| 1 | A | 58.5 | Low | 56.6 | Low | 129 Ų | 129 | 142.8 Ų | 142.8 | 100% | 1.066 | 82% | 0.823 | S | S | * | * | | | | 0 | 62.9 | 0 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 2 | D | 53.4 | Low | 56.2 | Low | 152 Ų | 152 | 141.3 Ų | 141.3 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | | | | 85.8 | 121.2 | 56.6 | -52.6 | -22.2 | 0 | 0 | 0 | 109.4 | | |
| 3 | V | 61.4 | Low | 55.7 | Low | 129 Ų | 129 | 135.7 Ų | 135.7 | 78% | 0.782 | 81% | 0.813 | S | S | * | * | | | cis | -140.3 | 149.2 | 8.1 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 4 | L | 53.2 | Low | 55.3 | Low | 159 Ų | 159 | 139.2 Ų | 139.2 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | | | trans | -114.9 | 143.8 | 157.6 | -89 | 171.1 | 0 | 0 | 0 | 109.6 | | |
| 5 | P | 73.9 | Confident | 54.8 | Low | 110 Ų | 110 | 137.3 Ų | 137.3 | 71% | 0.714 | 81% | 0.813 | S | S | * | * | | | trans | -120.4 | 133.4 | 137.9 | 34.3 | -26.6 | 0 | 0 | 0 | 110.1 | | |
| 6 | H | 55.1 | Low | 54.6 | Low | 152 Ų | 152 | 136.5 Ų | 136.5 | 70% | 0.704 | 81% | 0.811 | S | S | * | * | | | | 78.8 | 105.5 | 57.2 | -109.7 | -88 | 0 | 0 | 0 | 115.5 | | |
| 7 | E | 47.3 | Very low | 54.2 | Low | 176 Ų | 176 | 137.2 Ų | 137.2 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | | | trans | 61.7 | 150.5 | 144.3 | -74 | 172.7 | 149.7 | 0 | 0 | 123 | | |
| 8 | G | 63.3 | Low | 54.7 | Low | 74 Ų | 74 | 136.7 Ų | 136.7 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | | | trans | 169.2 | 34.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | V10 | G8-V10 PolarHBondContact O-N 3.44Š|
| 9 | H | 47.6 | Very low | 54 | Low | 192 Ų | 192 | 135.3 Ų | 135.3 | 89% | 0.889 | 80% | 0.803 | S | S | * | * | | | trans | -76.7 | 115.1 | 176.6 | -94.9 | -82.3 | 0 | 0 | 0 | 111.1 | | |
| 10 | V | 58.7 | Low | 53.7 | Low | 133 Ų | 133 | 134.1 Ų | 134.1 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | | | trans | -139.3 | 110.1 | 165.1 | -174.1 | 0 | 0 | 0 | 0 | 112.1 | G8 | G8-V10 PolarHBondContact O-N 3.44Š|
| 11 | L | 49.7 | Very low | 53.2 | Low | 165 Ų | 165 | 135 Ų | 135 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | -138.7 | 163.5 | 149.8 | -72.4 | 178.4 | 0 | 0 | 0 | 104.8 | | |
| 12 | P | 51.9 | Low | 52.6 | Low | 125 Ų | 125 | 136.5 Ų | 136.5 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | cis | -136.2 | -160.6 | 15.3 | 43.6 | -25.3 | 0 | 0 | 0 | 113.7 | | |
| 13 | G | 50.6 | Low | 52.2 | Low | 68 Ų | 68 | 134.6 Ų | 134.6 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | trans | 104.8 | 157.8 | 156.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 14 | E | 50 | Low | 51.1 | Low | 185 Ų | 185 | 136.3 Ų | 136.3 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | cis | -167.1 | 149.9 | -18.8 | -145.6 | 179.1 | 153.2 | 0 | 0 | 110.6 | | |
| 15 | S | 48 | Very low | 50.6 | Low | 110 Ų | 110 | 132.9 Ų | 132.9 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | trans | 63.1 | 169 | 166.3 | 82.1 | 0 | 0 | 0 | 0 | 116.8 | | |
| 16 | T | 51.5 | Low | 49 | Very low | 125 Ų | 125 | 133 Ų | 133 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | | | cis | -138.1 | 142.9 | 1.9 | -55 | 0 | 0 | 0 | 0 | 110.6 | | |
| 17 | L | 48 | Very low | 48.5 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | | | trans | -106.9 | 143.8 | 163.4 | -78.6 | 170.3 | 0 | 0 | 0 | 110.4 | | |
| 18 | P | 62.8 | Low | 48 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | trans | -99.3 | 115.1 | 160.5 | 33.2 | -25.3 | 0 | 0 | 0 | 111.2 | | |
| 19 | T | 42.1 | Very low | 47.2 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | | | trans | -135.5 | 114.5 | 171 | -44.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 20 | S | 46.3 | Very low | 47.3 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | -176.4 | 128 | 158.1 | -78.1 | 0 | 0 | 0 | 0 | 105.7 | | |
| 21 | E | 44.8 | Very low | 46.6 | Very low | 154 Ų | 154 | 134.9 Ų | 134.9 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | | | cis | 76.6 | 147.8 | 44.6 | -63.2 | -151.5 | -174.6 | 0 | 0 | 115.5 | | |
| 22 | H | 45.7 | Very low | 46.9 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | | | trans | 75.7 | 149.1 | 177.4 | -55 | -53.4 | 0 | 0 | 0 | 118.9 | | |
| 23 | V | 43.6 | Very low | 47 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | | | cis | 174.5 | 126.6 | -41.3 | 135.4 | 0 | 0 | 0 | 0 | 106.5 | | |
| 24 | L | 39.5 | Very low | 46.9 | Very low | 165 Ų | 165 | 133.7 Ų | 133.7 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | | | trans | 62 | 163.6 | 174.9 | -59.5 | 162.2 | 0 | 0 | 0 | 114.1 | | |
| 25 | S | 41.6 | Very low | 46.9 | Very low | 87 Ų | 87 | 130.1 Ų | 130.1 | 61% | 0.608 | 76% | 0.762 | S | S | * | * | | | cis | -157.8 | 146.8 | 12.7 | -159.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 26 | T | 40.8 | Very low | 46.8 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 69% | 0.693 | 76% | 0.76 | S | S | * | * | | | trans | 54.6 | 144.9 | 144.2 | 41 | 0 | 0 | 0 | 0 | 124.7 | | |
| 27 | Q | 44.5 | Very low | 46.8 | Very low | 181 Ų | 181 | 129.8 Ų | 129.8 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | | | trans | 92.4 | 109.6 | 144.7 | -81.2 | 174.4 | 85.7 | 0 | 0 | 121.4 | | |
| 28 | Q | 37.7 | Very low | 46.8 | Very low | 182 Ų | 182 | 127 Ų | 127 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | | | trans | -61 | -178.5 | 146.1 | -109.4 | -171.9 | -11.3 | 0 | 0 | 112 | | |
| 29 | P | 46.4 | Very low | 46 | Very low | 105 Ų | 105 | 128 Ų | 128 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | | | cis | -130.6 | -169.6 | -3 | 37.2 | -18.3 | 0 | 0 | 0 | 113.6 | | |
| 30 | V | 50.3 | Low | 46.3 | Very low | 136 Ų | 136 | 130.7 Ų | 130.7 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | | | | 173.3 | 137.7 | 124.5 | 151.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 31 | L | 42.4 | Very low | 46.2 | Very low | 162 Ų | 162 | 129.1 Ų | 129.1 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | | | trans | -100.5 | 167.4 | 170 | -76.3 | 166.8 | 0 | 0 | 0 | 110.3 | | |
| 32 | P | 57.5 | Low | 46.3 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | | -149.4 | 161 | 112.2 | 38.9 | -24.8 | 0 | 0 | 0 | 116.2 | | |
| 33 | S | 52.1 | Low | 46.3 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | | | trans | 52.7 | 135.2 | 144.9 | 59.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 34 | S | 49.6 | Very low | 46.7 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | cis | -166.7 | -168.9 | 4 | -163.4 | 0 | 0 | 0 | 0 | 107 | | |
| 35 | S | 49.8 | Very low | 47.5 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | cis | -157.3 | -177.6 | 15.3 | -84.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 36 | A | 46.4 | Very low | 47.9 | Very low | 89 Ų | 89 | 131.2 Ų | 131.2 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | | | trans | -68.9 | 174.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 37 | V | 50.5 | Low | 48.3 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | | | cis | -154.5 | 170.4 | 29.2 | -169.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 38 | S | 47.6 | Very low | 48.4 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | | | | 176.1 | 145 | -58 | -164.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 39 | L | 46 | Very low | 49 | Very low | 149 Ų | 149 | 126 Ų | 126 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | | | trans | 65.2 | 156.9 | 173.4 | -57.3 | 171.2 | 0 | 0 | 0 | 115.6 | | |
| 40 | Q | 48.6 | Very low | 48.9 | Very low | 165 Ų | 165 | 130.4 Ų | 130.4 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | | | cis | -150.3 | 135.9 | -2 | -118.5 | 155.5 | 12.1 | 0 | 0 | 105.7 | | |
| 41 | A | 45.8 | Very low | 49 | Very low | 78 Ų | 78 | 130 Ų | 130 | 65% | 0.645 | 76% | 0.763 | S | S | * | * | | | | 98.3 | 120.9 | 67.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 42 | E | 46 | Very low | 49.1 | Very low | 187 Ų | 187 | 126.5 Ų | 126.5 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | | | trans | 63.2 | 156 | 158.2 | -51.5 | -179.2 | 110.2 | 0 | 0 | 117.9 | | |
| 43 | V | 46.6 | Very low | 48.6 | Very low | 133 Ų | 133 | 126.7 Ų | 126.7 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | | | cis | -138.5 | 154.9 | 14.8 | 175.7 | 0 | 0 | 0 | 0 | 111 | | |
| 44 | L | 51.3 | Low | 48.2 | Very low | 155 Ų | 155 | 128.8 Ų | 128.8 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | | | trans | -129.1 | 171.4 | 164.6 | -90.4 | 170.8 | 0 | 0 | 0 | 108.5 | | |
| 45 | P | 56.9 | Low | 48 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | | | cis | -118.4 | -154.9 | -0.6 | 37.5 | -16.8 | 0 | 0 | 0 | 110.3 | | |
| 46 | D | 48.9 | Very low | 47.9 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | | | cis | -149.9 | -147.7 | 12.6 | -136.2 | -31.9 | 0 | 0 | 0 | 109.3 | | |
| 47 | E | 49.3 | Very low | 48.1 | Very low | 158 Ų | 158 | 133.1 Ų | 133.1 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | | | cis | -152.7 | -153.5 | 12.4 | -148.7 | -129.5 | 79.3 | 0 | 0 | 111.8 | | |
| 48 | S | 47.2 | Very low | 47.8 | Very low | 86 Ų | 86 | 133.9 Ų | 133.9 | 60% | 0.601 | 76% | 0.761 | S | S | * | * | | | trans | -87 | -180 | -175.3 | 79.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 49 | T | 50.5 | Low | 47.5 | Very low | 124 Ų | 124 | 137 Ų | 137 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | | | cis | -157.5 | 155 | 23.3 | -106.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 50 | F | 44 | Very low | 47.3 | Very low | 196 Ų | 196 | 135.1 Ų | 135.1 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | | | trans | -89.6 | 178.8 | 174.6 | -89.3 | -78 | 0 | 0 | 0 | 111.7 | | |
| 51 | P | 51.8 | Low | 47.4 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | | | cis | -146.7 | -160.5 | 30 | 44.2 | -20.9 | 0 | 0 | 0 | 116.8 | | |
| 52 | A | 44.4 | Very low | 47.1 | Very low | 89 Ų | 89 | 140.8 Ų | 140.8 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | | | trans | -108.8 | 165.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 53 | S | 47.5 | Very low | 46.9 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | trans | -173.5 | 115.2 | 151.9 | -73.5 | 0 | 0 | 0 | 0 | 106.6 | | |
| 54 | D | 42.8 | Very low | 46.9 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | | | | 92.6 | 158.2 | 67.4 | -95.4 | -46.8 | 0 | 0 | 0 | 114.5 | | |
| 55 | V | 45.4 | Very low | 46.9 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | 82 | 96.7 | 170.2 | -164.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 56 | L | 47.7 | Very low | 46.2 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -90.7 | 176.1 | 137.4 | -71.2 | 170.8 | 0 | 0 | 0 | 108.1 | | |
| 57 | P | 51.6 | Low | 46 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | | | cis | -151.7 | -151.1 | 23.4 | 38.2 | -11 | 0 | 0 | 0 | 116.2 | | |
| 58 | H | 44.3 | Very low | 45.6 | Very low | 153 Ų | 153 | 136 Ų | 136 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | | | trans | 92.2 | 106.4 | 161 | -79.3 | -66.4 | 0 | 0 | 0 | 122.4 | | |
| 59 | E | 41.9 | Very low | 45.3 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | | | | 23.8 | 127 | 125.4 | -58.3 | 175.2 | 126.5 | 0 | 0 | 121.4 | | |
| 60 | C | 41.6 | Very low | 44.7 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | | | | 171.8 | 127.2 | 109 | -90.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 61 | Y | 49.1 | Very low | 44.6 | Very low | 240 Ų | 240 | 137.2 Ų | 137.2 | 94% | 0.941 | 81% | 0.807 | S | S | * | * | | | trans | -146.1 | 130.2 | 159.7 | -86.6 | -71.2 | 0 | 0 | 0 | 111.5 | | |
| 62 | V | 41.3 | Very low | 43.8 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | | | trans | -139.9 | 105.1 | -174.3 | 176 | 0 | 0 | 0 | 0 | 110.9 | | |
| 63 | L | 40.4 | Very low | 43.6 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | | | trans | 56.6 | -174.1 | 154.2 | -61.1 | 174.2 | 0 | 0 | 0 | 116.5 | | |
| 64 | P | 47.7 | Very low | 43.1 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | | | cis | -116.7 | 171.1 | -26.6 | 14.8 | 8.2 | 0 | 0 | 0 | 112.5 | | |
| 65 | G | 51.3 | Low | 42.7 | Very low | 81 Ų | 81 | 138 Ų | 138 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | | | trans | -161.7 | 114.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 66 | Q | 42.7 | Very low | 42.2 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | | | trans | -83.1 | 150 | -178.4 | -59.3 | 163.9 | -13 | 0 | 0 | 112.3 | | |
| 67 | S | 44.5 | Very low | 41.7 | Very low | 131 Ų | 131 | 138.8 Ų | 138.8 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | | | trans | -172.6 | 157.8 | 131.4 | -84.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 68 | A | 39.5 | Very low | 41.3 | Very low | 90 Ų | 90 | 140 Ų | 140 | 74% | 0.744 | 81% | 0.809 | S | S | * | * | | | trans | -100.5 | 167 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 69 | T | 42.2 | Very low | 40.9 | Very low | 143 Ų | 143 | 136 Ų | 136 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | trans | -153.7 | 142.3 | 138.8 | -74.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 70 | V | 37.6 | Very low | 40.6 | Very low | 124 Ų | 124 | 135 Ų | 135 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | | | trans | -99.7 | 145.4 | 177.8 | 171.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 71 | L | 41.2 | Very low | 40.9 | Very low | 165 Ų | 165 | 135.6 Ų | 135.6 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | trans | -171.3 | 147.6 | 141.7 | -99.5 | 170.2 | 0 | 0 | 0 | 109.8 | | |
| 72 | P | 35.3 | Very low | 40.4 | Very low | 110 Ų | 110 | 133 Ų | 133 | 71% | 0.714 | 80% | 0.799 | S | S | * | * | | | trans | -96.6 | 165.6 | -179.5 | 38.1 | -33.5 | 0 | 0 | 0 | 112.9 | | |
| 73 | A | 40.6 | Very low | 40.5 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | | | trans | -137.7 | 111.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 74 | E | 37.1 | Very low | 40.8 | Very low | 184 Ų | 184 | 130.9 Ų | 130.9 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | -80 | -169 | 166.1 | -61.2 | -179.3 | 112.3 | 0 | 0 | 110.2 | | |
| 75 | S | 34 | Very low | 40.5 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | trans | 71.4 | 83.6 | 172.8 | 71.2 | 0 | 0 | 0 | 0 | 117.3 | | |
| 76 | L | 33.8 | Very low | 40.8 | Very low | 163 Ų | 163 | 134 Ų | 134 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | -123.2 | 52.2 | 140 | -143.9 | 169 | 0 | 0 | 0 | 109.6 | V78 | L76-V78 HydrophobicContact CD2-CG2 4.1Å; L76-V78 PolarHBondContact O-N 3.45Å |
| 77 | I | 37.2 | Very low | 41.4 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | | | trans | -79.7 | 113.2 | 166.1 | -62.4 | 175.1 | 0 | 0 | 0 | 106.5 | A79 | I77-A79 VanDerWaalsContact C-N 3.34Å; I77-A79 PolarHBondContact O-N 3.49Å |
| 78 | V | 43.2 | Very low | 42.4 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | | | trans | -72.6 | 93.6 | 168.9 | 179.5 | 0 | 0 | 0 | 0 | 107.5 | L76 D80 | L76-V78 HydrophobicContact CD2-CG2 4.1Å; L76-V78 PolarHBondContact O-N 3.45Å; V78-D80 PolarHBondContact O-N 3.11Å |
| 79 | A | 37.7 | Very low | 44 | Very low | 70 Ų | 70 | 131 Ų | 131 | 58% | 0.579 | 78% | 0.782 | S | S | * | * | | | trans | -75.6 | 113 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | I77 T81 | I77-A79 VanDerWaalsContact C-N 3.34Å; I77-A79 PolarHBondContact O-N 3.49Å; A79-T81 PolarHBondContact O-N 3.43Å; A79-T81 PolarHBondContact O-OG1 2.99Å |
| 80 | D | 35.6 | Very low | 45.3 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | | | trans | -64.6 | 119.8 | -179.7 | -161.4 | -8.2 | 0 | 0 | 0 | 110.8 | V78 | V78-D80 PolarHBondContact O-N 3.11Š|
| 81 | T | 46.5 | Very low | 47 | Very low | 121 Ų | 121 | 126.2 Ų | 126.2 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | | | trans | -138.7 | 93.8 | -177.9 | 29.8 | 0 | 0 | 0 | 0 | 110.9 | A79 A83 | A79-T81 PolarHBondContact O-N 3.43Å; A79-T81 PolarHBondContact O-OG1 2.99Å; T81-A83 PolarHBondContact O-N 3.42Å; T81-A83 VanDerWaalsContact O-N 3.1Å |
