0.699 | S | S | * | * | | | trans | -55.3 | 107.4 | 176.7 | -71.8 | -176.3 | 177.5 | -179.7 | 0 | 108.3 | K480 K484 | K480-K482 PolarHBondContact O-N 2.99Å; K480-K482 VanDerWaalsContact O-N 3.07Å; K482-K484 PolarHBondContact O-N 2.93Å |
| 483 | G | 83.2 | Confident | 76.2 | Confident | 62 Ų | 62 | 128.6 Ų | 128.6 | 64% | 0.639 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 122.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110 | R481 W485 | R481-G483 PolarHBondContact O-N 2.91Å; G483-W485 PolarHBondContact O-N 3.47Å |
| 484 | K | 87.9 | Confident | 78.9 | Confident | 209 Ų | 209 | 127.8 Ų | 127.8 | 91% | 0.909 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -66 | 124.8 | 172.2 | -68.7 | -172.7 | 177.1 | -175 | 0 | 108.2 | K482 C486 | K482-K484 PolarHBondContact O-N 2.93Å; K484-C486 PolarHBondContact O-N 3.26Å |
| 485 | W | 94.3 | Very high | 81.4 | Confident | 180 Ų | 180 | 125.3 Ų | 125.3 | 68% | 0.682 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 124.1 | 174.1 | -72.1 | 54.7 | 0 | 0 | 0 | 108.3 | G483 H489 V490 A493 | G483-W485 PolarHBondContact O-N 3.47Å; W485-H489 HydrophobicContact CD2-CB 4.43Å; W485-H489 HydrophobicContact CE3-CB 3.74Å; W485-H489 HydrophobicContact CZ3-CB 4.33Å; W485-V490 HydrophobicContact CB-CG2 4.24Å; W485-V490 HydrophobicContact CE3-CG2 4.49Å; W485-A493 HydrophobicContact CZ3-CB 4.12Å |
| 486 | C | 95.9 | Very high | 83.6 | Confident | 64 Ų | 64 | 125.1 Ų | 125.1 | 43% | 0.432 | 65% | 0.652 | S | S | . | * | P | Polyproline II helix | trans | -77.3 | 158.9 | 169.4 | 66.1 | 0 | 0 | 0 | 0 | 109.7 | K484 K488 H489 V490 | K484-C486 PolarHBondContact O-N 3.26Å; C486-K488 PolarHBondContact O-N 2.97Å; C486-K488 VanDerWaalsContact O-N 3.09Å; C486-H489 PolarHBondContact O-N 3.49Å; C486-H489 PolarHBondContact SG-ND1 3.4Å; C486-V490 PolarHBondContact O-N 3.48Å |
| 487 | A | 95 | Very high | 85.7 | Confident | 85 Ų | 85 | 125 Ų | 125 | 70% | 0.702 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -50.3 | -39.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | H489 V490 E491 | A487-H489 VanDerWaalsContact C-N 3.33Å; A487-H489 PolarHBondContact O-N 3.12Å; A487-V490 WeakPolarHBondContact O-CB 3.45Å; A487-V490 PolarHBondContact O-N 2.96Å; A487-V490 VanDerWaalsContact O-N 3.08Å; A487-E491 WeakPolarHBondContact O-CB 3.5Å; A487-E491 PolarHBondContact O-N 3.01Å |
| 488 | K | 93 | Very high | 87.8 | Confident | 140 Ų | 140 | 123.6 Ų | 123.6 | 61% | 0.609 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.7 | -30.4 | 178.2 | -165.7 | 163.6 | -169.4 | 162.6 | 0 | 114.3 | C486 I492 | C486-K488 PolarHBondContact O-N 2.97Å; C486-K488 VanDerWaalsContact O-N 3.09Å; K488-I492 HydrophobicContact CG-CD1 4.22Å; K488-I492 WeakPolarHBondContact O-CB 3.37Å; K488-I492 WeakPolarHBondContact O-CD1 3.33Å; K488-I492 WeakPolarHBondContact O-CG1 3.5Å; K488-I492 PolarHBondContact O-N 3.49Å; K488-I492 VanDerWaalsContact O-N 3.08Å |
| 489 | H | 97.7 | Very high | 89.7 | Confident | 107 Ų | 107 | 126.8 Ų | 126.8 | 50% | 0.495 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -74.1 | -34.2 | 172.5 | -69.1 | 150.8 | 0 | 0 | 0 | 112 | W485 C486 A487 A493 | W485-H489 HydrophobicContact CD2-CB 4.43Å; W485-H489 HydrophobicContact CE3-CB 3.74Å; W485-H489 HydrophobicContact CZ3-CB 4.33Å; C486-H489 PolarHBondContact O-N 3.49Å; C486-H489 PolarHBondContact SG-ND1 3.4Å; A487-H489 VanDerWaalsContact C-N 3.33Å; A487-H489 PolarHBondContact O-N 3.12Å; H489-A493 WeakPolarHBondContact O-CB 3.47Å; H489-A493 PolarHBondContact O-N 3.2Å |
| 490 | V | 97.2 | Very high | 91.6 | Very high | 83 Ų | 83 | 128.1 Ų | 128.1 | 50% | 0.503 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.1 | -43.4 | 174.4 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | W485 C486 A487 A493 W494 | W485-V490 HydrophobicContact CB-CG2 4.24Å; W485-V490 HydrophobicContact CE3-CG2 4.49Å; C486-V490 PolarHBondContact O-N 3.48Å; A487-V490 WeakPolarHBondContact O-CB 3.45Å; A487-V490 PolarHBondContact O-N 2.96Å; A487-V490 VanDerWaalsContact O-N 3.08Å; V490-A493 PolarHBondContact O-N 3.16Å; V490-W494 WeakPolarHBondContact O-CB 3.33Å; V490-W494 PolarHBondContact O-N 2.92Å |
| 491 | E | 97.7 | Very high | 92.8 | Very high | 110 Ų | 110 | 125.5 Ų | 125.5 | 51% | 0.514 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -57.1 | -50.4 | 173.6 | -178.8 | -172.3 | -161.9 | 0 | 0 | 112.1 | A487 A493 W494 L495 | A487-E491 WeakPolarHBondContact O-CB 3.5Å; A487-E491 PolarHBondContact O-N 3.01Å; E491-A493 VanDerWaalsContact C-N 3.34Å; E491-A493 PolarHBondContact O-N 3.37Å; E491-W494 PolarHBondContact O-N 3.09Å; E491-L495 HydrophobicContact CG-CD1 4.36Å; E491-L495 WeakPolarHBondContact O-CG 3.41Å; E491-L495 PolarHBondContact O-N 2.91Å |
| 492 | I | 97.4 | Very high | 93.9 | Very high | 80 Ų | 80 | 119.4 Ų | 119.4 | 41% | 0.41 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.5 | -42.5 | 177.3 | -70.3 | 165.5 | 0 | 0 | 0 | 111.1 | K488 L495 I496 | K488-I492 HydrophobicContact CG-CD1 4.22Å; K488-I492 WeakPolarHBondContact O-CB 3.37Å; K488-I492 WeakPolarHBondContact O-CD1 3.33Å; K488-I492 WeakPolarHBondContact O-CG1 3.5Å; K488-I492 PolarHBondContact O-N 3.49Å; K488-I492 VanDerWaalsContact O-N 3.08Å; I492-L495 PolarHBondContact O-N 3.39Å; I492-I496 HydrophobicContact CG2-CD1 3.92Å; I492-I496 VanDerWaalsContact O-CG1 3.31Å; I492-I496 WeakPolarHBondContact O-CG1 3.5Å; I492-I496 PolarHBondContact O-N 3.21Å |
| 493 | A | 97.6 | Very high | 94.1 | Very high | 41 Ų | 41 | 111.7 Ų | 111.7 | 34% | 0.339 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.1 | -39.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W485 H489 V490 E491 I496 Y497 | W485-A493 HydrophobicContact CZ3-CB 4.12Å; H489-A493 WeakPolarHBondContact O-CB 3.47Å; H489-A493 PolarHBondContact O-N 3.2Å; V490-A493 PolarHBondContact O-N 3.16Å; E491-A493 VanDerWaalsContact C-N 3.34Å; E491-A493 PolarHBondContact O-N 3.37Å; A493-I496 PolarHBondContact O-N 3.22Å; A493-Y497 WeakPolarHBondContact O-CB 3.38Å; A493-Y497 PolarHBondContact O-N 3.15Å |
| 494 | W | 97.7 | Very high | 93.3 | Very high | 157 Ų | 157 | 112.9 Ų | 112.9 | 60% | 0.595 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.6 | -41.8 | 175.7 | -175.8 | -115.2 | 0 | 0 | 0 | 112.3 | V490 E491 Y497 R498 | V490-W494 WeakPolarHBondContact O-CB 3.33Å; V490-W494 PolarHBondContact O-N 2.92Å; E491-W494 PolarHBondContact O-N 3.09Å; W494-Y497 HydrophobicContact CE3-CD1 4.01Å; W494-Y497 HydrophobicContact CH2-CE1 4.48Å; W494-Y497 AromaticContact CZ3-CD1 3.91Å; W494-Y497 HydrophobicContact CZ3-CD1 3.91Å; W494-Y497 HydrophobicContact CZ3-CE1 4.04Å; W494-Y497 PolarHBondContact O-N 2.99Å; W494-R498 WeakPolarHBondContact O-CB 3.42Å; W494-R498 PolarHBondContact O-N 3.43Å |
| 495 | L | 97.5 | Very high | 92.1 | Very high | 100 Ų | 100 | 112.1 Ų | 112.1 | 52% | 0.524 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 174.6 | -71.1 | 170.4 | 0 | 0 | 0 | 112.1 | E491 I492 K499 | E491-L495 HydrophobicContact CG-CD1 4.36Å; E491-L495 WeakPolarHBondContact O-CG 3.41Å; E491-L495 PolarHBondContact O-N 2.91Å; I492-L495 PolarHBondContact O-N 3.39Å; L495-K499 WeakPolarHBondContact O-CB 3.46Å; L495-K499 PolarHBondContact O-N 2.95Å |
| 496 | I | 97.4 | Very high | 90.8 | Very high | 105 Ų | 105 | 111.8 Ų | 111.8 | 54% | 0.538 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.7 | -49.8 | 174.4 | -68.1 | 165.1 | 0 | 0 | 0 | 110.4 | I492 A493 R498 K499 V500 | I492-I496 HydrophobicContact CG2-CD1 3.92Å; I492-I496 VanDerWaalsContact O-CG1 3.31Å; I492-I496 WeakPolarHBondContact O-CG1 3.5Å; I492-I496 PolarHBondContact O-N 3.21Å; A493-I496 PolarHBondContact O-N 3.22Å; I496-R498 PolarHBondContact O-N 3.35Å; I496-K499 PolarHBondContact O-N 3.03Å; I496-V500 WeakPolarHBondContact O-CG2 3.46Å; I496-V500 PolarHBondContact O-N 2.85Å |
| 497 | Y | 97.4 | Very high | 89 | Confident | 113 Ų | 113 | 110.6 Ų | 110.6 | 44% | 0.443 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -57.3 | -47.4 | 177.7 | 171 | -98.8 | 0 | 0 | 0 | 112 | A493 W494 K499 V500 R501 | A493-Y497 WeakPolarHBondContact O-CB 3.38Å; A493-Y497 PolarHBondContact O-N 3.15Å; W494-Y497 HydrophobicContact CE3-CD1 4.01Å; W494-Y497 HydrophobicContact CH2-CE1 4.48Å; W494-Y497 AromaticContact CZ3-CD1 3.91Å; W494-Y497 HydrophobicContact CZ3-CD1 3.91Å; W494-Y497 HydrophobicContact CZ3-CE1 4.04Å; W494-Y497 PolarHBondContact O-N 2.99Å; Y497-K499 VanDerWaalsContact C-N 3.35Å; Y497-K499 PolarHBondContact O-N 3.36Å; Y497-V500 PolarHBondContact O-N 3.3Å; Y497-R501 WeakPolarHBondContact O-CB 3.46Å; Y497-R501 PolarHBondContact O-N 3.33Å; Y497-R501 PolarHBondContact OH-NH1 3.23Å |
| 498 | R | 96.6 | Very high | 87.1 | Confident | 139 Ų | 139 | 113.3 Ų | 113.3 | 53% | 0.525 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 177.5 | -171.1 | 175.4 | -174.9 | 169.3 | 4.2 | 111.6 | W494 I496 R501 Q502 | W494-R498 WeakPolarHBondContact O-CB 3.42Å; W494-R498 PolarHBondContact O-N 3.43Å; I496-R498 PolarHBondContact O-N 3.35Å; R498-R501 PolarHBondContact O-N 3.39Å; R498-Q502 WeakPolarHBondContact O-CB 3.42Å; R498-Q502 WeakPolarHBondContact O-CG 3.43Å; R498-Q502 PolarHBondContact O-N 2.97Å |
| 499 | K | 95 | Very high | 85.4 | Confident | 163 Ų | 163 | 111.5 Ų | 111.5 | 71% | 0.709 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.9 | -40.5 | 177.9 | -170.9 | 171 | -176.7 | 175.4 | 0 | 112.5 | L495 I496 Y497 Q502 G503 | L495-K499 WeakPolarHBondContact O-CB 3.46Å; L495-K499 PolarHBondContact O-N 2.95Å; I496-K499 PolarHBondContact O-N 3.03Å; Y497-K499 VanDerWaalsContact C-N 3.35Å; Y497-K499 PolarHBondContact O-N 3.36Å; K499-Q502 PolarHBondContact O-N 3.48Å; K499-G503 PolarHBondContact O-N 2.87Å |
| 500 | V | 94.5 | Very high | 83.5 | Confident | 92 Ų | 92 | 111.9 Ų | 111.9 | 56% | 0.558 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.5 | -48.4 | 174 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | I496 Y497 Q502 G503 T504 | I496-V500 WeakPolarHBondContact O-CG2 3.46Å; I496-V500 PolarHBondContact O-N 2.85Å; Y497-V500 PolarHBondContact O-N 3.3Å; V500-Q502 VanDerWaalsContact C-N 3.26Å; V500-Q502 PolarHBondContact O-N 3.06Å; V500-G503 PolarHBondContact O-N 2.94Å; V500-G503 VanDerWaalsContact O-N 3.11Å; V500-T504 PolarHBondContact O-N 2.93Å |
| 501 | R | 92.5 | Very high | 81.8 | Confident | 154 Ų | 154 | 112.5 Ų | 112.5 | 58% | 0.581 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.3 | -23 | -179.6 | -171.3 | 172.2 | 178.8 | -178 | -3.3 | 114 | Y497 R498 T504 | Y497-R501 WeakPolarHBondContact O-CB 3.46Å; Y497-R501 PolarHBondContact O-N 3.33Å; Y497-R501 PolarHBondContact OH-NH1 3.23Å; R498-R501 PolarHBondContact O-N 3.39Å; R501-T504 PolarHBondContact O-OG1 3.02Å |
| 502 | Q | 90.1 | Very high | 80.1 | Confident | 117 Ų | 117 | 112.6 Ų | 112.6 | 55% | 0.547 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -85.6 | -32.7 | 171 | -74.1 | 177.1 | -35.4 | 0 | 0 | 112.6 | R498 K499 V500 | R498-Q502 WeakPolarHBondContact O-CB 3.42Å; R498-Q502 WeakPolarHBondContact O-CG 3.43Å; R498-Q502 PolarHBondContact O-N 2.97Å; K499-Q502 PolarHBondContact O-N 3.48Å; V500-Q502 VanDerWaalsContact C-N 3.26Å; V500-Q502 PolarHBondContact O-N 3.06Å |
| 503 | G | 80.3 | Confident | 78.6 | Confident | 44 Ų | 44 | 111.2 Ų | 111.2 | 45% | 0.454 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.9 | -43.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K499 V500 R505 K506 | K499-G503 PolarHBondContact O-N 2.87Å; V500-G503 PolarHBondContact O-N 2.94Å; V500-G503 VanDerWaalsContact O-N 3.11Å; G503-R505 VanDerWaalsContact C-N 3.32Å; G503-R505 PolarHBondContact O-N 3.3Å; G503-K506 PolarHBondContact O-N 3.47Å; G503-K506 VanDerWaalsContact O-N 3.1Å |
| 504 | T | 67.1 | Low | 77.1 | Confident | 88 Ų | 88 | 115.4 Ų | 115.4 | 54% | 0.54 | 57% | 0.571 | S | S | . | * | G | 310 helix | trans | -57.6 | -42.6 | -178.9 | 50.8 | 0 | 0 | 0 | 0 | 112.6 | V500 R501 K506 G507 | V500-T504 PolarHBondContact O-N 2.93Å; R501-T504 PolarHBondContact O-OG1 3.02Å; T504-K506 PolarHBondContact O-N 3Å; T504-K506 VanDerWaalsContact O-N 3.15Å; T504-G507 PolarHBondContact O-N 3.4Å; T504-G507 VanDerWaalsContact O-N 3.15Å |
| 505 | R | 63.3 | Low | 75.8 | Confident | 193 Ų | 193 | 110.7 Ų | 110.7 | 73% | 0.728 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -70.8 | -3.2 | 179.4 | -70.3 | -171.5 | 170.5 | -161.8 | -5.1 | 115.7 | G503 | G503-R505 VanDerWaalsContact C-N 3.32Å; G503-R505 PolarHBondContact O-N 3.3Å |
| 506 | K | 65.6 | Low | 74.4 | Confident | 173 Ų | 173 | 112.5 Ų | 112.5 | 75% | 0.752 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -108.5 | -1.3 | 171.7 | -83.1 | -161.9 | 171.4 | -167.1 | 0 | 113.7 | G503 T504 | G503-K506 PolarHBondContact O-N 3.47Å; G503-K506 VanDerWaalsContact O-N 3.1Å; T504-K506 PolarHBondContact O-N 3Å; T504-K506 VanDerWaalsContact O-N 3.15Å |
| 507 | G | 58.9 | Low | 72.7 | Confident | 39 Ų | 39 | 114.4 Ų | 114.4 | 40% | 0.402 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77 | -49.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T504 T509 L510 | T504-G507 PolarHBondContact O-N 3.4Å; T504-G507 VanDerWaalsContact O-N 3.15Å; G507-T509 PolarHBondContact O-N 2.93Å; G507-L510 PolarHBondContact O-N 3.33Å |
| 508 | E | 55.3 | Low | 71.3 | Confident | 142 Ų | 142 | 115.4 Ų | 115.4 | 66% | 0.664 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60 | -47.5 | -170 | -65.8 | 163.7 | 158.5 | 0 | 0 | 112.4 | L510 V511 | E508-L510 VanDerWaalsContact C-N 3.29Å; E508-L510 PolarHBondContact O-N 3.44Å; E508-V511 PolarHBondContact O-N 3.22Å |
| 509 | T | 57.7 | Low | 69.8 | Low | 102 Ų | 102 | 118.2 Ų | 118.2 | 63% | 0.626 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -74.4 | -11 | -177.7 | 55.9 | 0 | 0 | 0 | 0 | 115.4 | G507 | G507-T509 PolarHBondContact O-N 2.93Å |
| 510 | L | 56.9 | Low | 68.5 | Low | 114 Ų | 114 | 117.4 Ų | 117.4 | 60% | 0.597 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -85.7 | -32.8 | 176.2 | -164.7 | 70.7 | 0 | 0 | 0 | 111.6 | G507 E508 A513 E514 | G507-L510 PolarHBondContact O-N 3.33Å; E508-L510 VanDerWaalsContact C-N 3.29Å; E508-L510 PolarHBondContact O-N 3.44Å; L510-A513 PolarHBondContact O-N 3.42Å; L510-E514 PolarHBondContact O-N 2.93Å |
| 511 | V | 61.8 | Low | 67 | Low | 97 Ų | 97 | 116.8 Ų | 116.8 | 59% | 0.588 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.8 | -38.9 | -179.8 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | E508 A513 S515 | E508-V511 PolarHBondContact O-N 3.22Å; V511-A513 VanDerWaalsContact C-N 3.35Å; V511-S515 WeakPolarHBondContact O-CB 3.48Å; V511-S515 PolarHBondContact O-N 3.45Å; V511-S515 PolarHBondContact O-OG 2.99Å |
| 512 | D | 62 | Low | 65.6 | Low | 111 Ų | 111 | 113.3 Ų | 113.3 | 59% | 0.594 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.6 | -40.1 | 173.9 | -71.3 | -26.4 | 0 | 0 | 0 | 111.8 | S515 Q516 | D512-S515 PolarHBondContact O-OG 2.85Å; D512-S515 VanDerWaalsContact O-OG 3.14Å; D512-Q516 WeakPolarHBondContact O-CB 3.48Å; D512-Q516 PolarHBondContact O-N 3.27Å |
| 513 | A | 65.1 | Low | 64.1 | Low | 52 Ų | 52 | 115 Ų | 115 | 43% | 0.43 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.8 | -42.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L510 V511 H517 | L510-A513 PolarHBondContact O-N 3.42Å; V511-A513 VanDerWaalsContact C-N 3.35Å; A513-H517 PolarHBondContact O-N 2.93Å |
| 514 | E | 66 | Low | 62.7 | Low | 129 Ų | 129 | 116.4 Ų | 116.4 | 60% | 0.603 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.7 | -38 | -179.3 | -165.7 | 165.7 | -179.3 | 0 | 0 | 111.9 | L510 H517 Q518 | L510-E514 PolarHBondContact O-N 2.93Å; E514-H517 PolarHBondContact O-N 3.49Å; E514-Q518 PolarHBondContact O-N 3.35Å; E514-Q518 VanDerWaalsContact O-N 3.16Å |
| 515 | S | 70.9 | Confident | 61.8 | Low | 57 Ų | 57 | 117.4 Ų | 117.4 | 40% | 0.399 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -70.3 | -34.5 | 176.1 | 62 | 0 | 0 | 0 | 0 | 113.4 | V511 D512 H517 Q518 R519 | V511-S515 WeakPolarHBondContact O-CB 3.48Å; V511-S515 PolarHBondContact O-N 3.45Å; V511-S515 PolarHBondContact O-OG 2.99Å; D512-S515 PolarHBondContact O-OG 2.85Å; D512-S515 VanDerWaalsContact O-OG 3.14Å; S515-H517 VanDerWaalsContact C-N 3.31Å; S515-Q518 PolarHBondContact O-N 3.34Å; S515-R519 PolarHBondContact O-N 3.32Å |
| 516 | Q | 68 | Low | 61.1 | Low | 138 Ų | 138 | 117.9 Ų | 117.9 | 65% | 0.645 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65.7 | -35.7 | 172 | -163.2 | 173.3 | 37.8 | 0 | 0 | 111.6 | D512 R519 L520 | D512-Q516 WeakPolarHBondContact O-CB 3.48Å; D512-Q516 PolarHBondContact O-N 3.27Å; Q516-R519 PolarHBondContact O-N 2.91Å; Q516-L520 PolarHBondContact O-N 3.44Å |
| 517 | H | 62 | Low | 59.9 | Low | 145 Ų | 145 | 116.9 Ų | 116.9 | 67% | 0.671 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72.1 | -30.4 | 178.8 | -138.3 | -52.8 | 0 | 0 | 0 | 113.6 | A513 E514 S515 | A513-H517 PolarHBondContact O-N 2.93Å; E514-H517 PolarHBondContact O-N 3.49Å; S515-H517 VanDerWaalsContact C-N 3.31Å |
| 518 | Q | 66.9 | Low | 58.9 | Low | 135 Ų | 135 | 119.8 Ų | 119.8 | 63% | 0.631 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -70.4 | -39.6 | 173.1 | -77.1 | -169.5 | 1.9 | 0 | 0 | 112.9 | E514 S515 L520 A521 S522 | E514-Q518 PolarHBondContact O-N 3.35Å; E514-Q518 VanDerWaalsContact O-N 3.16Å; S515-Q518 PolarHBondContact O-N 3.34Å; Q518-L520 VanDerWaalsContact C-N 3.28Å; Q518-L520 PolarHBondContact O-N 3.12Å; Q518-A521 WeakPolarHBondContact O-CB 3.27Å; Q518-A521 PolarHBondContact O-N 3.46Å; Q518-S522 PolarHBondContact O-N 3.38Å; Q518-S522 PolarHBondContact O-OG 3.05Å |
| 519 | R | 65.9 | Low | 58.3 | Low | 198 Ų | 198 | 120 Ų | 120 | 75% | 0.747 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -60.2 | -37.7 | 177.6 | -73 | -173.4 | 177 | -142.3 | 0.6 | 112.7 | S515 Q516 A521 S522 | S515-R519 PolarHBondContact O-N 3.32Å; Q516-R519 PolarHBondContact O-N 2.91Å; R519-A521 VanDerWaalsContact C-N 3.26Å; R519-A521 PolarHBondContact O-N 3.01Å; R519-S522 PolarHBondContact O-OG 3.11Å |
| 520 | L | 68.2 | Low | 57.4 | Low | 146 Ų | 146 | 118.4 Ų | 118.4 | 76% | 0.764 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -73.6 | -14.5 | 176.2 | -66.6 | 173.5 | 0 | 0 | 0 | 113.7 | Q516 Q518 | Q516-L520 PolarHBondContact O-N 3.44Å; Q518-L520 VanDerWaalsContact C-N 3.28Å; Q518-L520 PolarHBondContact O-N 3.12Å |
| 521 | A | 63.4 | Low | 56.5 | Low | 78 Ų | 78 | 119.8 Ų | 119.8 | 65% | 0.645 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -92 | -20.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q518 R519 | Q518-A521 WeakPolarHBondContact O-CB 3.27Å; Q518-A521 PolarHBondContact O-N 3.46Å; R519-A521 VanDerWaalsContact C-N 3.26Å; R519-A521 PolarHBondContact O-N 3.01Å |
| 522 | S | 62.8 | Low | 55.6 | Low | 82 Ų | 82 | 120.8 Ų | 120.8 | 57% | 0.573 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -84.7 | -28 | -174 | 45.2 | 0 | 0 | 0 | 0 | 115.5 | Q518 R519 G524 | Q518-S522 PolarHBondContact O-N 3.38Å; Q518-S522 PolarHBondContact O-OG 3.05Å; R519-S522 PolarHBondContact O-OG 3.11Å; S522-G524 VanDerWaalsContact C-N 3.33Å; S522-G524 PolarHBondContact O-N 2.92Å |
| 523 | D | 57 | Low | 54.5 | Low | 153 Ų | 153 | 123.7 Ų | 123.7 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -85.4 | -0.1 | -175.4 | -74.1 | -28.6 | 0 | 0 | 0 | 114.3 | S525 | D523-S525 PolarHBondContact O-N 3.33Š|
| 524 | G | 52 | Low | 53.3 | Low | 72 Ų | 72 | 124.9 Ų | 124.9 | 74% | 0.742 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -85.7 | 10.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | S522 | S522-G524 VanDerWaalsContact C-N 3.33Å; S522-G524 PolarHBondContact O-N 2.92Å |
| 525 | S | 47.8 | Very low | 52.2 | Low | 109 Ų | 109 | 126.4 Ų | 126.4 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | | | trans | -139.3 | 47.4 | -162.9 | -156.8 | 0 | 0 | 0 | 0 | 116.4 | D523 | D523-S525 PolarHBondContact O-N 3.33Š|