| 82 | H | 39.5 | Very low | 48.7 | Very low | 186 Ų | 186 | 121.2 Ų | 121.2 | 86% | 0.861 | 74% | 0.735 | S | S | * | * | | | trans | -61.2 | 105 | 175.6 | -74.2 | -93.8 | 0 | 0 | 0 | 112.7 | | |
| 83 | A | 42 | Very low | 50.6 | Low | 89 Ų | 89 | 118.4 Ų | 118.4 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | | | trans | -149.6 | 102.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T81 | T81-A83 PolarHBondContact O-N 3.42Å; T81-A83 VanDerWaalsContact O-N 3.1Å |
| 84 | V | 47.4 | Very low | 52.2 | Low | 148 Ų | 148 | 116.8 Ų | 116.8 | 90% | 0.897 | 70% | 0.696 | S | S | * | * | | | trans | 47.1 | 79.5 | 148.5 | -162.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 85 | G | 40.9 | Very low | 54 | Low | 76 Ų | 76 | 112.7 Ų | 112.7 | 78% | 0.784 | 68% | 0.678 | S | S | * | * | | | | 57.9 | 82.2 | 119.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 86 | Q | 58.2 | Low | 56.2 | Low | 196 Ų | 196 | 114.9 Ų | 114.9 | 92% | 0.916 | 67% | 0.669 | S | S | * | * | | | trans | -125.6 | 126.4 | 143.8 | -70.7 | -167.7 | -2.1 | 0 | 0 | 109.8 | A88 | Q86-A88 PolarHBondContact O-N 3.17Š|
| 87 | Q | 55.4 | Low | 58.2 | Low | 196 Ų | 196 | 108.8 Ų | 108.8 | 92% | 0.916 | 64% | 0.637 | S | S | * | * | | | trans | -89.5 | 102.4 | -179.3 | -174.8 | 175.1 | 2 | 0 | 0 | 109.4 | | |
| 88 | A | 65.6 | Low | 59.8 | Low | 78 Ų | 78 | 105.7 Ų | 105.7 | 65% | 0.645 | 63% | 0.625 | S | S | * | * | | | trans | -58.9 | 137.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q86 | Q86-A88 PolarHBondContact O-N 3.17Š|
| 89 | S | 72.5 | Confident | 61.3 | Low | 75 Ų | 75 | 104.8 Ų | 104.8 | 52% | 0.524 | 61% | 0.612 | S | S | . | * | | | trans | -68.3 | 139.8 | 177.1 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | A91 D92 | S89-A91 PolarHBondContact O-N 3.29Å; S89-A91 PolarHBondContact OG-N 2.85Å; S89-D92 WeakPolarHBondContact O-CB 3.31Å; S89-D92 PolarHBondContact O-N 3.23Å |
| 90 | P | 70.1 | Confident | 63.2 | Low | 97 Ų | 97 | 105.4 Ų | 105.4 | 63% | 0.63 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.3 | -11.3 | 176.6 | 26.7 | -35.6 | 0 | 0 | 0 | 114 | D92 S93 | P90-D92 VanDerWaalsContact C-N 3.3Å; P90-S93 PolarHBondContact O-OG 2.86Å |
| 91 | A | 72.7 | Confident | 65.1 | Low | 69 Ų | 69 | 101.5 Ų | 101.5 | 57% | 0.57 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.7 | -23.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S89 M95 | S89-A91 PolarHBondContact O-N 3.29Å; S89-A91 PolarHBondContact OG-N 2.85Å; A91-M95 PolarHBondContact O-N 3.31Å |
| 92 | D | 77.3 | Confident | 66.4 | Low | 59 Ų | 59 | 100 Ų | 100 | 32% | 0.316 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -78.8 | -34.4 | -177.1 | -170.2 | 55.2 | 0 | 0 | 0 | 112.4 | S89 P90 D94 M95 R96 | S89-D92 WeakPolarHBondContact O-CB 3.31Å; S89-D92 PolarHBondContact O-N 3.23Å; P90-D92 VanDerWaalsContact C-N 3.3Å; D92-D94 PolarHBondContact O-N 3.32Å; D92-M95 PolarHBondContact O-N 3.47Å; D92-M95 WeakPolarHBondContact OD1-CE 3.4Å; D92-R96 WeakPolarHBondContact O-CB 3.33Å; D92-R96 VanDerWaalsContact O-CG 3.24Å; D92-R96 WeakPolarHBondContact O-CG 3.3Å; D92-R96 PolarHBondContact O-N 3.28Å; D92-R96 VanDerWaalsContact OD2-CD 3.3Å; D92-R96 WeakPolarHBondContact OD2-CD 3.43Å; D92-R96 IonicContact OD2-NH1 2.85Å |
| 93 | S | 76.4 | Confident | 68.2 | Low | 51 Ų | 51 | 93.2 Ų | 93.2 | 36% | 0.357 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.3 | -47.5 | 175.9 | 46.1 | 0 | 0 | 0 | 0 | 112.1 | P90 M95 R96 L97 | P90-S93 PolarHBondContact O-OG 2.86Å; S93-M95 VanDerWaalsContact C-N 3.34Å; S93-M95 PolarHBondContact O-N 3.2Å; S93-R96 PolarHBondContact O-N 3.4Å; S93-L97 PolarHBondContact O-N 3.24Å |
| 94 | D | 73.7 | Confident | 69.8 | Low | 68 Ų | 68 | 89.5 Ų | 89.5 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69 | -36.6 | -175 | -63.5 | 21.7 | 0 | 0 | 0 | 110.8 | D92 T98 | D92-D94 PolarHBondContact O-N 3.32Å; D94-T98 WeakPolarHBondContact O-CB 3.45Å; D94-T98 PolarHBondContact O-N 3.08Å; D94-T98 VanDerWaalsContact O-N 3.13Å; D94-T98 PolarHBondContact O-OG1 3.47Å |
| 95 | M | 73.8 | Confident | 71.1 | Confident | 98 Ų | 98 | 85.8 Ų | 85.8 | 48% | 0.483 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.4 | -44.9 | 172.8 | -177.6 | 173.8 | 63.1 | 0 | 0 | 111.5 | A91 D92 S93 T98 Q99 | A91-M95 PolarHBondContact O-N 3.31Å; D92-M95 PolarHBondContact O-N 3.47Å; D92-M95 WeakPolarHBondContact OD1-CE 3.4Å; S93-M95 VanDerWaalsContact C-N 3.34Å; S93-M95 PolarHBondContact O-N 3.2Å; M95-T98 WeakPolarHBondContact O-CB 3.33Å; M95-T98 PolarHBondContact O-N 3.48Å; M95-Q99 WeakPolarHBondContact O-CG 3.21Å; M95-Q99 PolarHBondContact O-N 2.98Å |
| 96 | R | 80.3 | Confident | 72.8 | Confident | 154 Ų | 154 | 91.7 Ų | 91.7 | 58% | 0.581 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.7 | -39.3 | -179.5 | -70.9 | 177.5 | 73.4 | 179.1 | 3.5 | 112.4 | D92 S93 T98 Q99 C100 | D92-R96 WeakPolarHBondContact O-CB 3.33Å; D92-R96 VanDerWaalsContact O-CG 3.24Å; D92-R96 WeakPolarHBondContact O-CG 3.3Å; D92-R96 PolarHBondContact O-N 3.28Å; D92-R96 VanDerWaalsContact OD2-CD 3.3Å; D92-R96 WeakPolarHBondContact OD2-CD 3.43Å; D92-R96 IonicContact OD2-NH1 2.85Å; S93-R96 PolarHBondContact O-N 3.4Å; R96-T98 VanDerWaalsContact C-N 3.32Å; R96-T98 PolarHBondContact O-N 3.07Å; R96-Q99 PolarHBondContact O-N 3.43Å; R96-C100 PolarHBondContact O-N 3.24Å; R96-C100 PolarHBondContact O-SG 3.19Å; R96-C100 VanDerWaalsContact O-SG 3.33Å |
| 97 | L | 75.8 | Confident | 73.5 | Confident | 35 Ų | 35 | 87.6 Ų | 87.6 | 18% | 0.183 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -57.5 | -47.6 | 169.9 | -174.7 | 89.5 | 0 | 0 | 0 | 111 | S93 Q99 C100 L101 I124 L125 H128 I132 | S93-L97 PolarHBondContact O-N 3.24Å; L97-Q99 VanDerWaalsContact C-N 3.32Å; L97-Q99 PolarHBondContact O-N 3.03Å; L97-C100 PolarHBondContact O-N 3.18Å; L97-L101 WeakPolarHBondContact O-CB 3.3Å; L97-L101 PolarHBondContact O-N 2.98Å; L97-I124 HydrophobicContact CD1-CG2 4.43Å; L97-L125 HydrophobicContact CD2-CD1 4.37Å; L97-H128 HydrophobicContact CD1-CB 3.76Å; L97-I132 HydrophobicContact CD2-CD1 4.45Å |
| 98 | T | 70.2 | Confident | 74.3 | Confident | 83 Ų | 83 | 79.4 Ų | 79.4 | 51% | 0.509 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | -179.4 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | D94 M95 R96 L101 V102 | D94-T98 WeakPolarHBondContact O-CB 3.45Å; D94-T98 PolarHBondContact O-N 3.08Å; D94-T98 VanDerWaalsContact O-N 3.13Å; D94-T98 PolarHBondContact O-OG1 3.47Å; M95-T98 WeakPolarHBondContact O-CB 3.33Å; M95-T98 PolarHBondContact O-N 3.48Å; R96-T98 VanDerWaalsContact C-N 3.32Å; R96-T98 PolarHBondContact O-N 3.07Å; T98-L101 PolarHBondContact O-N 2.87Å; T98-V102 WeakPolarHBondContact O-CB 3.41Å; T98-V102 VanDerWaalsContact O-CG2 3.3Å; T98-V102 WeakPolarHBondContact O-CG2 3.31Å; T98-V102 PolarHBondContact O-N 3.49Å |
| 99 | Q | 75.7 | Confident | 74.4 | Confident | 114 Ų | 114 | 80.4 Ų | 80.4 | 53% | 0.533 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 174.5 | -71.7 | 175.5 | 8 | 0 | 0 | 112.2 | M95 R96 L97 L101 V102 A103 | M95-Q99 WeakPolarHBondContact O-CG 3.21Å; M95-Q99 PolarHBondContact O-N 2.98Å; R96-Q99 PolarHBondContact O-N 3.43Å; L97-Q99 VanDerWaalsContact C-N 3.32Å; L97-Q99 PolarHBondContact O-N 3.03Å; Q99-L101 PolarHBondContact O-N 3.3Å; Q99-V102 PolarHBondContact O-N 3.47Å; Q99-A103 WeakPolarHBondContact O-CB 3.28Å; Q99-A103 PolarHBondContact O-N 2.89Å |
| 100 | C | 76.8 | Confident | 74 | Confident | 83 Ų | 83 | 80.8 Ų | 80.8 | 56% | 0.561 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.6 | -40.6 | 175.9 | -70.9 | 0 | 0 | 0 | 0 | 112.7 | R96 L97 A103 A104 | R96-C100 PolarHBondContact O-N 3.24Å; R96-C100 PolarHBondContact O-SG 3.19Å; R96-C100 VanDerWaalsContact O-SG 3.33Å; L97-C100 PolarHBondContact O-N 3.18Å; C100-A103 PolarHBondContact O-N 3.27Å; C100-A104 WeakPolarHBondContact O-CB 3.47Å; C100-A104 PolarHBondContact O-N 2.91Å |
| 101 | L | 76.3 | Confident | 73.6 | Confident | 56 Ų | 56 | 82.9 Ų | 82.9 | 29% | 0.293 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 176.4 | -172.7 | 71.1 | 0 | 0 | 0 | 111.4 | L97 T98 Q99 L105 L125 | L97-L101 WeakPolarHBondContact O-CB 3.3Å; L97-L101 PolarHBondContact O-N 2.98Å; T98-L101 PolarHBondContact O-N 2.87Å; Q99-L101 PolarHBondContact O-N 3.3Å; L101-L105 HydrophobicContact CD1-CD1 4.44Å; L101-L105 HydrophobicContact CG-CD1 4.02Å; L101-L105 WeakPolarHBondContact O-CB 3.49Å; L101-L105 VanDerWaalsContact O-CG 3.26Å; L101-L105 WeakPolarHBondContact O-CG 3.49Å; L101-L105 PolarHBondContact O-N 3.34Å; L101-L125 HydrophobicContact CD1-CD2 4.13Å |
| 102 | V | 74.4 | Confident | 73.6 | Confident | 90 Ų | 90 | 86.6 Ų | 86.6 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.4 | -37.2 | 176.4 | 169.4 | 0 | 0 | 0 | 0 | 111.6 | T98 Q99 R106 | T98-V102 WeakPolarHBondContact O-CB 3.41Å; T98-V102 VanDerWaalsContact O-CG2 3.3Å; T98-V102 WeakPolarHBondContact O-CG2 3.31Å; T98-V102 PolarHBondContact O-N 3.49Å; Q99-V102 PolarHBondContact O-N 3.47Å; V102-R106 WeakPolarHBondContact O-CB 3.49Å; V102-R106 PolarHBondContact O-N 3.41Å |
| 103 | A | 77.1 | Confident | 73.5 | Confident | 43 Ų | 43 | 85.2 Ų | 85.2 | 36% | 0.355 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.3 | -52.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q99 C100 L105 R106 E107 | Q99-A103 WeakPolarHBondContact O-CB 3.28Å; Q99-A103 PolarHBondContact O-N 2.89Å; C100-A103 PolarHBondContact O-N 3.27Å; A103-L105 PolarHBondContact O-N 2.94Å; A103-R106 WeakPolarHBondContact O-CA 3.3Å; A103-R106 WeakPolarHBondContact O-CB 3.25Å; A103-R106 PolarHBondContact O-N 2.67Å; A103-E107 WeakPolarHBondContact O-CG 3.16Å; A103-E107 PolarHBondContact O-N 3.32Å |
| 104 | A | 74.5 | Confident | 73.8 | Confident | 11 Ų | 11 | 87.2 Ų | 87.2 | 9% | 0.091 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | C100 R106 E107 E108 A121 | C100-A104 WeakPolarHBondContact O-CB 3.47Å; C100-A104 PolarHBondContact O-N 2.91Å; A104-R106 VanDerWaalsContact C-N 3.28Å; A104-R106 PolarHBondContact O-N 3.07Å; A104-E107 PolarHBondContact O-N 3.5Å; A104-E108 WeakPolarHBondContact O-CB 3.32Å; A104-E108 WeakPolarHBondContact O-CG 3.49Å; A104-E108 PolarHBondContact O-N 2.84Å; A104-A121 HydrophobicContact CB-CB 3.51Å |
| 105 | L | 76.1 | Confident | 73.9 | Confident | 70 Ų | 70 | 87.6 Ų | 87.6 | 37% | 0.366 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.7 | -24.9 | 174.8 | -71.9 | 173.4 | 0 | 0 | 0 | 113.2 | L101 A103 S109 L160 | L101-L105 HydrophobicContact CD1-CD1 4.44Å; L101-L105 HydrophobicContact CG-CD1 4.02Å; L101-L105 WeakPolarHBondContact O-CB 3.49Å; L101-L105 VanDerWaalsContact O-CG 3.26Å; L101-L105 WeakPolarHBondContact O-CG 3.49Å; L101-L105 PolarHBondContact O-N 3.34Å; A103-L105 PolarHBondContact O-N 2.94Å; L105-S109 VanDerWaalsContact O-CB 3.28Å; L105-S109 WeakPolarHBondContact O-CB 3.35Å; L105-S109 PolarHBondContact O-N 3.39Å; L105-L160 HydrophobicContact CD2-CD2 3.97Å |
| 106 | R | 75.8 | Confident | 74.6 | Confident | 199 Ų | 199 | 85 Ų | 85 | 75% | 0.751 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -78.3 | -40 | 173.8 | -176.2 | -178.1 | -177.8 | -164 | -0 | 111.4 | V102 A103 A104 S109 C110 | V102-R106 WeakPolarHBondContact O-CB 3.49Å; V102-R106 PolarHBondContact O-N 3.41Å; A103-R106 WeakPolarHBondContact O-CA 3.3Å; A103-R106 WeakPolarHBondContact O-CB 3.25Å; A103-R106 PolarHBondContact O-N 2.67Å; A104-R106 VanDerWaalsContact C-N 3.28Å; A104-R106 PolarHBondContact O-N 3.07Å; R106-S109 WeakPolarHBondContact O-CB 3.49Å; R106-S109 PolarHBondContact O-N 3.38Å; R106-C110 PolarHBondContact O-N 3.28Å |
| 107 | E | 73.9 | Confident | 74.9 | Confident | 110 Ų | 110 | 79.3 Ų | 79.3 | 51% | 0.514 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.3 | -48.8 | 174.8 | -72.6 | 171.5 | -173 | 0 | 0 | 111 | A103 A104 S109 C110 | A103-E107 WeakPolarHBondContact O-CG 3.16Å; A103-E107 PolarHBondContact O-N 3.32Å; A104-E107 PolarHBondContact O-N 3.5Å; E107-S109 PolarHBondContact O-N 3.13Å; E107-C110 WeakPolarHBondContact O-CA 3.29Å; E107-C110 VanDerWaalsContact O-CB 3.31Å; E107-C110 WeakPolarHBondContact O-CB 3.27Å; E107-C110 PolarHBondContact O-N 3.2Å |
| 108 | E | 71.3 | Confident | 75.3 | Confident | 24 Ų | 24 | 78.7 Ų | 78.7 | 11% | 0.112 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -6.8 | 174.5 | -68.4 | -81.7 | 165.9 | 0 | 0 | 113.8 | A104 A113 T117 L118 L163 | A104-E108 WeakPolarHBondContact O-CB 3.32Å; A104-E108 WeakPolarHBondContact O-CG 3.49Å; A104-E108 PolarHBondContact O-N 2.84Å; E108-A113 HydrophobicContact CG-CB 4.31Å; E108-T117 WeakPolarHBondContact OE1-CB 3.31Å; E108-L118 HydrophobicContact CG-CB 3.94Å; E108-L118 HydrophobicContact CG-CD1 4.32Å; E108-L118 PolarHBondContact OE1-N 3.4Å; E108-L163 HydrophobicContact CB-CD2 4.06Å |
| 109 | S | 67.7 | Low | 75.8 | Confident | 100 Ų | 100 | 79.6 Ų | 79.6 | 70% | 0.699 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -8.7 | 166.8 | -174.7 | 0 | 0 | 0 | 0 | 112.8 | L105 R106 E107 | L105-S109 VanDerWaalsContact O-CB 3.28Å; L105-S109 WeakPolarHBondContact O-CB 3.35Å; L105-S109 PolarHBondContact O-N 3.39Å; R106-S109 WeakPolarHBondContact O-CB 3.49Å; R106-S109 PolarHBondContact O-N 3.38Å; E107-S109 PolarHBondContact O-N 3.13Å |
| 110 | C | 64.2 | Low | 76.3 | Confident | 83 Ų | 83 | 80.2 Ų | 80.2 | 56% | 0.561 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -89.6 | 149.7 | 166 | -65.4 | 0 | 0 | 0 | 0 | 109.4 | R106 E107 D112 | R106-C110 PolarHBondContact O-N 3.28Å; E107-C110 WeakPolarHBondContact O-CA 3.29Å; E107-C110 VanDerWaalsContact O-CB 3.31Å; E107-C110 WeakPolarHBondContact O-CB 3.27Å; E107-C110 PolarHBondContact O-N 3.2Å; C110-D112 PolarHBondContact O-N 3.41Å |
| 111 | V | 60.8 | Low | 76.7 | Confident | 141 Ų | 141 | 77.1 Ų | 77.1 | 86% | 0.855 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -21.2 | -167.4 | 178.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 112 | D | 72.7 | Confident | 77.4 | Confident | 147 Ų | 147 | 77.2 Ų | 77.2 | 79% | 0.786 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | 14.6 | -165.5 | -50.1 | -74.2 | 0 | 0 | 0 | 114.4 | C110 | C110-D112 PolarHBondContact O-N 3.41Š|
| 113 | A | 76.7 | Confident | 77.8 | Confident | 29 Ų | 29 | 76.1 Ų | 76.1 | 24% | 0.24 | 44% | 0.444 | C | S | . | . | | | trans | -63.1 | 131.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E108 A115 | E108-A113 HydrophobicContact CG-CB 4.31Å; A113-A115 PolarHBondContact O-N 3.04Å |
| 114 | P | 82.4 | Confident | 78.4 | Confident | 93 Ų | 93 | 77.8 Ų | 77.8 | 60% | 0.604 | 45% | 0.446 | S | S | * | . | | | trans | -70.4 | 126.3 | 175.5 | 28.4 | -32 | 0 | 0 | 0 | 109.1 | G116 T117 | P114-G116 PolarHBondContact O-N 2.95Å; P114-T117 PolarHBondContact O-N 2.98Å; P114-T117 PolarHBondContact O-OG1 2.77Å |
| 115 | A | 75.6 | Confident | 79.1 | Confident | 77 Ų | 77 | 78.5 Ų | 78.5 | 64% | 0.636 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | A113 | A113-A115 PolarHBondContact O-N 3.04Š|
| 116 | G | 88.4 | Confident | 79.5 | Confident | 44 Ų | 44 | 77.2 Ų | 77.2 | 45% | 0.454 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -27 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P114 L119 Q120 | P114-G116 PolarHBondContact O-N 2.95Å; G116-L119 PolarHBondContact O-N 3.49Å; G116-L119 VanDerWaalsContact O-N 3.15Å; G116-Q120 WeakPolarHBondContact O-CB 3.45Å; G116-Q120 PolarHBondContact O-N 2.96Å |
| 117 | T | 85.7 | Confident | 79.9 | Confident | 33 Ų | 33 | 74.1 Ų | 74.1 | 20% | 0.202 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -66.1 | -45.6 | -170.9 | -47.6 | 0 | 0 | 0 | 0 | 111.9 | E108 P114 L119 Q120 A121 | E108-T117 WeakPolarHBondContact OE1-CB 3.31Å; P114-T117 PolarHBondContact O-N 2.98Å; P114-T117 PolarHBondContact O-OG1 2.77Å; T117-L119 VanDerWaalsContact C-N 3.33Å; T117-L119 PolarHBondContact O-N 3.01Å; T117-Q120 PolarHBondContact O-N 3.2Å; T117-A121 WeakPolarHBondContact O-CB 3.38Å; T117-A121 PolarHBondContact O-N 3.29Å |
| 118 | L | 85.9 | Confident | 80.5 | Confident | 22 Ų | 22 | 70.4 Ų | 70.4 | 12% | 0.115 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -58 | -44.9 | 171.3 | -172.4 | 78.4 | 0 | 0 | 0 | 111.7 | E108 Q120 A121 L122 L163 | E108-L118 HydrophobicContact CG-CB 3.94Å; E108-L118 HydrophobicContact CG-CD1 4.32Å; E108-L118 PolarHBondContact OE1-N 3.4Å; L118-Q120 VanDerWaalsContact C-N 3.33Å; L118-Q120 PolarHBondContact O-N 2.85Å; L118-A121 PolarHBondContact O-N 2.87Å; L118-L122 HydrophobicContact CD2-CD1 4.03Å; L118-L122 HydrophobicContact CG-CD1 3.85Å; L118-L122 HydrophobicContact CG-CG 4.23Å; L118-L122 WeakPolarHBondContact O-CB 3.32Å; L118-L122 VanDerWaalsContact O-CG 3.28Å; L118-L122 WeakPolarHBondContact O-CG 3.47Å; L118-L122 PolarHBondContact O-N 3.26Å; L118-L163 HydrophobicContact CD1-CD2 3.78Å; L118-L163 HydrophobicContact CD2-CD2 3.64Å; L118-L163 HydrophobicContact CD2-CG 3.87Å; L118-L163 HydrophobicContact CG-CD2 4.17Å |
| 119 | L | 79.9 | Confident | 81.3 | Confident | 103 Ų | 103 | 71.7 Ų | 71.7 | 54% | 0.539 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.3 | -38.5 | -176.9 | -175.1 | 61.5 | 0 | 0 | 0 | 111.1 | G116 T117 T123 | G116-L119 PolarHBondContact O-N 3.49Å; G116-L119 VanDerWaalsContact O-N 3.15Å; T117-L119 VanDerWaalsContact C-N 3.33Å; T117-L119 PolarHBondContact O-N 3.01Å; L119-T123 WeakPolarHBondContact O-CB 3.47Å; L119-T123 PolarHBondContact O-N 2.99Å; L119-T123 PolarHBondContact O-OG1 3.46Å |
| 120 | Q | 86.3 | Confident | 82 | Confident | 127 Ų | 127 | 69.4 Ų | 69.4 | 59% | 0.593 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.3 | -46.6 | 172.6 | -175.5 | 173.3 | -2.2 | 0 | 0 | 111.2 | G116 T117 L118 L122 T123 I124 | G116-Q120 WeakPolarHBondContact O-CB 3.45Å; G116-Q120 PolarHBondContact O-N 2.96Å; T117-Q120 PolarHBondContact O-N 3.2Å; L118-Q120 VanDerWaalsContact C-N 3.33Å; L118-Q120 PolarHBondContact O-N 2.85Å; Q120-L122 PolarHBondContact O-N 3.34Å; Q120-T123 WeakPolarHBondContact O-CB 3.49Å; Q120-T123 PolarHBondContact O-N 3.4Å; Q120-T123 VanDerWaalsContact O-N 3.15Å; Q120-I124 HydrophobicContact CG-CD1 3.98Å; Q120-I124 WeakPolarHBondContact O-CG1 3.33Å; Q120-I124 PolarHBondContact O-N 3.5Å |
| 121 | A | 86 | Confident | 83 | Confident | 17 Ų | 17 | 69.1 Ų | 69.1 | 14% | 0.14 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A104 T117 L118 T123 L125 | A104-A121 HydrophobicContact CB-CB 3.51Å; T117-A121 WeakPolarHBondContact O-CB 3.38Å; T117-A121 PolarHBondContact O-N 3.29Å; L118-A121 PolarHBondContact O-N 2.87Å; A121-T123 VanDerWaalsContact C-N 3.34Å; A121-L125 VanDerWaalsContact O-CB 3.23Å; A121-L125 WeakPolarHBondContact O-CB 3.46Å; A121-L125 PolarHBondContact O-N 3.44Å |
| 122 | L | 90 | Very high | 84.1 | Confident | 59 Ų | 59 | 64.3 Ų | 64.3 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.7 | -33.9 | 173.1 | -72.8 | 173.5 | 0 | 0 | 0 | 112.2 | L118 Q120 L125 A126 | L118-L122 HydrophobicContact CD2-CD1 4.03Å; L118-L122 HydrophobicContact CG-CD1 3.85Å; L118-L122 HydrophobicContact CG-CG 4.23Å; L118-L122 WeakPolarHBondContact O-CB 3.32Å; L118-L122 VanDerWaalsContact O-CG 3.28Å; L118-L122 WeakPolarHBondContact O-CG 3.47Å; L118-L122 PolarHBondContact O-N 3.26Å; Q120-L122 PolarHBondContact O-N 3.34Å; L122-L125 HydrophobicContact CD2-CD2 4.49Å; L122-A126 VanDerWaalsContact O-CB 3.3Å; L122-A126 WeakPolarHBondContact O-CB 3.41Å; L122-A126 PolarHBondContact O-N 2.75Å |
| 123 | T | 83.4 | Confident | 84.7 | Confident | 66 Ų | 66 | 58 Ų | 58 | 41% | 0.405 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -69.8 | -45.5 | 175.7 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | L119 Q120 A121 A126 Q127 | L119-T123 WeakPolarHBondContact O-CB 3.47Å; L119-T123 PolarHBondContact O-N 2.99Å; L119-T123 PolarHBondContact O-OG1 3.46Å; Q120-T123 WeakPolarHBondContact O-CB 3.49Å; Q120-T123 PolarHBondContact O-N 3.4Å; Q120-T123 VanDerWaalsContact O-N 3.15Å; A121-T123 VanDerWaalsContact C-N 3.34Å; T123-A126 PolarHBondContact O-N 3.13Å; T123-Q127 WeakPolarHBondContact O-CG 3.26Å; T123-Q127 PolarHBondContact O-N 3.23Å |
| 124 | I | 88.3 | Confident | 84.8 | Confident | 78 Ų | 78 | 63.9 Ų | 63.9 | 40% | 0.4 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 173.8 | -68.1 | 163.8 | 0 | 0 | 0 | 110.1 | L97 Q120 A126 Q127 H128 | L97-I124 HydrophobicContact CD1-CG2 4.43Å; Q120-I124 HydrophobicContact CG-CD1 3.98Å; Q120-I124 WeakPolarHBondContact O-CG1 3.33Å; Q120-I124 PolarHBondContact O-N 3.5Å; I124-A126 PolarHBondContact O-N 3.46Å; I124-Q127 PolarHBondContact O-N 3.21Å; I124-H128 PolarHBondContact O-N 2.92Å |
| 125 | L | 90.1 | Very high | 85 | Confident | 26 Ų | 26 | 68.2 Ų | 68.2 | 14% | 0.136 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -56.3 | -50 | 175.3 | 179.7 | 63.4 | 0 | 0 | 0 | 110.4 | L97 L101 A121 L122 Q127 H128 W129 | L97-L125 HydrophobicContact CD2-CD1 4.37Å; L101-L125 HydrophobicContact CD1-CD2 4.13Å; A121-L125 VanDerWaalsContact O-CB 3.23Å; A121-L125 WeakPolarHBondContact O-CB 3.46Å; A121-L125 PolarHBondContact O-N 3.44Å; L122-L125 HydrophobicContact CD2-CD2 4.49Å; L125-Q127 PolarHBondContact O-N 3.49Å; L125-H128 PolarHBondContact O-N 3.47Å; L125-W129 VanDerWaalsContact O-CB 3.25Å; L125-W129 WeakPolarHBondContact O-CB 3.49Å; L125-W129 PolarHBondContact O-N 2.97Å |
| 126 | A | 83.8 | Confident | 85.3 | Confident | 44 Ų | 44 | 70.9 Ų | 70.9 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.2 | -40.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L122 T123 I124 W129 A130 | L122-A126 VanDerWaalsContact O-CB 3.3Å; L122-A126 WeakPolarHBondContact O-CB 3.41Å; L122-A126 PolarHBondContact O-N 2.75Å; T123-A126 PolarHBondContact O-N 3.13Å; I124-A126 PolarHBondContact O-N 3.46Å; A126-W129 PolarHBondContact O-N 3.44Å; A126-A130 PolarHBondContact O-N 2.85Å; A126-A130 VanDerWaalsContact O-N 3.15Å |
| 127 | Q | 84.8 | Confident | 85.1 | Confident | 133 Ų | 133 | 72.2 Ų | 72.2 | 62% | 0.621 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.8 | -50.1 | 175.5 | -75 | 174.6 | -5.4 | 0 | 0 | 111.3 | T123 I124 L125 W129 A130 E131 | T123-Q127 WeakPolarHBondContact O-CG 3.26Å; T123-Q127 PolarHBondContact O-N 3.23Å; I124-Q127 PolarHBondContact O-N 3.21Å; L125-Q127 PolarHBondContact O-N 3.49Å; Q127-W129 VanDerWaalsContact C-N 3.34Å; Q127-A130 WeakPolarHBondContact O-CB 3.33Å; Q127-A130 PolarHBondContact O-N 3.43Å; Q127-E131 PolarHBondContact O-N 3.37Å |
| 128 | H | 87.5 | Confident | 84.9 | Confident | 33 Ų | 33 | 83.1 Ų | 83.1 | 15% | 0.153 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -75.5 | -24.4 | -179.8 | -162.4 | 69.9 | 0 | 0 | 0 | 112.5 | L97 I124 L125 A130 E131 I132 | L97-H128 HydrophobicContact CD1-CB 3.76Å; I124-H128 PolarHBondContact O-N 2.92Å; L125-H128 PolarHBondContact O-N 3.47Å; H128-A130 VanDerWaalsContact C-N 3.32Å; H128-A130 PolarHBondContact O-N 3.42Å; H128-E131 IonicContact CE1-OE2 2.68Å; H128-E131 PolarHBondContact CE1-OE2 3.34Å; H128-E131 IonicContact ND1-OE2 3.11Å; H128-E131 PolarHBondContact ND1-OE2 3.39Å; H128-E131 VanDerWaalsContact ND1-OE2 3.11Å; H128-E131 PolarHBondContact O-N 2.91Å; H128-E131 VanDerWaalsContact O-N 3.16Å; H128-I132 VanDerWaalsContact CD2-CD1 3.46Å; H128-I132 WeakPolarHBondContact CD2-CD1 3.4Å; H128-I132 WeakPolarHBondContact O-CG1 3.37Å; H128-I132 PolarHBondContact O-N 2.96Å |
| 129 | W | 87.8 | Confident | 85.1 | Confident | 50 Ų | 50 | 84.4 Ų | 84.4 | 19% | 0.189 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 169.8 | -134.5 | 84.7 | 0 | 0 | 0 | 111 | L125 A126 Q127 E131 T133 A143 C146 F147 | L125-W129 VanDerWaalsContact O-CB 3.25Å; L125-W129 WeakPolarHBondContact O-CB 3.49Å; L125-W129 PolarHBondContact O-N 2.97Å; A126-W129 PolarHBondContact O-N 3.44Å; Q127-W129 VanDerWaalsContact C-N 3.34Å; W129-E131 VanDerWaalsContact C-N 3.31Å; W129-E131 PolarHBondContact O-N 2.87Å; W129-T133 HydrophobicContact CZ3-CG2 4.23Å; W129-T133 WeakPolarHBondContact CZ3-OG1 3.43Å; W129-T133 WeakPolarHBondContact O-CB 3.48Å; W129-T133 PolarHBondContact O-N 2.87Å; W129-T133 PolarHBondContact O-OG1 2.77Å; W129-A143 WeakPolarHBondContact CZ3-O 3.35Å; W129-C146 HydrophobicContact CH2-CB 3.47Å; W129-C146 VanDerWaalsContact CH2-CB 3.47Å; W129-C146 HydrophobicContact CZ2-CB 4.18Å; W129-C146 HydrophobicContact CZ3-CB 4.38Å; W129-F147 HydrophobicContact CD2-CD2 4.3Å; W129-F147 HydrophobicContact CE3-CB 3.87Å; W129-F147 HydrophobicContact CE3-CD2 4.06Å; W129-F147 HydrophobicContact CE3-CG 4.46Å; W129-F147 HydrophobicContact CH2-CB 4.44Å; W129-F147 HydrophobicContact CZ3-CB 3.75Å |
| 130 | A | 81.3 | Confident | 85.5 | Confident | 52 Ų | 52 | 84.5 Ų | 84.5 | 43% | 0.43 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A126 Q127 H128 T133 L134 | A126-A130 PolarHBondContact O-N 2.85Å; A126-A130 VanDerWaalsContact O-N 3.15Å; Q127-A130 WeakPolarHBondContact O-CB 3.33Å; Q127-A130 PolarHBondContact O-N 3.43Å; H128-A130 VanDerWaalsContact C-N 3.32Å; H128-A130 PolarHBondContact O-N 3.42Å; A130-T133 PolarHBondContact O-N 2.91Å; A130-L134 WeakPolarHBondContact O-CB 3.36Å; A130-L134 VanDerWaalsContact O-CG 3.26Å; A130-L134 WeakPolarHBondContact O-CG 3.37Å; A130-L134 PolarHBondContact O-N 3.35Å |
| 131 | E | 85 | Confident | 85.6 | Confident | 77 Ų | 77 | 81.7 Ų | 81.7 | 36% | 0.36 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67 | -53.1 | 178.6 | -162.1 | -165 | 161.8 | 0 | 0 | 113 | Q127 H128 W129 T133 L134 R135 | Q127-E131 PolarHBondContact O-N 3.37Å; H128-E131 IonicContact CE1-OE2 2.68Å; H128-E131 PolarHBondContact CE1-OE2 3.34Å; H128-E131 IonicContact ND1-OE2 3.11Å; H128-E131 PolarHBondContact ND1-OE2 3.39Å; H128-E131 VanDerWaalsContact ND1-OE2 3.11Å; H128-E131 PolarHBondContact O-N 2.91Å; H128-E131 VanDerWaalsContact O-N 3.16Å; W129-E131 VanDerWaalsContact C-N 3.31Å; W129-E131 PolarHBondContact O-N 2.87Å; E131-T133 PolarHBondContact O-N 3.49Å; E131-L134 PolarHBondContact O-N 2.94Å; E131-R135 WeakPolarHBondContact O-CG 3.3Å; E131-R135 PolarHBondContact O-N 3.17Å; E131-R135 IonicContact OE1-CZ 3.92Å; E131-R135 IonicContact OE1-NE 3.18Å; E131-R135 PolarHBondContact OE1-NE 3.03Å; E131-R135 IonicContact OE1-NH2 3.96Å; E131-R135 PolarHBondContact OE1-NH2 3.5Å |
| 132 | I | 85.4 | Confident | 85.7 | Confident | 41 Ų | 41 | 83.8 Ų | 83.8 | 21% | 0.21 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -53.3 | -42.4 | 175.2 | -70.7 | 172.2 | 0 | 0 | 0 | 110 | L97 H128 R135 Q136 | L97-I132 HydrophobicContact CD2-CD1 4.45Å; H128-I132 VanDerWaalsContact CD2-CD1 3.46Å; H128-I132 WeakPolarHBondContact CD2-CD1 3.4Å; H128-I132 WeakPolarHBondContact O-CG1 3.37Å; H128-I132 PolarHBondContact O-N 2.96Å; I132-R135 PolarHBondContact O-N 3.4Å; I132-Q136 HydrophobicContact CG2-CG 4.45Å; I132-Q136 WeakPolarHBondContact O-CB 3.49Å; I132-Q136 PolarHBondContact O-N 2.94Å |
| 133 | T | 84.3 | Confident | 85.6 | Confident | 13 Ų | 13 | 81.6 Ų | 81.6 | 8% | 0.08 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -69.6 | -42.3 | -176.4 | -66.5 | 0 | 0 | 0 | 0 | 112.8 | W129 A130 E131 R135 Q136 H137 A143 | W129-T133 HydrophobicContact CZ3-CG2 4.23Å; W129-T133 WeakPolarHBondContact CZ3-OG1 3.43Å; W129-T133 WeakPolarHBondContact O-CB 3.48Å; W129-T133 PolarHBondContact O-N 2.87Å; W129-T133 PolarHBondContact O-OG1 2.77Å; A130-T133 PolarHBondContact O-N 2.91Å; E131-T133 PolarHBondContact O-N 3.49Å; T133-R135 VanDerWaalsContact C-N 3.26Å; T133-R135 PolarHBondContact O-N 3.48Å; T133-Q136 PolarHBondContact O-N 3.39Å; T133-H137 PolarHBondContact O-N 2.9Å; T133-A143 HydrophobicContact CG2-CB 3.07Å |
| 134 | L | 78.8 | Confident | 85.9 | Confident | 153 Ų | 153 | 84 Ų | 84 | 80% | 0.801 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -64.1 | -31.6 | 172.1 | -73.7 | 167.2 | 0 | 0 | 0 | 112 | A130 E131 | A130-L134 WeakPolarHBondContact O-CB 3.36Å; A130-L134 VanDerWaalsContact O-CG 3.26Å; A130-L134 WeakPolarHBondContact O-CG 3.37Å; A130-L134 PolarHBondContact O-N 3.35Å; E131-L134 PolarHBondContact O-N 2.94Å |
| 135 | R | 86.5 | Confident | 86 | Confident | 184 Ų | 184 | 86.1 Ų | 86.1 | 69% | 0.694 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -75.1 | -42.3 | 176.3 | -70.7 | 171 | 178.3 | -94.3 | 7.9 | 113.1 | E131 I132 T133 | E131-R135 WeakPolarHBondContact O-CG 3.3Å; E131-R135 PolarHBondContact O-N 3.17Å; E131-R135 IonicContact OE1-CZ 3.92Å; E131-R135 IonicContact OE1-NE 3.18Å; E131-R135 PolarHBondContact OE1-NE 3.03Å; E131-R135 IonicContact OE1-NH2 3.96Å; E131-R135 PolarHBondContact OE1-NH2 3.5Å; I132-R135 PolarHBondContact O-N 3.4Å; T133-R135 VanDerWaalsContact C-N 3.26Å; T133-R135 PolarHBondContact O-N 3.48Å |
| 136 | Q | 82.2 | Confident | 86.1 | Confident | 133 Ų | 133 | 87 Ų | 87 | 62% | 0.621 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -99 | -31 | -171.2 | -62.8 | -160 | 20.3 | 0 | 0 | 115 | I132 T133 | I132-Q136 HydrophobicContact CG2-CG 4.45Å; I132-Q136 WeakPolarHBondContact O-CB 3.49Å; I132-Q136 PolarHBondContact O-N 2.94Å; T133-Q136 PolarHBondContact O-N 3.39Å |
| 137 | H | 83.5 | Confident | 86.4 | Confident | 72 Ų | 72 | 88.7 Ų | 88.7 | 33% | 0.333 | 45% | 0.449 | S | S | . | . | | | trans | -108.7 | 104.7 | -173.6 | -67 | -59.1 | 0 | 0 | 0 | 112.9 | T133 S139 | T133-H137 PolarHBondContact O-N 2.9Å; H137-S139 PolarHBondContact O-N 3.36Å |
| 138 | R | 82.1 | Confident | 86.6 | Confident | 262 Ų | 262 | 85.9 Ų | 85.9 | 99% | 0.989 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -62.5 | 4.5 | 169.4 | -69.3 | -172.7 | 176.5 | -175.6 | -0.9 | 115 | | |
| 139 | S | 91 | Very high | 86.9 | Confident | 49 Ų | 49 | 92.4 Ų | 92.4 | 34% | 0.343 | 46% | 0.462 | S | S | . | . | | | trans | -135.3 | 117.4 | -179.9 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | H137 A141 V142 A143 | H137-S139 PolarHBondContact O-N 3.36Å; S139-A141 PolarHBondContact O-N 3.4Å; S139-A141 VanDerWaalsContact O-N 3.17Å; S139-A141 PolarHBondContact OG-N 3.25Å; S139-V142 PolarHBondContact O-N 3.22Å; S139-A143 PolarHBondContact O-N 3.46Å |
| 140 | P | 87.3 | Confident | 87 | Confident | 105 Ų | 105 | 92.2 Ų | 92.2 | 68% | 0.682 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -67.8 | -10.6 | 176.8 | 28.4 | -34.6 | 0 | 0 | 0 | 113.3 | A143 M144 | P140-A143 WeakPolarHBondContact O-CB 3.24Å; P140-M144 WeakPolarHBondContact O-CG 3.39Å; P140-M144 PolarHBondContact O-N 3.2Å |
| 141 | A | 88.2 | Confident | 87.3 | Confident | 69 Ų | 69 | 92.6 Ų | 92.6 | 57% | 0.57 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -74.6 | -41.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S139 M144 L145 | S139-A141 PolarHBondContact O-N 3.4Å; S139-A141 VanDerWaalsContact O-N 3.17Å; S139-A141 PolarHBondContact OG-N 3.25Å; A141-M144 PolarHBondContact O-N 2.94Å; A141-L145 WeakPolarHBondContact O-CB 3.49Å; A141-L145 PolarHBondContact O-N 2.98Å |
| 142 | V | 89.1 | Confident | 87.7 | Confident | 60 Ų | 60 | 97.9 Ų | 97.9 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.4 | -43.5 | 177.5 | -178.6 | 0 | 0 | 0 | 0 | 110 | S139 M144 L145 C146 | S139-V142 PolarHBondContact O-N 3.22Å; V142-M144 PolarHBondContact O-N 3.49Å; V142-L145 PolarHBondContact O-N 2.82Å; V142-C146 WeakPolarHBondContact O-CB 3.47Å; V142-C146 PolarHBondContact O-N 3.08Å; V142-C146 PolarHBondContact O-SG 3.01Å |
| 143 | A | 87.5 | Confident | 87.9 | Confident | 14 Ų | 14 | 101.5 Ų | 101.5 | 12% | 0.116 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -44.1 | -60.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | W129 T133 S139 P140 L145 C146 F147 | W129-A143 WeakPolarHBondContact CZ3-O 3.35Å; T133-A143 HydrophobicContact CG2-CB 3.07Å; S139-A143 PolarHBondContact O-N 3.46Å; P140-A143 WeakPolarHBondContact O-CB 3.24Å; A143-L145 VanDerWaalsContact C-N 3.34Å; A143-L145 PolarHBondContact O-N 3.01Å; A143-C146 PolarHBondContact O-N 3Å; A143-F147 PolarHBondContact O-N 3.46Å |
| 144 | M | 88.6 | Confident | 88.2 | Confident | 116 Ų | 116 | 103.1 Ų | 103.1 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.8 | -34.7 | -177.7 | -74 | -63.2 | -68.2 | 0 | 0 | 112.9 | P140 A141 V142 N148 | P140-M144 WeakPolarHBondContact O-CG 3.39Å; P140-M144 PolarHBondContact O-N 3.2Å; A141-M144 PolarHBondContact O-N 2.94Å; V142-M144 PolarHBondContact O-N 3.49Å; M144-N148 WeakPolarHBondContact O-CB 3.46Å; M144-N148 PolarHBondContact O-N 3.43Å; M144-N148 PolarHBondContact O-ND2 3.33Å |