| 526 | K | 48.1 | Very low | 50.8 | Low | 204 Ų | 204 | 130 Ų | 130 | 89% | 0.887 | 74% | 0.739 | S | S | * | * | | | trans | -144.7 | 156.9 | 160.5 | -69.2 | -167.4 | 179.5 | 177.8 | 0 | 111 | | |
| 527 | V | 42.1 | Very low | 49.7 | Very low | 151 Ų | 151 | 131 Ų | 131 | 92% | 0.915 | 74% | 0.744 | S | S | * | * | | | trans | 85.8 | 88.9 | -176.6 | -171.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 528 | A | 37.2 | Very low | 48.7 | Very low | 100 Ų | 100 | 130.3 Ų | 130.3 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | | | trans | -164.8 | 42.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 529 | V | 42.3 | Very low | 47.5 | Very low | 146 Ų | 146 | 132 Ų | 132 | 89% | 0.885 | 75% | 0.746 | S | S | * | * | | | trans | -142.2 | 120.9 | 172 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 530 | G | 38.1 | Very low | 46.6 | Very low | 69 Ų | 69 | 131.9 Ų | 131.9 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | | | trans | 67 | 113.4 | 153.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 531 | V | 39.8 | Very low | 45.5 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 87% | 0.873 | 75% | 0.753 | S | S | * | * | | | | -168.9 | 155 | 101.7 | 148.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 532 | V | 42.2 | Very low | 44.4 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | | | trans | -121.7 | 152.8 | -173 | 165.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 533 | E | 37.9 | Very low | 43.4 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | | | trans | 66.3 | 151.2 | 176.2 | -76.6 | 168.8 | 105.6 | 0 | 0 | 116.1 | | |
| 534 | S | 41 | Very low | 42.5 | Very low | 77 Ų | 77 | 131.7 Ų | 131.7 | 54% | 0.538 | 78% | 0.775 | S | S | . | * | | | cis | -150 | 168.1 | 0.5 | -132.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 535 | Q | 42.7 | Very low | 42.4 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | | | trans | 27.7 | 144.7 | 139.5 | -70.3 | 173.7 | 90.2 | 0 | 0 | 120.4 | | |
| 536 | Q | 42.3 | Very low | 42.2 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 61% | 0.612 | 78% | 0.779 | S | S | * | * | | | cis | -179.9 | 159.4 | 13.1 | 143.9 | -175.9 | -13.6 | 0 | 0 | 109.8 | | |
| 537 | E | 44.3 | Very low | 41.8 | Very low | 161 Ų | 161 | 134 Ų | 134 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | | | trans | 61.3 | 165.9 | 163.8 | -82.4 | 165.3 | 159.7 | 0 | 0 | 119.7 | | |
| 538 | E | 40.9 | Very low | 41.8 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 60% | 0.603 | 77% | 0.771 | S | S | * | * | | | cis | -142.5 | 119.5 | -26.1 | -179.7 | 174.9 | -176.5 | 0 | 0 | 111 | R540 | E538-R540 IonicContact OE1-NE 3.21Š|
| 539 | K | 42.1 | Very low | 41.8 | Very low | 172 Ų | 172 | 131.9 Ų | 131.9 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | | 30.2 | 123 | 123.7 | -138.1 | -177.8 | -157.8 | 163.2 | 0 | 118.9 | | |
| 540 | R | 47 | Very low | 41.7 | Very low | 195 Ų | 195 | 134.3 Ų | 134.3 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | | | | 157.1 | 145.8 | 117.7 | -87.1 | 168.1 | -169.5 | -99.2 | 5.5 | 114.8 | E538 | E538-R540 IonicContact OE1-NE 3.21Š|
| 541 | L | 44.7 | Very low | 41.9 | Very low | 173 Ų | 173 | 139 Ų | 139 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | | | trans | 62.6 | 136.2 | 158 | -61.2 | 154.8 | 0 | 0 | 0 | 117.3 | | |
| 542 | G | 41.2 | Very low | 41.8 | Very low | 79 Ų | 79 | 138.5 Ų | 138.5 | 81% | 0.814 | 75% | 0.753 | S | S | * | * | | | cis | 164.2 | 140 | -8.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 543 | G | 41.6 | Very low | 41.6 | Very low | 85 Ų | 85 | 144.8 Ų | 144.8 | 88% | 0.876 | 76% | 0.764 | S | S | * | * | | | trans | 155.1 | 113.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 544 | S | 37.1 | Very low | 41.7 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -153 | 152.7 | 166.1 | -159.6 | 0 | 0 | 0 | 0 | 106.9 | | |
| 545 | P | 49.5 | Very low | 41.9 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | | -155.6 | -166 | 88.8 | 41.8 | -22 | 0 | 0 | 0 | 115.5 | | |
| 546 | A | 43.7 | Very low | 41.8 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | trans | 87.8 | 99.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 547 | R | 40.5 | Very low | 41.8 | Very low | 218 Ų | 218 | 142.9 Ų | 142.9 | 82% | 0.823 | 78% | 0.782 | S | S | * | * | | | trans | -97.2 | 162.4 | 153.1 | -147.9 | -174.9 | -172.8 | -156.8 | 4.2 | 107.8 | | |
| 548 | P | 42.6 | Very low | 41.7 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | | | | -144.7 | -176.8 | 95 | 37.1 | -20.3 | 0 | 0 | 0 | 114.4 | | |
| 549 | S | 36.3 | Very low | 41.8 | Very low | 81 Ų | 81 | 142.6 Ų | 142.6 | 57% | 0.566 | 79% | 0.793 | S | S | * | * | | | trans | -106.3 | 152.3 | -170.9 | 50.4 | 0 | 0 | 0 | 0 | 114 | | |
| 550 | F | 40.9 | Very low | 41.6 | Very low | 197 Ų | 197 | 141.7 Ų | 141.7 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | | | trans | -144.5 | 112.2 | 155.9 | -94.2 | -78.2 | 0 | 0 | 0 | 113.8 | | |
| 551 | H | 42.1 | Very low | 41.3 | Very low | 167 Ų | 167 | 136 Ų | 136 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | trans | 46 | 140.4 | 145 | -80.8 | -81.2 | 0 | 0 | 0 | 125.4 | | |
| 552 | D | 36.5 | Very low | 41.1 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | | | trans | -66 | 154.9 | 167.8 | -44.6 | -98.2 | 0 | 0 | 0 | 114.7 | | |
| 553 | R | 38.5 | Very low | 41 | Very low | 250 Ų | 250 | 135.4 Ų | 135.4 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | | | trans | -142.1 | 130.2 | 138.3 | -74.7 | -161.5 | 170.6 | 171.4 | -2 | 111.1 | | |
| 554 | V | 39.5 | Very low | 41 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | | | trans | -120.3 | 130.8 | 173.2 | 171.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 555 | T | 45 | Very low | 41 | Very low | 133 Ų | 133 | 140 Ų | 140 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | | | trans | -150.2 | 104.5 | 170.1 | 46.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 556 | P | 41.9 | Very low | 40.7 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -86 | 139.4 | 153.6 | 33.8 | -29.9 | 0 | 0 | 0 | 109.9 | | |
| 557 | V | 42.7 | Very low | 40.5 | Very low | 133 Ų | 133 | 144.7 Ų | 144.7 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 127 | 175.4 | 175 | 0 | 0 | 0 | 0 | 109.7 | | |
| 558 | V | 41.5 | Very low | 40.5 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -104 | 127.6 | 168.8 | 176.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 559 | L | 43.8 | Very low | 40.7 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | trans | -121.6 | 110.8 | 164.3 | -94 | 166.6 | 0 | 0 | 0 | 108 | | |
| 560 | N | 36.6 | Very low | 40.7 | Very low | 152 Ų | 152 | 148.4 Ų | 148.4 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | trans | -102.4 | 130.2 | 178.1 | -130 | 13 | 0 | 0 | 0 | 108.6 | | |
| 561 | G | 40.2 | Very low | 40.5 | Very low | 75 Ų | 75 | 148 Ų | 148 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -133.9 | 125.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 562 | I | 40.9 | Very low | 40.4 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 86% | 0.862 | 80% | 0.796 | S | S | * | * | | | trans | -98.8 | 139.6 | -170 | -62 | 167.5 | 0 | 0 | 0 | 110 | | |
| 563 | G | 39.7 | Very low | 40.9 | Very low | 72 Ų | 72 | 148.9 Ų | 148.9 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | | | trans | -162.8 | 134.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 564 | D | 41.9 | Very low | 41.1 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 65% | 0.652 | 78% | 0.783 | S | S | * | * | | | trans | -91.3 | 145.3 | -162.9 | -94.2 | -74 | 0 | 0 | 0 | 115.9 | | |
| 565 | K | 37.8 | Very low | 41.8 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | | | trans | 40.5 | 104.4 | 140.4 | -58.3 | 170.2 | -175.3 | 98.7 | 0 | 119 | | |
| 566 | E | 42.7 | Very low | 42.2 | Very low | 199 Ų | 199 | 137.2 Ų | 137.2 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | | | trans | -150.1 | 150.5 | 134 | -131.9 | 174.3 | -147 | 0 | 0 | 111.6 | | |
| 567 | S | 39.3 | Very low | 42.7 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -98.2 | 112.4 | -168.6 | 48 | 0 | 0 | 0 | 0 | 113.2 | | |
| 568 | L | 41.1 | Very low | 43.6 | Very low | 170 Ų | 170 | 134.4 Ų | 134.4 | 89% | 0.89 | 75% | 0.748 | S | S | * | * | | | trans | -88.4 | 141.3 | 174.5 | -75.2 | 170.9 | 0 | 0 | 0 | 112.6 | | |
| 569 | P | 45.1 | Very low | 44.9 | Very low | 89 Ų | 89 | 133.2 Ų | 133.2 | 58% | 0.578 | 74% | 0.741 | S | S | * | * | | | trans | -76.2 | 145.9 | -179.3 | 31.2 | -35.3 | 0 | 0 | 0 | 112.5 | F571 | P569-F571 HydrophobicContact CG-CE2 4.01Å; P569-F571 PolarHBondContact O-N 3.07Å; P569-F571 VanDerWaalsContact O-N 3.11Å |
| 570 | R | 36.5 | Very low | 46.5 | Very low | 242 Ų | 242 | 128 Ų | 128 | 91% | 0.913 | 72% | 0.722 | S | S | * | * | | | trans | -65 | 106.2 | 166.1 | -79.7 | 178.2 | 166.9 | 172.4 | -5.1 | 109.9 | L572 | R570-L572 PolarHBondContact O-N 3.27Š|
| 571 | F | 37.5 | Very low | 48.4 | Very low | 188 Ų | 188 | 127.9 Ų | 127.9 | 83% | 0.825 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 120.7 | 159.4 | -78.1 | -84.4 | 0 | 0 | 0 | 109.2 | P569 I573 | P569-F571 HydrophobicContact CG-CE2 4.01Å; P569-F571 PolarHBondContact O-N 3.07Å; P569-F571 VanDerWaalsContact O-N 3.11Å; F571-I573 PolarHBondContact O-N 2.88Å |
| 572 | L | 39.4 | Very low | 50.5 | Low | 155 Ų | 155 | 131 Ų | 131 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 126.8 | 169.9 | -83 | 69.3 | 0 | 0 | 0 | 108.6 | R570 D574 | R570-L572 PolarHBondContact O-N 3.27Å; L572-D574 PolarHBondContact O-N 3.25Å |
| 573 | I | 47.4 | Very low | 52.7 | Low | 166 Ų | 166 | 127.9 Ų | 127.9 | 85% | 0.851 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 116.2 | 155.1 | -61.9 | 176.9 | 0 | 0 | 0 | 105.6 | F571 P575 | F571-I573 PolarHBondContact O-N 2.88Å; I573-P575 WeakPolarHBondContact O-CD 3.34Å |
| 574 | D | 41.9 | Very low | 54.9 | Low | 99 Ų | 99 | 130.4 Ų | 130.4 | 53% | 0.529 | 69% | 0.688 | S | S | . | * | | | trans | -69.8 | 115.6 | -175.2 | -169.7 | -18.6 | 0 | 0 | 0 | 110.6 | L572 A576 L577 | L572-D574 PolarHBondContact O-N 3.25Å; D574-A576 PolarHBondContact O-N 3.08Å; D574-A576 VanDerWaalsContact O-N 3.12Å; D574-A576 VanDerWaalsContact OD1-CB 3.28Å; D574-A576 WeakPolarHBondContact OD1-CB 3.42Å; D574-A576 PolarHBondContact OD1-N 2.93Å; D574-A576 VanDerWaalsContact OD1-N 3.09Å; D574-L577 PolarHBondContact O-N 3.14Å |
| 575 | P | 54.7 | Low | 57.1 | Low | 103 Ų | 103 | 127.4 Ų | 127.4 | 67% | 0.669 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -15.7 | -177.3 | 27.1 | -34.9 | 0 | 0 | 0 | 113.3 | I573 L577 G578 | I573-P575 WeakPolarHBondContact O-CD 3.34Å; P575-L577 PolarHBondContact O-N 3.41Å; P575-G578 PolarHBondContact O-N 3.39Å; P575-G578 VanDerWaalsContact O-N 3.14Å |
| 576 | A | 54.4 | Low | 59.7 | Low | 61 Ų | 61 | 123 Ų | 123 | 50% | 0.504 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -58 | -28.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D574 A580 | D574-A576 PolarHBondContact O-N 3.08Å; D574-A576 VanDerWaalsContact O-N 3.12Å; D574-A576 VanDerWaalsContact OD1-CB 3.28Å; D574-A576 WeakPolarHBondContact OD1-CB 3.42Å; D574-A576 PolarHBondContact OD1-N 2.93Å; D574-A576 VanDerWaalsContact OD1-N 3.09Å; A576-A580 PolarHBondContact O-N 2.98Å |
| 577 | L | 52.9 | Low | 62.1 | Low | 137 Ų | 137 | 118.7 Ų | 118.7 | 72% | 0.717 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71.7 | -27.6 | 178.6 | -85.9 | 166.7 | 0 | 0 | 0 | 113.7 | D574 P575 | D574-L577 PolarHBondContact O-N 3.14Å; P575-L577 PolarHBondContact O-N 3.41Å |
| 578 | G | 59.8 | Low | 64.6 | Low | 46 Ų | 46 | 122.6 Ų | 122.6 | 47% | 0.474 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -69.4 | -49.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P575 A580 Q581 E582 | P575-G578 PolarHBondContact O-N 3.39Å; P575-G578 VanDerWaalsContact O-N 3.14Å; G578-A580 VanDerWaalsContact C-N 3.3Å; G578-A580 PolarHBondContact O-N 3.48Å; G578-Q581 PolarHBondContact O-N 3.07Å; G578-Q581 VanDerWaalsContact O-N 3.07Å; G578-E582 PolarHBondContact O-N 2.94Å |
| 579 | V | 69.6 | Low | 66.9 | Low | 95 Ų | 95 | 122.9 Ų | 122.9 | 58% | 0.576 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -58.7 | -41.8 | -179.4 | -174.6 | 0 | 0 | 0 | 0 | 111.3 | Q581 E582 E583 | V579-Q581 VanDerWaalsContact C-N 3.28Å; V579-Q581 PolarHBondContact O-N 3.41Å; V579-E582 PolarHBondContact O-N 3.12Å; V579-E583 WeakPolarHBondContact O-CB 3.33Å; V579-E583 PolarHBondContact O-N 2.94Å |
| 580 | A | 77.9 | Confident | 69.1 | Low | 56 Ų | 56 | 123.4 Ų | 123.4 | 46% | 0.463 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -63 | -30.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A576 G578 L584 | A576-A580 PolarHBondContact O-N 2.98Å; G578-A580 VanDerWaalsContact C-N 3.3Å; G578-A580 PolarHBondContact O-N 3.48Å; A580-L584 WeakPolarHBondContact O-CB 3.42Å; A580-L584 PolarHBondContact O-N 2.71Å |
| 581 | Q | 76.6 | Confident | 71.7 | Confident | 149 Ų | 149 | 116.9 Ų | 116.9 | 70% | 0.696 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -77.9 | -36.8 | 176.7 | -174.4 | 173.1 | -13.6 | 0 | 0 | 111.9 | G578 V579 A585 | G578-Q581 PolarHBondContact O-N 3.07Å; G578-Q581 VanDerWaalsContact O-N 3.07Å; V579-Q581 VanDerWaalsContact C-N 3.28Å; V579-Q581 PolarHBondContact O-N 3.41Å; Q581-A585 WeakPolarHBondContact O-CB 3.39Å; Q581-A585 PolarHBondContact O-N 2.97Å |
| 582 | E | 84.3 | Confident | 74 | Confident | 140 Ų | 140 | 114.7 Ų | 114.7 | 65% | 0.654 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71 | -40.5 | 176.7 | -172.7 | 164.5 | -154.6 | 0 | 0 | 112.1 | G578 V579 L584 A585 T586 | G578-E582 PolarHBondContact O-N 2.94Å; V579-E582 PolarHBondContact O-N 3.12Å; E582-L584 VanDerWaalsContact C-N 3.32Å; E582-L584 PolarHBondContact O-N 3.49Å; E582-A585 PolarHBondContact O-N 3.15Å; E582-T586 WeakPolarHBondContact O-CB 3.49Å; E582-T586 PolarHBondContact O-N 3.46Å; E582-T586 PolarHBondContact O-OG1 3.46Å |
| 583 | E | 86.9 | Confident | 76.3 | Confident | 102 Ų | 102 | 113.2 Ų | 113.2 | 48% | 0.477 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.8 | -40.6 | 173.7 | -161.7 | -162.4 | 143.1 | 0 | 0 | 111.4 | V579 T586 K587 | V579-E583 WeakPolarHBondContact O-CB 3.33Å; V579-E583 PolarHBondContact O-N 2.94Å; E583-T586 PolarHBondContact O-N 3.43Å; E583-K587 HydrophobicContact CG-CD 4.48Å; E583-K587 WeakPolarHBondContact O-CB 3.4Å; E583-K587 PolarHBondContact O-N 3.17Å; E583-K587 WeakPolarHBondContact OE1-CE 3.34Å; E583-K587 IonicContact OE1-NZ 3.76Å; E583-K587 PolarHBondContact OE1-NZ 3.5Å |
| 584 | L | 85.3 | Confident | 78.1 | Confident | 125 Ų | 125 | 111.8 Ų | 111.8 | 65% | 0.654 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.2 | -40.1 | 174.8 | -166.9 | 83.1 | 0 | 0 | 0 | 112.1 | A580 E582 R588 | A580-L584 WeakPolarHBondContact O-CB 3.42Å; A580-L584 PolarHBondContact O-N 2.71Å; E582-L584 VanDerWaalsContact C-N 3.32Å; E582-L584 PolarHBondContact O-N 3.49Å; L584-R588 WeakPolarHBondContact O-CB 3.46Å; L584-R588 PolarHBondContact O-N 3.1Å |
| 585 | A | 88 | Confident | 79.8 | Confident | 60 Ų | 60 | 113.6 Ų | 113.6 | 50% | 0.496 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.2 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q581 E582 R588 R589 | Q581-A585 WeakPolarHBondContact O-CB 3.39Å; Q581-A585 PolarHBondContact O-N 2.97Å; E582-A585 PolarHBondContact O-N 3.15Å; A585-R588 PolarHBondContact O-N 3.09Å; A585-R589 PolarHBondContact O-N 3.44Å; A585-R589 VanDerWaalsContact O-N 3.11Å |
| 586 | T | 91.9 | Very high | 80.5 | Confident | 85 Ų | 85 | 114.9 Ų | 114.9 | 52% | 0.521 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.7 | -50.6 | 178.9 | -54.7 | 0 | 0 | 0 | 0 | 111 | E582 E583 R588 R589 E590 | E582-T586 WeakPolarHBondContact O-CB 3.49Å; E582-T586 PolarHBondContact O-N 3.46Å; E582-T586 PolarHBondContact O-OG1 3.46Å; E583-T586 PolarHBondContact O-N 3.43Å; T586-R588 PolarHBondContact O-N 3.01Å; T586-R589 PolarHBondContact O-N 3.08Å; T586-E590 PolarHBondContact O-N 2.88Å |
| 587 | K | 93.3 | Very high | 80.8 | Confident | 107 Ų | 107 | 117.1 Ų | 117.1 | 47% | 0.465 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -59.4 | -29.4 | 174.4 | -79.4 | 174.3 | 171.2 | 168.6 | 0 | 113.3 | E583 L591 | E583-K587 HydrophobicContact CG-CD 4.48Å; E583-K587 WeakPolarHBondContact O-CB 3.4Å; E583-K587 PolarHBondContact O-N 3.17Å; E583-K587 WeakPolarHBondContact OE1-CE 3.34Å; E583-K587 IonicContact OE1-NZ 3.76Å; E583-K587 PolarHBondContact OE1-NZ 3.5Å; K587-L591 WeakPolarHBondContact O-CB 3.23Å; K587-L591 PolarHBondContact O-N 2.88Å |
| 588 | R | 91.3 | Very high | 80.9 | Confident | 200 Ų | 200 | 115.8 Ų | 115.8 | 76% | 0.755 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74.1 | -32 | 175.4 | -166.5 | 175.3 | -172.5 | 178 | 2.1 | 113 | L584 A585 T586 Q592 | L584-R588 WeakPolarHBondContact O-CB 3.46Å; L584-R588 PolarHBondContact O-N 3.1Å; A585-R588 PolarHBondContact O-N 3.09Å; T586-R588 PolarHBondContact O-N 3.01Å; R588-Q592 WeakPolarHBondContact O-CB 3.4Å; R588-Q592 PolarHBondContact O-N 3.17Å |
| 589 | R | 91.1 | Very high | 80.5 | Confident | 176 Ų | 176 | 119 Ų | 119 | 66% | 0.664 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.8 | -46.1 | 171.3 | -179.2 | -179.6 | -89.7 | 155.2 | -10.6 | 110.7 | A585 T586 L591 Q592 E593 | A585-R589 PolarHBondContact O-N 3.44Å; A585-R589 VanDerWaalsContact O-N 3.11Å; T586-R589 PolarHBondContact O-N 3.08Å; R589-L591 PolarHBondContact O-N 3.36Å; R589-Q592 WeakPolarHBondContact O-CA 3.29Å; R589-Q592 WeakPolarHBondContact O-CB 3.47Å; R589-Q592 PolarHBondContact O-N 3.5Å; R589-E593 WeakPolarHBondContact CG-OE1 3.38Å; R589-E593 PolarHBondContact O-N 2.92Å |
| 590 | E | 90 | Very high | 79.8 | Confident | 100 Ų | 100 | 121.3 Ų | 121.3 | 47% | 0.467 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -57.6 | -45.5 | 177.2 | -171.4 | -177.1 | -171.9 | 0 | 0 | 112.2 | T586 Q592 E593 Q594 | T586-E590 PolarHBondContact O-N 2.88Å; E590-Q592 VanDerWaalsContact C-N 3.27Å; E590-Q592 PolarHBondContact O-N 3.03Å; E590-E593 PolarHBondContact O-N 3.2Å; E590-Q594 WeakPolarHBondContact O-CG 3.45Å; E590-Q594 PolarHBondContact O-N 2.89Å |
| 591 | L | 90.6 | Very high | 79.2 | Confident | 105 Ų | 105 | 123.7 Ų | 123.7 | 55% | 0.55 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.1 | -27.4 | 173.5 | -101.9 | 167.8 | 0 | 0 | 0 | 113.7 | K587 R589 L595 | K587-L591 WeakPolarHBondContact O-CB 3.23Å; K587-L591 PolarHBondContact O-N 2.88Å; R589-L591 PolarHBondContact O-N 3.36Å; L591-L595 WeakPolarHBondContact O-CB 3.39Å; L591-L595 WeakPolarHBondContact O-CD1 3.39Å; L591-L595 VanDerWaalsContact O-CG 3.26Å; L591-L595 WeakPolarHBondContact O-CG 3.38Å; L591-L595 PolarHBondContact O-N 3.46Å |
| 592 | Q | 86.5 | Confident | 79.1 | Confident | 142 Ų | 142 | 122.1 Ų | 122.1 | 66% | 0.664 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -76.5 | -34.3 | 176.9 | -173.6 | 171.2 | -6 | 0 | 0 | 111.4 | R588 R589 E590 L595 | R588-Q592 WeakPolarHBondContact O-CB 3.4Å; R588-Q592 PolarHBondContact O-N 3.17Å; R589-Q592 WeakPolarHBondContact O-CA 3.29Å; R589-Q592 WeakPolarHBondContact O-CB 3.47Å; R589-Q592 PolarHBondContact O-N 3.5Å; E590-Q592 VanDerWaalsContact C-N 3.27Å; E590-Q592 PolarHBondContact O-N 3.03Å; Q592-L595 PolarHBondContact O-N 3.48Å |
| 593 | E | 88.1 | Confident | 78.4 | Confident | 123 Ų | 123 | 120.9 Ų | 120.9 | 58% | 0.575 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -72.1 | -39.2 | 173.9 | -72 | 167.5 | -169.2 | 0 | 0 | 111.5 | R589 E590 L595 L596 | R589-E593 WeakPolarHBondContact CG-OE1 3.38Å; R589-E593 PolarHBondContact O-N 2.92Å; E590-E593 PolarHBondContact O-N 3.2Å; E593-L595 PolarHBondContact O-N 2.9Å; E593-L596 PolarHBondContact O-N 2.93Å |