| 145 | L | 91.9 | Very high | 88.7 | Confident | 122 Ų | 122 | 98.9 Ų | 98.9 | 64% | 0.639 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.8 | -48.2 | 176.7 | -179.1 | 63.7 | 0 | 0 | 0 | 111.4 | A141 V142 A143 N148 Y149 | A141-L145 WeakPolarHBondContact O-CB 3.49Å; A141-L145 PolarHBondContact O-N 2.98Å; V142-L145 PolarHBondContact O-N 2.82Å; A143-L145 VanDerWaalsContact C-N 3.34Å; A143-L145 PolarHBondContact O-N 3.01Å; L145-N148 PolarHBondContact O-N 2.97Å; L145-Y149 WeakPolarHBondContact O-CB 3.05Å; L145-Y149 PolarHBondContact O-N 3.39Å |
| 146 | C | 91.3 | Very high | 88.9 | Confident | 45 Ų | 45 | 93.9 Ų | 93.9 | 30% | 0.304 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.7 | -39.1 | -179.7 | -69.7 | 0 | 0 | 0 | 0 | 112 | W129 V142 A143 N148 Y149 T150 | W129-C146 HydrophobicContact CH2-CB 3.47Å; W129-C146 VanDerWaalsContact CH2-CB 3.47Å; W129-C146 HydrophobicContact CZ2-CB 4.18Å; W129-C146 HydrophobicContact CZ3-CB 4.38Å; V142-C146 WeakPolarHBondContact O-CB 3.47Å; V142-C146 PolarHBondContact O-N 3.08Å; V142-C146 PolarHBondContact O-SG 3.01Å; A143-C146 PolarHBondContact O-N 3Å; C146-N148 PolarHBondContact O-N 3.24Å; C146-Y149 WeakPolarHBondContact O-CB 3.45Å; C146-Y149 PolarHBondContact O-N 3.12Å; C146-T150 PolarHBondContact O-N 2.96Å; C146-T150 PolarHBondContact O-OG1 2.91Å |
| 147 | F | 89.7 | Confident | 89.4 | Confident | 80 Ų | 80 | 89.8 Ų | 89.8 | 35% | 0.351 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.4 | -48 | 170.9 | 177.2 | -99.9 | 0 | 0 | 0 | 111.9 | W129 A143 Y149 T150 V151 | W129-F147 HydrophobicContact CD2-CD2 4.3Å; W129-F147 HydrophobicContact CE3-CB 3.87Å; W129-F147 HydrophobicContact CE3-CD2 4.06Å; W129-F147 HydrophobicContact CE3-CG 4.46Å; W129-F147 HydrophobicContact CH2-CB 4.44Å; W129-F147 HydrophobicContact CZ3-CB 3.75Å; A143-F147 PolarHBondContact O-N 3.46Å; F147-Y149 VanDerWaalsContact C-N 3.3Å; F147-Y149 PolarHBondContact O-N 3.45Å; F147-T150 PolarHBondContact O-N 2.96Å; F147-V151 HydrophobicContact CD1-CG2 4.34Å; F147-V151 HydrophobicContact CD2-CG2 4.4Å; F147-V151 HydrophobicContact CE1-CG2 3.9Å; F147-V151 HydrophobicContact CE2-CG2 3.97Å; F147-V151 HydrophobicContact CZ-CG2 3.7Å; F147-V151 WeakPolarHBondContact O-CG2 2.99Å; F147-V151 PolarHBondContact O-N 3.49Å |
| 148 | N | 90.2 | Very high | 89.6 | Confident | 74 Ų | 74 | 90.7 Ų | 90.7 | 40% | 0.396 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.2 | -38.9 | 176.4 | -88.5 | -87.5 | 0 | 0 | 0 | 112 | M144 L145 C146 R152 | M144-N148 WeakPolarHBondContact O-CB 3.46Å; M144-N148 PolarHBondContact O-N 3.43Å; M144-N148 PolarHBondContact O-ND2 3.33Å; L145-N148 PolarHBondContact O-N 2.97Å; C146-N148 PolarHBondContact O-N 3.24Å; N148-R152 VanDerWaalsContact O-CB 3.31Å; N148-R152 WeakPolarHBondContact O-CB 3.33Å; N148-R152 WeakPolarHBondContact O-CG 3.28Å; N148-R152 PolarHBondContact O-N 3.5Å |
| 149 | Y | 92.2 | Very high | 89.8 | Confident | 170 Ų | 170 | 83.3 Ų | 83.3 | 67% | 0.667 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63 | -48 | 175.3 | -175.1 | -92.9 | 0 | 0 | 0 | 111.4 | L145 C146 F147 R152 F153 | L145-Y149 WeakPolarHBondContact O-CB 3.05Å; L145-Y149 PolarHBondContact O-N 3.39Å; C146-Y149 WeakPolarHBondContact O-CB 3.45Å; C146-Y149 PolarHBondContact O-N 3.12Å; F147-Y149 VanDerWaalsContact C-N 3.3Å; F147-Y149 PolarHBondContact O-N 3.45Å; Y149-R152 PolarHBondContact O-N 2.96Å; Y149-F153 WeakPolarHBondContact O-CB 3.25Å; Y149-F153 PolarHBondContact O-N 3.02Å |
| 150 | T | 90.5 | Very high | 89.8 | Confident | 45 Ų | 45 | 82.7 Ų | 82.7 | 28% | 0.276 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.2 | -47 | 177.3 | -61.9 | 0 | 0 | 0 | 0 | 112 | C146 F147 R152 F153 L154 | C146-T150 PolarHBondContact O-N 2.96Å; C146-T150 PolarHBondContact O-OG1 2.91Å; F147-T150 PolarHBondContact O-N 2.96Å; T150-R152 PolarHBondContact O-N 3.25Å; T150-F153 PolarHBondContact O-N 3.49Å; T150-L154 HydrophobicContact CG2-CD1 4.08Å; T150-L154 VanDerWaalsContact O-CG 3.3Å; T150-L154 WeakPolarHBondContact O-CG 3.23Å; T150-L154 PolarHBondContact O-N 2.9Å |
| 151 | V | 88.8 | Confident | 89.6 | Confident | 61 Ų | 61 | 79.4 Ų | 79.4 | 37% | 0.37 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 178 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | F147 L154 V155 | F147-V151 HydrophobicContact CD1-CG2 4.34Å; F147-V151 HydrophobicContact CD2-CG2 4.4Å; F147-V151 HydrophobicContact CE1-CG2 3.9Å; F147-V151 HydrophobicContact CE2-CG2 3.97Å; F147-V151 HydrophobicContact CZ-CG2 3.7Å; F147-V151 WeakPolarHBondContact O-CG2 2.99Å; F147-V151 PolarHBondContact O-N 3.49Å; V151-L154 PolarHBondContact O-N 2.66Å; V151-V155 WeakPolarHBondContact O-CG2 3.3Å; V151-V155 PolarHBondContact O-N 3.33Å |
| 152 | R | 92 | Very high | 89.5 | Confident | 188 Ų | 188 | 85.4 Ų | 85.4 | 71% | 0.709 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -65.7 | -37.9 | 176.8 | -70.1 | 173.6 | 92.1 | 110.3 | 2.9 | 112.1 | N148 Y149 T150 V155 S156 | N148-R152 VanDerWaalsContact O-CB 3.31Å; N148-R152 WeakPolarHBondContact O-CB 3.33Å; N148-R152 WeakPolarHBondContact O-CG 3.28Å; N148-R152 PolarHBondContact O-N 3.5Å; Y149-R152 PolarHBondContact O-N 2.96Å; T150-R152 PolarHBondContact O-N 3.25Å; R152-V155 PolarHBondContact O-N 2.85Å; R152-S156 VanDerWaalsContact O-CB 3.31Å; R152-S156 WeakPolarHBondContact O-CB 3.36Å; R152-S156 PolarHBondContact O-N 3.24Å; R152-S156 PolarHBondContact O-OG 3.42Å |
| 153 | F | 89.5 | Confident | 89.4 | Confident | 116 Ų | 116 | 84.8 Ų | 84.8 | 51% | 0.509 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.6 | -51 | 174 | 179.8 | -98.4 | 0 | 0 | 0 | 111.1 | Y149 T150 V155 S156 V157 | Y149-F153 WeakPolarHBondContact O-CB 3.25Å; Y149-F153 PolarHBondContact O-N 3.02Å; T150-F153 PolarHBondContact O-N 3.49Å; F153-V155 VanDerWaalsContact C-N 3.35Å; F153-V155 PolarHBondContact O-N 2.9Å; F153-S156 PolarHBondContact O-N 3.16Å; F153-S156 PolarHBondContact O-OG 3.47Å; F153-V157 HydrophobicContact CE1-CG2 4.46Å; F153-V157 PolarHBondContact O-N 2.91Å |
| 154 | L | 92 | Very high | 89 | Confident | 48 Ų | 48 | 88.4 Ų | 88.4 | 25% | 0.251 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -57.6 | -44.9 | 177.3 | -67.5 | 168.9 | 0 | 0 | 0 | 111.9 | T150 V151 S156 V157 L160 | T150-L154 HydrophobicContact CG2-CD1 4.08Å; T150-L154 VanDerWaalsContact O-CG 3.3Å; T150-L154 WeakPolarHBondContact O-CG 3.23Å; T150-L154 PolarHBondContact O-N 2.9Å; V151-L154 PolarHBondContact O-N 2.66Å; L154-S156 VanDerWaalsContact C-N 3.29Å; L154-S156 PolarHBondContact O-N 3.48Å; L154-V157 PolarHBondContact O-N 3.02Å; L154-L160 HydrophobicContact CB-CD1 4.17Å; L154-L160 HydrophobicContact CD2-CD1 3.55Å; L154-L160 HydrophobicContact CG-CD1 4.47Å; L154-L160 VanDerWaalsContact O-CB 3.25Å; L154-L160 WeakPolarHBondContact O-CB 3.34Å |
| 155 | V | 88.8 | Confident | 88.7 | Confident | 63 Ų | 63 | 87.2 Ų | 87.2 | 38% | 0.382 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.6 | -25.8 | 177.6 | 173.3 | 0 | 0 | 0 | 0 | 112.9 | V151 R152 F153 S161 | V151-V155 WeakPolarHBondContact O-CG2 3.3Å; V151-V155 PolarHBondContact O-N 3.33Å; R152-V155 PolarHBondContact O-N 2.85Å; F153-V155 VanDerWaalsContact C-N 3.35Å; F153-V155 PolarHBondContact O-N 2.9Å; V155-S161 VanDerWaalsContact O-CB 3.29Å; V155-S161 WeakPolarHBondContact O-CB 3.4Å; V155-S161 PolarHBondContact O-OG 3.47Å |
| 156 | S | 89.6 | Confident | 88.2 | Confident | 80 Ų | 80 | 84.3 Ų | 84.3 | 56% | 0.559 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -76.1 | -22.7 | 177.8 | 75.4 | 0 | 0 | 0 | 0 | 114.1 | R152 F153 L154 P158 | R152-S156 VanDerWaalsContact O-CB 3.31Å; R152-S156 WeakPolarHBondContact O-CB 3.36Å; R152-S156 PolarHBondContact O-N 3.24Å; R152-S156 PolarHBondContact O-OG 3.42Å; F153-S156 PolarHBondContact O-N 3.16Å; F153-S156 PolarHBondContact O-OG 3.47Å; L154-S156 VanDerWaalsContact C-N 3.29Å; L154-S156 PolarHBondContact O-N 3.48Å; S156-P158 WeakPolarHBondContact O-CD 3.45Å |
| 157 | V | 92.9 | Very high | 87.8 | Confident | 47 Ų | 47 | 83.5 Ų | 83.5 | 29% | 0.285 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -72.2 | 118.2 | 175.5 | 175.8 | 0 | 0 | 0 | 0 | 109 | F153 L154 V159 L160 S161 | F153-V157 HydrophobicContact CE1-CG2 4.46Å; F153-V157 PolarHBondContact O-N 2.91Å; L154-V157 PolarHBondContact O-N 3.02Å; V157-V159 HydrophobicContact CG1-CB 4.43Å; V157-V159 PolarHBondContact O-N 3.29Å; V157-V159 VanDerWaalsContact O-N 3.08Å; V157-L160 HydrophobicContact CB-CB 4.3Å; V157-L160 HydrophobicContact CB-CD1 4.15Å; V157-L160 HydrophobicContact CB-CG 4.31Å; V157-L160 HydrophobicContact CG1-CD1 4.41Å; V157-L160 HydrophobicContact CG1-CG 4.24Å; V157-L160 PolarHBondContact O-N 2.85Å; V157-L160 VanDerWaalsContact O-N 3.13Å; V157-S161 WeakPolarHBondContact O-CB 3.32Å; V157-S161 PolarHBondContact O-N 2.76Å |
| 158 | P | 89.2 | Confident | 87.2 | Confident | 91 Ų | 91 | 87.9 Ų | 87.9 | 59% | 0.591 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -59.4 | -29.5 | -170.8 | -28.4 | 36.5 | 0 | 0 | 0 | 115.2 | S156 R162 | S156-P158 WeakPolarHBondContact O-CD 3.45Å; P158-R162 VanDerWaalsContact O-CG 3.3Å; P158-R162 WeakPolarHBondContact O-CG 3.33Å; P158-R162 PolarHBondContact O-N 3.44Å; P158-R162 VanDerWaalsContact O-N 3.07Å |
| 159 | V | 86.2 | Confident | 86.4 | Confident | 106 Ų | 106 | 88.6 Ų | 88.6 | 64% | 0.642 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.8 | -53.5 | 176.2 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | V157 S161 R162 L163 | V157-V159 HydrophobicContact CG1-CB 4.43Å; V157-V159 PolarHBondContact O-N 3.29Å; V157-V159 VanDerWaalsContact O-N 3.08Å; V159-S161 VanDerWaalsContact C-N 3.3Å; V159-S161 PolarHBondContact O-N 2.9Å; V159-R162 WeakPolarHBondContact O-CB 3.26Å; V159-R162 PolarHBondContact O-N 3.39Å; V159-L163 PolarHBondContact O-N 3.49Å |
| 160 | L | 89.8 | Confident | 85.3 | Confident | 36 Ų | 36 | 82.8 Ų | 82.8 | 19% | 0.188 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -64.8 | -34.9 | 177.4 | -64.2 | 178.6 | 0 | 0 | 0 | 111.8 | L105 L154 V157 L163 F164 | L105-L160 HydrophobicContact CD2-CD2 3.97Å; L154-L160 HydrophobicContact CB-CD1 4.17Å; L154-L160 HydrophobicContact CD2-CD1 3.55Å; L154-L160 HydrophobicContact CG-CD1 4.47Å; L154-L160 VanDerWaalsContact O-CB 3.25Å; L154-L160 WeakPolarHBondContact O-CB 3.34Å; V157-L160 HydrophobicContact CB-CB 4.3Å; V157-L160 HydrophobicContact CB-CD1 4.15Å; V157-L160 HydrophobicContact CB-CG 4.31Å; V157-L160 HydrophobicContact CG1-CD1 4.41Å; V157-L160 HydrophobicContact CG1-CG 4.24Å; V157-L160 PolarHBondContact O-N 2.85Å; V157-L160 VanDerWaalsContact O-N 3.13Å; L160-L163 PolarHBondContact O-N 3.15Å; L160-F164 VanDerWaalsContact O-CB 3.27Å; L160-F164 WeakPolarHBondContact O-CB 3.43Å; L160-F164 PolarHBondContact O-N 2.96Å |
| 161 | S | 84.7 | Confident | 83.5 | Confident | 37 Ų | 37 | 86.4 Ų | 86.4 | 26% | 0.259 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 173.9 | -148.5 | 0 | 0 | 0 | 0 | 111.9 | V155 V157 V159 N165 | V155-S161 VanDerWaalsContact O-CB 3.29Å; V155-S161 WeakPolarHBondContact O-CB 3.4Å; V155-S161 PolarHBondContact O-OG 3.47Å; V157-S161 WeakPolarHBondContact O-CB 3.32Å; V157-S161 PolarHBondContact O-N 2.76Å; V159-S161 VanDerWaalsContact C-N 3.3Å; V159-S161 PolarHBondContact O-N 2.9Å; S161-N165 PolarHBondContact O-N 3.48Å; S161-N165 PolarHBondContact O-ND2 2.8Å |
| 162 | R | 85.9 | Confident | 82 | Confident | 195 Ų | 195 | 88 Ų | 88 | 74% | 0.736 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.8 | -46.6 | 173.1 | -72.5 | 169.6 | -175 | -174.3 | 2 | 111.5 | P158 V159 N165 A166 | P158-R162 VanDerWaalsContact O-CG 3.3Å; P158-R162 WeakPolarHBondContact O-CG 3.33Å; P158-R162 PolarHBondContact O-N 3.44Å; P158-R162 VanDerWaalsContact O-N 3.07Å; V159-R162 WeakPolarHBondContact O-CB 3.26Å; V159-R162 PolarHBondContact O-N 3.39Å; R162-N165 PolarHBondContact O-N 3.3Å; R162-A166 WeakPolarHBondContact O-CB 3.47Å; R162-A166 PolarHBondContact O-N 2.85Å |
| 163 | L | 85.3 | Confident | 80.2 | Confident | 47 Ų | 47 | 90.1 Ų | 90.1 | 25% | 0.246 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -63.2 | -43.8 | -177.7 | -163.4 | 68.5 | 0 | 0 | 0 | 112.1 | E108 L118 V159 L160 N165 A166 G167 | E108-L163 HydrophobicContact CB-CD2 4.06Å; L118-L163 HydrophobicContact CD1-CD2 3.78Å; L118-L163 HydrophobicContact CD2-CD2 3.64Å; L118-L163 HydrophobicContact CD2-CG 3.87Å; L118-L163 HydrophobicContact CG-CD2 4.17Å; V159-L163 PolarHBondContact O-N 3.49Å; L160-L163 PolarHBondContact O-N 3.15Å; L163-N165 VanDerWaalsContact C-N 3.34Å; L163-N165 PolarHBondContact O-N 3.35Å; L163-A166 PolarHBondContact O-N 3.21Å; L163-G167 PolarHBondContact O-N 2.7Å |
| 164 | F | 80.9 | Confident | 78.6 | Confident | 89 Ų | 89 | 87.7 Ų | 87.7 | 39% | 0.39 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 175.4 | -172 | -97.9 | 0 | 0 | 0 | 112.5 | L160 R168 | L160-F164 VanDerWaalsContact O-CB 3.27Å; L160-F164 WeakPolarHBondContact O-CB 3.43Å; L160-F164 PolarHBondContact O-N 2.96Å; F164-R168 WeakPolarHBondContact O-CG 3.35Å; F164-R168 PolarHBondContact O-N 3.47Å |
| 165 | N | 82.1 | Confident | 76.5 | Confident | 92 Ų | 92 | 87.3 Ų | 87.3 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.8 | -40.6 | 174.5 | -75.8 | -58.2 | 0 | 0 | 0 | 112 | S161 R162 L163 R168 S169 | S161-N165 PolarHBondContact O-N 3.48Å; S161-N165 PolarHBondContact O-ND2 2.8Å; R162-N165 PolarHBondContact O-N 3.3Å; L163-N165 VanDerWaalsContact C-N 3.34Å; L163-N165 PolarHBondContact O-N 3.35Å; N165-R168 PolarHBondContact O-N 3.3Å; N165-S169 PolarHBondContact O-N 3.42Å; N165-S169 PolarHBondContact O-OG 3.42Å; N165-S169 VanDerWaalsContact O-OG 3.12Å |
| 166 | A | 81.5 | Confident | 74.8 | Confident | 60 Ų | 60 | 91.7 Ų | 91.7 | 50% | 0.496 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | R162 L163 R168 S169 G170 | R162-A166 WeakPolarHBondContact O-CB 3.47Å; R162-A166 PolarHBondContact O-N 2.85Å; L163-A166 PolarHBondContact O-N 3.21Å; A166-R168 VanDerWaalsContact C-N 3.33Å; A166-R168 PolarHBondContact O-N 2.9Å; A166-S169 PolarHBondContact O-N 2.84Å; A166-S169 VanDerWaalsContact O-N 3.08Å; A166-G170 PolarHBondContact O-N 3.15Å |
| 167 | G | 81.9 | Confident | 73.2 | Confident | 28 Ų | 28 | 91 Ų | 91 | 29% | 0.289 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L163 S169 G170 L171 | L163-G167 PolarHBondContact O-N 2.7Å; G167-S169 VanDerWaalsContact C-N 3.34Å; G167-S169 PolarHBondContact O-N 3.43Å; G167-G170 PolarHBondContact O-N 3.17Å; G167-L171 PolarHBondContact O-N 3.22Å |
| 168 | R | 77.1 | Confident | 71.4 | Confident | 173 Ų | 173 | 95.1 Ų | 95.1 | 65% | 0.653 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.2 | -34.4 | 174.1 | -70.7 | -178.3 | 73.5 | 124.5 | 3.8 | 112.9 | F164 N165 A166 | F164-R168 WeakPolarHBondContact O-CG 3.35Å; F164-R168 PolarHBondContact O-N 3.47Å; N165-R168 PolarHBondContact O-N 3.3Å; A166-R168 VanDerWaalsContact C-N 3.33Å; A166-R168 PolarHBondContact O-N 2.9Å |
| 169 | S | 74.1 | Confident | 69.8 | Low | 89 Ų | 89 | 95 Ų | 95 | 62% | 0.622 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -72.6 | -38.3 | 177.6 | -61.7 | 0 | 0 | 0 | 0 | 113.2 | N165 A166 G167 | N165-S169 PolarHBondContact O-N 3.42Å; N165-S169 PolarHBondContact O-OG 3.42Å; N165-S169 VanDerWaalsContact O-OG 3.12Å; A166-S169 PolarHBondContact O-N 2.84Å; A166-S169 VanDerWaalsContact O-N 3.08Å; G167-S169 VanDerWaalsContact C-N 3.34Å; G167-S169 PolarHBondContact O-N 3.43Å |
| 170 | G | 68.1 | Low | 68.4 | Low | 47 Ų | 47 | 92.3 Ų | 92.3 | 49% | 0.485 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | A166 G167 S172 R173 | A166-G170 PolarHBondContact O-N 3.15Å; G167-G170 PolarHBondContact O-N 3.17Å; G170-S172 PolarHBondContact O-N 3.29Å; G170-R173 PolarHBondContact O-N 3.47Å |
| 171 | L | 52.7 | Low | 66.8 | Low | 121 Ų | 121 | 96.6 Ų | 96.6 | 63% | 0.634 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -57.1 | -33.7 | -178.3 | -77.2 | 165 | 0 | 0 | 0 | 113.4 | G167 R173 G175 | G167-L171 PolarHBondContact O-N 3.22Å; L171-R173 PolarHBondContact O-N 3.48Å; L171-G175 PolarHBondContact O-N 3.47Å |
| 172 | S | 57.2 | Low | 65.8 | Low | 95 Ų | 95 | 98.9 Ų | 98.9 | 66% | 0.664 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -72.4 | -7 | -174.6 | -168.6 | 0 | 0 | 0 | 0 | 115 | G170 | G170-S172 PolarHBondContact O-N 3.29Å |
| 173 | R | 55.8 | Low | 64.7 | Low | 232 Ų | 232 | 94.4 Ų | 94.4 | 88% | 0.875 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -122.4 | -26.7 | -177.6 | -126.3 | 179 | -173.8 | -174.7 | 1.3 | 115.1 | G170 L171 | G170-R173 PolarHBondContact O-N 3.47Å; L171-R173 PolarHBondContact O-N 3.48Å |
| 174 | A | 55.2 | Low | 63.6 | Low | 65 Ų | 65 | 100.7 Ų | 100.7 | 54% | 0.537 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -91.9 | -39.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q176 | A174-Q176 VanDerWaalsContact C-N 3.28Å; A174-Q176 PolarHBondContact O-N 3.17Å |
| 175 | G | 47.7 | Very low | 62.7 | Low | 41 Ų | 41 | 99.6 Ų | 99.6 | 42% | 0.423 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.9 | -20.2 | -171 | 0 | 0 | 0 | 0 | 0 | 115.6 | L171 T179 | L171-G175 PolarHBondContact O-N 3.47Å; G175-T179 WeakPolarHBondContact O-CG2 3.34Å; G175-T179 PolarHBondContact O-OG1 3.29Å |
| 176 | Q | 52.4 | Low | 61.5 | Low | 154 Ų | 154 | 102.5 Ų | 102.5 | 72% | 0.72 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -85.1 | -15.7 | -174 | -158.7 | 170.1 | 10.1 | 0 | 0 | 113.9 | A174 | A174-Q176 VanDerWaalsContact C-N 3.28Å; A174-Q176 PolarHBondContact O-N 3.17Å |
| 177 | A | 56.6 | Low | 60.7 | Low | 66 Ų | 66 | 104 Ų | 104 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -77.5 | -57.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T179 A180 | A177-T179 VanDerWaalsContact C-N 3.34Å; A177-T179 PolarHBondContact O-N 3.44Å; A177-A180 PolarHBondContact O-N 3.49Å |
| 178 | H | 55.4 | Low | 59.7 | Low | 134 Ų | 134 | 106.9 Ų | 106.9 | 62% | 0.62 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67 | -30.6 | -175.4 | -67.2 | -65.6 | 0 | 0 | 0 | 113.9 | A180 E181 V182 | H178-A180 VanDerWaalsContact C-N 3.32Å; H178-A180 PolarHBondContact O-N 3.45Å; H178-E181 PolarHBondContact O-N 3.47Å; H178-V182 PolarHBondContact O-N 3.4Å |
| 179 | T | 55.8 | Low | 58.9 | Low | 87 Ų | 87 | 105.8 Ų | 105.8 | 53% | 0.534 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.1 | -31.3 | 177.3 | 42.2 | 0 | 0 | 0 | 0 | 112.9 | G175 A177 E181 V183 | G175-T179 WeakPolarHBondContact O-CG2 3.34Å; G175-T179 PolarHBondContact O-OG1 3.29Å; A177-T179 VanDerWaalsContact C-N 3.34Å; A177-T179 PolarHBondContact O-N 3.44Å; T179-E181 VanDerWaalsContact C-N 3.29Å; T179-E181 PolarHBondContact O-N 2.68Å; T179-V183 VanDerWaalsContact O-CG2 3.32Å; T179-V183 WeakPolarHBondContact O-CG2 3.48Å; T179-V183 PolarHBondContact O-N 2.85Å |
| 180 | A | 55.6 | Low | 57.9 | Low | 50 Ų | 50 | 107.6 Ų | 107.6 | 41% | 0.413 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -74 | -18.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A177 H178 | A177-A180 PolarHBondContact O-N 3.49Å; H178-A180 VanDerWaalsContact C-N 3.32Å; H178-A180 PolarHBondContact O-N 3.45Å |
| 181 | E | 57.7 | Low | 56.7 | Low | 127 Ų | 127 | 112.5 Ų | 112.5 | 59% | 0.593 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -90.7 | -46.2 | -178.6 | -166.9 | 162.3 | -130.3 | 0 | 0 | 111.6 | H178 T179 V183 R184 A185 | H178-E181 PolarHBondContact O-N 3.47Å; T179-E181 VanDerWaalsContact C-N 3.29Å; T179-E181 PolarHBondContact O-N 2.68Å; E181-V183 VanDerWaalsContact C-N 3.33Å; E181-V183 PolarHBondContact O-N 3.11Å; E181-R184 PolarHBondContact O-N 2.94Å; E181-R184 VanDerWaalsContact O-N 3.08Å; E181-A185 PolarHBondContact O-N 2.99Å |
| 182 | V | 62 | Low | 56.6 | Low | 85 Ų | 85 | 111.1 Ų | 111.1 | 52% | 0.515 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -59.3 | -42.2 | 175.7 | 176.1 | 0 | 0 | 0 | 0 | 111.8 | H178 R184 A185 Q186 | H178-V182 PolarHBondContact O-N 3.4Å; V182-R184 VanDerWaalsContact C-N 3.29Å; V182-R184 PolarHBondContact O-N 3.44Å; V182-A185 PolarHBondContact O-N 3.26Å; V182-Q186 PolarHBondContact O-N 3.23Å; V182-Q186 VanDerWaalsContact O-N 3.12Å |
| 183 | V | 64.7 | Low | 56.2 | Low | 101 Ų | 101 | 111.6 Ų | 111.6 | 61% | 0.612 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65.7 | -31.7 | 177.2 | 172.5 | 0 | 0 | 0 | 0 | 111.9 | T179 E181 | T179-V183 VanDerWaalsContact O-CG2 3.32Å; T179-V183 WeakPolarHBondContact O-CG2 3.48Å; T179-V183 PolarHBondContact O-N 2.85Å; E181-V183 VanDerWaalsContact C-N 3.33Å; E181-V183 PolarHBondContact O-N 3.11Å |
| 184 | R | 60.9 | Low | 56 | Low | 179 Ų | 179 | 105.4 Ų | 105.4 | 68% | 0.675 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -74.8 | -33.2 | 176.9 | -165 | 177.8 | -64.2 | 114 | 2.3 | 112.1 | E181 V182 | E181-R184 PolarHBondContact O-N 2.94Å; E181-R184 VanDerWaalsContact O-N 3.08Å; V182-R184 VanDerWaalsContact C-N 3.29Å; V182-R184 PolarHBondContact O-N 3.44Å |
| 185 | A | 61.4 | Low | 55.8 | Low | 66 Ų | 66 | 110.7 Ų | 110.7 | 55% | 0.545 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -74.1 | -28.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E181 V182 S188 | E181-A185 PolarHBondContact O-N 2.99Å; V182-A185 PolarHBondContact O-N 3.26Å; A185-S188 PolarHBondContact O-OG 3.35Å |
| 186 | Q | 58.6 | Low | 56.1 | Low | 153 Ų | 153 | 118 Ų | 118 | 72% | 0.715 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -79.2 | -14.8 | 178 | -73.2 | -174.6 | -11.7 | 0 | 0 | 114.2 | V182 S188 | V182-Q186 PolarHBondContact O-N 3.23Å; V182-Q186 VanDerWaalsContact O-N 3.12Å; Q186-S188 PolarHBondContact O-N 3.32Å |
| 187 | A | 63.9 | Low | 55.9 | Low | 90 Ų | 90 | 114.8 Ų | 114.8 | 74% | 0.744 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 4.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 188 | S | 61 | Low | 56.1 | Low | 89 Ų | 89 | 117.5 Ų | 117.5 | 62% | 0.622 | 70% | 0.7 | S | S | * | * | | | trans | -133.7 | 41.3 | -165.3 | 59.8 | 0 | 0 | 0 | 0 | 115.1 | A185 Q186 | A185-S188 PolarHBondContact O-OG 3.35Å; Q186-S188 PolarHBondContact O-N 3.32Å |
| 189 | L | 60 | Low | 55.6 | Low | 151 Ų | 151 | 122.4 Ų | 122.4 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | | | trans | -111.9 | 132.8 | 168.2 | -100 | 76.7 | 0 | 0 | 0 | 111.7 | | |
| 190 | P | 53.4 | Low | 55.6 | Low | 126 Ų | 126 | 126.9 Ų | 126.9 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | | | trans | -88.1 | 140.6 | 177.1 | 34.2 | -33.4 | 0 | 0 | 0 | 112.9 | | |
| 191 | T | 44 | Very low | 55.1 | Low | 151 Ų | 151 | 135.6 Ų | 135.6 | 93% | 0.926 | 76% | 0.755 | S | S | * | * | | | trans | -89.3 | 128.9 | 178.4 | -40.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 192 | A | 50.1 | Low | 55.1 | Low | 92 Ų | 92 | 136.1 Ų | 136.1 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | | | trans | -153.7 | 146.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 193 | A | 49.2 | Very low | 54.4 | Low | 104 Ų | 104 | 136.4 Ų | 136.4 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | 62.5 | 155.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 194 | S | 50.8 | Low | 53.5 | Low | 102 Ų | 102 | 138.7 Ų | 138.7 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | cis | -160.1 | 122.5 | -13.2 | 146.9 | 0 | 0 | 0 | 0 | 104.9 | | |
| 195 | E | 52 | Low | 53 | Low | 176 Ų | 176 | 134.2 Ų | 134.2 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | | 76.3 | 104.4 | 81.5 | -172.1 | 179 | -150.8 | 0 | 0 | 115.3 | | |
| 196 | E | 53.7 | Low | 52.4 | Low | 195 Ų | 195 | 141.1 Ų | 141.1 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | | | | -176.3 | 157.7 | 128.3 | -101.8 | -147 | 116.7 | 0 | 0 | 112.2 | | |
| 197 | A | 48.4 | Very low | 51.8 | Low | 86 Ų | 86 | 142.4 Ų | 142.4 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | | | trans | -167.1 | 155.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 198 | P | 59.8 | Low | 51 | Low | 123 Ų | 123 | 145.6 Ų | 145.6 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | | | trans | -141.8 | 114.1 | 141.7 | 32.9 | -15.7 | 0 | 0 | 0 | 116.5 | | |
| 199 | R | 45.3 | Very low | 50.6 | Low | 238 Ų | 238 | 151.8 Ų | 151.8 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | | | | 31.9 | 123.7 | 127.8 | -57.9 | 176 | 179.5 | -177.9 | 1 | 120.1 | | |
| 200 | L | 54.8 | Low | 49.9 | Very low | 180 Ų | 180 | 157.1 Ų | 157.1 | 94% | 0.942 | 82% | 0.816 | S | S | * | * | | | trans | -147.6 | 152.4 | 130.1 | -116.6 | 153.1 | 0 | 0 | 0 | 110.3 | | |
| 201 | R | 44.8 | Very low | 49.6 | Very low | 234 Ų | 234 | 154.5 Ų | 154.5 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | | | trans | -126.1 | 149.1 | -169.5 | -72.6 | 178.1 | 170 | 173.2 | -4.8 | 111.9 | | |
| 202 | V | 57.9 | Low | 50.2 | Low | 138 Ų | 138 | 151.8 Ų | 151.8 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | | | trans | 175.3 | 106.2 | 142.8 | 155.6 | 0 | 0 | 0 | 0 | 104.3 | | |
| 203 | A | 47 | Very low | 50.3 | Low | 90 Ų | 90 | 155.8 Ų | 155.8 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | | | | 65.1 | 133.6 | 63.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 204 | D | 47.7 | Very low | 51.2 | Low | 150 Ų | 150 | 160 Ų | 160 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | | | cis | -168.7 | -172.8 | -11.5 | 177 | 28 | 0 | 0 | 0 | 107 | | |
| 205 | V | 50.3 | Low | 51.4 | Low | 85 Ų | 85 | 161.4 Ų | 161.4 | 52% | 0.515 | 82% | 0.819 | S | S | . | * | | | trans | 86.3 | 98.2 | 154 | -169.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 206 | R | 48.6 | Very low | 51.4 | Low | 210 Ų | 210 | 164.9 Ų | 164.9 | 79% | 0.792 | 83% | 0.825 | S | S | * | * | | | trans | 68.9 | 117 | 138.2 | -63.7 | 173.1 | -172.1 | 129.1 | 2.2 | 122.1 | | |
| 207 | Q | 45.2 | Very low | 51.5 | Low | 181 Ų | 181 | 160.4 Ų | 160.4 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | | | | 23.7 | 106.4 | 109.8 | -63.4 | 174.7 | -33.3 | 0 | 0 | 118.2 | | |
| 208 | Q | 46.8 | Very low | 51.8 | Low | 157 Ų | 157 | 167.8 Ų | 167.8 | 73% | 0.734 | 83% | 0.83 | S | S | * | * | | | trans | -161.9 | 160 | 137.3 | -121.3 | -175.8 | 37.4 | 0 | 0 | 113.5 | | |
| 209 | R | 52.4 | Low | 51.8 | Low | 219 Ų | 219 | 167.4 Ų | 167.4 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | | | trans | 60.7 | 76.7 | 157.4 | -63.3 | 165.1 | -170.7 | -99.1 | -2.8 | 117.4 | | |
| 210 | R | 46 | Very low | 52.6 | Low | 262 Ų | 262 | 167.4 Ų | 167.4 | 99% | 0.989 | 83% | 0.83 | S | S | * | * | | | trans | -88.3 | 127.6 | 132.4 | -78.3 | -169.9 | 177.6 | -165.9 | 0.3 | 108.9 | | |
| 211 | G | 48 | Very low | 52.8 | Low | 72 Ų | 72 | 164.2 Ų | 164.2 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | | | trans | 160.9 | 151.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 212 | A | 55.2 | Low | 53.3 | Low | 94 Ų | 94 | 157.9 Ų | 157.9 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | | | cis | 177.7 | 100.6 | -9.6 | 0 | 0 | 0 | 0 | 0 | 103.7 | | |
| 213 | D | 51.9 | Low | 53.1 | Low | 175 Ų | 175 | 154.8 Ų | 154.8 | 94% | 0.936 | 82% | 0.815 | S | S | * | * | | | trans | -62.5 | 144.9 | -177.3 | -74.2 | -66.2 | 0 | 0 | 0 | 112.4 | | |
| 214 | K | 68 | Low | 53.6 | Low | 193 Ų | 193 | 158.5 Ų | 158.5 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | | | trans | -140.5 | 111.1 | -174.7 | -165.6 | 175.2 | -173.3 | 176.3 | 0 | 111.1 | | |
| 215 | P | 54.8 | Low | 54 | Low | 132 Ų | 132 | 157.5 Ų | 157.5 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | | | trans | -72.8 | 159.1 | 177.3 | 30.1 | -34 | 0 | 0 | 0 | 111.9 | | |
| 216 | R | 53.4 | Low | 54.4 | Low | 249 Ų | 249 | 158 Ų | 158 | 94% | 0.94 | 82% | 0.824 | S | S | * | * | | | trans | -127.2 | 126.6 | -164.2 | -179.3 | -174.4 | -176.4 | -169.9 | 3.7 | 112.5 | | |
| 217 | A | 54.8 | Low | 55.1 | Low | 100 Ų | 100 | 154.1 Ų | 154.1 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | | | trans | -156.3 | 162.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 218 | R | 54.6 | Low | 55.5 | Low | 241 Ų | 241 | 151.4 Ų | 151.4 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | | | cis | -168.4 | 77.5 | -40.8 | -165.5 | -173.9 | -168.8 | -151.9 | 5.3 | 111.5 | | |
| 219 | S | 59.6 | Low | 55.8 | Low | 115 Ų | 115 | 147.3 Ų | 147.3 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | | | trans | -155.2 | 130.2 | 171.4 | 30.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 220 | R | 62.6 | Low | 56.1 | Low | 238 Ų | 238 | 145.7 Ų | 145.7 | 90% | 0.898 | 82% | 0.821 | S | S | * | * | | | cis | 81.9 | 135.2 | 22.5 | -152 | -167.5 | -168.9 | -160.6 | 4.5 | 113.1 | | |
| 221 | P | 59.2 | Low | 56.5 | Low | 113 Ų | 113 | 144.1 Ų | 144.1 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | | | cis | -135.8 | -177.8 | -43.3 | 42.5 | -28.2 | 0 | 0 | 0 | 112.9 | | |
| 222 | A | 56 | Low | 56.8 | Low | 101 Ų | 101 | 145.3 Ų | 145.3 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | | | trans | 176.6 | 138.4 | 136 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 223 | G | 53.6 | Low | 57.1 | Low | 74 Ų | 74 | 145.6 Ų | 145.6 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | | | trans | 67 | 159.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 224 | E | 57.7 | Low | 57.4 | Low | 167 Ų | 167 | 142.4 Ų | 142.4 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | | | cis | -164.8 | 164 | -31.4 | -138.2 | 177.9 | -138.3 | 0 | 0 | 112.1 | | |
| 225 | N | 55.5 | Low | 56.8 | Low | 130 Ų | 130 | 140.1 Ų | 140.1 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | | | trans | 67.5 | 111.3 | 156 | -58.4 | -37.9 | 0 | 0 | 0 | 122.8 | | |
| 226 | A | 58.2 | Low | 56.8 | Low | 95 Ų | 95 | 143.9 Ų | 143.9 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | 64.2 | 153.5 | 138.6 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 227 | T | 64.1 | Low | 57 | Low | 128 Ų | 128 | 139.9 Ų | 139.9 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | cis | -149.3 | 143.2 | 5.8 | -40.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 228 | P | 52.4 | Low | 57 | Low | 125 Ų | 125 | 140.5 Ų | 140.5 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | trans | -99.2 | 150 | 172.4 | 36.4 | -32.1 | 0 | 0 | 0 | 113.5 | | |
| 229 | G | 53.5 | Low | 57.1 | Low | 71 Ų | 71 | 132.7 Ų | 132.7 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | | | trans | -169.5 | 111.3 | 177 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 230 | K | 58 | Low | 56.6 | Low | 185 Ų | 185 | 134 Ų | 134 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | 72.3 | 122.5 | 148.5 | -60 | 171.9 | -174.9 | 171.9 | 0 | 117.3 | | |
| 231 | R | 56.4 | Low | 56.3 | Low | 228 Ų | 228 | 126.8 Ų | 126.8 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | | | | 71.4 | 144.9 | 99.5 | -63.7 | 178.1 | -175.6 | -175.4 | -0.8 | 113.5 | | |
| 232 | S | 53.4 | Low | 56.1 | Low | 97 Ų | 97 | 126.4 Ų | 126.4 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | | | cis | -156.7 | 136.5 | 8.9 | -127.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 233 | S | 61 | Low | 56 | Low | 101 Ų | 101 | 128.5 Ų | 128.5 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | | 66.1 | 148.3 | 90.7 | 79.7 | 0 | 0 | 0 | 0 | 116.9 | | |
| 234 | S | 57.7 | Low | 55.8 | Low | 108 Ų | 108 | 132.2 Ų | 132.2 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | | | trans | 81.7 | 139.5 | 170.1 | -164 | 0 | 0 | 0 | 0 | 116.1 | | |
| 235 | D | 57.2 | Low | 55.5 | Low | 145 Ų | 145 | 132 Ų | 132 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | | | cis | -178.9 | -178 | -35.6 | -111.6 | -53.6 | 0 | 0 | 0 | 108 | | |
| 236 | R | 54.2 | Low | 55.2 | Low | 210 Ų | 210 | 137 Ų | 137 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | | | trans | 84.2 | 120.6 | 166.7 | -57.5 | -166.4 | 172.1 | 170.6 | -2.3 | 115.5 | | |
| 237 | Q | 58.4 | Low | 54.8 | Low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | | | | 67.1 | 137.6 | 66.6 | -64.9 | 164.9 | -10.4 | 0 | 0 | 111.3 | | |
| 238 | S | 53.2 | Low | 54.4 | Low | 113 Ų | 113 | 138.8 Ų | 138.8 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | cis | -171.6 | 171.7 | -0.1 | -96.9 | 0 | 0 | 0 | 0 | 107 | | |