| 594 | Q | 84.5 | Confident | 77.8 | Confident | 137 Ų | 137 | 122 Ų | 122 | 64% | 0.64 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -15.1 | 172.8 | -69.7 | 179.9 | 21.3 | 0 | 0 | 114.4 | E590 | E590-Q594 WeakPolarHBondContact O-CG 3.45Å; E590-Q594 PolarHBondContact O-N 2.89Å |
| 595 | L | 78.7 | Confident | 77.3 | Confident | 136 Ų | 136 | 120.5 Ų | 120.5 | 71% | 0.712 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -0.6 | 177.3 | -77.7 | 171.2 | 0 | 0 | 0 | 114 | L591 Q592 E593 P597 | L591-L595 WeakPolarHBondContact O-CB 3.39Å; L591-L595 WeakPolarHBondContact O-CD1 3.39Å; L591-L595 VanDerWaalsContact O-CG 3.26Å; L591-L595 WeakPolarHBondContact O-CG 3.38Å; L591-L595 PolarHBondContact O-N 3.46Å; Q592-L595 PolarHBondContact O-N 3.48Å; E593-L595 PolarHBondContact O-N 2.9Å; L595-P597 WeakPolarHBondContact O-CD 3.38Å |
| 596 | L | 67.9 | Low | 76.7 | Confident | 130 Ų | 130 | 123.2 Ų | 123.2 | 68% | 0.681 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -79.7 | 116.7 | 167.6 | -75.9 | 165.8 | 0 | 0 | 0 | 109.1 | E593 S598 | E593-L596 PolarHBondContact O-N 2.93Å; L596-S598 PolarHBondContact O-N 3.47Å |
| 597 | P | 62.3 | Low | 76 | Confident | 108 Ų | 108 | 125 Ų | 125 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 126.6 | -177.2 | 27.1 | -33.7 | 0 | 0 | 0 | 110.6 | L595 | L595-P597 WeakPolarHBondContact O-CD 3.38Š|
| 598 | S | 53.6 | Low | 75.3 | Confident | 109 Ų | 109 | 125.3 Ų | 125.3 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 141.3 | 168.4 | 56.4 | 0 | 0 | 0 | 0 | 110.7 | L596 I600 | L596-S598 PolarHBondContact O-N 3.47Å; S598-I600 PolarHBondContact O-N 3.2Å |
| 599 | S | 51.4 | Low | 74.5 | Confident | 113 Ų | 113 | 121.3 Ų | 121.3 | 79% | 0.79 | 70% | 0.703 | S | S | * | * | | | trans | -34.6 | 115.3 | -173 | 56 | 0 | 0 | 0 | 0 | 115.1 | | |
| 600 | I | 55.2 | Low | 73.8 | Confident | 145 Ų | 145 | 118.7 Ų | 118.7 | 74% | 0.744 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 123.1 | 163.7 | -59.7 | 174.4 | 0 | 0 | 0 | 107.2 | S598 | S598-I600 PolarHBondContact O-N 3.2Š|
| 601 | P | 65.5 | Low | 73 | Confident | 105 Ų | 105 | 119.9 Ų | 119.9 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 146.6 | 175.9 | 28.5 | -34.2 | 0 | 0 | 0 | 110.6 | | |
| 602 | P | 74.3 | Confident | 71.8 | Confident | 116 Ų | 116 | 119.7 Ų | 119.7 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -64 | 146.6 | 178.8 | 27.6 | -34.8 | 0 | 0 | 0 | 111.3 | | |
| 603 | P | 70.5 | Confident | 70.9 | Confident | 115 Ų | 115 | 119.5 Ų | 119.5 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -65 | 148.5 | 175.5 | 28.6 | -34.8 | 0 | 0 | 0 | 111.1 | | |
| 604 | P | 74.8 | Confident | 69.6 | Low | 126 Ų | 126 | 119.5 Ų | 119.5 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 144.5 | 178.2 | 27.6 | -34.8 | 0 | 0 | 0 | 111.5 | | |
| 605 | A | 74.7 | Confident | 68.2 | Low | 93 Ų | 93 | 122.7 Ų | 122.7 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 146.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 606 | P | 74.5 | Confident | 67.1 | Low | 117 Ų | 117 | 122.3 Ų | 122.3 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 149.3 | 175.1 | 29.2 | -35.1 | 0 | 0 | 0 | 111.5 | | |
| 607 | P | 77.5 | Confident | 66 | Low | 121 Ų | 121 | 119.9 Ų | 119.9 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -68 | 148.6 | 177.9 | 29 | -35.1 | 0 | 0 | 0 | 111.8 | | |
| 608 | P | 77.7 | Confident | 65.3 | Low | 115 Ų | 115 | 119.3 Ų | 119.3 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 150.3 | 179.2 | 29.8 | -35.4 | 0 | 0 | 0 | 112.1 | | |
| 609 | P | 75.8 | Confident | 64.9 | Low | 116 Ų | 116 | 119.2 Ų | 119.2 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69 | 150.2 | 174.4 | 29.9 | -35 | 0 | 0 | 0 | 111.7 | | |
| 610 | P | 75.6 | Confident | 64.7 | Low | 120 Ų | 120 | 117 Ų | 117 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 149.6 | 176.7 | 29 | -35 | 0 | 0 | 0 | 111.9 | | |
| 611 | P | 73 | Confident | 64.4 | Low | 125 Ų | 125 | 116.9 Ų | 116.9 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 137.3 | -176.3 | 28.7 | -35.1 | 0 | 0 | 0 | 112.3 | | |
| 612 | A | 66.8 | Low | 63.4 | Low | 101 Ų | 101 | 117.1 Ų | 117.1 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 131.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 613 | V | 67.3 | Low | 61.9 | Low | 139 Ų | 139 | 115.2 Ų | 115.2 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 133.7 | 171.7 | -76.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 614 | P | 60.9 | Low | 60.7 | Low | 123 Ų | 123 | 117.9 Ų | 117.9 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 150.7 | -178.4 | 33.1 | -35.3 | 0 | 0 | 0 | 112 | | |
| 615 | F | 55.1 | Low | 59.3 | Low | 204 Ų | 204 | 118.9 Ų | 118.9 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | | | trans | -123.1 | 118.5 | 166.8 | -142.9 | -89.2 | 0 | 0 | 0 | 110.4 | | |
| 616 | T | 55.6 | Low | 57.7 | Low | 127 Ų | 127 | 118.2 Ų | 118.2 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | | | trans | -74.2 | 155.6 | 172.7 | 48 | 0 | 0 | 0 | 0 | 111.1 | | |
| 617 | G | 44.4 | Very low | 56.2 | Low | 79 Ų | 79 | 117.7 Ų | 117.7 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | | | cis | 138.8 | 86.8 | 2.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 618 | A | 47.3 | Very low | 54.3 | Low | 96 Ų | 96 | 119.8 Ų | 119.8 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | | | trans | -160.5 | 122.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 619 | A | 45.3 | Very low | 52.6 | Low | 107 Ų | 107 | 118.8 Ų | 118.8 | 88% | 0.884 | 81% | 0.81 | S | S | * | * | | | | 70.3 | 113.9 | 68.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 620 | G | 47.5 | Very low | 50.9 | Low | 67 Ų | 67 | 119.4 Ų | 119.4 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | | | cis | 176.6 | -175.9 | -5.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 621 | T | 48.6 | Very low | 49.2 | Very low | 143 Ų | 143 | 117.5 Ų | 117.5 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | | | trans | 62.3 | 110.3 | 157.9 | 53.9 | 0 | 0 | 0 | 0 | 123.2 | | |
| 622 | A | 43.5 | Very low | 47.6 | Very low | 110 Ų | 110 | 119.9 Ų | 119.9 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | | | | 80.9 | 148 | 127.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 623 | G | 44.5 | Very low | 46.4 | Very low | 75 Ų | 75 | 123.3 Ų | 123.3 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | | | trans | 96.1 | 88 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 624 | Q | 44.5 | Very low | 45.1 | Very low | 172 Ų | 172 | 123 Ų | 123 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | | | | 85.2 | 127.3 | 63 | -145.6 | -169.4 | -38.1 | 0 | 0 | 114.6 | | |
| 625 | D | 45.4 | Very low | 44.8 | Very low | 147 Ų | 147 | 123 Ų | 123 | 79% | 0.786 | 83% | 0.827 | S | S | * | * | | | trans | 62.3 | 139.3 | 167.1 | -53.3 | -31.9 | 0 | 0 | 0 | 120.9 | | |
| 626 | G | 41.1 | Very low | 43.9 | Very low | 78 Ų | 78 | 119 Ų | 119 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | trans | 145 | 77.3 | 164 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 627 | S | 41.8 | Very low | 43.3 | Very low | 106 Ų | 106 | 121 Ų | 121 | 74% | 0.741 | 83% | 0.829 | S | S | * | * | | | trans | 14.1 | 123.5 | 149.3 | -175.5 | 0 | 0 | 0 | 0 | 122.5 | | |
| 628 | L | 39.2 | Very low | 43.1 | Very low | 166 Ų | 166 | 128.6 Ų | 128.6 | 87% | 0.869 | 83% | 0.833 | S | S | * | * | | | trans | 24.7 | 117.2 | 135.3 | -55.2 | 170.2 | 0 | 0 | 0 | 120.2 | | |
| 629 | A | 42 | Very low | 42.7 | Very low | 94 Ų | 94 | 129 Ų | 129 | 78% | 0.777 | 83% | 0.828 | S | S | * | * | | | | 176.4 | 148.4 | 115.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 630 | S | 39.9 | Very low | 43.5 | Very low | 128 Ų | 128 | 130 Ų | 130 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | | | trans | 34.2 | 113.1 | 150.4 | -56.6 | 0 | 0 | 0 | 0 | 121 | | |
| 631 | G | 39.3 | Very low | 43.2 | Very low | 81 Ų | 81 | 134.8 Ų | 134.8 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | | | trans | -169.1 | 106.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 632 | L | 39.2 | Very low | 43.3 | Very low | 174 Ų | 174 | 135.5 Ų | 135.5 | 91% | 0.911 | 83% | 0.829 | S | S | * | * | | | trans | -64.4 | 143.1 | 172 | -67.5 | 155.9 | 0 | 0 | 0 | 111.7 | | |
| 633 | L | 41.9 | Very low | 43.5 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | | | trans | -173.8 | 119.5 | 136.4 | -105 | 164.9 | 0 | 0 | 0 | 111.8 | | |
| 634 | T | 39.3 | Very low | 43.4 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | | | trans | -105.8 | 124.5 | 171 | 33.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 635 | P | 54.7 | Low | 43.4 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | | | trans | -81.9 | 130.9 | 170.3 | 31.6 | -31.4 | 0 | 0 | 0 | 110.8 | | |
| 636 | S | 36.2 | Very low | 43.2 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | | | trans | -96.2 | 128.5 | 172.5 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 637 | L | 43.7 | Very low | 43.1 | Very low | 171 Ų | 171 | 139.2 Ų | 139.2 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | | | trans | -133.1 | 120 | 173.1 | -77.6 | 171.3 | 0 | 0 | 0 | 110.5 | | |
| 638 | R | 41.2 | Very low | 43.2 | Very low | 238 Ų | 238 | 137.9 Ų | 137.9 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 159.3 | 170.1 | -115.7 | -168.6 | 153.5 | 142.9 | -5.7 | 110.1 | | |
| 639 | P | 37.4 | Very low | 43.1 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 68% | 0.682 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 160.3 | -167.9 | 35.3 | -36.3 | 0 | 0 | 0 | 113.4 | | |
| 640 | P | 61.8 | Low | 43 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 149.7 | 163 | 32.6 | -34 | 0 | 0 | 0 | 111.5 | | |
| 641 | M | 41.5 | Very low | 43 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 83% | 0.828 | 82% | 0.815 | S | S | * | * | | | trans | -117.6 | -179.1 | 166.3 | -95.1 | -161 | 72.2 | 0 | 0 | 109.6 | | |
| 642 | L | 51 | Low | 42.8 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | | | trans | 89.9 | 156.4 | 170.2 | -54 | 173.7 | 0 | 0 | 0 | 115.2 | | |
| 643 | P | 48.9 | Very low | 42.8 | Very low | 91 Ų | 91 | 135.4 Ų | 135.4 | 59% | 0.591 | 81% | 0.812 | S | S | * | * | | | cis | -141.9 | -178.3 | -34.1 | 34.1 | -15.6 | 0 | 0 | 0 | 115.3 | | |
| 644 | F | 42.5 | Very low | 42.6 | Very low | 182 Ų | 182 | 132.1 Ų | 132.1 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | | | trans | 72.3 | 148.6 | 154.9 | -69.5 | -43.8 | 0 | 0 | 0 | 118.7 | | |
| 645 | M | 43.9 | Very low | 42.2 | Very low | 144 Ų | 144 | 130.8 Ų | 130.8 | 71% | 0.709 | 81% | 0.813 | S | S | * | * | | | cis | -152.3 | 161.5 | 3.8 | -98.6 | -116.2 | -163.4 | 0 | 0 | 112.1 | | |
| 646 | L | 41.1 | Very low | 41.3 | Very low | 166 Ų | 166 | 130 Ų | 130 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | | | trans | 60.7 | 139.5 | 163.3 | -91.6 | 62.3 | 0 | 0 | 0 | 119.1 | | |
| 647 | G | 38.6 | Very low | 41.4 | Very low | 78 Ų | 78 | 129 Ų | 129 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | cis | 177.1 | 155.1 | -7.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 648 | G | 44.2 | Very low | 40.9 | Very low | 77 Ų | 77 | 128.8 Ų | 128.8 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | | | trans | 94.6 | 111.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 649 | A | 37.8 | Very low | 41 | Very low | 101 Ų | 101 | 122.1 Ų | 122.1 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | | | cis | 72.3 | 124.8 | 46.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 650 | E | 39.6 | Very low | 40.9 | Very low | 195 Ų | 195 | 123.2 Ų | 123.2 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | | | cis | -98 | -168.3 | -4.4 | -64.8 | -151.2 | 82.3 | 0 | 0 | 111.6 | | |
| 651 | A | 39.8 | Very low | 39.7 | Very low | 91 Ų | 91 | 125.1 Ų | 125.1 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | | | cis | -148.9 | -173.7 | 6.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 652 | A | 35.6 | Very low | 39.3 | Very low | 100 Ų | 100 | 121 Ų | 121 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | | | trans | -147.4 | 176.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 653 | A | 37.7 | Very low | 38.5 | Very low | 105 Ų | 105 | 123 Ų | 123 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | | | trans | 76.4 | 133.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 654 | A | 37.3 | Very low | 37.8 | Very low | 103 Ų | 103 | 124.4 Ų | 124.4 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | | | cis | -143.8 | 148.7 | -2.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 655 | A | 32 | Very low | 37.4 | Very low | 106 Ų | 106 | 123.1 Ų | 123.1 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | | | trans | -150.6 | 112.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 656 | A | 36 | Very low | 36.9 | Very low | 107 Ų | 107 | 122.6 Ų | 122.6 | 88% | 0.884 | 82% | 0.82 | S | S | * | * | | | trans | -166 | 143.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 657 | A | 37.5 | Very low | 36.4 | Very low | 98 Ų | 98 | 120.1 Ų | 120.1 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | | | cis | -140.3 | 167.8 | 2.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 658 | L | 34.2 | Very low | 36.2 | Very low | 165 Ų | 165 | 126.6 Ų | 126.6 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | | | trans | -123.1 | -175.4 | 172.9 | -86.4 | 170.6 | 0 | 0 | 0 | 107.3 | | |
| 659 | P | 43.1 | Very low | 35.7 | Very low | 99 Ų | 99 | 130.4 Ų | 130.4 | 64% | 0.643 | 81% | 0.809 | S | S | * | * | | | cis | -133.8 | -156.8 | -20.2 | 23 | 3.3 | 0 | 0 | 0 | 112.3 | | |
| 660 | T | 35.8 | Very low | 35.5 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | | | trans | 81.9 | 151.3 | 159.1 | 73.6 | 0 | 0 | 0 | 0 | 117.4 | | |
| 661 | L | 35 | Very low | 35.3 | Very low | 168 Ų | 168 | 125.9 Ų | 125.9 | 88% | 0.88 | 78% | 0.78 | S | S | * | * | | | cis | -133.3 | 179.9 | 3.5 | -158.5 | 69.7 | 0 | 0 | 0 | 110.6 | | |
| 662 | A | 33.6 | Very low | 35 | Very low | 82 Ų | 82 | 129.2 Ų | 129.2 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | trans | -125.5 | -171.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 663 | Q | 34.8 | Very low | 34.9 | Very low | 197 Ų | 197 | 128.8 Ų | 128.8 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | | | trans | 87 | 146 | 177.9 | -54.3 | 172.9 | -17.1 | 0 | 0 | 114.8 | | |
| 664 | S | 34.9 | Very low | 34.8 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | | | cis | -146.7 | 173 | 0.9 | 57.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 665 | L | 33.5 | Very low | 34.8 | Very low | 154 Ų | 154 | 132 Ų | 132 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | | | trans | -69.8 | 159.7 | -171.6 | -69.1 | 154.8 | 0 | 0 | 0 | 118.9 | | |
| 666 | N | 32.9 | Very low | 35 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | | | | 97.1 | 141.3 | 129.5 | -91.4 | 28.6 | 0 | 0 | 0 | 126.4 | | |
| 667 | D | 31.3 | Very low | 35.2 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | | | trans | 92 | 123.6 | 141.8 | -86 | -67.7 | 0 | 0 | 0 | 124.6 | | |
| 668 | R | 34.2 | Very low | 35.6 | Very low | 214 Ų | 214 | 137 Ų | 137 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | | | trans | 72.1 | 90.1 | 139.5 | -71.8 | 160.8 | -170.5 | -130 | -4.1 | 124.4 | | |
| 669 | L | 32.5 | Very low | 35.8 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | | | | 22.7 | 141 | 110.2 | -75 | 171.6 | 0 | 0 | 0 | 122.9 | | |
| 670 | L | 34.4 | Very low | 35.6 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | | | trans | 83.5 | 103 | 143.6 | -72.6 | 162.6 | 0 | 0 | 0 | 122.2 | | |
| 671 | S | 35.2 | Very low | 36.1 | Very low | 52 Ų | 52 | 134.9 Ų | 134.9 | 36% | 0.364 | 75% | 0.752 | S | S | . | * | | | | 174.8 | 137.6 | 122.6 | 34.9 | 0 | 0 | 0 | 0 | 108.7 | L895 | S671-L895 VanDerWaalsContact OG-CD2 3.31Å; S671-L895 WeakPolarHBondContact OG-CD2 3.44Å |
| 672 | Q | 33.1 | Very low | 36 | Very low | 161 Ų | 161 | 138.5 Ų | 138.5 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | | | cis | 64.7 | 132 | 45.1 | -74.1 | -157.9 | 8 | 0 | 0 | 114.4 | | |
| 673 | S | 33.9 | Very low | 36.2 | Very low | 92 Ų | 92 | 139.4 Ų | 139.4 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | | | cis | -177.3 | -171.3 | 0.2 | 44.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 674 | V | 35.7 | Very low | 36.4 | Very low | 121 Ų | 121 | 138 Ų | 138 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | | | trans | 89.7 | 154.6 | 154.1 | -151.7 | 0 | 0 | 0 | 0 | 120.1 | | |
| 675 | I | 37.8 | Very low | 36.7 | Very low | 155 Ų | 155 | 138.3 Ų | 138.3 | 80% | 0.795 | 76% | 0.759 | S | S | * | * | | | trans | 92.5 | 130.1 | 161.8 | -50.8 | 177.5 | 0 | 0 | 0 | 116.4 | | |
| 676 | Q | 35.5 | Very low | 36.8 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | | | cis | -166.2 | 155.1 | -46 | -121.6 | -171.9 | -22.3 | 0 | 0 | 108.5 | | |
| 677 | P | 40.1 | Very low | 36.9 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 153.7 | -177.9 | 37.8 | -32 | 0 | 0 | 0 | 114.4 | | |
| 678 | P | 46 | Very low | 37.5 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 149.8 | 169.3 | 34.7 | -32.3 | 0 | 0 | 0 | 113.7 | | |
| 679 | T | 39.4 | Very low | 37.8 | Very low | 138 Ų | 138 | 129.6 Ų | 129.6 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 161.8 | -172.3 | 44.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 680 | S | 38.5 | Very low | 38.2 | Very low | 101 Ų | 101 | 126 Ų | 126 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 165.3 | 164.7 | -171.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 681 | P | 45.1 | Very low | 38.7 | Very low | 109 Ų | 109 | 122.9 Ų | 122.9 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | | | | -148.6 | 146.6 | 101.5 | 37.7 | -21 | 0 | 0 | 0 | 118.4 | | |
| 682 | W | 34.2 | Very low | 39.2 | Very low | 244 Ų | 244 | 128.4 Ų | 128.4 | 92% | 0.924 | 80% | 0.799 | S | S | * | * | | | trans | 35.1 | 125.1 | 134.2 | -62.3 | 67.4 | 0 | 0 | 0 | 122.7 | | |
| 683 | A | 36.7 | Very low | 40 | Very low | 101 Ų | 101 | 125.7 Ų | 125.7 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | | -174.4 | 145.7 | 126.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 684 | L | 39.6 | Very low | 40.5 | Very low | 166 Ų | 166 | 128.5 Ų | 128.5 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | | | trans | -115.3 | 148.9 | 162.9 | -87.2 | 166.4 | 0 | 0 | 0 | 107.6 | | |
| 685 | P | 41.2 | Very low | 40.8 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | | | | -144.8 | -171.7 | 74.3 | 33.1 | -10.9 | 0 | 0 | 0 | 113.1 | | |
| 686 | G | 35.5 | Very low | 41.4 | Very low | 68 Ų | 68 | 126.9 Ų | 126.9 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | | | cis | 146.8 | 112.1 | -11.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 687 | A | 35.3 | Very low | 42 | Very low | 98 Ų | 98 | 124.4 Ų | 124.4 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | trans | 60.7 | 146 | 163.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 688 | I | 44.4 | Very low | 42.4 | Very low | 163 Ų | 163 | 127.8 Ų | 127.8 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | | | | 172.3 | 127.1 | 116.1 | -86.9 | 161.3 | 0 | 0 | 0 | 113.3 | | |
| 689 | A | 39.7 | Very low | 42.2 | Very low | 103 Ų | 103 | 124.6 Ų | 124.6 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | 31.2 | 148.1 | 151.8 | 0 | 0 | 0 | 0 | 0 | 125.6 | | |
| 690 | G | 40.9 | Very low | 42.4 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | | | trans | 165.8 | 87.1 | 149.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 691 | G | 44.8 | Very low | 42.6 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | | | trans | 101.4 | 112.4 | 147.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 692 | I | 45.2 | Very low | 42.7 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 86% | 0.862 | 80% | 0.802 | S | S | * | * | | | trans | -129.3 | -166.8 | 155.8 | -10.1 | 174.3 | 0 | 0 | 0 | 107.4 | | |