| 239 | A | 57 | Low | 53.9 | Low | 77 Ų | 77 | 137.8 Ų | 137.8 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | | | cis | -178.6 | -170.6 | -19.9 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 240 | T | 50.3 | Low | 53.9 | Low | 142 Ų | 142 | 140 Ų | 140 | 87% | 0.871 | 78% | 0.776 | S | S | * | * | | | trans | 73.2 | 138.2 | 164.4 | -38.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 241 | A | 55.2 | Low | 53.7 | Low | 87 Ų | 87 | 138.8 Ų | 138.8 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | | | cis | -149.3 | 170.1 | -7.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 242 | P | 55.4 | Low | 53.4 | Low | 106 Ų | 106 | 131.3 Ų | 131.3 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | | | trans | -110.8 | -177.2 | -165.7 | 42.4 | -36 | 0 | 0 | 0 | 116.1 | | |
| 243 | N | 54 | Low | 53.5 | Low | 145 Ų | 145 | 132.2 Ų | 132.2 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | | | trans | 76.1 | 112.4 | 157.8 | -62.1 | -21.1 | 0 | 0 | 0 | 120.2 | | |
| 244 | T | 48.2 | Very low | 52.9 | Low | 152 Ų | 152 | 132 Ų | 132 | 93% | 0.933 | 79% | 0.789 | S | S | * | * | | | | -158.7 | 155.2 | 116.4 | 5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 245 | L | 51.6 | Low | 53 | Low | 163 Ų | 163 | 135.6 Ų | 135.6 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | -96.7 | 133.4 | -174.6 | -69.2 | 161.6 | 0 | 0 | 0 | 112.4 | | |
| 246 | R | 48.9 | Very low | 52.5 | Low | 235 Ų | 235 | 140.6 Ų | 140.6 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | | | trans | 175.3 | 110.1 | 150.7 | -94 | 146 | -171.7 | -160 | 2.2 | 107.1 | | |
| 247 | S | 50.6 | Low | 53 | Low | 94 Ų | 94 | 135.3 Ų | 135.3 | 66% | 0.657 | 81% | 0.808 | S | S | * | * | | | | 70.6 | 131.3 | 68.5 | 76.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 248 | I | 55.9 | Low | 52.9 | Low | 166 Ų | 166 | 134 Ų | 134 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | trans | 91 | 120.8 | 170.9 | -53.3 | 162.4 | 0 | 0 | 0 | 115.3 | | |
| 249 | S | 41.5 | Very low | 53.3 | Low | 104 Ų | 104 | 133.9 Ų | 133.9 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | -83.2 | -162.5 | 175.4 | -39.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 250 | P | 53.3 | Low | 53 | Low | 118 Ų | 118 | 135.6 Ų | 135.6 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | | | cis | -141.5 | 135.9 | -1.4 | 36.4 | -14.6 | 0 | 0 | 0 | 117.4 | | |
| 251 | T | 54.1 | Low | 53.7 | Low | 158 Ų | 158 | 133.9 Ų | 133.9 | 97% | 0.969 | 80% | 0.803 | S | S | * | * | | | trans | -149.1 | 126.7 | 162.8 | -27.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 252 | G | 51.3 | Low | 53.7 | Low | 71 Ų | 71 | 139.5 Ų | 139.5 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | | | trans | 159.4 | 102.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 253 | S | 54.1 | Low | 53.8 | Low | 116 Ų | 116 | 137.7 Ų | 137.7 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | | | trans | -25.1 | 123 | 166.7 | 48.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 254 | A | 49.2 | Very low | 54 | Low | 97 Ų | 97 | 136.5 Ų | 136.5 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | | | | 79.8 | 106.4 | 59.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 255 | L | 58.5 | Low | 54.8 | Low | 183 Ų | 183 | 133 Ų | 133 | 96% | 0.958 | 79% | 0.788 | S | S | * | * | | | trans | -156.4 | 135.7 | 144.4 | -105.5 | 173.4 | 0 | 0 | 0 | 108.2 | | |
| 256 | R | 48.7 | Very low | 55.6 | Low | 251 Ų | 251 | 129.9 Ų | 129.9 | 95% | 0.947 | 78% | 0.778 | S | S | * | * | | | trans | -100.8 | 140.8 | -175.6 | -89.1 | -175.7 | 166.9 | -164.6 | -2.7 | 112.1 | | |
| 257 | A | 63.3 | Low | 56.5 | Low | 99 Ų | 99 | 126 Ų | 126 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -139 | 145.1 | 152.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 258 | N | 55.9 | Low | 57.3 | Low | 136 Ų | 136 | 126.4 Ų | 126.4 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | -94.7 | 122.3 | -172.7 | -175.8 | 40.7 | 0 | 0 | 0 | 111.8 | C260 | N258-C260 PolarHBondContact ND2-SG 3.15Å; N258-C260 PolarHBondContact O-N 3.02Å |
| 259 | P | 61.4 | Low | 58 | Low | 111 Ų | 111 | 128.4 Ų | 128.4 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | | | trans | -82.7 | 93.1 | 178.4 | 32.8 | -33.6 | 0 | 0 | 0 | 112 | S261 | P259-S261 PolarHBondContact O-N 2.95Š|
| 260 | C | 52.2 | Low | 59.9 | Low | 114 Ų | 114 | 128 Ų | 128 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | | | trans | -84.7 | 92.7 | 164.6 | -68.4 | 0 | 0 | 0 | 0 | 109.9 | N258 E262 | N258-C260 PolarHBondContact ND2-SG 3.15Å; N258-C260 PolarHBondContact O-N 3.02Å; C260-E262 PolarHBondContact O-N 3.35Å |
| 261 | S | 63.7 | Low | 61 | Low | 106 Ų | 106 | 126.3 Ų | 126.3 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | | | trans | -78 | 112 | 178.8 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | P259 G263 | P259-S261 PolarHBondContact O-N 2.95Å; S261-G263 PolarHBondContact O-N 2.87Å; S261-G263 VanDerWaalsContact O-N 3.16Å |
| 262 | E | 56.3 | Low | 61.8 | Low | 205 Ų | 205 | 125.1 Ų | 125.1 | 96% | 0.958 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 27.7 | 78.1 | 132 | -165.6 | 163 | -148.4 | 0 | 0 | 116.2 | C260 | C260-E262 PolarHBondContact O-N 3.35Š|
| 263 | G | 58.2 | Low | 62.7 | Low | 68 Ų | 68 | 125.5 Ų | 125.5 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | | | trans | 175.6 | 41.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | S261 | S261-G263 PolarHBondContact O-N 2.87Å; S261-G263 VanDerWaalsContact O-N 3.16Å |
| 264 | T | 56.3 | Low | 63.1 | Low | 120 Ų | 120 | 122.4 Ų | 122.4 | 74% | 0.736 | 70% | 0.704 | S | S | * | * | | | trans | -141.2 | 137.6 | 172.1 | -6.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 265 | D | 65.8 | Low | 63.8 | Low | 77 Ų | 77 | 123.4 Ų | 123.4 | 41% | 0.412 | 70% | 0.696 | S | S | . | * | | | trans | -60.1 | 129.5 | -167.6 | -175.5 | -9.8 | 0 | 0 | 0 | 113.2 | F267 C268 | D265-F267 PolarHBondContact O-N 3.47Å; D265-F267 WeakPolarHBondContact OD1-CB 3.33Å; D265-F267 WeakPolarHBondContact OD1-CD2 3.45Å; D265-F267 PolarHBondContact OD1-N 3.26Å; D265-C268 HydrophobicContact CB-CB 4.49Å; D265-C268 WeakPolarHBondContact O-CB 3.36Å; D265-C268 PolarHBondContact O-N 2.7Å; D265-C268 VanDerWaalsContact O-N 3.1Å |
| 266 | P | 69.3 | Low | 64.2 | Low | 98 Ų | 98 | 123 Ų | 123 | 64% | 0.636 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -57.7 | -29.5 | 172.7 | 24.3 | -35.4 | 0 | 0 | 0 | 114.1 | C268 R269 | P266-C268 PolarHBondContact O-N 3.23Å; P266-R269 PolarHBondContact O-N 3.2Å; P266-R269 VanDerWaalsContact O-N 3.16Å |
| 267 | F | 67.9 | Low | 64.6 | Low | 153 Ų | 153 | 116.9 Ų | 116.9 | 67% | 0.671 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -65.2 | -28.5 | 176 | -71.5 | -75.5 | 0 | 0 | 0 | 112.4 | D265 R269 L270 | D265-F267 PolarHBondContact O-N 3.47Å; D265-F267 WeakPolarHBondContact OD1-CB 3.33Å; D265-F267 WeakPolarHBondContact OD1-CD2 3.45Å; D265-F267 PolarHBondContact OD1-N 3.26Å; F267-R269 PolarHBondContact O-N 3.34Å; F267-R269 VanDerWaalsContact O-N 3.13Å; F267-L270 HydrophobicContact CD1-CD1 4.42Å; F267-L270 PolarHBondContact O-N 2.81Å |
| 268 | C | 66.7 | Low | 64.6 | Low | 103 Ų | 103 | 121.6 Ų | 121.6 | 70% | 0.696 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -72.8 | 3.4 | 175.2 | -63.3 | 0 | 0 | 0 | 0 | 114.4 | D265 P266 | D265-C268 HydrophobicContact CB-CB 4.49Å; D265-C268 WeakPolarHBondContact O-CB 3.36Å; D265-C268 PolarHBondContact O-N 2.7Å; D265-C268 VanDerWaalsContact O-N 3.1Å; P266-C268 PolarHBondContact O-N 3.23Å |
| 269 | R | 70.2 | Confident | 64.7 | Low | 209 Ų | 209 | 120 Ų | 120 | 79% | 0.789 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -116.2 | -2.2 | 176.7 | -66.2 | -168.2 | 177.6 | -149.4 | 0.6 | 114.7 | P266 F267 | P266-R269 PolarHBondContact O-N 3.2Å; P266-R269 VanDerWaalsContact O-N 3.16Å; F267-R269 PolarHBondContact O-N 3.34Å; F267-R269 VanDerWaalsContact O-N 3.13Å |
| 270 | L | 80.7 | Confident | 64.6 | Low | 94 Ų | 94 | 121 Ų | 121 | 49% | 0.492 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -85.7 | 124.8 | 175.6 | -76.9 | 165.8 | 0 | 0 | 0 | 110.3 | F267 A274 | F267-L270 HydrophobicContact CD1-CD1 4.42Å; F267-L270 PolarHBondContact O-N 2.81Å; L270-A274 HydrophobicContact CD2-CB 4.46Å |
| 271 | P | 77.6 | Confident | 64.8 | Low | 84 Ų | 84 | 119.1 Ų | 119.1 | 55% | 0.545 | 65% | 0.654 | S | S | . | * | | | trans | -65.6 | 137.6 | 170.5 | 28.5 | -33.2 | 0 | 0 | 0 | 109.4 | S273 A274 | P271-S273 PolarHBondContact O-N 2.79Å; P271-A274 VanDerWaalsContact O-CB 3.31Å; P271-A274 WeakPolarHBondContact O-CB 3.49Å; P271-A274 PolarHBondContact O-N 3.2Å |
| 272 | L | 70.8 | Confident | 64.5 | Low | 133 Ų | 133 | 119.2 Ų | 119.2 | 70% | 0.696 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -51.1 | -32.7 | -174.9 | -82.9 | 160 | 0 | 0 | 0 | 114 | A274 L275 F276 | L272-A274 PolarHBondContact O-N 2.83Å; L272-A274 VanDerWaalsContact O-N 3.16Å; L272-L275 PolarHBondContact O-N 3.29Å; L272-L275 VanDerWaalsContact O-N 3.11Å; L272-F276 WeakPolarHBondContact O-CD2 3.18Å |
| 273 | S | 69.1 | Low | 64.7 | Low | 78 Ų | 78 | 115.7 Ų | 115.7 | 55% | 0.545 | 63% | 0.633 | S | S | . | * | G | 310 helix | trans | -61 | -17.6 | 176.4 | 48 | 0 | 0 | 0 | 0 | 114.8 | P271 N277 | P271-S273 PolarHBondContact O-N 2.79Å; S273-N277 PolarHBondContact O-ND2 3.1Å |
| 274 | A | 63.9 | Low | 64.9 | Low | 51 Ų | 51 | 117.9 Ų | 117.9 | 42% | 0.421 | 63% | 0.628 | S | S | . | * | G | 310 helix | trans | -72.6 | -30.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L270 P271 L272 | L270-A274 HydrophobicContact CD2-CB 4.46Å; P271-A274 VanDerWaalsContact O-CB 3.31Å; P271-A274 WeakPolarHBondContact O-CB 3.49Å; P271-A274 PolarHBondContact O-N 3.2Å; L272-A274 PolarHBondContact O-N 2.83Å; L272-A274 VanDerWaalsContact O-N 3.16Å |
| 275 | L | 63.9 | Low | 65.7 | Low | 119 Ų | 119 | 114.4 Ų | 114.4 | 62% | 0.623 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -21.2 | -177.1 | -68.7 | 171.3 | 0 | 0 | 0 | 113.5 | L272 | L272-L275 PolarHBondContact O-N 3.29Å; L272-L275 VanDerWaalsContact O-N 3.11Å |
| 276 | F | 66.8 | Low | 65.8 | Low | 173 Ų | 173 | 114.9 Ų | 114.9 | 76% | 0.759 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -3.7 | -176.9 | -67.3 | -77.8 | 0 | 0 | 0 | 114.7 | L272 | L272-F276 WeakPolarHBondContact O-CD2 3.18Š|
| 277 | N | 55.6 | Low | 65.4 | Low | 124 Ų | 124 | 115.8 Ų | 115.8 | 66% | 0.663 | 62% | 0.618 | S | S | * | * | | | trans | -110.3 | 13.4 | -173.9 | -81.9 | -67 | 0 | 0 | 0 | 114.5 | S273 P279 | S273-N277 PolarHBondContact O-ND2 3.1Å; N277-P279 WeakPolarHBondContact O-CD 3.44Å |
| 278 | W | 64.8 | Low | 65.2 | Low | 197 Ų | 197 | 115.3 Ų | 115.3 | 75% | 0.746 | 62% | 0.621 | S | S | * | * | | | trans | -79.8 | 110.6 | -177.5 | -160.7 | 11.1 | 0 | 0 | 0 | 110.9 | E280 | W278-E280 VanDerWaalsContact C-N 3.25Å; W278-E280 PolarHBondContact NE1-OE2 3.36Å; W278-E280 PolarHBondContact O-N 3.44Å |
| 279 | P | 57.7 | Low | 65.2 | Low | 104 Ų | 104 | 120 Ų | 120 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -79 | -2.5 | -166.3 | -15.6 | 32.8 | 0 | 0 | 0 | 115.1 | N277 A281 | N277-P279 WeakPolarHBondContact O-CD 3.44Å; P279-A281 VanDerWaalsContact C-N 3.3Å; P279-A281 PolarHBondContact O-N 3.16Å |
| 280 | E | 58.4 | Low | 65 | Low | 132 Ų | 132 | 116.7 Ų | 116.7 | 62% | 0.617 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -79 | -10.3 | -158.3 | -137.9 | 160.1 | 167.3 | 0 | 0 | 114.2 | W278 V282 | W278-E280 VanDerWaalsContact C-N 3.25Å; W278-E280 PolarHBondContact NE1-OE2 3.36Å; W278-E280 PolarHBondContact O-N 3.44Å; E280-V282 VanDerWaalsContact C-N 3.28Å; E280-V282 PolarHBondContact O-N 3.13Å |
| 281 | A | 56.7 | Low | 64.3 | Low | 74 Ų | 74 | 122.8 Ų | 122.8 | 61% | 0.612 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -72.5 | -14.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P279 H283 L284 | P279-A281 VanDerWaalsContact C-N 3.3Å; P279-A281 PolarHBondContact O-N 3.16Å; A281-H283 PolarHBondContact O-N 2.89Å; A281-L284 PolarHBondContact O-N 3Å |
| 282 | V | 57.1 | Low | 63.3 | Low | 107 Ų | 107 | 123 Ų | 123 | 65% | 0.648 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -63.3 | -38.9 | -174.3 | 178.4 | 0 | 0 | 0 | 0 | 112.2 | E280 L284 | E280-V282 VanDerWaalsContact C-N 3.28Å; E280-V282 PolarHBondContact O-N 3.13Å; V282-L284 PolarHBondContact O-N 3.11Å |
| 283 | H | 61.6 | Low | 63 | Low | 131 Ų | 131 | 122.2 Ų | 122.2 | 61% | 0.606 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -83.2 | -8.1 | -174.5 | -62.9 | -52.6 | 0 | 0 | 0 | 115 | A281 G285 D286 | A281-H283 PolarHBondContact O-N 2.89Å; H283-G285 VanDerWaalsContact C-N 3.27Å; H283-G285 PolarHBondContact O-N 3.16Å; H283-D286 IonicContact ND1-OD2 3.49Å; H283-D286 PolarHBondContact O-N 3.24Å |
| 284 | L | 62.8 | Low | 62.3 | Low | 114 Ų | 114 | 124 Ų | 124 | 60% | 0.597 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.8 | -22 | 174.4 | -74.4 | 169 | 0 | 0 | 0 | 112.7 | A281 V282 | A281-L284 PolarHBondContact O-N 3Å; V282-L284 PolarHBondContact O-N 3.11Å |
| 285 | G | 73.2 | Confident | 61.8 | Low | 48 Ų | 48 | 128.5 Ų | 128.5 | 50% | 0.495 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -68.9 | -37.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H283 | H283-G285 VanDerWaalsContact C-N 3.27Å; H283-G285 PolarHBondContact O-N 3.16Å |
| 286 | D | 66.7 | Low | 61 | Low | 87 Ų | 87 | 127.3 Ų | 127.3 | 47% | 0.465 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -74 | -40.1 | -176.4 | -63.2 | -44.9 | 0 | 0 | 0 | 112.1 | H283 L288 R289 I290 | H283-D286 IonicContact ND1-OD2 3.49Å; H283-D286 PolarHBondContact O-N 3.24Å; D286-L288 VanDerWaalsContact C-N 3.31Å; D286-L288 PolarHBondContact O-N 3.27Å; D286-R289 VanDerWaalsContact O-CB 3.32Å; D286-R289 WeakPolarHBondContact O-CB 3.31Å; D286-R289 PolarHBondContact O-N 2.86Å; D286-I290 PolarHBondContact O-N 3.45Å |
| 287 | L | 60.3 | Low | 60.4 | Low | 116 Ų | 116 | 124.9 Ų | 124.9 | 61% | 0.607 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -59.1 | -38.8 | 177.8 | -84.4 | 161.8 | 0 | 0 | 0 | 113 | R289 I290 | L287-R289 PolarHBondContact O-N 3.27Å; L287-I290 PolarHBondContact O-N 3.44Å |
| 288 | L | 65.1 | Low | 60.2 | Low | 143 Ų | 143 | 121.8 Ų | 121.8 | 75% | 0.749 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -73.2 | -16.8 | 176.6 | -67.8 | 176.4 | 0 | 0 | 0 | 113.2 | D286 | D286-L288 VanDerWaalsContact C-N 3.31Å; D286-L288 PolarHBondContact O-N 3.27Å |
| 289 | R | 65.6 | Low | 59.1 | Low | 203 Ų | 203 | 120.9 Ų | 120.9 | 77% | 0.766 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -83.6 | -13.2 | 178.6 | -153.7 | 175.2 | -171.5 | 177.4 | 2.1 | 113.4 | D286 L287 S292 | D286-R289 VanDerWaalsContact O-CB 3.32Å; D286-R289 WeakPolarHBondContact O-CB 3.31Å; D286-R289 PolarHBondContact O-N 2.86Å; L287-R289 PolarHBondContact O-N 3.27Å; R289-S292 PolarHBondContact O-OG 3.36Å |
| 290 | I | 66.7 | Low | 58.7 | Low | 139 Ų | 139 | 120.5 Ų | 120.5 | 71% | 0.713 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -92 | -22.5 | 179.7 | -61.5 | 166.5 | 0 | 0 | 0 | 111.4 | D286 L287 S292 | D286-I290 PolarHBondContact O-N 3.45Å; L287-I290 PolarHBondContact O-N 3.44Å; I290-S292 PolarHBondContact O-N 3.45Å |
| 291 | W | 66.2 | Low | 58 | Low | 221 Ų | 221 | 119 Ų | 119 | 84% | 0.837 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -82.6 | -7.4 | -176.3 | -151.2 | -81.1 | 0 | 0 | 0 | 114.5 | V293 | W291-V293 PolarHBondContact O-N 3.1Š|
| 292 | S | 55.6 | Low | 57.3 | Low | 89 Ų | 89 | 125.7 Ų | 125.7 | 62% | 0.622 | 71% | 0.714 | S | S | * | * | | | trans | -78.1 | 82.4 | 175.8 | 57.3 | 0 | 0 | 0 | 0 | 111.2 | R289 I290 P294 | R289-S292 PolarHBondContact O-OG 3.36Å; I290-S292 PolarHBondContact O-N 3.45Å; S292-P294 WeakPolarHBondContact O-CD 3.32Å |
| 293 | V | 64.4 | Low | 56.6 | Low | 117 Ų | 117 | 126.4 Ų | 126.4 | 71% | 0.709 | 72% | 0.722 | S | S | * | * | | | trans | -58 | 120.3 | 178.1 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | W291 N295 | W291-V293 PolarHBondContact O-N 3.1Å; V293-N295 PolarHBondContact O-N 3.26Å |