| 693 | P | 50.2 | Low | 43.1 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | | | cis | -113.1 | -156.9 | 16.2 | 26.1 | 0.1 | 0 | 0 | 0 | 112 | | |
| 694 | L | 44 | Very low | 43.1 | Very low | 151 Ų | 151 | 131.4 Ų | 131.4 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | cis | -138.4 | 159.7 | 16.5 | -76.7 | 165.8 | 0 | 0 | 0 | 108.8 | | |
| 695 | M | 41.8 | Very low | 43.2 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | | | cis | 88.3 | 141.8 | 32.6 | -65.2 | -80 | 92 | 0 | 0 | 115.5 | | |
| 696 | P | 52.4 | Low | 42.9 | Very low | 92 Ų | 92 | 132.6 Ų | 132.6 | 60% | 0.597 | 78% | 0.784 | S | S | * | * | | | cis | -146.6 | -162.7 | -23.3 | 40.3 | -19.8 | 0 | 0 | 0 | 115.5 | | |
| 697 | T | 46.3 | Very low | 42.9 | Very low | 118 Ų | 118 | 139 Ų | 139 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | | | trans | 68.9 | 132.1 | 155.6 | 44.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 698 | M | 48.3 | Very low | 43.1 | Very low | 183 Ų | 183 | 141.3 Ų | 141.3 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | | | cis | -144.3 | 174.9 | -1.8 | -63.4 | -158.1 | -174.1 | 0 | 0 | 109.2 | | |
| 699 | G | 42.9 | Very low | 42.8 | Very low | 64 Ų | 64 | 137.4 Ų | 137.4 | 66% | 0.66 | 79% | 0.786 | S | S | * | * | | | cis | 135.8 | 149.5 | -5.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 700 | R | 44.2 | Very low | 42.4 | Very low | 248 Ų | 248 | 136.2 Ų | 136.2 | 94% | 0.936 | 78% | 0.783 | S | S | * | * | | | trans | 73.5 | 148.2 | -176.4 | -62.2 | -171.6 | -178 | -147.6 | 0 | 116.5 | | |
| 701 | S | 41.9 | Very low | 42.9 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | | | cis | 179.4 | 150.3 | -18.4 | 56.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 702 | M | 48.1 | Very low | 42.7 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | | | cis | -139.7 | 176 | 6.7 | -60.2 | 179.5 | -65.5 | 0 | 0 | 109.7 | | |
| 703 | Q | 41.3 | Very low | 42.4 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | | | trans | -150 | -151.8 | 164.6 | -148.6 | 163.7 | 7.8 | 0 | 0 | 109 | | |
| 704 | D | 37.4 | Very low | 42 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | | | trans | 72.4 | 156.7 | 175.7 | -46.8 | -39.5 | 0 | 0 | 0 | 116.4 | | |
| 705 | H | 42 | Very low | 41.6 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | | | cis | -126.6 | 154.4 | 1.4 | -48.5 | -98.2 | 0 | 0 | 0 | 108.4 | | |
| 706 | L | 35.1 | Very low | 41.6 | Very low | 146 Ų | 146 | 134.5 Ų | 134.5 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | | | cis | 78.3 | 122.1 | 24.4 | -147 | 90.9 | 0 | 0 | 0 | 116.9 | | |
| 707 | R | 35.4 | Very low | 41.2 | Very low | 204 Ų | 204 | 137.2 Ų | 137.2 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | trans | 85.2 | 153.9 | 156 | -121.4 | -169.4 | -178.6 | 119.5 | 0.6 | 120.1 | | |
| 708 | D | 39.4 | Very low | 40.9 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | | | trans | 61.9 | 144.1 | 164.6 | -47.8 | -34.2 | 0 | 0 | 0 | 118.2 | | |
| 709 | G | 37.3 | Very low | 40.3 | Very low | 81 Ų | 81 | 135 Ų | 135 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | | | cis | 164.5 | 153.5 | -9.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 710 | G | 32.6 | Very low | 40.2 | Very low | 78 Ų | 78 | 137.9 Ų | 137.9 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | 127.9 | 148.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 711 | P | 49.7 | Very low | 40.5 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | | | trans | -120.7 | -177.5 | -177.9 | 43.9 | -33 | 0 | 0 | 0 | 114.3 | | |
| 712 | L | 41.2 | Very low | 40.6 | Very low | 174 Ų | 174 | 132.9 Ų | 132.9 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | | | trans | 161.6 | 158.3 | 148.8 | -86.7 | 160.4 | 0 | 0 | 0 | 108.5 | | |
| 713 | A | 38.9 | Very low | 40.7 | Very low | 81 Ų | 81 | 129.4 Ų | 129.4 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | | | cis | -170.2 | 171.9 | -37.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 714 | A | 41.6 | Very low | 40.9 | Very low | 104 Ų | 104 | 125.8 Ų | 125.8 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | | | trans | 67.6 | 138.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 715 | G | 36.8 | Very low | 41 | Very low | 64 Ų | 64 | 126.5 Ų | 126.5 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | | | cis | 105 | 133.7 | 10.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 716 | L | 41.3 | Very low | 40.7 | Very low | 156 Ų | 156 | 122 Ų | 122 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | | | cis | -153.3 | 175 | 19 | -58.2 | 172.5 | 0 | 0 | 0 | 109 | | |
| 717 | Q | 43.1 | Very low | 40.7 | Very low | 148 Ų | 148 | 119.8 Ų | 119.8 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | | | cis | -152.9 | -114.7 | 1.5 | -139.1 | 174.1 | 24.5 | 0 | 0 | 114.4 | | |
| 718 | F | 40.2 | Very low | 40.7 | Very low | 186 Ų | 186 | 115.5 Ų | 115.5 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | | | trans | -96.1 | 173.5 | -173.6 | -51.3 | -73.8 | 0 | 0 | 0 | 112.8 | | |
| 719 | G | 35.8 | Very low | 40.6 | Very low | 70 Ų | 70 | 115.5 Ų | 115.5 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | cis | -174.7 | -177.1 | 5.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 720 | P | 42 | Very low | 40.6 | Very low | 123 Ų | 123 | 119.8 Ų | 119.8 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | trans | -121.8 | -167.6 | -160.4 | 43.8 | -31.9 | 0 | 0 | 0 | 114.7 | | |
| 721 | P | 49.2 | Very low | 40.8 | Very low | 113 Ų | 113 | 122.7 Ų | 122.7 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | | | cis | -132.8 | -159.5 | -47.8 | 33.4 | -11.9 | 0 | 0 | 0 | 113.5 | | |
| 722 | V | 45.3 | Very low | 40.2 | Very low | 131 Ų | 131 | 124.9 Ų | 124.9 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | 97.4 | 134.1 | 162.1 | -170 | 0 | 0 | 0 | 0 | 117.5 | | |
| 723 | P | 48.7 | Very low | 40.3 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | | | trans | -109 | -174 | -176.2 | 46.4 | -38 | 0 | 0 | 0 | 113.1 | | |
| 724 | P | 45.4 | Very low | 40.5 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | | | | -155.3 | -177.9 | 82.8 | 42.2 | -21.9 | 0 | 0 | 0 | 117.1 | | |
| 725 | T | 39.7 | Very low | 40.4 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 87% | 0.871 | 79% | 0.79 | S | S | * | * | | | trans | 60.1 | 133.2 | 155.3 | 47.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 726 | G | 37 | Very low | 40.5 | Very low | 80 Ų | 80 | 137.4 Ų | 137.4 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | 156.7 | 101.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 727 | A | 35 | Very low | 40.9 | Very low | 99 Ų | 99 | 138 Ų | 138 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -80.3 | 144.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 728 | S | 34.4 | Very low | 41.5 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | trans | 176.6 | 132 | 134.7 | -81.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 729 | L | 38 | Very low | 42.4 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | trans | 151.1 | 84.7 | 138.1 | -83.2 | 167.5 | 0 | 0 | 0 | 112.2 | L731 | L729-L731 HydrophobicContact CB-CD1 4.45Å; L729-L731 HydrophobicContact CD2-CD1 4.15Å; L729-L731 HydrophobicContact CD2-CG 4.3Å; L729-L731 PolarHBondContact O-N 3.02Å |
| 730 | D | 37.1 | Very low | 43.6 | Very low | 170 Ų | 170 | 133.7 Ų | 133.7 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | | | trans | -75.9 | 109.6 | 160.8 | -98.8 | -48.3 | 0 | 0 | 0 | 109.5 | | |
| 731 | L | 35.9 | Very low | 44 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | | | trans | -120.2 | 40.7 | -177.1 | -87.6 | 171.8 | 0 | 0 | 0 | 113.2 | L729 | L729-L731 HydrophobicContact CB-CD1 4.45Å; L729-L731 HydrophobicContact CD2-CD1 4.15Å; L729-L731 HydrophobicContact CD2-CG 4.3Å; L729-L731 PolarHBondContact O-N 3.02Å |
| 732 | L | 38.2 | Very low | 43.8 | Very low | 169 Ų | 169 | 138.2 Ų | 138.2 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | | | trans | -135.7 | 84.2 | 175.2 | -72 | 176.9 | 0 | 0 | 0 | 113.1 | | |
| 733 | R | 42.5 | Very low | 44.1 | Very low | 238 Ų | 238 | 135.8 Ų | 135.8 | 90% | 0.898 | 77% | 0.774 | S | S | * | * | | | trans | -137.6 | 144.3 | 155 | -95 | -171.6 | 173.6 | 179 | -0.8 | 110.7 | | |
| 734 | P | 42.8 | Very low | 44.2 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -79 | 154.9 | -172.3 | 32.3 | -36.1 | 0 | 0 | 0 | 113.1 | S736 | P734-S736 PolarHBondContact O-N 3.37Š|
| 735 | F | 40.3 | Very low | 44.3 | Very low | 208 Ų | 208 | 143 Ų | 143 | 91% | 0.912 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 128.7 | 176.3 | -67.3 | -92.9 | 0 | 0 | 0 | 111.9 | | |
| 736 | S | 39.5 | Very low | 44.6 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -95 | 122.3 | 162.7 | -61.2 | 0 | 0 | 0 | 0 | 108.7 | P734 | P734-S736 PolarHBondContact O-N 3.37Š|
| 737 | L | 49.8 | Very low | 45.4 | Very low | 167 Ų | 167 | 145.2 Ų | 145.2 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 138.2 | 176.1 | -82.7 | 162.4 | 0 | 0 | 0 | 110.8 | | |
| 738 | D | 54.8 | Low | 46 | Very low | 91 Ų | 91 | 146.7 Ų | 146.7 | 49% | 0.487 | 77% | 0.772 | S | S | . | * | P | Polyproline II helix | trans | -70.8 | 123.3 | -179.1 | -176.4 | -17.2 | 0 | 0 | 0 | 110.9 | N740 Y741 | D738-N740 PolarHBondContact O-N 3.4Å; D738-N740 VanDerWaalsContact O-N 3.1Å; D738-N740 WeakPolarHBondContact OD1-CB 3.4Å; D738-N740 PolarHBondContact OD1-N 2.86Å; D738-N740 PolarHBondContact OD1-ND2 2.99Å; D738-Y741 PolarHBondContact O-N 3.38Å |
| 739 | P | 59.4 | Low | 46.4 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -61.6 | -17.2 | 179.7 | 25.7 | -35.2 | 0 | 0 | 0 | 114.2 | Y741 | P739-Y741 VanDerWaalsContact C-N 3.28Å; P739-Y741 PolarHBondContact O-N 2.9Å |
| 740 | N | 61.1 | Low | 46.8 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 59% | 0.594 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -74.7 | -12.3 | -178.4 | -65.2 | -77.5 | 0 | 0 | 0 | 114.2 | D738 L742 A743 | D738-N740 PolarHBondContact O-N 3.4Å; D738-N740 VanDerWaalsContact O-N 3.1Å; D738-N740 WeakPolarHBondContact OD1-CB 3.4Å; D738-N740 PolarHBondContact OD1-N 2.86Å; D738-N740 PolarHBondContact OD1-ND2 2.99Å; N740-L742 VanDerWaalsContact C-N 3.34Å; N740-L742 PolarHBondContact O-N 2.94Å; N740-A743 PolarHBondContact O-N 3.19Å |
| 741 | Y | 49.1 | Very low | 46.9 | Very low | 182 Ų | 182 | 145 Ų | 145 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -71.3 | -25 | -175.4 | -120.7 | -92.8 | 0 | 0 | 0 | 114.2 | D738 P739 A743 | D738-Y741 PolarHBondContact O-N 3.38Å; P739-Y741 VanDerWaalsContact C-N 3.28Å; P739-Y741 PolarHBondContact O-N 2.9Å; Y741-A743 VanDerWaalsContact C-N 3.35Å |
| 742 | L | 46.7 | Very low | 46.8 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -74.1 | -23.7 | 176.7 | -81.2 | 166 | 0 | 0 | 0 | 113.3 | N740 R744 | N740-L742 VanDerWaalsContact C-N 3.34Å; N740-L742 PolarHBondContact O-N 2.94Å; L742-R744 PolarHBondContact O-N 2.93Å |
| 743 | A | 51.7 | Low | 46.7 | Very low | 79 Ų | 79 | 137.5 Ų | 137.5 | 65% | 0.653 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -74.5 | -0.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N740 Y741 | N740-A743 PolarHBondContact O-N 3.19Å; Y741-A743 VanDerWaalsContact C-N 3.35Å |
| 744 | R | 48.9 | Very low | 46.4 | Very low | 221 Ų | 221 | 135.5 Ų | 135.5 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -114.4 | 7.7 | -175.3 | -71.1 | -172.1 | 167.9 | -155.3 | -3.8 | 115.1 | L742 | L742-R744 PolarHBondContact O-N 2.93Š|
| 745 | L | 47.5 | Very low | 46.2 | Very low | 144 Ų | 144 | 139.4 Ų | 139.4 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -115.6 | 10.9 | 179.8 | -68.3 | 175.4 | 0 | 0 | 0 | 113.9 | | |
| 746 | Q | 46.5 | Very low | 46.3 | Very low | 169 Ų | 169 | 141 Ų | 141 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 121.1 | 176.6 | -165.7 | 168.3 | 8.7 | 0 | 0 | 110.1 | | |
| 747 | P | 53.6 | Low | 46.9 | Very low | 99 Ų | 99 | 140.2 Ų | 140.2 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 152.1 | 177.4 | 30.2 | -34.9 | 0 | 0 | 0 | 111.1 | V749 | P747-V749 PolarHBondContact O-N 3.46Š|
| 748 | P | 48.9 | Very low | 47 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 84% | 0.844 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 119.7 | -179.9 | 28.5 | -34 | 0 | 0 | 0 | 110.9 | A750 | P748-A750 PolarHBondContact O-N 2.93Š|
| 749 | V | 42.9 | Very low | 47.2 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 84% | 0.836 | 76% | 0.757 | S | S | * | * | | | trans | -81.8 | 108 | 165.4 | -179.7 | 0 | 0 | 0 | 0 | 107.3 | P747 | P747-V749 PolarHBondContact O-N 3.46Š|
| 750 | A | 44.7 | Very low | 47.3 | Very low | 89 Ų | 89 | 134.7 Ų | 134.7 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | | | trans | -92 | 150 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | P748 | P748-A750 PolarHBondContact O-N 2.93Š|
| 751 | D | 40.6 | Very low | 47.8 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 90% | 0.898 | 75% | 0.752 | S | S | * | * | | | trans | -69.1 | 150.1 | -169.7 | -65.7 | -74.8 | 0 | 0 | 0 | 115.8 | | |
| 752 | G | 32.6 | Very low | 48.9 | Very low | 85 Ų | 85 | 129 Ų | 129 | 88% | 0.876 | 74% | 0.743 | S | S | * | * | | | trans | 70.1 | 77.3 | 143.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 753 | G | 37.1 | Very low | 50.3 | Low | 66 Ų | 66 | 126.4 Ų | 126.4 | 68% | 0.68 | 73% | 0.733 | S | S | * | * | | | trans | -156.4 | 106.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | F755 | G753-F755 PolarHBondContact O-N 3.33Š|
| 754 | M | 35.9 | Very low | 51.7 | Low | 195 Ų | 195 | 127 Ų | 127 | 96% | 0.961 | 73% | 0.725 | S | S | * | * | | | trans | -78 | 102.5 | 174.6 | -72.3 | -128.1 | -64.4 | 0 | 0 | 111.8 | | |
| 755 | F | 39.4 | Very low | 53.4 | Low | 199 Ų | 199 | 122.4 Ų | 122.4 | 87% | 0.873 | 72% | 0.716 | S | S | * | * | | | trans | -114.2 | 143.9 | 169.3 | -87.1 | -89.2 | 0 | 0 | 0 | 112.3 | G753 | G753-F755 PolarHBondContact O-N 3.33Š|
| 756 | R | 42.6 | Very low | 55.3 | Low | 241 Ų | 241 | 120.8 Ų | 120.8 | 91% | 0.909 | 71% | 0.705 | S | S | * | * | | | trans | -86.1 | 113.6 | -162.9 | -59 | 179.5 | -178.6 | -166.7 | -0.2 | 112.3 | | |
| 757 | T | 50.3 | Low | 57.2 | Low | 109 Ų | 109 | 121 Ų | 121 | 67% | 0.669 | 70% | 0.698 | S | S | * | * | | | trans | -76.2 | -19.3 | 172.9 | 46.9 | 0 | 0 | 0 | 0 | 114.4 | G759 L760 | T757-G759 PolarHBondContact O-N 3.44Å; T757-L760 PolarHBondContact O-N 2.9Å; T757-L760 VanDerWaalsContact O-N 3.09Å |
| 758 | A | 53.3 | Low | 59 | Low | 72 Ų | 72 | 121.2 Ų | 121.2 | 60% | 0.595 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -54.9 | -14.2 | -168 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 759 | G | 58.5 | Low | 61 | Low | 52 Ų | 52 | 119.3 Ų | 119.3 | 54% | 0.536 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -73.2 | -36.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | T757 V763 | T757-G759 PolarHBondContact O-N 3.44Å; G759-V763 PolarHBondContact O-N 2.91Å |
| 760 | L | 60.3 | Low | 63.3 | Low | 129 Ų | 129 | 117.9 Ų | 117.9 | 68% | 0.675 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -74.6 | -40.8 | -176.2 | -93.7 | 163.4 | 0 | 0 | 0 | 112.3 | T757 S762 V763 L764 | T757-L760 PolarHBondContact O-N 2.9Å; T757-L760 VanDerWaalsContact O-N 3.09Å; L760-S762 VanDerWaalsContact C-N 3.31Å; L760-S762 PolarHBondContact O-N 3.03Å; L760-V763 PolarHBondContact O-N 3.46Å; L760-L764 WeakPolarHBondContact O-CG 3.3Å; L760-L764 PolarHBondContact O-N 3.01Å |
| 761 | D | 73.2 | Confident | 65.5 | Low | 100 Ų | 100 | 118.5 Ų | 118.5 | 54% | 0.535 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -63.4 | -37.6 | 178.7 | -60.9 | -47.8 | 0 | 0 | 0 | 111.7 | L764 L765 | D761-L764 PolarHBondContact O-N 3.47Å; D761-L765 VanDerWaalsContact O-CB 3.3Å; D761-L765 WeakPolarHBondContact O-CB 3.4Å; D761-L765 PolarHBondContact O-N 3.03Å |
| 762 | S | 72.2 | Confident | 67.9 | Low | 75 Ų | 75 | 114.9 Ų | 114.9 | 52% | 0.524 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -63.6 | -45 | 177.5 | -164.5 | 0 | 0 | 0 | 0 | 112.4 | L760 L765 E766 | L760-S762 VanDerWaalsContact C-N 3.31Å; L760-S762 PolarHBondContact O-N 3.03Å; S762-L765 PolarHBondContact O-N 3.24Å; S762-E766 PolarHBondContact O-N 3.37Å |
| 763 | V | 76.1 | Confident | 70.6 | Confident | 94 Ų | 94 | 117.6 Ų | 117.6 | 57% | 0.57 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.3 | -35.9 | 177.9 | 176 | 0 | 0 | 0 | 0 | 111.5 | G759 L760 R767 | G759-V763 PolarHBondContact O-N 2.91Å; L760-V763 PolarHBondContact O-N 3.46Å; V763-R767 WeakPolarHBondContact O-CB 3.42Å; V763-R767 PolarHBondContact O-N 3.23Å; V763-R767 VanDerWaalsContact O-N 3.09Å |
| 764 | L | 80.6 | Confident | 73.2 | Confident | 91 Ų | 91 | 120.5 Ų | 120.5 | 48% | 0.476 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69 | -36.8 | 173.1 | -73.1 | 171.8 | 0 | 0 | 0 | 112 | L760 D761 N768 | L760-L764 WeakPolarHBondContact O-CG 3.3Å; L760-L764 PolarHBondContact O-N 3.01Å; D761-L764 PolarHBondContact O-N 3.47Å; L764-N768 WeakPolarHBondContact O-CB 3.48Å; L764-N768 PolarHBondContact O-N 2.89Å; L764-N768 VanDerWaalsContact O-N 3.08Å; L764-N768 PolarHBondContact O-ND2 3Å |
| 765 | L | 84.6 | Confident | 75.8 | Confident | 125 Ų | 125 | 117.5 Ų | 117.5 | 65% | 0.654 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.7 | -50.8 | 176.1 | -167.7 | 72.5 | 0 | 0 | 0 | 110.8 | D761 S762 R767 N768 E769 | D761-L765 VanDerWaalsContact O-CB 3.3Å; D761-L765 WeakPolarHBondContact O-CB 3.4Å; D761-L765 PolarHBondContact O-N 3.03Å; S762-L765 PolarHBondContact O-N 3.24Å; L765-R767 PolarHBondContact O-N 2.82Å; L765-N768 PolarHBondContact O-N 2.89Å; L765-N768 VanDerWaalsContact O-N 3.15Å; L765-E769 PolarHBondContact O-N 2.99Å |
| 766 | E | 88.4 | Confident | 78.2 | Confident | 111 Ų | 111 | 113.7 Ų | 113.7 | 52% | 0.519 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -58.5 | -45.8 | 178.5 | -167.5 | -169.7 | 161.3 | 0 | 0 | 111.5 | S762 N768 E769 Q770 | S762-E766 PolarHBondContact O-N 3.37Å; E766-N768 VanDerWaalsContact C-N 3.31Å; E766-N768 PolarHBondContact O-N 3.37Å; E766-E769 PolarHBondContact O-N 3.48Å; E766-E769 VanDerWaalsContact O-N 3.16Å; E766-Q770 WeakPolarHBondContact O-CG 3.36Å; E766-Q770 PolarHBondContact O-N 2.98Å; E766-Q770 PolarHBondContact OE1-NE2 2.94Å |
| 767 | R | 86.5 | Confident | 80.3 | Confident | 173 Ų | 173 | 108.7 Ų | 108.7 | 65% | 0.653 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.2 | -36.6 | 177.8 | -174 | 176.9 | -178 | 177.5 | 2.9 | 112.8 | V763 L765 L771 | V763-R767 WeakPolarHBondContact O-CB 3.42Å; V763-R767 PolarHBondContact O-N 3.23Å; V763-R767 VanDerWaalsContact O-N 3.09Å; L765-R767 PolarHBondContact O-N 2.82Å; R767-L771 PolarHBondContact O-N 3.24Å |
| 768 | N | 90.7 | Very high | 82 | Confident | 103 Ų | 103 | 109 Ų | 109 | 55% | 0.551 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -70.6 | -36.6 | 175.2 | -79.9 | -58 | 0 | 0 | 0 | 111.9 | L764 L765 E766 L771 L772 | L764-N768 WeakPolarHBondContact O-CB 3.48Å; L764-N768 PolarHBondContact O-N 2.89Å; L764-N768 VanDerWaalsContact O-N 3.08Å; L764-N768 PolarHBondContact O-ND2 3Å; L765-N768 PolarHBondContact O-N 2.89Å; L765-N768 VanDerWaalsContact O-N 3.15Å; E766-N768 VanDerWaalsContact C-N 3.31Å; E766-N768 PolarHBondContact O-N 3.37Å; N768-L771 WeakPolarHBondContact O-CB 3.32Å; N768-L771 PolarHBondContact O-N 3.41Å; N768-L772 PolarHBondContact O-N 2.99Å |