| 294 | P | 54.7 | Low | 55.9 | Low | 115 Ų | 115 | 123.2 Ų | 123.2 | 75% | 0.747 | 73% | 0.725 | S | S | * | * | | | trans | -78.6 | 99.2 | 172 | 31.2 | -31.3 | 0 | 0 | 0 | 109.1 | S292 A296 | S292-P294 WeakPolarHBondContact O-CD 3.32Å; P294-A296 PolarHBondContact O-N 3.36Å |
| 295 | N | 54.3 | Low | 54.8 | Low | 145 Ų | 145 | 125.1 Ų | 125.1 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | | | trans | -75.2 | 77.3 | 177.9 | -164.6 | 39.2 | 0 | 0 | 0 | 111 | V293 T297 | V293-N295 PolarHBondContact O-N 3.26Å; N295-T297 PolarHBondContact O-N 3.28Å |
| 296 | A | 47.4 | Very low | 53.4 | Low | 94 Ų | 94 | 130.8 Ų | 130.8 | 78% | 0.777 | 75% | 0.753 | S | S | * | * | | | trans | -85.6 | 101.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | P294 | P294-A296 PolarHBondContact O-N 3.36Š|
| 297 | T | 53.9 | Low | 52.4 | Low | 122 Ų | 122 | 132.8 Ų | 132.8 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | trans | -151.9 | 133.7 | 171.4 | -40.4 | 0 | 0 | 0 | 0 | 106.1 | N295 | N295-T297 PolarHBondContact O-N 3.28Š|
| 298 | G | 50.7 | Low | 51.8 | Low | 60 Ų | 60 | 131.8 Ų | 131.8 | 62% | 0.619 | 78% | 0.777 | S | S | * | * | | | cis | 139.5 | 115.3 | 8.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | A300 | G298-A300 PolarHBondContact O-N 2.99Å; G298-A300 VanDerWaalsContact O-N 3.11Å |
| 299 | D | 42.1 | Very low | 51.2 | Low | 178 Ų | 178 | 133 Ų | 133 | 95% | 0.952 | 78% | 0.782 | S | S | * | * | | | trans | -65.8 | 110.7 | -161.8 | -58.7 | -72.6 | 0 | 0 | 0 | 113.5 | | |
| 300 | A | 49.3 | Very low | 50.9 | Low | 95 Ų | 95 | 128.6 Ų | 128.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -149.5 | 118.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | G298 | G298-A300 PolarHBondContact O-N 2.99Å; G298-A300 VanDerWaalsContact O-N 3.11Å |
| 301 | A | 44.4 | Very low | 50.3 | Low | 100 Ų | 100 | 125.4 Ų | 125.4 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | | | trans | -79.9 | 139 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 302 | F | 41.2 | Very low | 49.8 | Very low | 215 Ų | 215 | 123.8 Ų | 123.8 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | | | trans | -141.2 | 143 | 156 | -117.7 | -85.2 | 0 | 0 | 0 | 110.2 | | |
| 303 | C | 43.1 | Very low | 49.6 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | trans | -89.5 | 147 | -175.7 | -162.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 304 | G | 47 | Very low | 49.1 | Very low | 65 Ų | 65 | 123.9 Ų | 123.9 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | | | trans | -176.7 | 120.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 305 | D | 39 | Very low | 49.3 | Very low | 154 Ų | 154 | 123.7 Ų | 123.7 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | | | trans | -76.3 | 130.1 | -166.7 | -54.3 | -82 | 0 | 0 | 0 | 114 | | |
| 306 | I | 43.5 | Very low | 49.5 | Very low | 167 Ų | 167 | 121.8 Ų | 121.8 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | | | trans | -133.3 | 124.6 | 155.9 | -60.4 | -176.6 | 0 | 0 | 0 | 108.2 | | |
| 307 | V | 45.5 | Very low | 49.9 | Very low | 129 Ų | 129 | 124.4 Ų | 124.4 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | | | trans | -71.1 | 127.9 | -175.3 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 308 | A | 47.7 | Very low | 49.6 | Very low | 95 Ų | 95 | 124 Ų | 124 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -97.7 | 116.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S310 | A308-S310 PolarHBondContact O-N 3.5Š|
| 309 | I | 52.5 | Low | 49.9 | Very low | 169 Ų | 169 | 127.9 Ų | 127.9 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | | | trans | -88.3 | 101.9 | 170.1 | -57.4 | 177.3 | 0 | 0 | 0 | 108 | | |
| 310 | S | 59 | Low | 50.3 | Low | 110 Ų | 110 | 125 Ų | 125 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | -96.6 | 123.9 | 174.5 | -173.6 | 0 | 0 | 0 | 0 | 110.4 | A308 | A308-S310 PolarHBondContact O-N 3.5Š|
| 311 | G | 55.1 | Low | 50.5 | Low | 72 Ų | 72 | 130.2 Ų | 130.2 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | | | trans | -114.3 | 116.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 312 | Q | 55.4 | Low | 51 | Low | 186 Ų | 186 | 134.1 Ų | 134.1 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | | | trans | -117.5 | 133.3 | 165.8 | -78.1 | -158 | -39.5 | 0 | 0 | 110.5 | | |
| 313 | P | 52.5 | Low | 51.9 | Low | 126 Ų | 126 | 131 Ų | 131 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -96.4 | 133.8 | 172.6 | 34.7 | -30.1 | 0 | 0 | 0 | 112.6 | | |
| 314 | G | 52.9 | Low | 52.3 | Low | 83 Ų | 83 | 134 Ų | 134 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | | | trans | 66.2 | 95 | 149.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 315 | S | 58.3 | Low | 52.7 | Low | 111 Ų | 111 | 139.4 Ų | 139.4 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -93.2 | 153.2 | 142.4 | -162.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 316 | S | 58.2 | Low | 53.2 | Low | 104 Ų | 104 | 137.5 Ų | 137.5 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | -144.8 | 84.8 | -175.5 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 317 | D | 56.3 | Low | 53.6 | Low | 149 Ų | 149 | 137.3 Ų | 137.3 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | | | trans | -108.8 | 125.3 | 172.7 | -67.6 | -64.1 | 0 | 0 | 0 | 110.1 | | |
| 318 | C | 48.7 | Very low | 53.7 | Low | 113 Ų | 113 | 136.8 Ų | 136.8 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | | | trans | -134.7 | 95.3 | -173.8 | -71.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 319 | V | 55.6 | Low | 54.1 | Low | 142 Ų | 142 | 135.3 Ų | 135.3 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | | | trans | -152.1 | 160.3 | 160.8 | -114.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 320 | P | 51.3 | Low | 54.1 | Low | 119 Ų | 119 | 134.3 Ų | 134.3 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | | -113.6 | 177.6 | -109.1 | 40.9 | -31.9 | 0 | 0 | 0 | 114.1 | | |
| 321 | Y | 54.2 | Low | 54 | Low | 204 Ų | 204 | 133.3 Ų | 133.3 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | | | trans | -121.9 | 123.5 | 172.1 | -153.7 | -97.6 | 0 | 0 | 0 | 111.3 | E323 | Y321-E323 HydrophobicContact CD1-CB 4.39Å; Y321-E323 HydrophobicContact CE1-CB 4.17Å |
| 322 | E | 55.1 | Low | 53.8 | Low | 182 Ų | 182 | 137.7 Ų | 137.7 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | trans | -103 | 122.2 | 169.7 | -86.7 | -91.4 | 133.6 | 0 | 0 | 108.2 | | |
| 323 | E | 58.3 | Low | 53.8 | Low | 150 Ų | 150 | 131.8 Ų | 131.8 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | trans | -117.7 | 143.1 | 166.9 | -171.3 | 164.7 | -173 | 0 | 0 | 111.8 | Y321 | Y321-E323 HydrophobicContact CD1-CB 4.39Å; Y321-E323 HydrophobicContact CE1-CB 4.17Å |
| 324 | K | 51.7 | Low | 53.8 | Low | 183 Ų | 183 | 131.6 Ų | 131.6 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | | | trans | -138.4 | 111.1 | -157.3 | 172 | -174 | 179.1 | 175.9 | 0 | 111.4 | | |
| 325 | K | 56.3 | Low | 53.8 | Low | 180 Ų | 180 | 133.3 Ų | 133.3 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | | | trans | 178.6 | 149.8 | 170.7 | -95 | 139.5 | -177.8 | 177.3 | 0 | 109 | | |
| 326 | T | 49.2 | Very low | 53.8 | Low | 113 Ų | 113 | 134.1 Ų | 134.1 | 69% | 0.693 | 79% | 0.787 | S | S | * | * | | | cis | -167.1 | 155.9 | -33.6 | -10.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 327 | L | 51.4 | Low | 53.3 | Low | 164 Ų | 164 | 134.4 Ų | 134.4 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | | | trans | 69 | 151.3 | 164.2 | -59.1 | 162.7 | 0 | 0 | 0 | 115.7 | | |
| 328 | S | 48.1 | Very low | 53.3 | Low | 118 Ų | 118 | 131.5 Ų | 131.5 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | cis | -166.7 | 148.5 | -11.9 | 44.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 329 | G | 55.8 | Low | 53.3 | Low | 63 Ų | 63 | 134.9 Ų | 134.9 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | | | trans | 137.4 | 119.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 330 | T | 52.6 | Low | 53.1 | Low | 148 Ų | 148 | 132.5 Ų | 132.5 | 91% | 0.908 | 78% | 0.78 | S | S | * | * | | | | 58.3 | 122.9 | 64.4 | 66.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 331 | A | 56.3 | Low | 53.4 | Low | 89 Ų | 89 | 134.8 Ų | 134.8 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | | | cis | -164 | -179 | -7.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 332 | D | 52.3 | Low | 53.6 | Low | 165 Ų | 165 | 130 Ų | 130 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | | | cis | -158.5 | -171.9 | 0.8 | -152.2 | -82.5 | 0 | 0 | 0 | 108.5 | | |
| 333 | G | 53.9 | Low | 53.4 | Low | 61 Ų | 61 | 132.9 Ų | 132.9 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | | | trans | 144.8 | 116.7 | 155.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 334 | C | 52.9 | Low | 53 | Low | 123 Ų | 123 | 129.8 Ų | 129.8 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | | | trans | 59.2 | 84.5 | 148.9 | -72.1 | 0 | 0 | 0 | 0 | 121.7 | | |
| 335 | S | 54.5 | Low | 53.6 | Low | 118 Ų | 118 | 127.3 Ų | 127.3 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | | 59.6 | 141.8 | 115.5 | -54.7 | 0 | 0 | 0 | 0 | 123.5 | | |
| 336 | P | 56.3 | Low | 53.5 | Low | 129 Ų | 129 | 125.1 Ų | 125.1 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | | | trans | -112.4 | 173 | -175.5 | 43 | -36 | 0 | 0 | 0 | 115.7 | | |
| 337 | S | 49.5 | Very low | 53.8 | Low | 109 Ų | 109 | 124.7 Ų | 124.7 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | trans | -160.9 | 145.9 | 147.9 | -149.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 338 | S | 55 | Low | 53.9 | Low | 88 Ų | 88 | 128.2 Ų | 128.2 | 62% | 0.615 | 79% | 0.787 | S | S | * | * | | | trans | 12.8 | 146.6 | 141.9 | 64.1 | 0 | 0 | 0 | 0 | 121.3 | | |
| 339 | E | 50.1 | Low | 53.8 | Low | 184 Ų | 184 | 126.8 Ų | 126.8 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | cis | -171 | -177.2 | 5.8 | -124.9 | 179.2 | 106.8 | 0 | 0 | 113.7 | | |
| 340 | A | 49.8 | Very low | 53.7 | Low | 93 Ų | 93 | 129.6 Ų | 129.6 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | 71.9 | 107.8 | 151 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 341 | L | 58.8 | Low | 53.8 | Low | 167 Ų | 167 | 127.2 Ų | 127.2 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | -77.8 | -165 | 155.6 | -64.1 | 161.9 | 0 | 0 | 0 | 110.2 | | |
| 342 | P | 57.2 | Low | 53.6 | Low | 102 Ų | 102 | 134.8 Ų | 134.8 | 66% | 0.662 | 79% | 0.791 | S | S | * | * | | | cis | -144.8 | -179.1 | -1.2 | 32.5 | -7.6 | 0 | 0 | 0 | 118.9 | | |
| 343 | R | 50.7 | Low | 53.6 | Low | 244 Ų | 244 | 130.5 Ų | 130.5 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | | | trans | 86.7 | 147.4 | 143.7 | -86.1 | 162.6 | -170.8 | 179.6 | 3.4 | 122 | | |
| 344 | A | 50.8 | Low | 53.7 | Low | 85 Ų | 85 | 134.4 Ų | 134.4 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | | | trans | -121.8 | -178.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 345 | P | 63.7 | Low | 53.5 | Low | 131 Ų | 131 | 140.2 Ų | 140.2 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | -145.2 | 165.5 | 132.4 | 38.3 | -23.7 | 0 | 0 | 0 | 116.2 | | |
| 346 | V | 53.7 | Low | 53.4 | Low | 133 Ų | 133 | 138.6 Ų | 138.6 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | | | trans | -154.7 | 141.1 | 176 | -138.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 347 | P | 56.1 | Low | 53.2 | Low | 105 Ų | 105 | 139.8 Ų | 139.8 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | | | | -163.1 | -171 | 90.4 | 43.6 | -22.6 | 0 | 0 | 0 | 117.3 | | |
| 348 | R | 53.9 | Low | 53.7 | Low | 238 Ų | 238 | 140.2 Ų | 140.2 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | | | trans | 77.8 | 159.8 | 153.9 | -71.1 | 171.8 | 177 | 170.4 | -2 | 120.3 | | |
| 349 | A | 46.9 | Very low | 53.4 | Low | 87 Ų | 87 | 139.7 Ų | 139.7 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | | | cis | -179.9 | 174.8 | -31.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 350 | S | 53 | Low | 53.8 | Low | 123 Ų | 123 | 139.1 Ų | 139.1 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | 75.5 | 151.3 | 173.5 | -99.6 | 0 | 0 | 0 | 0 | 117.1 | | |
| 351 | S | 54.8 | Low | 54.3 | Low | 98 Ų | 98 | 143.3 Ų | 143.3 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | | | cis | -163.5 | 151.2 | -3.3 | 56.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 352 | R | 52.5 | Low | 54.4 | Low | 248 Ų | 248 | 139.4 Ų | 139.4 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | | | trans | 41.3 | 152.4 | 143.8 | -71.3 | -177.5 | 167.2 | 173.1 | -4.4 | 122.1 | | |
| 353 | A | 52.3 | Low | 54.9 | Low | 74 Ų | 74 | 140.6 Ų | 140.6 | 61% | 0.612 | 80% | 0.8 | S | S | * | * | | | cis | -178.3 | 169.6 | -18.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 354 | N | 55.8 | Low | 55.6 | Low | 144 Ų | 144 | 140.2 Ų | 140.2 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | | | trans | 89.8 | 120.1 | 156.2 | -59 | -30.4 | 0 | 0 | 0 | 121.8 | | |
| 355 | R | 48.4 | Very low | 56.1 | Low | 244 Ų | 244 | 142.1 Ų | 142.1 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | | | | 39.4 | 146 | 122.1 | -81.9 | 177.1 | 177.2 | 155.8 | -1.7 | 120.8 | | |
| 356 | A | 52.1 | Low | 56.3 | Low | 84 Ų | 84 | 147.6 Ų | 147.6 | 69% | 0.694 | 81% | 0.808 | S | S | * | * | | | cis | -160.8 | 140.2 | 4.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 357 | D | 52.9 | Low | 56.2 | Low | 155 Ų | 155 | 151.4 Ų | 151.4 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | | | | 89.9 | 154.8 | 99.8 | -166 | 24.3 | 0 | 0 | 0 | 114.9 | | |
| 358 | S | 59.9 | Low | 56.4 | Low | 117 Ų | 117 | 158.1 Ų | 158.1 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | | | trans | 63.5 | 142.4 | -161 | 72.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 359 | G | 48.3 | Very low | 56.7 | Low | 78 Ų | 78 | 155.6 Ų | 155.6 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | | | cis | 148.8 | 95 | -11.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 360 | D | 57.2 | Low | 57.2 | Low | 171 Ų | 171 | 157.1 Ų | 157.1 | 91% | 0.914 | 83% | 0.826 | S | S | * | * | | | trans | -147.9 | 157.2 | -179.8 | -143.3 | -27.5 | 0 | 0 | 0 | 112.7 | | |
| 361 | E | 61 | Low | 57.7 | Low | 181 Ų | 181 | 158.5 Ų | 158.5 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | | | trans | -107.5 | 131.6 | -155.9 | -164.9 | 176.7 | 139.6 | 0 | 0 | 115 | | |
| 362 | A | 60.2 | Low | 58.1 | Low | 86 Ų | 86 | 160 Ų | 160 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 128.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 363 | P | 68.7 | Low | 58.7 | Low | 127 Ų | 127 | 156.4 Ų | 156.4 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -76 | 137.8 | -176.1 | 29.8 | -35.2 | 0 | 0 | 0 | 113.6 | | |
| 364 | R | 65.3 | Low | 59.2 | Low | 235 Ų | 235 | 158.7 Ų | 158.7 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 143.3 | -179.8 | -63.2 | -176.9 | -178.2 | -170.4 | 0.8 | 113 | | |
| 365 | P | 60.8 | Low | 59.9 | Low | 126 Ų | 126 | 159.9 Ų | 159.9 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 138.3 | 177.7 | 29.7 | -35 | 0 | 0 | 0 | 112.6 | | |
| 366 | R | 67.6 | Low | 60.6 | Low | 245 Ų | 245 | 155.3 Ų | 155.3 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 131.1 | 172.9 | -71.3 | -177.3 | 174.4 | -179.7 | -1.2 | 111 | | |
| 367 | K | 51.8 | Low | 60.8 | Low | 213 Ų | 213 | 160 Ų | 160 | 93% | 0.926 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 134.8 | 170.5 | -65.8 | -177.5 | 176.9 | -176.9 | 0 | 110.4 | | |
| 368 | R | 61.5 | Low | 61.1 | Low | 247 Ų | 247 | 158.3 Ų | 158.3 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 151.5 | 163 | -68.3 | -173.1 | 176.7 | -158.5 | 0.4 | 109.8 | | |
| 369 | Q | 60.4 | Low | 60.5 | Low | 184 Ų | 184 | 158.5 Ų | 158.5 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 156.3 | 166.6 | -73.1 | -163.5 | 4 | 0 | 0 | 110.6 | | |
| 370 | P | 56.9 | Low | 60.5 | Low | 119 Ų | 119 | 166 Ų | 166 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 143.8 | 177.4 | 32 | -34.8 | 0 | 0 | 0 | 112.7 | | |