| 769 | E | 91.3 | Very high | 83.3 | Confident | 91 Ų | 91 | 108.4 Ų | 108.4 | 43% | 0.425 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.8 | -42.2 | 177 | -156.2 | -166.6 | 146.1 | 0 | 0 | 112 | L765 E766 L771 L772 R773 | L765-E769 PolarHBondContact O-N 2.99Å; E766-E769 PolarHBondContact O-N 3.48Å; E766-E769 VanDerWaalsContact O-N 3.16Å; E769-L771 VanDerWaalsContact C-N 3.3Å; E769-L771 PolarHBondContact O-N 3.31Å; E769-L772 WeakPolarHBondContact O-CB 3.48Å; E769-L772 PolarHBondContact O-N 2.96Å; E769-L772 VanDerWaalsContact O-N 3.12Å; E769-R773 WeakPolarHBondContact O-CG 3.49Å; E769-R773 PolarHBondContact O-N 3.41Å; E769-R773 IonicContact OE1-CZ 3.72Å; E769-R773 VanDerWaalsContact OE1-CZ 3.26Å; E769-R773 IonicContact OE1-NE 3.22Å; E769-R773 PolarHBondContact OE1-NE 3.01Å; E769-R773 VanDerWaalsContact OE1-NE 3.09Å; E769-R773 IonicContact OE1-NH2 2.92Å; E769-R773 PolarHBondContact OE1-NH2 2.89Å |
| 770 | Q | 89.8 | Confident | 84.3 | Confident | 108 Ų | 108 | 108.5 Ų | 108.5 | 51% | 0.505 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.3 | -41.9 | 172.7 | -68.9 | 177.5 | 12.8 | 0 | 0 | 111.6 | E766 L772 R773 F774 | E766-Q770 WeakPolarHBondContact O-CG 3.36Å; E766-Q770 PolarHBondContact O-N 2.98Å; E766-Q770 PolarHBondContact OE1-NE2 2.94Å; Q770-L772 VanDerWaalsContact C-N 3.34Å; Q770-L772 PolarHBondContact O-N 3.24Å; Q770-R773 PolarHBondContact O-N 3.01Å; Q770-F774 PolarHBondContact O-N 3.26Å; Q770-F774 VanDerWaalsContact O-N 3.07Å |
| 771 | L | 91.2 | Very high | 85 | Confident | 102 Ų | 102 | 105.2 Ų | 105.2 | 53% | 0.534 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.2 | -36.7 | 174.4 | -101.4 | 163.4 | 0 | 0 | 0 | 113.1 | R767 N768 E769 Q775 | R767-L771 PolarHBondContact O-N 3.24Å; N768-L771 WeakPolarHBondContact O-CB 3.32Å; N768-L771 PolarHBondContact O-N 3.41Å; E769-L771 VanDerWaalsContact C-N 3.3Å; E769-L771 PolarHBondContact O-N 3.31Å; L771-Q775 PolarHBondContact O-N 3.13Å; L771-Q775 VanDerWaalsContact O-N 3.11Å |
| 772 | L | 91.7 | Very high | 85.1 | Confident | 91 Ų | 91 | 103.4 Ų | 103.4 | 48% | 0.476 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.1 | -49.1 | 177 | -167.9 | 69.7 | 0 | 0 | 0 | 111 | N768 E769 Q770 F774 Q775 E776 | N768-L772 PolarHBondContact O-N 2.99Å; E769-L772 WeakPolarHBondContact O-CB 3.48Å; E769-L772 PolarHBondContact O-N 2.96Å; E769-L772 VanDerWaalsContact O-N 3.12Å; Q770-L772 VanDerWaalsContact C-N 3.34Å; Q770-L772 PolarHBondContact O-N 3.24Å; L772-F774 VanDerWaalsContact C-N 3.3Å; L772-F774 PolarHBondContact O-N 3.14Å; L772-Q775 WeakPolarHBondContact O-CB 3.5Å; L772-Q775 PolarHBondContact O-N 3.48Å; L772-E776 WeakPolarHBondContact O-CG 3.31Å; L772-E776 PolarHBondContact O-N 3.49Å |
| 773 | R | 90.1 | Very high | 85 | Confident | 143 Ų | 143 | 102.1 Ų | 102.1 | 54% | 0.54 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.2 | -40.1 | 177.4 | -65.7 | 176.7 | -171.8 | -170.6 | 4.8 | 112 | E769 Q770 E776 Q777 | E769-R773 WeakPolarHBondContact O-CG 3.49Å; E769-R773 PolarHBondContact O-N 3.41Å; E769-R773 IonicContact OE1-CZ 3.72Å; E769-R773 VanDerWaalsContact OE1-CZ 3.26Å; E769-R773 IonicContact OE1-NE 3.22Å; E769-R773 PolarHBondContact OE1-NE 3.01Å; E769-R773 VanDerWaalsContact OE1-NE 3.09Å; E769-R773 IonicContact OE1-NH2 2.92Å; E769-R773 PolarHBondContact OE1-NH2 2.89Å; Q770-R773 PolarHBondContact O-N 3.01Å; R773-E776 PolarHBondContact O-N 2.89Å; R773-Q777 WeakPolarHBondContact O-CG 3.38Å; R773-Q777 PolarHBondContact O-N 3.4Å |
| 774 | F | 90.1 | Very high | 84.7 | Confident | 126 Ų | 126 | 102 Ų | 102 | 55% | 0.553 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.2 | -39.9 | 174.6 | -179.2 | -104.4 | 0 | 0 | 0 | 112.5 | Q770 L772 Q777 M778 | Q770-F774 PolarHBondContact O-N 3.26Å; Q770-F774 VanDerWaalsContact O-N 3.07Å; L772-F774 VanDerWaalsContact C-N 3.3Å; L772-F774 PolarHBondContact O-N 3.14Å; F774-Q777 PolarHBondContact O-N 3.49Å; F774-M778 HydrophobicContact CD1-CG 4.48Å; F774-M778 HydrophobicContact CE1-CG 4.08Å; F774-M778 HydrophobicContact CE2-CG 4.41Å; F774-M778 HydrophobicContact CZ-CG 4.04Å; F774-M778 HydrophobicContact CZ-SD 4.42Å; F774-M778 WeakPolarHBondContact O-CG 3.37Å; F774-M778 PolarHBondContact O-N 2.96Å |
| 775 | Q | 91.4 | Very high | 83.9 | Confident | 132 Ų | 132 | 101 Ų | 101 | 62% | 0.617 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.6 | -37.9 | 175.1 | 176.2 | 159.7 | 91.6 | 0 | 0 | 112.3 | L771 L772 M778 A779 | L771-Q775 PolarHBondContact O-N 3.13Å; L771-Q775 VanDerWaalsContact O-N 3.11Å; L772-Q775 WeakPolarHBondContact O-CB 3.5Å; L772-Q775 PolarHBondContact O-N 3.48Å; Q775-M778 PolarHBondContact O-N 3.48Å; Q775-A779 WeakPolarHBondContact O-CB 3.34Å; Q775-A779 PolarHBondContact O-N 2.94Å |
| 776 | E | 89.8 | Confident | 82.6 | Confident | 120 Ų | 120 | 99.2 Ų | 99.2 | 56% | 0.561 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.1 | -42.3 | 174.9 | -70.7 | 177.9 | 156.3 | 0 | 0 | 112.1 | L772 R773 A779 A780 | L772-E776 WeakPolarHBondContact O-CG 3.31Å; L772-E776 PolarHBondContact O-N 3.49Å; R773-E776 PolarHBondContact O-N 2.89Å; E776-A779 PolarHBondContact O-N 3.14Å; E776-A780 WeakPolarHBondContact O-CB 3.29Å; E776-A780 PolarHBondContact O-N 2.92Å |
| 777 | Q | 87.5 | Confident | 81 | Confident | 135 Ų | 135 | 100.5 Ų | 100.5 | 63% | 0.631 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.7 | -45.7 | 173.8 | -73.9 | 175.3 | -11.6 | 0 | 0 | 112.1 | R773 F774 A779 A780 A781 | R773-Q777 WeakPolarHBondContact O-CG 3.38Å; R773-Q777 PolarHBondContact O-N 3.4Å; F774-Q777 PolarHBondContact O-N 3.49Å; Q777-A779 VanDerWaalsContact C-N 3.34Å; Q777-A779 PolarHBondContact O-N 3.46Å; Q777-A780 PolarHBondContact O-N 3.3Å; Q777-A781 WeakPolarHBondContact O-CB 3.41Å; Q777-A781 PolarHBondContact O-N 3.33Å |
| 778 | M | 84 | Confident | 79.2 | Confident | 116 Ų | 116 | 100 Ų | 100 | 57% | 0.571 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.3 | -38 | 175.4 | -74.5 | -70.8 | -74.7 | 0 | 0 | 112.4 | F774 Q775 A782 | F774-M778 HydrophobicContact CD1-CG 4.48Å; F774-M778 HydrophobicContact CE1-CG 4.08Å; F774-M778 HydrophobicContact CE2-CG 4.41Å; F774-M778 HydrophobicContact CZ-CG 4.04Å; F774-M778 HydrophobicContact CZ-SD 4.42Å; F774-M778 WeakPolarHBondContact O-CG 3.37Å; F774-M778 PolarHBondContact O-N 2.96Å; Q775-M778 PolarHBondContact O-N 3.48Å; M778-A782 WeakPolarHBondContact O-CB 3.32Å; M778-A782 PolarHBondContact O-N 3.33Å |
| 779 | A | 81.1 | Confident | 76.7 | Confident | 59 Ų | 59 | 98 Ų | 98 | 49% | 0.488 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.5 | -39.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q775 E776 Q777 A782 A783 | Q775-A779 WeakPolarHBondContact O-CB 3.34Å; Q775-A779 PolarHBondContact O-N 2.94Å; E776-A779 PolarHBondContact O-N 3.14Å; Q777-A779 VanDerWaalsContact C-N 3.34Å; Q777-A779 PolarHBondContact O-N 3.46Å; A779-A782 PolarHBondContact O-N 2.87Å; A779-A783 WeakPolarHBondContact O-CB 3.46Å; A779-A783 PolarHBondContact O-N 2.9Å |
| 780 | A | 79.1 | Confident | 74.2 | Confident | 55 Ų | 55 | 101.3 Ų | 101.3 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.9 | -44.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E776 Q777 A782 A783 V784 | E776-A780 WeakPolarHBondContact O-CB 3.29Å; E776-A780 PolarHBondContact O-N 2.92Å; Q777-A780 PolarHBondContact O-N 3.3Å; A780-A782 PolarHBondContact O-N 2.75Å; A780-A783 PolarHBondContact O-N 2.84Å; A780-V784 WeakPolarHBondContact O-CG2 3.43Å; A780-V784 PolarHBondContact O-N 3.39Å |
| 781 | A | 76.3 | Confident | 71.9 | Confident | 60 Ų | 60 | 104.3 Ų | 104.3 | 50% | 0.496 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59.7 | -44.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q777 A783 V784 A785 | Q777-A781 WeakPolarHBondContact O-CB 3.41Å; Q777-A781 PolarHBondContact O-N 3.33Å; A781-A783 PolarHBondContact O-N 2.99Å; A781-V784 PolarHBondContact O-N 3.25Å; A781-A785 WeakPolarHBondContact O-CB 3.4Å; A781-A785 PolarHBondContact O-N 3.24Å |
| 782 | A | 75.4 | Confident | 69.4 | Low | 62 Ų | 62 | 103.3 Ų | 103.3 | 51% | 0.512 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64 | -38.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M778 A779 A780 S786 | M778-A782 WeakPolarHBondContact O-CB 3.32Å; M778-A782 PolarHBondContact O-N 3.33Å; A779-A782 PolarHBondContact O-N 2.87Å; A780-A782 PolarHBondContact O-N 2.75Å; A782-S786 WeakPolarHBondContact O-CB 3.42Å; A782-S786 PolarHBondContact O-N 3.38Å; A782-S786 PolarHBondContact O-OG 2.87Å |
| 783 | A | 69.7 | Low | 66.6 | Low | 47 Ų | 47 | 102.5 Ų | 102.5 | 39% | 0.388 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.9 | -45 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A779 A780 A781 S786 N787 | A779-A783 WeakPolarHBondContact O-CB 3.46Å; A779-A783 PolarHBondContact O-N 2.9Å; A780-A783 PolarHBondContact O-N 2.84Å; A781-A783 PolarHBondContact O-N 2.99Å; A783-S786 PolarHBondContact O-N 2.95Å; A783-S786 PolarHBondContact O-OG 3.24Å; A783-N787 PolarHBondContact O-N 3.3Å; A783-N787 PolarHBondContact O-ND2 3.07Å |
| 784 | V | 70.1 | Confident | 64.2 | Low | 91 Ų | 91 | 104.4 Ų | 104.4 | 55% | 0.552 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -59.6 | -51.7 | 174.1 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | A780 A781 S786 N787 M788 | A780-V784 WeakPolarHBondContact O-CG2 3.43Å; A780-V784 PolarHBondContact O-N 3.39Å; A781-V784 PolarHBondContact O-N 3.25Å; V784-S786 VanDerWaalsContact C-N 3.27Å; V784-S786 PolarHBondContact O-N 3.08Å; V784-N787 PolarHBondContact O-N 3.03Å; V784-N787 VanDerWaalsContact O-N 3.11Å; V784-M788 HydrophobicContact CG1-SD 4.42Å |
| 785 | A | 64.1 | Low | 61.7 | Low | 72 Ų | 72 | 103.4 Ų | 103.4 | 60% | 0.595 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -57.7 | -37.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A781 N787 | A781-A785 WeakPolarHBondContact O-CB 3.4Å; A781-A785 PolarHBondContact O-N 3.24Å; A785-N787 VanDerWaalsContact C-N 3.35Å; A785-N787 PolarHBondContact O-N 3.44Å |
| 786 | S | 57.3 | Low | 59.1 | Low | 87 Ų | 87 | 102.6 Ų | 102.6 | 61% | 0.608 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -73.5 | -20.2 | 179.2 | 72.7 | 0 | 0 | 0 | 0 | 114.9 | A782 A783 V784 | A782-S786 WeakPolarHBondContact O-CB 3.42Å; A782-S786 PolarHBondContact O-N 3.38Å; A782-S786 PolarHBondContact O-OG 2.87Å; A783-S786 PolarHBondContact O-N 2.95Å; A783-S786 PolarHBondContact O-OG 3.24Å; V784-S786 VanDerWaalsContact C-N 3.27Å; V784-S786 PolarHBondContact O-N 3.08Å |
| 787 | N | 53.7 | Low | 56.8 | Low | 137 Ų | 137 | 102.5 Ų | 102.5 | 73% | 0.733 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -89 | -14.5 | -179.2 | -81.4 | -37.8 | 0 | 0 | 0 | 113.9 | A783 V784 A785 G789 | A783-N787 PolarHBondContact O-N 3.3Å; A783-N787 PolarHBondContact O-ND2 3.07Å; V784-N787 PolarHBondContact O-N 3.03Å; V784-N787 VanDerWaalsContact O-N 3.11Å; A785-N787 VanDerWaalsContact C-N 3.35Å; A785-N787 PolarHBondContact O-N 3.44Å; N787-G789 VanDerWaalsContact C-N 3.31Å; N787-G789 PolarHBondContact O-N 3.47Å |
| 788 | M | 50.1 | Low | 54.4 | Low | 164 Ų | 164 | 100.3 Ų | 100.3 | 81% | 0.808 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -89.1 | 17.8 | -176.5 | -63.7 | -173.5 | 75.8 | 0 | 0 | 114.3 | V784 | V784-M788 HydrophobicContact CG1-SD 4.42Š|
| 789 | G | 37.7 | Very low | 52.2 | Low | 61 Ų | 61 | 100.8 Ų | 100.8 | 63% | 0.629 | 69% | 0.693 | S | S | * | * | | | trans | -118.6 | 22.2 | -159.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | N787 | N787-G789 VanDerWaalsContact C-N 3.31Å; N787-G789 PolarHBondContact O-N 3.47Å |
| 790 | I | 38.6 | Very low | 50.3 | Low | 159 Ų | 159 | 103.4 Ų | 103.4 | 82% | 0.815 | 71% | 0.709 | S | S | * | * | | | trans | -145.4 | 95.7 | 178.8 | -45.5 | 175.4 | 0 | 0 | 0 | 113.2 | | |
| 791 | D | 40.8 | Very low | 48.2 | Very low | 171 Ų | 171 | 105.4 Ų | 105.4 | 91% | 0.914 | 72% | 0.719 | S | S | * | * | | | trans | -174.5 | 153.9 | 136.7 | -107.4 | -29.1 | 0 | 0 | 0 | 112.3 | | |
| 792 | G | 37.9 | Very low | 46.7 | Very low | 81 Ų | 81 | 109.1 Ų | 109.1 | 84% | 0.835 | 74% | 0.736 | S | S | * | * | | | trans | 104 | 144.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 793 | G | 34.5 | Very low | 45.1 | Very low | 75 Ų | 75 | 111.8 Ų | 111.8 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | | | trans | 174 | 176.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 794 | L | 38.9 | Very low | 43.4 | Very low | 182 Ų | 182 | 114.7 Ų | 114.7 | 95% | 0.953 | 77% | 0.774 | S | S | * | * | | | trans | 76.4 | 99.2 | 178.1 | -58.6 | 171.9 | 0 | 0 | 0 | 118.6 | | |
| 795 | A | 38.1 | Very low | 42.3 | Very low | 105 Ų | 105 | 113.6 Ų | 113.6 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | | | trans | 175.6 | 164.5 | 130.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 796 | S | 37.1 | Very low | 41.6 | Very low | 116 Ų | 116 | 116.8 Ų | 116.8 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | | | trans | -136.7 | 143.6 | -163.8 | -45.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 797 | S | 39.8 | Very low | 41 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | | 162.5 | 142.3 | 127 | -72.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 798 | A | 37.9 | Very low | 40.8 | Very low | 90 Ų | 90 | 122.3 Ų | 122.3 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | | | trans | 36.7 | 144.6 | 144 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 799 | T | 38.8 | Very low | 41 | Very low | 125 Ų | 125 | 121.6 Ų | 121.6 | 77% | 0.767 | 79% | 0.791 | S | S | * | * | | | cis | -170.8 | 146.9 | -3.5 | 18.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 800 | S | 40 | Very low | 41.7 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | 57 | 151.9 | 155.5 | 50.7 | 0 | 0 | 0 | 0 | 120.4 | | |
| 801 | S | 36.2 | Very low | 42.2 | Very low | 96 Ų | 96 | 123.4 Ų | 123.4 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | | | cis | -170.7 | 174.8 | -15.2 | 53.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 802 | T | 44.5 | Very low | 43 | Very low | 139 Ų | 139 | 117.8 Ų | 117.8 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | | | trans | 72 | 148.5 | 173 | 69 | 0 | 0 | 0 | 0 | 116.5 | | |
| 803 | S | 40.4 | Very low | 44.2 | Very low | 118 Ų | 118 | 117.3 Ų | 117.3 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | | | cis | -147.3 | 169.8 | -6.9 | 52 | 0 | 0 | 0 | 0 | 110.3 | | |
| 804 | A | 34.1 | Very low | 45.4 | Very low | 107 Ų | 107 | 118 Ų | 118 | 88% | 0.884 | 73% | 0.733 | S | S | * | * | | | trans | -90.3 | 142.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 805 | G | 47.5 | Very low | 46.4 | Very low | 69 Ų | 69 | 114.1 Ų | 114.1 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | | | trans | -177.7 | -32.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 806 | Q | 49.3 | Very low | 47.5 | Very low | 139 Ų | 139 | 114.1 Ų | 114.1 | 65% | 0.65 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -22.1 | -164.8 | -74.3 | 176.5 | -48.1 | 0 | 0 | 117.2 | Q808 Q809 | Q806-Q808 PolarHBondContact O-N 3.5Å; Q806-Q808 VanDerWaalsContact O-N 3.08Å; Q806-Q809 PolarHBondContact O-N 3.04Å |
| 807 | Q | 45.4 | Very low | 48.4 | Very low | 168 Ų | 168 | 113.6 Ų | 113.6 | 79% | 0.785 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -63.6 | -20.4 | -171.6 | -90.6 | -172.7 | -33.7 | 0 | 0 | 114.8 | | |
| 808 | Q | 48.9 | Very low | 49.1 | Very low | 172 Ų | 172 | 113.7 Ų | 113.7 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -85.3 | -16.8 | -176.9 | -156.7 | 159.3 | -7.9 | 0 | 0 | 113.5 | Q806 | Q806-Q808 PolarHBondContact O-N 3.5Å; Q806-Q808 VanDerWaalsContact O-N 3.08Å |
| 809 | Q | 54.9 | Low | 49.9 | Very low | 149 Ų | 149 | 117.8 Ų | 117.8 | 70% | 0.696 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -84.2 | -32.9 | 174 | -74.5 | 178.4 | -38.3 | 0 | 0 | 112.7 | Q806 L811 A812 S813 | Q806-Q809 PolarHBondContact O-N 3.04Å; Q809-L811 VanDerWaalsContact C-N 3.29Å; Q809-L811 PolarHBondContact O-N 3.13Å; Q809-A812 PolarHBondContact O-N 3.37Å; Q809-A812 VanDerWaalsContact O-N 3.15Å; Q809-S813 PolarHBondContact O-N 3.16Å |
| 810 | Q | 51.3 | Low | 50.8 | Low | 129 Ų | 129 | 116.5 Ų | 116.5 | 60% | 0.603 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -69.5 | -22.2 | -179.4 | -70.4 | -175.3 | -22.2 | 0 | 0 | 113.8 | S813 V814 | Q810-S813 PolarHBondContact O-OG 3.13Å; Q810-V814 WeakPolarHBondContact O-CG2 3.33Å |
| 811 | L | 49.8 | Very low | 51.4 | Low | 129 Ų | 129 | 118.3 Ų | 118.3 | 68% | 0.675 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -79 | -24.4 | 171.9 | -75.7 | 169 | 0 | 0 | 0 | 113.1 | Q809 | Q809-L811 VanDerWaalsContact C-N 3.29Å; Q809-L811 PolarHBondContact O-N 3.13Å |
| 812 | A | 58.2 | Low | 52.4 | Low | 53 Ų | 53 | 120 Ų | 120 | 44% | 0.438 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -73.6 | -47.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q809 V814 L815 E816 | Q809-A812 PolarHBondContact O-N 3.37Å; Q809-A812 VanDerWaalsContact O-N 3.15Å; A812-V814 VanDerWaalsContact C-N 3.3Å; A812-V814 PolarHBondContact O-N 3.34Å; A812-L815 PolarHBondContact O-N 2.98Å; A812-L815 VanDerWaalsContact O-N 3.15Å; A812-E816 PolarHBondContact O-N 2.99Å |
| 813 | S | 61.7 | Low | 52.1 | Low | 70 Ų | 70 | 116.8 Ų | 116.8 | 49% | 0.49 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -64 | -31.4 | -178.3 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | Q809 Q810 E816 L817 | Q809-S813 PolarHBondContact O-N 3.16Å; Q810-S813 PolarHBondContact O-OG 3.13Å; S813-E816 PolarHBondContact O-N 3.42Å; S813-L817 WeakPolarHBondContact O-CB 3.34Å; S813-L817 PolarHBondContact O-N 3.26Å; S813-L817 VanDerWaalsContact O-N 3.08Å |
| 814 | V | 60.6 | Low | 51.9 | Low | 91 Ų | 91 | 114.4 Ų | 114.4 | 55% | 0.552 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -67.3 | -39.3 | 174.6 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | Q810 A812 L817 E818 | Q810-V814 WeakPolarHBondContact O-CG2 3.33Å; A812-V814 VanDerWaalsContact C-N 3.3Å; A812-V814 PolarHBondContact O-N 3.34Å; V814-L817 PolarHBondContact O-N 3.47Å; V814-E818 PolarHBondContact O-N 3.26Å; V814-E818 VanDerWaalsContact O-N 3.11Å |
| 815 | L | 59.5 | Low | 52.4 | Low | 99 Ų | 99 | 121.6 Ų | 121.6 | 52% | 0.518 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -72.7 | -31.6 | 176.4 | -71.1 | 168.7 | 0 | 0 | 0 | 112.6 | A812 E818 R819 | A812-L815 PolarHBondContact O-N 2.98Å; A812-L815 VanDerWaalsContact O-N 3.15Å; L815-E818 PolarHBondContact O-N 3.33Å; L815-R819 PolarHBondContact O-N 3.29Å |
| 816 | E | 62.4 | Low | 51.7 | Low | 105 Ų | 105 | 122.3 Ų | 122.3 | 49% | 0.491 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -67 | -37.3 | 172.6 | -136.9 | 71.3 | -98.9 | 0 | 0 | 111.9 | A812 S813 R819 T820 | A812-E816 PolarHBondContact O-N 2.99Å; S813-E816 PolarHBondContact O-N 3.42Å; E816-R819 PolarHBondContact O-N 2.93Å; E816-R819 IonicContact OE1-NH1 3.67Å; E816-R819 PolarHBondContact OE1-NH1 3.07Å; E816-R819 VanDerWaalsContact OE1-NH1 3.08Å; E816-T820 PolarHBondContact O-N 3.35Å; E816-T820 VanDerWaalsContact O-N 3.13Å; E816-T820 PolarHBondContact O-OG1 3.29Å |
| 817 | L | 55.6 | Low | 51.3 | Low | 105 Ų | 105 | 120.6 Ų | 120.6 | 55% | 0.55 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -68.7 | -37.2 | 175.9 | -164.2 | 67.4 | 0 | 0 | 0 | 112 | S813 V814 R819 T820 M821 | S813-L817 WeakPolarHBondContact O-CB 3.34Å; S813-L817 PolarHBondContact O-N 3.26Å; S813-L817 VanDerWaalsContact O-N 3.08Å; V814-L817 PolarHBondContact O-N 3.47Å; L817-R819 VanDerWaalsContact C-N 3.33Å; L817-R819 PolarHBondContact O-N 3.11Å; L817-T820 WeakPolarHBondContact CA-OG1 3.34Å; L817-T820 PolarHBondContact O-N 3.22Å; L817-T820 PolarHBondContact O-OG1 2.84Å; L817-T820 VanDerWaalsContact O-OG1 3.12Å; L817-M821 PolarHBondContact O-N 3.28Å; L817-M821 VanDerWaalsContact O-N 3.14Å |
| 818 | E | 54.6 | Low | 50.7 | Low | 119 Ų | 119 | 117.7 Ų | 117.7 | 56% | 0.556 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -69.7 | -28.2 | 176.8 | -163.2 | 167.9 | -138.1 | 0 | 0 | 112.6 | V814 L815 N822 | V814-E818 PolarHBondContact O-N 3.26Å; V814-E818 VanDerWaalsContact O-N 3.11Å; L815-E818 PolarHBondContact O-N 3.33Å; E818-N822 PolarHBondContact O-ND2 3.42Å |
| 819 | R | 54.9 | Low | 50.4 | Low | 176 Ų | 176 | 116.9 Ų | 116.9 | 66% | 0.664 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -69.8 | -47 | 168.1 | -75 | -171.5 | -179.1 | 119.2 | 3 | 112.7 | L815 E816 L817 M821 N822 | L815-R819 PolarHBondContact O-N 3.29Å; E816-R819 PolarHBondContact O-N 2.93Å; E816-R819 IonicContact OE1-NH1 3.67Å; E816-R819 PolarHBondContact OE1-NH1 3.07Å; E816-R819 VanDerWaalsContact OE1-NH1 3.08Å; L817-R819 VanDerWaalsContact C-N 3.33Å; L817-R819 PolarHBondContact O-N 3.11Å; R819-M821 PolarHBondContact O-N 3.48Å; R819-N822 PolarHBondContact O-N 3.01Å |
| 820 | T | 57.3 | Low | 49.5 | Very low | 99 Ų | 99 | 115.5 Ų | 115.5 | 61% | 0.607 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -69.7 | -31.6 | -172.4 | 43.1 | 0 | 0 | 0 | 0 | 113.3 | E816 L817 N822 | E816-T820 PolarHBondContact O-N 3.35Å; E816-T820 VanDerWaalsContact O-N 3.13Å; E816-T820 PolarHBondContact O-OG1 3.29Å; L817-T820 WeakPolarHBondContact CA-OG1 3.34Å; L817-T820 PolarHBondContact O-N 3.22Å; L817-T820 PolarHBondContact O-OG1 2.84Å; L817-T820 VanDerWaalsContact O-OG1 3.12Å; T820-N822 VanDerWaalsContact C-N 3.32Å; T820-N822 PolarHBondContact O-N 3.49Å |
| 821 | M | 53.1 | Low | 48.8 | Very low | 152 Ų | 152 | 118.2 Ų | 118.2 | 75% | 0.749 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -14.9 | 175.1 | -67.4 | -158.6 | -58 | 0 | 0 | 115.1 | L817 R819 | L817-M821 PolarHBondContact O-N 3.28Å; L817-M821 VanDerWaalsContact O-N 3.14Å; R819-M821 PolarHBondContact O-N 3.48Å |
| 822 | N | 55.9 | Low | 48.1 | Very low | 133 Ų | 133 | 119.1 Ų | 119.1 | 71% | 0.711 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -8.2 | -178.6 | -80.3 | -66.9 | 0 | 0 | 0 | 114.2 | E818 R819 T820 G824 | E818-N822 PolarHBondContact O-ND2 3.42Å; R819-N822 PolarHBondContact O-N 3.01Å; T820-N822 VanDerWaalsContact C-N 3.32Å; T820-N822 PolarHBondContact O-N 3.49Å; N822-G824 PolarHBondContact O-N 2.97Å |
| 823 | G | 38.2 | Very low | 47.3 | Very low | 71 Ų | 71 | 120.8 Ų | 120.8 | 73% | 0.732 | 71% | 0.712 | S | S | * | * | | | trans | -90.1 | 72.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 824 | G | 37.5 | Very low | 46.7 | Very low | 67 Ų | 67 | 121.6 Ų | 121.6 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | | | trans | -177.8 | 43.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 122 | N822 | N822-G824 PolarHBondContact O-N 2.97Š|
| 825 | R | 43.4 | Very low | 46.7 | Very low | 258 Ų | 258 | 123.4 Ų | 123.4 | 97% | 0.974 | 74% | 0.737 | S | S | * | * | | | trans | -169.8 | 119.4 | 153.1 | -109 | 156.4 | -165.6 | -119.3 | 1 | 112.6 | | |
| 826 | G | 33.3 | Very low | 47 | Very low | 85 Ų | 85 | 127.5 Ų | 127.5 | 88% | 0.876 | 75% | 0.751 | S | S | * | * | | | trans | -99 | 125.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 827 | A | 40.6 | Very low | 48 | Very low | 103 Ų | 103 | 127 Ų | 127 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | | | trans | -157.7 | 135.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 828 | A | 33.4 | Very low | 49.1 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 88% | 0.884 | 76% | 0.756 | S | S | * | * | | | trans | -91.3 | 125.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 829 | I | 41.7 | Very low | 50.1 | Low | 155 Ų | 155 | 123.3 Ų | 123.3 | 80% | 0.795 | 75% | 0.748 | S | S | * | * | | | trans | -141 | 133.1 | 164 | -59.5 | -177.2 | 0 | 0 | 0 | 107 | | |
| 830 | P | 36.7 | Very low | 51.4 | Low | 120 Ų | 120 | 120.2 Ų | 120.2 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | | | trans | -73.7 | 134.9 | -172.5 | 28.7 | -35.3 | 0 | 0 | 0 | 112.9 | | |
| 831 | Q | 37.1 | Very low | 52.3 | Low | 186 Ų | 186 | 119.8 Ų | 119.8 | 87% | 0.869 | 74% | 0.737 | S | S | * | * | | | trans | -89.3 | 120.4 | 169.5 | -72.8 | -170.1 | -6.6 | 0 | 0 | 111.1 | | |
| 832 | V | 35.3 | Very low | 53.8 | Low | 148 Ų | 148 | 116 Ų | 116 | 90% | 0.897 | 73% | 0.726 | S | S | * | * | | | trans | -109.5 | 99.1 | 159.8 | 178.5 | 0 | 0 | 0 | 0 | 107.2 | | |
| 833 | A | 40.6 | Very low | 55.3 | Low | 87 Ų | 87 | 115 Ų | 115 | 72% | 0.719 | 72% | 0.721 | S | S | * | * | | | trans | -149.3 | 101.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 834 | A | 48.6 | Very low | 57.5 | Low | 88 Ų | 88 | 117.3 Ų | 117.3 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 147.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 835 | P | 60.3 | Low | 59.9 | Low | 129 Ų | 129 | 119.1 Ų | 119.1 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -67 | 140.9 | 176.7 | 28.4 | -34.4 | 0 | 0 | 0 | 111.1 | | |
| 836 | F | 67.1 | Low | 62 | Low | 185 Ų | 185 | 112.1 Ų | 112.1 | 81% | 0.811 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 132.6 | 173.3 | -80.3 | -92.6 | 0 | 0 | 0 | 110.9 | P838 I841 | F836-P838 WeakPolarHBondContact O-CD 3.37Å; F836-I841 HydrophobicContact CB-CD1 4.48Å |
| 837 | D | 82.7 | Confident | 64.5 | Low | 94 Ų | 94 | 110.9 Ų | 110.9 | 50% | 0.503 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -67.8 | 120.1 | 175.9 | 178.7 | 2.5 | 0 | 0 | 0 | 111.1 | A839 L840 I841 | D837-A839 PolarHBondContact O-N 3.49Å; D837-A839 VanDerWaalsContact OD1-CB 3.29Å; D837-A839 WeakPolarHBondContact OD1-CB 3.4Å; D837-A839 PolarHBondContact OD1-N 3.43Å; D837-L840 HydrophobicContact CB-CB 4.4Å; D837-L840 PolarHBondContact O-N 3.47Å; D837-L840 VanDerWaalsContact O-N 3.16Å; D837-I841 PolarHBondContact O-N 3.16Å |
| 838 | P | 78.9 | Confident | 66.8 | Low | 99 Ų | 99 | 112 Ų | 112 | 64% | 0.643 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -63 | -23.1 | 177 | 26.8 | -35.4 | 0 | 0 | 0 | 113.5 | F836 L840 I841 S842 | F836-P838 WeakPolarHBondContact O-CD 3.37Å; P838-L840 VanDerWaalsContact C-N 3.34Å; P838-I841 PolarHBondContact O-N 3.42Å; P838-S842 WeakPolarHBondContact O-CB 3.46Å; P838-S842 PolarHBondContact O-N 3.43Å |
| 839 | A | 75.8 | Confident | 69.5 | Low | 48 Ų | 48 | 115.5 Ų | 115.5 | 40% | 0.397 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -66 | -37.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D837 S842 N843 | D837-A839 PolarHBondContact O-N 3.49Å; D837-A839 VanDerWaalsContact OD1-CB 3.29Å; D837-A839 WeakPolarHBondContact OD1-CB 3.4Å; D837-A839 PolarHBondContact OD1-N 3.43Å; A839-S842 WeakPolarHBondContact O-CB 3.33Å; A839-S842 PolarHBondContact O-N 3.29Å; A839-N843 WeakPolarHBondContact O-CB 3.41Å; A839-N843 VanDerWaalsContact O-CG 3.26Å; A839-N843 PolarHBondContact O-N 3.28Å; A839-N843 PolarHBondContact O-ND2 2.94Å |
| 840 | L | 81.3 | Confident | 71.8 | Confident | 111 Ų | 111 | 112 Ų | 112 | 58% | 0.581 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.3 | -42.2 | 177.1 | -156.1 | 162.8 | 0 | 0 | 0 | 110.7 | D837 P838 N843 L844 | D837-L840 HydrophobicContact CB-CB 4.4Å; D837-L840 PolarHBondContact O-N 3.47Å; D837-L840 VanDerWaalsContact O-N 3.16Å; P838-L840 VanDerWaalsContact C-N 3.34Å; L840-N843 PolarHBondContact O-N 2.67Å; L840-L844 PolarHBondContact O-N 3.17Å |
| 841 | I | 76.5 | Confident | 74.4 | Confident | 89 Ų | 89 | 110.9 Ų | 110.9 | 46% | 0.456 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.6 | -44.1 | 174.3 | -59 | 175.4 | 0 | 0 | 0 | 111 | F836 D837 P838 N843 L844 L845 | F836-I841 HydrophobicContact CB-CD1 4.48Å; D837-I841 PolarHBondContact O-N 3.16Å; P838-I841 PolarHBondContact O-N 3.42Å; I841-N843 PolarHBondContact O-N 2.8Å; I841-L844 PolarHBondContact O-N 3.48Å; I841-L845 HydrophobicContact CG2-CD1 4.09Å; I841-L845 WeakPolarHBondContact O-CG 3.34Å; I841-L845 PolarHBondContact O-N 2.92Å |
| 842 | S | 84.2 | Confident | 76.8 | Confident | 73 Ų | 73 | 107 Ų | 107 | 51% | 0.51 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -59.4 | -45.8 | 176.8 | -170.8 | 0 | 0 | 0 | 0 | 112 | P838 A839 L844 L845 H846 | P838-S842 WeakPolarHBondContact O-CB 3.46Å; P838-S842 PolarHBondContact O-N 3.43Å; A839-S842 WeakPolarHBondContact O-CB 3.33Å; A839-S842 PolarHBondContact O-N 3.29Å; S842-L844 PolarHBondContact O-N 3.27Å; S842-L845 PolarHBondContact O-N 3.49Å; S842-H846 PolarHBondContact O-N 3.38Å |
| 843 | N | 87.6 | Confident | 79.6 | Confident | 112 Ų | 112 | 104.6 Ų | 104.6 | 60% | 0.599 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64 | -39.1 | 177.5 | -71.8 | -24.9 | 0 | 0 | 0 | 112.3 | A839 L840 I841 H846 A847 | A839-N843 WeakPolarHBondContact O-CB 3.41Å; A839-N843 VanDerWaalsContact O-CG 3.26Å; A839-N843 PolarHBondContact O-N 3.28Å; A839-N843 PolarHBondContact O-ND2 2.94Å; L840-N843 PolarHBondContact O-N 2.67Å; I841-N843 PolarHBondContact O-N 2.8Å; N843-H846 PolarHBondContact O-N 3.01Å; N843-A847 PolarHBondContact O-N 2.87Å |
| 844 | L | 84.2 | Confident | 82 | Confident | 120 Ų | 120 | 104.5 Ų | 104.5 | 63% | 0.628 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.3 | -46.1 | 176.1 | -139.4 | 82.5 | 0 | 0 | 0 | 111.7 | L840 I841 S842 H846 A847 E848 | L840-L844 PolarHBondContact O-N 3.17Å; I841-L844 PolarHBondContact O-N 3.48Å; S842-L844 PolarHBondContact O-N 3.27Å; L844-H846 VanDerWaalsContact C-N 3.29Å; L844-H846 PolarHBondContact O-N 2.89Å; L844-A847 PolarHBondContact O-N 2.64Å; L844-E848 PolarHBondContact O-N 3.21Å |
| 845 | L | 87.9 | Confident | 84 | Confident | 104 Ų | 104 | 107.9 Ų | 107.9 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.8 | -29.4 | 177.3 | -69.1 | 170.2 | 0 | 0 | 0 | 112.6 | I841 S842 R849 | I841-L845 HydrophobicContact CG2-CD1 4.09Å; I841-L845 WeakPolarHBondContact O-CG 3.34Å; I841-L845 PolarHBondContact O-N 2.92Å; S842-L845 PolarHBondContact O-N 3.49Å; L845-R849 WeakPolarHBondContact O-CB 3.49Å; L845-R849 PolarHBondContact O-N 3.02Å; L845-R849 VanDerWaalsContact O-N 3.16Å |
| 846 | H | 88.1 | Confident | 85.4 | Confident | 112 Ų | 112 | 106.4 Ų | 106.4 | 52% | 0.519 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.2 | -42.6 | 173.7 | -161.5 | 89.6 | 0 | 0 | 0 | 111.6 | S842 N843 L844 R849 I850 | S842-H846 PolarHBondContact O-N 3.38Å; N843-H846 PolarHBondContact O-N 3.01Å; L844-H846 VanDerWaalsContact C-N 3.29Å; L844-H846 PolarHBondContact O-N 2.89Å; H846-R849 WeakPolarHBondContact O-CB 3.46Å; H846-R849 PolarHBondContact O-N 3.46Å; H846-I850 WeakPolarHBondContact O-CG1 3.43Å; H846-I850 PolarHBondContact O-N 2.86Å; H846-I850 VanDerWaalsContact O-N 3.13Å |
| 847 | A | 86.6 | Confident | 86.5 | Confident | 58 Ų | 58 | 104.9 Ų | 104.9 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N843 L844 R849 I850 D851 | N843-A847 PolarHBondContact O-N 2.87Å; L844-A847 PolarHBondContact O-N 2.64Å; A847-R849 VanDerWaalsContact C-N 3.29Å; A847-R849 PolarHBondContact O-N 2.96Å; A847-I850 PolarHBondContact O-N 3.2Å; A847-I850 VanDerWaalsContact O-N 3.13Å; A847-D851 PolarHBondContact O-N 3.19Å |
| 848 | E | 88.2 | Confident | 86.8 | Confident | 126 Ų | 126 | 106 Ų | 106 | 59% | 0.589 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.7 | -36.2 | 176.6 | -171.4 | 175.7 | -160.4 | 0 | 0 | 112 | L844 M852 | L844-E848 PolarHBondContact O-N 3.21Å; E848-M852 WeakPolarHBondContact O-CB 3.41Å; E848-M852 WeakPolarHBondContact O-CG 3.41Å; E848-M852 PolarHBondContact O-N 3.24Å |
| 849 | R | 90.4 | Very high | 87.3 | Confident | 182 Ų | 182 | 106.1 Ų | 106.1 | 69% | 0.687 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.1 | -42.7 | 172.9 | -176.9 | -178.2 | -66 | -161.3 | 0.6 | 112.3 | L845 H846 A847 M852 E853 | L845-R849 WeakPolarHBondContact O-CB 3.49Å; L845-R849 PolarHBondContact O-N 3.02Å; L845-R849 VanDerWaalsContact O-N 3.16Å; H846-R849 WeakPolarHBondContact O-CB 3.46Å; H846-R849 PolarHBondContact O-N 3.46Å; A847-R849 VanDerWaalsContact C-N 3.29Å; A847-R849 PolarHBondContact O-N 2.96Å; R849-M852 PolarHBondContact O-N 2.89Å; R849-E853 PolarHBondContact O-N 3.48Å |
| 850 | I | 90.8 | Very high | 87.8 | Confident | 82 Ų | 82 | 106.9 Ų | 106.9 | 42% | 0.421 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67 | -43.6 | -179.5 | -69.2 | 169.4 | 0 | 0 | 0 | 111.1 | H846 A847 M852 E853 N854 | H846-I850 WeakPolarHBondContact O-CG1 3.43Å; H846-I850 PolarHBondContact O-N 2.86Å; H846-I850 VanDerWaalsContact O-N 3.13Å; A847-I850 PolarHBondContact O-N 3.2Å; A847-I850 VanDerWaalsContact O-N 3.13Å; I850-M852 PolarHBondContact O-N 3.39Å; I850-E853 PolarHBondContact O-N 2.66Å; I850-N854 PolarHBondContact O-N 2.86Å; I850-N854 PolarHBondContact O-ND2 3.35Å |
| 851 | D | 91.4 | Very high | 88.1 | Confident | 95 Ų | 95 | 106.1 Ų | 106.1 | 51% | 0.508 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 175.1 | -175.9 | 65.8 | 0 | 0 | 0 | 111.5 | A847 E853 N854 R855 | A847-D851 PolarHBondContact O-N 3.19Å; D851-E853 VanDerWaalsContact C-N 3.3Å; D851-E853 PolarHBondContact O-N 2.89Å; D851-N854 PolarHBondContact O-N 3.33Å; D851-R855 VanDerWaalsContact O-CB 3.29Å; D851-R855 WeakPolarHBondContact O-CB 3.36Å; D851-R855 PolarHBondContact O-N 2.92Å |
| 852 | M | 87.3 | Confident | 88.7 | Confident | 104 Ų | 104 | 109.8 Ų | 109.8 | 51% | 0.512 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.2 | -36.5 | 176 | -79.3 | -72.7 | -76.6 | 0 | 0 | 112.8 | E848 R849 I850 N856 | E848-M852 WeakPolarHBondContact O-CB 3.41Å; E848-M852 WeakPolarHBondContact O-CG 3.41Å; E848-M852 PolarHBondContact O-N 3.24Å; R849-M852 PolarHBondContact O-N 2.89Å; I850-M852 PolarHBondContact O-N 3.39Å; M852-N856 WeakPolarHBondContact O-CB 3.2Å; M852-N856 PolarHBondContact O-N 3.34Å; M852-N856 VanDerWaalsContact O-N 3.14Å; M852-N856 PolarHBondContact O-ND2 3.38Å |
| 853 | E | 92.5 | Very high | 88.8 | Confident | 98 Ų | 98 | 107.7 Ų | 107.7 | 46% | 0.458 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.6 | -45.8 | 174.6 | -161 | -176.1 | 141.5 | 0 | 0 | 112 | R849 I850 D851 R855 N856 R857 | R849-E853 PolarHBondContact O-N 3.48Å; I850-E853 PolarHBondContact O-N 2.66Å; D851-E853 VanDerWaalsContact C-N 3.3Å; D851-E853 PolarHBondContact O-N 2.89Å; E853-R855 VanDerWaalsContact C-N 3.32Å; E853-R855 PolarHBondContact O-N 3.09Å; E853-N856 PolarHBondContact O-N 2.96Å; E853-N856 VanDerWaalsContact O-N 3.13Å; E853-R857 WeakPolarHBondContact O-CG 3.47Å; E853-R857 PolarHBondContact O-N 2.94Å; E853-R857 IonicContact OE1-CZ 3.1Å; E853-R857 IonicContact OE1-NE 2.62Å; E853-R857 PolarHBondContact OE1-NE 3.28Å; E853-R857 IonicContact OE1-NH2 2.67Å; E853-R857 PolarHBondContact OE1-NH2 3.34Å |
| 854 | N | 91.5 | Very high | 88.5 | Confident | 85 Ų | 85 | 105.4 Ų | 105.4 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59 | -42.5 | 177.2 | -74.6 | -27.2 | 0 | 0 | 0 | 112 | I850 D851 N856 R857 L858 | I850-N854 PolarHBondContact O-N 2.86Å; I850-N854 PolarHBondContact O-ND2 3.35Å; D851-N854 PolarHBondContact O-N 3.33Å; N854-N856 PolarHBondContact O-N 3.29Å; N854-R857 PolarHBondContact O-N 3.39Å; N854-L858 WeakPolarHBondContact O-CB 3.37Å; N854-L858 PolarHBondContact O-N 2.93Å |
| 855 | R | 90.9 | Very high | 88.3 | Confident | 160 Ų | 160 | 104.9 Ų | 104.9 | 60% | 0.604 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.7 | -39.9 | 175.3 | -169.2 | 174.8 | -172.3 | 134.4 | 2.4 | 112.3 | D851 E853 L858 L859 | D851-R855 VanDerWaalsContact O-CB 3.29Å; D851-R855 WeakPolarHBondContact O-CB 3.36Å; D851-R855 PolarHBondContact O-N 2.92Å; E853-R855 VanDerWaalsContact C-N 3.32Å; E853-R855 PolarHBondContact O-N 3.09Å; R855-L858 PolarHBondContact O-N 3.08Å; R855-L859 WeakPolarHBondContact O-CG 3.4Å; R855-L859 PolarHBondContact O-N 3.38Å |
| 856 | N | 90.1 | Very high | 87.9 | Confident | 98 Ų | 98 | 105.2 Ų | 105.2 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.8 | -39.5 | 174.4 | -82.3 | -64 | 0 | 0 | 0 | 112.4 | M852 E853 N854 L859 A860 | M852-N856 WeakPolarHBondContact O-CB 3.2Å; M852-N856 PolarHBondContact O-N 3.34Å; M852-N856 VanDerWaalsContact O-N 3.14Å; M852-N856 PolarHBondContact O-ND2 3.38Å; E853-N856 PolarHBondContact O-N 2.96Å; E853-N856 VanDerWaalsContact O-N 3.13Å; N854-N856 PolarHBondContact O-N 3.29Å; N856-L859 PolarHBondContact O-N 3.11Å; N856-A860 WeakPolarHBondContact O-CB 3.37Å; N856-A860 PolarHBondContact O-N 3.46Å |
| 857 | R | 89.5 | Confident | 87.3 | Confident | 153 Ų | 153 | 105 Ų | 105 | 58% | 0.577 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61 | -44.2 | 173.7 | -69.5 | 173.5 | 179.4 | -145.3 | 4.9 | 111.3 | E853 N854 A860 T861 | E853-R857 WeakPolarHBondContact O-CG 3.47Å; E853-R857 PolarHBondContact O-N 2.94Å; E853-R857 IonicContact OE1-CZ 3.1Å; E853-R857 IonicContact OE1-NE 2.62Å; E853-R857 PolarHBondContact OE1-NE 3.28Å; E853-R857 IonicContact OE1-NH2 2.67Å; E853-R857 PolarHBondContact OE1-NH2 3.34Å; N854-R857 PolarHBondContact O-N 3.39Å; R857-A860 PolarHBondContact O-N 3.14Å; R857-T861 PolarHBondContact O-N 3.12Å; R857-T861 PolarHBondContact O-OG1 3.34Å |
| 858 | L | 89.5 | Confident | 86.6 | Confident | 118 Ų | 118 | 105.1 Ų | 105.1 | 62% | 0.618 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69 | -33.3 | 178.8 | -170.6 | 146.2 | 0 | 0 | 0 | 113.2 | N854 R855 T861 R862 | N854-L858 WeakPolarHBondContact O-CB 3.37Å; N854-L858 PolarHBondContact O-N 2.93Å; R855-L858 PolarHBondContact O-N 3.08Å; L858-T861 PolarHBondContact O-OG1 3.25Å; L858-T861 VanDerWaalsContact O-OG1 3.09Å; L858-R862 WeakPolarHBondContact O-CB 3.39Å; L858-R862 PolarHBondContact O-N 2.83Å; L858-R862 VanDerWaalsContact O-N 3.1Å |
| 859 | L | 89 | Confident | 85.8 | Confident | 100 Ų | 100 | 105.1 Ų | 105.1 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.3 | -36.4 | 170.8 | -72.9 | 170.4 | 0 | 0 | 0 | 112.1 | R855 N856 G863 | R855-L859 WeakPolarHBondContact O-CG 3.4Å; R855-L859 PolarHBondContact O-N 3.38Å; N856-L859 PolarHBondContact O-N 3.11Å; L859-G863 PolarHBondContact O-N 3.47Å |
| 860 | A | 86.7 | Confident | 84.7 | Confident | 65 Ų | 65 | 101.5 Ų | 101.5 | 54% | 0.537 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.4 | -42.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N856 R857 G863 A864 | N856-A860 WeakPolarHBondContact O-CB 3.37Å; N856-A860 PolarHBondContact O-N 3.46Å; R857-A860 PolarHBondContact O-N 3.14Å; A860-G863 PolarHBondContact O-N 2.98Å; A860-A864 PolarHBondContact O-N 3.46Å |
| 861 | T | 87.9 | Confident | 83.2 | Confident | 94 Ų | 94 | 104.7 Ų | 104.7 | 58% | 0.577 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67 | -38.3 | 175.1 | 54.6 | 0 | 0 | 0 | 0 | 112.1 | R857 L858 G863 A864 L865 | R857-T861 PolarHBondContact O-N 3.12Å; R857-T861 PolarHBondContact O-OG1 3.34Å; L858-T861 PolarHBondContact O-OG1 3.25Å; L858-T861 VanDerWaalsContact O-OG1 3.09Å; T861-G863 VanDerWaalsContact C-N 3.34Å; T861-G863 PolarHBondContact O-N 3.13Å; T861-A864 PolarHBondContact O-N 3.03Å; T861-L865 WeakPolarHBondContact O-CB 3.32Å; T861-L865 PolarHBondContact O-N 3.33Å |
| 862 | R | 88 | Confident | 81.1 | Confident | 166 Ų | 166 | 102.7 Ų | 102.7 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.8 | -40.3 | 172.2 | -176.3 | 173.2 | 178.4 | 154 | 2.3 | 112.2 | L858 L865 Q866 | L858-R862 WeakPolarHBondContact O-CB 3.39Å; L858-R862 PolarHBondContact O-N 2.83Å; L858-R862 VanDerWaalsContact O-N 3.1Å; R862-L865 PolarHBondContact O-N 3.48Å; R862-Q866 WeakPolarHBondContact O-CB 3.4Å; R862-Q866 PolarHBondContact O-N 3.41Å |
| 863 | G | 85.9 | Confident | 78.6 | Confident | 30 Ų | 30 | 101 Ų | 101 | 31% | 0.309 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.1 | -51 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L859 A860 T861 L865 Q866 D867 | L859-G863 PolarHBondContact O-N 3.47Å; A860-G863 PolarHBondContact O-N 2.98Å; T861-G863 VanDerWaalsContact C-N 3.34Å; T861-G863 PolarHBondContact O-N 3.13Å; G863-L865 VanDerWaalsContact C-N 3.32Å; G863-L865 PolarHBondContact O-N 3.42Å; G863-Q866 PolarHBondContact O-N 2.88Å; G863-Q866 VanDerWaalsContact O-N 3.08Å; G863-D867 PolarHBondContact O-N 2.91Å |
| 864 | A | 83 | Confident | 76 | Confident | 63 Ų | 63 | 100.7 Ų | 100.7 | 52% | 0.521 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.7 | -38.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A860 T861 Q866 A868 | A860-A864 PolarHBondContact O-N 3.46Å; T861-A864 PolarHBondContact O-N 3.03Å; A864-Q866 VanDerWaalsContact C-N 3.35Å; A864-A868 WeakPolarHBondContact O-CB 3.47Å; A864-A868 PolarHBondContact O-N 3.07Å |
| 865 | L | 79.3 | Confident | 73.8 | Confident | 110 Ų | 110 | 102.3 Ų | 102.3 | 58% | 0.576 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.2 | -40 | 173.9 | -166.4 | 80.8 | 0 | 0 | 0 | 111.6 | T861 R862 G863 A868 M869 | T861-L865 WeakPolarHBondContact O-CB 3.32Å; T861-L865 PolarHBondContact O-N 3.33Å; R862-L865 PolarHBondContact O-N 3.48Å; G863-L865 VanDerWaalsContact C-N 3.32Å; G863-L865 PolarHBondContact O-N 3.42Å; L865-A868 PolarHBondContact O-N 2.75Å; L865-M869 HydrophobicContact CD2-CE 4.19Å; L865-M869 HydrophobicContact CG-CE 4.13Å; L865-M869 WeakPolarHBondContact O-CG 3.41Å; L865-M869 PolarHBondContact O-N 3.25Å |
| 866 | Q | 79.4 | Confident | 71.3 | Confident | 110 Ų | 110 | 103 Ų | 103 | 51% | 0.514 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -73.3 | -37.4 | -179.2 | -168.7 | 164.6 | -2.5 | 0 | 0 | 112.4 | R862 G863 A864 M869 T870 | R862-Q866 WeakPolarHBondContact O-CB 3.4Å; R862-Q866 PolarHBondContact O-N 3.41Å; G863-Q866 PolarHBondContact O-N 2.88Å; G863-Q866 VanDerWaalsContact O-N 3.08Å; A864-Q866 VanDerWaalsContact C-N 3.35Å; Q866-M869 PolarHBondContact O-N 3.22Å; Q866-T870 WeakPolarHBondContact O-CB 3.46Å; Q866-T870 PolarHBondContact O-N 3.25Å; Q866-T870 PolarHBondContact O-OG1 3Å |
| 867 | D | 76.4 | Confident | 68.9 | Low | 107 Ų | 107 | 103.4 Ų | 103.4 | 57% | 0.572 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.2 | -43.8 | 170 | -75.7 | -24 | 0 | 0 | 0 | 110.5 | G863 M869 T870 I871 | G863-D867 PolarHBondContact O-N 2.91Å; D867-M869 PolarHBondContact O-N 3.32Å; D867-T870 PolarHBondContact O-N 3.42Å; D867-T870 VanDerWaalsContact O-N 3.14Å; D867-I871 WeakPolarHBondContact O-CG1 3.31Å; D867-I871 PolarHBondContact O-N 3.27Å |
| 868 | A | 70.5 | Confident | 66.3 | Low | 62 Ų | 62 | 106.3 Ų | 106.3 | 51% | 0.512 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -60.9 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A864 L865 T870 I871 G872 | A864-A868 WeakPolarHBondContact O-CB 3.47Å; A864-A868 PolarHBondContact O-N 3.07Å; L865-A868 PolarHBondContact O-N 2.75Å; A868-T870 VanDerWaalsContact C-N 3.32Å; A868-T870 PolarHBondContact O-N 3.16Å; A868-I871 PolarHBondContact O-N 3.39Å; A868-G872 PolarHBondContact O-N 3.45Å; A868-G872 VanDerWaalsContact O-N 3.07Å |
| 869 | M | 70.9 | Confident | 63.9 | Low | 126 Ų | 126 | 112.4 Ų | 112.4 | 62% | 0.621 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.4 | -31.9 | 174.3 | -72.2 | -175.2 | -65.4 | 0 | 0 | 112.8 | L865 Q866 D867 | L865-M869 HydrophobicContact CD2-CE 4.19Å; L865-M869 HydrophobicContact CG-CE 4.13Å; L865-M869 WeakPolarHBondContact O-CG 3.41Å; L865-M869 PolarHBondContact O-N 3.25Å; Q866-M869 PolarHBondContact O-N 3.22Å; D867-M869 PolarHBondContact O-N 3.32Å |
| 870 | T | 67.4 | Low | 61.4 | Low | 105 Ų | 105 | 116.1 Ų | 116.1 | 64% | 0.644 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -76.5 | -32.2 | 179.1 | -54.1 | 0 | 0 | 0 | 0 | 111.8 | Q866 D867 A868 | Q866-T870 WeakPolarHBondContact O-CB 3.46Å; Q866-T870 PolarHBondContact O-N 3.25Å; Q866-T870 PolarHBondContact O-OG1 3Å; D867-T870 PolarHBondContact O-N 3.42Å; D867-T870 VanDerWaalsContact O-N 3.14Å; A868-T870 VanDerWaalsContact C-N 3.32Å; A868-T870 PolarHBondContact O-N 3.16Å |
| 871 | I | 60.8 | Low | 59 | Low | 149 Ų | 149 | 117.4 Ų | 117.4 | 76% | 0.764 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -78.1 | -27 | 176.4 | -67.2 | 166.4 | 0 | 0 | 0 | 111.4 | D867 A868 G873 | D867-I871 WeakPolarHBondContact O-CG1 3.31Å; D867-I871 PolarHBondContact O-N 3.27Å; A868-I871 PolarHBondContact O-N 3.39Å; I871-G873 PolarHBondContact O-N 2.95Å |
| 872 | G | 46.9 | Very low | 56.6 | Low | 53 Ų | 53 | 121.1 Ų | 121.1 | 55% | 0.546 | 69% | 0.686 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.7 | 9.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | A868 A874 | A868-G872 PolarHBondContact O-N 3.45Å; A868-G872 VanDerWaalsContact O-N 3.07Å; G872-A874 VanDerWaalsContact C-N 3.28Å; G872-A874 PolarHBondContact O-N 3.43Å |
| 873 | G | 34.7 | Very low | 54.6 | Low | 70 Ų | 70 | 122 Ų | 122 | 72% | 0.722 | 70% | 0.702 | S | S | * | * | | | trans | -75.5 | 53.6 | -170 | 0 | 0 | 0 | 0 | 0 | 116.5 | I871 | I871-G873 PolarHBondContact O-N 2.95Š|
| 874 | A | 38.1 | Very low | 52.4 | Low | 90 Ų | 90 | 123.5 Ų | 123.5 | 74% | 0.744 | 72% | 0.718 | S | S | * | * | | | trans | -156.7 | 57.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | G872 | G872-A874 VanDerWaalsContact C-N 3.28Å; G872-A874 PolarHBondContact O-N 3.43Å |
| 875 | T | 45.1 | Very low | 50.3 | Low | 120 Ų | 120 | 124.7 Ų | 124.7 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | | | trans | -157.3 | 90 | 164.7 | 15.9 | 0 | 0 | 0 | 0 | 113.4 | T877 | T875-T877 PolarHBondContact O-N 3.5Å; T875-T877 VanDerWaalsContact O-N 3.09Å |
| 876 | D | 38 | Very low | 48.5 | Very low | 175 Ų | 175 | 123.3 Ų | 123.3 | 94% | 0.936 | 75% | 0.748 | S | S | * | * | | | trans | -83.4 | 54.5 | 171.2 | -108.3 | -38.7 | 0 | 0 | 0 | 112.3 | | |
| 877 | T | 39.4 | Very low | 46.5 | Very low | 106 Ų | 106 | 121.6 Ų | 121.6 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | | | trans | -157.6 | 84.9 | 176.6 | 37.3 | 0 | 0 | 0 | 0 | 112.2 | T875 | T875-T877 PolarHBondContact O-N 3.5Å; T875-T877 VanDerWaalsContact O-N 3.09Å |
| 878 | F | 36.4 | Very low | 45 | Very low | 214 Ų | 214 | 123.7 Ų | 123.7 | 94% | 0.939 | 78% | 0.776 | S | S | * | * | | | trans | -174.9 | 60.8 | 150.2 | -102.6 | -61.7 | 0 | 0 | 0 | 112.9 | | |
| 879 | R | 37.9 | Very low | 43.7 | Very low | 246 Ų | 246 | 127.1 Ų | 127.1 | 93% | 0.928 | 79% | 0.79 | S | S | * | * | | | trans | -130 | 64.5 | 170.6 | -90.7 | -168.9 | 168.1 | -165.2 | -1.9 | 112.3 | | |
| 880 | L | 35.8 | Very low | 42.5 | Very low | 178 Ų | 178 | 126.1 Ų | 126.1 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -168.1 | 92.2 | 157.4 | -135.4 | 80 | 0 | 0 | 0 | 111.7 | | |
| 881 | A | 38 | Very low | 41.4 | Very low | 92 Ų | 92 | 127.6 Ų | 127.6 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | | | trans | -180 | 164.4 | 159 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 882 | M | 37.6 | Very low | 40.7 | Very low | 171 Ų | 171 | 126 Ų | 126 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | | | trans | 62.6 | 74.1 | 164.8 | -50.5 | -53.2 | -75.4 | 0 | 0 | 117.4 | | |
| 883 | L | 45 | Very low | 40.5 | Very low | 185 Ų | 185 | 130.6 Ų | 130.6 | 97% | 0.969 | 82% | 0.819 | S | S | * | * | | | trans | -111 | 130 | 150.7 | -149.1 | 84.5 | 0 | 0 | 0 | 108.3 | | |
| 884 | G | 40 | Very low | 40.6 | Very low | 62 Ų | 62 | 130.8 Ų | 130.8 | 64% | 0.639 | 82% | 0.822 | S | S | * | * | | | trans | 80.1 | 138.5 | -165.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 885 | G | 39.6 | Very low | 40.6 | Very low | 87 Ų | 87 | 132 Ų | 132 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | | | cis | 116.4 | 123.3 | 5.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 886 | G | 40.3 | Very low | 40.4 | Very low | 82 Ų | 82 | 132.4 Ų | 132.4 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | | | cis | 175 | 164.3 | -8.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 887 | G | 37.9 | Very low | 40.2 | Very low | 73 Ų | 73 | 131.9 Ų | 131.9 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | | | trans | 104.2 | 151.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 888 | V | 44.5 | Very low | 40.6 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 92% | 0.915 | 81% | 0.809 | S | S | * | * | | | trans | 75.1 | 153.8 | 170 | -162.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 889 | V | 42.8 | Very low | 40.7 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | | | trans | -151.1 | 157.7 | -138.9 | 144.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 890 | P | 47.2 | Very low | 40.7 | Very low | 106 Ų | 106 | 123 Ų | 123 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | | | | -106.4 | -171.9 | -123.6 | 38.8 | -34.4 | 0 | 0 | 0 | 116.1 | | |
| 891 | T | 42.8 | Very low | 40.9 | Very low | 136 Ų | 136 | 125 Ų | 125 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | | | | -179.4 | 166.4 | 96.8 | 30.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 892 | P | 46.9 | Very low | 41.1 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | | | trans | -128.7 | 173.6 | -161.5 | 44.1 | -30.9 | 0 | 0 | 0 | 117.6 | | |
| 893 | T | 41.8 | Very low | 41 | Very low | 149 Ų | 149 | 127.1 Ų | 127.1 | 91% | 0.914 | 79% | 0.791 | S | S | * | * | | | trans | -162.7 | 123.4 | 159.4 | 11.4 | 0 | 0 | 0 | 0 | 116.4 | | |
| 894 | G | 38.2 | Very low | 40.6 | Very low | 75 Ų | 75 | 121.2 Ų | 121.2 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | trans | 62.8 | 172.1 | 145.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 895 | L | 38 | Very low | 40.4 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 60% | 0.597 | 79% | 0.786 | S | S | * | * | | | cis | -173.4 | 166.6 | -30.5 | -136.7 | 156.7 | 0 | 0 | 0 | 110.3 | S671 | S671-L895 VanDerWaalsContact OG-CD2 3.31Å; S671-L895 WeakPolarHBondContact OG-CD2 3.44Å |
| 896 | T | 40.5 | Very low | 40.1 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | | | trans | 99.9 | 148.1 | 162.7 | 68.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 897 | E | 33.9 | Very low | 39.8 | Very low | 164 Ų | 164 | 127.7 Ų | 127.7 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | | | trans | -120.9 | -133.1 | -163.6 | -69.4 | -169.4 | 132 | 0 | 0 | 114.5 | | |
| 898 | P | 47.6 | Very low | 39.7 | Very low | 101 Ų | 101 | 131.8 Ų | 131.8 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | | | | -130.2 | -175.7 | -106.1 | 41.1 | -22.2 | 0 | 0 | 0 | 115.3 | | |
| 899 | F | 38.6 | Very low | 39.3 | Very low | 211 Ų | 211 | 130.2 Ų | 130.2 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | | | trans | -163 | 119.4 | 154.1 | -107.3 | -65.3 | 0 | 0 | 0 | 117.1 | | |
| 900 | G | 36.9 | Very low | 38.9 | Very low | 69 Ų | 69 | 130.2 Ų | 130.2 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | | | trans | 74 | 168.5 | 150.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 901 | R | 40.5 | Very low | 38.4 | Very low | 220 Ų | 220 | 132.8 Ų | 132.8 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | | | cis | -171.5 | 147.7 | -15 | -120.6 | -177.7 | -168.2 | -139.8 | 3.9 | 111.7 | | |
| 902 | T | 43.1 | Very low | 38.2 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | | | trans | 66.1 | 154.9 | 154.1 | 60.4 | 0 | 0 | 0 | 0 | 119.1 | | |
| 903 | F | 35.8 | Very low | 38 | Very low | 189 Ų | 189 | 134 Ų | 134 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | | | cis | -159.8 | 166.1 | -2.6 | -144.7 | -112.8 | 0 | 0 | 0 | 113.5 | | |
| 904 | G | 35.9 | Very low | 37.9 | Very low | 61 Ų | 61 | 135.4 Ų | 135.4 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | | | trans | 81 | 130.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 905 | Q | 36.1 | Very low | 37.9 | Very low | 187 Ų | 187 | 136.6 Ų | 136.6 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | | | cis | 78 | 140.8 | 30 | -66.7 | -165.5 | -37.9 | 0 | 0 | 116.7 | | |
| 906 | A | 33.3 | Very low | 38 | Very low | 87 Ų | 87 | 135.1 Ų | 135.1 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | | | cis | -172.6 | 169.7 | -16.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 907 | A | 34.1 | Very low | 37.9 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | | | trans | 67.2 | 142.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 908 | L | 35.1 | Very low | 38.2 | Very low | 158 Ų | 158 | 132.9 Ų | 132.9 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | | | cis | 87.1 | 116.5 | 28.6 | -80.1 | 168.1 | 0 | 0 | 0 | 116.6 | | |
| 909 | T | 35.3 | Very low | 37.7 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | | | | 171.5 | 134.7 | 107.5 | 33 | 0 | 0 | 0 | 0 | 117.1 | | |
| 910 | N | 34.9 | Very low | 37.6 | Very low | 135 Ų | 135 | 125.6 Ų | 125.6 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | trans | 69.8 | 160.4 | 131.1 | -59.6 | -10.2 | 0 | 0 | 0 | 126.7 | | |
| 911 | H | 37.5 | Very low | 37.6 | Very low | 160 Ų | 160 | 126.3 Ų | 126.3 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | trans | 76.4 | 151.8 | 167.9 | -79.8 | -82.6 | 0 | 0 | 0 | 119.2 | | |
| 912 | L | 38.9 | Very low | 37.5 | Very low | 151 Ų | 151 | 120.5 Ų | 120.5 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | cis | -115.9 | -163.9 | 6.2 | -152.7 | 103.3 | 0 | 0 | 0 | 114 | | |
| 913 | L | 41.3 | Very low | 37.4 | Very low | 124 Ų | 124 | 120.1 Ų | 120.1 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | | | trans | -160.7 | 135.8 | -157 | 178.7 | 157.1 | 0 | 0 | 0 | 113.7 | S915 | L913-S915 VanDerWaalsContact CD2-OG 3.29Å; L913-S915 WeakPolarHBondContact CD2-OG 3.42Å |
| 914 | Q | 40.9 | Very low | 37.5 | Very low | 180 Ų | 180 | 115.2 Ų | 115.2 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | | | trans | -167.1 | 128.1 | 162.6 | -100.2 | 154.3 | 49.4 | 0 | 0 | 108.2 | | |
| 915 | S | 38.8 | Very low | 37.8 | Very low | 99 Ų | 99 | 116.2 Ų | 116.2 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | | | cis | 86.3 | 138.8 | 23.4 | -48.4 | 0 | 0 | 0 | 0 | 114 | L913 | L913-S915 VanDerWaalsContact CD2-OG 3.29Å; L913-S915 WeakPolarHBondContact CD2-OG 3.42Å |
| 916 | A | 38.3 | Very low | 38.1 | Very low | 83 Ų | 83 | 112.2 Ų | 112.2 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | | | cis | -151.3 | 155.2 | 6.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 917 | S | 38.4 | Very low | 38.8 | Very low | 114 Ų | 114 | 114 Ų | 114 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | | 54.8 | 155.2 | 97.7 | 82.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 918 | V | 42 | Very low | 39.2 | Very low | 133 Ų | 133 | 117.8 Ų | 117.8 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | | | cis | -143.4 | 154.2 | 18.2 | -177.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 919 | G | 36.7 | Very low | 39.6 | Very low | 76 Ų | 76 | 118.1 Ų | 118.1 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | | | | 80 | 144.3 | 56.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 920 | G | 36.5 | Very low | 39.7 | Very low | 83 Ų | 83 | 116.1 Ų | 116.1 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | cis | 167 | 145.4 | -10 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 921 | G | 35.6 | Very low | 39.9 | Very low | 83 Ų | 83 | 118.1 Ų | 118.1 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | | | trans | 82.4 | 165.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 922 | A | 39.9 | Very low | 40.1 | Very low | 98 Ų | 98 | 116 Ų | 116 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | | | cis | -165.6 | 159.6 | -15.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 923 | A | 40.7 | Very low | 40.2 | Very low | 110 Ų | 110 | 115.3 Ų | 115.3 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | | | trans | 69 | 130.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 924 | G | 38.3 | Very low | 40.2 | Very low | 86 Ų | 86 | 114.4 Ų | 114.4 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | | | trans | 124.9 | 119 | 138.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 925 | G | 40.9 | Very low | 39.9 | Very low | 81 Ų | 81 | 113.4 Ų | 113.4 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | | | trans | 107.1 | 81.8 | 143.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 926 | A | 43.2 | Very low | 39.9 | Very low | 104 Ų | 104 | 115.3 Ų | 115.3 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | | | trans | 27.9 | 148.5 | 146.8 | 0 | 0 | 0 | 0 | 0 | 124.1 | | |
| 927 | P | 47 | Very low | 39.9 | Very low | 125 Ų | 125 | 116.2 Ų | 116.2 | 81% | 0.812 | 84% | 0.837 | S | S | * | * | | | trans | -104.7 | 156.3 | -171.1 | 40.2 | -34.3 | 0 | 0 | 0 | 115.9 | | |
| 928 | M | 42.5 | Very low | 39.8 | Very low | 173 Ų | 173 | 114.4 Ų | 114.4 | 85% | 0.852 | 84% | 0.836 | S | S | * | * | | | trans | -152.3 | 155.7 | 156.5 | -116.2 | -67.4 | 161.4 | 0 | 0 | 113.3 | | |
| 929 | L | 43.7 | Very low | 39.8 | Very low | 164 Ų | 164 | 112.8 Ų | 112.8 | 86% | 0.859 | 84% | 0.837 | S | S | * | * | | | trans | -57 | 143.9 | -166.4 | -60 | 162.2 | 0 | 0 | 0 | 116.1 | | |
| 930 | G | 37.7 | Very low | 40.5 | Very low | 77 Ų | 77 | 114 Ų | 114 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | | | trans | -174.8 | 100.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 931 | L | 39.7 | Very low | 41.3 | Very low | 177 Ų | 177 | 120 Ų | 120 | 93% | 0.927 | 83% | 0.834 | S | S | * | * | | | trans | -89.7 | 110.5 | -177.8 | -72.3 | 166.9 | 0 | 0 | 0 | 112.2 | | |
| 932 | S | 40.9 | Very low | 41.9 | Very low | 115 Ų | 115 | 125.2 Ų | 125.2 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | | | trans | -173.2 | 115.6 | 157.1 | -84.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 933 | P | 42 | Very low | 42.5 | Very low | 137 Ų | 137 | 125.8 Ų | 125.8 | 89% | 0.89 | 83% | 0.829 | S | S | * | * | | | trans | -96.8 | 117.5 | 168.1 | 33.4 | -27.1 | 0 | 0 | 0 | 111.3 | | |
| 934 | S | 39.6 | Very low | 43.4 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | | | trans | -138.8 | 106.8 | 173.1 | -167.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 935 | L | 35.9 | Very low | 44.8 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | | | trans | 66.7 | 159.7 | 155.3 | -60.1 | 171.3 | 0 | 0 | 0 | 120.8 | | |
| 936 | V | 38.5 | Very low | 46.7 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | | | trans | 86.6 | 140.1 | 161.4 | -165.7 | 0 | 0 | 0 | 0 | 118.5 | | |
| 937 | A | 38.3 | Very low | 48.5 | Very low | 102 Ų | 102 | 131 Ų | 131 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | | | trans | 68.1 | 118.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 938 | G | 37 | Very low | 50.4 | Low | 75 Ų | 75 | 126.8 Ų | 126.8 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | trans | 133.6 | 55.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | P940 | G938-P940 VanDerWaalsContact O-CD 3.24Å; G938-P940 WeakPolarHBondContact O-CD 3.37Å |
| 939 | A | 42.1 | Very low | 52.5 | Low | 100 Ų | 100 | 122.3 Ų | 122.3 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | | | trans | -82.9 | 113.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 940 | P | 50.8 | Low | 54.8 | Low | 102 Ų | 102 | 118.8 Ų | 118.8 | 66% | 0.662 | 73% | 0.727 | S | S | * | * | | | trans | -73.4 | 140.8 | 170.3 | 31.4 | -34.2 | 0 | 0 | 0 | 110.5 | G938 F942 | G938-P940 VanDerWaalsContact O-CD 3.24Å; G938-P940 WeakPolarHBondContact O-CD 3.37Å; P940-F942 PolarHBondContact O-N 3.37Å; P940-F942 VanDerWaalsContact O-N 3.16Å |
| 941 | K | 52.8 | Low | 57.4 | Low | 207 Ų | 207 | 119.5 Ų | 119.5 | 90% | 0.9 | 71% | 0.71 | S | S | * | * | | | trans | -67 | 113.4 | 175.4 | -69.2 | 176.6 | 179 | 175.1 | 0 | 109.6 | | |
| 942 | F | 47.6 | Very low | 59.8 | Low | 194 Ų | 194 | 116.8 Ų | 116.8 | 85% | 0.851 | 69% | 0.693 | S | S | * | * | | | trans | -59.9 | 129.3 | 174.7 | -84.1 | -90.7 | 0 | 0 | 0 | 110.8 | P940 | P940-F942 PolarHBondContact O-N 3.37Å; P940-F942 VanDerWaalsContact O-N 3.16Å |
| 943 | P | 54.2 | Low | 62.2 | Low | 109 Ų | 109 | 116.4 Ų | 116.4 | 71% | 0.708 | 68% | 0.681 | S | S | * | * | | | trans | -71.1 | 133.3 | 172 | 29.7 | -33.2 | 0 | 0 | 0 | 110.1 | | |
| 944 | H | 58.7 | Low | 64.7 | Low | 143 Ų | 143 | 111.8 Ų | 111.8 | 66% | 0.662 | 65% | 0.654 | S | S | * | * | | | trans | 19.3 | 107.3 | 164.5 | -58.7 | -78.2 | 0 | 0 | 0 | 117.7 | | |
| 945 | S | 68.3 | Low | 67.3 | Low | 98 Ų | 98 | 113 Ų | 113 | 69% | 0.685 | 64% | 0.643 | S | S | * | * | | | trans | -41.5 | 140.7 | 171.9 | -45.3 | 0 | 0 | 0 | 0 | 112.8 | S947 S948 | S945-S947 PolarHBondContact O-N 3.48Å; S945-S948 VanDerWaalsContact O-CB 3.29Å; S945-S948 WeakPolarHBondContact O-CB 3.41Å; S945-S948 PolarHBondContact O-N 2.95Å |
| 946 | F | 79.2 | Confident | 70 | Confident | 162 Ų | 162 | 111.5 Ų | 111.5 | 71% | 0.711 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -45.3 | -32.3 | -178 | -176.9 | -109.7 | 0 | 0 | 0 | 115.1 | S948 T949 L950 | F946-S948 VanDerWaalsContact C-N 3.33Å; F946-S948 PolarHBondContact O-N 3.11Å; F946-T949 PolarHBondContact O-N 2.85Å; F946-L950 HydrophobicContact CD1-CD1 3.85Å; F946-L950 HydrophobicContact CD1-CG 4.34Å; F946-L950 HydrophobicContact CE1-CD1 3.5Å; F946-L950 HydrophobicContact CE1-CG 4.07Å; F946-L950 HydrophobicContact CZ-CD1 4.12Å; F946-L950 HydrophobicContact CZ-CD2 4.44Å; F946-L950 HydrophobicContact CZ-CG 4.28Å; F946-L950 PolarHBondContact O-N 3.42Å |
| 947 | S | 83 | Confident | 72.7 | Confident | 87 Ų | 87 | 111.7 Ų | 111.7 | 61% | 0.608 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -57.1 | -39.5 | 172.4 | -165.8 | 0 | 0 | 0 | 0 | 113.7 | S945 L950 E951 | S945-S947 PolarHBondContact O-N 3.48Å; S947-L950 PolarHBondContact O-N 3.08Å; S947-E951 WeakPolarHBondContact O-CB 3.43Å; S947-E951 PolarHBondContact O-N 3.15Å |
| 948 | S | 85.4 | Confident | 75.4 | Confident | 38 Ų | 38 | 114.4 Ų | 114.4 | 27% | 0.266 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.2 | -41.3 | 178.7 | -176.6 | 0 | 0 | 0 | 0 | 111.6 | S945 F946 E951 Q952 | S945-S948 VanDerWaalsContact O-CB 3.29Å; S945-S948 WeakPolarHBondContact O-CB 3.41Å; S945-S948 PolarHBondContact O-N 2.95Å; F946-S948 VanDerWaalsContact C-N 3.33Å; F946-S948 PolarHBondContact O-N 3.11Å; S948-E951 PolarHBondContact O-N 3.31Å; S948-Q952 WeakPolarHBondContact O-CG 3.42Å; S948-Q952 PolarHBondContact O-N 2.96Å |
| 949 | T | 87.6 | Confident | 78.1 | Confident | 78 Ų | 78 | 116.4 Ų | 116.4 | 48% | 0.479 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.1 | -41.4 | 175.4 | -42.9 | 0 | 0 | 0 | 0 | 111.6 | F946 E951 L953 | F946-T949 PolarHBondContact O-N 2.85Å; T949-E951 VanDerWaalsContact C-N 3.34Å; T949-L953 WeakPolarHBondContact O-CB 3.48Å; T949-L953 PolarHBondContact O-N 2.82Å |
| 950 | L | 91.8 | Very high | 80.5 | Confident | 90 Ų | 90 | 114.5 Ų | 114.5 | 47% | 0.471 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.8 | -37.9 | 172.6 | -75.3 | -179.7 | 0 | 0 | 0 | 112.3 | F946 S947 L953 A954 | F946-L950 HydrophobicContact CD1-CD1 3.85Å; F946-L950 HydrophobicContact CD1-CG 4.34Å; F946-L950 HydrophobicContact CE1-CD1 3.5Å; F946-L950 HydrophobicContact CE1-CG 4.07Å; F946-L950 HydrophobicContact CZ-CD1 4.12Å; F946-L950 HydrophobicContact CZ-CD2 4.44Å; F946-L950 HydrophobicContact CZ-CG 4.28Å; F946-L950 PolarHBondContact O-N 3.42Å; S947-L950 PolarHBondContact O-N 3.08Å; L950-L953 PolarHBondContact O-N 3.48Å; L950-A954 WeakPolarHBondContact O-CB 3.48Å; L950-A954 PolarHBondContact O-N 3.03Å |
| 951 | E | 91.2 | Very high | 82.4 | Confident | 92 Ų | 92 | 114.5 Ų | 114.5 | 43% | 0.43 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71.2 | -40.7 | 178.1 | -158.6 | -170.6 | 146 | 0 | 0 | 112.1 | S947 S948 T949 L953 A954 R955 | S947-E951 WeakPolarHBondContact O-CB 3.43Å; S947-E951 PolarHBondContact O-N 3.15Å; S948-E951 PolarHBondContact O-N 3.31Å; T949-E951 VanDerWaalsContact C-N 3.34Å; E951-L953 VanDerWaalsContact C-N 3.35Å; E951-L953 PolarHBondContact O-N 3.18Å; E951-A954 CarbonylContact O-C 3.6Å; E951-A954 PolarHBondContact O-N 3.08Å; E951-A954 VanDerWaalsContact O-N 3.17Å; E951-R955 WeakPolarHBondContact O-CG 3.45Å; E951-R955 PolarHBondContact O-N 2.75Å; E951-R955 IonicContact OE1-CZ 3.26Å; E951-R955 IonicContact OE1-NE 2.99Å; E951-R955 PolarHBondContact OE1-NE 3.19Å; E951-R955 IonicContact OE1-NH2 3.09Å; E951-R955 PolarHBondContact OE1-NH2 2.95Å |
| 952 | Q | 91.8 | Very high | 84.2 | Confident | 121 Ų | 121 | 113.3 Ų | 113.3 | 57% | 0.565 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -58.4 | -46.2 | 171.6 | -76.5 | 177.6 | -16.7 | 0 | 0 | 111.2 | S948 A954 R955 Q956 | S948-Q952 WeakPolarHBondContact O-CG 3.42Å; S948-Q952 PolarHBondContact O-N 2.96Å; Q952-A954 VanDerWaalsContact C-N 3.29Å; Q952-A954 PolarHBondContact O-N 2.92Å; Q952-R955 PolarHBondContact O-N 3.35Å; Q952-Q956 WeakPolarHBondContact O-CB 3.47Å; Q952-Q956 PolarHBondContact O-N 3.12Å |
| 953 | L | 91.1 | Very high | 86.4 | Confident | 106 Ų | 106 | 105.9 Ų | 105.9 | 56% | 0.555 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.4 | -37.5 | 175.3 | -165.6 | 76.5 | 0 | 0 | 0 | 112 | T949 L950 E951 K957 | T949-L953 WeakPolarHBondContact O-CB 3.48Å; T949-L953 PolarHBondContact O-N 2.82Å; L950-L953 PolarHBondContact O-N 3.48Å; E951-L953 VanDerWaalsContact C-N 3.35Å; E951-L953 PolarHBondContact O-N 3.18Å; L953-K957 WeakPolarHBondContact O-CB 3.47Å; L953-K957 PolarHBondContact O-N 2.89Å |
| 954 | A | 93 | Very high | 88.1 | Confident | 40 Ų | 40 | 104.6 Ų | 104.6 | 33% | 0.331 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70 | -37.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L950 E951 Q952 R958 | L950-A954 WeakPolarHBondContact O-CB 3.48Å; L950-A954 PolarHBondContact O-N 3.03Å; E951-A954 CarbonylContact O-C 3.6Å; E951-A954 PolarHBondContact O-N 3.08Å; E951-A954 VanDerWaalsContact O-N 3.17Å; Q952-A954 VanDerWaalsContact C-N 3.29Å; Q952-A954 PolarHBondContact O-N 2.92Å; A954-R958 VanDerWaalsContact O-CG 3.29Å; A954-R958 WeakPolarHBondContact O-CG 3.4Å; A954-R958 PolarHBondContact O-N 3.47Å; A954-R958 VanDerWaalsContact O-N 3.12Å |
| 955 | R | 94.6 | Very high | 89.7 | Confident | 131 Ų | 131 | 107.1 Ų | 107.1 | 49% | 0.494 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.9 | -52.1 | 173.3 | -70.6 | 173.2 | -176 | -148.2 | 6.1 | 110.6 | E951 Q952 K957 R958 E959 | E951-R955 WeakPolarHBondContact O-CG 3.45Å; E951-R955 PolarHBondContact O-N 2.75Å; E951-R955 IonicContact OE1-CZ 3.26Å; E951-R955 IonicContact OE1-NE 2.99Å; E951-R955 PolarHBondContact OE1-NE 3.19Å; E951-R955 IonicContact OE1-NH2 3.09Å; E951-R955 PolarHBondContact OE1-NH2 2.95Å; Q952-R955 PolarHBondContact O-N 3.35Å; R955-K957 VanDerWaalsContact C-N 3.28Å; R955-K957 PolarHBondContact O-N 3.36Å; R955-R958 WeakPolarHBondContact O-CA 3.45Å; R955-R958 WeakPolarHBondContact O-CB 3.49Å; R955-R958 PolarHBondContact O-N 3.1Å; R955-E959 PolarHBondContact O-N 3.33Å |
| 956 | Q | 93.5 | Very high | 90.8 | Very high | 126 Ų | 126 | 108.6 Ų | 108.6 | 59% | 0.589 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -54.9 | -40.9 | 176.1 | -168.9 | -176.9 | 29.3 | 0 | 0 | 112.3 | Q952 E959 A960 | Q952-Q956 WeakPolarHBondContact O-CB 3.47Å; Q952-Q956 PolarHBondContact O-N 3.12Å; Q956-E959 PolarHBondContact O-N 2.94Å; Q956-A960 WeakPolarHBondContact O-CB 3.29Å; Q956-A960 PolarHBondContact O-N 3.17Å |
| 957 | K | 94.2 | Very high | 91.5 | Very high | 144 Ų | 144 | 107 Ų | 107 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.5 | -35.6 | 175.5 | -172.4 | 174.3 | -179.3 | 179.5 | 0 | 113.2 | L953 R955 M961 | L953-K957 WeakPolarHBondContact O-CB 3.47Å; L953-K957 PolarHBondContact O-N 2.89Å; R955-K957 VanDerWaalsContact C-N 3.28Å; R955-K957 PolarHBondContact O-N 3.36Å; K957-M961 WeakPolarHBondContact O-CG 3.49Å; K957-M961 PolarHBondContact O-N 3.1Å; K957-M961 VanDerWaalsContact O-N 3.15Å |
| 958 | R | 95.1 | Very high | 91.9 | Very high | 159 Ų | 159 | 105.6 Ų | 105.6 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.5 | -40.8 | 174.1 | -70.2 | 167.1 | -172.8 | 174.5 | 3.9 | 111.3 | A954 R955 M961 R962 | A954-R958 VanDerWaalsContact O-CG 3.29Å; A954-R958 WeakPolarHBondContact O-CG 3.4Å; A954-R958 PolarHBondContact O-N 3.47Å; A954-R958 VanDerWaalsContact O-N 3.12Å; R955-R958 WeakPolarHBondContact O-CA 3.45Å; R955-R958 WeakPolarHBondContact O-CB 3.49Å; R955-R958 PolarHBondContact O-N 3.1Å; R958-M961 PolarHBondContact O-N 3.16Å; R958-R962 WeakPolarHBondContact O-CG 3.29Å; R958-R962 PolarHBondContact O-N 3.35Å |
| 959 | E | 94.8 | Very high | 92.3 | Very high | 118 Ų | 118 | 106.6 Ų | 106.6 | 55% | 0.551 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.8 | -46.4 | 177.2 | -74 | 149.8 | -158.3 | 0 | 0 | 111.6 | R955 Q956 M961 R962 G963 | R955-E959 PolarHBondContact O-N 3.33Å; Q956-E959 PolarHBondContact O-N 2.94Å; E959-M961 VanDerWaalsContact C-N 3.35Å; E959-M961 PolarHBondContact O-N 3.08Å; E959-R962 WeakPolarHBondContact O-CB 3.33Å; E959-R962 PolarHBondContact O-N 3.13Å; E959-R962 VanDerWaalsContact O-N 3.08Å; E959-G963 PolarHBondContact O-N 3.15Å |
| 960 | A | 91.1 | Very high | 92.7 | Very high | 59 Ų | 59 | 108.4 Ų | 108.4 | 49% | 0.488 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57 | -45.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q956 R962 G963 C964 | Q956-A960 WeakPolarHBondContact O-CB 3.29Å; Q956-A960 PolarHBondContact O-N 3.17Å; A960-R962 VanDerWaalsContact C-N 3.33Å; A960-R962 PolarHBondContact O-N 3.32Å; A960-G963 PolarHBondContact O-N 2.96Å; A960-C964 PolarHBondContact O-N 2.82Å; A960-C964 PolarHBondContact O-SG 3.05Å; A960-C964 VanDerWaalsContact O-SG 3.36Å |
| 961 | M | 91.6 | Very high | 92.8 | Very high | 103 Ų | 103 | 109 Ų | 109 | 51% | 0.507 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.6 | -28.6 | 176.1 | -69.7 | -169.5 | -52.3 | 0 | 0 | 113.5 | K957 R958 E959 R965 | K957-M961 WeakPolarHBondContact O-CG 3.49Å; K957-M961 PolarHBondContact O-N 3.1Å; K957-M961 VanDerWaalsContact O-N 3.15Å; R958-M961 PolarHBondContact O-N 3.16Å; E959-M961 VanDerWaalsContact C-N 3.35Å; E959-M961 PolarHBondContact O-N 3.08Å; M961-R965 WeakPolarHBondContact O-CG 3.42Å; M961-R965 PolarHBondContact O-N 3.26Å; M961-R965 VanDerWaalsContact O-N 3.15Å |
| 962 | R | 91.5 | Very high | 93 | Very high | 182 Ų | 182 | 107.5 Ų | 107.5 | 69% | 0.687 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.8 | -43 | 170 | -78.4 | 176.5 | 168.9 | -177.8 | -5.5 | 111.1 | R958 E959 A960 R965 L966 | R958-R962 WeakPolarHBondContact O-CG 3.29Å; R958-R962 PolarHBondContact O-N 3.35Å; E959-R962 WeakPolarHBondContact O-CB 3.33Å; E959-R962 PolarHBondContact O-N 3.13Å; E959-R962 VanDerWaalsContact O-N 3.08Å; A960-R962 VanDerWaalsContact C-N 3.33Å; A960-R962 PolarHBondContact O-N 3.32Å; R962-R965 PolarHBondContact O-N 3.33Å; R962-L966 PolarHBondContact O-N 3.33Å |
| 963 | G | 93.4 | Very high | 93.1 | Very high | 37 Ų | 37 | 104.7 Ų | 104.7 | 38% | 0.381 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -56.8 | -49.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E959 A960 R965 L966 Q967 | E959-G963 PolarHBondContact O-N 3.15Å; A960-G963 PolarHBondContact O-N 2.96Å; G963-R965 VanDerWaalsContact C-N 3.31Å; G963-R965 PolarHBondContact O-N 3Å; G963-L966 PolarHBondContact O-N 3.11Å; G963-Q967 PolarHBondContact O-N 3.34Å |
| 964 | C | 90 | Very high | 93.3 | Very high | 82 Ų | 82 | 103.7 Ų | 103.7 | 55% | 0.554 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.3 | -36.5 | 176.5 | -61.6 | 0 | 0 | 0 | 0 | 113.1 | A960 A968 | A960-C964 PolarHBondContact O-N 2.82Å; A960-C964 PolarHBondContact O-SG 3.05Å; A960-C964 VanDerWaalsContact O-SG 3.36Å; C964-A968 WeakPolarHBondContact O-CB 3.4Å; C964-A968 PolarHBondContact O-N 2.93Å |
| 965 | R | 91.2 | Very high | 93.3 | Very high | 197 Ų | 197 | 104.5 Ų | 104.5 | 74% | 0.743 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.6 | -40.1 | 175.6 | -76.2 | 176.5 | 178.4 | -162.3 | -2.2 | 112.6 | M961 R962 G963 A968 A969 | M961-R965 WeakPolarHBondContact O-CG 3.42Å; M961-R965 PolarHBondContact O-N 3.26Å; M961-R965 VanDerWaalsContact O-N 3.15Å; R962-R965 PolarHBondContact O-N 3.33Å; G963-R965 VanDerWaalsContact C-N 3.31Å; G963-R965 PolarHBondContact O-N 3Å; R965-A968 PolarHBondContact O-N 3.19Å; R965-A969 WeakPolarHBondContact O-CB 3.49Å; R965-A969 PolarHBondContact O-N 2.99Å |
| 966 | L | 92.5 | Very high | 93.2 | Very high | 128 Ų | 128 | 104.7 Ų | 104.7 | 67% | 0.67 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.7 | -43.7 | 173.9 | -78.6 | 161.4 | 0 | 0 | 0 | 111.3 | R962 G963 A969 L970 | R962-L966 PolarHBondContact O-N 3.33Å; G963-L966 PolarHBondContact O-N 3.11Å; L966-A969 PolarHBondContact O-N 3.36Å; L966-L970 WeakPolarHBondContact O-CB 3.44Å; L966-L970 PolarHBondContact O-N 3.15Å |
| 967 | Q | 92.9 | Very high | 93.1 | Very high | 130 Ų | 130 | 105 Ų | 105 | 61% | 0.607 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.4 | -42.2 | 176.1 | -169.2 | 177.1 | 14.6 | 0 | 0 | 112 | G963 L970 L971 | G963-Q967 PolarHBondContact O-N 3.34Å; Q967-L970 PolarHBondContact O-N 3.05Å; Q967-L971 HydrophobicContact CG-CD1 4.36Å; Q967-L971 WeakPolarHBondContact O-CB 3.36Å; Q967-L971 WeakPolarHBondContact O-CG 3.42Å; Q967-L971 PolarHBondContact O-N 2.92Å |
| 968 | A | 91.3 | Very high | 93 | Very high | 57 Ų | 57 | 104 Ų | 104 | 47% | 0.471 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.8 | -40.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | C964 R965 L971 A972 | C964-A968 WeakPolarHBondContact O-CB 3.4Å; C964-A968 PolarHBondContact O-N 2.93Å; R965-A968 PolarHBondContact O-N 3.19Å; A968-L971 PolarHBondContact O-N 3.22Å; A968-A972 WeakPolarHBondContact O-CB 3.47Å; A968-A972 PolarHBondContact O-N 3.25Å |
| 969 | A | 93.8 | Very high | 92.8 | Very high | 59 Ų | 59 | 106.7 Ų | 106.7 | 49% | 0.488 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.9 | -38.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R965 L966 A972 S973 | R965-A969 WeakPolarHBondContact O-CB 3.49Å; R965-A969 PolarHBondContact O-N 2.99Å; L966-A969 PolarHBondContact O-N 3.36Å; A969-A972 PolarHBondContact O-N 3.49Å; A969-S973 WeakPolarHBondContact O-CB 3.49Å; A969-S973 PolarHBondContact O-N 3.37Å |
| 970 | L | 95.7 | Very high | 92.6 | Very high | 116 Ų | 116 | 106.4 Ų | 106.4 | 61% | 0.607 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.6 | -42 | 176.1 | -168.8 | 152.9 | 0 | 0 | 0 | 111.4 | L966 Q967 S973 L974 | L966-L970 WeakPolarHBondContact O-CB 3.44Å; L966-L970 PolarHBondContact O-N 3.15Å; Q967-L970 PolarHBondContact O-N 3.05Å; L970-S973 PolarHBondContact O-N 3.39Å; L970-L974 WeakPolarHBondContact O-CB 3.36Å; L970-L974 PolarHBondContact O-N 3.3Å |
| 971 | L | 95.1 | Very high | 92.3 | Very high | 103 Ų | 103 | 106.7 Ų | 106.7 | 54% | 0.539 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64 | -39.7 | 173.2 | -73.6 | 169.5 | 0 | 0 | 0 | 112.4 | Q967 A968 L974 A975 | Q967-L971 HydrophobicContact CG-CD1 4.36Å; Q967-L971 WeakPolarHBondContact O-CB 3.36Å; Q967-L971 WeakPolarHBondContact O-CG 3.42Å; Q967-L971 PolarHBondContact O-N 2.92Å; A968-L971 PolarHBondContact O-N 3.22Å; L971-L974 PolarHBondContact O-N 3.29Å; L971-A975 WeakPolarHBondContact O-CB 3.48Å; L971-A975 PolarHBondContact O-N 3.28Å |
| 972 | A | 95.1 | Very high | 91.7 | Very high | 60 Ų | 60 | 104.8 Ų | 104.8 | 50% | 0.496 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.9 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | A968 A969 A975 Q976 | A968-A972 WeakPolarHBondContact O-CB 3.47Å; A968-A972 PolarHBondContact O-N 3.25Å; A969-A972 PolarHBondContact O-N 3.49Å; A972-A975 PolarHBondContact O-N 3.08Å; A972-Q976 WeakPolarHBondContact O-CB 3.24Å; A972-Q976 PolarHBondContact O-N 3.16Å |
| 973 | S | 94.5 | Very high | 90 | Very high | 61 Ų | 61 | 105.4 Ų | 105.4 | 43% | 0.427 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.1 | -45.2 | 174.7 | -173 | 0 | 0 | 0 | 0 | 111.7 | A969 L970 Q976 Q977 | A969-S973 WeakPolarHBondContact O-CB 3.49Å; A969-S973 PolarHBondContact O-N 3.37Å; L970-S973 PolarHBondContact O-N 3.39Å; S973-Q976 PolarHBondContact O-N 3.28Å; S973-Q977 WeakPolarHBondContact O-CG 3.36Å; S973-Q977 PolarHBondContact O-N 3.44Å |
| 974 | L | 93.8 | Very high | 89.8 | Confident | 85 Ų | 85 | 108.9 Ų | 108.9 | 45% | 0.445 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.5 | -39.1 | 177.9 | -174 | 141.2 | 0 | 0 | 0 | 112.1 | L970 L971 Q976 Q977 L978 | L970-L974 WeakPolarHBondContact O-CB 3.36Å; L970-L974 PolarHBondContact O-N 3.3Å; L971-L974 PolarHBondContact O-N 3.29Å; L974-Q976 VanDerWaalsContact C-N 3.32Å; L974-Q976 PolarHBondContact O-N 2.91Å; L974-Q977 PolarHBondContact O-N 3.39Å; L974-L978 HydrophobicContact CD2-CD1 3.69Å; L974-L978 HydrophobicContact CD2-CG 4.37Å; L974-L978 WeakPolarHBondContact O-CB 3.45Å; L974-L978 WeakPolarHBondContact O-CG 3.48Å; L974-L978 PolarHBondContact O-N 3.04Å |
| 975 | A | 93.5 | Very high | 89.8 | Confident | 57 Ų | 57 | 110.3 Ų | 110.3 | 47% | 0.471 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.5 | -35.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L971 A972 R979 | L971-A975 WeakPolarHBondContact O-CB 3.48Å; L971-A975 PolarHBondContact O-N 3.28Å; A972-A975 PolarHBondContact O-N 3.08Å; A975-R979 WeakPolarHBondContact O-CB 3.29Å; A975-R979 PolarHBondContact O-N 3Å |
| 976 | Q | 92.3 | Very high | 89.7 | Confident | 136 Ų | 136 | 105.4 Ų | 105.4 | 64% | 0.636 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.4 | -38.8 | 175 | -171.6 | 168.4 | -5 | 0 | 0 | 111.9 | A972 S973 L974 R979 V980 | A972-Q976 WeakPolarHBondContact O-CB 3.24Å; A972-Q976 PolarHBondContact O-N 3.16Å; S973-Q976 PolarHBondContact O-N 3.28Å; L974-Q976 VanDerWaalsContact C-N 3.32Å; L974-Q976 PolarHBondContact O-N 2.91Å; Q976-R979 PolarHBondContact O-N 3.17Å; Q976-V980 WeakPolarHBondContact O-CG2 3.44Å; Q976-V980 PolarHBondContact O-N 3.26Å |
| 977 | Q | 91.2 | Very high | 89.6 | Confident | 133 Ų | 133 | 104.1 Ų | 104.1 | 62% | 0.621 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.4 | -45.6 | 172.3 | -75.3 | 179 | -22.4 | 0 | 0 | 111.8 | S973 L974 R979 V980 G981 | S973-Q977 WeakPolarHBondContact O-CG 3.36Å; S973-Q977 PolarHBondContact O-N 3.44Å; L974-Q977 PolarHBondContact O-N 3.39Å; Q977-R979 VanDerWaalsContact C-N 3.29Å; Q977-R979 PolarHBondContact O-N 3.21Å; Q977-V980 PolarHBondContact O-N 3.28Å; Q977-G981 PolarHBondContact O-N 3Å |
| 978 | L | 93.2 | Very high | 89.4 | Confident | 123 Ų | 123 | 102.5 Ų | 102.5 | 64% | 0.644 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.6 | -32.8 | 175.6 | -71.4 | 173.5 | 0 | 0 | 0 | 112.9 | L974 G982 | L974-L978 HydrophobicContact CD2-CD1 3.69Å; L974-L978 HydrophobicContact CD2-CG 4.37Å; L974-L978 WeakPolarHBondContact O-CB 3.45Å; L974-L978 WeakPolarHBondContact O-CG 3.48Å; L974-L978 PolarHBondContact O-N 3.04Å; L978-G982 PolarHBondContact O-N 3.42Å |
| 979 | R | 90.4 | Very high | 89.3 | Confident | 215 Ų | 215 | 105.5 Ų | 105.5 | 81% | 0.811 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72.7 | -27.8 | 174.4 | -179.7 | 172.9 | -75.9 | 169 | -5.4 | 113.3 | A975 Q976 Q977 | A975-R979 WeakPolarHBondContact O-CB 3.29Å; A975-R979 PolarHBondContact O-N 3Å; Q976-R979 PolarHBondContact O-N 3.17Å; Q977-R979 VanDerWaalsContact C-N 3.29Å; Q977-R979 PolarHBondContact O-N 3.21Å |
| 980 | V | 91.1 | Very high | 88.9 | Confident | 111 Ų | 111 | 108.9 Ų | 108.9 | 67% | 0.673 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -88 | -34.5 | 178.6 | 172.4 | 0 | 0 | 0 | 0 | 112 | Q976 Q977 G982 | Q976-V980 WeakPolarHBondContact O-CG2 3.44Å; Q976-V980 PolarHBondContact O-N 3.26Å; Q977-V980 PolarHBondContact O-N 3.28Å; V980-G982 VanDerWaalsContact C-N 3.31Å; V980-G982 PolarHBondContact O-N 3.09Å |
| 981 | G | 85.2 | Confident | 88.4 | Confident | 66 Ų | 66 | 108.3 Ų | 108.3 | 68% | 0.68 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -90.1 | 20.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q977 | Q977-G981 PolarHBondContact O-N 3Š|
| 982 | G | 77.3 | Confident | 87.8 | Confident | 62 Ų | 62 | 108.8 Ų | 108.8 | 64% | 0.639 | 64% | 0.644 | S | S | * | * | | | trans | -103.1 | 15.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L978 V980 | L978-G982 PolarHBondContact O-N 3.42Å; V980-G982 VanDerWaalsContact C-N 3.31Å; V980-G982 PolarHBondContact O-N 3.09Å |
| 983 | V | 56.6 | Low | 87.2 | Confident | 196 Ų | 196 | 113.2 Ų | 113.2 | 100% | 1.188 | 66% | 0.658 | S | S | * | * | | | trans | -134.5 | 0 | 178.6 | -174.2 | 0 | 0 | 0 | 0 | 108.2 | | |