| 371 | E | 63.7 | Low | 60.3 | Low | 153 Ų | 153 | 163.6 Ų | 163.6 | 72% | 0.715 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 124.5 | 166.5 | -69.4 | -174.3 | 171.3 | 0 | 0 | 110.6 | R373 | E371-R373 IonicContact OE2-CZ 3.73Å; E371-R373 IonicContact OE2-NE 3.53Å; E371-R373 IonicContact OE2-NH2 2.99Å; E371-R373 PolarHBondContact OE2-NH2 3.16Å |
| 372 | T | 63.6 | Low | 60 | Low | 130 Ų | 130 | 159.1 Ų | 159.1 | 80% | 0.798 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 118.9 | 169.4 | -55.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 373 | R | 65.3 | Low | 60.2 | Low | 172 Ų | 172 | 161.1 Ų | 161.1 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | | | trans | -105.2 | 130.1 | 172.6 | -64.3 | -175.1 | -177.2 | -168.4 | -0.3 | 110.4 | E371 Y375 | E371-R373 IonicContact OE2-CZ 3.73Å; E371-R373 IonicContact OE2-NE 3.53Å; E371-R373 IonicContact OE2-NH2 2.99Å; E371-R373 PolarHBondContact OE2-NH2 3.16Å; R373-Y375 HydrophobicContact CB-CE2 4.07Å |
| 374 | V | 62.7 | Low | 59.6 | Low | 122 Ų | 122 | 161.9 Ų | 161.9 | 74% | 0.739 | 81% | 0.808 | S | S | * | * | | | trans | -107.5 | 125.7 | 175.9 | 179.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 375 | Y | 69.4 | Low | 59.3 | Low | 169 Ų | 169 | 155.4 Ų | 155.4 | 66% | 0.663 | 81% | 0.805 | S | S | * | * | | | trans | -105.6 | 131.5 | 174.5 | -67 | -88.5 | 0 | 0 | 0 | 109.6 | R373 | R373-Y375 HydrophobicContact CB-CE2 4.07Š|
| 376 | I | 62.6 | Low | 59.2 | Low | 147 Ų | 147 | 153.9 Ų | 153.9 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | | | trans | -111.8 | 115 | 174.8 | -58.8 | 176.1 | 0 | 0 | 0 | 107.6 | V378 | I376-V378 HydrophobicContact CG2-CG2 4.23Š|
| 377 | F | 57.6 | Low | 58.5 | Low | 184 Ų | 184 | 148.7 Ų | 148.7 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | | | trans | -94.3 | 126.1 | 173.7 | -71.2 | -88.6 | 0 | 0 | 0 | 109.8 | | |
| 378 | V | 58 | Low | 59 | Low | 118 Ų | 118 | 142 Ų | 142 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | | | trans | -113.5 | 97 | 176.2 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | I376 R380 | I376-V378 HydrophobicContact CG2-CG2 4.23Å; V378-R380 PolarHBondContact O-N 3.12Å |
| 379 | S | 47.3 | Very low | 58.3 | Low | 122 Ų | 122 | 139.7 Ų | 139.7 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | trans | -72.9 | 120.9 | 173 | -60.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 380 | R | 49.1 | Very low | 57.8 | Low | 235 Ų | 235 | 139.2 Ų | 139.2 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | | | trans | -99.5 | 114.1 | 166.2 | -76.5 | -175.7 | 171.1 | -174.9 | -2.3 | 109.4 | V378 | V378-R380 PolarHBondContact O-N 3.12Š|
| 381 | S | 53.4 | Low | 57.6 | Low | 120 Ų | 120 | 137.6 Ų | 137.6 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | | | trans | -75.3 | 138.5 | 157.5 | 44.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 382 | A | 54.7 | Low | 56.9 | Low | 87 Ų | 87 | 137.8 Ų | 137.8 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | | | trans | -108.7 | 126.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | T384 | A382-T384 PolarHBondContact O-N 3.4Š|
| 383 | P | 64.6 | Low | 56.4 | Low | 129 Ų | 129 | 138 Ų | 138 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | -81.5 | 115.9 | 175.3 | 31.1 | -31.8 | 0 | 0 | 0 | 110.7 | | |
| 384 | T | 56.1 | Low | 55.8 | Low | 142 Ų | 142 | 135.6 Ų | 135.6 | 87% | 0.871 | 79% | 0.792 | S | S | * | * | | | trans | -91.7 | 97.3 | 171.9 | 42.9 | 0 | 0 | 0 | 0 | 111.5 | A382 | A382-T384 PolarHBondContact O-N 3.4Š|
| 385 | A | 58 | Low | 55.1 | Low | 100 Ų | 100 | 138 Ų | 138 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | | | trans | -154.1 | 143.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 386 | A | 59.6 | Low | 54.4 | Low | 93 Ų | 93 | 136.1 Ų | 136.1 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -85.1 | 154.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 387 | P | 51.6 | Low | 53.9 | Low | 136 Ų | 136 | 132.9 Ų | 132.9 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | -74.9 | 132.9 | 172.5 | 31.2 | -33.6 | 0 | 0 | 0 | 111.2 | | |
| 388 | G | 63.6 | Low | 53.6 | Low | 74 Ų | 74 | 131.1 Ų | 131.1 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | | | trans | -119.1 | 144.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 389 | E | 46.8 | Very low | 53.2 | Low | 198 Ų | 198 | 135 Ų | 135 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | | | trans | -68.8 | 133.9 | -175.6 | -59.4 | -179.9 | 116.8 | 0 | 0 | 112.8 | | |
| 390 | L | 49.3 | Very low | 53.4 | Low | 174 Ų | 174 | 139 Ų | 139 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | | | trans | -141.7 | 140.6 | 160.3 | -83.6 | 177.8 | 0 | 0 | 0 | 110.3 | | |
| 391 | S | 52 | Low | 53.5 | Low | 85 Ų | 85 | 133 Ų | 133 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | | | trans | -67.2 | 152.3 | -170.3 | -165.4 | 0 | 0 | 0 | 0 | 114.1 | D393 | S391-D393 VanDerWaalsContact C-N 3.28Å; S391-D393 PolarHBondContact O-N 3.29Å; S391-D393 PolarHBondContact OG-OD2 3.08Å |
| 392 | L | 50.2 | Low | 53.3 | Low | 157 Ų | 157 | 134.4 Ų | 134.4 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -70.3 | -17.7 | -175.1 | -164.9 | 62.4 | 0 | 0 | 0 | 114.1 | T394 | L392-T394 PolarHBondContact O-N 3.38Š|
| 393 | D | 53 | Low | 53 | Low | 135 Ų | 135 | 138.6 Ų | 138.6 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -72.5 | -19.2 | -165.3 | -58.3 | -63.8 | 0 | 0 | 0 | 115.5 | S391 | S391-D393 VanDerWaalsContact C-N 3.28Å; S391-D393 PolarHBondContact O-N 3.29Å; S391-D393 PolarHBondContact OG-OD2 3.08Å |
| 394 | T | 53.3 | Low | 52.2 | Low | 120 Ų | 120 | 139.5 Ų | 139.5 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -80.3 | -20.8 | -172.4 | -50 | 0 | 0 | 0 | 0 | 113.3 | L392 N396 | L392-T394 PolarHBondContact O-N 3.38Å; T394-N396 PolarHBondContact O-N 3.03Å |
| 395 | F | 46.9 | Very low | 51.7 | Low | 173 Ų | 173 | 141.3 Ų | 141.3 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -16.6 | -163.8 | -153.3 | -99.2 | 0 | 0 | 0 | 115.5 | | |
| 396 | N | 53.9 | Low | 51.2 | Low | 129 Ų | 129 | 140.3 Ų | 140.3 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -14.9 | -176.3 | -87.8 | -53.3 | 0 | 0 | 0 | 115.1 | T394 | T394-N396 PolarHBondContact O-N 3.03Š|
| 397 | A | 53.4 | Low | 50.5 | Low | 79 Ų | 79 | 143.9 Ų | 143.9 | 65% | 0.653 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -46.2 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | R399 | A397-R399 VanDerWaalsContact C-N 3.28Å; A397-R399 PolarHBondContact O-N 3.35Å |
| 398 | H | 50.6 | Low | 50.1 | Low | 147 Ų | 147 | 141.3 Ų | 141.3 | 68% | 0.681 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -4.9 | -166.8 | -142.4 | 13.6 | 0 | 0 | 0 | 114.8 | | |
| 399 | R | 49.7 | Very low | 49.1 | Very low | 200 Ų | 200 | 147.2 Ų | 147.2 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -4.5 | -172.8 | -151.8 | 175.9 | -176.2 | -175.6 | 2 | 114.5 | A397 | A397-R399 VanDerWaalsContact C-N 3.28Å; A397-R399 PolarHBondContact O-N 3.35Å |
| 400 | R | 52.2 | Low | 49 | Very low | 206 Ų | 206 | 146.7 Ų | 146.7 | 78% | 0.777 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -40.5 | 179.4 | -80.5 | -177.2 | 165.8 | 135.8 | -1.5 | 113.8 | L402 F403 | R400-L402 PolarHBondContact O-N 3.33Å; R400-F403 PolarHBondContact O-N 3.45Å |
| 401 | D | 49.8 | Very low | 48.7 | Very low | 109 Ų | 109 | 149.9 Ų | 149.9 | 58% | 0.583 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -70.5 | -31.6 | -172.1 | -54.7 | -46 | 0 | 0 | 0 | 113.1 | F403 L404 | D401-F403 PolarHBondContact O-N 3.4Å; D401-L404 PolarHBondContact O-N 3.21Å |
| 402 | L | 50.4 | Low | 48.2 | Very low | 149 Ų | 149 | 151.4 Ų | 151.4 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -66 | -15.2 | 177.1 | -88 | 161.5 | 0 | 0 | 0 | 114.5 | R400 | R400-L402 PolarHBondContact O-N 3.33Š|
| 403 | F | 47.3 | Very low | 48.1 | Very low | 175 Ų | 175 | 152.4 Ų | 152.4 | 77% | 0.768 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -91.6 | -15.7 | -177.1 | -139.6 | -93.4 | 0 | 0 | 0 | 114.1 | R400 D401 | R400-F403 PolarHBondContact O-N 3.45Å; D401-F403 PolarHBondContact O-N 3.4Å |
| 404 | L | 49.3 | Very low | 47.6 | Very low | 148 Ų | 148 | 154.2 Ų | 154.2 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -84.9 | -17.1 | -178.7 | -79 | 167.5 | 0 | 0 | 0 | 114 | D401 A406 | D401-L404 PolarHBondContact O-N 3.21Å; L404-A406 PolarHBondContact O-N 3.28Å |
| 405 | H | 45.5 | Very low | 47.7 | Very low | 181 Ų | 181 | 154.9 Ų | 154.9 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -75.6 | -0.2 | 177.3 | -103.8 | -84.1 | 0 | 0 | 0 | 114.8 | | |
| 406 | A | 47 | Very low | 47.6 | Very low | 78 Ų | 78 | 154.9 Ų | 154.9 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -87.2 | 1.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116 | L404 | L404-A406 PolarHBondContact O-N 3.28Š|
| 407 | L | 44.5 | Very low | 47.5 | Very low | 168 Ų | 168 | 153.3 Ų | 153.3 | 88% | 0.88 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -125.8 | 21.7 | -166.3 | -75.9 | 176.3 | 0 | 0 | 0 | 116.6 | | |
| 408 | A | 43.8 | Very low | 47.3 | Very low | 83 Ų | 83 | 161 Ų | 161 | 69% | 0.686 | 78% | 0.784 | S | S | * | * | | | trans | -139.3 | 99.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 409 | F | 41.5 | Very low | 47 | Very low | 198 Ų | 198 | 160.9 Ų | 160.9 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | | | trans | -172.5 | 146.7 | 138.2 | -117.2 | -83.1 | 0 | 0 | 0 | 112.2 | | |
| 410 | K | 46.1 | Very low | 46.9 | Very low | 186 Ų | 186 | 163.5 Ų | 163.5 | 81% | 0.809 | 80% | 0.798 | S | S | * | * | | | trans | 56.8 | 92.4 | 164.7 | -83.4 | 164.6 | -177 | 179.3 | 0 | 120.4 | | |
| 411 | R | 42.4 | Very low | 46.7 | Very low | 242 Ų | 242 | 161.5 Ų | 161.5 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | | | | -97.2 | 170.9 | 116 | -72.9 | -171.6 | -176.8 | -169.7 | 2.9 | 107.4 | | |
| 412 | P | 41.2 | Very low | 46.9 | Very low | 116 Ų | 116 | 165.5 Ų | 165.5 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | | | cis | -137.8 | 177.1 | 13.1 | 44.5 | -28.2 | 0 | 0 | 0 | 116.1 | | |
| 413 | Q | 48.2 | Very low | 47.1 | Very low | 179 Ų | 179 | 168.9 Ų | 168.9 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | | | | -165.7 | 145.5 | 113.4 | -103.8 | -173 | 10.2 | 0 | 0 | 110.8 | | |
| 414 | Q | 43.1 | Very low | 47.7 | Very low | 172 Ų | 172 | 166.4 Ų | 166.4 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | trans | -100.8 | 147.1 | 162.7 | -79 | -176.6 | -22 | 0 | 0 | 108.6 | | |
| 415 | V | 54.3 | Low | 47.6 | Very low | 134 Ų | 134 | 165.2 Ų | 165.2 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | | | trans | -126.9 | 132 | 164.6 | 179 | 0 | 0 | 0 | 0 | 108.6 | | |
| 416 | H | 45.8 | Very low | 47.8 | Very low | 173 Ų | 173 | 160.8 Ų | 160.8 | 80% | 0.801 | 82% | 0.823 | S | S | * | * | | | trans | -85.5 | 132.3 | 176.8 | -96.1 | 36.3 | 0 | 0 | 0 | 111.6 | | |
| 417 | A | 51.7 | Low | 47.9 | Very low | 96 Ų | 96 | 160.8 Ų | 160.8 | 79% | 0.793 | 83% | 0.831 | S | S | * | * | | | trans | -146.8 | 85.1 | 156.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 418 | R | 49.6 | Very low | 48 | Very low | 241 Ų | 241 | 161.7 Ų | 161.7 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | | | | 66.8 | 120.1 | 95.1 | -102.4 | -174 | 173.6 | 166.8 | 0.4 | 115.4 | | |
| 419 | D | 44.3 | Very low | 48.2 | Very low | 145 Ų | 145 | 163.8 Ų | 163.8 | 78% | 0.775 | 83% | 0.834 | S | S | * | * | | | trans | -45.6 | 148.8 | 178.9 | -57.7 | -90.9 | 0 | 0 | 0 | 117.2 | | |
| 420 | R | 48 | Very low | 48.5 | Very low | 254 Ų | 254 | 162.5 Ų | 162.5 | 96% | 0.958 | 83% | 0.831 | S | S | * | * | | | | -156.6 | 87.7 | 121.7 | -108.5 | 171.1 | -172 | -172.4 | 2.4 | 111.2 | | |
| 421 | Q | 46.8 | Very low | 48.5 | Very low | 164 Ų | 164 | 158.1 Ų | 158.1 | 77% | 0.766 | 83% | 0.829 | S | S | * | * | | | trans | -81.5 | 132.5 | 155.9 | -76.6 | -163 | 12.7 | 0 | 0 | 109.4 | | |
| 422 | Q | 54.5 | Low | 49 | Very low | 193 Ų | 193 | 158.3 Ų | 158.3 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | | | trans | -128.8 | 101.8 | 160.5 | -126.2 | 176.5 | -4.8 | 0 | 0 | 108.3 | | |
| 423 | R | 54.5 | Low | 49.1 | Very low | 221 Ų | 221 | 163.9 Ų | 163.9 | 83% | 0.834 | 84% | 0.836 | S | S | * | * | | | trans | -89.2 | 126 | 166.8 | -77.8 | -176 | 172.4 | -164.6 | -1.6 | 108.7 | | |
| 424 | C | 59.2 | Low | 48.9 | Very low | 123 Ų | 123 | 160.7 Ų | 160.7 | 83% | 0.831 | 83% | 0.833 | S | S | * | * | | | trans | -110.8 | 122 | 155.2 | -70.8 | 0 | 0 | 0 | 0 | 108 | | |
| 425 | P | 47.8 | Very low | 49 | Very low | 123 Ų | 123 | 157.8 Ų | 157.8 | 80% | 0.799 | 83% | 0.832 | S | S | * | * | | | trans | -95.2 | 152.6 | -179 | 36.1 | -33.3 | 0 | 0 | 0 | 112.6 | | |
| 426 | G | 49.9 | Very low | 48.9 | Very low | 87 Ų | 87 | 156.1 Ų | 156.1 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | | | trans | 88.2 | 114.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 427 | G | 49.3 | Very low | 49.2 | Very low | 79 Ų | 79 | 155.4 Ų | 155.4 | 81% | 0.814 | 83% | 0.833 | S | S | * | * | | | trans | -169 | 127.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 428 | Q | 46.6 | Very low | 49.6 | Very low | 186 Ų | 186 | 158.7 Ų | 158.7 | 87% | 0.869 | 83% | 0.831 | S | S | * | * | | | trans | -84.9 | 147.7 | -169.4 | -72 | -175.3 | -6.3 | 0 | 0 | 113.5 | | |
| 429 | V | 48.5 | Very low | 49.6 | Very low | 127 Ų | 127 | 156.2 Ų | 156.2 | 77% | 0.77 | 83% | 0.827 | S | S | * | * | | | | 20.1 | 118.6 | 129.8 | -171.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 430 | Q | 47.3 | Very low | 50.3 | Low | 172 Ų | 172 | 157.8 Ų | 157.8 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | | | | -163.9 | 141.8 | 79.6 | -161.2 | 162.5 | 47.9 | 0 | 0 | 113.8 | | |
| 431 | A | 46.5 | Very low | 51.2 | Low | 93 Ų | 93 | 152.8 Ų | 152.8 | 77% | 0.769 | 86% | 0.857 | S | S | * | * | | | trans | -82.3 | 137.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 432 | R | 51.3 | Low | 51.4 | Low | 247 Ų | 247 | 152.2 Ų | 152.2 | 93% | 0.932 | 86% | 0.862 | S | S | * | * | | | trans | -125.5 | 125.7 | 153.5 | -82.4 | -166.8 | 169.6 | -157.9 | -2.1 | 110 | | |
| 433 | R | 45.1 | Very low | 51.2 | Low | 233 Ų | 233 | 150.1 Ų | 150.1 | 88% | 0.879 | 86% | 0.86 | S | S | * | * | | | trans | -79.5 | 155.8 | 174.6 | -67.7 | 173.5 | 163.4 | 177.6 | -7 | 110.4 | | |
| 434 | S | 43.2 | Very low | 51 | Low | 111 Ų | 111 | 146.1 Ų | 146.1 | 78% | 0.776 | 86% | 0.861 | S | S | * | * | | | trans | 67.6 | 152.5 | 143.7 | -68.4 | 0 | 0 | 0 | 0 | 117.5 | | |
| 435 | S | 44.9 | Very low | 50.6 | Low | 112 Ų | 112 | 147.5 Ų | 147.5 | 78% | 0.783 | 86% | 0.863 | S | S | * | * | | | cis | -172.8 | 142.6 | -10.4 | 42.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 436 | A | 51.7 | Low | 50.7 | Low | 98 Ų | 98 | 149 Ų | 149 | 81% | 0.81 | 87% | 0.867 | S | S | * | * | | | trans | -169.7 | 121.8 | 141.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 437 | I | 52.7 | Low | 50.8 | Low | 159 Ų | 159 | 153.1 Ų | 153.1 | 82% | 0.815 | 87% | 0.865 | S | S | * | * | | | trans | -107 | 129.2 | 150.9 | -66.1 | 172.7 | 0 | 0 | 0 | 104.7 | | |
| 438 | H | 60.4 | Low | 50.9 | Low | 164 Ų | 164 | 158.4 Ų | 158.4 | 76% | 0.759 | 87% | 0.868 | S | S | * | * | | | trans | -136.5 | 122 | 165.8 | -152.1 | -77.1 | 0 | 0 | 0 | 107.8 | | |
| 439 | F | 48.2 | Very low | 51.2 | Low | 189 Ų | 189 | 156.3 Ų | 156.3 | 83% | 0.829 | 87% | 0.868 | S | S | * | * | | | trans | -126.2 | 114.3 | 178.8 | -119.5 | -75.7 | 0 | 0 | 0 | 107.3 | | |
| 440 | Q | 59.6 | Low | 51.5 | Low | 179 Ų | 179 | 158.8 Ų | 158.8 | 84% | 0.836 | 88% | 0.877 | S | S | * | * | | | trans | -164.8 | 129.3 | 166.1 | -121.5 | 175.6 | -3 | 0 | 0 | 108.1 | | |
| 441 | G | 66.7 | Low | 51.8 | Low | 148 Ų | 148 | 157.5 Ų | 157.5 | 100% | 1.526 | 88% | 0.883 | S | S | * | * | | | trans | 124.9 | 0 | -160.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |