| 1 | M | 43.7 | Very low | 44.5 | Very low | 229 Ų | 229 | 136.1 Ų | 136.1 | 100% | 1.128 | 81% | 0.809 | S | S | * | * | | | | 0 | 93.1 | 0 | -68.2 | 154.2 | -175.3 | 0 | 0 | 105.7 | | |
| 2 | E | 40.3 | Very low | 43.7 | Very low | 186 Ų | 186 | 145.8 Ų | 145.8 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | | | | 93.6 | 121 | 53.6 | 179 | 176.5 | -146.2 | 0 | 0 | 110.2 | | |
| 3 | G | 41.5 | Very low | 43.1 | Very low | 59 Ų | 59 | 152 Ų | 152 | 61% | 0.608 | 82% | 0.824 | S | S | * | * | | | cis | 167.4 | 163.4 | -9.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 4 | M | 51.9 | Low | 42.3 | Very low | 167 Ų | 167 | 146.4 Ų | 146.4 | 82% | 0.823 | 80% | 0.802 | S | S | * | * | | | trans | 66.5 | 154.6 | 157.5 | -69.7 | 134.9 | 111.4 | 0 | 0 | 117 | | |
| 5 | E | 51.3 | Low | 41.6 | Very low | 166 Ų | 166 | 149.5 Ų | 149.5 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | | | cis | -148.7 | -167.9 | -4.6 | -134 | 172.4 | 97 | 0 | 0 | 114.7 | | |
| 6 | A | 46.7 | Very low | 41.2 | Very low | 89 Ų | 89 | 145.4 Ų | 145.4 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | | | trans | -71 | -170 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 7 | A | 45.3 | Very low | 40.9 | Very low | 95 Ų | 95 | 143.6 Ų | 143.6 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | cis | -157.9 | -177.6 | 13 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 8 | A | 44.1 | Very low | 40.9 | Very low | 96 Ų | 96 | 148.6 Ų | 148.6 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | | | cis | -153.8 | 171 | 1.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 9 | K | 42.4 | Very low | 40.9 | Very low | 203 Ų | 203 | 147.5 Ų | 147.5 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | trans | -88.7 | -168.9 | 165.4 | -63.6 | 177 | -179.3 | 175.2 | 0 | 109.4 | | |
| 10 | P | 44.4 | Very low | 40.5 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | cis | -123.8 | -179.7 | -6.7 | 24.1 | 2 | 0 | 0 | 0 | 112.4 | | |
| 11 | A | 37.5 | Very low | 40.1 | Very low | 87 Ų | 87 | 141 Ų | 141 | 72% | 0.719 | 79% | 0.791 | S | S | * | * | | | cis | 87.2 | 126.1 | 26.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 12 | R | 35.5 | Very low | 39.6 | Very low | 252 Ų | 252 | 136 Ų | 136 | 95% | 0.951 | 77% | 0.773 | S | S | * | * | | | trans | 71.7 | 157.5 | -176.6 | -55.5 | -175.3 | 174.5 | -157 | -4.5 | 113.2 | | |
| 13 | R | 35.2 | Very low | 39.4 | Very low | 227 Ų | 227 | 133.1 Ų | 133.1 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | | | cis | -161.7 | 153.5 | 32.7 | -158.1 | -166.3 | -170.8 | -177.2 | 2.4 | 112.8 | | |
| 14 | S | 33 | Very low | 39.2 | Very low | 74 Ų | 74 | 134.9 Ų | 134.9 | 52% | 0.517 | 77% | 0.772 | S | S | . | * | | | trans | 49.4 | 127.1 | 145.7 | 55.7 | 0 | 0 | 0 | 0 | 123.5 | | |
| 15 | Q | 31.6 | Very low | 38.9 | Very low | 193 Ų | 193 | 132.1 Ų | 132.1 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | | | trans | 63 | 151.2 | 132.1 | -59.8 | 166.9 | -57.9 | 0 | 0 | 118.2 | | |
| 16 | A | 35.7 | Very low | 38.1 | Very low | 84 Ų | 84 | 128.9 Ų | 128.9 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | | | cis | -155.1 | 171.7 | 15.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 17 | S | 35.2 | Very low | 37.5 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | 49 | 132.8 | 143 | 58 | 0 | 0 | 0 | 0 | 123.4 | | |
| 18 | R | 40.4 | Very low | 37.4 | Very low | 232 Ų | 232 | 133.8 Ų | 133.8 | 88% | 0.875 | 76% | 0.757 | S | S | * | * | | | trans | -57.7 | 158.6 | 162.9 | -49.4 | 161.1 | 82.4 | -175.1 | 9.3 | 111.4 | | |
| 19 | P | 42.1 | Very low | 37.2 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | | | | -123.8 | 174.3 | 81.5 | 38.6 | -33.9 | 0 | 0 | 0 | 112.6 | | |
| 20 | G | 32.6 | Very low | 37.7 | Very low | 50 Ų | 50 | 130.3 Ų | 130.3 | 52% | 0.515 | 75% | 0.745 | S | S | . | * | | | cis | 119.5 | 132.6 | -1.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 21 | S | 32.8 | Very low | 37.5 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | | | trans | 75.5 | 132.6 | 177.8 | 93.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 22 | T | 31.6 | Very low | 37.9 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | | 88.7 | 129.5 | 70.4 | -59.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 23 | T | 36.4 | Very low | 38.4 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | | | cis | -150.3 | 168 | 26.4 | -26.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 24 | S | 36.7 | Very low | 38.8 | Very low | 97 Ų | 97 | 123.9 Ų | 123.9 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | | | trans | -78.6 | -163.1 | 154.8 | 61.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 25 | P | 45.9 | Very low | 39.3 | Very low | 109 Ų | 109 | 126.4 Ų | 126.4 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | | | cis | -133.1 | -159.5 | -13 | 30.6 | -7.2 | 0 | 0 | 0 | 113 | | |
| 26 | T | 36.3 | Very low | 39.6 | Very low | 98 Ų | 98 | 120.4 Ų | 120.4 | 60% | 0.601 | 73% | 0.727 | S | S | * | * | | | trans | 125.2 | 99.2 | 132.3 | -49.2 | 0 | 0 | 0 | 0 | 118.6 | | |
| 27 | Q | 33.7 | Very low | 39.5 | Very low | 171 Ų | 171 | 121.2 Ų | 121.2 | 80% | 0.799 | 73% | 0.734 | S | S | * | * | | | trans | 59 | 171.8 | 143.6 | -49.9 | 171.2 | 20.4 | 0 | 0 | 117.8 | | |
| 28 | V | 43 | Very low | 39.7 | Very low | 115 Ų | 115 | 125.1 Ų | 125.1 | 70% | 0.697 | 74% | 0.74 | S | S | * | * | | | cis | -135 | 128.2 | 5 | -172.6 | 0 | 0 | 0 | 0 | 106.3 | | |
| 29 | T | 39.8 | Very low | 39.5 | Very low | 115 Ų | 115 | 122.6 Ų | 122.6 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | | | | 55 | 146.2 | 84.7 | -13.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 30 | P | 51.7 | Low | 39.3 | Very low | 111 Ų | 111 | 121 Ų | 121 | 72% | 0.721 | 73% | 0.728 | S | S | * | * | | | cis | -145.3 | 177.5 | 22.1 | 45.4 | -26.6 | 0 | 0 | 0 | 119.4 | | |
| 31 | A | 40.8 | Very low | 39.3 | Very low | 85 Ų | 85 | 125.9 Ų | 125.9 | 70% | 0.702 | 74% | 0.742 | S | S | * | * | | | trans | 68.8 | 146.6 | 144.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 32 | M | 46.4 | Very low | 39.2 | Very low | 185 Ų | 185 | 126 Ų | 126 | 91% | 0.911 | 74% | 0.742 | S | S | * | * | | | cis | -169.7 | 162.5 | -8.8 | -106 | -169.3 | 178.1 | 0 | 0 | 107.1 | | |
| 33 | A | 45.2 | Very low | 39.4 | Very low | 70 Ų | 70 | 123.7 Ų | 123.7 | 58% | 0.579 | 74% | 0.743 | S | S | * | * | | | cis | -175.2 | 156.2 | -17.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 34 | R | 44.8 | Very low | 39.2 | Very low | 212 Ų | 212 | 123.7 Ų | 123.7 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | | | trans | 65.4 | 150.8 | 146.8 | -73.7 | -179.2 | 166.6 | -92.9 | 1.1 | 119.7 | | |
| 35 | D | 43.3 | Very low | 39.3 | Very low | 127 Ų | 127 | 126.8 Ų | 126.8 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | | | cis | -137.3 | 150.5 | -14.2 | -89.4 | -48.5 | 0 | 0 | 0 | 105.6 | | |
| 36 | G | 37.1 | Very low | 39.3 | Very low | 66 Ų | 66 | 127.4 Ų | 127.4 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | | | | 121.4 | 115.8 | 68.2 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 37 | A | 33.9 | Very low | 39.2 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | | | | 52.3 | 131.8 | 101.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 38 | E | 38.3 | Very low | 39.1 | Very low | 198 Ų | 198 | 131.5 Ų | 131.5 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | | | cis | -130.7 | -162 | 45.6 | -65.8 | -176.3 | 91.8 | 0 | 0 | 115.5 | | |
| 39 | Q | 36.2 | Very low | 38.6 | Very low | 179 Ų | 179 | 131 Ų | 131 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | trans | -120.2 | -143.4 | -153.8 | -161.6 | -145.2 | -16.2 | 0 | 0 | 113.8 | | |
| 40 | P | 38.9 | Very low | 38.5 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 62% | 0.617 | 78% | 0.777 | S | S | * | * | | | | -96 | 159.8 | -121 | 39.1 | -28.7 | 0 | 0 | 0 | 115.6 | | |
| 41 | D | 32.3 | Very low | 37.4 | Very low | 151 Ų | 151 | 132 Ų | 132 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | | | | -158.9 | 157 | 127.7 | -139.5 | -26.6 | 0 | 0 | 0 | 114.5 | | |
| 42 | S | 31.2 | Very low | 37.4 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | | | trans | 5.7 | 125.6 | 153.7 | -61.6 | 0 | 0 | 0 | 0 | 121 | | |
| 43 | G | 35.3 | Very low | 36.9 | Very low | 74 Ų | 74 | 133.9 Ų | 133.9 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | | | trans | 161.4 | 94.7 | 155 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 44 | P | 33.5 | Very low | 36.2 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | -98.9 | 93.4 | 177.7 | 35.5 | -30.3 | 0 | 0 | 0 | 113.2 | | |
| 45 | L | 37.1 | Very low | 35.8 | Very low | 162 Ų | 162 | 135 Ų | 135 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | | | trans | -145.3 | 137.8 | 163.8 | -77.2 | -179.1 | 0 | 0 | 0 | 111.9 | | |
| 46 | P | 45.6 | Very low | 35.4 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 131.9 | 170.2 | 29.6 | -33.2 | 0 | 0 | 0 | 110.4 | | |
| 47 | R | 34.7 | Very low | 35 | Very low | 241 Ų | 241 | 139.8 Ų | 139.8 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -66 | 125.8 | -178.9 | -174.7 | 177.1 | -68.8 | 179.7 | -1.5 | 110.2 | | |
| 48 | P | 32.1 | Very low | 34.9 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 142.5 | -174.1 | 28.6 | -35.2 | 0 | 0 | 0 | 112.4 | | |
| 49 | S | 32.5 | Very low | 34.6 | Very low | 105 Ų | 105 | 139.1 Ų | 139.1 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -73 | 142.3 | 166.6 | 47 | 0 | 0 | 0 | 0 | 110.7 | C51 | S49-C51 PolarHBondContact O-N 3.14Š|
| 50 | P | 38.2 | Very low | 34.4 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 128.6 | -176.2 | 29 | -34.3 | 0 | 0 | 0 | 112.4 | | |
| 51 | C | 28.8 | Very low | 34.3 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | trans | -151.1 | 156 | 165.5 | -78.7 | 0 | 0 | 0 | 0 | 107.8 | S49 | S49-C51 PolarHBondContact O-N 3.14Š|
| 52 | P | 40.5 | Very low | 34.8 | Very low | 120 Ų | 120 | 140 Ų | 140 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | | | cis | -120.3 | -178.5 | -32.7 | 38.7 | -25.7 | 0 | 0 | 0 | 110.7 | | |
| 53 | Q | 34.5 | Very low | 35.2 | Very low | 190 Ų | 190 | 140.5 Ų | 140.5 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | -138.3 | 123.4 | 159 | -175.4 | 169.6 | -18.7 | 0 | 0 | 109.8 | | |
| 54 | E | 31 | Very low | 35.2 | Very low | 181 Ų | 181 | 146.6 Ų | 146.6 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | | | trans | -89 | 129 | 176.7 | -62.8 | 170.5 | 94.9 | 0 | 0 | 110.2 | | |
| 55 | D | 36.9 | Very low | 35.4 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 66% | 0.663 | 80% | 0.802 | S | S | * | * | | | trans | -155.2 | 145 | 144.7 | -152.5 | -7.8 | 0 | 0 | 0 | 111.7 | | |
| 56 | R | 33.9 | Very low | 35.7 | Very low | 210 Ų | 210 | 144.5 Ų | 144.5 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | | | trans | 36.2 | 110.8 | 160.7 | -83.1 | 158 | 169.9 | 137.5 | -6.9 | 122.5 | | |
| 57 | A | 30.7 | Very low | 35.1 | Very low | 85 Ų | 85 | 149.5 Ų | 149.5 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | | | | 70.1 | 111.7 | 114.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 58 | S | 30 | Very low | 35.4 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | 48 | 95.5 | 133.3 | -55.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 59 | N | 32.8 | Very low | 35.4 | Very low | 169 Ų | 169 | 150.6 Ų | 150.6 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | | | trans | -152.2 | 146.1 | 145.4 | -104.2 | -60.7 | 0 | 0 | 0 | 112.8 | | |
| 60 | L | 31.9 | Very low | 35.6 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | | | trans | -84.9 | 131.8 | -178.6 | -72.5 | 155.7 | 0 | 0 | 0 | 111.1 | | |
| 61 | M | 36 | Very low | 35.5 | Very low | 176 Ų | 176 | 151.9 Ų | 151.9 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | | | trans | -138.3 | 123.2 | 167.1 | -84.5 | -68 | 135.5 | 0 | 0 | 111.4 | | |
| 62 | P | 43.5 | Very low | 36 | Very low | 105 Ų | 105 | 155.3 Ų | 155.3 | 68% | 0.682 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 156.4 | 174.5 | 34 | -34.4 | 0 | 0 | 0 | 111.9 | | |
| 63 | P | 40.3 | Very low | 36 | Very low | 123 Ų | 123 | 158 Ų | 158 | 80% | 0.799 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 138.5 | 174.7 | 27.6 | -34.2 | 0 | 0 | 0 | 111.7 | | |
| 64 | K | 35.6 | Very low | 36.3 | Very low | 202 Ų | 202 | 158.3 Ų | 158.3 | 88% | 0.878 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 129 | 177.6 | -67.6 | 173.2 | -179.5 | 169.5 | 0 | 110.7 | | |
| 65 | P | 36.5 | Very low | 37.4 | Very low | 113 Ų | 113 | 152.2 Ų | 152.2 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 145.7 | 166.7 | 31.6 | -33.7 | 0 | 0 | 0 | 110.8 | | |
| 66 | P | 44.5 | Very low | 38.2 | Very low | 132 Ų | 132 | 150.9 Ų | 150.9 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 139.2 | 173.8 | 29 | -33.8 | 0 | 0 | 0 | 111.2 | | |
| 67 | R | 32.9 | Very low | 39.9 | Very low | 226 Ų | 226 | 143.3 Ų | 143.3 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 132.1 | 171.5 | -66.4 | -178.5 | 177.6 | -170.8 | -0.2 | 110.4 | | |
| 68 | T | 40.7 | Very low | 41.9 | Very low | 139 Ų | 139 | 144.2 Ų | 144.2 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | | -171.1 | 164.4 | 127.8 | 15.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 69 | W | 32.6 | Very low | 44.2 | Very low | 239 Ų | 239 | 144.8 Ų | 144.8 | 91% | 0.905 | 79% | 0.785 | S | S | * | * | | | trans | -96.6 | 145.2 | -166.3 | -68.8 | -79 | 0 | 0 | 0 | 114.4 | | |
| 70 | G | 36.1 | Very low | 46.2 | Very low | 78 Ų | 78 | 142.2 Ų | 142.2 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | -139.7 | 116.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q72 | G70-Q72 PolarHBondContact O-N 3.31Š|
| 71 | L | 34.8 | Very low | 48.4 | Very low | 182 Ų | 182 | 137.5 Ų | 137.5 | 95% | 0.953 | 75% | 0.748 | S | S | * | * | | | trans | -80.9 | 115.9 | -177.4 | -72 | 163.5 | 0 | 0 | 0 | 110.7 | | |
| 72 | Q | 39.6 | Very low | 50.8 | Low | 191 Ų | 191 | 135.9 Ų | 135.9 | 89% | 0.893 | 74% | 0.736 | S | S | * | * | | | trans | -114.4 | 114.3 | 166.4 | -168.3 | 169.2 | 76 | 0 | 0 | 109.7 | G70 Q74 | G70-Q72 PolarHBondContact O-N 3.31Å; Q72-Q74 PolarHBondContact O-N 3.39Å |
| 73 | L | 41.4 | Very low | 53 | Low | 175 Ų | 175 | 134.9 Ų | 134.9 | 92% | 0.916 | 73% | 0.728 | S | S | * | * | | | trans | -68.6 | 119.5 | -179.4 | -75.8 | 158.4 | 0 | 0 | 0 | 110.2 | G75 | L73-G75 PolarHBondContact O-N 3.41Š|
| 74 | Q | 41.1 | Very low | 55.1 | Low | 198 Ų | 198 | 136.1 Ų | 136.1 | 93% | 0.925 | 72% | 0.721 | S | S | * | * | | | trans | -74.2 | 110.1 | 178.7 | -170.5 | 169.5 | 66.7 | 0 | 0 | 109.9 | Q72 | Q72-Q74 PolarHBondContact O-N 3.39Š|
| 75 | G | 53 | Low | 57.2 | Low | 53 Ų | 53 | 129 Ų | 129 | 55% | 0.546 | 70% | 0.7 | S | S | . | * | P | Polyproline II helix | trans | -66.9 | 154.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L73 | L73-G75 PolarHBondContact O-N 3.41Š|
| 76 | P | 55.2 | Low | 59.3 | Low | 96 Ų | 96 | 129 Ų | 129 | 62% | 0.623 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 139.3 | -179.1 | 27.7 | -35.3 | 0 | 0 | 0 | 110.4 | | |
| 77 | S | 67.7 | Low | 61.2 | Low | 51 Ų | 51 | 129.9 Ų | 129.9 | 36% | 0.357 | 68% | 0.683 | S | S | . | * | P | Polyproline II helix | trans | -64.5 | 155.6 | -173.7 | 66.7 | 0 | 0 | 0 | 0 | 112.2 | L79 E80 S81 | S77-L79 PolarHBondContact O-N 2.69Å; S77-L79 VanDerWaalsContact O-N 3.14Å; S77-E80 PolarHBondContact N-OE2 3.29Å; S77-E80 PolarHBondContact O-N 2.93Å; S77-E80 VanDerWaalsContact O-N 3.12Å; S77-E80 WeakPolarHBondContact OG-CG 3.24Å; S77-E80 PolarHBondContact OG-N 3.4Å; S77-E80 VanDerWaalsContact OG-N 3.1Å; S77-E80 PolarHBondContact OG-OE2 3.17Å; S77-E80 VanDerWaalsContact OG-OE2 3.06Å; S77-S81 PolarHBondContact O-N 3.1Å; S77-S81 PolarHBondContact O-OG 2.65Å |
| 78 | V | 73.9 | Confident | 63.4 | Low | 104 Ų | 104 | 125 Ų | 125 | 63% | 0.63 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -58 | -27.3 | 172.7 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | K82 | V78-K82 HydrophobicContact CG1-CD 4.12Å; V78-K82 WeakPolarHBondContact O-CB 3.45Å; V78-K82 VanDerWaalsContact O-CG 3.25Å; V78-K82 WeakPolarHBondContact O-CG 3.09Å; V78-K82 PolarHBondContact O-N 3.04Å; V78-K82 VanDerWaalsContact O-N 3.13Å |
| 79 | L | 77.4 | Confident | 65.1 | Low | 127 Ų | 127 | 126.9 Ų | 126.9 | 67% | 0.665 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -71.2 | -48.7 | 174.6 | -172.1 | 64 | 0 | 0 | 0 | 111.7 | S77 S81 K82 V83 | S77-L79 PolarHBondContact O-N 2.69Å; S77-L79 VanDerWaalsContact O-N 3.14Å; L79-S81 VanDerWaalsContact C-N 3.33Å; L79-S81 PolarHBondContact O-N 3.41Å; L79-K82 PolarHBondContact O-N 3.31Å; L79-V83 WeakPolarHBondContact O-CB 3.38Å; L79-V83 VanDerWaalsContact O-CG2 3.31Å; L79-V83 WeakPolarHBondContact O-CG2 3.42Å; L79-V83 PolarHBondContact O-N 2.98Å |
| 80 | E | 75.9 | Confident | 66.8 | Low | 115 Ų | 115 | 122.7 Ų | 122.7 | 54% | 0.537 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -59.8 | -42.9 | 175.1 | -75.1 | 171 | 106.6 | 0 | 0 | 112.2 | S77 K82 V83 K84 | S77-E80 PolarHBondContact N-OE2 3.29Å; S77-E80 PolarHBondContact O-N 2.93Å; S77-E80 VanDerWaalsContact O-N 3.12Å; S77-E80 WeakPolarHBondContact OG-CG 3.24Å; S77-E80 PolarHBondContact OG-N 3.4Å; S77-E80 VanDerWaalsContact OG-N 3.1Å; S77-E80 PolarHBondContact OG-OE2 3.17Å; S77-E80 VanDerWaalsContact OG-OE2 3.06Å; E80-K82 VanDerWaalsContact C-N 3.32Å; E80-K82 PolarHBondContact O-N 3.11Å; E80-V83 PolarHBondContact O-N 3.34Å; E80-K84 VanDerWaalsContact O-CB 3.31Å; E80-K84 WeakPolarHBondContact O-CB 3.39Å; E80-K84 PolarHBondContact O-N 3.25Å |
| 81 | S | 77.1 | Confident | 68 | Low | 63 Ų | 63 | 123.7 Ų | 123.7 | 44% | 0.441 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -61.7 | -40.5 | 177.5 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | S77 L79 A85 | S77-S81 PolarHBondContact O-N 3.1Å; S77-S81 PolarHBondContact O-OG 2.65Å; L79-S81 VanDerWaalsContact C-N 3.33Å; L79-S81 PolarHBondContact O-N 3.41Å; S81-A85 WeakPolarHBondContact O-CB 3.43Å; S81-A85 PolarHBondContact O-N 3.41Å |
| 82 | K | 86.5 | Confident | 69.1 | Low | 141 Ų | 141 | 119.1 Ų | 119.1 | 61% | 0.613 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.2 | -39.5 | 174.6 | -75.2 | 173.2 | -179.4 | 176.1 | 0 | 112.7 | V78 L79 E80 L86 | V78-K82 HydrophobicContact CG1-CD 4.12Å; V78-K82 WeakPolarHBondContact O-CB 3.45Å; V78-K82 VanDerWaalsContact O-CG 3.25Å; V78-K82 WeakPolarHBondContact O-CG 3.09Å; V78-K82 PolarHBondContact O-N 3.04Å; V78-K82 VanDerWaalsContact O-N 3.13Å; L79-K82 PolarHBondContact O-N 3.31Å; E80-K82 VanDerWaalsContact C-N 3.32Å; E80-K82 PolarHBondContact O-N 3.11Å; K82-L86 VanDerWaalsContact O-CB 3.29Å; K82-L86 WeakPolarHBondContact O-CB 3.27Å; K82-L86 PolarHBondContact O-N 3.15Å |
| 83 | V | 89.4 | Confident | 69.3 | Low | 84 Ų | 84 | 113.2 Ų | 113.2 | 51% | 0.509 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.2 | -39.9 | 175.7 | 168.9 | 0 | 0 | 0 | 0 | 111 | L79 E80 L86 K87 | L79-V83 WeakPolarHBondContact O-CB 3.38Å; L79-V83 VanDerWaalsContact O-CG2 3.31Å; L79-V83 WeakPolarHBondContact O-CG2 3.42Å; L79-V83 PolarHBondContact O-N 2.98Å; E80-V83 PolarHBondContact O-N 3.34Å; V83-L86 PolarHBondContact O-N 3.21Å; V83-K87 VanDerWaalsContact O-CB 3.25Å; V83-K87 WeakPolarHBondContact O-CB 3.1Å; V83-K87 PolarHBondContact O-N 2.96Å |
| 84 | K | 84.7 | Confident | 69.5 | Low | 149 Ų | 149 | 113.8 Ų | 113.8 | 65% | 0.648 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -61.7 | -53.1 | 173.7 | -173.5 | -179.6 | 176.5 | -173.8 | 0 | 110.8 | E80 L86 K87 E88 | E80-K84 VanDerWaalsContact O-CB 3.31Å; E80-K84 WeakPolarHBondContact O-CB 3.39Å; E80-K84 PolarHBondContact O-N 3.25Å; K84-L86 VanDerWaalsContact C-N 3.29Å; K84-L86 PolarHBondContact O-N 3.43Å; K84-K87 PolarHBondContact O-N 3.04Å; K84-K87 VanDerWaalsContact O-N 3.17Å; K84-E88 VanDerWaalsContact O-CB 3.28Å; K84-E88 WeakPolarHBondContact O-CB 3.21Å; K84-E88 PolarHBondContact O-N 3.39Å |
| 85 | A | 79.7 | Confident | 69.4 | Low | 52 Ų | 52 | 114 Ų | 114 | 43% | 0.43 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -61.4 | -34 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S81 K89 | S81-A85 WeakPolarHBondContact O-CB 3.43Å; S81-A85 PolarHBondContact O-N 3.41Å; A85-K89 PolarHBondContact O-N 3.13Å |
| 86 | L | 81.3 | Confident | 68.7 | Low | 114 Ų | 114 | 115.2 Ų | 115.2 | 60% | 0.597 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.6 | -42.9 | 174.2 | -175.5 | 62.4 | 0 | 0 | 0 | 111.9 | K82 V83 K84 E88 K89 M90 | K82-L86 VanDerWaalsContact O-CB 3.29Å; K82-L86 WeakPolarHBondContact O-CB 3.27Å; K82-L86 PolarHBondContact O-N 3.15Å; V83-L86 PolarHBondContact O-N 3.21Å; K84-L86 VanDerWaalsContact C-N 3.29Å; K84-L86 PolarHBondContact O-N 3.43Å; L86-E88 VanDerWaalsContact C-N 3.31Å; L86-E88 PolarHBondContact O-N 3.45Å; L86-K89 PolarHBondContact O-N 3.38Å; L86-M90 WeakPolarHBondContact O-CB 3.28Å; L86-M90 WeakPolarHBondContact O-CG 3.48Å; L86-M90 PolarHBondContact O-N 3.45Å |
| 87 | K | 84.4 | Confident | 67.9 | Low | 150 Ų | 150 | 117.3 Ų | 117.3 | 65% | 0.652 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -62.7 | -38.9 | 174.9 | -175.8 | 177.6 | 179.7 | -179.8 | 0 | 111.4 | V83 K84 M90 T91 | V83-K87 VanDerWaalsContact O-CB 3.25Å; V83-K87 WeakPolarHBondContact O-CB 3.1Å; V83-K87 PolarHBondContact O-N 2.96Å; K84-K87 PolarHBondContact O-N 3.04Å; K84-K87 VanDerWaalsContact O-N 3.17Å; K87-M90 PolarHBondContact O-N 3.09Å; K87-T91 WeakPolarHBondContact O-CB 3.32Å; K87-T91 PolarHBondContact O-N 3.21Å; K87-T91 PolarHBondContact O-OG1 3.02Å |
| 88 | E | 78.3 | Confident | 66.2 | Low | 125 Ų | 125 | 121.7 Ų | 121.7 | 58% | 0.584 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -63.7 | -51.1 | 175.8 | -169 | 169.2 | 169.9 | 0 | 0 | 110.9 | K84 L86 M90 T91 A92 | K84-E88 VanDerWaalsContact O-CB 3.28Å; K84-E88 WeakPolarHBondContact O-CB 3.21Å; K84-E88 PolarHBondContact O-N 3.39Å; L86-E88 VanDerWaalsContact C-N 3.31Å; L86-E88 PolarHBondContact O-N 3.45Å; E88-M90 VanDerWaalsContact C-N 3.29Å; E88-M90 PolarHBondContact O-N 3.48Å; E88-T91 PolarHBondContact O-N 3.18Å; E88-A92 WeakPolarHBondContact O-CB 3.33Å; E88-A92 PolarHBondContact O-N 2.94Å |
| 89 | K | 77.2 | Confident | 64.6 | Low | 177 Ų | 177 | 122.7 Ų | 122.7 | 77% | 0.77 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -59.8 | -33.5 | 172.8 | -79.5 | -169.5 | 172 | -174 | 0 | 114.3 | A85 L86 T91 | A85-K89 PolarHBondContact O-N 3.13Å; L86-K89 PolarHBondContact O-N 3.38Å; K89-T91 VanDerWaalsContact C-N 3.34Å |
| 90 | M | 68.1 | Low | 62.6 | Low | 152 Ų | 152 | 125.4 Ų | 125.4 | 75% | 0.749 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -73.4 | -25.5 | 175.4 | -72.5 | -84.1 | -77.4 | 0 | 0 | 112.9 | L86 K87 E88 | L86-M90 WeakPolarHBondContact O-CB 3.28Å; L86-M90 WeakPolarHBondContact O-CG 3.48Å; L86-M90 PolarHBondContact O-N 3.45Å; K87-M90 PolarHBondContact O-N 3.09Å; E88-M90 VanDerWaalsContact C-N 3.29Å; E88-M90 PolarHBondContact O-N 3.48Å |
| 91 | T | 62.3 | Low | 60.9 | Low | 98 Ų | 98 | 125.2 Ų | 125.2 | 60% | 0.601 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -92.5 | -31.6 | -176.4 | -48.8 | 0 | 0 | 0 | 0 | 111.9 | K87 E88 K89 G93 | K87-T91 WeakPolarHBondContact O-CB 3.32Å; K87-T91 PolarHBondContact O-N 3.21Å; K87-T91 PolarHBondContact O-OG1 3.02Å; E88-T91 PolarHBondContact O-N 3.18Å; K89-T91 VanDerWaalsContact C-N 3.34Å; T91-G93 PolarHBondContact O-N 2.98Å; T91-G93 VanDerWaalsContact O-N 3.07Å |
| 92 | A | 56.2 | Low | 58.8 | Low | 87 Ų | 87 | 127.4 Ų | 127.4 | 72% | 0.719 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -9.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E88 | E88-A92 WeakPolarHBondContact O-CB 3.33Å; E88-A92 PolarHBondContact O-N 2.94Å |
| 93 | G | 44.3 | Very low | 56.5 | Low | 66 Ų | 66 | 126.3 Ų | 126.3 | 68% | 0.68 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | 9.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | T91 | T91-G93 PolarHBondContact O-N 2.98Å; T91-G93 VanDerWaalsContact O-N 3.07Å |
| 94 | K | 45.8 | Very low | 53.8 | Low | 188 Ų | 188 | 131.5 Ų | 131.5 | 82% | 0.817 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -145.9 | 60.7 | -172.7 | -70.8 | -163.5 | 173.7 | -169.7 | 0 | 116 | | |
| 95 | Q | 39.8 | Very low | 51.5 | Low | 201 Ų | 201 | 133.8 Ų | 133.8 | 94% | 0.939 | 73% | 0.732 | S | S | * | * | | | trans | -167.6 | 145.7 | 154.9 | -110.2 | 164.1 | 21.3 | 0 | 0 | 110.3 | | |
| 96 | G | 37.3 | Very low | 49.2 | Very low | 79 Ų | 79 | 141.9 Ų | 141.9 | 81% | 0.814 | 75% | 0.752 | S | S | * | * | | | trans | 127 | 107.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 97 | T | 38.7 | Very low | 47.2 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | | | trans | -95.9 | 148.9 | -177.5 | -49.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 98 | D | 31.5 | Very low | 44.4 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | | | trans | -48.8 | 148 | 171.9 | -81.7 | -76.4 | 0 | 0 | 0 | 113.5 | | |
| 99 | P | 41.6 | Very low | 42.6 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | | -129.8 | 139.6 | 99.7 | 36.4 | -29.7 | 0 | 0 | 0 | 115.8 | | |
| 100 | R | 34.8 | Very low | 40.3 | Very low | 184 Ų | 184 | 136.8 Ų | 136.8 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | | | trans | -67.3 | 166.3 | 167.4 | -123.8 | -173.8 | 167.7 | -169.9 | -4.5 | 111.2 | | |
| 101 | P | 40.8 | Very low | 38.7 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | | | | -146 | 171.5 | 57.5 | 42 | -22.8 | 0 | 0 | 0 | 117.8 | | |
| 102 | T | 32 | Very low | 37.2 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | | | trans | 22.2 | 138.8 | 152.8 | 51.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 103 | S | 38.7 | Very low | 36.2 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | cis | -142.5 | -179.3 | 39.9 | 58.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 104 | Y | 32.1 | Very low | 35.6 | Very low | 194 Ų | 194 | 146.1 Ų | 146.1 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | | | trans | -103.6 | 139.5 | -176.5 | -68.2 | -107.9 | 0 | 0 | 0 | 111.6 | | |
| 105 | E | 36.1 | Very low | 35 | Very low | 196 Ų | 196 | 145.7 Ų | 145.7 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | | | trans | -141.9 | 169.5 | 132.5 | -164.7 | 140.9 | -147.2 | 0 | 0 | 110.3 | | |
| 106 | R | 32.9 | Very low | 34.7 | Very low | 223 Ų | 223 | 144.4 Ų | 144.4 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | | | trans | -117.8 | 130.8 | -145.1 | -161.7 | -178.3 | -159 | 162.9 | 4.9 | 112.8 | | |
| 107 | P | 37.5 | Very low | 34.5 | Very low | 121 Ų | 121 | 146 Ų | 146 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | trans | -81.5 | 128.8 | 179.9 | 31.8 | -34.3 | 0 | 0 | 0 | 112.4 | | |
| 108 | S | 26.6 | Very low | 34.3 | Very low | 107 Ų | 107 | 148.2 Ų | 148.2 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | trans | 171.8 | 171 | 158.9 | 52.6 | 0 | 0 | 0 | 0 | 110 | | |
| 109 | P | 40.2 | Very low | 34.4 | Very low | 105 Ų | 105 | 143.6 Ų | 143.6 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | | | cis | -131 | 176.9 | -49 | 37.7 | -23.7 | 0 | 0 | 0 | 112.4 | | |
| 110 | T | 29.9 | Very low | 34 | Very low | 126 Ų | 126 | 139 Ų | 139 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | | | trans | 26.3 | 110.6 | 150 | 55.7 | 0 | 0 | 0 | 0 | 119.2 | | |
| 111 | K | 34.1 | Very low | 33.9 | Very low | 204 Ų | 204 | 136.4 Ų | 136.4 | 89% | 0.887 | 73% | 0.729 | S | S | * | * | | | trans | -150.3 | 139.8 | 142.4 | -116.4 | 161.3 | -171.2 | 178.2 | 0 | 113.7 | | |
| 112 | S | 31.2 | Very low | 33.3 | Very low | 95 Ų | 95 | 134.1 Ų | 134.1 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | | | trans | -15.1 | 124.3 | 164.2 | 49.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 113 | K | 33.6 | Very low | 33.3 | Very low | 200 Ų | 200 | 140.6 Ų | 140.6 | 87% | 0.87 | 73% | 0.732 | S | S | * | * | | | trans | -110.1 | 78.4 | 141.2 | -151.8 | 161.6 | -167.8 | 172.8 | 0 | 108.9 | | |
| 114 | C | 32.6 | Very low | 33 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 68% | 0.676 | 73% | 0.733 | S | S | * | * | | | trans | -59.8 | 168.9 | 165.2 | -63.5 | 0 | 0 | 0 | 0 | 109.9 | Q116 | C114-Q116 PolarHBondContact O-N 2.89Å; C114-Q116 VanDerWaalsContact O-N 3.17Å |
| 115 | H | 33.7 | Very low | 33.2 | Very low | 178 Ų | 178 | 138.7 Ų | 138.7 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | | | trans | -46.4 | 121.4 | 176.8 | -68.4 | -105.8 | 0 | 0 | 0 | 111.7 | V117 | H115-V117 HydrophobicContact CB-CG2 4.38Å; H115-V117 PolarHBondContact O-N 3.1Å |
| 116 | Q | 32.6 | Very low | 33.2 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | | | trans | -77.3 | 100.6 | 158.3 | -167.7 | 165.3 | 8.9 | 0 | 0 | 106.2 | C114 | C114-Q116 PolarHBondContact O-N 2.89Å; C114-Q116 VanDerWaalsContact O-N 3.17Å |
| 117 | V | 32.8 | Very low | 33.1 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | | | trans | -66.7 | 146.6 | -177.7 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | H115 | H115-V117 HydrophobicContact CB-CG2 4.38Å; H115-V117 PolarHBondContact O-N 3.1Å |
| 118 | K | 34.4 | Very low | 33.1 | Very low | 185 Ų | 185 | 129.2 Ų | 129.2 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | | | trans | -135.7 | 108.2 | 171.7 | 176 | 163.3 | -170.7 | -178.2 | 0 | 107.7 | | |
| 119 | T | 34.9 | Very low | 33.5 | Very low | 47 Ų | 47 | 131.9 Ų | 131.9 | 29% | 0.288 | 72% | 0.721 | S | S | . | * | | | cis | 71 | 145.6 | 46.2 | 90.7 | 0 | 0 | 0 | 0 | 112.9 | W324 D325 | T119-W324 VanDerWaalsContact CG2-O 3.24Å; T119-W324 WeakPolarHBondContact CG2-O 3.28Å; T119-D325 WeakPolarHBondContact CB-OD2 3.12Å; T119-D325 HydrophobicContact CG2-CB 4.13Å; T119-D325 VanDerWaalsContact OG1-CG 3.24Å; T119-D325 PolarHBondContact OG1-OD2 2.85Å |
| 120 | G | 32.3 | Very low | 33.3 | Very low | 30 Ų | 30 | 132.7 Ų | 132.7 | 31% | 0.309 | 72% | 0.724 | S | S | . | * | | | cis | 140.8 | 139 | -2.2 | 0 | 0 | 0 | 0 | 0 | 110 | D323 | G120-D323 VanDerWaalsContact CA-OD1 3.24Å; G120-D323 WeakPolarHBondContact CA-OD1 3.29Å |
| 121 | V | 31.9 | Very low | 33.6 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | | | cis | 146.2 | -6.9 | -17.5 | -65.9 | 0 | 0 | 0 | 0 | 114.5 | D323 | V121-D323 WeakPolarHBondContact CA-OD1 3.35Å; V121-D323 WeakPolarHBondContact CA-OD2 3.41Å; V121-D323 PolarHBondContact N-OD2 3.14Å |
| 122 | A | 30.1 | Very low | 33.9 | Very low | 62 Ų | 62 | 128.6 Ų | 128.6 | 51% | 0.512 | 72% | 0.718 | S | S | . | * | | | trans | -114.1 | 101 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D323 | A122-D323 PolarHBondContact N-OD2 3.36Å; A122-D323 VanDerWaalsContact N-OD2 3.1Å |
| 123 | W | 30.1 | Very low | 33.8 | Very low | 246 Ų | 246 | 132.1 Ų | 132.1 | 93% | 0.932 | 72% | 0.724 | S | S | * | * | | | trans | 70.1 | 137.8 | 153.2 | -41.3 | -16.5 | 0 | 0 | 0 | 116 | | |
| 124 | S | 33 | Very low | 33.6 | Very low | 120 Ų | 120 | 125.8 Ų | 125.8 | 84% | 0.839 | 71% | 0.708 | S | S | * | * | | | cis | -136.9 | 142.7 | 23.3 | -58.6 | 0 | 0 | 0 | 0 | 114 | | |
| 125 | L | 36 | Very low | 33.9 | Very low | 151 Ų | 151 | 129.9 Ų | 129.9 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | | | trans | -80.6 | 155.9 | 155.4 | -97.3 | 164 | 0 | 0 | 0 | 108.5 | | |
| 126 | P | 36.2 | Very low | 33.7 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 79% | 0.792 | 72% | 0.716 | S | S | * | * | | | | -134.3 | 146.6 | 56.4 | 38.6 | -23.4 | 0 | 0 | 0 | 116.5 | | |
| 127 | D | 32.3 | Very low | 34.1 | Very low | 149 Ų | 149 | 125 Ų | 125 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | | | | -133 | 141.9 | 117.1 | -160.6 | -0.4 | 0 | 0 | 0 | 108 | | |
| 128 | A | 35.8 | Very low | 34.1 | Very low | 70 Ų | 70 | 125.6 Ų | 125.6 | 58% | 0.579 | 71% | 0.708 | S | S | * | * | | | trans | -154.6 | 148.2 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 129 | L | 36.9 | Very low | 34.1 | Very low | 163 Ų | 163 | 123.7 Ų | 123.7 | 85% | 0.853 | 71% | 0.707 | S | S | * | * | | | trans | 70.4 | 106.9 | 178.7 | -55.6 | 155 | 0 | 0 | 0 | 112.5 | | |
| 130 | V | 34.7 | Very low | 34.1 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 75% | 0.745 | 73% | 0.729 | S | S | * | * | | | | 64.7 | 92.4 | 56 | -170.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 131 | V | 36.8 | Very low | 34.3 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | | | trans | 36.1 | 114.4 | 135.7 | -173.1 | 0 | 0 | 0 | 0 | 117.5 | H133 | V131-H133 HydrophobicContact CG1-CB 4.25Š|
| 132 | P | 39.3 | Very low | 34.7 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 79% | 0.792 | 75% | 0.75 | S | S | * | * | | | | -106.7 | 147.3 | 107.5 | 32.1 | -34.5 | 0 | 0 | 0 | 110.3 | | |
| 133 | H | 30 | Very low | 35 | Very low | 170 Ų | 170 | 133.6 Ų | 133.6 | 79% | 0.787 | 76% | 0.762 | S | S | * | * | | | cis | 85.6 | 128.6 | 28 | -161.9 | 75.2 | 0 | 0 | 0 | 114.8 | V131 | V131-H133 HydrophobicContact CG1-CB 4.25Š|
| 134 | A | 29.7 | Very low | 35.3 | Very low | 66 Ų | 66 | 133.2 Ų | 133.2 | 55% | 0.545 | 76% | 0.76 | S | S | . | * | | | trans | 78.4 | 142.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 135 | Q | 37.7 | Very low | 35.4 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | | | trans | 72 | 99 | 142.9 | -75.4 | 157.4 | -14.1 | 0 | 0 | 121.7 | | |
| 136 | N | 29.8 | Very low | 35.6 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | | | | -43.8 | 155.6 | 126.5 | -126.9 | 2.8 | 0 | 0 | 0 | 110.7 | | |
| 137 | P | 42.1 | Very low | 35.5 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 66% | 0.656 | 75% | 0.749 | S | S | * | * | | | cis | -146.8 | -172.1 | 23.6 | 41.2 | -19.6 | 0 | 0 | 0 | 117.5 | | |
| 138 | N | 32.9 | Very low | 35.6 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 67% | 0.674 | 75% | 0.745 | S | S | * | * | | | trans | 77 | 143.1 | 141.3 | -92.7 | 44.1 | 0 | 0 | 0 | 124.6 | | |
| 139 | D | 33.2 | Very low | 35.8 | Very low | 146 Ų | 146 | 140.9 Ų | 140.9 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | | | trans | 69.7 | 145.6 | 144.2 | -57.4 | -31.6 | 0 | 0 | 0 | 123.5 | | |
| 140 | G | 36.4 | Very low | 35.8 | Very low | 72 Ų | 72 | 142.7 Ų | 142.7 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | | | trans | 94.9 | 75.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 141 | H | 36 | Very low | 36.1 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | | | | 77.7 | 151.6 | 62.6 | -164.3 | -108.1 | 0 | 0 | 0 | 114.9 | | |
| 142 | L | 40.4 | Very low | 35.9 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | | | trans | 69.7 | 101.2 | -172.9 | -50 | 175 | 0 | 0 | 0 | 114.2 | | |
| 143 | A | 36 | Very low | 35.9 | Very low | 92 Ų | 92 | 146.3 Ų | 146.3 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | | | cis | 74 | 106.8 | 18.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 144 | R | 37 | Very low | 36.1 | Very low | 237 Ų | 237 | 144.9 Ų | 144.9 | 89% | 0.894 | 76% | 0.764 | S | S | * | * | | | trans | -179.1 | 106.4 | 136.3 | -148.5 | 163.8 | 77.3 | -168.4 | 6.8 | 108.8 | | |
| 145 | H | 34.4 | Very low | 36.4 | Very low | 171 Ų | 171 | 147.4 Ų | 147.4 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | | | | 76.1 | 148.5 | 59.3 | -156.8 | -76.4 | 0 | 0 | 0 | 113.9 | | |
| 146 | V | 40.4 | Very low | 36.1 | Very low | 126 Ų | 126 | 142 Ų | 142 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | | | trans | 83.1 | 142.4 | 176.7 | -174 | 0 | 0 | 0 | 0 | 115.7 | | |
| 147 | N | 34.2 | Very low | 36.4 | Very low | 120 Ų | 120 | 141 Ų | 141 | 64% | 0.642 | 78% | 0.777 | S | S | * | * | | | cis | -165.8 | 171 | -35.1 | -168.4 | 32.1 | 0 | 0 | 0 | 109.7 | | |
| 148 | E | 34.5 | Very low | 35.9 | Very low | 153 Ų | 153 | 145.8 Ų | 145.8 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | | | trans | -24.8 | 140.5 | 166.2 | -59.5 | 157.8 | 132.5 | 0 | 0 | 118.7 | | |
| 149 | K | 38.4 | Very low | 36.1 | Very low | 204 Ų | 204 | 144.7 Ų | 144.7 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | | | | -172.5 | 133.2 | 116.2 | -104.6 | 161.1 | -176.4 | 172.6 | 0 | 114.7 | | |
| 150 | K | 37.2 | Very low | 36.2 | Very low | 201 Ų | 201 | 143.2 Ų | 143.2 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | trans | -79 | 144 | 153.9 | -90.9 | 179.4 | 174.4 | 173.5 | 0 | 109.3 | | |
| 151 | P | 42.2 | Very low | 36.1 | Very low | 117 Ų | 117 | 146 Ų | 146 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | | -133.7 | 146.7 | 112 | 35.2 | -25.3 | 0 | 0 | 0 | 111.4 | | |
| 152 | A | 32.1 | Very low | 36.1 | Very low | 89 Ų | 89 | 143.6 Ų | 143.6 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | | | cis | 79.4 | 79.7 | 40.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 153 | R | 39.3 | Very low | 35.8 | Very low | 235 Ų | 235 | 144.8 Ų | 144.8 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | | | trans | -177.6 | 148.8 | 159 | -103 | 171.2 | 173.7 | -160.9 | -3.5 | 108 | | |
| 154 | N | 35.1 | Very low | 35.6 | Very low | 140 Ų | 140 | 145.3 Ų | 145.3 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | | | cis | -169.3 | 174.2 | -32.9 | -110.9 | 8.6 | 0 | 0 | 0 | 108 | | |
| 155 | S | 34.7 | Very low | 35.5 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | trans | 58.3 | 106.2 | 157.2 | 55.5 | 0 | 0 | 0 | 0 | 121.4 | | |
| 156 | G | 32.6 | Very low | 35.3 | Very low | 73 Ų | 73 | 145.4 Ų | 145.4 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | | | trans | 86.5 | 143.7 | 141.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 157 | S | 34.9 | Very low | 35 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | | | cis | -154.9 | 151.2 | -8.8 | -74.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 158 | K | 32 | Very low | 35 | Very low | 202 Ų | 202 | 151.2 Ų | 151.2 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | | | trans | -84.9 | 173.5 | 163 | -121.3 | -177.3 | 177.1 | -178.4 | 0 | 108.8 | | |
| 159 | P | 36.3 | Very low | 34.7 | Very low | 104 Ų | 104 | 148.9 Ų | 148.9 | 68% | 0.675 | 81% | 0.811 | S | S | * | * | | | cis | -142.7 | -168.8 | 3.9 | 40.9 | -19.8 | 0 | 0 | 0 | 116.8 | | |
| 160 | S | 35.8 | Very low | 34.7 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | | | trans | 84.9 | 125.5 | 144.6 | -61.8 | 0 | 0 | 0 | 0 | 123 | | |
| 161 | T | 34 | Very low | 34.4 | Very low | 132 Ų | 132 | 146 Ų | 146 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | | | trans | -73.2 | 174.5 | 152.2 | 48.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 162 | P | 36.1 | Very low | 33.7 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | | | cis | -145.3 | -144.4 | 27.3 | 41.6 | -16.9 | 0 | 0 | 0 | 115.4 | | |
| 163 | E | 34.8 | Very low | 34 | Very low | 170 Ų | 170 | 146 Ų | 146 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | trans | 72.8 | 107.7 | 177.9 | -54.5 | -172.8 | 160.6 | 0 | 0 | 115.3 | | |
| 164 | S | 31 | Very low | 33.5 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | | | cis | 83.4 | 102.2 | 45.5 | 80.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 165 | W | 34.8 | Very low | 33.2 | Very low | 248 Ų | 248 | 141.1 Ų | 141.1 | 94% | 0.939 | 80% | 0.798 | S | S | * | * | | | trans | -129.9 | 117.5 | 158.6 | -82.4 | 77.8 | 0 | 0 | 0 | 108.9 | | |
| 166 | N | 30.3 | Very low | 33.2 | Very low | 162 Ų | 162 | 141.7 Ų | 141.7 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | | | trans | -88.8 | 123.5 | 166.3 | -76.6 | -40 | 0 | 0 | 0 | 108.2 | | |
| 167 | E | 34.6 | Very low | 33.1 | Very low | 175 Ų | 175 | 150.3 Ų | 150.3 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -139.9 | 96.4 | 145.8 | -75.7 | -152.9 | 126.7 | 0 | 0 | 110.5 | | |
| 168 | Q | 33.5 | Very low | 33.1 | Very low | 193 Ų | 193 | 152.3 Ų | 152.3 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | | | trans | 64.2 | 145.2 | 153.7 | -59 | -179 | 1.6 | 0 | 0 | 119.7 | | |
| 169 | S | 29.7 | Very low | 33.4 | Very low | 104 Ų | 104 | 148.1 Ų | 148.1 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -130.7 | -172.8 | -165.5 | 69.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 170 | P | 37.5 | Very low | 33.4 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | | | | -111.1 | -84.7 | -112.2 | 18.3 | 4.8 | 0 | 0 | 0 | 114.9 | | |
| 171 | W | 32.3 | Very low | 33.3 | Very low | 230 Ų | 230 | 149.3 Ų | 149.3 | 87% | 0.871 | 80% | 0.802 | S | S | * | * | | | trans | 71.4 | 99.9 | 175 | -57.2 | 85.5 | 0 | 0 | 0 | 119.7 | | |
| 172 | S | 26 | Very low | 33.3 | Very low | 104 Ų | 104 | 150.6 Ų | 150.6 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | | -104 | 176.8 | 125 | 61.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 173 | P | 38.6 | Very low | 33.4 | Very low | 100 Ų | 100 | 152.4 Ų | 152.4 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | | | cis | -131 | -159.3 | -4.5 | 42.6 | -23.7 | 0 | 0 | 0 | 113.2 | | |
| 174 | E | 28.5 | Very low | 33.6 | Very low | 180 Ų | 180 | 152.9 Ų | 152.9 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | | | trans | 42 | 122.2 | 151.3 | -72.7 | 177.4 | 109.2 | 0 | 0 | 124.3 | | |
| 175 | A | 29.9 | Very low | 33.8 | Very low | 94 Ų | 94 | 154.4 Ų | 154.4 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | | | trans | 74.3 | 178.5 | 134.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 176 | V | 34.3 | Very low | 34.3 | Very low | 130 Ų | 130 | 147.4 Ų | 147.4 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | | | trans | 70.4 | 108.7 | 177.8 | -168 | 0 | 0 | 0 | 0 | 117.3 | | |
| 177 | W | 30.4 | Very low | 34.8 | Very low | 255 Ų | 255 | 145.7 Ų | 145.7 | 97% | 0.966 | 78% | 0.781 | S | S | * | * | | | trans | -115.7 | 109.4 | 151.3 | -88.2 | 78.7 | 0 | 0 | 0 | 108.3 | | |
| 178 | M | 35.7 | Very low | 35 | Very low | 168 Ų | 168 | 142.2 Ų | 142.2 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | | | trans | -152.7 | 144.1 | 156.3 | -84.1 | -52.7 | -75.3 | 0 | 0 | 109.3 | | |
| 179 | P | 37.2 | Very low | 35.3 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | | | trans | -97.6 | 164.8 | -177 | 38.3 | -35.8 | 0 | 0 | 0 | 114 | | |
| 180 | A | 36 | Very low | 35.5 | Very low | 99 Ų | 99 | 138.1 Ų | 138.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -153.3 | 153 | 162 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 181 | D | 33.9 | Very low | 35.3 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | | | trans | -97 | -162 | -175.3 | -68.9 | -74.5 | 0 | 0 | 0 | 113.5 | | |
| 182 | H | 35.1 | Very low | 35.3 | Very low | 159 Ų | 159 | 130.4 Ų | 130.4 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | | | trans | 81.7 | 146.1 | 171.1 | -49.3 | -83.5 | 0 | 0 | 0 | 116.4 | | |
| 183 | E | 37.1 | Very low | 35.8 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | | | cis | -151.5 | -169.5 | -23.6 | -122.5 | 163.6 | 86.3 | 0 | 0 | 107 | | |
| 184 | E | 38.2 | Very low | 35.4 | Very low | 180 Ų | 180 | 135 Ų | 135 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | | | cis | -131.1 | 153.3 | 21.3 | -67 | 171.6 | 110.4 | 0 | 0 | 109 | | |
| 185 | D | 35.3 | Very low | 35.8 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | | | | 77.3 | 159.9 | 70.4 | -133.4 | 36 | 0 | 0 | 0 | 113.9 | | |
| 186 | P | 46.3 | Very low | 35.9 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | | | cis | -141.2 | -179.2 | 10.5 | 34 | -8.8 | 0 | 0 | 0 | 119.8 | | |
| 187 | V | 40.2 | Very low | 36.6 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | | | trans | 108.5 | 100.4 | 148.4 | -169.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 188 | A | 38.6 | Very low | 36.7 | Very low | 102 Ų | 102 | 129 Ų | 129 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | | | trans | 57.4 | 146 | 137.9 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 189 | G | 39.8 | Very low | 36.4 | Very low | 75 Ų | 75 | 126.9 Ų | 126.9 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | | | cis | -175.6 | -178.7 | 1.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 190 | S | 35.2 | Very low | 36.1 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 95% | 0.951 | 77% | 0.769 | S | S | * | * | | | trans | -63.2 | 169.1 | -171.4 | -39.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 191 | G | 33.8 | Very low | 35.9 | Very low | 73 Ų | 73 | 133.3 Ų | 133.3 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | | | cis | -176.4 | -155.5 | 7.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 192 | S | 31.6 | Very low | 35.7 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | | | cis | -172.8 | -172.6 | -7.9 | 57.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 193 | L | 36.2 | Very low | 35.7 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | trans | 73.9 | 128.5 | 175.2 | -57.5 | 168.6 | 0 | 0 | 0 | 115.9 | | |
| 194 | Q | 29.5 | Very low | 35.4 | Very low | 153 Ų | 153 | 128.3 Ų | 128.3 | 72% | 0.715 | 78% | 0.776 | S | S | * | * | | | | 76.9 | 127.9 | 54.6 | -166.8 | 171.9 | -14.9 | 0 | 0 | 110.7 | | |
| 195 | E | 36.9 | Very low | 35.3 | Very low | 167 Ų | 167 | 128 Ų | 128 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | | | cis | -148.5 | -163.3 | 43 | -159.3 | 137.2 | -128.3 | 0 | 0 | 115.7 | | |
| 196 | S | 32.8 | Very low | 35.6 | Very low | 112 Ų | 112 | 126.1 Ų | 126.1 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | | | trans | -105.7 | 170.3 | -162.5 | -102.4 | 0 | 0 | 0 | 0 | 116 | | |
| 197 | P | 49.7 | Very low | 34.8 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | | | trans | -97.8 | 174.3 | -162.4 | 39.4 | -38.4 | 0 | 0 | 0 | 115 | | |
| 198 | N | 32.6 | Very low | 34.6 | Very low | 145 Ų | 145 | 134.7 Ų | 134.7 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | | | trans | -170.4 | 139.2 | 144.5 | -107.7 | -51.2 | 0 | 0 | 0 | 118.1 | | |
| 199 | N | 28.8 | Very low | 34.7 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 66% | 0.663 | 78% | 0.78 | S | S | * | * | | | trans | 67.8 | 136.7 | 138.1 | -84.9 | -46.2 | 0 | 0 | 0 | 126.3 | | |
| 200 | R | 30.3 | Very low | 34.4 | Very low | 225 Ų | 225 | 135.4 Ų | 135.4 | 85% | 0.849 | 78% | 0.778 | S | S | * | * | | | trans | 72.4 | 158.9 | 141.3 | -73.8 | 178.6 | 178.5 | -166.4 | -1 | 120.3 | | |
| 201 | V | 32.6 | Very low | 34.9 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | cis | -170.7 | 164.9 | -39.4 | 115.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 202 | S | 30 | Very low | 34.9 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | | | trans | 74.5 | 132.3 | 179.5 | -54.7 | 0 | 0 | 0 | 0 | 114.8 | | |
| 203 | A | 34.5 | Very low | 35 | Very low | 94 Ų | 94 | 139.5 Ų | 139.5 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | | | cis | 84 | 121.2 | 25.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 204 | V | 31 | Very low | 35.1 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 92% | 0.915 | 77% | 0.768 | S | S | * | * | | | trans | -174.9 | 139.4 | 151.9 | 136.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 205 | Q | 35.9 | Very low | 35.4 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | -98.4 | -174.5 | 171.6 | -120 | -161.5 | 3.1 | 0 | 0 | 109.4 | | |
| 206 | P | 40.8 | Very low | 35.4 | Very low | 94 Ų | 94 | 134 Ų | 134 | 61% | 0.61 | 77% | 0.765 | S | S | * | * | | | cis | -120.4 | -126.6 | 10.1 | 26.2 | 1.2 | 0 | 0 | 0 | 111.8 | | |
| 207 | Q | 30.2 | Very low | 35.7 | Very low | 179 Ų | 179 | 136.8 Ų | 136.8 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | cis | -157.5 | 178.8 | 2.1 | -148.1 | 164.7 | 31.4 | 0 | 0 | 114.7 | | |
| 208 | R | 35 | Very low | 35 | Very low | 228 Ų | 228 | 136.5 Ų | 136.5 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | | | trans | -77.5 | -175.5 | 176.2 | -109.5 | 179.1 | 176.3 | -170.2 | 0.3 | 113.8 | | |
| 209 | P | 42.4 | Very low | 35 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | | | cis | -138.3 | -177.6 | -13.2 | 35.4 | -15.6 | 0 | 0 | 0 | 115.8 | | |
| 210 | G | 32.9 | Very low | 35.5 | Very low | 72 Ų | 72 | 135.6 Ų | 135.6 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | trans | 156.2 | 118.7 | 151.2 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 211 | P | 45.1 | Very low | 35.8 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | | | trans | -134 | 172 | -179.4 | 42.8 | -29.7 | 0 | 0 | 0 | 116.7 | | |
| 212 | C | 33.2 | Very low | 36.1 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 68% | 0.676 | 77% | 0.77 | S | S | * | * | | | trans | 153.9 | 151.8 | 148.6 | -83.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 213 | K | 35.4 | Very low | 36.3 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 78% | 0.778 | 77% | 0.768 | S | S | * | * | | | cis | -162 | -146.6 | -13.6 | -88.1 | 156.9 | 177.8 | 151.6 | 0 | 105.8 | | |
| 214 | T | 37.9 | Very low | 36.2 | Very low | 123 Ų | 123 | 141 Ų | 141 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | | | cis | -174.7 | 155 | -9.5 | 3.5 | 0 | 0 | 0 | 0 | 105.3 | | |
| 215 | T | 36 | Very low | 36.4 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 65% | 0.65 | 73% | 0.727 | S | S | * | * | | | cis | -161.9 | 144 | -11.1 | -37.7 | 0 | 0 | 0 | 0 | 109.6 | L217 | T215-L217 HydrophobicContact CG2-CD1 4.27Š|
| 216 | P | 36 | Very low | 36.1 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | | | trans | -110.6 | 161.5 | 167.5 | 38.2 | -30.7 | 0 | 0 | 0 | 114.6 | | |
| 217 | L | 40 | Very low | 36.5 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 90% | 0.895 | 73% | 0.728 | S | S | * | * | | | trans | -146 | 176.7 | -177.2 | -103.9 | 107.1 | 0 | 0 | 0 | 116.7 | T215 | T215-L217 HydrophobicContact CG2-CD1 4.27Š|
| 218 | S | 34.1 | Very low | 36.8 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | | | trans | -135.6 | 171.7 | -150.1 | 93.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 219 | S | 33.7 | Very low | 37.1 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | | | cis | -178.4 | -151.9 | -10.7 | 52.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 220 | Q | 38.5 | Very low | 36.8 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | | | trans | 91.9 | 150.3 | 169.4 | -49.9 | -164.2 | 23.3 | 0 | 0 | 117.6 | | |
| 221 | K | 37.6 | Very low | 37.1 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 73% | 0.726 | 73% | 0.726 | S | S | * | * | | | cis | -168.3 | 139.5 | -1.4 | -124.7 | 173.5 | -171.8 | 152.9 | 0 | 115.8 | | |
| 222 | K | 37 | Very low | 36.9 | Very low | 203 Ų | 203 | 134.9 Ų | 134.9 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | | | trans | 45.3 | 164.3 | 140.3 | -77.8 | -177.1 | 179.3 | -177.7 | 0 | 123.6 | | |
| 223 | R | 35.5 | Very low | 37.3 | Very low | 185 Ų | 185 | 135.9 Ų | 135.9 | 70% | 0.698 | 73% | 0.729 | S | S | * | * | | | cis | -170.1 | 118.9 | -10 | 161.3 | -120.7 | 161.1 | -167.5 | -4.5 | 115.8 | | |
| 224 | R | 33 | Very low | 37.4 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 40% | 0.404 | 73% | 0.73 | S | S | . | * | | | | 50.5 | 140.9 | 124.5 | -123.7 | -172.7 | -150.2 | -101.8 | 7.1 | 126.7 | Y226 P948 T949 | R224-Y226 PolarHBondContact NH1-OH 3.15Å; R224-P948 HydrophobicContact CG-CG 3.82Å; R224-P948 VanDerWaalsContact NE-CG 3.33Å; R224-T949 CarbonylContact C-O 3.58Å; R224-T949 WeakPolarHBondContact CA-O 3.5Å |
| 225 | Q | 34.2 | Very low | 37.5 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 44% | 0.444 | 73% | 0.728 | S | S | . | * | | | trans | 109.6 | 177.7 | 147.9 | -62.5 | 160 | -106.1 | 0 | 0 | 120.3 | T949 | Q225-T949 PolarHBondContact N-O 2.75Š|
| 226 | Y | 30.2 | Very low | 37.8 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 63% | 0.627 | 73% | 0.73 | S | S | * | * | | | | -158.6 | 159.2 | -83.7 | -73.1 | -34.8 | 0 | 0 | 0 | 115 | R224 | R224-Y226 PolarHBondContact NH1-OH 3.15Š|
| 227 | P | 47.6 | Very low | 38 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | | | trans | -135.3 | 174.3 | -175.4 | 44 | -28.4 | 0 | 0 | 0 | 119.9 | | |
| 228 | L | 38.4 | Very low | 38.5 | Very low | 183 Ų | 183 | 137.2 Ų | 137.2 | 96% | 0.958 | 72% | 0.722 | S | S | * | * | | | trans | -167.9 | 143 | 167.1 | -179.4 | 60.2 | 0 | 0 | 0 | 117.7 | | |
| 229 | G | 40 | Very low | 38.6 | Very low | 64 Ų | 64 | 139.7 Ų | 139.7 | 66% | 0.66 | 73% | 0.727 | S | S | * | * | | | trans | 120.8 | 165.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 230 | D | 35.9 | Very low | 38.8 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 88% | 0.877 | 73% | 0.733 | S | S | * | * | | | cis | -169.3 | 179.8 | -30.5 | -144.3 | -77.9 | 0 | 0 | 0 | 112.8 | | |
| 231 | G | 40.1 | Very low | 38.8 | Very low | 66 Ų | 66 | 139.2 Ų | 139.2 | 68% | 0.68 | 74% | 0.735 | S | S | * | * | | | trans | 160.1 | 152.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 232 | I | 40.4 | Very low | 38.7 | Very low | 159 Ų | 159 | 137 Ų | 137 | 82% | 0.815 | 74% | 0.736 | S | S | * | * | | | trans | -149.4 | 171.5 | -168.4 | -51.2 | -178.4 | 0 | 0 | 0 | 115 | | |
| 233 | V | 41.1 | Very low | 38.7 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | | | trans | 87.4 | 115 | 170.3 | -173 | 0 | 0 | 0 | 0 | 115.8 | | |
| 234 | T | 38 | Very low | 38.6 | Very low | 130 Ų | 130 | 132 Ų | 132 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | | | cis | 86.8 | 142.8 | 44.8 | 65.2 | 0 | 0 | 0 | 0 | 115.2 | | |
| 235 | K | 39.2 | Very low | 39 | Very low | 163 Ų | 163 | 132.4 Ų | 132.4 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | | | cis | -168.4 | 172.3 | 33.7 | -159.8 | -172.9 | 166.1 | -150.2 | 0 | 113.7 | | |
| 236 | E | 43 | Very low | 39.3 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | | | trans | 68.2 | 154.5 | 158.8 | -79.7 | 146.7 | 166 | 0 | 0 | 122.6 | | |
| 237 | D | 40.6 | Very low | 39.9 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | cis | -171.4 | 167.3 | -30.2 | -162.8 | 16.6 | 0 | 0 | 0 | 114.4 | | |
| 238 | L | 49.8 | Very low | 39.2 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | | | trans | 87.2 | 144.5 | 159.8 | -58.2 | -179.6 | 0 | 0 | 0 | 125 | | |
| 239 | D | 36.1 | Very low | 39.1 | Very low | 156 Ų | 156 | 133.5 Ų | 133.5 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | | | trans | -122.9 | 163.4 | -171.8 | -74.5 | -66.4 | 0 | 0 | 0 | 115.6 | | |
| 240 | S | 39 | Very low | 39 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | 176.4 | 118 | 137.9 | -78.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 241 | T | 38.9 | Very low | 39.1 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | | | | 85.5 | 133.5 | 63.7 | 6.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 242 | T | 34.2 | Very low | 39 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | trans | 72 | 154 | 152.6 | 59.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 243 | L | 36.5 | Very low | 38.5 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | | | cis | -158.8 | -174 | -9.4 | -112.2 | 169.1 | 0 | 0 | 0 | 114.3 | | |
| 244 | T | 33.6 | Very low | 38.3 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | trans | -100.5 | 159.7 | -154.6 | 49.4 | 0 | 0 | 0 | 0 | 121.7 | | |
| 245 | S | 41.7 | Very low | 38 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -171.3 | 152.3 | 156.9 | 43.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 246 | K | 40.6 | Very low | 37.9 | Very low | 169 Ų | 169 | 143.3 Ų | 143.3 | 74% | 0.735 | 77% | 0.771 | S | S | * | * | | | cis | 77.1 | 138.3 | -6.7 | -126.7 | -167.2 | 168.5 | -144.7 | 0 | 118.8 | | |
| 247 | E | 42.1 | Very low | 37.7 | Very low | 138 Ų | 138 | 145 Ų | 145 | 65% | 0.645 | 78% | 0.778 | S | S | * | * | | | cis | -117.5 | 165.1 | 1.8 | -99.5 | 85.6 | 164.3 | 0 | 0 | 110.4 | | |
| 248 | D | 34.3 | Very low | 37.4 | Very low | 140 Ų | 140 | 143.4 Ų | 143.4 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | | | cis | 98.2 | 145.8 | 38.3 | -149.9 | -0.6 | 0 | 0 | 0 | 115.5 | | |
| 249 | L | 36.1 | Very low | 36.7 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | | | trans | 88.4 | 125.3 | 170.3 | -57.3 | -179.9 | 0 | 0 | 0 | 123.9 | | |
| 250 | I | 38.6 | Very low | 36.6 | Very low | 147 Ų | 147 | 149.5 Ų | 149.5 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | | | trans | 73.1 | 124.1 | 147.8 | -60.4 | 160.5 | 0 | 0 | 0 | 120.4 | | |
| 251 | P | 37.4 | Very low | 36.5 | Very low | 122 Ų | 122 | 155.9 Ų | 155.9 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | | | trans | -94.3 | 151.2 | 167.2 | 37.1 | -32.8 | 0 | 0 | 0 | 113.6 | | |
| 252 | R | 37.5 | Very low | 36.2 | Very low | 240 Ų | 240 | 154.7 Ų | 154.7 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | | | trans | -139.4 | 147.4 | 163.1 | -103.1 | -172.7 | 173.9 | -105 | -0.2 | 112.4 | | |
| 253 | T | 30.4 | Very low | 36.1 | Very low | 120 Ų | 120 | 158.5 Ų | 158.5 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | | | trans | -69.6 | 145.7 | 173.1 | -33.1 | 0 | 0 | 0 | 0 | 111 | | |
| 254 | D | 35.8 | Very low | 35.9 | Very low | 153 Ų | 153 | 154.4 Ų | 154.4 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | | -171.2 | 159.3 | 122.6 | -87 | -27.2 | 0 | 0 | 0 | 111 | | |
| 255 | Q | 31.9 | Very low | 36 | Very low | 182 Ų | 182 | 155.9 Ų | 155.9 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | trans | -132.9 | -175.7 | 174.7 | -67.6 | -162.3 | -14.5 | 0 | 0 | 109 | | |
| 256 | P | 37.9 | Very low | 35.9 | Very low | 110 Ų | 110 | 160.1 Ų | 160.1 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | | | | -125.2 | 167.8 | -70.8 | 37.7 | -23.8 | 0 | 0 | 0 | 110.7 | | |
| 257 | E | 38.3 | Very low | 35.9 | Very low | 182 Ų | 182 | 156.5 Ų | 156.5 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | | | trans | -138.9 | 139.6 | 166.2 | -156.6 | 162.1 | -148.1 | 0 | 0 | 113.3 | | |
| 258 | T | 33.7 | Very low | 35.6 | Very low | 103 Ų | 103 | 157.9 Ų | 157.9 | 63% | 0.632 | 82% | 0.815 | S | S | * | * | | | trans | -111 | 131 | -169.7 | 52.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 259 | F | 36.7 | Very low | 35.6 | Very low | 199 Ų | 199 | 154.8 Ų | 154.8 | 87% | 0.873 | 82% | 0.817 | S | S | * | * | | | trans | -137.6 | 129.7 | 154.9 | -86 | -72.9 | 0 | 0 | 0 | 112.6 | | |
| 260 | W | 33.1 | Very low | 35.6 | Very low | 238 Ų | 238 | 153.2 Ų | 153.2 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | | | trans | -93.8 | 144.2 | 178.6 | -62.6 | 86.7 | 0 | 0 | 0 | 111.1 | | |
| 261 | R | 36.8 | Very low | 35.6 | Very low | 251 Ų | 251 | 151.9 Ų | 151.9 | 95% | 0.947 | 82% | 0.816 | S | S | * | * | | | trans | -150 | 136.7 | 148.1 | -151.2 | 169.4 | -65.6 | -169 | 2.5 | 109.5 | | |
| 262 | A | 33.2 | Very low | 36 | Very low | 96 Ų | 96 | 150.2 Ų | 150.2 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | | | trans | -110.3 | 119.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 263 | Q | 31.4 | Very low | 36.6 | Very low | 201 Ų | 201 | 144.9 Ų | 144.9 | 94% | 0.939 | 80% | 0.802 | S | S | * | * | | | trans | -157.4 | 133.6 | 158.6 | -139.3 | 168.1 | -1.1 | 0 | 0 | 108.3 | | |
| 264 | G | 33.6 | Very low | 37.8 | Very low | 69 Ų | 69 | 144.3 Ų | 144.3 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | | | trans | 99.8 | 65.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 265 | L | 35.6 | Very low | 39.7 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | | | trans | -67.7 | 162.9 | 155.2 | -88.4 | 73.7 | 0 | 0 | 0 | 109.6 | | |
| 266 | E | 38.4 | Very low | 42 | Very low | 204 Ų | 204 | 134.7 Ų | 134.7 | 95% | 0.953 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 89.3 | -20.5 | 172.6 | -52.9 | -176.1 | 165.1 | 0 | 0 | 118.5 | | |
| 267 | A | 41.4 | Very low | 43.9 | Very low | 92 Ų | 92 | 135.2 Ų | 135.2 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -92.5 | -4.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 268 | L | 35 | Very low | 46.2 | Very low | 167 Ų | 167 | 130.3 Ų | 130.3 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | | | trans | -126.2 | 85.3 | -174.5 | -88.8 | 159.3 | 0 | 0 | 0 | 112.6 | S270 | L268-S270 PolarHBondContact O-N 2.69Š|
| 269 | G | 35.8 | Very low | 49 | Very low | 76 Ų | 76 | 128.4 Ų | 128.4 | 78% | 0.784 | 74% | 0.736 | S | S | * | * | | | trans | -64.6 | 99 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | V271 | G269-V271 PolarHBondContact O-N 3.34Š|
| 270 | S | 35.1 | Very low | 51.6 | Low | 106 Ų | 106 | 126.3 Ų | 126.3 | 74% | 0.741 | 72% | 0.722 | S | S | * | * | | | trans | -49.2 | 129.5 | -166.3 | -173.9 | 0 | 0 | 0 | 0 | 113.9 | L268 A272 | L268-S270 PolarHBondContact O-N 2.69Å; S270-A272 PolarHBondContact O-N 2.6Å |
| 271 | V | 38.9 | Very low | 54.4 | Low | 119 Ų | 119 | 119 Ų | 119 | 72% | 0.721 | 70% | 0.704 | S | S | * | * | | | trans | -69.8 | 81.9 | 171.4 | -177 | 0 | 0 | 0 | 0 | 108.5 | G269 N273 | G269-V271 PolarHBondContact O-N 3.34Å; V271-N273 PolarHBondContact O-N 2.78Å |
| 272 | A | 44.8 | Very low | 57 | Low | 88 Ų | 88 | 111.8 Ų | 111.8 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | | | trans | -70.4 | 79.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | S270 A274 | S270-A272 PolarHBondContact O-N 2.6Å; A272-A274 PolarHBondContact O-N 2.82Å |
| 273 | N | 50.9 | Low | 59.8 | Low | 127 Ų | 127 | 113.9 Ų | 113.9 | 68% | 0.679 | 67% | 0.668 | S | S | * | * | | | trans | -42.2 | 126.9 | 177 | -76.5 | -34.3 | 0 | 0 | 0 | 110.3 | V271 L275 | V271-N273 PolarHBondContact O-N 2.78Å; N273-L275 PolarHBondContact O-N 3.28Å |
| 274 | A | 54.7 | Low | 62.7 | Low | 109 Ų | 109 | 108.3 Ų | 108.3 | 90% | 0.901 | 65% | 0.645 | S | S | * | * | | | trans | -73.1 | 71.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A272 S276 | A272-A274 PolarHBondContact O-N 2.82Å; A274-S276 PolarHBondContact O-N 2.84Å |
| 275 | L | 76.1 | Confident | 65.6 | Low | 74 Ų | 74 | 111.2 Ų | 111.2 | 39% | 0.387 | 63% | 0.634 | S | S | . | * | | | trans | -51.2 | 135.5 | 175.8 | -70.8 | 176.8 | 0 | 0 | 0 | 110.3 | N273 D279 | N273-L275 PolarHBondContact O-N 3.28Å; L275-D279 HydrophobicContact CB-CB 4.25Å; L275-D279 HydrophobicContact CD2-CB 4.1Å |
| 276 | S | 80.6 | Confident | 68.4 | Low | 59 Ų | 59 | 108.1 Ų | 108.1 | 41% | 0.413 | 62% | 0.618 | S | S | . | * | | | trans | -57.6 | 154.2 | 173.8 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | A274 S278 D279 R280 | A274-S276 PolarHBondContact O-N 2.84Å; S276-S278 PolarHBondContact O-N 3.32Å; S276-S278 PolarHBondContact OG-N 2.89Å; S276-D279 WeakPolarHBondContact CB-OD1 3.3Å; S276-D279 WeakPolarHBondContact CB-OD2 3.31Å; S276-D279 PolarHBondContact N-OD2 3.47Å; S276-D279 PolarHBondContact O-N 3.01Å; S276-D279 VanDerWaalsContact O-N 3.08Å; S276-R280 PolarHBondContact O-N 3.06Å |
| 277 | L | 78.6 | Confident | 71 | Confident | 121 Ų | 121 | 103 Ų | 103 | 63% | 0.634 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -57.6 | -32.7 | 173.7 | -162.9 | 149.4 | 0 | 0 | 0 | 110.3 | V281 | L277-V281 HydrophobicContact CD2-CG2 4.04Å; L277-V281 WeakPolarHBondContact O-CB 3.27Å; L277-V281 VanDerWaalsContact O-CG2 3.26Å; L277-V281 WeakPolarHBondContact O-CG2 3.35Å; L277-V281 PolarHBondContact O-N 2.94Å |
| 278 | S | 86.7 | Confident | 73.4 | Confident | 78 Ų | 78 | 103.6 Ų | 103.6 | 55% | 0.545 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -58 | -59.4 | 168.8 | -55 | 0 | 0 | 0 | 0 | 112.3 | S276 R280 V281 E282 | S276-S278 PolarHBondContact O-N 3.32Å; S276-S278 PolarHBondContact OG-N 2.89Å; S278-R280 PolarHBondContact O-N 3.48Å; S278-R280 VanDerWaalsContact O-N 3.16Å; S278-V281 CarbonylContact O-C 3.02Å; S278-V281 WeakPolarHBondContact O-CA 3.2Å; S278-V281 PolarHBondContact O-N 2.86Å; S278-E282 PolarHBondContact O-N 3.04Å |
| 279 | D | 91.9 | Very high | 76.2 | Confident | 64 Ų | 64 | 99.5 Ų | 99.5 | 34% | 0.342 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.7 | -30.1 | -176.3 | -31 | -27.3 | 0 | 0 | 0 | 112.6 | L275 S276 R283 | L275-D279 HydrophobicContact CB-CB 4.25Å; L275-D279 HydrophobicContact CD2-CB 4.1Å; S276-D279 WeakPolarHBondContact CB-OD1 3.3Å; S276-D279 WeakPolarHBondContact CB-OD2 3.31Å; S276-D279 PolarHBondContact N-OD2 3.47Å; S276-D279 PolarHBondContact O-N 3.01Å; S276-D279 VanDerWaalsContact O-N 3.08Å; D279-R283 WeakPolarHBondContact O-CB 3.16Å; D279-R283 WeakPolarHBondContact O-CG 3.5Å; D279-R283 PolarHBondContact O-N 3.12Å |
| 280 | R | 91.7 | Very high | 78.6 | Confident | 154 Ų | 154 | 101.7 Ų | 101.7 | 58% | 0.581 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -76.5 | -36.2 | 175.5 | -162.9 | 176.8 | 69.8 | -175.5 | 1.1 | 112 | S276 S278 N284 | S276-R280 PolarHBondContact O-N 3.06Å; S278-R280 PolarHBondContact O-N 3.48Å; S278-R280 VanDerWaalsContact O-N 3.16Å; R280-N284 WeakPolarHBondContact O-CB 3.35Å; R280-N284 VanDerWaalsContact O-CG 3.24Å; R280-N284 PolarHBondContact O-N 2.6Å; R280-N284 PolarHBondContact O-ND2 3.26Å |
| 281 | V | 92 | Very high | 81.1 | Confident | 85 Ų | 85 | 101.1 Ų | 101.1 | 52% | 0.515 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.3 | -40.3 | 170.9 | 167 | 0 | 0 | 0 | 0 | 111 | L277 S278 N284 R285 | L277-V281 HydrophobicContact CD2-CG2 4.04Å; L277-V281 WeakPolarHBondContact O-CB 3.27Å; L277-V281 VanDerWaalsContact O-CG2 3.26Å; L277-V281 WeakPolarHBondContact O-CG2 3.35Å; L277-V281 PolarHBondContact O-N 2.94Å; S278-V281 CarbonylContact O-C 3.02Å; S278-V281 WeakPolarHBondContact O-CA 3.2Å; S278-V281 PolarHBondContact O-N 2.86Å; V281-N284 PolarHBondContact O-N 2.9Å; V281-R285 WeakPolarHBondContact O-CB 3.26Å; V281-R285 PolarHBondContact O-N 3.21Å |
| 282 | E | 91.7 | Very high | 83.4 | Confident | 99 Ų | 99 | 100.5 Ų | 100.5 | 46% | 0.463 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 176 | -71.9 | -126.4 | 104.5 | 0 | 0 | 112.3 | S278 N284 R285 L286 | S278-E282 PolarHBondContact O-N 3.04Å; E282-N284 VanDerWaalsContact C-N 3.32Å; E282-N284 PolarHBondContact O-N 3.01Å; E282-R285 WeakPolarHBondContact O-CB 3.34Å; E282-R285 PolarHBondContact O-N 2.95Å; E282-R285 VanDerWaalsContact O-N 3.13Å; E282-R285 IonicContact OE1-CZ 2.75Å; E282-R285 IonicContact OE1-NE 3.53Å; E282-R285 IonicContact OE1-NH2 3.15Å; E282-R285 PolarHBondContact OE1-NH2 3.29Å; E282-L286 WeakPolarHBondContact O-CG 3.31Å; E282-L286 PolarHBondContact O-N 3.06Å |
| 283 | R | 91.1 | Very high | 85.2 | Confident | 140 Ų | 140 | 102.6 Ų | 102.6 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.2 | -44.4 | 170.8 | -83.6 | -178.4 | 176 | 76.7 | -5.4 | 112.1 | D279 R285 L286 L287 | D279-R283 WeakPolarHBondContact O-CB 3.16Å; D279-R283 WeakPolarHBondContact O-CG 3.5Å; D279-R283 PolarHBondContact O-N 3.12Å; R283-R285 VanDerWaalsContact C-N 3.33Å; R283-R285 PolarHBondContact O-N 3.5Å; R283-L286 PolarHBondContact O-N 3.05Å; R283-L287 VanDerWaalsContact O-CB 3.28Å; R283-L287 WeakPolarHBondContact O-CB 3.44Å; R283-L287 PolarHBondContact O-N 3.46Å |
| 284 | N | 92.8 | Very high | 86.4 | Confident | 85 Ų | 85 | 101.2 Ų | 101.2 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 176.1 | -74.6 | -10.8 | 0 | 0 | 0 | 112.3 | R280 V281 E282 L288 | R280-N284 WeakPolarHBondContact O-CB 3.35Å; R280-N284 VanDerWaalsContact O-CG 3.24Å; R280-N284 PolarHBondContact O-N 2.6Å; R280-N284 PolarHBondContact O-ND2 3.26Å; V281-N284 PolarHBondContact O-N 2.9Å; E282-N284 VanDerWaalsContact C-N 3.32Å; E282-N284 PolarHBondContact O-N 3.01Å; N284-L288 WeakPolarHBondContact O-CB 3.46Å; N284-L288 VanDerWaalsContact O-CG 3.26Å; N284-L288 WeakPolarHBondContact O-CG 3.26Å; N284-L288 PolarHBondContact O-N 3.15Å |
| 285 | R | 94.5 | Very high | 86.7 | Confident | 129 Ų | 129 | 100 Ų | 100 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 174.7 | -173.3 | 179.4 | 70.8 | 120.5 | -6.8 | 111.6 | V281 E282 R283 L288 Q289 | V281-R285 WeakPolarHBondContact O-CB 3.26Å; V281-R285 PolarHBondContact O-N 3.21Å; E282-R285 WeakPolarHBondContact O-CB 3.34Å; E282-R285 PolarHBondContact O-N 2.95Å; E282-R285 VanDerWaalsContact O-N 3.13Å; E282-R285 IonicContact OE1-CZ 2.75Å; E282-R285 IonicContact OE1-NE 3.53Å; E282-R285 IonicContact OE1-NH2 3.15Å; E282-R285 PolarHBondContact OE1-NH2 3.29Å; R283-R285 VanDerWaalsContact C-N 3.33Å; R283-R285 PolarHBondContact O-N 3.5Å; R285-L288 PolarHBondContact O-N 3.12Å; R285-Q289 WeakPolarHBondContact O-CG 3.24Å; R285-Q289 PolarHBondContact O-N 2.91Å |
| 286 | L | 93.7 | Very high | 86 | Confident | 94 Ų | 94 | 106.8 Ų | 106.8 | 49% | 0.492 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.9 | -46.4 | 177.5 | -70 | 171.5 | 0 | 0 | 0 | 111.3 | E282 R283 L288 Q289 E290 | E282-L286 WeakPolarHBondContact O-CG 3.31Å; E282-L286 PolarHBondContact O-N 3.06Å; R283-L286 PolarHBondContact O-N 3.05Å; L286-L288 VanDerWaalsContact C-N 3.31Å; L286-L288 PolarHBondContact O-N 3.01Å; L286-Q289 CarbonylContact O-C 3.57Å; L286-Q289 WeakPolarHBondContact O-CB 3.13Å; L286-Q289 PolarHBondContact O-N 3.02Å; L286-Q289 VanDerWaalsContact O-N 3.1Å; L286-E290 WeakPolarHBondContact O-CB 3.11Å; L286-E290 PolarHBondContact O-N 3.5Å |
| 287 | L | 93.6 | Very high | 84.6 | Confident | 97 Ų | 97 | 111.6 Ų | 111.6 | 51% | 0.508 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.3 | -41.9 | 175.6 | -176.5 | 67.2 | 0 | 0 | 0 | 111.9 | R283 E290 I291 | R283-L287 VanDerWaalsContact O-CB 3.28Å; R283-L287 WeakPolarHBondContact O-CB 3.44Å; R283-L287 PolarHBondContact O-N 3.46Å; L287-E290 PolarHBondContact O-N 2.93Å; L287-I291 HydrophobicContact CD1-CD1 4.39Å; L287-I291 HydrophobicContact CG-CD1 4.03Å; L287-I291 WeakPolarHBondContact O-CB 3.14Å; L287-I291 VanDerWaalsContact O-CG1 3.27Å; L287-I291 WeakPolarHBondContact O-CG1 2.96Å; L287-I291 PolarHBondContact O-N 2.86Å |
| 288 | L | 91.3 | Very high | 82.7 | Confident | 104 Ų | 104 | 111.1 Ų | 111.1 | 55% | 0.545 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.2 | -40.5 | 174.2 | -75.4 | 169.2 | 0 | 0 | 0 | 112.4 | N284 R285 L286 E290 L292 | N284-L288 WeakPolarHBondContact O-CB 3.46Å; N284-L288 VanDerWaalsContact O-CG 3.26Å; N284-L288 WeakPolarHBondContact O-CG 3.26Å; N284-L288 PolarHBondContact O-N 3.15Å; R285-L288 PolarHBondContact O-N 3.12Å; L286-L288 VanDerWaalsContact C-N 3.31Å; L286-L288 PolarHBondContact O-N 3.01Å; L288-E290 VanDerWaalsContact C-N 3.3Å; L288-E290 PolarHBondContact O-N 2.61Å; L288-L292 VanDerWaalsContact O-CB 3.31Å; L288-L292 WeakPolarHBondContact O-CB 3.25Å; L288-L292 WeakPolarHBondContact O-CD1 3.44Å; L288-L292 WeakPolarHBondContact O-CG 3.49Å; L288-L292 PolarHBondContact O-N 2.88Å |
| 289 | Q | 93 | Very high | 80.8 | Confident | 81 Ų | 81 | 112.5 Ų | 112.5 | 38% | 0.379 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63 | -36.5 | 172.8 | -75.6 | -174.7 | 6.9 | 0 | 0 | 112.3 | R285 L286 L292 K293 | R285-Q289 WeakPolarHBondContact O-CG 3.24Å; R285-Q289 PolarHBondContact O-N 2.91Å; L286-Q289 CarbonylContact O-C 3.57Å; L286-Q289 WeakPolarHBondContact O-CB 3.13Å; L286-Q289 PolarHBondContact O-N 3.02Å; L286-Q289 VanDerWaalsContact O-N 3.1Å; Q289-L292 CarbonylContact O-C 3.56Å; Q289-L292 PolarHBondContact O-N 2.96Å; Q289-K293 WeakPolarHBondContact O-CB 3.28Å; Q289-K293 VanDerWaalsContact O-CG 3.24Å; Q289-K293 WeakPolarHBondContact O-CG 3.33Å; Q289-K293 PolarHBondContact O-N 2.76Å |
| 290 | E | 87.5 | Confident | 78.5 | Confident | 122 Ų | 122 | 115.7 Ų | 115.7 | 57% | 0.57 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.9 | -44.8 | 179.4 | -167.5 | 161.9 | -172.4 | 0 | 0 | 111.6 | L286 L287 L288 L292 K293 V294 | L286-E290 WeakPolarHBondContact O-CB 3.11Å; L286-E290 PolarHBondContact O-N 3.5Å; L287-E290 PolarHBondContact O-N 2.93Å; L288-E290 VanDerWaalsContact C-N 3.3Å; L288-E290 PolarHBondContact O-N 2.61Å; E290-L292 VanDerWaalsContact C-N 3.26Å; E290-L292 PolarHBondContact O-N 2.78Å; E290-K293 PolarHBondContact O-N 2.87Å; E290-V294 HydrophobicContact CG-CG2 4.48Å; E290-V294 WeakPolarHBondContact O-CG2 3.19Å; E290-V294 PolarHBondContact O-N 3.18Å |
| 291 | I | 86.9 | Confident | 76.3 | Confident | 94 Ų | 94 | 118.4 Ų | 118.4 | 48% | 0.482 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -56.9 | -40.5 | 170.3 | -68.5 | 164.6 | 0 | 0 | 0 | 110.9 | L287 K293 S295 | L287-I291 HydrophobicContact CD1-CD1 4.39Å; L287-I291 HydrophobicContact CG-CD1 4.03Å; L287-I291 WeakPolarHBondContact O-CB 3.14Å; L287-I291 VanDerWaalsContact O-CG1 3.27Å; L287-I291 WeakPolarHBondContact O-CG1 2.96Å; L287-I291 PolarHBondContact O-N 2.86Å; I291-K293 VanDerWaalsContact C-N 3.35Å; I291-S295 VanDerWaalsContact O-CB 3.27Å; I291-S295 WeakPolarHBondContact O-CB 3.14Å; I291-S295 PolarHBondContact O-N 2.94Å; I291-S295 PolarHBondContact O-OG 3Å |
| 292 | L | 86.5 | Confident | 73.8 | Confident | 107 Ų | 107 | 119 Ų | 119 | 56% | 0.56 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -74.3 | -18.3 | 176.7 | -71.2 | 170.6 | 0 | 0 | 0 | 114.4 | L288 Q289 E290 S295 R296 | L288-L292 VanDerWaalsContact O-CB 3.31Å; L288-L292 WeakPolarHBondContact O-CB 3.25Å; L288-L292 WeakPolarHBondContact O-CD1 3.44Å; L288-L292 WeakPolarHBondContact O-CG 3.49Å; L288-L292 PolarHBondContact O-N 2.88Å; Q289-L292 CarbonylContact O-C 3.56Å; Q289-L292 PolarHBondContact O-N 2.96Å; E290-L292 VanDerWaalsContact C-N 3.26Å; E290-L292 PolarHBondContact O-N 2.78Å; L292-S295 WeakPolarHBondContact CA-OG 3.49Å; L292-R296 WeakPolarHBondContact O-CD 3.35Å; L292-R296 WeakPolarHBondContact O-CG 3.32Å |
| 293 | K | 83.2 | Confident | 71.1 | Confident | 132 Ų | 132 | 118 Ų | 118 | 57% | 0.574 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -83 | -50.1 | 170.3 | -76.2 | 165.6 | -179.4 | 176.5 | 0 | 110.8 | Q289 E290 I291 S295 R296 | Q289-K293 WeakPolarHBondContact O-CB 3.28Å; Q289-K293 VanDerWaalsContact O-CG 3.24Å; Q289-K293 WeakPolarHBondContact O-CG 3.33Å; Q289-K293 PolarHBondContact O-N 2.76Å; E290-K293 PolarHBondContact O-N 2.87Å; I291-K293 VanDerWaalsContact C-N 3.35Å; K293-S295 PolarHBondContact O-N 2.82Å; K293-R296 WeakPolarHBondContact O-CB 3.4Å; K293-R296 PolarHBondContact O-N 2.97Å |
| 294 | V | 75.8 | Confident | 68.3 | Low | 97 Ų | 97 | 117.3 Ų | 117.3 | 59% | 0.588 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -62.1 | -42.4 | 179.8 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | E290 R296 Q297 | E290-V294 HydrophobicContact CG-CG2 4.48Å; E290-V294 WeakPolarHBondContact O-CG2 3.19Å; E290-V294 PolarHBondContact O-N 3.18Å; V294-R296 PolarHBondContact O-N 2.82Å; V294-R296 VanDerWaalsContact O-N 3.11Å; V294-Q297 PolarHBondContact O-N 3.29Å |
| 295 | S | 62 | Low | 66 | Low | 84 Ų | 84 | 118 Ų | 118 | 59% | 0.587 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -7.8 | 175.1 | 56.7 | 0 | 0 | 0 | 0 | 114.8 | I291 L292 K293 | I291-S295 VanDerWaalsContact O-CB 3.27Å; I291-S295 WeakPolarHBondContact O-CB 3.14Å; I291-S295 PolarHBondContact O-N 2.94Å; I291-S295 PolarHBondContact O-OG 3Å; L292-S295 WeakPolarHBondContact CA-OG 3.49Å; K293-S295 PolarHBondContact O-N 2.82Å |
| 296 | R | 60.3 | Low | 63.1 | Low | 216 Ų | 216 | 118.7 Ų | 118.7 | 82% | 0.815 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -1.6 | 169.6 | -72.3 | 177.5 | 175.1 | -102.3 | 0.7 | 113.7 | L292 K293 V294 | L292-R296 WeakPolarHBondContact O-CD 3.35Å; L292-R296 WeakPolarHBondContact O-CG 3.32Å; K293-R296 WeakPolarHBondContact O-CB 3.4Å; K293-R296 PolarHBondContact O-N 2.97Å; V294-R296 PolarHBondContact O-N 2.82Å; V294-R296 VanDerWaalsContact O-N 3.11Å |
| 297 | Q | 51.9 | Low | 60.4 | Low | 160 Ų | 160 | 126.2 Ų | 126.2 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | | | trans | -117.3 | 62.1 | -179.6 | -68.1 | -172.2 | -15.1 | 0 | 0 | 111.7 | V294 | V294-Q297 PolarHBondContact O-N 3.29Š|
| 298 | S | 38.3 | Very low | 57.7 | Low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 125 | 161.6 | 179.6 | 0 | 0 | 0 | 0 | 109 | | |
| 299 | P | 48.1 | Very low | 54.7 | Low | 107 Ų | 107 | 126.7 Ų | 126.7 | 70% | 0.695 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 149.3 | -177.1 | 27.9 | -34.7 | 0 | 0 | 0 | 112.3 | K301 | P299-K301 PolarHBondContact O-N 2.8Š|
| 300 | P | 43.5 | Very low | 52.2 | Low | 131 Ų | 131 | 133.3 Ų | 133.3 | 85% | 0.851 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 127.1 | 178.4 | 29.4 | -33.9 | 0 | 0 | 0 | 110.8 | | |
| 301 | K | 44.4 | Very low | 49.6 | Very low | 212 Ų | 212 | 132.7 Ų | 132.7 | 92% | 0.922 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -89 | 116.4 | 178.4 | -169.6 | 175.6 | -178.2 | -178.5 | 0 | 110.4 | P299 | P299-K301 PolarHBondContact O-N 2.8Š|
| 302 | A | 40.2 | Very low | 47.3 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 156.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 303 | G | 34.9 | Very low | 45 | Very low | 77 Ų | 77 | 138 Ų | 138 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | | | trans | 115.9 | 127.3 | 150.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 304 | S | 32.8 | Very low | 42.7 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 89% | 0.888 | 75% | 0.752 | S | S | * | * | | | trans | 80 | 143.3 | 162.9 | -146.3 | 0 | 0 | 0 | 0 | 118.5 | | |
| 305 | P | 43.1 | Very low | 41 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | | | trans | -130.8 | -167.7 | -154.2 | 42 | -22.6 | 0 | 0 | 0 | 116 | | |
| 306 | D | 33.8 | Very low | 39.5 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | | | trans | 67.6 | 101.5 | 156 | -57.2 | -28.1 | 0 | 0 | 0 | 121.1 | | |
| 307 | W | 37 | Very low | 38.4 | Very low | 252 Ų | 252 | 140.3 Ų | 140.3 | 96% | 0.955 | 77% | 0.77 | S | S | * | * | | | | -156 | 140.7 | 105.3 | -117 | -28 | 0 | 0 | 0 | 113.9 | | |
| 308 | T | 36.5 | Very low | 38 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 69% | 0.693 | 77% | 0.77 | S | S | * | * | | | trans | -51.5 | 141.4 | 172.5 | 43.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 309 | S | 28.9 | Very low | 38 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | | | | 76.7 | 99.8 | 54 | 176.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 310 | W | 40.4 | Very low | 37.6 | Very low | 221 Ų | 221 | 135.5 Ų | 135.5 | 84% | 0.837 | 77% | 0.77 | S | S | * | * | | | trans | -152.2 | 136.4 | 141.2 | -66.4 | 103.2 | 0 | 0 | 0 | 106 | | |
| 311 | D | 33.9 | Very low | 37.3 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 58% | 0.578 | 77% | 0.773 | S | S | * | * | | | cis | 72 | 135.9 | 48.8 | -144.8 | 32.3 | 0 | 0 | 0 | 111.1 | | |
| 312 | R | 38.7 | Very low | 37.8 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 67% | 0.672 | 76% | 0.759 | S | S | * | * | | | cis | -158.2 | 171 | 15.1 | -160.8 | -179.3 | -73 | 177 | -0.9 | 111.9 | | |
| 313 | D | 36.5 | Very low | 37.8 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | | | trans | 55.7 | 132.5 | 160.5 | -62.5 | -37.9 | 0 | 0 | 0 | 119.3 | | |
| 314 | A | 35.4 | Very low | 38.3 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 78% | 0.777 | 73% | 0.731 | S | S | * | * | | | cis | 85.4 | 96.3 | 27.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 315 | S | 39.7 | Very low | 38.5 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 90% | 0.902 | 71% | 0.707 | S | S | * | * | | | trans | -148 | 146.7 | 140.3 | -167.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 316 | E | 32 | Very low | 38.3 | Very low | 146 Ų | 146 | 132 Ų | 132 | 68% | 0.682 | 70% | 0.704 | S | S | * | * | | | trans | -116.1 | 139.8 | -166.9 | 174 | 157.4 | -144.3 | 0 | 0 | 111.2 | | |
| 317 | R | 36.4 | Very low | 38.3 | Very low | 209 Ų | 209 | 128.9 Ų | 128.9 | 79% | 0.789 | 71% | 0.705 | S | S | * | * | | | trans | 17.3 | 170.7 | 143.8 | -69.9 | -179.6 | -178.9 | 128.7 | -7.9 | 121.7 | | |
| 318 | P | 42.7 | Very low | 38.1 | Very low | 113 Ų | 113 | 122.9 Ų | 122.9 | 73% | 0.734 | 70% | 0.696 | S | S | * | * | | | cis | -139.8 | -150.4 | -30.2 | 37.5 | -16.7 | 0 | 0 | 0 | 111.6 | | |
| 319 | A | 38.5 | Very low | 38.1 | Very low | 98 Ų | 98 | 123.2 Ų | 123.2 | 81% | 0.81 | 70% | 0.7 | S | S | * | * | | | trans | 92.1 | 154.5 | 152.9 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 320 | G | 39.4 | Very low | 38.8 | Very low | 65 Ų | 65 | 127.1 Ų | 127.1 | 67% | 0.67 | 71% | 0.708 | S | S | * | * | | | trans | 81.7 | 112.6 | -156.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 321 | D | 38.5 | Very low | 38.7 | Very low | 170 Ų | 170 | 124.6 Ų | 124.6 | 91% | 0.909 | 71% | 0.705 | S | S | * | * | | | cis | 59.4 | 64.4 | 39.3 | -158.2 | 34.8 | 0 | 0 | 0 | 113 | | |
| 322 | V | 54.2 | Low | 39 | Very low | 103 Ų | 103 | 126.5 Ų | 126.5 | 62% | 0.624 | 72% | 0.715 | S | S | * | * | | | trans | -136.2 | 117.5 | 162.9 | -179.2 | 0 | 0 | 0 | 0 | 107.4 | W324 | V322-W324 HydrophobicContact CG1-CZ2 3.94Š|
| 323 | D | 40.8 | Very low | 38.9 | Very low | 59 Ų | 59 | 123.6 Ų | 123.6 | 32% | 0.316 | 72% | 0.722 | S | S | . | * | | | trans | -67.6 | 148.1 | 169.1 | 177.5 | 58.5 | 0 | 0 | 0 | 111.5 | G120 V121 A122 D325 | G120-D323 VanDerWaalsContact CA-OD1 3.24Å; G120-D323 WeakPolarHBondContact CA-OD1 3.29Å; V121-D323 WeakPolarHBondContact CA-OD1 3.35Å; V121-D323 WeakPolarHBondContact CA-OD2 3.41Å; V121-D323 PolarHBondContact N-OD2 3.14Å; A122-D323 PolarHBondContact N-OD2 3.36Å; A122-D323 VanDerWaalsContact N-OD2 3.1Å; D323-D325 PolarHBondContact OD2-N 3.27Å; D323-D325 VanDerWaalsContact OD2-N 3.12Å |
| 324 | W | 44.4 | Very low | 39.1 | Very low | 184 Ų | 184 | 120.4 Ų | 120.4 | 70% | 0.697 | 72% | 0.721 | S | S | * | * | | | trans | -138.9 | 97.3 | 158.7 | -62.1 | 97 | 0 | 0 | 0 | 108.8 | T119 V322 | T119-W324 VanDerWaalsContact CG2-O 3.24Å; T119-W324 WeakPolarHBondContact CG2-O 3.28Å; V322-W324 HydrophobicContact CG1-CZ2 3.94Å |
| 325 | D | 38.4 | Very low | 39.5 | Very low | 73 Ų | 73 | 125.5 Ų | 125.5 | 39% | 0.39 | 73% | 0.729 | S | S | . | * | | | | -85.7 | 171.5 | 120.6 | -143.5 | -38.8 | 0 | 0 | 0 | 109.7 | T119 D323 | T119-D325 WeakPolarHBondContact CB-OD2 3.12Å; T119-D325 HydrophobicContact CG2-CB 4.13Å; T119-D325 VanDerWaalsContact OG1-CG 3.24Å; T119-D325 PolarHBondContact OG1-OD2 2.85Å; D323-D325 PolarHBondContact OD2-N 3.27Å; D323-D325 VanDerWaalsContact OD2-N 3.12Å |
| 326 | S | 37.6 | Very low | 39.2 | Very low | 82 Ų | 82 | 124.9 Ų | 124.9 | 57% | 0.573 | 73% | 0.725 | S | S | * | * | | | trans | 69.9 | 113.6 | -164.1 | -41.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 327 | G | 33.9 | Very low | 39.7 | Very low | 76 Ų | 76 | 129.1 Ų | 129.1 | 78% | 0.784 | 74% | 0.735 | S | S | * | * | | | cis | 90.5 | 38.8 | 7.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 328 | T | 34.5 | Very low | 39.8 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | | | trans | -117.7 | 112.2 | 170.5 | 41.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 329 | P | 35.9 | Very low | 39.3 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | | | trans | -95.3 | 126.3 | 172.6 | 33.9 | -29 | 0 | 0 | 0 | 111.4 | | |
| 330 | Q | 44.1 | Very low | 39.6 | Very low | 179 Ų | 179 | 131 Ų | 131 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | | | trans | -148.1 | 108.8 | 172.6 | -148.9 | 167.4 | -49.4 | 0 | 0 | 107.4 | | |
| 331 | Q | 36.5 | Very low | 39.6 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | | | | 54.1 | 88 | 79.6 | -68.6 | -162.8 | -92.5 | 0 | 0 | 113.6 | | |
| 332 | D | 41.2 | Very low | 39.5 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | | | | -160.8 | 139 | 99.4 | -100.9 | -32.2 | 0 | 0 | 0 | 109.1 | | |
| 333 | S | 36.6 | Very low | 39 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | | 73.7 | 114.8 | 67.2 | -163.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 334 | G | 41.5 | Very low | 38.9 | Very low | 68 Ų | 68 | 142.4 Ų | 142.4 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | trans | 171 | 52.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 335 | Q | 43.4 | Very low | 39.1 | Very low | 201 Ų | 201 | 138.9 Ų | 138.9 | 94% | 0.939 | 78% | 0.775 | S | S | * | * | | | trans | 59.2 | 126.9 | 154.3 | -54.6 | -176.6 | 11.9 | 0 | 0 | 120.3 | | |
| 336 | S | 32.8 | Very low | 39.4 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | | | trans | -94.1 | 152.4 | 174.6 | 51.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 337 | R | 41.6 | Very low | 40 | Very low | 236 Ų | 236 | 142.3 Ų | 142.3 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | | | trans | -159.6 | 121 | 150.5 | -116.4 | 173.4 | -174.1 | -164.1 | 0.5 | 115.8 | | |
| 338 | T | 39.5 | Very low | 41.7 | Very low | 127 Ų | 127 | 142.2 Ų | 142.2 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | trans | 74.5 | 139.7 | 147.6 | -46.3 | 0 | 0 | 0 | 0 | 119.8 | | |
| 339 | F | 32.6 | Very low | 43.5 | Very low | 195 Ų | 195 | 139.9 Ų | 139.9 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | | | trans | -104.1 | 150.3 | -176.5 | -63.5 | -104.8 | 0 | 0 | 0 | 112.5 | | |
| 340 | V | 44.3 | Very low | 45.6 | Very low | 136 Ų | 136 | 143.6 Ų | 143.6 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | trans | -137.8 | 118.6 | 151 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 341 | P | 38.8 | Very low | 47.4 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | | | trans | -84 | 131.9 | -179.8 | 32.3 | -32.7 | 0 | 0 | 0 | 111.5 | | |
| 342 | K | 37.4 | Very low | 49.7 | Very low | 190 Ų | 190 | 134.3 Ų | 134.3 | 83% | 0.826 | 73% | 0.727 | S | S | * | * | | | trans | -140.1 | 93.1 | 177 | -162.9 | 169 | -174.7 | 175 | 0 | 113.3 | | |
| 343 | L | 43.4 | Very low | 51.8 | Low | 159 Ų | 159 | 133 Ų | 133 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | | | trans | 48.6 | 107 | 154.7 | -65.1 | 164.3 | 0 | 0 | 0 | 117.8 | | |
| 344 | E | 38.4 | Very low | 54.3 | Low | 165 Ų | 165 | 129.9 Ų | 129.9 | 77% | 0.771 | 70% | 0.698 | S | S | * | * | | | trans | -64.7 | 132.1 | 162.4 | -171.4 | -169.4 | -121.3 | 0 | 0 | 110.4 | T346 | E344-T346 PolarHBondContact O-N 3Å; E344-T346 VanDerWaalsContact O-N 3.14Å |
| 345 | P | 48.1 | Very low | 56.4 | Low | 109 Ų | 109 | 130.3 Ų | 130.3 | 71% | 0.708 | 68% | 0.681 | S | S | * | * | | | trans | -68.8 | 108.5 | 173 | -18.2 | 32 | 0 | 0 | 0 | 111.1 | L347 | P345-L347 PolarHBondContact O-N 3.39Š|
| 346 | T | 45.7 | Very low | 58.4 | Low | 133 Ų | 133 | 124.2 Ų | 124.2 | 82% | 0.816 | 65% | 0.654 | S | S | * | * | | | trans | -52.9 | 112.5 | -178.2 | -46.4 | 0 | 0 | 0 | 0 | 111.5 | E344 S348 | E344-T346 PolarHBondContact O-N 3Å; E344-T346 VanDerWaalsContact O-N 3.14Å; T346-S348 PolarHBondContact O-N 3.46Å; T346-S348 VanDerWaalsContact O-N 3.1Å |
| 347 | L | 50.9 | Low | 61 | Low | 94 Ų | 94 | 124 Ų | 124 | 49% | 0.492 | 64% | 0.644 | S | S | . | * | | | trans | -60.1 | 116.9 | -178.5 | -65.1 | 176.8 | 0 | 0 | 0 | 110.2 | P345 | P345-L347 PolarHBondContact O-N 3.39Š|
| 348 | S | 68.5 | Low | 63.1 | Low | 75 Ų | 75 | 117.7 Ų | 117.7 | 52% | 0.524 | 63% | 0.627 | S | S | . | * | | | trans | -54.5 | 147.4 | -175.2 | 72.1 | 0 | 0 | 0 | 0 | 112.3 | T346 R350 H351 | T346-S348 PolarHBondContact O-N 3.46Å; T346-S348 VanDerWaalsContact O-N 3.1Å; S348-R350 PolarHBondContact O-N 2.89Å; S348-H351 VanDerWaalsContact O-CB 3.3Å; S348-H351 WeakPolarHBondContact O-CB 3.32Å; S348-H351 PolarHBondContact O-N 3.03Å |
| 349 | A | 73 | Confident | 65.1 | Low | 77 Ų | 77 | 119.8 Ų | 119.8 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -50.6 | -34.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | H351 E352 E353 | A349-H351 PolarHBondContact O-N 3.46Å; A349-E352 PolarHBondContact O-N 3.07Å; A349-E352 VanDerWaalsContact O-N 3.12Å; A349-E353 WeakPolarHBondContact O-CG 3.5Å; A349-E353 PolarHBondContact O-N 2.86Å |
| 350 | R | 79.5 | Confident | 67.4 | Low | 199 Ų | 199 | 119.1 Ų | 119.1 | 75% | 0.751 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -60.4 | -28.3 | 176.4 | -146.4 | -179.2 | -166.5 | -163.7 | 2.5 | 113.8 | S348 A354 | S348-R350 PolarHBondContact O-N 2.89Å; R350-A354 WeakPolarHBondContact O-CB 3.18Å; R350-A354 PolarHBondContact O-N 2.91Å |
| 351 | H | 82.3 | Confident | 68.9 | Low | 78 Ų | 78 | 115.3 Ų | 115.3 | 36% | 0.361 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -77.1 | -37.2 | 175.4 | 178.8 | 92.5 | 0 | 0 | 0 | 111.8 | S348 A349 A354 K355 | S348-H351 VanDerWaalsContact O-CB 3.3Å; S348-H351 WeakPolarHBondContact O-CB 3.32Å; S348-H351 PolarHBondContact O-N 3.03Å; A349-H351 PolarHBondContact O-N 3.46Å; H351-A354 PolarHBondContact O-N 2.86Å; H351-K355 PolarHBondContact CD2-NZ 2.88Å; H351-K355 VanDerWaalsContact CD2-NZ 3.31Å; H351-K355 WeakPolarHBondContact NE2-CE 3.49Å; H351-K355 PolarHBondContact NE2-NZ 2.83Å; H351-K355 PolarHBondContact O-N 3.37Å |
| 352 | E | 83.7 | Confident | 70.7 | Confident | 73 Ų | 73 | 117.7 Ų | 117.7 | 34% | 0.341 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -73.7 | -33.5 | 171.3 | -73.6 | -55.4 | 140.5 | 0 | 0 | 112.3 | A349 A354 K355 N356 | A349-E352 PolarHBondContact O-N 3.07Å; A349-E352 VanDerWaalsContact O-N 3.12Å; E352-A354 VanDerWaalsContact C-N 3.34Å; E352-K355 VanDerWaalsContact CD-CD 3.43Å; E352-K355 PolarHBondContact O-N 2.84Å; E352-K355 WeakPolarHBondContact OE1-CD 3.34Å; E352-K355 WeakPolarHBondContact OE1-CE 3.48Å; E352-K355 IonicContact OE1-NZ 3.97Å; E352-K355 PolarHBondContact OE1-NZ 3.13Å; E352-K355 WeakPolarHBondContact OE2-CD 3.42Å; E352-N356 VanDerWaalsContact O-CB 3.3Å; E352-N356 WeakPolarHBondContact O-CB 3.47Å; E352-N356 PolarHBondContact O-N 3.43Å; E352-N356 PolarHBondContact O-ND2 2.95Å |
| 353 | E | 86.3 | Confident | 72.3 | Confident | 120 Ų | 120 | 115.4 Ų | 115.4 | 56% | 0.561 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -57.9 | -46.2 | 166.1 | -73.4 | 177.1 | 164.2 | 0 | 0 | 111.1 | A349 N356 L357 | A349-E353 WeakPolarHBondContact O-CG 3.5Å; A349-E353 PolarHBondContact O-N 2.86Å; E353-N356 PolarHBondContact O-N 3.23Å; E353-L357 WeakPolarHBondContact O-CB 3.31Å; E353-L357 WeakPolarHBondContact O-CG 3.26Å; E353-L357 PolarHBondContact O-N 2.9Å |
| 354 | A | 88.4 | Confident | 73.5 | Confident | 53 Ų | 53 | 116.2 Ų | 116.2 | 44% | 0.438 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.7 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R350 H351 E352 N356 L357 L358 | R350-A354 WeakPolarHBondContact O-CB 3.18Å; R350-A354 PolarHBondContact O-N 2.91Å; H351-A354 PolarHBondContact O-N 2.86Å; E352-A354 VanDerWaalsContact C-N 3.34Å; A354-N356 VanDerWaalsContact C-N 3.33Å; A354-N356 PolarHBondContact O-N 2.85Å; A354-L357 PolarHBondContact O-N 3.03Å; A354-L358 WeakPolarHBondContact O-CB 3.28Å; A354-L358 PolarHBondContact O-N 3.49Å |
| 355 | K | 85.8 | Confident | 74.4 | Confident | 77 Ų | 77 | 112.2 Ų | 112.2 | 34% | 0.335 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.2 | -40.4 | 172.2 | -83.5 | 163.6 | 161.5 | 161.7 | 0 | 112.1 | H351 E352 L358 R359 | H351-K355 PolarHBondContact CD2-NZ 2.88Å; H351-K355 VanDerWaalsContact CD2-NZ 3.31Å; H351-K355 WeakPolarHBondContact NE2-CE 3.49Å; H351-K355 PolarHBondContact NE2-NZ 2.83Å; H351-K355 PolarHBondContact O-N 3.37Å; E352-K355 VanDerWaalsContact CD-CD 3.43Å; E352-K355 PolarHBondContact O-N 2.84Å; E352-K355 WeakPolarHBondContact OE1-CD 3.34Å; E352-K355 WeakPolarHBondContact OE1-CE 3.48Å; E352-K355 IonicContact OE1-NZ 3.97Å; E352-K355 PolarHBondContact OE1-NZ 3.13Å; E352-K355 WeakPolarHBondContact OE2-CD 3.42Å; K355-L358 PolarHBondContact O-N 3.21Å; K355-R359 WeakPolarHBondContact O-CB 3.23Å; K355-R359 WeakPolarHBondContact O-CG 3.46Å; K355-R359 PolarHBondContact O-N 3.08Å |
| 356 | N | 85.9 | Confident | 74.9 | Confident | 72 Ų | 72 | 115.7 Ų | 115.7 | 39% | 0.385 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -73 | -35.9 | 178.6 | -77.1 | -55.5 | 0 | 0 | 0 | 112.5 | E352 E353 A354 R359 R360 | E352-N356 VanDerWaalsContact O-CB 3.3Å; E352-N356 WeakPolarHBondContact O-CB 3.47Å; E352-N356 PolarHBondContact O-N 3.43Å; E352-N356 PolarHBondContact O-ND2 2.95Å; E353-N356 PolarHBondContact O-N 3.23Å; A354-N356 VanDerWaalsContact C-N 3.33Å; A354-N356 PolarHBondContact O-N 2.85Å; N356-R359 PolarHBondContact O-N 2.82Å; N356-R360 WeakPolarHBondContact O-CB 3.24Å; N356-R360 VanDerWaalsContact O-CG 3.31Å; N356-R360 WeakPolarHBondContact O-CG 3.23Å; N356-R360 PolarHBondContact O-N 3.43Å |
| 357 | L | 87.9 | Confident | 74.9 | Confident | 112 Ų | 112 | 114 Ų | 114 | 59% | 0.586 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.7 | -45.8 | 167.9 | -83.4 | 162 | 0 | 0 | 0 | 111.2 | E353 A354 R360 A361 | E353-L357 WeakPolarHBondContact O-CB 3.31Å; E353-L357 WeakPolarHBondContact O-CG 3.26Å; E353-L357 PolarHBondContact O-N 2.9Å; A354-L357 PolarHBondContact O-N 3.03Å; L357-R360 PolarHBondContact O-N 2.97Å; L357-A361 WeakPolarHBondContact O-CB 3.39Å; L357-A361 PolarHBondContact O-N 2.87Å |
| 358 | L | 85.1 | Confident | 74.6 | Confident | 103 Ų | 103 | 116.9 Ų | 116.9 | 54% | 0.539 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.1 | -35.2 | 178.5 | -160.4 | 72.3 | 0 | 0 | 0 | 112.2 | A354 K355 R362 | A354-L358 WeakPolarHBondContact O-CB 3.28Å; A354-L358 PolarHBondContact O-N 3.49Å; K355-L358 PolarHBondContact O-N 3.21Å; L358-R362 VanDerWaalsContact O-CB 3.31Å; L358-R362 WeakPolarHBondContact O-CB 3.43Å; L358-R362 WeakPolarHBondContact O-CG 3.22Å; L358-R362 PolarHBondContact O-N 2.81Å |
| 359 | R | 80.4 | Confident | 73.6 | Confident | 171 Ų | 171 | 118.6 Ų | 118.6 | 65% | 0.645 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.5 | -47.4 | 168.9 | -83.3 | 178.1 | 165.2 | 167.5 | -4.5 | 111.3 | K355 N356 A361 R362 M363 | K355-R359 WeakPolarHBondContact O-CB 3.23Å; K355-R359 WeakPolarHBondContact O-CG 3.46Å; K355-R359 PolarHBondContact O-N 3.08Å; N356-R359 PolarHBondContact O-N 2.82Å; R359-A361 PolarHBondContact O-N 2.86Å; R359-R362 PolarHBondContact O-N 3.07Å; R359-M363 WeakPolarHBondContact O-CB 3.33Å; R359-M363 WeakPolarHBondContact O-CG 3.48Å; R359-M363 PolarHBondContact O-N 3.34Å |
| 360 | R | 81.9 | Confident | 72.3 | Confident | 181 Ų | 181 | 123 Ų | 123 | 68% | 0.683 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -60.9 | -42.1 | 175.5 | -75.3 | 175.8 | -175.3 | 171 | 3.5 | 112.3 | N356 L357 M363 K364 | N356-R360 WeakPolarHBondContact O-CB 3.24Å; N356-R360 VanDerWaalsContact O-CG 3.31Å; N356-R360 WeakPolarHBondContact O-CG 3.23Å; N356-R360 PolarHBondContact O-N 3.43Å; L357-R360 PolarHBondContact O-N 2.97Å; R360-M363 WeakPolarHBondContact O-CB 3.49Å; R360-M363 PolarHBondContact O-N 2.72Å; R360-K364 PolarHBondContact O-N 3.48Å |
| 361 | A | 74.7 | Confident | 70.6 | Confident | 56 Ų | 56 | 125 Ų | 125 | 46% | 0.463 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.8 | -46.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L357 R359 M363 K364 A365 | L357-A361 WeakPolarHBondContact O-CB 3.39Å; L357-A361 PolarHBondContact O-N 2.87Å; R359-A361 PolarHBondContact O-N 2.86Å; A361-M363 VanDerWaalsContact C-N 3.31Å; A361-M363 PolarHBondContact O-N 2.98Å; A361-K364 PolarHBondContact O-N 2.85Å; A361-A365 WeakPolarHBondContact O-CB 3.34Å; A361-A365 PolarHBondContact O-N 3.4Å |
| 362 | R | 77.4 | Confident | 68.7 | Low | 175 Ų | 175 | 124.6 Ų | 124.6 | 66% | 0.66 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.8 | -30.9 | 174.6 | -76.2 | 179.3 | 169.8 | -168.8 | -3.3 | 113.2 | L358 R359 K366 | L358-R362 VanDerWaalsContact O-CB 3.31Å; L358-R362 WeakPolarHBondContact O-CB 3.43Å; L358-R362 WeakPolarHBondContact O-CG 3.22Å; L358-R362 PolarHBondContact O-N 2.81Å; R359-R362 PolarHBondContact O-N 3.07Å; R362-K366 VanDerWaalsContact O-CB 3.27Å; R362-K366 WeakPolarHBondContact O-CB 3.49Å; R362-K366 WeakPolarHBondContact O-CG 3.48Å; R362-K366 PolarHBondContact O-N 3.49Å |
| 363 | M | 70.1 | Confident | 66.6 | Low | 141 Ų | 141 | 125.1 Ų | 125.1 | 70% | 0.695 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.5 | -50.3 | 171 | -69 | -91.6 | -75.8 | 0 | 0 | 110.6 | R359 R360 A361 A365 K366 T367 | R359-M363 WeakPolarHBondContact O-CB 3.33Å; R359-M363 WeakPolarHBondContact O-CG 3.48Å; R359-M363 PolarHBondContact O-N 3.34Å; R360-M363 WeakPolarHBondContact O-CB 3.49Å; R360-M363 PolarHBondContact O-N 2.72Å; A361-M363 VanDerWaalsContact C-N 3.31Å; A361-M363 PolarHBondContact O-N 2.98Å; M363-A365 VanDerWaalsContact C-N 3.27Å; M363-A365 PolarHBondContact O-N 2.85Å; M363-K366 PolarHBondContact O-N 2.81Å; M363-K366 VanDerWaalsContact O-N 3.11Å; M363-T367 PolarHBondContact O-N 2.8Å; M363-T367 PolarHBondContact O-OG1 3.5Å |
| 364 | K | 68.8 | Low | 64.7 | Low | 176 Ų | 176 | 127.7 Ų | 127.7 | 77% | 0.765 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -64.2 | -26.2 | 176.6 | -73.8 | -163.7 | 172.7 | -164.8 | 0 | 114.2 | R360 A361 T367 | R360-K364 PolarHBondContact O-N 3.48Å; A361-K364 PolarHBondContact O-N 2.85Å; K364-T367 WeakPolarHBondContact CA-OG1 3.19Å; K364-T367 PolarHBondContact O-OG1 2.83Å |
| 365 | A | 59 | Low | 62.5 | Low | 82 Ų | 82 | 132.6 Ų | 132.6 | 68% | 0.678 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -85.6 | -21.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A361 M363 | A361-A365 WeakPolarHBondContact O-CB 3.34Å; A361-A365 PolarHBondContact O-N 3.4Å; M363-A365 VanDerWaalsContact C-N 3.27Å; M363-A365 PolarHBondContact O-N 2.85Å |
| 366 | K | 57.8 | Low | 60.4 | Low | 182 Ų | 182 | 135.1 Ų | 135.1 | 79% | 0.791 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -88.4 | -19.2 | 174.6 | -81.2 | -168.2 | 169.7 | -162.7 | 0 | 113.7 | R362 M363 Q368 | R362-K366 VanDerWaalsContact O-CB 3.27Å; R362-K366 WeakPolarHBondContact O-CB 3.49Å; R362-K366 WeakPolarHBondContact O-CG 3.48Å; R362-K366 PolarHBondContact O-N 3.49Å; M363-K366 PolarHBondContact O-N 2.81Å; M363-K366 VanDerWaalsContact O-N 3.11Å; K366-Q368 PolarHBondContact O-N 2.87Å |
| 367 | T | 46.6 | Very low | 58.7 | Low | 97 Ų | 97 | 137.5 Ų | 137.5 | 60% | 0.595 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -67 | 84 | 154.1 | 45 | 0 | 0 | 0 | 0 | 108.7 | M363 K364 P369 | M363-T367 PolarHBondContact O-N 2.8Å; M363-T367 PolarHBondContact O-OG1 3.5Å; K364-T367 WeakPolarHBondContact CA-OG1 3.19Å; K364-T367 PolarHBondContact O-OG1 2.83Å; T367-P369 WeakPolarHBondContact O-CD 3.27Å |
| 368 | Q | 43.6 | Very low | 56.7 | Low | 154 Ų | 154 | 136.9 Ų | 136.9 | 72% | 0.72 | 70% | 0.696 | S | S | * | * | | | trans | -43.1 | 120.3 | 156.4 | -82.4 | -97 | 12.6 | 0 | 0 | 107.4 | K366 L370 | K366-Q368 PolarHBondContact O-N 2.87Å; Q368-L370 PolarHBondContact O-N 3.41Å |
| 369 | P | 48.4 | Very low | 54.4 | Low | 112 Ų | 112 | 138 Ų | 138 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | | | trans | -63.4 | 112.9 | 166.5 | 27.3 | -30.7 | 0 | 0 | 0 | 105.8 | T367 R371 | T367-P369 WeakPolarHBondContact O-CD 3.27Å; P369-R371 PolarHBondContact O-N 3.05Å |
| 370 | L | 44.4 | Very low | 52.6 | Low | 168 Ų | 168 | 136.8 Ų | 136.8 | 88% | 0.88 | 71% | 0.712 | S | S | * | * | | | trans | -59.4 | 102.8 | 175.6 | -69.5 | 173.5 | 0 | 0 | 0 | 107 | Q368 A372 | Q368-L370 PolarHBondContact O-N 3.41Å; L370-A372 PolarHBondContact O-N 3.34Å |
| 371 | R | 44.4 | Very low | 50.6 | Low | 241 Ų | 241 | 132.1 Ų | 132.1 | 91% | 0.909 | 71% | 0.712 | S | S | * | * | | | trans | -50.7 | 129.5 | 168.9 | -95.5 | -172.5 | 165.1 | -166.2 | -3.9 | 106.6 | P369 S373 | P369-R371 PolarHBondContact O-N 3.05Å; R371-S373 PolarHBondContact O-N 3.06Å |
| 372 | A | 41.3 | Very low | 49 | Very low | 71 Ų | 71 | 138 Ų | 138 | 59% | 0.587 | 73% | 0.73 | S | S | * | * | | | trans | -58.5 | 101.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L370 H374 | L370-A372 PolarHBondContact O-N 3.34Å; A372-H374 PolarHBondContact O-CD2 3.34Å; A372-H374 PolarHBondContact O-N 3.06Å; A372-H374 PolarHBondContact O-NE2 2.72Å |
| 373 | S | 40.8 | Very low | 46.8 | Very low | 84 Ų | 84 | 133 Ų | 133 | 59% | 0.587 | 73% | 0.733 | S | S | * | * | | | trans | -69.1 | 108.7 | 156.6 | 51.4 | 0 | 0 | 0 | 0 | 105.8 | R371 D375 | R371-S373 PolarHBondContact O-N 3.06Å; S373-D375 PolarHBondContact O-N 3.48Å |
| 374 | H | 45.2 | Very low | 45.3 | Very low | 174 Ų | 174 | 132.8 Ų | 132.8 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -71.5 | 2.4 | -171.5 | -69.3 | -84.9 | 0 | 0 | 0 | 113.9 | A372 I376 | A372-H374 PolarHBondContact O-CD2 3.34Å; A372-H374 PolarHBondContact O-N 3.06Å; A372-H374 PolarHBondContact O-NE2 2.72Å; H374-I376 PolarHBondContact O-N 2.91Å; H374-I376 VanDerWaalsContact O-N 3.08Å |
| 375 | D | 42.7 | Very low | 43.9 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | | | trans | -80.8 | 47.3 | 174.8 | -59.2 | -48.3 | 0 | 0 | 0 | 113.9 | S373 | S373-D375 PolarHBondContact O-N 3.48Š|
| 376 | I | 41.5 | Very low | 42.9 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 67% | 0.667 | 75% | 0.753 | S | S | * | * | | | trans | -134.6 | 87.6 | 167 | -50.6 | -179.8 | 0 | 0 | 0 | 109.4 | H374 P378 | H374-I376 PolarHBondContact O-N 2.91Å; H374-I376 VanDerWaalsContact O-N 3.08Å; I376-P378 WeakPolarHBondContact O-CD 3.17Å |
| 377 | V | 50.1 | Low | 41.9 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 74% | 0.739 | 75% | 0.754 | S | S | * | * | | | trans | -74.2 | 118.8 | 159.5 | 176.3 | 0 | 0 | 0 | 0 | 107.7 | T379 | V377-T379 PolarHBondContact O-N 3.2Š|
| 378 | P | 46.1 | Very low | 41.3 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | | | trans | -73.3 | 108.1 | 163.4 | -0.3 | 18.4 | 0 | 0 | 0 | 106.6 | I376 I380 | I376-P378 WeakPolarHBondContact O-CD 3.17Å; P378-I380 VanDerWaalsContact C-N 3.34Å; P378-I380 PolarHBondContact O-N 3.17Å |
| 379 | T | 38 | Very low | 41 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | | | trans | -64.4 | 97 | 172.6 | -57 | 0 | 0 | 0 | 0 | 108.7 | V377 A381 | V377-T379 PolarHBondContact O-N 3.2Å; T379-A381 PolarHBondContact O-N 3.39Å |
| 380 | I | 41.7 | Very low | 40.3 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | | | trans | -72.6 | 81 | 175 | -51.2 | -179.8 | 0 | 0 | 0 | 107.7 | P378 Q382 | P378-I380 VanDerWaalsContact C-N 3.34Å; P378-I380 PolarHBondContact O-N 3.17Å; I380-Q382 PolarHBondContact O-N 2.98Å |
| 381 | A | 39.3 | Very low | 40.1 | Very low | 83 Ų | 83 | 138.4 Ų | 138.4 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | | | trans | -59.7 | 109.8 | 167 | 0 | 0 | 0 | 0 | 0 | 108 | T379 G383 | T379-A381 PolarHBondContact O-N 3.39Å; A381-G383 PolarHBondContact O-N 2.92Å |
| 382 | Q | 41 | Very low | 39.6 | Very low | 180 Ų | 180 | 131 Ų | 131 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | | | trans | -61.3 | 111.8 | 176.9 | -72.9 | -179.1 | -56.1 | 0 | 0 | 108.7 | I380 C384 | I380-Q382 PolarHBondContact O-N 2.98Å; Q382-C384 PolarHBondContact O-N 2.89Å |
| 383 | G | 32.8 | Very low | 39.6 | Very low | 70 Ų | 70 | 133.3 Ų | 133.3 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | trans | -72.8 | 97.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A381 R385 | A381-G383 PolarHBondContact O-N 2.92Å; G383-R385 PolarHBondContact O-N 2.82Å |
| 384 | C | 37.4 | Very low | 39.2 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 91% | 0.912 | 77% | 0.771 | S | S | * | * | | | trans | -58.4 | 106.7 | 165.9 | -65.5 | 0 | 0 | 0 | 0 | 109.7 | Q382 | Q382-C384 PolarHBondContact O-N 2.89Š|
| 385 | R | 40.7 | Very low | 38.6 | Very low | 219 Ų | 219 | 134 Ų | 134 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | | | trans | -83.2 | 132.4 | 177.9 | -84.7 | -174.9 | 166.1 | -128.5 | 0.1 | 111.6 | G383 | G383-R385 PolarHBondContact O-N 2.82Š|
| 386 | N | 37.8 | Very low | 38 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | trans | 62.9 | 120.7 | 154.2 | -58.3 | 2.3 | 0 | 0 | 0 | 118 | | |
| 387 | G | 35.9 | Very low | 37.6 | Very low | 80 Ų | 80 | 135.1 Ų | 135.1 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | trans | -179.6 | 54.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 388 | Q | 35.1 | Very low | 36.7 | Very low | 184 Ų | 184 | 135.1 Ų | 135.1 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | | | trans | 16.9 | 112.6 | 158.4 | -86.2 | -86.1 | -17 | 0 | 0 | 119.1 | | |
| 389 | R | 35.6 | Very low | 36 | Very low | 231 Ų | 231 | 135.4 Ų | 135.4 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | | | | 148.7 | 110.9 | 111.2 | -167.1 | 170.3 | -165 | 177 | 4.9 | 114.2 | | |
| 390 | S | 33.9 | Very low | 35.7 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | trans | -88.5 | -172.9 | 167.2 | -21 | 0 | 0 | 0 | 0 | 110.8 | | |
| 391 | P | 41.5 | Very low | 35.3 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | cis | -138.7 | -163.4 | -14.1 | 31.9 | -8.3 | 0 | 0 | 0 | 114 | | |
| 392 | A | 32.4 | Very low | 35.1 | Very low | 86 Ų | 86 | 140.2 Ų | 140.2 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | | | trans | 92.9 | 167.4 | 142.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 393 | P | 42.7 | Very low | 34.9 | Very low | 118 Ų | 118 | 137 Ų | 137 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | | | | -144.1 | -139.4 | -106.2 | 41.4 | -16.7 | 0 | 0 | 0 | 114.2 | | |
| 394 | E | 31.6 | Very low | 35.1 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 64% | 0.64 | 75% | 0.753 | S | S | * | * | | | trans | 84.1 | 124.5 | 173.7 | -60.6 | -136.5 | 92.6 | 0 | 0 | 115.5 | | |
| 395 | L | 32.7 | Very low | 35 | Very low | 136 Ų | 136 | 140 Ų | 140 | 71% | 0.712 | 74% | 0.741 | S | S | * | * | | | | 71.9 | 129.3 | 62 | -71.5 | 165.8 | 0 | 0 | 0 | 110.8 | | |
| 396 | R | 30.9 | Very low | 35.1 | Very low | 192 Ų | 192 | 138.9 Ų | 138.9 | 73% | 0.725 | 75% | 0.746 | S | S | * | * | | | cis | -150.2 | 174.1 | 33.5 | -83.8 | -156.8 | 170.6 | 81 | 13.4 | 115.8 | | |
| 397 | T | 32.4 | Very low | 34.9 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | | | trans | -9.5 | 153.9 | 145.2 | -0.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 398 | T | 30.6 | Very low | 34.8 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | | | cis | -150.8 | -168.5 | 21.2 | -23.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 399 | S | 32.4 | Very low | 34.9 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | | | cis | -160.5 | 142 | 2.9 | 16.4 | 0 | 0 | 0 | 0 | 107.2 | | |
| 400 | A | 31.6 | Very low | 35 | Very low | 93 Ų | 93 | 133 Ų | 133 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | | | | 80 | 85.1 | 61.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 401 | Y | 33.5 | Very low | 35.2 | Very low | 211 Ų | 211 | 134.9 Ų | 134.9 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | | | trans | -171.3 | 140.9 | 149.9 | -150.1 | -99.1 | 0 | 0 | 0 | 108.9 | | |
| 402 | R | 34.6 | Very low | 34.9 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 57% | 0.574 | 73% | 0.734 | S | S | * | * | | | cis | -161.2 | 165.4 | -23.8 | 173.5 | -179.1 | -89.9 | -97.7 | 8.1 | 107.3 | | |
| 403 | E | 35.8 | Very low | 35.2 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 52% | 0.523 | 74% | 0.737 | S | S | . | * | | | trans | -15.6 | 144.9 | 163.4 | -54.8 | 117 | -144.8 | 0 | 0 | 117 | L405 | E403-L405 HydrophobicContact CB-CD1 4.36Å; E403-L405 HydrophobicContact CG-CD1 4.34Å |
| 404 | N | 37.9 | Very low | 34.6 | Very low | 139 Ų | 139 | 136 Ų | 136 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | | | | -154.4 | 129.5 | 59.5 | -84 | -95.6 | 0 | 0 | 0 | 110.4 | | |
| 405 | L | 35.7 | Very low | 34.7 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | | | | 76.2 | 98.2 | 67.3 | -75.3 | 175.3 | 0 | 0 | 0 | 114.6 | E403 | E403-L405 HydrophobicContact CB-CD1 4.36Å; E403-L405 HydrophobicContact CG-CD1 4.34Å |
| 406 | Q | 43 | Very low | 35.4 | Very low | 197 Ų | 197 | 136 Ų | 136 | 92% | 0.921 | 74% | 0.744 | S | S | * | * | | | | -160 | 107.5 | 129.5 | -108.5 | 161.7 | 31 | 0 | 0 | 110.6 | | |
| 407 | N | 32.5 | Very low | 35.6 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 91% | 0.909 | 75% | 0.749 | S | S | * | * | | | trans | -110.5 | 141.8 | 170.1 | -81 | -21.8 | 0 | 0 | 0 | 109 | | |
| 408 | G | 35.3 | Very low | 35.6 | Very low | 73 Ų | 73 | 135.7 Ų | 135.7 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | | | trans | 165.2 | 105.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 409 | N | 35.5 | Very low | 35.8 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | | | cis | 75.6 | 146.2 | 48.3 | -163 | 24.6 | 0 | 0 | 0 | 112.8 | | |
| 410 | L | 38.6 | Very low | 36 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | | | trans | 73.8 | 127.1 | 177.6 | -47.4 | -180 | 0 | 0 | 0 | 113.2 | | |
| 411 | N | 37.1 | Very low | 36.3 | Very low | 146 Ų | 146 | 135.9 Ų | 135.9 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | | | cis | -150.1 | 167.3 | 13.3 | -74.2 | -60.3 | 0 | 0 | 0 | 113.4 | | |
| 412 | D | 36 | Very low | 36.5 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | | | trans | -69.3 | 163.9 | 154.9 | -157.7 | 8.5 | 0 | 0 | 0 | 110 | S414 | D412-S414 PolarHBondContact OD1-N 3.45Š|
| 413 | P | 37.8 | Very low | 36.7 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | | | | -145.4 | 153.1 | 85.3 | 37.8 | -20.7 | 0 | 0 | 0 | 116.6 | | |
| 414 | S | 31.7 | Very low | 36.8 | Very low | 94 Ų | 94 | 133.2 Ų | 133.2 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | | | trans | -70.5 | 171.6 | 173.5 | 58.1 | 0 | 0 | 0 | 0 | 116.1 | D412 | D412-S414 PolarHBondContact OD1-N 3.45Š|
| 415 | S | 33.9 | Very low | 37.1 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | | | trans | 81.9 | 117.1 | 153.5 | -156.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 416 | I | 45.7 | Very low | 37.1 | Very low | 164 Ų | 164 | 137 Ų | 137 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | | | | -158.2 | 155.5 | 90.3 | -155.4 | 163 | 0 | 0 | 0 | 111.6 | | |
| 417 | E | 35.6 | Very low | 37 | Very low | 179 Ų | 179 | 136.6 Ų | 136.6 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | | | trans | -92.1 | 170.6 | 172.8 | -73.1 | 174.9 | 76 | 0 | 0 | 112.7 | | |
| 418 | S | 33.5 | Very low | 37.3 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | | | trans | 102.3 | 146.2 | 153.3 | -156.6 | 0 | 0 | 0 | 0 | 120 | | |
| 419 | S | 33.5 | Very low | 37.3 | Very low | 91 Ų | 91 | 138.4 Ų | 138.4 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | | | trans | 82.6 | 91.3 | 162.4 | -147 | 0 | 0 | 0 | 0 | 120.8 | | |
| 420 | N | 37 | Very low | 37.7 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | | | trans | 60.6 | 96.9 | 131.7 | -56.4 | -33.5 | 0 | 0 | 0 | 120.3 | | |
| 421 | G | 37.5 | Very low | 37.6 | Very low | 75 Ų | 75 | 138.4 Ų | 138.4 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | trans | -112.6 | -162.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 422 | Q | 38.8 | Very low | 38 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 61% | 0.612 | 76% | 0.763 | S | S | * | * | | | trans | -160.9 | 150.9 | 166.8 | -110.1 | 172 | -6.2 | 0 | 0 | 111.4 | | |
| 423 | W | 37.4 | Very low | 39 | Very low | 218 Ų | 218 | 138.4 Ų | 138.4 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | | | trans | -120.5 | 140.1 | -161 | -62.8 | 79.8 | 0 | 0 | 0 | 116.7 | V832 | W423-V832 WeakPolarHBondContact O-CG1 3.02Š|
| 424 | P | 39.8 | Very low | 39.5 | Very low | 69 Ų | 69 | 142.5 Ų | 142.5 | 45% | 0.448 | 76% | 0.761 | S | S | . | * | | | trans | -85.9 | 141.4 | 140.6 | 37.5 | -30.7 | 0 | 0 | 0 | 109.1 | T831 | P424-T831 VanDerWaalsContact CD-O 3.27Å; P424-T831 WeakPolarHBondContact CD-O 3.3Å; P424-T831 WeakPolarHBondContact CG-O 3.22Å |
| 425 | K | 43.7 | Very low | 40.4 | Very low | 195 Ų | 195 | 147 Ų | 147 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | | | cis | 58.8 | 120.7 | 24.9 | -71.1 | -176.3 | 177.6 | 178.1 | 0 | 113.8 | | |
| 426 | Q | 36.1 | Very low | 42.1 | Very low | 152 Ų | 152 | 150 Ų | 150 | 71% | 0.71 | 77% | 0.771 | S | S | * | * | | | cis | -152.4 | 103.3 | 25.3 | -179.6 | 176.5 | -4.6 | 0 | 0 | 112.7 | | |
| 427 | E | 39.7 | Very low | 43.1 | Very low | 189 Ų | 189 | 147.9 Ų | 147.9 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | | | trans | -68.9 | 138.9 | 154.1 | -67.7 | -173.9 | 135.2 | 0 | 0 | 108.8 | P429 | E427-P429 VanDerWaalsContact O-CD 3.25Å; E427-P429 WeakPolarHBondContact O-CD 3.5Å |
| 428 | M | 39.7 | Very low | 45.1 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 83% | 0.833 | 75% | 0.746 | S | S | * | * | | | trans | -81.2 | 110.9 | 176.9 | -75.5 | 163.8 | 54.1 | 0 | 0 | 109.7 | L430 | M428-L430 PolarHBondContact O-N 3.07Š|
| 429 | P | 34.2 | Very low | 47.3 | Very low | 112 Ų | 112 | 142 Ų | 142 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | | | trans | -68.3 | 134.6 | 175.6 | 29.7 | -33.9 | 0 | 0 | 0 | 109.4 | E427 S431 | E427-P429 VanDerWaalsContact O-CD 3.25Å; E427-P429 WeakPolarHBondContact O-CD 3.5Å; P429-S431 PolarHBondContact O-N 2.99Å |
| 430 | L | 43.5 | Very low | 49.6 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 90% | 0.901 | 73% | 0.725 | S | S | * | * | | | trans | -49 | 124.5 | 171.7 | -70.7 | 167.2 | 0 | 0 | 0 | 109.4 | M428 H432 | M428-L430 PolarHBondContact O-N 3.07Å; L430-H432 PolarHBondContact O-N 3.19Å |
| 431 | S | 37.8 | Very low | 51.9 | Low | 108 Ų | 108 | 139.9 Ų | 139.9 | 76% | 0.755 | 71% | 0.714 | S | S | * | * | | | trans | -59.4 | 112.2 | -176.8 | 40.2 | 0 | 0 | 0 | 0 | 109.8 | P429 V433 | P429-S431 PolarHBondContact O-N 2.99Å; S431-V433 PolarHBondContact O-N 3.45Å |
| 432 | H | 44.6 | Very low | 54.3 | Low | 169 Ų | 169 | 139.5 Ų | 139.5 | 78% | 0.782 | 69% | 0.692 | S | S | * | * | | | trans | -59.8 | 101.9 | 173.9 | -175.1 | 126.3 | 0 | 0 | 0 | 107.5 | L430 R434 | L430-H432 PolarHBondContact O-N 3.19Å; H432-R434 PolarHBondContact O-N 3.06Å |
| 433 | V | 57.1 | Low | 56.7 | Low | 108 Ų | 108 | 135.1 Ų | 135.1 | 66% | 0.655 | 68% | 0.678 | S | S | * | * | | | trans | -60.4 | 100.7 | 177.7 | 177.6 | 0 | 0 | 0 | 0 | 107.6 | S431 | S431-V433 PolarHBondContact O-N 3.45Š|
| 434 | R | 49.3 | Very low | 59.2 | Low | 207 Ų | 207 | 130.6 Ų | 130.6 | 78% | 0.781 | 67% | 0.667 | S | S | * | * | | | trans | -70 | 128.9 | 160.6 | -76.3 | -169.1 | 148.2 | 141.4 | -1.5 | 106.3 | H432 E436 | H432-R434 PolarHBondContact O-N 3.06Å; R434-E436 PolarHBondContact O-N 2.83Å |
| 435 | F | 51 | Low | 61.5 | Low | 188 Ų | 188 | 131.1 Ų | 131.1 | 83% | 0.825 | 66% | 0.662 | S | S | * | * | | | trans | -69.1 | 86.5 | 160.3 | -57.9 | -88.6 | 0 | 0 | 0 | 105.9 | | |
| 436 | E | 69.5 | Low | 63.6 | Low | 173 Ų | 173 | 127.3 Ų | 127.3 | 81% | 0.808 | 64% | 0.642 | S | S | * | * | | | trans | -64 | 134.5 | 160.8 | -65.7 | -175.8 | 144 | 0 | 0 | 106.8 | R434 E438 | R434-E436 PolarHBondContact O-N 2.83Å; E436-E438 PolarHBondContact O-N 3.07Å |
| 437 | D | 66.4 | Low | 66.2 | Low | 119 Ų | 119 | 126.1 Ų | 126.1 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | | | trans | -61.6 | 108.2 | -177.7 | -79.2 | -60 | 0 | 0 | 0 | 109.4 | S439 L1029 | D437-S439 PolarHBondContact O-N 3.08Å; D437-L1029 WeakPolarHBondContact OD1-CD1 3.44Å; D437-L1029 WeakPolarHBondContact OD1-CG 3.25Å |
| 438 | E | 77.4 | Confident | 68.7 | Low | 112 Ų | 112 | 122 Ų | 122 | 52% | 0.523 | 62% | 0.616 | S | S | . | * | | | trans | -52.9 | 113.5 | 173.6 | -173 | 179.7 | 169.3 | 0 | 0 | 108 | E436 E442 A443 R446 | E436-E438 PolarHBondContact O-N 3.07Å; E438-E442 HydrophobicContact CG-CB 3.95Å; E438-E442 HydrophobicContact CG-CG 3.59Å; E438-A443 HydrophobicContact CG-CB 4.24Å; E438-A443 WeakPolarHBondContact OE1-CA 3.33Å; E438-R446 WeakPolarHBondContact OE1-CG 3.39Å |
| 439 | S | 80.2 | Confident | 71.2 | Confident | 67 Ų | 67 | 114.9 Ų | 114.9 | 47% | 0.469 | 58% | 0.581 | S | S | . | * | | | trans | -58.3 | 147 | -173.8 | 76.9 | 0 | 0 | 0 | 0 | 110.2 | D437 H441 E442 A443 | D437-S439 PolarHBondContact O-N 3.08Å; S439-H441 PolarHBondContact O-N 2.73Å; S439-H441 VanDerWaalsContact O-N 3.07Å; S439-E442 WeakPolarHBondContact O-CA 3.26Å; S439-E442 WeakPolarHBondContact O-CB 3.36Å; S439-E442 PolarHBondContact O-N 3.27Å; S439-E442 PolarHBondContact OG-N 3.15Å; S439-A443 PolarHBondContact O-N 2.91Å |
| 440 | A | 81.9 | Confident | 73.9 | Confident | 71 Ų | 71 | 115.5 Ų | 115.5 | 59% | 0.587 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -53 | -37.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A443 E444 | A440-A443 PolarHBondContact O-N 3.03Å; A440-E444 VanDerWaalsContact O-CB 3.28Å; A440-E444 WeakPolarHBondContact O-CB 3.38Å; A440-E444 VanDerWaalsContact O-CG 3.23Å; A440-E444 WeakPolarHBondContact O-CG 3.38Å; A440-E444 PolarHBondContact O-N 3.37Å |
| 441 | H | 85.3 | Confident | 76.1 | Confident | 134 Ų | 134 | 110.3 Ų | 110.3 | 62% | 0.62 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.7 | -44.9 | 173.5 | -179.7 | -82 | 0 | 0 | 0 | 113.5 | S439 E444 F445 | S439-H441 PolarHBondContact O-N 2.73Å; S439-H441 VanDerWaalsContact O-N 3.07Å; H441-E444 PolarHBondContact O-N 3.2Å; H441-F445 WeakPolarHBondContact O-CB 3.46Å; H441-F445 PolarHBondContact O-N 3.36Å |
| 442 | E | 87.8 | Confident | 78.5 | Confident | 67 Ų | 67 | 109.6 Ų | 109.6 | 31% | 0.313 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 175.1 | 176.5 | 68.8 | -164.9 | 0 | 0 | 110.2 | E438 S439 E444 F445 R446 | E438-E442 HydrophobicContact CG-CB 3.95Å; E438-E442 HydrophobicContact CG-CG 3.59Å; S439-E442 WeakPolarHBondContact O-CA 3.26Å; S439-E442 WeakPolarHBondContact O-CB 3.36Å; S439-E442 PolarHBondContact O-N 3.27Å; S439-E442 PolarHBondContact OG-N 3.15Å; E442-E444 VanDerWaalsContact C-N 3.33Å; E442-E444 PolarHBondContact O-N 2.82Å; E442-F445 WeakPolarHBondContact O-CB 3.4Å; E442-F445 PolarHBondContact O-N 3.3Å; E442-F445 VanDerWaalsContact O-N 3.13Å; E442-R446 WeakPolarHBondContact O-CB 3.34Å; E442-R446 WeakPolarHBondContact O-CG 3.39Å; E442-R446 PolarHBondContact O-N 3.46Å; E442-R446 IonicContact OE1-CZ 2.67Å; E442-R446 IonicContact OE1-NE 3.27Å; E442-R446 PolarHBondContact OE1-NE 3.39Å; E442-R446 IonicContact OE1-NH2 2.96Å; E442-R446 PolarHBondContact OE1-NH2 2.79Å |
| 443 | A | 87.7 | Confident | 80.4 | Confident | 38 Ų | 38 | 105.3 Ų | 105.3 | 31% | 0.314 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | E438 S439 A440 Y447 | E438-A443 HydrophobicContact CG-CB 4.24Å; E438-A443 WeakPolarHBondContact OE1-CA 3.33Å; S439-A443 PolarHBondContact O-N 2.91Å; A440-A443 PolarHBondContact O-N 3.03Å; A443-Y447 WeakPolarHBondContact O-CB 3.44Å; A443-Y447 PolarHBondContact O-N 3.28Å |
| 444 | E | 90.1 | Very high | 81.7 | Confident | 124 Ų | 124 | 106.8 Ų | 106.8 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.9 | -44.4 | 171 | -78.5 | 171.1 | -158.3 | 0 | 0 | 111.5 | A440 H441 E442 R446 Y447 L448 | A440-E444 VanDerWaalsContact O-CB 3.28Å; A440-E444 WeakPolarHBondContact O-CB 3.38Å; A440-E444 VanDerWaalsContact O-CG 3.23Å; A440-E444 WeakPolarHBondContact O-CG 3.38Å; A440-E444 PolarHBondContact O-N 3.37Å; H441-E444 PolarHBondContact O-N 3.2Å; E442-E444 VanDerWaalsContact C-N 3.33Å; E442-E444 PolarHBondContact O-N 2.82Å; E444-R446 PolarHBondContact O-N 2.82Å; E444-Y447 CarbonylContact O-C 3.48Å; E444-Y447 WeakPolarHBondContact O-CA 3.43Å; E444-Y447 WeakPolarHBondContact O-CB 3.47Å; E444-Y447 PolarHBondContact O-N 2.85Å; E444-L448 WeakPolarHBondContact O-CG 3.49Å; E444-L448 PolarHBondContact O-N 3.38Å |
| 445 | F | 88 | Confident | 83.3 | Confident | 79 Ų | 79 | 102.3 Ų | 102.3 | 35% | 0.346 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.4 | -48.2 | 176.5 | -163.2 | -72.7 | 0 | 0 | 0 | 111.2 | H441 E442 Y447 L448 D449 Q1202 | H441-F445 WeakPolarHBondContact O-CB 3.46Å; H441-F445 PolarHBondContact O-N 3.36Å; E442-F445 WeakPolarHBondContact O-CB 3.4Å; E442-F445 PolarHBondContact O-N 3.3Å; E442-F445 VanDerWaalsContact O-N 3.13Å; F445-Y447 PolarHBondContact O-N 2.82Å; F445-L448 PolarHBondContact O-N 3.34Å; F445-L448 VanDerWaalsContact O-N 3.08Å; F445-D449 PolarHBondContact O-N 3.46Å; F445-Q1202 WeakPolarHBondContact CD1-O 3.3Å; F445-Q1202 WeakPolarHBondContact CE1-O 3.26Å; F445-Q1202 WeakPolarHBondContact CE1-OXT 3.24Å; F445-Q1202 WeakPolarHBondContact CZ-OXT 3.32Å |
| 446 | R | 88.8 | Confident | 84.7 | Confident | 116 Ų | 116 | 98.6 Ų | 98.6 | 44% | 0.438 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.6 | -31.7 | 172.4 | -65.8 | -67.8 | -175 | 149.7 | 8.9 | 112.7 | E438 E442 E444 R450 | E438-R446 WeakPolarHBondContact OE1-CG 3.39Å; E442-R446 WeakPolarHBondContact O-CB 3.34Å; E442-R446 WeakPolarHBondContact O-CG 3.39Å; E442-R446 PolarHBondContact O-N 3.46Å; E442-R446 IonicContact OE1-CZ 2.67Å; E442-R446 IonicContact OE1-NE 3.27Å; E442-R446 PolarHBondContact OE1-NE 3.39Å; E442-R446 IonicContact OE1-NH2 2.96Å; E442-R446 PolarHBondContact OE1-NH2 2.79Å; E444-R446 PolarHBondContact O-N 2.82Å; R446-R450 WeakPolarHBondContact O-CB 3.4Å; R446-R450 VanDerWaalsContact O-CG 3.25Å; R446-R450 WeakPolarHBondContact O-CG 3.19Å; R446-R450 PolarHBondContact O-N 3.49Å; R446-R450 PolarHBondContact O-NE 2.83Å; R446-R450 VanDerWaalsContact O-NE 3.15Å; R446-R450 PolarHBondContact O-NH2 2.85Å |
| 447 | Y | 90.3 | Very high | 85.2 | Confident | 126 Ų | 126 | 96.4 Ų | 96.4 | 49% | 0.494 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -73.4 | -42.9 | 174.6 | 174.7 | -87.7 | 0 | 0 | 0 | 112 | A443 E444 F445 R450 L451 | A443-Y447 WeakPolarHBondContact O-CB 3.44Å; A443-Y447 PolarHBondContact O-N 3.28Å; E444-Y447 CarbonylContact O-C 3.48Å; E444-Y447 WeakPolarHBondContact O-CA 3.43Å; E444-Y447 WeakPolarHBondContact O-CB 3.47Å; E444-Y447 PolarHBondContact O-N 2.85Å; F445-Y447 PolarHBondContact O-N 2.82Å; Y447-R450 PolarHBondContact O-N 2.75Å; Y447-L451 PolarHBondContact O-N 2.84Å |
| 448 | L | 93 | Very high | 85.7 | Confident | 103 Ų | 103 | 95.2 Ų | 95.2 | 54% | 0.539 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 177.4 | -69.1 | 173.1 | 0 | 0 | 0 | 111.8 | E444 F445 L451 Q452 | E444-L448 WeakPolarHBondContact O-CG 3.49Å; E444-L448 PolarHBondContact O-N 3.38Å; F445-L448 PolarHBondContact O-N 3.34Å; F445-L448 VanDerWaalsContact O-N 3.08Å; L448-L451 CarbonylContact O-C 3.58Å; L448-L451 WeakPolarHBondContact O-CA 3.38Å; L448-L451 WeakPolarHBondContact O-CB 3.48Å; L448-L451 PolarHBondContact O-N 2.83Å; L448-Q452 PolarHBondContact O-N 2.69Å |
| 449 | D | 90.6 | Very high | 85.5 | Confident | 20 Ų | 20 | 95 Ų | 95 | 11% | 0.107 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -62.9 | -45 | 172.9 | 175.1 | 51.2 | 0 | 0 | 0 | 111.7 | F445 L451 Q452 Q453 R456 Q1202 | F445-D449 PolarHBondContact O-N 3.46Å; D449-L451 PolarHBondContact O-N 2.89Å; D449-L451 VanDerWaalsContact O-N 3.08Å; D449-Q452 CarbonylContact O-C 3.59Å; D449-Q452 PolarHBondContact O-N 3.21Å; D449-Q453 WeakPolarHBondContact O-CB 3.25Å; D449-Q453 WeakPolarHBondContact O-CG 3.35Å; D449-Q453 PolarHBondContact O-N 2.75Å; D449-Q453 WeakPolarHBondContact OD1-CG 3.47Å; D449-Q453 PolarHBondContact OD1-NE2 2.99Å; D449-Q453 PolarHBondContact OD2-NE2 2.9Å; D449-R456 IonicContact OD1-NH2 3.36Å; D449-R456 PolarHBondContact OD1-NH2 3.37Å; D449-Q1202 PolarHBondContact OD1-NE2 3.21Å; D449-Q1202 PolarHBondContact OD1-OE1 3.47Å |
| 450 | R | 92.2 | Very high | 85 | Confident | 124 Ų | 124 | 94.5 Ų | 94.5 | 47% | 0.468 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62 | -17.2 | 172.9 | -72.7 | -177.9 | -57.8 | -109.1 | -2 | 114 | R446 Y447 R454 | R446-R450 WeakPolarHBondContact O-CB 3.4Å; R446-R450 VanDerWaalsContact O-CG 3.25Å; R446-R450 WeakPolarHBondContact O-CG 3.19Å; R446-R450 PolarHBondContact O-N 3.49Å; R446-R450 PolarHBondContact O-NE 2.83Å; R446-R450 VanDerWaalsContact O-NE 3.15Å; R446-R450 PolarHBondContact O-NH2 2.85Å; Y447-R450 PolarHBondContact O-N 2.75Å; R450-R454 PolarHBondContact O-NE 2.95Å |
| 451 | L | 88.8 | Confident | 84.5 | Confident | 63 Ų | 63 | 95.8 Ų | 95.8 | 33% | 0.33 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -85.3 | -45.4 | 170.9 | -171.4 | 62.8 | 0 | 0 | 0 | 110.6 | Y447 L448 D449 R454 Q455 | Y447-L451 PolarHBondContact O-N 2.84Å; L448-L451 CarbonylContact O-C 3.58Å; L448-L451 WeakPolarHBondContact O-CA 3.38Å; L448-L451 WeakPolarHBondContact O-CB 3.48Å; L448-L451 PolarHBondContact O-N 2.83Å; D449-L451 PolarHBondContact O-N 2.89Å; D449-L451 VanDerWaalsContact O-N 3.08Å; L451-R454 PolarHBondContact O-N 2.9Å; L451-Q455 WeakPolarHBondContact O-CG 3.43Å; L451-Q455 PolarHBondContact O-N 3.12Å |
| 452 | Q | 88.7 | Confident | 83.6 | Confident | 93 Ų | 93 | 93.2 Ų | 93.2 | 44% | 0.435 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.1 | -37.6 | 177.1 | -159.8 | -171.2 | 38.9 | 0 | 0 | 112.3 | L448 D449 Q455 R456 | L448-Q452 PolarHBondContact O-N 2.69Å; D449-Q452 CarbonylContact O-C 3.59Å; D449-Q452 PolarHBondContact O-N 3.21Å; Q452-Q455 PolarHBondContact O-N 2.9Å; Q452-R456 WeakPolarHBondContact O-CB 3.25Å; Q452-R456 WeakPolarHBondContact O-CG 3.49Å; Q452-R456 PolarHBondContact O-N 3.07Å; Q452-R456 VanDerWaalsContact OE1-CZ 3.23Å |
| 453 | Q | 84.7 | Confident | 82.5 | Confident | 80 Ų | 80 | 95 Ų | 95 | 37% | 0.374 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 171.9 | -72.7 | -175.9 | 6.2 | 0 | 0 | 111.8 | D449 R456 Q457 | D449-Q453 WeakPolarHBondContact O-CB 3.25Å; D449-Q453 WeakPolarHBondContact O-CG 3.35Å; D449-Q453 PolarHBondContact O-N 2.75Å; D449-Q453 WeakPolarHBondContact OD1-CG 3.47Å; D449-Q453 PolarHBondContact OD1-NE2 2.99Å; D449-Q453 PolarHBondContact OD2-NE2 2.9Å; Q453-R456 PolarHBondContact O-N 3.02Å; Q453-Q457 WeakPolarHBondContact O-CB 3.44Å; Q453-Q457 WeakPolarHBondContact O-CG 3.46Å; Q453-Q457 PolarHBondContact O-N 3.18Å |
| 454 | R | 84.4 | Confident | 81 | Confident | 139 Ų | 139 | 100.3 Ų | 100.3 | 53% | 0.525 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.3 | -37.3 | 174.5 | -80.9 | -174.7 | -72.6 | 177.5 | 0 | 112.3 | R450 L451 Q457 V458 | R450-R454 PolarHBondContact O-NE 2.95Å; L451-R454 PolarHBondContact O-N 2.9Å; R454-Q457 PolarHBondContact O-N 3.14Å; R454-V458 WeakPolarHBondContact O-CG2 3.31Å; R454-V458 PolarHBondContact O-N 2.79Å |
| 455 | Q | 81.7 | Confident | 79.3 | Confident | 113 Ų | 113 | 97.9 Ų | 97.9 | 53% | 0.528 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 170.7 | -72.3 | 176.5 | -10.2 | 0 | 0 | 111.6 | L451 Q452 Q457 V458 L459 | L451-Q455 WeakPolarHBondContact O-CG 3.43Å; L451-Q455 PolarHBondContact O-N 3.12Å; Q452-Q455 PolarHBondContact O-N 2.9Å; Q455-Q457 PolarHBondContact O-N 3.35Å; Q455-V458 PolarHBondContact O-N 3.25Å; Q455-L459 WeakPolarHBondContact O-CB 3.25Å; Q455-L459 VanDerWaalsContact O-CG 3.31Å; Q455-L459 WeakPolarHBondContact O-CG 3.39Å; Q455-L459 PolarHBondContact O-N 3.17Å |
| 456 | R | 81.8 | Confident | 77.6 | Confident | 109 Ų | 109 | 98.8 Ų | 98.8 | 41% | 0.411 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 173.4 | -80 | -173 | -77.9 | -112.3 | -3.8 | 112.3 | D449 Q452 Q453 S460 | D449-R456 IonicContact OD1-NH2 3.36Å; D449-R456 PolarHBondContact OD1-NH2 3.37Å; Q452-R456 WeakPolarHBondContact O-CB 3.25Å; Q452-R456 WeakPolarHBondContact O-CG 3.49Å; Q452-R456 PolarHBondContact O-N 3.07Å; Q452-R456 VanDerWaalsContact OE1-CZ 3.23Å; Q453-R456 PolarHBondContact O-N 3.02Å; R456-S460 VanDerWaalsContact O-CB 3.31Å; R456-S460 WeakPolarHBondContact O-CB 3.39Å; R456-S460 PolarHBondContact O-N 2.92Å; R456-S460 PolarHBondContact O-OG 3.4Å |
| 457 | Q | 79.1 | Confident | 75.6 | Confident | 127 Ų | 127 | 99.5 Ų | 99.5 | 59% | 0.593 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.6 | -50.7 | 174.1 | -80.3 | -178.4 | -25.7 | 0 | 0 | 111.5 | Q453 R454 Q455 L459 S460 T461 | Q453-Q457 WeakPolarHBondContact O-CB 3.44Å; Q453-Q457 WeakPolarHBondContact O-CG 3.46Å; Q453-Q457 PolarHBondContact O-N 3.18Å; R454-Q457 PolarHBondContact O-N 3.14Å; Q455-Q457 PolarHBondContact O-N 3.35Å; Q457-L459 VanDerWaalsContact C-N 3.33Å; Q457-L459 PolarHBondContact O-N 3.16Å; Q457-S460 WeakPolarHBondContact CA-OG 3.31Å; Q457-S460 PolarHBondContact O-N 2.91Å; Q457-S460 VanDerWaalsContact O-N 3.12Å; Q457-S460 PolarHBondContact O-OG 3.08Å; Q457-T461 PolarHBondContact O-N 2.86Å; Q457-T461 PolarHBondContact O-OG1 2.76Å; Q457-T461 VanDerWaalsContact O-OG1 3.08Å |
| 458 | V | 77.8 | Confident | 73.2 | Confident | 94 Ų | 94 | 101.4 Ų | 101.4 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -56.6 | -45.9 | 176.1 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | R454 Q455 T461 V462 | R454-V458 WeakPolarHBondContact O-CG2 3.31Å; R454-V458 PolarHBondContact O-N 2.79Å; Q455-V458 PolarHBondContact O-N 3.25Å; V458-T461 PolarHBondContact O-N 3.12Å; V458-V462 WeakPolarHBondContact O-CB 3.4Å; V458-V462 VanDerWaalsContact O-CG2 3.3Å; V458-V462 WeakPolarHBondContact O-CG2 3.17Å; V458-V462 PolarHBondContact O-N 3.01Å |
| 459 | L | 73.4 | Confident | 70.6 | Confident | 107 Ų | 107 | 99.6 Ų | 99.6 | 56% | 0.56 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.5 | -42.5 | 175.9 | -71.2 | 171.9 | 0 | 0 | 0 | 111.8 | Q455 Q457 T461 V462 L463 | Q455-L459 WeakPolarHBondContact O-CB 3.25Å; Q455-L459 VanDerWaalsContact O-CG 3.31Å; Q455-L459 WeakPolarHBondContact O-CG 3.39Å; Q455-L459 PolarHBondContact O-N 3.17Å; Q457-L459 VanDerWaalsContact C-N 3.33Å; Q457-L459 PolarHBondContact O-N 3.16Å; L459-T461 PolarHBondContact O-N 2.93Å; L459-V462 PolarHBondContact O-N 3.2Å; L459-L463 WeakPolarHBondContact O-CB 3.45Å; L459-L463 VanDerWaalsContact O-CG 3.25Å; L459-L463 WeakPolarHBondContact O-CG 2.97Å; L459-L463 PolarHBondContact O-N 3.12Å |
| 460 | S | 69.2 | Low | 68.2 | Low | 58 Ų | 58 | 104.3 Ų | 104.3 | 41% | 0.406 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.6 | -37.5 | 177 | 72.1 | 0 | 0 | 0 | 0 | 112.7 | R456 Q457 H464 | R456-S460 VanDerWaalsContact O-CB 3.31Å; R456-S460 WeakPolarHBondContact O-CB 3.39Å; R456-S460 PolarHBondContact O-N 2.92Å; R456-S460 PolarHBondContact O-OG 3.4Å; Q457-S460 WeakPolarHBondContact CA-OG 3.31Å; Q457-S460 PolarHBondContact O-N 2.91Å; Q457-S460 VanDerWaalsContact O-N 3.12Å; Q457-S460 PolarHBondContact O-OG 3.08Å; S460-H464 WeakPolarHBondContact O-CB 3.5Å; S460-H464 PolarHBondContact O-N 3.03Å |
| 461 | T | 71 | Confident | 65.6 | Low | 97 Ų | 97 | 106.9 Ų | 106.9 | 60% | 0.595 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.4 | -37.6 | 174.6 | -55.6 | 0 | 0 | 0 | 0 | 111.8 | Q457 V458 L459 A465 | Q457-T461 PolarHBondContact O-N 2.86Å; Q457-T461 PolarHBondContact O-OG1 2.76Å; Q457-T461 VanDerWaalsContact O-OG1 3.08Å; V458-T461 PolarHBondContact O-N 3.12Å; L459-T461 PolarHBondContact O-N 2.93Å; T461-A465 WeakPolarHBondContact O-CB 3.49Å; T461-A465 PolarHBondContact O-N 2.9Å; T461-A465 VanDerWaalsContact O-N 3.16Å |
| 462 | V | 67.7 | Low | 63.5 | Low | 81 Ų | 81 | 114.8 Ų | 114.8 | 49% | 0.491 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.1 | -42.1 | 174.5 | 169.1 | 0 | 0 | 0 | 0 | 111 | V458 L459 A465 V466 | V458-V462 WeakPolarHBondContact O-CB 3.4Å; V458-V462 VanDerWaalsContact O-CG2 3.3Å; V458-V462 WeakPolarHBondContact O-CG2 3.17Å; V458-V462 PolarHBondContact O-N 3.01Å; L459-V462 PolarHBondContact O-N 3.2Å; V462-A465 CarbonylContact O-C 3.58Å; V462-A465 PolarHBondContact O-N 3.11Å; V462-V466 WeakPolarHBondContact O-CG2 3.46Å; V462-V466 PolarHBondContact O-N 2.98Å |
| 463 | L | 63 | Low | 61.6 | Low | 103 Ų | 103 | 115.7 Ų | 115.7 | 54% | 0.539 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.9 | -46.1 | 177.2 | -70.5 | 167.1 | 0 | 0 | 0 | 111.6 | L459 A465 V466 D467 | L459-L463 WeakPolarHBondContact O-CB 3.45Å; L459-L463 VanDerWaalsContact O-CG 3.25Å; L459-L463 WeakPolarHBondContact O-CG 2.97Å; L459-L463 PolarHBondContact O-N 3.12Å; L463-A465 PolarHBondContact O-N 3.24Å; L463-A465 VanDerWaalsContact O-N 3.11Å; L463-V466 PolarHBondContact O-N 3.42Å; L463-D467 PolarHBondContact O-N 2.68Å |
| 464 | H | 57.7 | Low | 59.9 | Low | 151 Ų | 151 | 121.3 Ų | 121.3 | 70% | 0.699 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -59.5 | -22.6 | 172.2 | -106.8 | -72.8 | 0 | 0 | 0 | 114.1 | S460 | S460-H464 WeakPolarHBondContact O-CB 3.5Å; S460-H464 PolarHBondContact O-N 3.03Å |
| 465 | A | 53.4 | Low | 58.6 | Low | 73 Ų | 73 | 120.4 Ų | 120.4 | 60% | 0.603 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -90.9 | -12.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | T461 V462 L463 | T461-A465 WeakPolarHBondContact O-CB 3.49Å; T461-A465 PolarHBondContact O-N 2.9Å; T461-A465 VanDerWaalsContact O-N 3.16Å; V462-A465 CarbonylContact O-C 3.58Å; V462-A465 PolarHBondContact O-N 3.11Å; L463-A465 PolarHBondContact O-N 3.24Å; L463-A465 VanDerWaalsContact O-N 3.11Å |
| 466 | V | 52.8 | Low | 57 | Low | 97 Ų | 97 | 119.6 Ų | 119.6 | 59% | 0.588 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -88.6 | -35.1 | 173.2 | 165.2 | 0 | 0 | 0 | 0 | 110.9 | V462 L463 Q468 | V462-V466 WeakPolarHBondContact O-CG2 3.46Å; V462-V466 PolarHBondContact O-N 2.98Å; L463-V466 PolarHBondContact O-N 3.42Å; V466-Q468 PolarHBondContact O-N 3.35Å; V466-Q468 VanDerWaalsContact O-N 3.12Å |
| 467 | D | 45.8 | Very low | 55.8 | Low | 131 Ų | 131 | 120.4 Ų | 120.4 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -74 | 4.9 | 177.6 | -64.5 | -32.1 | 0 | 0 | 0 | 113.9 | L463 | L463-D467 PolarHBondContact O-N 2.68Š|
| 468 | Q | 41.5 | Very low | 54.9 | Low | 167 Ų | 167 | 117.4 Ų | 117.4 | 78% | 0.78 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -116.4 | 77.2 | 164.8 | -68 | -160.3 | 1.7 | 0 | 0 | 111.6 | V466 | V466-Q468 PolarHBondContact O-N 3.35Å; V466-Q468 VanDerWaalsContact O-N 3.12Å |
| 469 | G | 37.7 | Very low | 53.8 | Low | 64 Ų | 64 | 117.5 Ų | 117.5 | 66% | 0.66 | 65% | 0.652 | S | S | * | * | | | trans | -68.5 | 165.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 470 | P | 41 | Very low | 52.5 | Low | 119 Ų | 119 | 121.7 Ų | 121.7 | 77% | 0.773 | 66% | 0.662 | S | S | * | * | | | cis | -113.1 | 154.6 | 13.4 | 38.1 | -29.4 | 0 | 0 | 0 | 115.1 | R472 | P470-R472 PolarHBondContact O-N 3.07Š|
| 471 | L | 36.5 | Very low | 51.9 | Low | 179 Ų | 179 | 124 Ų | 124 | 94% | 0.937 | 67% | 0.669 | S | S | * | * | | | trans | -59.5 | 116.2 | 172.5 | -65.1 | 166.1 | 0 | 0 | 0 | 111.9 | | |
| 472 | R | 45.3 | Very low | 50.9 | Low | 228 Ų | 228 | 125.3 Ų | 125.3 | 86% | 0.86 | 67% | 0.672 | S | S | * | * | | | trans | -135.2 | 110.9 | 161.9 | -79.9 | -161.7 | 162.9 | -153 | -6 | 112.7 | P470 | P470-R472 PolarHBondContact O-N 3.07Š|
| 473 | S | 47.6 | Very low | 49.8 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 79% | 0.79 | 69% | 0.69 | S | S | * | * | | | trans | 50.1 | 119.4 | 162.1 | 54.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 474 | K | 49 | Very low | 48.9 | Very low | 197 Ų | 197 | 134.5 Ų | 134.5 | 86% | 0.857 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -51 | 138.8 | 150.9 | -71 | 178.5 | 176.8 | 177.2 | 0 | 108.8 | D476 | K474-D476 PolarHBondContact O-N 3.39Š|
| 475 | P | 57.7 | Low | 48.1 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 127.5 | 166.3 | 28.2 | -32.8 | 0 | 0 | 0 | 108.8 | | |
| 476 | D | 48.5 | Very low | 47.3 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 51% | 0.513 | 71% | 0.708 | S | S | . | * | P | Polyproline II helix | trans | -68.2 | 140.1 | 175.9 | 174.6 | 43.1 | 0 | 0 | 0 | 111.3 | K474 T478 N479 | K474-D476 PolarHBondContact O-N 3.39Å; D476-T478 PolarHBondContact O-N 2.71Å; D476-T478 VanDerWaalsContact O-N 3.16Å; D476-T478 WeakPolarHBondContact OD2-CB 3.29Å; D476-T478 PolarHBondContact OD2-OG1 3Å; D476-N479 WeakPolarHBondContact O-CB 3.44Å; D476-N479 PolarHBondContact O-N 3.45Å |
| 477 | L | 57 | Low | 46.6 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 66% | 0.66 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -32.3 | -173.5 | -177.6 | 60.6 | 0 | 0 | 0 | 112.1 | N479 Y480 I481 | L477-N479 PolarHBondContact O-N 3.2Å; L477-N479 VanDerWaalsContact O-N 3.16Å; L477-Y480 PolarHBondContact O-N 3.12Å; L477-I481 HydrophobicContact CG-CD1 4.21Å |
| 478 | T | 60.3 | Low | 46 | Very low | 65 Ų | 65 | 135.3 Ų | 135.3 | 40% | 0.399 | 72% | 0.724 | S | S | . | * | H | α-helix | trans | -56.9 | -28.9 | 177.2 | -37 | 0 | 0 | 0 | 0 | 112.9 | D476 Y480 I481 N482 | D476-T478 PolarHBondContact O-N 2.71Å; D476-T478 VanDerWaalsContact O-N 3.16Å; D476-T478 WeakPolarHBondContact OD2-CB 3.29Å; D476-T478 PolarHBondContact OD2-OG1 3Å; T478-Y480 PolarHBondContact O-N 3.5Å; T478-I481 PolarHBondContact O-N 3.45Å; T478-N482 PolarHBondContact O-N 2.64Å |
| 479 | N | 54.1 | Low | 45.8 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 51% | 0.508 | 73% | 0.727 | S | S | . | * | H | α-helix | trans | -69.8 | -17 | 175.9 | -80.7 | -94.6 | 0 | 0 | 0 | 113.8 | D476 L477 R1077 | D476-N479 WeakPolarHBondContact O-CB 3.44Å; D476-N479 PolarHBondContact O-N 3.45Å; L477-N479 PolarHBondContact O-N 3.2Å; L477-N479 VanDerWaalsContact O-N 3.16Å; N479-R1077 PolarHBondContact OD1-NH2 2.84Å |
| 480 | Y | 46.5 | Very low | 45.4 | Very low | 196 Ų | 196 | 138.8 Ų | 138.8 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -93.7 | -21.9 | 176.1 | -135.9 | -86.1 | 0 | 0 | 0 | 112.8 | L477 T478 | L477-Y480 PolarHBondContact O-N 3.12Å; T478-Y480 PolarHBondContact O-N 3.5Å |
| 481 | I | 55.7 | Low | 45.3 | Very low | 105 Ų | 105 | 141.2 Ų | 141.2 | 54% | 0.538 | 74% | 0.735 | S | S | . | * | H | α-helix | trans | -84.5 | -43.1 | -178.7 | -62.2 | 171.8 | 0 | 0 | 0 | 110.6 | L477 T478 R483 | L477-I481 HydrophobicContact CG-CD1 4.21Å; T478-I481 PolarHBondContact O-N 3.45Å; I481-R483 PolarHBondContact O-N 2.87Å |
| 482 | N | 50.6 | Low | 45.2 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 67% | 0.668 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 26.3 | -172.5 | -68.6 | -0.1 | 0 | 0 | 0 | 115.3 | T478 | T478-N482 PolarHBondContact O-N 2.64Š|
| 483 | R | 45.2 | Very low | 44.7 | Very low | 231 Ų | 231 | 136.5 Ų | 136.5 | 87% | 0.872 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.9 | 10.6 | 177.5 | -155.4 | -177 | 165.7 | -142.3 | -7.6 | 113.8 | I481 | I481-R483 PolarHBondContact O-N 2.87Š|
| 484 | I | 42.5 | Very low | 44.2 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -119.4 | -2.4 | -175.4 | -65.2 | 177.7 | 0 | 0 | 0 | 112.2 | | |
| 485 | V | 42.2 | Very low | 43.6 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 81% | 0.806 | 73% | 0.725 | S | S | * | * | | | trans | -129.7 | 128 | -177.3 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 486 | G | 35.7 | Very low | 42.2 | Very low | 64 Ų | 64 | 132.4 Ų | 132.4 | 66% | 0.66 | 73% | 0.726 | S | S | * | * | | | trans | 92.3 | 126.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 487 | N | 38.5 | Very low | 41.8 | Very low | 169 Ų | 169 | 135.7 Ų | 135.7 | 90% | 0.904 | 74% | 0.743 | S | S | * | * | | | cis | -146.2 | 151.1 | -10.1 | -110.3 | -12.3 | 0 | 0 | 0 | 110 | | |
| 488 | S | 32.1 | Very low | 40.7 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | | | trans | -93 | 131.8 | -178 | 55.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 489 | S | 38 | Very low | 39.6 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | | | trans | -142.9 | 121.2 | 156.1 | 48.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 490 | F | 30.3 | Very low | 38.4 | Very low | 184 Ų | 184 | 139.7 Ų | 139.7 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | | | trans | -91.6 | 147.7 | -179.8 | -65.9 | -100 | 0 | 0 | 0 | 110.6 | | |
| 491 | H | 38.6 | Very low | 37.8 | Very low | 170 Ų | 170 | 136.4 Ų | 136.4 | 79% | 0.787 | 76% | 0.759 | S | S | * | * | | | trans | 165.6 | 145.5 | 144 | -95.5 | -80.2 | 0 | 0 | 0 | 108.1 | | |
| 492 | R | 34 | Very low | 36.9 | Very low | 220 Ų | 220 | 140.7 Ų | 140.7 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | | | cis | -158.1 | 147.1 | -31.6 | 168.9 | 175.4 | -79.7 | -154.4 | -2.3 | 105.8 | | |
| 493 | A | 34.4 | Very low | 36.2 | Very low | 87 Ų | 87 | 140.1 Ų | 140.1 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | | | trans | -80.1 | -172.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 494 | V | 38.5 | Very low | 35.8 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 93% | 0.927 | 78% | 0.775 | S | S | * | * | | | trans | 92.6 | 128.3 | -173.8 | -174.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 495 | G | 35.3 | Very low | 35.7 | Very low | 75 Ų | 75 | 134.3 Ų | 134.3 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | cis | -163.3 | 173.3 | 2 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 496 | C | 28.9 | Very low | 35.9 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | -95.2 | 143.2 | -177.8 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 497 | L | 39.7 | Very low | 36.3 | Very low | 165 Ų | 165 | 136 Ų | 136 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | | -158 | 159.7 | 128.3 | -132.4 | 76.6 | 0 | 0 | 0 | 112.4 | | |
| 498 | D | 33.9 | Very low | 36.3 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 67% | 0.674 | 76% | 0.763 | S | S | * | * | | | trans | -110.6 | 140.3 | -175.8 | 164 | 35.9 | 0 | 0 | 0 | 110.3 | | |
| 499 | Q | 36.3 | Very low | 36.6 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | | | trans | -178.1 | 130.1 | 136.8 | -100.8 | 151.1 | 107.6 | 0 | 0 | 114.9 | | |
| 500 | S | 28.9 | Very low | 36.5 | Very low | 82 Ų | 82 | 138.9 Ų | 138.9 | 57% | 0.573 | 76% | 0.764 | S | S | * | * | | | trans | 13.8 | 138.2 | 144.7 | 53.3 | 0 | 0 | 0 | 0 | 122 | | |
| 501 | N | 35.4 | Very low | 36.6 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | | | | 174 | 114.7 | 97.2 | -89.1 | -62.5 | 0 | 0 | 0 | 114.4 | | |
| 502 | F | 35.8 | Very low | 36.9 | Very low | 194 Ų | 194 | 134.1 Ų | 134.1 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | | | trans | 55.2 | 155.6 | 150.8 | -66.1 | -78.1 | 0 | 0 | 0 | 122.3 | | |
| 503 | P | 37 | Very low | 37.3 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | | | trans | -102.8 | 153.7 | -159 | 38.8 | -35.1 | 0 | 0 | 0 | 115.6 | | |
| 504 | V | 36.6 | Very low | 38.3 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | trans | -132.3 | 126.1 | 167.7 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 505 | P | 39.6 | Very low | 39.2 | Very low | 121 Ų | 121 | 132 Ų | 132 | 79% | 0.786 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 131.1 | -177.8 | 34 | -31.9 | 0 | 0 | 0 | 114 | | |
| 506 | P | 46.2 | Very low | 40 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 74% | 0.74 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 171.9 | 160.5 | -6.2 | 26.1 | 0 | 0 | 0 | 112.5 | | |
| 507 | P | 44.5 | Very low | 40.8 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 173.5 | -153 | -12.6 | 30.7 | 0 | 0 | 0 | 116.9 | | |
| 508 | P | 39.1 | Very low | 42 | Very low | 91 Ų | 91 | 130.2 Ų | 130.2 | 59% | 0.591 | 71% | 0.71 | S | S | * | * | | | trans | -82.5 | -177.6 | 176.7 | 36.6 | -36 | 0 | 0 | 0 | 113.3 | | |
| 509 | W | 37.2 | Very low | 42.8 | Very low | 228 Ų | 228 | 127 Ų | 127 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | | | trans | 75.6 | 146.3 | -175.7 | -45.5 | -68.1 | 0 | 0 | 0 | 113.8 | | |
| 510 | D | 36.6 | Very low | 43.4 | Very low | 134 Ų | 134 | 122.8 Ų | 122.8 | 72% | 0.717 | 70% | 0.695 | S | S | * | * | | | cis | -136.1 | -177.4 | 4.5 | -140.6 | -45 | 0 | 0 | 0 | 113.1 | | |
| 511 | N | 32 | Very low | 44.1 | Very low | 150 Ų | 150 | 121.8 Ų | 121.8 | 80% | 0.802 | 69% | 0.687 | S | S | * | * | | | trans | -82.4 | 118.5 | -161.8 | -70.4 | -95.3 | 0 | 0 | 0 | 114.4 | | |
| 512 | E | 44.9 | Very low | 44.3 | Very low | 105 Ų | 105 | 123 Ų | 123 | 49% | 0.491 | 69% | 0.693 | S | S | . | * | | | trans | -151.9 | 144.1 | 146.7 | -155.6 | 165.2 | -136 | 0 | 0 | 114.9 | K514 | E512-K514 HydrophobicContact CB-CD 4.3Å; E512-K514 PolarHBondContact O-N 3.2Å; E512-K514 VanDerWaalsContact O-N 3.13Å; E512-K514 IonicContact OE2-NZ 2.78Å; E512-K514 PolarHBondContact OE2-NZ 3.01Å |
| 513 | R | 42.6 | Very low | 44.5 | Very low | 244 Ų | 244 | 120.4 Ų | 120.4 | 92% | 0.921 | 68% | 0.683 | S | S | * | * | | | trans | -88.4 | 73.6 | -169.5 | -60.9 | -177 | -176.6 | -155.4 | 1.1 | 112.9 | | |
| 514 | K | 54.7 | Low | 44.3 | Very low | 114 Ų | 114 | 123.3 Ų | 123.3 | 50% | 0.496 | 69% | 0.687 | S | S | . | * | | | trans | -77.5 | 131.7 | 168.2 | -81 | 85.8 | 179.1 | -172.2 | 0 | 111.3 | E512 C521 | E512-K514 HydrophobicContact CB-CD 4.3Å; E512-K514 PolarHBondContact O-N 3.2Å; E512-K514 VanDerWaalsContact O-N 3.13Å; E512-K514 IonicContact OE2-NZ 2.78Å; E512-K514 PolarHBondContact OE2-NZ 3.01Å; K514-C521 WeakPolarHBondContact CE-SG 3.42Å; K514-C521 VanDerWaalsContact CG-SG 3.53Å |
| 515 | C | 57.8 | Low | 44.2 | Very low | 56 Ų | 56 | 128 Ų | 128 | 38% | 0.378 | 69% | 0.69 | S | S | . | * | | | trans | -86.4 | 123.3 | -179.2 | 179 | 0 | 0 | 0 | 0 | 111.9 | A517 C518 G519 | C515-A517 PolarHBondContact O-N 3.41Å; C515-C518 VanDerWaalsContact CB-SG 3.57Å; C515-C518 PolarHBondContact O-N 3.47Å; C515-G519 PolarHBondContact O-N 3.03Å; C515-G519 VanDerWaalsContact O-N 3.1Å |
| 516 | P | 52.2 | Low | 43.6 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 92% | 0.922 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -1.4 | -174.8 | 30.8 | -37.3 | 0 | 0 | 0 | 114.8 | | |
| 517 | A | 45.6 | Very low | 43.2 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 79% | 0.793 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | -10.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | C515 | C515-A517 PolarHBondContact O-N 3.41Š|
| 518 | C | 64.6 | Low | 42.6 | Very low | 83 Ų | 83 | 127.4 Ų | 127.4 | 56% | 0.561 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.1 | -5.2 | -177.3 | 65.7 | 0 | 0 | 0 | 0 | 116 | C515 S520 | C515-C518 VanDerWaalsContact CB-SG 3.57Å; C515-C518 PolarHBondContact O-N 3.47Å; C518-S520 PolarHBondContact O-N 3.48Å; C518-S520 PolarHBondContact SG-OG 2.96Å |
| 519 | G | 52.2 | Low | 42.2 | Very low | 57 Ų | 57 | 132.3 Ų | 132.3 | 59% | 0.588 | 71% | 0.71 | S | S | * | * | | | trans | 67.5 | -13.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | C515 C521 | C515-G519 PolarHBondContact O-N 3.03Å; C515-G519 VanDerWaalsContact O-N 3.1Å; G519-C521 PolarHBondContact O-N 3.46Å |
| 520 | S | 48.1 | Very low | 41.8 | Very low | 74 Ų | 74 | 130.7 Ų | 130.7 | 52% | 0.517 | 71% | 0.712 | S | S | . | * | | | trans | -69.9 | 120.9 | -178.2 | 57 | 0 | 0 | 0 | 0 | 112.2 | C518 | C518-S520 PolarHBondContact O-N 3.48Å; C518-S520 PolarHBondContact SG-OG 2.96Å |
| 521 | C | 43.6 | Very low | 41.5 | Very low | 61 Ų | 61 | 135.5 Ų | 135.5 | 41% | 0.412 | 72% | 0.72 | S | S | . | * | | | trans | -91.9 | 124.4 | 169.2 | -43.1 | 0 | 0 | 0 | 0 | 107.3 | K514 G519 | K514-C521 WeakPolarHBondContact CE-SG 3.42Å; K514-C521 VanDerWaalsContact CG-SG 3.53Å; G519-C521 PolarHBondContact O-N 3.46Å |
| 522 | L | 40.4 | Very low | 41.5 | Very low | 152 Ų | 152 | 133.5 Ų | 133.5 | 80% | 0.796 | 72% | 0.724 | S | S | * | * | | | trans | -103.1 | 80.7 | 178.4 | -151.8 | 169.8 | 0 | 0 | 0 | 108.5 | E524 | L522-E524 HydrophobicContact CD2-CG 3.9Å; L522-E524 PolarHBondContact O-N 3.03Å |
| 523 | E | 39 | Very low | 40.8 | Very low | 141 Ų | 141 | 132.9 Ų | 132.9 | 66% | 0.659 | 74% | 0.737 | S | S | * | * | | | trans | -91.1 | 71.8 | -167.5 | -156.9 | 169.4 | 151.6 | 0 | 0 | 111.3 | R525 | E523-R525 PolarHBondContact O-N 2.93Å; E523-R525 VanDerWaalsContact O-N 3.14Å |
| 524 | E | 32.7 | Very low | 40.4 | Very low | 175 Ų | 175 | 127.2 Ų | 127.2 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | trans | -73.1 | 96.7 | 170.5 | -80.5 | -168 | 148 | 0 | 0 | 111.2 | L522 | L522-E524 HydrophobicContact CD2-CG 3.9Å; L522-E524 PolarHBondContact O-N 3.03Å |
| 525 | R | 34.6 | Very low | 39.4 | Very low | 233 Ų | 233 | 126.2 Ų | 126.2 | 88% | 0.879 | 74% | 0.735 | S | S | * | * | | | trans | -138.5 | 118.8 | 154.5 | -74.1 | -163.4 | 172 | -177.3 | -0.6 | 111.9 | E523 | E523-R525 PolarHBondContact O-N 2.93Å; E523-R525 VanDerWaalsContact O-N 3.14Å |
| 526 | C | 28 | Very low | 38.4 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 131.4 | 173.3 | -50.5 | 0 | 0 | 0 | 0 | 111 | | |
| 527 | P | 36.5 | Very low | 37.8 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 134.3 | 148.1 | 32.6 | -28 | 0 | 0 | 0 | 109.3 | | |
| 528 | A | 32.4 | Very low | 37.6 | Very low | 89 Ų | 89 | 133 Ų | 133 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 157.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 529 | E | 31 | Very low | 36.5 | Very low | 195 Ų | 195 | 135.8 Ų | 135.8 | 91% | 0.911 | 74% | 0.743 | S | S | * | * | | | trans | 27 | 107.3 | 161.1 | -58.9 | -173.4 | 106.1 | 0 | 0 | 119.3 | | |
| 530 | E | 28.9 | Very low | 35.9 | Very low | 194 Ų | 194 | 143.1 Ų | 143.1 | 91% | 0.907 | 75% | 0.753 | S | S | * | * | | | | -161.5 | 168.3 | 106.4 | -169.2 | 153 | -164.3 | 0 | 0 | 111 | | |
| 531 | R | 29 | Very low | 35.6 | Very low | 235 Ų | 235 | 143.3 Ų | 143.3 | 89% | 0.887 | 75% | 0.754 | S | S | * | * | | | trans | -87.2 | 137.5 | -174.3 | -55.1 | 163.5 | 172.1 | 176.1 | -2.5 | 112.9 | | |
| 532 | A | 32.4 | Very low | 35.3 | Very low | 107 Ų | 107 | 146.6 Ų | 146.6 | 88% | 0.884 | 77% | 0.767 | S | S | * | * | | | trans | -155.9 | 149 | 140.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 533 | A | 30.6 | Very low | 35.3 | Very low | 92 Ų | 92 | 146.6 Ų | 146.6 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | | | trans | -97.4 | 133.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 534 | S | 33.5 | Very low | 35.1 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | | | trans | 174.4 | 139 | 144.6 | -78.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 535 | D | 34.9 | Very low | 35.4 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 50% | 0.497 | 75% | 0.75 | S | S | . | * | | | cis | -144.4 | 80.6 | -12.1 | -179.6 | 20.4 | 0 | 0 | 0 | 110.9 | R537 | D535-R537 PolarHBondContact O-N 3.4Å; D535-R537 PolarHBondContact OD1-N 2.83Å |
| 536 | L | 37.2 | Very low | 35.4 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 28.3 | 179.3 | -76.1 | 170.4 | 0 | 0 | 0 | 114.3 | | |
| 537 | R | 38.5 | Very low | 35.7 | Very low | 190 Ų | 190 | 134.8 Ų | 134.8 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -24.9 | 174 | -83.4 | -179.4 | -81.3 | -133.8 | -2.5 | 115 | D535 S541 | D535-R537 PolarHBondContact O-N 3.4Å; D535-R537 PolarHBondContact OD1-N 2.83Å; R537-S541 WeakPolarHBondContact O-CB 3.21Å; R537-S541 PolarHBondContact O-N 2.97Å; R537-S541 PolarHBondContact O-OG 3.37Å |
| 538 | V | 41 | Very low | 35.5 | Very low | 89 Ų | 89 | 133 Ų | 133 | 54% | 0.539 | 74% | 0.737 | S | S | . | * | H | α-helix | trans | -67.7 | -47.6 | -179.7 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | R540 S541 L542 | V538-R540 PolarHBondContact O-N 3.32Å; V538-S541 WeakPolarHBondContact O-CB 3.19Å; V538-S541 PolarHBondContact O-N 3.46Å; V538-S541 VanDerWaalsContact O-N 3.11Å; V538-L542 PolarHBondContact O-N 3.1Å |
| 539 | L | 42.7 | Very low | 35.6 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -64.5 | -38 | -179.7 | -89.1 | 161.5 | 0 | 0 | 0 | 113.4 | S541 | L539-S541 PolarHBondContact O-N 3.42Å |
| 540 | R | 39.9 | Very low | 35.7 | Very low | 211 Ų | 211 | 133.4 Ų | 133.4 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -70 | -16 | 176.3 | -164.7 | 169.4 | -178.1 | 133 | 2 | 113.1 | V538 A544 | V538-R540 PolarHBondContact O-N 3.32Å; R540-A544 WeakPolarHBondContact O-CB 3.15Å |
| 541 | S | 40 | Very low | 35.8 | Very low | 77 Ų | 77 | 130.7 Ų | 130.7 | 54% | 0.538 | 74% | 0.736 | S | S | . | * | H | α-helix | trans | -89.6 | -24.8 | -178.7 | -58 | 0 | 0 | 0 | 0 | 113.7 | R537 V538 L539 | R537-S541 WeakPolarHBondContact O-CB 3.21Å; R537-S541 PolarHBondContact O-N 2.97Å; R537-S541 PolarHBondContact O-OG 3.37Å; V538-S541 WeakPolarHBondContact O-CB 3.19Å; V538-S541 PolarHBondContact O-N 3.46Å; V538-S541 VanDerWaalsContact O-N 3.11Å; L539-S541 PolarHBondContact O-N 3.42Å |
| 542 | L | 38 | Very low | 36.1 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 68% | 0.681 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -78.3 | -38 | 170.8 | -97.3 | 75.4 | 0 | 0 | 0 | 112.2 | V538 A544 A545 | V538-L542 PolarHBondContact O-N 3.1Å; L542-A544 VanDerWaalsContact C-N 3.27Å; L542-A544 PolarHBondContact O-N 3.36Å; L542-A545 PolarHBondContact O-N 2.86Å |
| 543 | Q | 40.1 | Very low | 36.4 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 71% | 0.71 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -71.4 | -23.8 | 179.7 | -163 | 166.2 | 3.3 | 0 | 0 | 112.7 | A545 | Q543-A545 VanDerWaalsContact C-N 3.32Å |
| 544 | A | 36.5 | Very low | 36.5 | Very low | 73 Ų | 73 | 129.7 Ų | 129.7 | 60% | 0.603 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 3.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R540 L542 | R540-A544 WeakPolarHBondContact O-CB 3.15Å; L542-A544 VanDerWaalsContact C-N 3.27Å; L542-A544 PolarHBondContact O-N 3.36Å |
| 545 | A | 38.1 | Very low | 36.6 | Very low | 72 Ų | 72 | 129.7 Ų | 129.7 | 60% | 0.595 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -5.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L542 Q543 | L542-A545 PolarHBondContact O-N 2.86Å; Q543-A545 VanDerWaalsContact C-N 3.32Å |
| 546 | C | 34.1 | Very low | 36.5 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -112.4 | -3 | -175.4 | -64.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 547 | E | 33.7 | Very low | 36 | Very low | 168 Ų | 168 | 131 Ų | 131 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -113.6 | 30.2 | -174.5 | -61.4 | -174.9 | 156 | 0 | 0 | 112.4 | | |
| 548 | A | 33.3 | Very low | 35.6 | Very low | 84 Ų | 84 | 126.3 Ų | 126.3 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -112.5 | -9.4 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 549 | E | 33.7 | Very low | 35.3 | Very low | 203 Ų | 203 | 130.5 Ų | 130.5 | 95% | 0.949 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -125.4 | 65.6 | 173.8 | -71.7 | -151.2 | 147.1 | 0 | 0 | 111.9 | | |
| 550 | A | 32.9 | Very low | 34.7 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | | | trans | -143.8 | 13.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 551 | V | 32.6 | Very low | 34.5 | Very low | 137 Ų | 137 | 126.1 Ų | 126.1 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | | | trans | -138 | 65.1 | -177.5 | -164 | 0 | 0 | 0 | 0 | 112.4 | | |
| 552 | L | 35.4 | Very low | 34.2 | Very low | 167 Ų | 167 | 127.9 Ų | 127.9 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | | | trans | -141 | 146.7 | 158.8 | -80.2 | -177.8 | 0 | 0 | 0 | 110.5 | | |
| 553 | L | 36.9 | Very low | 33.8 | Very low | 178 Ų | 178 | 127 Ų | 127 | 93% | 0.932 | 79% | 0.785 | S | S | * | * | | | trans | 70.4 | 111.1 | -176.7 | -50.8 | -177.3 | 0 | 0 | 0 | 114.9 | | |
| 554 | G | 34.6 | Very low | 33.8 | Very low | 68 Ų | 68 | 124.4 Ų | 124.4 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | trans | -91.3 | -165 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 555 | P | 34.5 | Very low | 33.8 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | | | trans | -81.9 | 146.7 | -162.6 | 32.2 | -36.4 | 0 | 0 | 0 | 114.4 | | |
| 556 | C | 32.6 | Very low | 33.7 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 89% | 0.892 | 81% | 0.807 | S | S | * | * | | | trans | -130 | 120 | 157.5 | -72.7 | 0 | 0 | 0 | 0 | 109 | | |
| 557 | N | 27.4 | Very low | 33.9 | Very low | 148 Ų | 148 | 131.2 Ų | 131.2 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | trans | -89.3 | 158.2 | 171.8 | -83.5 | -22.4 | 0 | 0 | 0 | 110.9 | | |
| 558 | S | 29.4 | Very low | 34.1 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 64% | 0.643 | 81% | 0.808 | S | S | * | * | | | trans | 65.4 | 161.5 | 150.8 | 60.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 559 | H | 35 | Very low | 34.1 | Very low | 176 Ų | 176 | 135 Ų | 135 | 82% | 0.815 | 81% | 0.81 | S | S | * | * | | | trans | 74.3 | 108.5 | 177.5 | -44.8 | -66.7 | 0 | 0 | 0 | 114.7 | | |
| 560 | G | 30.4 | Very low | 34.2 | Very low | 77 Ų | 77 | 132 Ų | 132 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | trans | -85.8 | 164 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 561 | L | 36.5 | Very low | 34.5 | Very low | 184 Ų | 184 | 134.8 Ų | 134.8 | 96% | 0.963 | 80% | 0.804 | S | S | * | * | | | trans | -119.2 | 135.6 | 162 | -68.7 | 174.2 | 0 | 0 | 0 | 108 | | |
| 562 | S | 32.1 | Very low | 34.9 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | | | trans | -101.8 | 158.4 | -177.8 | 51.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 563 | S | 29.4 | Very low | 35.2 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | 72.3 | 174.4 | 156.2 | -129.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 564 | P | 42 | Very low | 35.4 | Very low | 98 Ų | 98 | 140.2 Ų | 140.2 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | | | | -136.6 | 163.7 | -97.1 | 40.5 | -23.7 | 0 | 0 | 0 | 114.8 | | |
| 565 | F | 35.2 | Very low | 35.7 | Very low | 213 Ų | 213 | 145.2 Ų | 145.2 | 93% | 0.934 | 80% | 0.8 | S | S | * | * | | | trans | -153.2 | 147 | 146.4 | -87.9 | -63.2 | 0 | 0 | 0 | 111.5 | | |
| 566 | P | 36.4 | Very low | 36 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | | | trans | -106.6 | 167.3 | -170.2 | 40.4 | -34.6 | 0 | 0 | 0 | 114.7 | | |
| 567 | G | 37.5 | Very low | 36.3 | Very low | 68 Ų | 68 | 146.4 Ų | 146.4 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | 92.9 | 111.8 | 151.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 568 | L | 37.6 | Very low | 36.9 | Very low | 172 Ų | 172 | 147.1 Ų | 147.1 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | | | | -175.1 | 94.1 | 107.2 | -95.9 | 170.2 | 0 | 0 | 0 | 112 | | |
| 569 | H | 33.5 | Very low | 37.4 | Very low | 159 Ų | 159 | 148 Ų | 148 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | trans | -7.6 | 119.7 | 155.3 | -176.7 | -79.1 | 0 | 0 | 0 | 119.3 | | |
| 570 | T | 36.2 | Very low | 37.5 | Very low | 140 Ų | 140 | 147.2 Ų | 147.2 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | | | trans | -136.4 | 90 | 146.1 | 50.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 571 | E | 40.1 | Very low | 37.8 | Very low | 150 Ų | 150 | 150 Ų | 150 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | trans | 26.7 | 112.6 | 148.8 | -162.9 | 175.6 | 164.8 | 0 | 0 | 119.6 | I573 | E571-I573 PolarHBondContact O-N 3.47Š|
| 572 | W | 40.8 | Very low | 37.7 | Very low | 238 Ų | 238 | 148.4 Ų | 148.4 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | trans | -82.1 | 108.4 | 167.9 | -144 | -35.1 | 0 | 0 | 0 | 109.5 | R574 | W572-R574 PolarHBondContact O-N 2.96Š|
| 573 | I | 40.4 | Very low | 37.9 | Very low | 145 Ų | 145 | 147 Ų | 147 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | | | trans | -66.5 | 109.3 | 172.7 | -62.1 | 178.2 | 0 | 0 | 0 | 108.4 | E571 E575 | E571-I573 PolarHBondContact O-N 3.47Å; I573-E575 PolarHBondContact O-N 3.42Å |
| 574 | R | 41.2 | Very low | 38.3 | Very low | 213 Ų | 213 | 146.9 Ų | 146.9 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -79 | 109.3 | 174 | -74.8 | 173.6 | -88.3 | -142 | -3.2 | 108.9 | W572 T576 | W572-R574 PolarHBondContact O-N 2.96Å; R574-T576 HydrophobicContact CB-CG2 4.15Å; R574-T576 PolarHBondContact O-N 3.13Å |
| 575 | E | 42 | Very low | 38.1 | Very low | 172 Ų | 172 | 146.2 Ų | 146.2 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -76.8 | 81.3 | 170.4 | -157.3 | 155.4 | -129.7 | 0 | 0 | 107.7 | I573 H577 | I573-E575 PolarHBondContact O-N 3.42Å; E575-H577 PolarHBondContact O-N 2.84Å |
| 576 | T | 40.6 | Very low | 38.3 | Very low | 110 Ų | 110 | 140 Ų | 140 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | | | trans | -68.1 | 125.2 | -170.7 | 46.1 | 0 | 0 | 0 | 0 | 112 | R574 I578 | R574-T576 HydrophobicContact CB-CG2 4.15Å; R574-T576 PolarHBondContact O-N 3.13Å; T576-I578 PolarHBondContact O-N 2.8Å |
| 577 | H | 38.5 | Very low | 38.5 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 80% | 0.796 | 73% | 0.726 | S | S | * | * | | | trans | -63.7 | 123.3 | 168.4 | -73.8 | -125.6 | 0 | 0 | 0 | 109.7 | E575 T579 | E575-H577 PolarHBondContact O-N 2.84Å; H577-T579 PolarHBondContact O-N 3.32Å |
| 578 | I | 40.4 | Very low | 38.7 | Very low | 163 Ų | 163 | 139.5 Ų | 139.5 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | | | trans | -84.8 | 88.4 | 167.1 | -57.9 | 178.3 | 0 | 0 | 0 | 107.3 | T576 | T576-I578 PolarHBondContact O-N 2.8Š|
| 579 | T | 40.4 | Very low | 38.8 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 68% | 0.675 | 71% | 0.709 | S | S | * | * | | | trans | -94.1 | 117.5 | 166.8 | 42 | 0 | 0 | 0 | 0 | 109.6 | H577 T581 | H577-T579 PolarHBondContact O-N 3.32Å; T579-T581 PolarHBondContact O-N 2.98Å |
| 580 | D | 36.4 | Very low | 39.3 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 85% | 0.85 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -64.3 | 96.4 | 164.8 | -85.7 | -45.1 | 0 | 0 | 0 | 109.9 | | |
| 581 | T | 36.7 | Very low | 39.5 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 83% | 0.834 | 70% | 0.699 | S | S | * | * | | | trans | 178.6 | 125.2 | 131.4 | 29.5 | 0 | 0 | 0 | 0 | 109.8 | T579 | T579-T581 PolarHBondContact O-N 2.98Š|
| 582 | V | 35 | Very low | 39.5 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 91% | 0.909 | 70% | 0.698 | S | S | * | * | | | trans | -132.1 | 118.3 | 171.3 | 175.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 583 | A | 35.7 | Very low | 39.5 | Very low | 84 Ų | 84 | 126.8 Ų | 126.8 | 69% | 0.694 | 69% | 0.689 | S | S | * | * | | | trans | -165.9 | 151.4 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 584 | T | 36.9 | Very low | 39.9 | Very low | 110 Ų | 110 | 128 Ų | 128 | 68% | 0.675 | 70% | 0.696 | S | S | * | * | | | trans | 78.4 | 130 | -176.3 | 79.6 | 0 | 0 | 0 | 0 | 116.5 | | |
| 585 | H | 37.8 | Very low | 39.8 | Very low | 83 Ų | 83 | 124.8 Ų | 124.8 | 38% | 0.384 | 69% | 0.694 | S | S | . | * | | | cis | -162.8 | 154.9 | -20.6 | -107.9 | -52.3 | 0 | 0 | 0 | 112.2 | A655 W656 S657 | H585-A655 PolarHBondContact CD2-O 3.11Å; H585-A655 VanDerWaalsContact CD2-O 3.31Å; H585-W656 PolarHBondContact CD2-O 3.16Å; H585-W656 AromaticContact CE1-CD1 3.76Å; H585-W656 VanDerWaalsContact CG-C 3.42Å; H585-W656 VanDerWaalsContact NE2-C 3.29Å; H585-W656 VanDerWaalsContact NE2-CA 3.32Å; H585-W656 WeakPolarHBondContact NE2-CA 3.36Å; H585-W656 AromaticContact NE2-CD1 3.62Å; H585-S657 PolarHBondContact CD2-N 3.44Å; H585-S657 VanDerWaalsContact CD2-N 3.25Å; H585-S657 PolarHBondContact CE1-N 3.34Å; H585-S657 VanDerWaalsContact CE1-N 3.29Å; H585-S657 PolarHBondContact CE1-OG 2.97Å; H585-S657 WeakPolarHBondContact ND1-CA 3.24Å; H585-S657 VanDerWaalsContact ND1-CB 3.28Å; H585-S657 WeakPolarHBondContact ND1-CB 3.38Å; H585-S657 PolarHBondContact ND1-N 2.7Å; H585-S657 VanDerWaalsContact ND1-N 3.17Å; H585-S657 PolarHBondContact ND1-OG 3.11Å; H585-S657 PolarHBondContact NE2-N 3.48Å |
| 586 | P | 39.4 | Very low | 39.9 | Very low | 84 Ų | 84 | 121 Ų | 121 | 55% | 0.545 | 69% | 0.687 | S | S | . | * | | | trans | -129.6 | 158.2 | 177.1 | 41.7 | -28.9 | 0 | 0 | 0 | 117 | S657 | P586-S657 WeakPolarHBondContact O-CB 3.36Š|
| 587 | E | 41.9 | Very low | 40 | Very low | 46 Ų | 46 | 121.7 Ų | 121.7 | 22% | 0.215 | 69% | 0.691 | C | S | . | * | | | | -139.1 | 151.6 | 126.6 | -30.3 | 166.8 | 117.6 | 0 | 0 | 104.9 | H658 L659 P660 Q661 | E587-H658 HydrophobicContact CG-CB 3.78Å; E587-H658 VanDerWaalsContact CG-ND1 3.27Å; E587-H658 WeakPolarHBondContact CG-ND1 3.39Å; E587-H658 WeakPolarHBondContact OE1-CB 3.45Å; E587-H658 IonicContact OE1-CE1 3.14Å; E587-H658 IonicContact OE1-CG 3.83Å; E587-H658 IonicContact OE1-ND1 3.33Å; E587-H658 PolarHBondContact OE1-ND1 2.84Å; E587-H658 VanDerWaalsContact OE2-C 3.32Å; E587-H658 WeakPolarHBondContact OE2-CB 3.34Å; E587-L659 CarbonylContact C-O 3.57Å; E587-L659 WeakPolarHBondContact CB-O 3.28Å; E587-L659 PolarHBondContact OE2-N 3.45Å; E587-L659 VanDerWaalsContact OE2-O 3.14Å; E587-P660 WeakPolarHBondContact OE2-CA 3.3Å; E587-Q661 HydrophobicContact CB-CB 4.38Å; E587-Q661 PolarHBondContact OE2-N 3.1Å |
| 588 | E | 41.8 | Very low | 40.3 | Very low | 133 Ų | 133 | 122.2 Ų | 122.2 | 62% | 0.621 | 69% | 0.693 | S | S | * | * | | | | 81.2 | 120.2 | 58.7 | -51.1 | 167.8 | 134.7 | 0 | 0 | 114.5 | Q661 | E588-Q661 HydrophobicContact CB-CB 4.06Å; E588-Q661 HydrophobicContact CB-CG 4.16Å; E588-Q661 WeakPolarHBondContact O-CA 3.42Å; E588-Q661 VanDerWaalsContact O-CB 3.24Å; E588-Q661 WeakPolarHBondContact O-CB 3.41Å |
| 589 | E | 39.1 | Very low | 40.2 | Very low | 134 Ų | 134 | 119 Ų | 119 | 63% | 0.626 | 69% | 0.686 | S | S | * | * | | | trans | -150 | 154.1 | 143.8 | -154.9 | 174.5 | 139.9 | 0 | 0 | 108.4 | Q661 L662 | E589-Q661 HydrophobicContact CG-CG 4.48Å; E589-L662 HydrophobicContact CG-CB 4.28Å |
| 590 | E | 43.5 | Very low | 40.2 | Very low | 134 Ų | 134 | 118.1 Ų | 118.1 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | | | trans | -72.5 | 164.7 | -158.3 | -55.8 | -165.3 | 105.7 | 0 | 0 | 114 | | |
| 591 | D | 39.8 | Very low | 40.6 | Very low | 142 Ų | 142 | 117.2 Ų | 117.2 | 76% | 0.759 | 68% | 0.679 | S | S | * | * | | | | -165 | 150 | 66.5 | -172.1 | 8.2 | 0 | 0 | 0 | 113.7 | | |
| 592 | S | 41.2 | Very low | 40.8 | Very low | 99 Ų | 99 | 114.4 Ų | 114.4 | 69% | 0.692 | 67% | 0.665 | S | S | * | * | | | trans | 63.2 | 112.1 | 152.1 | -79.5 | 0 | 0 | 0 | 0 | 123 | | |
| 593 | A | 41.2 | Very low | 41 | Very low | 84 Ų | 84 | 119.4 Ų | 119.4 | 69% | 0.694 | 67% | 0.668 | S | S | * | * | | | | 100.7 | 103.6 | 116.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 594 | L | 48.5 | Very low | 41.4 | Very low | 170 Ų | 170 | 125.4 Ų | 125.4 | 89% | 0.89 | 68% | 0.678 | S | S | * | * | | | | 77.1 | 109.9 | 124.6 | -61.4 | 179 | 0 | 0 | 0 | 122.8 | | |
| 595 | D | 39.9 | Very low | 41.9 | Very low | 146 Ų | 146 | 127.8 Ų | 127.8 | 78% | 0.781 | 69% | 0.687 | S | S | * | * | | | | 115.3 | 132 | 118.3 | -157.2 | 25.8 | 0 | 0 | 0 | 121.1 | | |
| 596 | S | 43.1 | Very low | 42.2 | Very low | 92 Ų | 92 | 126.4 Ų | 126.4 | 64% | 0.643 | 70% | 0.695 | S | S | * | * | | | trans | 33.9 | 132.7 | 161.4 | -66.2 | 0 | 0 | 0 | 0 | 122.6 | | |
| 597 | T | 43.3 | Very low | 42.7 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 77% | 0.767 | 71% | 0.705 | S | S | * | * | | | cis | 95.8 | 90.6 | 30.8 | -60 | 0 | 0 | 0 | 0 | 115.7 | | |
| 598 | H | 43.3 | Very low | 42.9 | Very low | 182 Ų | 182 | 133.2 Ų | 133.2 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | | | trans | 171.7 | 159 | 148.6 | -111.7 | -86.2 | 0 | 0 | 0 | 107.8 | | |
| 599 | S | 38.8 | Very low | 42.8 | Very low | 97 Ų | 97 | 130.8 Ų | 130.8 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | | | cis | -149.6 | 156.7 | -5.7 | -159.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 600 | S | 39.8 | Very low | 42.8 | Very low | 91 Ų | 91 | 134.5 Ų | 134.5 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | | | trans | -90.7 | 148.5 | 162.8 | 167.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 601 | D | 45.2 | Very low | 42.7 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | | | | -172.9 | 122.8 | 126.9 | -93.6 | -32.7 | 0 | 0 | 0 | 108.8 | | |
| 602 | S | 40.8 | Very low | 42.4 | Very low | 77 Ų | 77 | 131.5 Ų | 131.5 | 54% | 0.538 | 74% | 0.744 | S | S | . | * | | | | 83.6 | 132 | 53 | 92.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 603 | W | 39.6 | Very low | 42.2 | Very low | 254 Ų | 254 | 136 Ų | 136 | 96% | 0.962 | 75% | 0.754 | S | S | * | * | | | trans | -174.3 | 156.4 | 145.2 | -79.5 | -21.3 | 0 | 0 | 0 | 109.5 | | |
| 604 | K | 43.8 | Very low | 41.9 | Very low | 211 Ų | 211 | 137.3 Ų | 137.3 | 92% | 0.917 | 76% | 0.758 | S | S | * | * | | | trans | -145 | 146.2 | -178.9 | -72.1 | -171.2 | 177.9 | -175.8 | 0 | 111.2 | | |
| 605 | D | 49.2 | Very low | 41.2 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | | | trans | -165.9 | 156.2 | 147.8 | -132.3 | -13.1 | 0 | 0 | 0 | 107.8 | | |
| 606 | G | 42.2 | Very low | 40.9 | Very low | 53 Ų | 53 | 138.8 Ų | 138.8 | 55% | 0.546 | 76% | 0.758 | S | S | . | * | | | cis | -151.7 | 152.1 | -7.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 607 | T | 51.4 | Low | 40.4 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | | 57.2 | 138.2 | 90.1 | 56.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 608 | D | 44.7 | Very low | 40 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | | | cis | -159.5 | -179.2 | 9.5 | -145.2 | -32.7 | 0 | 0 | 0 | 112.9 | | |
| 609 | A | 40.7 | Very low | 39.4 | Very low | 82 Ų | 82 | 136.1 Ų | 136.1 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | | | trans | 74.3 | 138.2 | 140.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 610 | R | 39.3 | Very low | 39.2 | Very low | 213 Ų | 213 | 138.8 Ų | 138.8 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | cis | -173.5 | 154.8 | -17.4 | -143.4 | -165.3 | -177.7 | -146.7 | 3 | 113 | | |
| 611 | T | 40.3 | Very low | 38.6 | Very low | 110 Ų | 110 | 141.6 Ų | 141.6 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | | | trans | 60 | 155.2 | 151.9 | 36.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 612 | S | 34.5 | Very low | 37.9 | Very low | 102 Ų | 102 | 145.8 Ų | 145.8 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | cis | -161.5 | 139.6 | -9.2 | 37.8 | 0 | 0 | 0 | 0 | 106.6 | | |
| 613 | Q | 37 | Very low | 37.5 | Very low | 194 Ų | 194 | 147.8 Ų | 147.8 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | | | cis | 76.5 | 85.7 | 47.3 | -148.3 | -169.8 | 36.3 | 0 | 0 | 115.7 | | |
| 614 | S | 35.5 | Very low | 37.1 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | -174.8 | 154 | 150.4 | 56.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 615 | S | 32 | Very low | 36.4 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | cis | 163.8 | 137.9 | -45.1 | 51.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 616 | R | 34.9 | Very low | 36 | Very low | 239 Ų | 239 | 133.8 Ų | 133.8 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | | | trans | 77.2 | 116.1 | 162.9 | -177.3 | 175.9 | -76 | -119.6 | -0.5 | 120.1 | | |
| 617 | A | 33.1 | Very low | 35.5 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | | | trans | 49.9 | 136 | 140 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 618 | G | 35 | Very low | 34.9 | Very low | 69 Ų | 69 | 140 Ų | 140 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | 149.3 | 105.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 619 | E | 30.4 | Very low | 34.3 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | | | | 55 | 135.5 | 73.8 | -102.7 | -155.1 | 88.9 | 0 | 0 | 115.4 | | |
| 620 | Q | 34.2 | Very low | 34 | Very low | 154 Ų | 154 | 144.7 Ų | 144.7 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | | | trans | 68.3 | 118.7 | 171.4 | -61.1 | 178.8 | 36.6 | 0 | 0 | 114.8 | | |
| 621 | I | 27.5 | Very low | 34 | Very low | 149 Ų | 149 | 141.8 Ų | 141.8 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | | | | 73 | 134.8 | 66.1 | -67.2 | 169.8 | 0 | 0 | 0 | 112 | | |
| 622 | R | 29.1 | Very low | 33.8 | Very low | 229 Ų | 229 | 139.9 Ų | 139.9 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | | | trans | 78.4 | 144.5 | 164.8 | -92.2 | 178.3 | 173.3 | -171 | -1.5 | 119.6 | | |
| 623 | V | 33.9 | Very low | 33.9 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | | | trans | 64 | 98.2 | 144.3 | 174.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 624 | S | 30.8 | Very low | 33.9 | Very low | 101 Ų | 101 | 141 Ų | 141 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | | 65.9 | 107.5 | 68.5 | -54.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 625 | S | 29.6 | Very low | 34.4 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | | | trans | 39.2 | 127 | 142.6 | -51 | 0 | 0 | 0 | 0 | 120.9 | | |
| 626 | P | 40.2 | Very low | 34.8 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 88% | 0.877 | 74% | 0.744 | S | S | * | * | | | | -91 | 114.7 | 115.2 | -8.3 | 26.3 | 0 | 0 | 0 | 107 | | |
| 627 | Q | 32 | Very low | 34.9 | Very low | 124 Ų | 124 | 135 Ų | 135 | 58% | 0.579 | 74% | 0.737 | S | S | * | * | | | cis | 51.4 | 71.2 | 43 | -74.4 | -152.3 | -1.7 | 0 | 0 | 114.2 | | |
| 628 | Q | 38.2 | Very low | 35.2 | Very low | 186 Ų | 186 | 133.4 Ų | 133.4 | 87% | 0.869 | 73% | 0.731 | S | S | * | * | | | | -128.6 | 115.9 | 112.4 | -63.4 | -161.3 | 14 | 0 | 0 | 105.6 | | |
| 629 | R | 31.3 | Very low | 35.6 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 51% | 0.509 | 74% | 0.737 | S | S | . | * | | | cis | 60.5 | 116.2 | 44.4 | -135.5 | -163.4 | -71 | -164.8 | 7.5 | 108 | | |
| 630 | W | 35.1 | Very low | 36 | Very low | 192 Ų | 192 | 139 Ų | 139 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | cis | -138 | 146.5 | 38.3 | -71.3 | 74.3 | 0 | 0 | 0 | 115.8 | | |
| 631 | H | 39.7 | Very low | 36 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 70% | 0.704 | 75% | 0.75 | S | S | * | * | | | trans | 32.7 | 139 | 132.5 | -59.6 | -123.5 | 0 | 0 | 0 | 119.1 | | |
| 632 | G | 35.2 | Very low | 36.4 | Very low | 70 Ų | 70 | 141.9 Ų | 141.9 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | | | cis | 141.8 | 160.3 | 15 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 633 | S | 36.3 | Very low | 36.9 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | cis | -145.2 | 150.1 | -2.1 | -76.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 634 | R | 37.6 | Very low | 37.1 | Very low | 210 Ų | 210 | 144.1 Ų | 144.1 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | | | | 72.7 | 145.8 | 52.8 | -137.9 | -137.5 | 173.5 | -130.6 | 0.7 | 112 | | |
| 635 | P | 45.9 | Very low | 37.3 | Very low | 90 Ų | 90 | 144 Ų | 144 | 58% | 0.584 | 76% | 0.758 | S | S | * | * | | | | -122.5 | -126.4 | -62 | 37.2 | -20 | 0 | 0 | 0 | 112 | | |
| 636 | Q | 41.3 | Very low | 37.4 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | | | cis | -166 | 128.6 | 36.7 | -168.7 | 153.2 | -17.4 | 0 | 0 | 115.8 | | |
| 637 | G | 36.5 | Very low | 37.2 | Very low | 74 Ų | 74 | 145 Ų | 145 | 76% | 0.763 | 76% | 0.757 | S | S | * | * | | | trans | 75 | 140 | 150 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 638 | G | 39.5 | Very low | 37.3 | Very low | 72 Ų | 72 | 148 Ų | 148 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | cis | 71 | 163.9 | -7.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 639 | P | 43 | Very low | 36.8 | Very low | 127 Ų | 127 | 147 Ų | 147 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | | | cis | -105.4 | -131.1 | 4 | 25.4 | -2.5 | 0 | 0 | 0 | 110.5 | | |
| 640 | R | 38.6 | Very low | 37.5 | Very low | 229 Ų | 229 | 145.9 Ų | 145.9 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | | | cis | -161 | 159 | 3.9 | -155 | -176.9 | -171.4 | -160.3 | 3 | 111.7 | | |
| 641 | W | 35.6 | Very low | 37.3 | Very low | 244 Ų | 244 | 142.6 Ų | 142.6 | 92% | 0.924 | 79% | 0.786 | S | S | * | * | | | trans | -97.7 | 165.9 | 175.9 | -56.1 | -60.9 | 0 | 0 | 0 | 114.9 | | |
| 642 | S | 35.9 | Very low | 36.9 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -163 | 144.6 | 148.4 | -77.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 643 | R | 38.2 | Very low | 36.7 | Very low | 240 Ų | 240 | 143.7 Ų | 143.7 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | | | cis | -147.4 | 147.6 | -8.7 | 171 | 179.4 | -71.4 | -146.9 | 0.8 | 108.4 | | |
| 644 | K | 38.3 | Very low | 36.6 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 67% | 0.674 | 79% | 0.792 | S | S | * | * | | | trans | -77.2 | 142.4 | 176.3 | -167.7 | -166.8 | -175.9 | -147 | 0 | 111.1 | E646 | K644-E646 WeakPolarHBondContact CE-OE2 3.47Å; K644-E646 IonicContact NZ-OE1 3.88Å; K644-E646 PolarHBondContact NZ-OE1 3.27Å; K644-E646 IonicContact NZ-OE2 2.95Å; K644-E646 PolarHBondContact NZ-OE2 2.67Å |
| 645 | A | 34.5 | Very low | 36.2 | Very low | 97 Ų | 97 | 139 Ų | 139 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | | | trans | -138.7 | 136.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 646 | E | 32.6 | Very low | 35.5 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 73% | 0.729 | 79% | 0.785 | S | S | * | * | | | trans | -95.9 | 135.3 | 172.1 | -85.6 | 134.9 | 120 | 0 | 0 | 109.6 | K644 | K644-E646 WeakPolarHBondContact CE-OE2 3.47Å; K644-E646 IonicContact NZ-OE1 3.88Å; K644-E646 PolarHBondContact NZ-OE1 3.27Å; K644-E646 IonicContact NZ-OE2 2.95Å; K644-E646 PolarHBondContact NZ-OE2 2.67Å |
| 647 | A | 36.3 | Very low | 34.9 | Very low | 97 Ų | 97 | 136 Ų | 136 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | | | trans | -151.2 | 154.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 648 | E | 33.2 | Very low | 34.7 | Very low | 187 Ų | 187 | 137.4 Ų | 137.4 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | | | trans | -84.8 | -179.7 | -167.3 | -67.5 | 146.1 | 123.1 | 0 | 0 | 113.8 | P650 | E648-P650 WeakPolarHBondContact O-CD 3.45Š|
| 649 | L | 28 | Very low | 34.4 | Very low | 165 Ų | 165 | 139 Ų | 139 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | | | trans | -61.1 | 137.2 | 174.5 | -68.3 | 162 | 0 | 0 | 0 | 111.5 | | |
| 650 | P | 46.9 | Very low | 34 | Very low | 111 Ų | 111 | 138 Ų | 138 | 72% | 0.721 | 73% | 0.728 | S | S | * | * | | | | -111.7 | 139.2 | 121.5 | -11.2 | 30.1 | 0 | 0 | 0 | 109.9 | E648 | E648-P650 WeakPolarHBondContact O-CD 3.45Š|
| 651 | C | 30.4 | Very low | 33.9 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 84% | 0.838 | 70% | 0.703 | S | S | * | * | | | | 60.3 | 109.6 | 63.1 | -56.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 652 | G | 32.1 | Very low | 34 | Very low | 70 Ų | 70 | 123.2 Ų | 123.2 | 72% | 0.722 | 68% | 0.682 | S | S | * | * | | | cis | 176 | 166.8 | -6.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 653 | L | 30.2 | Very low | 33.9 | Very low | 174 Ų | 174 | 124 Ų | 124 | 91% | 0.911 | 68% | 0.677 | S | S | * | * | | | trans | -135.3 | 58.9 | 160.9 | -96.9 | 174.2 | 0 | 0 | 0 | 109.4 | A655 | L653-A655 PolarHBondContact O-N 3.29Å; L653-A655 VanDerWaalsContact O-N 3.15Å |
| 654 | Q | 33.1 | Very low | 33.8 | Very low | 150 Ų | 150 | 119.5 Ų | 119.5 | 70% | 0.701 | 67% | 0.671 | S | S | * | * | | | trans | -72.9 | 85.9 | 146.5 | -78.4 | 176.4 | -52.9 | 0 | 0 | 106.8 | W656 | Q654-W656 HydrophobicContact CB-CB 4.23Å; Q654-W656 HydrophobicContact CB-CG 4.32Å; Q654-W656 HydrophobicContact CG-CG 4.42Å; Q654-W656 PolarHBondContact O-N 3.24Å; Q654-W656 VanDerWaalsContact O-N 3.1Å |
| 655 | A | 31 | Very low | 33.7 | Very low | 73 Ų | 73 | 115.4 Ų | 115.4 | 60% | 0.603 | 67% | 0.673 | S | S | * | * | | | trans | -69.9 | 87.1 | 138.5 | 0 | 0 | 0 | 0 | 0 | 104.2 | H585 L653 | H585-A655 PolarHBondContact CD2-O 3.11Å; H585-A655 VanDerWaalsContact CD2-O 3.31Å; L653-A655 PolarHBondContact O-N 3.29Å; L653-A655 VanDerWaalsContact O-N 3.15Å |
| 656 | W | 31 | Very low | 33.9 | Very low | 163 Ų | 163 | 116.9 Ų | 116.9 | 62% | 0.617 | 67% | 0.672 | S | S | * | * | | | trans | -76.5 | -163.8 | 180 | -129.3 | 30.7 | 0 | 0 | 0 | 109 | H585 Q654 H658 | H585-W656 PolarHBondContact CD2-O 3.16Å; H585-W656 AromaticContact CE1-CD1 3.76Å; H585-W656 VanDerWaalsContact CG-C 3.42Å; H585-W656 VanDerWaalsContact NE2-C 3.29Å; H585-W656 VanDerWaalsContact NE2-CA 3.32Å; H585-W656 WeakPolarHBondContact NE2-CA 3.36Å; H585-W656 AromaticContact NE2-CD1 3.62Å; Q654-W656 HydrophobicContact CB-CB 4.23Å; Q654-W656 HydrophobicContact CB-CG 4.32Å; Q654-W656 HydrophobicContact CG-CG 4.42Å; Q654-W656 PolarHBondContact O-N 3.24Å; Q654-W656 VanDerWaalsContact O-N 3.1Å; W656-H658 AromaticContact CE3-NE2 3.65Å |
| 657 | S | 28.1 | Very low | 34.2 | Very low | 30 Ų | 30 | 116.4 Ų | 116.4 | 21% | 0.21 | 68% | 0.679 | C | S | . | * | | | trans | -61.6 | 170.9 | 167.7 | 5 | 0 | 0 | 0 | 0 | 108.8 | H585 P586 | H585-S657 PolarHBondContact CD2-N 3.44Å; H585-S657 VanDerWaalsContact CD2-N 3.25Å; H585-S657 PolarHBondContact CE1-N 3.34Å; H585-S657 VanDerWaalsContact CE1-N 3.29Å; H585-S657 PolarHBondContact CE1-OG 2.97Å; H585-S657 WeakPolarHBondContact ND1-CA 3.24Å; H585-S657 VanDerWaalsContact ND1-CB 3.28Å; H585-S657 WeakPolarHBondContact ND1-CB 3.38Å; H585-S657 PolarHBondContact ND1-N 2.7Å; H585-S657 VanDerWaalsContact ND1-N 3.17Å; H585-S657 PolarHBondContact ND1-OG 3.11Å; H585-S657 PolarHBondContact NE2-N 3.48Å; P586-S657 WeakPolarHBondContact O-CB 3.36Å |
| 658 | H | 32.6 | Very low | 34.1 | Very low | 104 Ų | 104 | 115.5 Ų | 115.5 | 48% | 0.481 | 68% | 0.679 | S | S | . | * | | | | -174.6 | 120.2 | 72.6 | -86.7 | -84 | 0 | 0 | 0 | 104.6 | E587 W656 | E587-H658 HydrophobicContact CG-CB 3.78Å; E587-H658 VanDerWaalsContact CG-ND1 3.27Å; E587-H658 WeakPolarHBondContact CG-ND1 3.39Å; E587-H658 WeakPolarHBondContact OE1-CB 3.45Å; E587-H658 IonicContact OE1-CE1 3.14Å; E587-H658 IonicContact OE1-CG 3.83Å; E587-H658 IonicContact OE1-ND1 3.33Å; E587-H658 PolarHBondContact OE1-ND1 2.84Å; E587-H658 VanDerWaalsContact OE2-C 3.32Å; E587-H658 WeakPolarHBondContact OE2-CB 3.34Å; W656-H658 AromaticContact CE3-NE2 3.65Å |
| 659 | L | 32.9 | Very low | 34.4 | Very low | 106 Ų | 106 | 110.3 Ų | 110.3 | 56% | 0.555 | 68% | 0.676 | S | S | * | * | | | trans | -95.9 | 111.4 | -174.3 | -178.1 | 176 | 0 | 0 | 0 | 105.6 | E587 Q661 | E587-L659 CarbonylContact C-O 3.57Å; E587-L659 WeakPolarHBondContact CB-O 3.28Å; E587-L659 PolarHBondContact OE2-N 3.45Å; E587-L659 VanDerWaalsContact OE2-O 3.14Å; L659-Q661 PolarHBondContact O-N 2.66Å |
| 660 | P | 34.1 | Very low | 34.8 | Very low | 104 Ų | 104 | 112.1 Ų | 112.1 | 68% | 0.675 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 124 | -143.5 | 22.5 | -36.3 | 0 | 0 | 0 | 115.3 | E587 | E587-P660 WeakPolarHBondContact OE2-CA 3.3Š|
| 661 | Q | 36.4 | Very low | 34.2 | Very low | 71 Ų | 71 | 110.1 Ų | 110.1 | 33% | 0.332 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -95.6 | 154.8 | 164.5 | -174.3 | 164.5 | 33 | 0 | 0 | 113.1 | E587 E588 E589 L659 | E587-Q661 HydrophobicContact CB-CB 4.38Å; E587-Q661 PolarHBondContact OE2-N 3.1Å; E588-Q661 HydrophobicContact CB-CB 4.06Å; E588-Q661 HydrophobicContact CB-CG 4.16Å; E588-Q661 WeakPolarHBondContact O-CA 3.42Å; E588-Q661 VanDerWaalsContact O-CB 3.24Å; E588-Q661 WeakPolarHBondContact O-CB 3.41Å; E589-Q661 HydrophobicContact CG-CG 4.48Å; L659-Q661 PolarHBondContact O-N 2.66Å |
| 662 | L | 38.6 | Very low | 35.1 | Very low | 92 Ų | 92 | 114.7 Ų | 114.7 | 48% | 0.482 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -79.4 | 147.9 | 173.7 | -128.2 | 73.5 | 0 | 0 | 0 | 115.5 | E589 | E589-L662 HydrophobicContact CG-CB 4.28Š|
| 663 | D | 33.4 | Very low | 35.3 | Very low | 136 Ų | 136 | 118.2 Ų | 118.2 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | | | trans | 76.6 | 161.6 | 138 | -109.9 | -48.7 | 0 | 0 | 0 | 126.5 | | |
| 664 | D | 37.1 | Very low | 35.5 | Very low | 144 Ų | 144 | 114.7 Ų | 114.7 | 77% | 0.77 | 67% | 0.673 | S | S | * | * | | | trans | 59.4 | 65.7 | 160.3 | -114.8 | -22.7 | 0 | 0 | 0 | 123.2 | | |
| 665 | G | 35.6 | Very low | 35.8 | Very low | 70 Ų | 70 | 113.3 Ų | 113.3 | 72% | 0.722 | 68% | 0.68 | S | S | * | * | | | | 82.5 | -157.2 | 101.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 666 | V | 38.5 | Very low | 36 | Very low | 127 Ų | 127 | 113.1 Ų | 113.1 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | | | trans | 67.8 | 86.6 | 176.6 | -166.8 | 0 | 0 | 0 | 0 | 119.4 | | |
| 667 | V | 39.1 | Very low | 36.4 | Very low | 146 Ų | 146 | 114.2 Ų | 114.2 | 89% | 0.885 | 70% | 0.696 | S | S | * | * | | | | 52.8 | 127 | 124.5 | 179.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 668 | G | 34.3 | Very low | 36.7 | Very low | 78 Ų | 78 | 120.1 Ų | 120.1 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | | | | 125 | 96.7 | 125.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 669 | G | 38.3 | Very low | 37.3 | Very low | 78 Ų | 78 | 119.4 Ų | 119.4 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | | | trans | -157.8 | 109.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 670 | E | 37.5 | Very low | 37.5 | Very low | 204 Ų | 204 | 123.2 Ų | 123.2 | 95% | 0.953 | 74% | 0.743 | S | S | * | * | | | trans | -68.8 | 149.8 | 174 | -59.8 | 164.1 | 96.6 | 0 | 0 | 110.7 | | |
| 671 | G | 34.6 | Very low | 37.6 | Very low | 68 Ų | 68 | 121.7 Ų | 121.7 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | | | cis | 132.5 | 115.1 | 1.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 672 | R | 48.2 | Very low | 37.7 | Very low | 220 Ų | 220 | 124 Ų | 124 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | | | trans | -152.8 | 156 | 167.4 | -83.5 | -146.3 | 172.3 | -78.6 | -11.6 | 114.3 | | |
| 673 | E | 36.8 | Very low | 37.7 | Very low | 145 Ų | 145 | 127.4 Ų | 127.4 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | | | trans | -44.1 | 144.3 | -174.6 | -58 | 109.8 | 118.6 | 0 | 0 | 116.2 | | |
| 674 | A | 35.4 | Very low | 37.6 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | | | cis | 101.6 | 109.7 | 23.6 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 675 | S | 37.7 | Very low | 37.8 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | | | trans | 172.5 | 114.1 | 156.1 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 676 | G | 36.2 | Very low | 37.9 | Very low | 69 Ų | 69 | 132.6 Ų | 132.6 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | | 94.2 | 137 | 100.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 677 | H | 38.2 | Very low | 37.7 | Very low | 185 Ų | 185 | 135.2 Ų | 135.2 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | | | cis | -154.9 | 169 | 12.6 | -114.1 | -94.6 | 0 | 0 | 0 | 112.4 | | |
| 678 | I | 36 | Very low | 37.5 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | -148.5 | -176.3 | -179.1 | 56.3 | 171 | 0 | 0 | 0 | 109.4 | | |
| 679 | P | 44.3 | Very low | 37.6 | Very low | 90 Ų | 90 | 135.4 Ų | 135.4 | 58% | 0.584 | 78% | 0.778 | S | S | * | * | | | cis | -144.3 | -163.6 | 6 | 46 | -25.8 | 0 | 0 | 0 | 117.5 | | |
| 680 | Q | 37.5 | Very low | 37.3 | Very low | 185 Ų | 185 | 138.1 Ų | 138.1 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | 71.6 | 151 | 158.7 | -66.9 | 155 | 14.8 | 0 | 0 | 118.6 | | |
| 681 | G | 36.8 | Very low | 37.4 | Very low | 73 Ų | 73 | 133.9 Ų | 133.9 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | | | cis | 176.4 | -169.8 | 3.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 682 | T | 38.7 | Very low | 37.5 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | | | cis | -169.2 | 129.8 | -1.6 | -67.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 683 | L | 36.6 | Very low | 36.8 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | | | trans | 71.6 | 149.7 | 154.6 | -69.7 | 171.5 | 0 | 0 | 0 | 126.9 | | |
| 684 | F | 31.3 | Very low | 36.4 | Very low | 185 Ų | 185 | 131.8 Ų | 131.8 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | | | trans | -85.2 | -175.8 | 177.1 | -79.6 | -80.2 | 0 | 0 | 0 | 112.8 | | |
| 685 | P | 43.4 | Very low | 36.5 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | | | cis | -156.2 | -168.6 | 43.7 | 47.3 | -23.7 | 0 | 0 | 0 | 120.5 | | |
| 686 | E | 37 | Very low | 36.4 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | | | trans | 61 | 128.6 | 162.8 | -72 | 157.9 | 93.9 | 0 | 0 | 118.3 | | |
| 687 | E | 34.6 | Very low | 36.5 | Very low | 182 Ų | 182 | 137.2 Ų | 137.2 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | | | cis | 86.3 | 103.2 | 41.3 | -170.6 | 175.1 | 147.7 | 0 | 0 | 114.1 | | |
| 688 | D | 34.4 | Very low | 36.6 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | | | trans | -172 | 160.7 | 130.4 | -146.9 | -14 | 0 | 0 | 0 | 113.7 | | |
| 689 | A | 36.2 | Very low | 36.8 | Very low | 74 Ų | 74 | 138.8 Ų | 138.8 | 61% | 0.612 | 76% | 0.755 | S | S | * | * | | | trans | 30.8 | 112.2 | 151.8 | 0 | 0 | 0 | 0 | 0 | 124.4 | | |
| 690 | V | 33 | Very low | 36.6 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | | | | 18.8 | 131.4 | 104.6 | 170.2 | 0 | 0 | 0 | 0 | 116.9 | | |
| 691 | P | 38.9 | Very low | 36.3 | Very low | 115 Ų | 115 | 139 Ų | 139 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | | | cis | -151.9 | -169.6 | 47.3 | 37.7 | -13.7 | 0 | 0 | 0 | 118.8 | | |
| 692 | K | 37.1 | Very low | 36.4 | Very low | 188 Ų | 188 | 140.6 Ų | 140.6 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | | | trans | -43.3 | 148.9 | 157.9 | -88.4 | 176 | 175.3 | 170.3 | 0 | 114.2 | | |
| 693 | P | 32.8 | Very low | 36.2 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | | | | -126 | 167.2 | 80.4 | 6.7 | 16.6 | 0 | 0 | 0 | 113 | | |
| 694 | A | 27.4 | Very low | 36.1 | Very low | 84 Ų | 84 | 137 Ų | 137 | 69% | 0.694 | 74% | 0.739 | S | S | * | * | | | cis | 88.2 | 158 | 29.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 695 | L | 38.6 | Very low | 36.4 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | | | trans | 85.6 | 116.8 | -173.8 | -51.9 | 175.5 | 0 | 0 | 0 | 114.2 | | |
| 696 | E | 35.9 | Very low | 36 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | | | | 74.5 | 154.4 | 68.7 | -87.6 | -86.8 | 106.4 | 0 | 0 | 113.4 | | |
| 697 | P | 38.8 | Very low | 36.1 | Very low | 97 Ų | 97 | 133.8 Ų | 133.8 | 63% | 0.63 | 74% | 0.741 | S | S | * | * | | | cis | -118.9 | -171.8 | -5 | 8 | 19.6 | 0 | 0 | 0 | 112.7 | | |
| 698 | K | 39.9 | Very low | 36.4 | Very low | 189 Ų | 189 | 131.1 Ų | 131.1 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | | | cis | -151.6 | 150.3 | 5.6 | -132.8 | 152.4 | -167.1 | 168.7 | 0 | 113.7 | | |
| 699 | R | 40.3 | Very low | 36.4 | Very low | 184 Ų | 184 | 135.4 Ų | 135.4 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | | | trans | -84.9 | 171.8 | 167.2 | -95.6 | 177.1 | -171.5 | 169.3 | 6.7 | 111.7 | | |
| 700 | P | 38.6 | Very low | 36.2 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | | | | -129 | 154.3 | 50.9 | 13.7 | 13 | 0 | 0 | 0 | 116.6 | | |
| 701 | W | 33.2 | Very low | 36.2 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 60% | 0.602 | 75% | 0.749 | S | S | * | * | | | | 79.5 | 134.4 | 55.9 | -139.8 | -111.4 | 0 | 0 | 0 | 111.4 | Q703 | W701-Q703 VanDerWaalsContact CE2-OE1 3.29Š|
| 702 | S | 37.1 | Very low | 35.9 | Very low | 106 Ų | 106 | 134 Ų | 134 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | | | cis | -164.5 | -176.3 | 31 | -10.8 | 0 | 0 | 0 | 0 | 110 | | |
| 703 | Q | 34.3 | Very low | 35.8 | Very low | 143 Ų | 143 | 134 Ų | 134 | 67% | 0.668 | 75% | 0.751 | S | S | * | * | | | cis | 174.7 | 132.8 | -39.4 | 178.6 | -179.8 | 5.4 | 0 | 0 | 109.7 | W701 | W701-Q703 VanDerWaalsContact CE2-OE1 3.29Š|
| 704 | G | 34.7 | Very low | 35.5 | Very low | 64 Ų | 64 | 134.7 Ų | 134.7 | 66% | 0.66 | 76% | 0.757 | S | S | * | * | | | trans | 147.2 | 114.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 705 | Q | 37.7 | Very low | 35.7 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | | | | 72.1 | 128.6 | 65.5 | -74.5 | -152 | 22.5 | 0 | 0 | 114.1 | | |
| 706 | L | 35.1 | Very low | 35.3 | Very low | 158 Ų | 158 | 136.2 Ų | 136.2 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | | | cis | -133.8 | 157 | -5.4 | -58 | 92.9 | 0 | 0 | 0 | 108.4 | | |
| 707 | G | 40.1 | Very low | 35.5 | Very low | 70 Ų | 70 | 133.8 Ų | 133.8 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | | | | 140.4 | 160 | 74.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 708 | P | 40.7 | Very low | 35.2 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | | | trans | -121.7 | 146.2 | -145.6 | 38.7 | -28.1 | 0 | 0 | 0 | 117.5 | | |
| 709 | R | 33.7 | Very low | 34.9 | Very low | 244 Ų | 244 | 135.8 Ų | 135.8 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | | | trans | -167.3 | 130.1 | 140.8 | -125.9 | 170.3 | 154.8 | -125.2 | -5.4 | 114.8 | | |
| 710 | S | 32.3 | Very low | 34.4 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | trans | 38 | 110.3 | 149.5 | -163.4 | 0 | 0 | 0 | 0 | 119.3 | | |
| 711 | G | 33.2 | Very low | 34 | Very low | 66 Ų | 66 | 138.6 Ų | 138.6 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | | | cis | 169.7 | 152.3 | -2.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 712 | S | 33.5 | Very low | 34 | Very low | 107 Ų | 107 | 136 Ų | 136 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | trans | 40.8 | 129 | 162.2 | 61.9 | 0 | 0 | 0 | 0 | 121.6 | | |
| 713 | H | 34 | Very low | 34 | Very low | 186 Ų | 186 | 136.2 Ų | 136.2 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | | | cis | -162.7 | 137.5 | -20.9 | -115 | -65.3 | 0 | 0 | 0 | 107 | | |
| 714 | C | 26.6 | Very low | 33.7 | Very low | 131 Ų | 131 | 136 Ų | 136 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | | | trans | -81.1 | 135.9 | 177.4 | -52.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 715 | A | 32.4 | Very low | 33.6 | Very low | 100 Ų | 100 | 143.5 Ų | 143.5 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | | | trans | -179.8 | 107.6 | 137.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 716 | H | 29.8 | Very low | 33.2 | Very low | 178 Ų | 178 | 142 Ų | 142 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | | | trans | -143.7 | 117 | 141.2 | -166.4 | -62.6 | 0 | 0 | 0 | 106 | | |
| 717 | P | 38.8 | Very low | 32.9 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 62% | 0.617 | 80% | 0.802 | S | S | * | * | | | trans | -71.6 | 168.2 | 177.7 | 31.5 | -34.8 | 0 | 0 | 0 | 110.8 | | |
| 718 | E | 32.9 | Very low | 32.6 | Very low | 178 Ų | 178 | 145.7 Ų | 145.7 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | -63.4 | 131.7 | 178.4 | -64.9 | 84.2 | 167.7 | 0 | 0 | 112.2 | | |
| 719 | D | 33.4 | Very low | 32 | Very low | 150 Ų | 150 | 142 Ų | 142 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | | -161.4 | 162.2 | 119.5 | -124 | -35.3 | 0 | 0 | 0 | 113.9 | | |
| 720 | C | 29.8 | Very low | 32 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | | | trans | 45.3 | 69 | 167.4 | -64.1 | 0 | 0 | 0 | 0 | 119 | | |
| 721 | R | 31.4 | Very low | 32.3 | Very low | 245 Ų | 245 | 134.5 Ų | 134.5 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | | | trans | -96.2 | 97.2 | 172.8 | -169.3 | -168.2 | -144.4 | -152.6 | 8.7 | 113.7 | | |
| 722 | S | 31.8 | Very low | 32.2 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | | | trans | -145.4 | 90.8 | 172 | 50.5 | 0 | 0 | 0 | 0 | 115 | | |
| 723 | P | 37.4 | Very low | 32.1 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | | | trans | -92.3 | 104.9 | 173.5 | 33.7 | -29.9 | 0 | 0 | 0 | 112 | R725 | P723-R725 PolarHBondContact O-N 3.31Š|
| 724 | C | 28.8 | Very low | 32.1 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 94% | 0.939 | 77% | 0.772 | S | S | * | * | | | trans | -72.8 | 85.9 | 174.3 | -65.7 | 0 | 0 | 0 | 0 | 112 | | |
| 725 | R | 32 | Very low | 32.5 | Very low | 221 Ų | 221 | 140.4 Ų | 140.4 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | | | trans | -142.3 | 99 | 175.5 | -163.7 | 178.2 | -165.7 | -141 | 3.3 | 114.5 | P723 | P723-R725 PolarHBondContact O-N 3.31Š|
| 726 | T | 30.2 | Very low | 32.5 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | 72.8 | 148.2 | 150.2 | -51.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 727 | A | 28.6 | Very low | 32.6 | Very low | 84 Ų | 84 | 142.2 Ų | 142.2 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | | | trans | 73.8 | 90.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 728 | Y | 32.4 | Very low | 32.3 | Very low | 222 Ų | 222 | 144.1 Ų | 144.1 | 87% | 0.871 | 79% | 0.787 | S | S | * | * | | | trans | -95 | 73.1 | 156.3 | -90.4 | -74.8 | 0 | 0 | 0 | 111.3 | V730 | Y728-V730 HydrophobicContact CD1-CG2 3.89Š|
| 729 | A | 29.2 | Very low | 32.1 | Very low | 48 Ų | 48 | 141.2 Ų | 141.2 | 40% | 0.397 | 79% | 0.786 | S | S | . | * | | | trans | -100.7 | 95.4 | 165 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 730 | V | 34.5 | Very low | 32 | Very low | 114 Ų | 114 | 138 Ų | 138 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | | | trans | -116.9 | 139.6 | -173.2 | 178 | 0 | 0 | 0 | 0 | 111.1 | Y728 | Y728-V730 HydrophobicContact CD1-CG2 3.89Š|
| 731 | P | 36.8 | Very low | 32 | Very low | 97 Ų | 97 | 138.7 Ų | 138.7 | 63% | 0.63 | 80% | 0.795 | S | S | * | * | | | trans | -127.4 | 159.2 | -144.8 | 13.7 | 12.7 | 0 | 0 | 0 | 117.2 | | |
| 732 | F | 31.5 | Very low | 32 | Very low | 168 Ų | 168 | 130.9 Ų | 130.9 | 74% | 0.737 | 79% | 0.791 | S | S | * | * | | | trans | 57.8 | 132.4 | 143.4 | -84.2 | -102.1 | 0 | 0 | 0 | 122.6 | K734 | F732-K734 HydrophobicContact CD1-CD 4.36Å; F732-K734 HydrophobicContact CD1-CG 3.71Å; F732-K734 HydrophobicContact CE1-CD 4.43Å; F732-K734 HydrophobicContact CE1-CG 4.04Å |
| 733 | S | 32.8 | Very low | 32 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | | | trans | -132.6 | 142.1 | 136.1 | -80.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 734 | K | 32.3 | Very low | 32.3 | Very low | 172 Ų | 172 | 134 Ų | 134 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -115.9 | 144.8 | -176.7 | -65.8 | 176.7 | 178.9 | 162.5 | 0 | 112.3 | F732 | F732-K734 HydrophobicContact CD1-CD 4.36Å; F732-K734 HydrophobicContact CD1-CG 3.71Å; F732-K734 HydrophobicContact CE1-CD 4.43Å; F732-K734 HydrophobicContact CE1-CG 4.04Å |
| 735 | T | 35.5 | Very low | 32.8 | Very low | 145 Ų | 145 | 132.9 Ų | 132.9 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | | | trans | -142.1 | 145.8 | 142.5 | -30.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 736 | R | 33.4 | Very low | 32.7 | Very low | 246 Ų | 246 | 128.6 Ų | 128.6 | 93% | 0.928 | 78% | 0.777 | S | S | * | * | | | trans | -81.9 | 162.7 | 166.4 | -69.1 | 169.4 | 164.7 | 178.5 | -6.5 | 109 | | |
| 737 | G | 30.2 | Very low | 32.9 | Very low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | | | cis | 153.4 | -157.7 | 1.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 738 | S | 32.7 | Very low | 33.2 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 94% | 0.944 | 79% | 0.787 | S | S | * | * | | | trans | 85.5 | 163.3 | 179.9 | -152.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 739 | S | 29.1 | Very low | 33.6 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | trans | -133.5 | 149.6 | -158.9 | 56.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 740 | G | 32.5 | Very low | 33.7 | Very low | 82 Ų | 82 | 134 Ų | 134 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | trans | -155.2 | 121.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 741 | S | 29.1 | Very low | 33.5 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 92% | 0.923 | 80% | 0.8 | S | S | * | * | | | trans | -104.1 | 135.7 | -177.5 | 54.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 742 | G | 31 | Very low | 33.3 | Very low | 82 Ų | 82 | 136.8 Ų | 136.8 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | | | trans | -148.1 | 134.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 743 | Q | 32.5 | Very low | 33.2 | Very low | 184 Ų | 184 | 136.4 Ų | 136.4 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | trans | -148.2 | 178.2 | -173.9 | -147.7 | -158.2 | -40.4 | 0 | 0 | 108.9 | | |
| 744 | P | 44.1 | Very low | 33.2 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | | | | -95.5 | -144.9 | -102.1 | 37.7 | -20.3 | 0 | 0 | 0 | 112 | | |
| 745 | P | 38.9 | Very low | 33.1 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | | | | -142.6 | -173.2 | 57.1 | 39.4 | -17.3 | 0 | 0 | 0 | 116.4 | | |
| 746 | D | 30.3 | Very low | 33 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | | | trans | -64.7 | 158.4 | -171.4 | -45.9 | -96.3 | 0 | 0 | 0 | 116.8 | | |
| 747 | Q | 34.5 | Very low | 32.9 | Very low | 197 Ų | 197 | 131.5 Ų | 131.5 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | | | | -168.7 | 150.7 | 107.1 | -99.7 | 150.7 | 113.5 | 0 | 0 | 115.6 | | |
| 748 | V | 34.6 | Very low | 32.9 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | | | trans | -107.8 | 159 | 176.5 | 157.4 | 0 | 0 | 0 | 0 | 106.1 | | |
| 749 | P | 40.4 | Very low | 32.7 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | | | cis | -138.8 | 175.4 | 32.2 | 20.8 | 7.1 | 0 | 0 | 0 | 119.1 | | |
| 750 | E | 31.2 | Very low | 32.7 | Very low | 174 Ų | 174 | 135.4 Ų | 135.4 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | 6 | 133.6 | 139.6 | -51.8 | 159.5 | 109.9 | 0 | 0 | 120.1 | | |
| 751 | S | 30.8 | Very low | 32.9 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | | -176.3 | 133.5 | 122.4 | 31.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 752 | H | 31.3 | Very low | 33.2 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | trans | 38 | 128.4 | 144 | -66.3 | -89.6 | 0 | 0 | 0 | 123.5 | | |
| 753 | E | 29.2 | Very low | 33 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | | | trans | 37.8 | 126.8 | 130.5 | -61.5 | 166.8 | 96.2 | 0 | 0 | 119.2 | | |
| 754 | S | 32.8 | Very low | 32.8 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | | | | -163.2 | 144.4 | 68.9 | -64.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 755 | L | 31.4 | Very low | 32 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | trans | -68.5 | 141.1 | 162 | -78.9 | 163.6 | 0 | 0 | 0 | 110.8 | | |
| 756 | K | 33.7 | Very low | 31.5 | Very low | 199 Ų | 199 | 141 Ų | 141 | 87% | 0.865 | 76% | 0.761 | S | S | * | * | | | trans | -143.3 | 64.6 | 159 | -132.2 | 167.5 | -167.9 | 170.2 | 0 | 113.6 | L758 | K756-L758 PolarHBondContact O-N 2.9Š|
| 757 | T | 30.6 | Very low | 31.4 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 69% | 0.693 | 77% | 0.765 | S | S | * | * | | | trans | -47.6 | 131.2 | 153.1 | -45.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 758 | L | 30.7 | Very low | 31.5 | Very low | 160 Ų | 160 | 142 Ų | 142 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | | | trans | -156.8 | 134.1 | 152.1 | -109.6 | 175.3 | 0 | 0 | 0 | 110.5 | K756 | K756-L758 PolarHBondContact O-N 2.9Š|
| 759 | C | 28 | Very low | 31.4 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | | | trans | -87 | 136.3 | 174.7 | -53.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 760 | T | 29.2 | Very low | 31.2 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | trans | -162.1 | 128.7 | 144.7 | 10.5 | 0 | 0 | 0 | 0 | 112 | | |
| 761 | S | 37.2 | Very low | 31 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | | | trans | -81.5 | 141 | 143.7 | 176.1 | 0 | 0 | 0 | 0 | 106.7 | | |
| 762 | P | 34.5 | Very low | 31.1 | Very low | 96 Ų | 96 | 140.4 Ų | 140.4 | 62% | 0.623 | 76% | 0.762 | S | S | * | * | | | | -153.3 | 164.1 | 111.4 | 40.7 | -24.2 | 0 | 0 | 0 | 116.8 | | |
| 763 | L | 26.4 | Very low | 31.3 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | | | trans | 51.9 | 124.1 | 139.6 | -88.5 | 50.5 | 0 | 0 | 0 | 122.9 | | |
| 764 | Q | 29 | Very low | 31.5 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | | | | 42.6 | 112.4 | 119.4 | -60.2 | 176.9 | -17.1 | 0 | 0 | 119.9 | | |
| 765 | R | 28.4 | Very low | 31.7 | Very low | 231 Ų | 231 | 138.3 Ų | 138.3 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | | | | 159.2 | 154.4 | 119.7 | -90.8 | 170 | 173.6 | 140.5 | -3 | 110.5 | | |
| 766 | S | 27.1 | Very low | 31.5 | Very low | 79 Ų | 79 | 134.7 Ų | 134.7 | 55% | 0.552 | 76% | 0.757 | S | S | * | * | | | cis | -179.7 | 145.1 | -27.8 | 49 | 0 | 0 | 0 | 0 | 108.5 | | |
| 767 | H | 29.5 | Very low | 31.3 | Very low | 166 Ų | 166 | 129.8 Ų | 129.8 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | | | trans | 66.3 | 160.7 | 175.2 | -50 | -73.1 | 0 | 0 | 0 | 114 | | |
| 768 | E | 35 | Very low | 31.4 | Very low | 183 Ų | 183 | 133.4 Ų | 133.4 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | | | cis | -138.8 | 154.5 | 9.5 | -148.2 | 143.3 | 119 | 0 | 0 | 113.3 | | |
| 769 | E | 32.9 | Very low | 31.4 | Very low | 175 Ų | 175 | 130.6 Ų | 130.6 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | -84.5 | -168.9 | 168 | -118.3 | -170.1 | 72.6 | 0 | 0 | 109 | | |
| 770 | P | 36 | Very low | 31.5 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | | | cis | -137.6 | -170 | 6.5 | 32.9 | -8.8 | 0 | 0 | 0 | 116.1 | | |
| 771 | S | 28.1 | Very low | 31.6 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | | | trans | 100.2 | 116.7 | 142.4 | -62.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 772 | A | 31.9 | Very low | 31.4 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | | | trans | -84 | -172.5 | 155 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 773 | P | 37 | Very low | 31.5 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | | | cis | -140 | -166.4 | 10.3 | 43.3 | -22.3 | 0 | 0 | 0 | 116.6 | | |
| 774 | L | 32.8 | Very low | 32.4 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 82% | 0.817 | 75% | 0.754 | S | S | * | * | | | trans | -34.7 | 155.6 | 161.2 | -69.7 | 163.6 | 0 | 0 | 0 | 114.6 | | |
| 775 | P | 36.4 | Very low | 33 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | | | cis | -151.6 | 166.8 | 41.1 | 43.4 | -23.4 | 0 | 0 | 0 | 120.4 | | |
| 776 | A | 27.1 | Very low | 33.3 | Very low | 84 Ų | 84 | 132.8 Ų | 132.8 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | | | trans | 53.2 | 147.4 | 138.5 | 0 | 0 | 0 | 0 | 0 | 124.3 | | |
| 777 | S | 29 | Very low | 34.2 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | | | trans | 102.7 | 110.9 | 147.1 | -48.8 | 0 | 0 | 0 | 0 | 119.9 | | |
| 778 | Q | 33.6 | Very low | 34.8 | Very low | 189 Ų | 189 | 132.8 Ų | 132.8 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | | | trans | 68.3 | 153.2 | 141.2 | -59.5 | 173.9 | 68.8 | 0 | 0 | 119.6 | | |
| 779 | S | 30 | Very low | 34.9 | Very low | 100 Ų | 100 | 130.2 Ų | 130.2 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | | | cis | -170.7 | 166.2 | -31.2 | -168.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 780 | T | 30.5 | Very low | 35.5 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | | | trans | 85 | 95.9 | 145.1 | -49.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 781 | L | 31.1 | Very low | 35.9 | Very low | 147 Ų | 147 | 128.5 Ų | 128.5 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | | | trans | 64.6 | 168 | 136.1 | -51.5 | 177.6 | 0 | 0 | 0 | 119.4 | | |
| 782 | T | 32.8 | Very low | 36 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | | | cis | -155.3 | 127.8 | 15.8 | -29.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 783 | L | 37.6 | Very low | 36.2 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | | | trans | 55.1 | 162.5 | 148.3 | -87.1 | 72.6 | 0 | 0 | 0 | 125.9 | | |
| 784 | P | 45.1 | Very low | 36.1 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | -135 | -156 | -167.1 | 48 | -29.6 | 0 | 0 | 0 | 115.4 | | |
| 785 | E | 41 | Very low | 36.1 | Very low | 195 Ų | 195 | 137.9 Ų | 137.9 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | | | trans | -136.8 | -177.1 | 163.1 | -147.4 | 170.8 | -178.4 | 0 | 0 | 112.1 | | |
| 786 | E | 34.8 | Very low | 35.8 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | | | trans | -130.1 | -163.8 | -137.3 | -144.3 | -167 | 93 | 0 | 0 | 117.9 | | |
| 787 | V | 47.2 | Very low | 36 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | trans | 99.1 | 134.1 | 167.2 | -176.6 | 0 | 0 | 0 | 0 | 116.7 | | |
| 788 | P | 40.9 | Very low | 36 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | | | | -125.1 | 179.9 | -125.2 | 45 | -36.4 | 0 | 0 | 0 | 118.9 | | |
| 789 | T | 36.8 | Very low | 36.5 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | | | trans | -128.1 | 145.8 | 179.3 | -55.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 790 | P | 45.5 | Very low | 36.9 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | -65.7 | 153.7 | -177.9 | 24.9 | -35.5 | 0 | 0 | 0 | 114.7 | | |
| 791 | P | 44.5 | Very low | 37.3 | Very low | 121 Ų | 121 | 143 Ų | 143 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | | | trans | -88.5 | 152.3 | -162 | 34.1 | -37.2 | 0 | 0 | 0 | 115.4 | | |
| 792 | S | 30 | Very low | 37.7 | Very low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -120.1 | 141.7 | 155.8 | 74 | 0 | 0 | 0 | 0 | 109.4 | | |
| 793 | L | 37.5 | Very low | 37.7 | Very low | 172 Ų | 172 | 147.9 Ų | 147.9 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | | | trans | -125.7 | 153.9 | -179.6 | -89.4 | 167.3 | 0 | 0 | 0 | 112.2 | | |
| 794 | R | 33.5 | Very low | 37.8 | Very low | 208 Ų | 208 | 150.4 Ų | 150.4 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | | | trans | -140.9 | 141.7 | -166.7 | -87.7 | -178.9 | 168.3 | -172.6 | -0.8 | 111.3 | | |
| 795 | K | 32.9 | Very low | 37.2 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | | | trans | 57.9 | 133.3 | 151 | -60 | 173.2 | 176.4 | -171.6 | 0 | 118.3 | | |
| 796 | S | 29.5 | Very low | 36.9 | Very low | 102 Ų | 102 | 147 Ų | 147 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | | | | 164.5 | 169.5 | 90.7 | 61.1 | 0 | 0 | 0 | 0 | 114 | | |
| 797 | L | 31.2 | Very low | 36.9 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | | | trans | 70.7 | 145.1 | 160 | -65.7 | 164.3 | 0 | 0 | 0 | 119.5 | | |
| 798 | C | 30.9 | Very low | 36.3 | Very low | 123 Ų | 123 | 149.3 Ų | 149.3 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | | | trans | -113.8 | 155.4 | -174.8 | -47 | 0 | 0 | 0 | 0 | 111.2 | | |
| 799 | P | 43.4 | Very low | 35.7 | Very low | 118 Ų | 118 | 146.5 Ų | 146.5 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | | | trans | -115.9 | 130.9 | 153.3 | 34 | -23.4 | 0 | 0 | 0 | 112.2 | | |
| 800 | M | 38.7 | Very low | 35.5 | Very low | 179 Ų | 179 | 149.3 Ų | 149.3 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | | | trans | -128.6 | 122.5 | 170.5 | -98.5 | -77.7 | 113.2 | 0 | 0 | 109.6 | | |
| 801 | P | 37.8 | Very low | 34.8 | Very low | 110 Ų | 110 | 150.9 Ų | 150.9 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | | | trans | -139.1 | 166.6 | 152.5 | 41.2 | -28.1 | 0 | 0 | 0 | 112.3 | | |
| 802 | P | 39.7 | Very low | 34.1 | Very low | 125 Ų | 125 | 155.7 Ų | 155.7 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | | | | -126.3 | 171.8 | -62.6 | 35.2 | -20 | 0 | 0 | 0 | 112.4 | | |
| 803 | R | 33.4 | Very low | 34.2 | Very low | 242 Ų | 242 | 157.1 Ų | 157.1 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | | | trans | -60.3 | 149.5 | 179.2 | -62.7 | 171.9 | 174 | 162.4 | -4 | 113.7 | | |
| 804 | K | 39.1 | Very low | 33.9 | Very low | 210 Ų | 210 | 156 Ų | 156 | 91% | 0.913 | 79% | 0.787 | S | S | * | * | | | | -154.2 | 152.5 | 128.5 | -110 | 161.6 | -172.7 | 178.3 | 0 | 112.6 | | |
| 805 | S | 32.8 | Very low | 33.9 | Very low | 106 Ų | 106 | 153.5 Ų | 153.5 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | | | trans | -84.5 | 166.7 | -174.9 | 47.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 806 | V | 35.2 | Very low | 33.9 | Very low | 135 Ų | 135 | 153.4 Ų | 153.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | | -159.9 | 171.3 | 77.1 | 156.1 | 0 | 0 | 0 | 0 | 112 | | |
| 807 | Q | 33.9 | Very low | 34.2 | Very low | 163 Ų | 163 | 152.4 Ų | 152.4 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | -97.5 | 175.3 | -166.2 | -50.6 | 156.9 | -68.7 | 0 | 0 | 114.6 | | |
| 808 | K | 35.2 | Very low | 34.4 | Very low | 194 Ų | 194 | 153.5 Ų | 153.5 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | trans | 73.8 | 143.3 | 164.2 | -57.5 | 176.3 | 179.6 | 179.5 | 0 | 116.1 | | |
| 809 | G | 28.8 | Very low | 34.7 | Very low | 55 Ų | 55 | 156 Ų | 156 | 57% | 0.567 | 78% | 0.784 | S | S | * | * | | | cis | 123.4 | 130.7 | -11.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 810 | H | 31.1 | Very low | 34.3 | Very low | 190 Ų | 190 | 157.6 Ų | 157.6 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | | | trans | 67 | 148.6 | -175.9 | -34.7 | -75.5 | 0 | 0 | 0 | 112.1 | | |
| 811 | H | 32.1 | Very low | 34.1 | Very low | 152 Ų | 152 | 156.6 Ų | 156.6 | 70% | 0.704 | 78% | 0.781 | S | S | * | * | | | cis | -155.2 | 173.7 | 24.4 | 177.8 | -91.2 | 0 | 0 | 0 | 110.9 | | |
| 812 | W | 28.6 | Very low | 34 | Very low | 222 Ų | 222 | 156.3 Ų | 156.3 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | | | trans | -50.9 | 160.4 | 167.4 | -58.3 | 71.9 | 0 | 0 | 0 | 112 | | |
| 813 | Q | 32.5 | Very low | 33.9 | Very low | 144 Ų | 144 | 156.2 Ų | 156.2 | 67% | 0.673 | 78% | 0.781 | S | S | * | * | | | | -175.5 | 162.4 | 62.3 | -162.2 | 166.3 | -38.9 | 0 | 0 | 113.3 | | |
| 814 | E | 30.6 | Very low | 34 | Very low | 149 Ų | 149 | 152.6 Ų | 152.6 | 70% | 0.696 | 78% | 0.779 | S | S | * | * | | | trans | 43.2 | 121.1 | 157.7 | -84.4 | 170.1 | 107.9 | 0 | 0 | 124.7 | | |
| 815 | H | 34.2 | Very low | 34 | Very low | 155 Ų | 155 | 148 Ų | 148 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | | | | 48.5 | 126.5 | 125.2 | -80.1 | -107.8 | 0 | 0 | 0 | 123 | | |
| 816 | Q | 33.7 | Very low | 34.4 | Very low | 181 Ų | 181 | 149.9 Ų | 149.9 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | | | trans | 71.3 | 140.1 | 150.1 | -65.3 | 173.9 | 109.2 | 0 | 0 | 117.1 | | |
| 817 | A | 35.7 | Very low | 34.4 | Very low | 81 Ų | 81 | 148.6 Ų | 148.6 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | | | cis | -154.4 | 169.5 | -7.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 818 | E | 34.6 | Very low | 34.7 | Very low | 189 Ų | 189 | 146 Ų | 146 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | | | trans | 27.7 | 110 | 156.8 | -62.9 | 179.5 | 115.7 | 0 | 0 | 120.7 | | |
| 819 | H | 38.2 | Very low | 34.9 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 82% | 0.819 | 77% | 0.768 | S | S | * | * | | | | -152.3 | 163.8 | 122.5 | -154.7 | -99.7 | 0 | 0 | 0 | 112.3 | | |
| 820 | M | 34.3 | Very low | 35.4 | Very low | 151 Ų | 151 | 149.1 Ų | 149.1 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | | | trans | -66.5 | 141.3 | 177.3 | -56.7 | -76.2 | 91.8 | 0 | 0 | 112.8 | | |
| 821 | D | 35.5 | Very low | 35.6 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | | | | -159.5 | 171.8 | 103.3 | -132 | -43.2 | 0 | 0 | 0 | 113.6 | | |
| 822 | S | 34.5 | Very low | 35.7 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | -95.7 | 174.2 | -168.8 | -59.5 | 0 | 0 | 0 | 0 | 114 | | |
| 823 | P | 37.1 | Very low | 35.9 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | | | cis | -126.8 | 161.5 | -3.9 | 38.8 | -23.7 | 0 | 0 | 0 | 115.5 | | |
| 824 | L | 35.9 | Very low | 36 | Very low | 166 Ų | 166 | 136.7 Ų | 136.7 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 154.1 | 170 | -79.8 | 169.1 | 0 | 0 | 0 | 112.8 | | |
| 825 | P | 38.7 | Very low | 36.2 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 159.3 | -171 | 32.3 | -36.7 | 0 | 0 | 0 | 115.2 | | |
| 826 | V | 41.3 | Very low | 35.9 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 137 | -175.7 | 177.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 827 | S | 36 | Very low | 36 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | trans | -116.7 | 159.7 | 168.6 | -63.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 828 | P | 39.4 | Very low | 35.8 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | | -127.1 | 158.5 | -61.4 | 37 | -24.1 | 0 | 0 | 0 | 111.8 | R830 | P828-R830 PolarHBondContact O-N 2.86Š|
| 829 | P | 40.9 | Very low | 35.9 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | | | trans | -72 | 118.4 | 176.2 | 28.8 | -33.4 | 0 | 0 | 0 | 112.1 | T831 | P829-T831 PolarHBondContact O-N 2.99Å; P829-T831 VanDerWaalsContact O-N 3.12Å |
| 830 | R | 39.3 | Very low | 35.6 | Very low | 195 Ų | 195 | 133.8 Ų | 133.8 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | | | trans | -72 | 95.2 | 167.6 | -82 | -179.5 | 161.5 | 124.3 | -7.1 | 110.7 | P828 V832 | P828-R830 PolarHBondContact O-N 2.86Å; R830-V832 PolarHBondContact O-N 3.06Å |
| 831 | T | 33.8 | Very low | 35.7 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | | | trans | -85.4 | 85.3 | 162.1 | -55.6 | 0 | 0 | 0 | 0 | 109.3 | P424 P829 | P424-T831 VanDerWaalsContact CD-O 3.27Å; P424-T831 WeakPolarHBondContact CD-O 3.3Å; P424-T831 WeakPolarHBondContact CG-O 3.22Å; P829-T831 PolarHBondContact O-N 2.99Å; P829-T831 VanDerWaalsContact O-N 3.12Å |
| 832 | V | 34.5 | Very low | 35.4 | Very low | 55 Ų | 55 | 130.5 Ų | 130.5 | 33% | 0.333 | 74% | 0.743 | S | S | . | * | | | trans | -143.6 | 155.6 | 177.8 | -169.9 | 0 | 0 | 0 | 0 | 109.9 | W423 R830 | W423-V832 WeakPolarHBondContact O-CG1 3.02Å; R830-V832 PolarHBondContact O-N 3.06Å |
| 833 | V | 33.8 | Very low | 35.1 | Very low | 108 Ų | 108 | 131 Ų | 131 | 66% | 0.655 | 75% | 0.747 | S | S | * | * | | | trans | 77.2 | 72.4 | 176.7 | -162 | 0 | 0 | 0 | 0 | 114.7 | | |
| 834 | L | 35 | Very low | 35.2 | Very low | 170 Ų | 170 | 131 Ų | 131 | 89% | 0.89 | 75% | 0.747 | S | S | * | * | | | trans | -84.3 | 97.1 | 137 | -79.7 | 172.9 | 0 | 0 | 0 | 107.6 | | |
| 835 | T | 34.5 | Very low | 35 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | | | trans | -133.5 | 118.8 | 172.1 | -63.7 | 0 | 0 | 0 | 0 | 109.1 | P837 | T835-P837 WeakPolarHBondContact O-CD 3.42Š|
| 836 | R | 27.8 | Very low | 35 | Very low | 229 Ų | 229 | 132.4 Ų | 132.4 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | | | trans | -34.4 | 114.1 | -179.6 | -178.5 | -167.4 | -162.4 | 173.3 | 5.5 | 116.4 | | |
| 837 | P | 34.2 | Very low | 34.8 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | | | trans | -82.5 | 136.1 | 134.9 | 33.8 | -27.5 | 0 | 0 | 0 | 107.7 | T835 | T835-P837 WeakPolarHBondContact O-CD 3.42Š|
| 838 | Q | 32.4 | Very low | 34.9 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 66% | 0.659 | 74% | 0.735 | S | S | * | * | | | cis | 39.1 | 99.4 | 29.7 | -154.4 | -172.9 | 23.5 | 0 | 0 | 114.5 | Q840 | Q838-Q840 HydrophobicContact CG-CB 4.46Š|
| 839 | P | 36.5 | Very low | 34.9 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | trans | -113.7 | 101 | 132.5 | 32.6 | -26.5 | 0 | 0 | 0 | 109.5 | | |
| 840 | Q | 32.3 | Very low | 34.5 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | | | trans | -84.9 | 166.6 | 147.5 | -116.3 | -167.8 | -27.1 | 0 | 0 | 107.6 | Q838 | Q838-Q840 HydrophobicContact CG-CB 4.46Š|
| 841 | P | 36 | Very low | 34.4 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | | | trans | -75.8 | 146.6 | -145.2 | 30.6 | -38.4 | 0 | 0 | 0 | 114.1 | | |
| 842 | C | 29.6 | Very low | 34.3 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 87% | 0.872 | 74% | 0.735 | S | S | * | * | | | | -170.8 | 153.5 | 120.8 | -103.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 843 | S | 27.5 | Very low | 34.4 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | | | trans | -86.8 | 146.7 | 179.2 | 47 | 0 | 0 | 0 | 0 | 112.7 | | |
| 844 | P | 39.2 | Very low | 34.3 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | | | trans | -113.5 | 104 | 160.5 | 34 | -23.7 | 0 | 0 | 0 | 112 | | |
| 845 | Q | 31.6 | Very low | 34.2 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | | | trans | 7.2 | 117 | 153.1 | -53.3 | 179.7 | 17 | 0 | 0 | 119.4 | | |
| 846 | V | 39.3 | Very low | 34.4 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 94% | 0.939 | 75% | 0.746 | S | S | * | * | | | trans | -122.4 | 149.2 | 140.7 | -179.4 | 0 | 0 | 0 | 0 | 107.3 | | |
| 847 | K | 37.5 | Very low | 34.6 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 60% | 0.604 | 75% | 0.745 | S | S | * | * | | | trans | -121.6 | 123.5 | -151.8 | -76.8 | -177 | 178.2 | 177.6 | 0 | 115.4 | | |
| 848 | H | 37.2 | Very low | 34.4 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | | | trans | 62.5 | 167 | 157.2 | -45.2 | -55.7 | 0 | 0 | 0 | 117.6 | | |
| 849 | P | 40.3 | Very low | 34.5 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | | | cis | -102.7 | 149.1 | -18.7 | 11.8 | 10.9 | 0 | 0 | 0 | 112 | | |
| 850 | L | 32.8 | Very low | 34.2 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | | | | 83.2 | 135.6 | 57.6 | -116.8 | 178.2 | 0 | 0 | 0 | 114 | | |
| 851 | L | 37 | Very low | 34.3 | Very low | 138 Ų | 138 | 132 Ų | 132 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | | | trans | 74.6 | 140.5 | 175.3 | -46.5 | 174.5 | 0 | 0 | 0 | 115.4 | | |
| 852 | D | 32.3 | Very low | 34.3 | Very low | 125 Ų | 125 | 134 Ų | 134 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | | | cis | -167.9 | 169.5 | -16.1 | -119.1 | -8.4 | 0 | 0 | 0 | 113.7 | | |
| 853 | L | 36.1 | Very low | 34.7 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 64% | 0.644 | 76% | 0.755 | S | S | * | * | | | trans | 66.5 | 126.5 | 147.1 | -96.6 | 63 | 0 | 0 | 0 | 123.5 | | |
| 854 | F | 31.9 | Very low | 35.3 | Very low | 184 Ų | 184 | 136.4 Ų | 136.4 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | | | trans | 56.6 | 160.3 | 153.5 | -65.3 | -69.5 | 0 | 0 | 0 | 119.6 | | |
| 855 | N | 33.2 | Very low | 35.1 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 65% | 0.647 | 76% | 0.761 | S | S | * | * | | | cis | 156.5 | 167.2 | -24.2 | -179.3 | 31.1 | 0 | 0 | 0 | 106.2 | | |
| 856 | N | 38.2 | Very low | 35.6 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | 70.7 | 89 | 172.3 | -57 | -31.3 | 0 | 0 | 0 | 116.7 | | |
| 857 | N | 32.5 | Very low | 35.7 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | | 21.3 | 153.1 | 115.8 | -149.1 | 13.5 | 0 | 0 | 0 | 121.3 | | |
| 858 | S | 29.4 | Very low | 35.6 | Very low | 93 Ų | 93 | 133 Ų | 133 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | | | trans | 90.7 | 138.4 | 156.3 | -53.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 859 | S | 35.1 | Very low | 35.8 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | | | trans | 79.7 | 112.4 | 152.7 | -58.6 | 0 | 0 | 0 | 0 | 120.6 | | |
| 860 | S | 29.1 | Very low | 35.6 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | trans | -50.8 | 149.7 | 163.9 | 50.4 | 0 | 0 | 0 | 0 | 116.3 | | |
| 861 | S | 34.2 | Very low | 35.8 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | trans | -158 | 145 | 146.7 | -81.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 862 | I | 36.8 | Very low | 35.8 | Very low | 154 Ų | 154 | 129 Ų | 129 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | -93.2 | 134.9 | 177.7 | -62.3 | 169 | 0 | 0 | 0 | 109.2 | | |
| 863 | P | 36.8 | Very low | 36.1 | Very low | 122 Ų | 122 | 127 Ų | 127 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | | | trans | -90.7 | 104.6 | 176.3 | 33.5 | -31.5 | 0 | 0 | 0 | 112.4 | | |
| 864 | L | 40.1 | Very low | 36.3 | Very low | 171 Ų | 171 | 127.5 Ų | 127.5 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | | | trans | -144.4 | 149.1 | 165.9 | -87.2 | 175.8 | 0 | 0 | 0 | 110.6 | | |
| 865 | G | 35.9 | Very low | 36.6 | Very low | 80 Ų | 80 | 126 Ų | 126 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | trans | 112.8 | 129.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 866 | L | 42.2 | Very low | 36.9 | Very low | 160 Ų | 160 | 131.2 Ų | 131.2 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | | | trans | -120.6 | 145 | -175.9 | -97.3 | 161.2 | 0 | 0 | 0 | 111.3 | | |
| 867 | Q | 40.1 | Very low | 36.5 | Very low | 185 Ų | 185 | 130.9 Ų | 130.9 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | trans | 67.2 | 146.5 | 158 | -62.1 | -179.7 | 34.4 | 0 | 0 | 120.8 | | |
| 868 | G | 37.4 | Very low | 36.6 | Very low | 74 Ų | 74 | 132.4 Ų | 132.4 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | | | trans | 112.3 | 83.2 | 144.9 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 869 | P | 39.9 | Very low | 36.8 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | | | trans | -104.9 | 141.1 | 179.6 | 36.9 | -30.8 | 0 | 0 | 0 | 115 | | |
| 870 | S | 37.6 | Very low | 36.7 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | | | trans | -162.1 | 143.6 | 156.7 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 871 | G | 37 | Very low | 36.9 | Very low | 70 Ų | 70 | 133.7 Ų | 133.7 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | | | trans | 85.3 | 92.6 | 152.1 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 872 | V | 36.9 | Very low | 36.8 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 92% | 0.915 | 76% | 0.761 | S | S | * | * | | | | 32.3 | 125.2 | 105.3 | 178.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 873 | A | 37.5 | Very low | 36.6 | Very low | 83 Ų | 83 | 135.7 Ų | 135.7 | 69% | 0.686 | 77% | 0.768 | S | S | * | * | | | cis | -164.7 | 179.7 | 17.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 874 | V | 39.6 | Very low | 36.1 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | | | trans | 50.2 | 107.6 | 151.1 | 179.8 | 0 | 0 | 0 | 0 | 117.7 | | |
| 875 | H | 38.8 | Very low | 35.4 | Very low | 153 Ų | 153 | 131.4 Ų | 131.4 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | | | | 72.1 | 79.6 | 50.6 | -165.6 | -60.8 | 0 | 0 | 0 | 116.8 | | |
| 876 | R | 39.3 | Very low | 35.1 | Very low | 229 Ų | 229 | 136.5 Ų | 136.5 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | | | trans | -171.2 | 139.1 | 131.5 | -109.1 | 173.1 | -175.8 | -164.2 | -0.1 | 109.4 | | |
| 877 | N | 30.7 | Very low | 34.5 | Very low | 126 Ų | 126 | 137 Ų | 137 | 67% | 0.674 | 75% | 0.753 | S | S | * | * | | | cis | 62.9 | 132.3 | 47.2 | -99.5 | -16.7 | 0 | 0 | 0 | 113.1 | | |
| 878 | R | 35.3 | Very low | 34.1 | Very low | 185 Ų | 185 | 133.9 Ų | 133.9 | 70% | 0.698 | 75% | 0.749 | S | S | * | * | | | cis | -173.9 | 164.2 | 2.8 | -158.8 | -174 | -172.9 | -92.1 | 7 | 109 | E880 | R878-E880 IonicContact NH1-OE2 3.95Å; R878-E880 PolarHBondContact NH1-OE2 3.46Å; R878-E880 VanDerWaalsContact NH1-OE2 3.14Å |
| 879 | S | 33.4 | Very low | 33.8 | Very low | 78 Ų | 78 | 135.3 Ų | 135.3 | 55% | 0.545 | 74% | 0.742 | S | S | . | * | | | trans | 65.7 | 162.2 | 149.6 | -76.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 880 | E | 32.4 | Very low | 33.3 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 57% | 0.57 | 74% | 0.737 | S | S | * | * | | | cis | -170.6 | 165.2 | -32.7 | -124.8 | 167.2 | 93.2 | 0 | 0 | 109.3 | R878 | R878-E880 IonicContact NH1-OE2 3.95Å; R878-E880 PolarHBondContact NH1-OE2 3.46Å; R878-E880 VanDerWaalsContact NH1-OE2 3.14Å |
| 881 | K | 33.2 | Very low | 33.3 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 66% | 0.661 | 73% | 0.732 | S | S | * | * | | | trans | 80.2 | 144.9 | 145.2 | -87.3 | -177.6 | 172.7 | 58.9 | 0 | 123.2 | | |
| 882 | D | 31.3 | Very low | 33.1 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 66% | 0.658 | 73% | 0.731 | S | S | * | * | | | trans | 60.3 | 103.8 | 145.4 | -50.9 | -16.2 | 0 | 0 | 0 | 121.8 | | |
| 883 | Q | 33.5 | Very low | 33 | Very low | 198 Ų | 198 | 139.6 Ų | 139.6 | 93% | 0.925 | 73% | 0.726 | S | S | * | * | | | | -165.3 | 167.2 | 126.6 | -106.6 | 144.4 | 107.1 | 0 | 0 | 111.4 | | |
| 884 | C | 27 | Very low | 32.7 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 70% | 0.703 | 72% | 0.72 | S | S | * | * | | | trans | -126.7 | 168.4 | -173.1 | 89.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 885 | C | 25.2 | Very low | 32.5 | Very low | 99 Ų | 99 | 141 Ų | 141 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | | | trans | 80.8 | 126.8 | 146.6 | -51.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 886 | Q | 29.9 | Very low | 32.3 | Very low | 187 Ų | 187 | 137.3 Ų | 137.3 | 87% | 0.874 | 73% | 0.728 | S | S | * | * | | | trans | 80 | 114.4 | 161.9 | -54.9 | -177.9 | 22.5 | 0 | 0 | 119.4 | | |
| 887 | E | 28.2 | Very low | 32 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | | | trans | 40.3 | 137.1 | 134.6 | -141.2 | 161.1 | 137.6 | 0 | 0 | 120.9 | V889 | E887-V889 HydrophobicContact CG-CG2 3.81Š|
| 888 | P | 33.1 | Very low | 32.3 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | | | cis | -116.3 | 157.9 | 24.6 | 13.5 | 12 | 0 | 0 | 0 | 114.8 | | |
| 889 | V | 30.2 | Very low | 32.1 | Very low | 104 Ų | 104 | 130 Ų | 130 | 63% | 0.63 | 74% | 0.743 | S | S | * | * | | | | 75.3 | 91.9 | 54.8 | -177.6 | 0 | 0 | 0 | 0 | 114.8 | E887 | E887-V889 HydrophobicContact CG-CG2 3.81Š|
| 890 | L | 29.1 | Very low | 32.2 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | | | trans | 57.5 | 165.6 | 140.3 | -62.9 | -178.5 | 0 | 0 | 0 | 119.6 | L892 | L890-L892 HydrophobicContact CD2-CB 4.43Š|
| 891 | P | 37.7 | Very low | 32.4 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | | | cis | -116.1 | 160.6 | 4.2 | 44.9 | -31.8 | 0 | 0 | 0 | 112.9 | | |
| 892 | L | 33.6 | Very low | 32.5 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 71% | 0.707 | 77% | 0.771 | S | S | * | * | | | | 63.8 | 94.2 | 50.5 | -168.7 | 59.8 | 0 | 0 | 0 | 109.5 | L890 | L890-L892 HydrophobicContact CD2-CB 4.43Š|
| 893 | E | 33.8 | Very low | 32.5 | Very low | 173 Ų | 173 | 134.5 Ų | 134.5 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | | | | 172 | 160 | 95.8 | -81.7 | -152.3 | 126.3 | 0 | 0 | 108.3 | | |
| 894 | S | 32 | Very low | 32.6 | Very low | 80 Ų | 80 | 133.1 Ų | 133.1 | 56% | 0.559 | 77% | 0.772 | S | S | * | * | | | cis | -170 | 152.7 | -7.4 | 164.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 895 | N | 34.7 | Very low | 32.9 | Very low | 165 Ų | 165 | 136.3 Ų | 136.3 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | | | trans | 61 | 135.5 | 160.7 | -67.9 | -24.5 | 0 | 0 | 0 | 122.4 | | |
| 896 | G | 34.4 | Very low | 33.1 | Very low | 77 Ų | 77 | 137 Ų | 137 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | 132.7 | 78.3 | 142.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 897 | D | 33.7 | Very low | 33.1 | Very low | 173 Ų | 173 | 134.2 Ų | 134.2 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | | | trans | -36.7 | 133.5 | -176.5 | -63.2 | -41.5 | 0 | 0 | 0 | 117.2 | | |
| 898 | G | 36.9 | Very low | 33.4 | Very low | 76 Ų | 76 | 133.4 Ų | 133.4 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | | | trans | -84.7 | 146.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 899 | T | 30.3 | Very low | 33.3 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | | | trans | -60.9 | 141.8 | 160.9 | 50 | 0 | 0 | 0 | 0 | 111.4 | | |
| 900 | L | 35.6 | Very low | 33.6 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | | | trans | -162.3 | 151.6 | 130.8 | -112.1 | 174 | 0 | 0 | 0 | 112.7 | | |
| 901 | Q | 37 | Very low | 33.8 | Very low | 164 Ų | 164 | 133.5 Ų | 133.5 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | | | trans | -72.9 | 158.2 | 159.1 | -66.1 | 153.2 | -39.8 | 0 | 0 | 107.3 | | |
| 902 | D | 35.1 | Very low | 34 | Very low | 137 Ų | 137 | 134 Ų | 134 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | | | cis | -164.2 | 166.4 | 43.7 | -141.1 | -41.2 | 0 | 0 | 0 | 113.7 | | |
| 903 | S | 31.9 | Very low | 34.2 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | | | trans | -16.4 | 127.3 | 165.9 | -51.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 904 | L | 35.2 | Very low | 34.2 | Very low | 168 Ų | 168 | 131.3 Ų | 131.3 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | | | trans | -157 | 163.8 | 134.2 | -112.6 | 174.9 | 0 | 0 | 0 | 113.2 | | |
| 905 | Q | 32.6 | Very low | 34.6 | Very low | 172 Ų | 172 | 133.1 Ų | 133.1 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -94.4 | 136 | -159 | -57.5 | 158.3 | 3.6 | 0 | 0 | 113.8 | | |
| 906 | S | 31.2 | Very low | 34.7 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | | 174.5 | 141.4 | 122.2 | -81 | 0 | 0 | 0 | 0 | 115.2 | | |
| 907 | V | 30 | Very low | 34.9 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | 29.4 | 116.9 | 144.3 | -173.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 908 | D | 33.1 | Very low | 34.8 | Very low | 155 Ų | 155 | 130.6 Ų | 130.6 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | | | | -153.7 | 171.7 | 118.1 | -141.4 | -21.6 | 0 | 0 | 0 | 113.4 | | |
| 909 | I | 30.8 | Very low | 34.7 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | | | trans | -104.6 | 116.4 | -163.9 | -59.4 | 172.5 | 0 | 0 | 0 | 111.6 | | |
| 910 | A | 37.7 | Very low | 34.5 | Very low | 90 Ų | 90 | 131.1 Ų | 131.1 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | | | trans | -111 | 110.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | V912 | A910-V912 PolarHBondContact O-N 2.96Š|
| 911 | T | 33.8 | Very low | 34.5 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | -76.5 | 112.1 | 173.6 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 912 | V | 41.7 | Very low | 34.4 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | trans | -104.5 | 117.8 | 175.8 | -170.8 | 0 | 0 | 0 | 0 | 110.5 | A910 | A910-V912 PolarHBondContact O-N 2.96Š|
| 913 | N | 36.6 | Very low | 34.3 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | | | trans | -66.9 | 133.7 | -179.5 | -72.5 | -45.1 | 0 | 0 | 0 | 111.9 | T915 | N913-T915 PolarHBondContact O-N 3.48Å; N913-T915 VanDerWaalsContact O-N 3.09Å |
| 914 | S | 33.3 | Very low | 34.6 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | trans | -78.3 | 91.9 | 179.5 | -64.8 | 0 | 0 | 0 | 0 | 112.1 | A916 | S914-A916 PolarHBondContact O-N 3Š|
| 915 | T | 40.6 | Very low | 34.6 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | | | trans | -75.8 | 106 | 175.3 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | N913 I917 | N913-T915 PolarHBondContact O-N 3.48Å; N913-T915 VanDerWaalsContact O-N 3.09Å; T915-I917 HydrophobicContact CG2-CG1 4.43Å; T915-I917 PolarHBondContact O-N 3.08Å |
| 916 | A | 37.1 | Very low | 34.8 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -75 | 110.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | S914 T918 | S914-A916 PolarHBondContact O-N 3Å; A916-T918 PolarHBondContact O-N 3.01Å |
| 917 | I | 39.3 | Very low | 34.9 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | | | trans | -91.3 | 103 | 178.7 | -51 | -180 | 0 | 0 | 0 | 109.9 | T915 L919 | T915-I917 HydrophobicContact CG2-CG1 4.43Å; T915-I917 PolarHBondContact O-N 3.08Å; I917-L919 HydrophobicContact CG2-CD2 3.81Å; I917-L919 HydrophobicContact CG2-CG 3.92Å; I917-L919 PolarHBondContact O-N 3.34Å |
| 918 | T | 31.5 | Very low | 34.9 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | trans | -75.2 | 105.2 | 170.3 | -56.3 | 0 | 0 | 0 | 0 | 109.9 | A916 | A916-T918 PolarHBondContact O-N 3.01Š|
| 919 | L | 33.9 | Very low | 34.8 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | | | trans | -104.8 | 106.2 | 169.9 | -62.7 | -177.1 | 0 | 0 | 0 | 110.2 | I917 L921 | I917-L919 HydrophobicContact CG2-CD2 3.81Å; I917-L919 HydrophobicContact CG2-CG 3.92Å; I917-L919 PolarHBondContact O-N 3.34Å; L919-L921 HydrophobicContact CB-CG 4.27Å; L919-L921 PolarHBondContact O-N 2.8Å |
| 920 | A | 27.6 | Very low | 34.9 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | trans | -78.1 | 108.8 | 163 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 921 | L | 35 | Very low | 34.6 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | | | trans | -113.3 | 97.4 | 178 | -68.8 | 176.5 | 0 | 0 | 0 | 110.1 | L919 | L919-L921 HydrophobicContact CB-CG 4.27Å; L919-L921 PolarHBondContact O-N 2.8Å |
| 922 | T | 35.4 | Very low | 34.7 | Very low | 133 Ų | 133 | 138 Ų | 138 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | | | trans | -85.8 | 109.4 | 166.6 | 47 | 0 | 0 | 0 | 0 | 109.7 | | |
| 923 | S | 31.2 | Very low | 34.2 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | | | trans | 14 | 105.8 | 155.5 | -175.8 | 0 | 0 | 0 | 0 | 118.3 | | |
| 924 | E | 38.2 | Very low | 33.9 | Very low | 193 Ų | 193 | 133 Ų | 133 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | | | trans | -128.1 | 143.6 | 149.6 | -85.3 | -164.9 | 113.1 | 0 | 0 | 109.8 | | |
| 925 | E | 36.2 | Very low | 33.7 | Very low | 190 Ų | 190 | 131.6 Ų | 131.6 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | | | trans | -123.7 | 126.4 | 171.5 | -171.4 | 174.4 | 119.1 | 0 | 0 | 107.7 | | |
| 926 | P | 36.3 | Very low | 33.2 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -104.9 | 177.6 | -160.3 | 39.7 | -38 | 0 | 0 | 0 | 116.4 | | |
| 927 | E | 33.9 | Very low | 32.9 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 62% | 0.617 | 77% | 0.771 | S | S | * | * | | | trans | 90.7 | 144.6 | 167.8 | -53.1 | -155 | 91.1 | 0 | 0 | 117.2 | | |
| 928 | R | 31 | Very low | 32.7 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 58% | 0.581 | 77% | 0.774 | S | S | * | * | | | cis | -144.4 | 166.5 | 6.6 | -147.5 | 168.7 | -98.2 | 163.3 | 0.6 | 112.9 | | |
| 929 | S | 30.2 | Very low | 32.8 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | | | trans | -62.2 | 170.4 | 177.3 | 52.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 930 | Q | 32.1 | Very low | 33 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | | | cis | -162.5 | 176.3 | 35.9 | -165.7 | 164.5 | -2.4 | 0 | 0 | 114.1 | | |
| 931 | E | 32.9 | Very low | 33.2 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 71% | 0.71 | 78% | 0.775 | S | S | * | * | | | trans | -45.9 | 174.7 | 166.2 | -69.9 | 165.1 | 107.6 | 0 | 0 | 115 | | |
| 932 | W | 35.8 | Very low | 33.1 | Very low | 225 Ų | 225 | 133.9 Ų | 133.9 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | | | cis | -138.3 | 160.1 | 29.3 | -55.1 | 58.8 | 0 | 0 | 0 | 108.9 | | |
| 933 | G | 31.3 | Very low | 33.2 | Very low | 79 Ų | 79 | 133 Ų | 133 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | | | cis | 91.6 | 116.3 | 35.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 934 | G | 29 | Very low | 33.4 | Very low | 79 Ų | 79 | 131.5 Ų | 131.5 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | | | cis | 177.4 | 172.4 | -4.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 935 | G | 28.6 | Very low | 33.1 | Very low | 85 Ų | 85 | 126.3 Ų | 126.3 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | | | trans | 83 | 158.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 936 | S | 31.2 | Very low | 33 | Very low | 124 Ų | 124 | 125.4 Ų | 125.4 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | | | cis | -149.8 | -179.6 | -2.9 | -164.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 937 | Q | 31.5 | Very low | 33.4 | Very low | 154 Ų | 154 | 125.9 Ų | 125.9 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | trans | -69 | 177.3 | -178.5 | -51.5 | -179.8 | -2.6 | 0 | 0 | 111.9 | | |
| 938 | R | 34.2 | Very low | 33.7 | Very low | 199 Ų | 199 | 121.9 Ų | 121.9 | 75% | 0.751 | 76% | 0.758 | S | S | * | * | | | cis | -178.6 | 155.4 | 37.9 | -150.4 | 168.9 | -159.2 | -113.5 | 6.8 | 113 | | |
| 939 | T | 34.4 | Very low | 33.9 | Very low | 132 Ų | 132 | 119.4 Ų | 119.4 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | | | trans | 61.5 | 145.1 | 157.9 | 29.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 940 | G | 36.8 | Very low | 34.2 | Very low | 66 Ų | 66 | 117.4 Ų | 117.4 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | | | cis | 167.5 | 167.6 | -10.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 941 | S | 32.1 | Very low | 34.3 | Very low | 113 Ų | 113 | 114.6 Ų | 114.6 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | trans | 81.6 | 129.8 | 151.5 | -54.7 | 0 | 0 | 0 | 0 | 124.5 | | |
| 942 | S | 33.9 | Very low | 34.3 | Very low | 115 Ų | 115 | 112.3 Ų | 112.3 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | trans | 69.1 | 150.6 | 142.9 | 55 | 0 | 0 | 0 | 0 | 122.1 | | |
| 943 | S | 36.7 | Very low | 34.4 | Very low | 115 Ų | 115 | 108.5 Ų | 108.5 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | | | cis | -174.6 | 145.7 | -14.6 | 51.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 944 | G | 34.2 | Very low | 34.6 | Very low | 89 Ų | 89 | 112.7 Ų | 112.7 | 92% | 0.918 | 75% | 0.753 | S | S | * | * | | | trans | 74.2 | 158.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 945 | G | 32 | Very low | 35 | Very low | 84 Ų | 84 | 112.6 Ų | 112.6 | 87% | 0.866 | 75% | 0.745 | S | S | * | * | | | cis | 156.7 | 158.2 | -1.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 946 | H | 35.1 | Very low | 35.4 | Very low | 172 Ų | 172 | 114.2 Ų | 114.2 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | | | cis | -164.1 | 143.9 | -4.4 | -175.7 | -38.3 | 0 | 0 | 0 | 109.5 | | |
| 947 | V | 44 | Very low | 35.7 | Very low | 122 Ų | 122 | 113.5 Ų | 113.5 | 74% | 0.739 | 74% | 0.744 | S | S | * | * | | | trans | -108.7 | 144.2 | -175.9 | 171.7 | 0 | 0 | 0 | 0 | 113 | | |
| 948 | P | 40.6 | Very low | 35.9 | Very low | 48 Ų | 48 | 109 Ų | 109 | 31% | 0.312 | 74% | 0.739 | S | S | . | * | | | | -158.5 | -152.6 | 119.5 | 40.9 | -17.9 | 0 | 0 | 0 | 116.4 | R224 | R224-P948 HydrophobicContact CG-CG 3.82Å; R224-P948 VanDerWaalsContact NE-CG 3.33Å |
| 949 | T | 35.9 | Very low | 36.2 | Very low | 102 Ų | 102 | 108.7 Ų | 108.7 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | | | trans | -139.2 | 177.5 | -133.1 | -40.9 | 0 | 0 | 0 | 0 | 115.4 | R224 Q225 | R224-T949 CarbonylContact C-O 3.58Å; R224-T949 WeakPolarHBondContact CA-O 3.5Å; Q225-T949 PolarHBondContact N-O 2.75Å |
| 950 | G | 36.1 | Very low | 36 | Very low | 56 Ų | 56 | 113.6 Ų | 113.6 | 58% | 0.577 | 75% | 0.749 | S | S | * | * | | | trans | 149.7 | 144.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 951 | A | 34.9 | Very low | 35.7 | Very low | 96 Ų | 96 | 115.3 Ų | 115.3 | 79% | 0.793 | 75% | 0.751 | S | S | * | * | | | cis | -148.5 | -166.5 | -8 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 952 | S | 33 | Very low | 36.2 | Very low | 104 Ų | 104 | 115.2 Ų | 115.2 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | | | cis | -156.4 | -156.3 | 9.8 | 47 | 0 | 0 | 0 | 0 | 107.3 | | |
| 953 | L | 37.6 | Very low | 36 | Very low | 145 Ų | 145 | 115 Ų | 115 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | | | cis | -151.2 | -95.1 | 7 | -167.6 | 64.9 | 0 | 0 | 0 | 113.9 | | |
| 954 | E | 35.6 | Very low | 36 | Very low | 166 Ų | 166 | 115.3 Ų | 115.3 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | | | trans | -143 | 160.9 | -156.9 | -89.5 | 172.5 | 81.2 | 0 | 0 | 114.1 | | |
| 955 | A | 36.8 | Very low | 35.8 | Very low | 78 Ų | 78 | 116.9 Ų | 116.9 | 65% | 0.645 | 74% | 0.74 | S | S | * | * | | | cis | -158.7 | 174.3 | -0.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 956 | S | 36.5 | Very low | 36.2 | Very low | 119 Ų | 119 | 121.2 Ų | 121.2 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | | | trans | 76.6 | 103.8 | 170.4 | -50.2 | 0 | 0 | 0 | 0 | 116.7 | | |
| 957 | A | 37.5 | Very low | 36.2 | Very low | 108 Ų | 108 | 117.2 Ų | 117.2 | 89% | 0.893 | 73% | 0.729 | S | S | * | * | | | | 89 | 125.3 | 55.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 958 | G | 36.2 | Very low | 35.9 | Very low | 60 Ų | 60 | 118.8 Ų | 118.8 | 62% | 0.619 | 73% | 0.733 | S | S | * | * | | | cis | 179.5 | -171.2 | -3.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 959 | H | 39.5 | Very low | 36.1 | Very low | 193 Ų | 193 | 119.8 Ų | 119.8 | 89% | 0.894 | 75% | 0.752 | S | S | * | * | | | trans | 70.3 | 152.5 | 170.9 | -46.7 | -84.2 | 0 | 0 | 0 | 119.2 | | |
| 960 | R | 30.9 | Very low | 36.4 | Very low | 235 Ų | 235 | 120.7 Ų | 120.7 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | | | cis | -166 | 144.9 | -39 | -159 | -168.4 | -175.6 | -173.4 | 2.1 | 109.6 | | |
| 961 | S | 31.2 | Very low | 36.8 | Very low | 101 Ų | 101 | 126 Ų | 126 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | trans | -109.5 | -164.1 | 171.3 | -46.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 962 | P | 41.2 | Very low | 37.4 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | cis | -144.2 | -176.1 | -5.2 | 44.3 | -24.4 | 0 | 0 | 0 | 117.4 | | |
| 963 | S | 31.5 | Very low | 37.7 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | trans | 22.6 | 136.5 | 145.3 | 65 | 0 | 0 | 0 | 0 | 124.9 | | |
| 964 | S | 35.1 | Very low | 37.8 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | | | trans | -145 | 178.6 | 157.1 | 57.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 965 | T | 30.9 | Very low | 37.5 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | trans | -146.9 | -178.1 | -162.8 | 50.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 966 | H | 40 | Very low | 37.5 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | | | trans | 75.1 | 152.5 | 168.7 | -76.9 | -71.7 | 0 | 0 | 0 | 118.5 | | |
| 967 | S | 34.7 | Very low | 37.6 | Very low | 89 Ų | 89 | 138.5 Ų | 138.5 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | | | cis | -161.5 | 155.7 | -21 | -141.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 968 | D | 38.1 | Very low | 37.3 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | | | trans | 58 | 157 | 152.6 | -112 | -61.4 | 0 | 0 | 0 | 123 | | |
| 969 | G | 44.7 | Very low | 37.4 | Very low | 69 Ų | 69 | 142.7 Ų | 142.7 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | trans | 172.9 | -17.7 | 179 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 970 | N | 42.1 | Very low | 37.3 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 65% | 0.652 | 76% | 0.764 | S | S | * | * | | | trans | 41.9 | 103.5 | 157.2 | -173.4 | 15.3 | 0 | 0 | 0 | 121 | | |
| 971 | K | 44.9 | Very low | 37.7 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | | | | 176.1 | 123 | 121.5 | -96 | 149.1 | -162.2 | 163.4 | 0 | 117.6 | | |
| 972 | K | 46.5 | Very low | 38.1 | Very low | 174 Ų | 174 | 132.4 Ų | 132.4 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | | | trans | 65.8 | 125.4 | 133.3 | -73.2 | -175.6 | 177.4 | -178.7 | 0 | 123.1 | | |
| 973 | R | 40.6 | Very low | 38.5 | Very low | 232 Ų | 232 | 133.8 Ų | 133.8 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | | | trans | 75.5 | 158.7 | 150.8 | -63.1 | -172.6 | -146.2 | -125.8 | 11.4 | 118.9 | | |
| 974 | R | 39.1 | Very low | 39.4 | Very low | 215 Ų | 215 | 135.9 Ų | 135.9 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | | | cis | -174.7 | 129 | -38.7 | -160.4 | -169.4 | -170.9 | -158.2 | 4.1 | 108.3 | | |
| 975 | S | 30.3 | Very low | 40.2 | Very low | 95 Ų | 95 | 138.9 Ų | 138.9 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | | | trans | 55.8 | -177.8 | 153 | 63.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 976 | S | 35.4 | Very low | 40.9 | Very low | 95 Ų | 95 | 140.1 Ų | 140.1 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | | | trans | 76.8 | 92.8 | 154.6 | 20.1 | 0 | 0 | 0 | 0 | 119 | | |
| 977 | I | 39.7 | Very low | 41.2 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | | | | -8.9 | 154.5 | 123.3 | 32.1 | 173.6 | 0 | 0 | 0 | 117.7 | | |
| 978 | T | 31.6 | Very low | 41.6 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | 82.6 | 123.5 | 177.2 | 73.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 979 | S | 37.4 | Very low | 41.7 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | | | trans | -164.5 | 55.9 | 159.2 | -81.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 980 | A | 37.6 | Very low | 41.5 | Very low | 90 Ų | 90 | 144.2 Ų | 144.2 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | | | trans | -65 | 166.8 | 139.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 981 | L | 38.8 | Very low | 41.1 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 80% | 0.801 | 77% | 0.772 | S | S | * | * | | | trans | 82.5 | 38.4 | -172.7 | -48.6 | 173.4 | 0 | 0 | 0 | 116.7 | | |
| 982 | G | 39.1 | Very low | 41.1 | Very low | 71 Ų | 71 | 142.9 Ų | 142.9 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -77.6 | -23.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 983 | L | 49.5 | Very low | 41 | Very low | 141 Ų | 141 | 141.3 Ų | 141.3 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -103.4 | -7.3 | -167.9 | -66.8 | 175.4 | 0 | 0 | 0 | 115.7 | K985 | L983-K985 PolarHBondContact O-N 3.45Š|
| 984 | K | 50.8 | Low | 41.3 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 19.3 | -178.8 | -112 | -176.7 | 179.3 | -176.3 | 0 | 114.6 | | |
| 985 | K | 52.1 | Low | 41.5 | Very low | 184 Ų | 184 | 133.9 Ų | 133.9 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | -3.5 | 178.3 | -81.8 | -170 | 174.8 | -178.3 | 0 | 116.6 | L983 | L983-K985 PolarHBondContact O-N 3.45Š|
| 986 | L | 46 | Very low | 42.5 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -7.6 | 173.9 | -68.4 | 178 | 0 | 0 | 0 | 114 | | |
| 987 | F | 47.2 | Very low | 43 | Very low | 200 Ų | 200 | 141 Ų | 141 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 15.6 | 179 | -71.2 | -75.9 | 0 | 0 | 0 | 113.9 | | |
| 988 | S | 42.3 | Very low | 43.5 | Very low | 98 Ų | 98 | 142.3 Ų | 142.3 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -118.1 | 17.9 | -172.7 | -49.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 989 | A | 40.5 | Very low | 44 | Very low | 92 Ų | 92 | 139 Ų | 139 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -123.6 | 9.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 990 | L | 39.7 | Very low | 44.4 | Very low | 183 Ų | 183 | 139.4 Ų | 139.4 | 96% | 0.958 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -131.3 | 74.5 | 179.9 | -147.7 | 81.5 | 0 | 0 | 0 | 110.5 | | |
| 991 | G | 33.7 | Very low | 44.6 | Very low | 67 Ų | 67 | 141 Ų | 141 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | | | trans | -162.7 | 42.2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 992 | H | 45.1 | Very low | 44.9 | Very low | 195 Ų | 195 | 145.4 Ų | 145.4 | 90% | 0.903 | 81% | 0.805 | S | S | * | * | | | trans | -143.5 | 84.2 | 174 | -76.9 | -72.1 | 0 | 0 | 0 | 113.5 | | |
| 993 | T | 44.4 | Very low | 45 | Very low | 140 Ų | 140 | 147.6 Ų | 147.6 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | | | trans | -141.6 | 143.3 | 146.5 | 45.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 994 | P | 47.2 | Very low | 44.4 | Very low | 127 Ų | 127 | 152.1 Ų | 152.1 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 146.8 | -170 | -4.9 | 25.4 | 0 | 0 | 0 | 113.5 | | |
| 995 | Q | 42.9 | Very low | 44 | Very low | 164 Ų | 164 | 150.6 Ų | 150.6 | 77% | 0.766 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 129.7 | 169.4 | -178.4 | -161.5 | 57.4 | 0 | 0 | 110.9 | | |
| 996 | P | 51.5 | Low | 43.6 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 136.8 | 158.4 | 32.8 | -29.2 | 0 | 0 | 0 | 110.9 | | |
| 997 | R | 45.4 | Very low | 43.4 | Very low | 219 Ų | 219 | 148.2 Ų | 148.2 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -97 | 128.7 | -173.8 | -54.7 | 169.8 | -178.2 | 164.4 | -3.2 | 112.5 | | |
| 998 | L | 50.2 | Low | 43.2 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 97% | 0.969 | 81% | 0.813 | S | S | * | * | | | trans | -156.9 | 148.5 | 148.1 | -69.4 | -176.6 | 0 | 0 | 0 | 105.7 | | |
| 999 | G | 42.6 | Very low | 43.1 | Very low | 61 Ų | 61 | 148.5 Ų | 148.5 | 63% | 0.629 | 82% | 0.82 | S | S | * | * | | | cis | 163.2 | 125.3 | -0.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 1000 | P | 46.5 | Very low | 43.1 | Very low | 134 Ų | 134 | 152.5 Ų | 152.5 | 87% | 0.87 | 82% | 0.823 | S | S | * | * | | | trans | -80.6 | 145.3 | -162.9 | 31.1 | -35.6 | 0 | 0 | 0 | 113.4 | | |
| 1001 | S | 41.4 | Very low | 43 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | | | trans | -147.3 | 119.6 | 168.9 | -72.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1002 | R | 45.2 | Very low | 43.1 | Very low | 247 Ų | 247 | 152.4 Ų | 152.4 | 93% | 0.932 | 82% | 0.824 | S | S | * | * | | | trans | -76.4 | 144.5 | 161.5 | -67.3 | 174.2 | 168 | -170.4 | -3.1 | 108.8 | | |
| 1003 | S | 40 | Very low | 42.5 | Very low | 117 Ų | 117 | 147 Ų | 147 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | trans | -176.6 | 138.2 | 130.1 | 46.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1004 | Y | 37.1 | Very low | 42.2 | Very low | 235 Ų | 235 | 149 Ų | 149 | 92% | 0.922 | 82% | 0.817 | S | S | * | * | | | trans | -74.7 | 145.1 | 154.4 | -71.6 | -118 | 0 | 0 | 0 | 108.5 | | |
| 1005 | S | 43.3 | Very low | 41.9 | Very low | 122 Ų | 122 | 147 Ų | 147 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | | | | -162.2 | 163.2 | 117.1 | -159.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1006 | V | 43 | Very low | 41.6 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | | | trans | -103 | 166.3 | 176.8 | 177.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1007 | E | 42.9 | Very low | 41.1 | Very low | 163 Ų | 163 | 146.6 Ų | 146.6 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | | | trans | 97.9 | 155.7 | 145.6 | -127.8 | 169.3 | -105 | 0 | 0 | 120.4 | | |
| 1008 | Q | 42.8 | Very low | 40.6 | Very low | 146 Ų | 146 | 142 Ų | 142 | 68% | 0.682 | 81% | 0.805 | S | S | * | * | | | trans | 83.9 | 98.1 | 159.6 | -63.7 | -165 | 13.2 | 0 | 0 | 122.5 | | |
| 1009 | L | 40 | Very low | 40 | Very low | 159 Ų | 159 | 139 Ų | 139 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | | 95.9 | 134.3 | 126.5 | -62 | 169.2 | 0 | 0 | 0 | 120.6 | | |
| 1010 | Q | 40.2 | Very low | 40.1 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -88.2 | 167.7 | 161.8 | -63.3 | -179.1 | -13.1 | 0 | 0 | 109.9 | | |
| 1011 | P | 37.9 | Very low | 39.9 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | | -131.1 | 176.5 | 113.1 | 13.4 | 7.4 | 0 | 0 | 0 | 114 | | |
| 1012 | S | 35.4 | Very low | 39.9 | Very low | 115 Ų | 115 | 144 Ų | 144 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -99 | 176.4 | -168.8 | -160.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1013 | A | 33 | Very low | 40.2 | Very low | 81 Ų | 81 | 138.4 Ų | 138.4 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | | | trans | -56.7 | 154 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1014 | L | 37.5 | Very low | 40.3 | Very low | 182 Ų | 182 | 141.5 Ų | 141.5 | 95% | 0.953 | 79% | 0.788 | S | S | * | * | | | | -158.2 | 169.7 | 100.6 | -98.3 | 163.9 | 0 | 0 | 0 | 111.2 | | |
| 1015 | A | 40.6 | Very low | 40.4 | Very low | 86 Ų | 86 | 140.9 Ų | 140.9 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | trans | -107.5 | -175.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1016 | P | 36.4 | Very low | 40.5 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | | | cis | -136.8 | 162.6 | -1.5 | 37.6 | -19 | 0 | 0 | 0 | 116.6 | | |
| 1017 | Q | 41.2 | Very low | 40.5 | Very low | 171 Ų | 171 | 139 Ų | 139 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | | | | 176.8 | 143.4 | 112.7 | -94.9 | 176.7 | 77.7 | 0 | 0 | 114.5 | | |
| 1018 | T | 34.7 | Very low | 40.5 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | 35.4 | 84.6 | 152.9 | 59.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 1019 | S | 38.7 | Very low | 40.3 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | | | | 174.6 | 126 | 115.2 | 42.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1020 | T | 44 | Very low | 40.8 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | | | trans | -143.6 | 171.1 | 179.7 | 58.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1021 | P | 42.3 | Very low | 40.7 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | | | cis | -117.9 | 141.4 | 10.5 | 15.3 | 9.9 | 0 | 0 | 0 | 114.8 | | |
| 1022 | K | 41.5 | Very low | 40.7 | Very low | 189 Ų | 189 | 134.1 Ų | 134.1 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | | 72 | 105.1 | 77.1 | -70.5 | -176.8 | 175 | 176.3 | 0 | 115.8 | | |
| 1023 | V | 51.3 | Low | 40.9 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | | | trans | -88.1 | 170.8 | 160.4 | -84.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1024 | K | 42 | Very low | 41.1 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 79% | 0.787 | 78% | 0.776 | S | S | * | * | | | trans | 75 | 149.2 | 179.8 | -56 | 160.7 | -178.5 | 170.6 | 0 | 111.8 | | |
| 1025 | R | 40.8 | Very low | 41.3 | Very low | 222 Ų | 222 | 138.5 Ų | 138.5 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | | | cis | -145.5 | 158 | 18.9 | -158.8 | 92 | 172.4 | -169.4 | 3.6 | 109.6 | | |
| 1026 | A | 44.5 | Very low | 41.1 | Very low | 90 Ų | 90 | 139.5 Ų | 139.5 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | | | trans | -66.6 | 150.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1027 | P | 42.2 | Very low | 41.2 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | | -152.5 | -179.1 | 101.4 | 40.5 | -23.3 | 0 | 0 | 0 | 116.3 | | |
| 1028 | S | 43.1 | Very low | 41.1 | Very low | 95 Ų | 95 | 135.5 Ų | 135.5 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | | | trans | 64.1 | 119.8 | 150 | 60.3 | 0 | 0 | 0 | 0 | 120.8 | Q1030 | S1028-Q1030 PolarHBondContact O-N 3.47Š|
| 1029 | L | 38.5 | Very low | 41.4 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 61% | 0.607 | 77% | 0.767 | S | S | * | * | | | trans | -56.1 | 123.4 | 147.8 | -69.8 | -178.9 | 0 | 0 | 0 | 110.8 | D437 | D437-L1029 WeakPolarHBondContact OD1-CD1 3.44Å; D437-L1029 WeakPolarHBondContact OD1-CG 3.25Å |
| 1030 | Q | 50.2 | Low | 41.8 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 77% | 0.771 | 76% | 0.764 | S | S | * | * | | | trans | -160.3 | 132.4 | 151.4 | -121.3 | 142.6 | 108.1 | 0 | 0 | 113.9 | S1028 | S1028-Q1030 PolarHBondContact O-N 3.47Š|
| 1031 | T | 39.3 | Very low | 41.7 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | | | trans | 47.6 | 105.9 | 158.6 | 42.5 | 0 | 0 | 0 | 0 | 119.3 | H1033 | T1031-H1033 PolarHBondContact O-N 3.19Š|
| 1032 | L | 37.3 | Very low | 41.8 | Very low | 171 Ų | 171 | 149.4 Ų | 149.4 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | | | trans | -44.7 | 128.9 | 150.6 | -64.3 | 163.2 | 0 | 0 | 0 | 111.3 | | |
| 1033 | H | 39.9 | Very low | 41.7 | Very low | 180 Ų | 180 | 151.6 Ų | 151.6 | 83% | 0.833 | 78% | 0.782 | S | S | * | * | | | trans | -130.3 | 117.8 | 156.3 | -118.5 | -104.8 | 0 | 0 | 0 | 110 | T1031 | T1031-H1033 PolarHBondContact O-N 3.19Š|
| 1034 | L | 38 | Very low | 41.3 | Very low | 158 Ų | 158 | 150.4 Ų | 150.4 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | trans | -103.5 | 110.2 | -169.1 | -159.8 | 85.2 | 0 | 0 | 0 | 109.7 | | |
| 1035 | V | 40.9 | Very low | 41.2 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | | | trans | -133 | 134.9 | 168.1 | -175.5 | 0 | 0 | 0 | 0 | 109 | | |
| 1036 | S | 36 | Very low | 41.3 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | | | trans | -136.2 | 133.9 | 178.1 | -50.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1037 | S | 39.6 | Very low | 41.2 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | trans | -134.6 | 93 | 160.2 | 41.1 | 0 | 0 | 0 | 0 | 106.9 | | |
| 1038 | S | 38.7 | Very low | 41.6 | Very low | 86 Ų | 86 | 150.1 Ų | 150.1 | 60% | 0.601 | 79% | 0.786 | S | S | * | * | | | | 65.7 | 120.4 | 83.3 | 73.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1039 | H | 41.7 | Very low | 41.4 | Very low | 170 Ų | 170 | 150.6 Ų | 150.6 | 79% | 0.787 | 78% | 0.782 | S | S | * | * | | | | -165.1 | 163.9 | 107.2 | -90.9 | -50.6 | 0 | 0 | 0 | 111.5 | | |
| 1040 | Q | 45.1 | Very low | 41.5 | Very low | 171 Ų | 171 | 151.4 Ų | 151.4 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | trans | 47.4 | 105.9 | 162 | -64.5 | 170.7 | 8.6 | 0 | 0 | 118.4 | | |
| 1041 | H | 43.5 | Very low | 41.1 | Very low | 187 Ų | 187 | 151.7 Ų | 151.7 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | | | | -154.6 | 161.3 | 108.5 | -99.8 | -75.4 | 0 | 0 | 0 | 109.4 | | |
| 1042 | R | 43.1 | Very low | 41.3 | Very low | 241 Ų | 241 | 149.8 Ų | 149.8 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | | | trans | -68.6 | 140 | -154.3 | -62.4 | 175.9 | -173.4 | 173.3 | 2.3 | 114.1 | | |
| 1043 | R | 39.6 | Very low | 41.6 | Very low | 234 Ų | 234 | 148.3 Ų | 148.3 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | | | trans | -70 | 136.7 | 156.6 | -71.1 | 175.5 | 172.3 | 165.1 | -4.8 | 109 | | |
| 1044 | A | 43.3 | Very low | 42 | Very low | 106 Ų | 106 | 146.6 Ų | 146.6 | 88% | 0.876 | 77% | 0.767 | S | S | * | * | | | trans | -121 | 115.2 | 155 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 1045 | T | 40.5 | Very low | 41.9 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | | | trans | -104.9 | 118.9 | -173 | 45.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1046 | S | 43.4 | Very low | 41.8 | Very low | 87 Ų | 87 | 139.2 Ų | 139.2 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | | | trans | -153.3 | 102 | 150.9 | -173.2 | 0 | 0 | 0 | 0 | 111.2 | Q1048 | S1046-Q1048 VanDerWaalsContact C-N 3.29Å; S1046-Q1048 PolarHBondContact OG-N 3.02Å |
| 1047 | F | 40.4 | Very low | 42.1 | Very low | 217 Ų | 217 | 144.9 Ų | 144.9 | 95% | 0.952 | 77% | 0.767 | S | S | * | * | | | trans | -99.3 | 39.6 | 161.1 | -70.2 | -76.4 | 0 | 0 | 0 | 109.9 | | |
| 1048 | Q | 50.8 | Low | 42.4 | Very low | 174 Ų | 174 | 142.4 Ų | 142.4 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | | | trans | -140.9 | 58.7 | -175 | -65.9 | -170.5 | 6.6 | 0 | 0 | 112.7 | S1046 | S1046-Q1048 VanDerWaalsContact C-N 3.29Å; S1046-Q1048 PolarHBondContact OG-N 3.02Å |
| 1049 | N | 39.5 | Very low | 42.8 | Very low | 106 Ų | 106 | 144 Ų | 144 | 57% | 0.567 | 76% | 0.761 | S | S | * | * | | | trans | -155.3 | 14.4 | 161.4 | -135 | -26.7 | 0 | 0 | 0 | 116.8 | S1052 | N1049-S1052 PolarHBondContact O-N 2.82Å; N1049-S1052 VanDerWaalsContact OD1-CB 3.32Å; N1049-S1052 WeakPolarHBondContact OD1-CB 3.35Å; N1049-S1052 PolarHBondContact OD1-OG 3.03Å |
| 1050 | L | 41.9 | Very low | 43.1 | Very low | 133 Ų | 133 | 145.3 Ų | 145.3 | 70% | 0.696 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -78.5 | -17.6 | -179.1 | -67.2 | -179 | 0 | 0 | 0 | 114.2 | S1052 L1053 | L1050-S1052 VanDerWaalsContact C-N 3.25Å; L1050-S1052 PolarHBondContact O-N 3.25Å; L1050-L1053 HydrophobicContact CD2-CD1 4.24Å; L1050-L1053 PolarHBondContact O-N 2.83Å |
| 1051 | H | 41.2 | Very low | 43.3 | Very low | 170 Ų | 170 | 140.2 Ų | 140.2 | 79% | 0.787 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -64.8 | -30.5 | 172.2 | -72.1 | -81.3 | 0 | 0 | 0 | 112.4 | L1053 L1054 | H1051-L1053 VanDerWaalsContact C-N 3.25Å; H1051-L1053 PolarHBondContact O-N 3.34Å; H1051-L1054 PolarHBondContact O-N 3.27Å; H1051-L1054 VanDerWaalsContact O-N 3.17Å |
| 1052 | S | 43.8 | Very low | 43.8 | Very low | 85 Ų | 85 | 134.6 Ų | 134.6 | 59% | 0.594 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -70.8 | -18.3 | 177.2 | -49.4 | 0 | 0 | 0 | 0 | 113.7 | N1049 L1050 | N1049-S1052 PolarHBondContact O-N 2.82Å; N1049-S1052 VanDerWaalsContact OD1-CB 3.32Å; N1049-S1052 WeakPolarHBondContact OD1-CB 3.35Å; N1049-S1052 PolarHBondContact OD1-OG 3.03Å; L1050-S1052 VanDerWaalsContact C-N 3.25Å; L1050-S1052 PolarHBondContact O-N 3.25Å |
| 1053 | L | 42.9 | Very low | 44.3 | Very low | 140 Ų | 140 | 129.5 Ų | 129.5 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -95.1 | -1.6 | 173.8 | -76 | 167.9 | 0 | 0 | 0 | 113.3 | L1050 H1051 | L1050-L1053 HydrophobicContact CD2-CD1 4.24Å; L1050-L1053 PolarHBondContact O-N 2.83Å; H1051-L1053 VanDerWaalsContact C-N 3.25Å; H1051-L1053 PolarHBondContact O-N 3.34Å |
| 1054 | L | 48.7 | Very low | 44.6 | Very low | 145 Ų | 145 | 128.3 Ų | 128.3 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -101.8 | -0.8 | 174.8 | -80.3 | 158.1 | 0 | 0 | 0 | 113 | H1051 | H1051-L1054 PolarHBondContact O-N 3.27Å; H1051-L1054 VanDerWaalsContact O-N 3.17Å |
| 1055 | G | 36.1 | Very low | 45 | Very low | 67 Ų | 67 | 129.5 Ų | 129.5 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -97.5 | -5.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1056 | G | 38.6 | Very low | 45.8 | Very low | 68 Ų | 68 | 130.7 Ų | 130.7 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | | | trans | -99.4 | 107.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G1058 | G1056-G1058 PolarHBondContact O-N 2.69Š|
| 1057 | K | 41.2 | Very low | 46.1 | Very low | 225 Ų | 225 | 135.4 Ų | 135.4 | 98% | 0.978 | 72% | 0.721 | S | S | * | * | | | trans | -68.8 | 110 | 172 | -68.9 | 174.8 | 179.8 | 174.6 | 0 | 110 | | |
| 1058 | G | 47.2 | Very low | 46 | Very low | 58 Ų | 58 | 128.6 Ų | 128.6 | 60% | 0.598 | 71% | 0.712 | S | S | * | * | | | trans | -164.1 | 115.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | G1056 R1060 | G1056-G1058 PolarHBondContact O-N 2.69Å; G1058-R1060 PolarHBondContact O-N 2.88Å; G1058-R1060 VanDerWaalsContact O-N 3.11Å |
| 1059 | D | 46.1 | Very low | 45.7 | Very low | 119 Ų | 119 | 126 Ų | 126 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | | | trans | -79 | 100 | -169.3 | -164.4 | -22.2 | 0 | 0 | 0 | 111.8 | S1061 S1062 | D1059-S1061 PolarHBondContact O-N 2.86Å; D1059-S1061 VanDerWaalsContact OD1-CB 3.24Å; D1059-S1061 WeakPolarHBondContact OD1-CB 3.48Å; D1059-S1061 PolarHBondContact OD1-N 3.08Å; D1059-S1061 PolarHBondContact OD1-OG 2.97Å; D1059-S1061 PolarHBondContact OD2-OG 2.76Å; D1059-S1062 PolarHBondContact O-N 3.39Å; D1059-S1062 PolarHBondContact O-OG 3.05Å |
| 1060 | R | 48.8 | Very low | 45.6 | Very low | 197 Ų | 197 | 124 Ų | 124 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -1.5 | -179.1 | -63.2 | -179.6 | 115.1 | 138.1 | 1.7 | 113.8 | G1058 S1062 | G1058-R1060 PolarHBondContact O-N 2.88Å; G1058-R1060 VanDerWaalsContact O-N 3.11Å; R1060-S1062 VanDerWaalsContact C-N 3.27Å |
| 1061 | S | 48.2 | Very low | 45.4 | Very low | 64 Ų | 64 | 125.4 Ų | 125.4 | 45% | 0.448 | 73% | 0.726 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.1 | -29.8 | 169.6 | 66.7 | 0 | 0 | 0 | 0 | 112.4 | D1059 L1063 Y1064 L1065 | D1059-S1061 PolarHBondContact O-N 2.86Å; D1059-S1061 VanDerWaalsContact OD1-CB 3.24Å; D1059-S1061 WeakPolarHBondContact OD1-CB 3.48Å; D1059-S1061 PolarHBondContact OD1-N 3.08Å; D1059-S1061 PolarHBondContact OD1-OG 2.97Å; D1059-S1061 PolarHBondContact OD2-OG 2.76Å; S1061-L1063 PolarHBondContact O-N 3.33Å; S1061-Y1064 PolarHBondContact O-N 2.89Å; S1061-L1065 PolarHBondContact O-N 2.99Å |
| 1062 | S | 54.5 | Low | 45.4 | Very low | 69 Ų | 69 | 123.2 Ų | 123.2 | 48% | 0.483 | 73% | 0.73 | S | S | . | * | G | 310 helix | trans | -54.1 | -34 | 175.1 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | D1059 R1060 Y1064 L1065 | D1059-S1062 PolarHBondContact O-N 3.39Å; D1059-S1062 PolarHBondContact O-OG 3.05Å; R1060-S1062 VanDerWaalsContact C-N 3.27Å; S1062-Y1064 PolarHBondContact O-N 2.74Å; S1062-Y1064 VanDerWaalsContact O-N 3.11Å; S1062-L1065 PolarHBondContact O-N 3.25Å; S1062-L1065 VanDerWaalsContact O-N 3.07Å |
| 1063 | L | 53.1 | Low | 45 | Very low | 135 Ų | 135 | 125.4 Ų | 125.4 | 71% | 0.707 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -71.6 | -2 | 179.1 | -63.8 | 175.8 | 0 | 0 | 0 | 114.3 | S1061 | S1061-L1063 PolarHBondContact O-N 3.33Š|
| 1064 | Y | 46.3 | Very low | 44.8 | Very low | 209 Ų | 209 | 122 Ų | 122 | 82% | 0.82 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -118.3 | 0.4 | 171 | -67.9 | -84.2 | 0 | 0 | 0 | 113.1 | S1061 S1062 | S1061-Y1064 PolarHBondContact O-N 2.89Å; S1062-Y1064 PolarHBondContact O-N 2.74Å; S1062-Y1064 VanDerWaalsContact O-N 3.11Å |
| 1065 | L | 51.2 | Low | 44.3 | Very low | 131 Ų | 131 | 121 Ų | 121 | 69% | 0.686 | 75% | 0.746 | S | S | * | * | | | trans | -88.2 | 107.5 | 168.7 | -79.2 | 162.6 | 0 | 0 | 0 | 108.5 | S1061 S1062 E1067 | S1061-L1065 PolarHBondContact O-N 2.99Å; S1062-L1065 PolarHBondContact O-N 3.25Å; S1062-L1065 VanDerWaalsContact O-N 3.07Å; L1065-E1067 PolarHBondContact O-N 3.41Å; L1065-E1067 VanDerWaalsContact O-N 3.09Å |
| 1066 | V | 58.4 | Low | 44.2 | Very low | 145 Ų | 145 | 123.3 Ų | 123.3 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | | | trans | -72.4 | 102.4 | 169 | 176.4 | 0 | 0 | 0 | 0 | 107.7 | G1068 | V1066-G1068 PolarHBondContact O-N 2.88Š|
| 1067 | E | 50.2 | Low | 44.1 | Very low | 187 Ų | 187 | 130.4 Ų | 130.4 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | | | trans | -63 | 126.6 | 175.8 | -168 | 164.4 | -139.9 | 0 | 0 | 110.1 | L1065 | L1065-E1067 PolarHBondContact O-N 3.41Å; L1065-E1067 VanDerWaalsContact O-N 3.09Å |
| 1068 | G | 37.8 | Very low | 44.1 | Very low | 73 Ų | 73 | 125 Ų | 125 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | | | trans | -131.5 | 121.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1066 | V1066-G1068 PolarHBondContact O-N 2.88Š|
| 1069 | S | 44.5 | Very low | 43.5 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | | | trans | -161.7 | 159.4 | 173.7 | 59.9 | 0 | 0 | 0 | 0 | 111 | | |
| 1070 | G | 38.1 | Very low | 43.4 | Very low | 65 Ų | 65 | 130.9 Ų | 130.9 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | | | trans | 85.8 | 68 | 152.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1071 | D | 35.8 | Very low | 42.8 | Very low | 163 Ų | 163 | 126.1 Ų | 126.1 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | | | trans | -3 | 126.9 | 149.6 | -50.5 | -62.2 | 0 | 0 | 0 | 119.2 | | |
| 1072 | S | 41.1 | Very low | 42.4 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | | | trans | -161.2 | 148.6 | 142.4 | 25.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1073 | S | 36.2 | Very low | 42 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | | | trans | -86.1 | 140.2 | -169.7 | 47.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1074 | G | 39.3 | Very low | 41.2 | Very low | 70 Ų | 70 | 137.4 Ų | 137.4 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | | | trans | 161.7 | 129.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1075 | P | 37.7 | Very low | 41.1 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | | | trans | -83.2 | 154.8 | 177.9 | 33 | -34.3 | 0 | 0 | 0 | 113 | | |
| 1076 | S | 34 | Very low | 40.6 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | 87.5 | 106.1 | 165.9 | -39.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1077 | R | 37.2 | Very low | 40 | Very low | 218 Ų | 218 | 132.9 Ų | 132.9 | 82% | 0.823 | 80% | 0.797 | S | S | * | * | | | | -164.7 | 159.6 | 123.4 | -106.9 | -166.9 | 170.2 | -143.4 | -8.1 | 111.8 | N479 | N479-R1077 PolarHBondContact OD1-NH2 2.84Š|
| 1078 | P | 39.8 | Very low | 39.8 | Very low | 112 Ų | 112 | 125.3 Ų | 125.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | trans | -105.9 | 163.1 | -156.1 | 39.9 | -37.9 | 0 | 0 | 0 | 117.1 | | |
| 1079 | A | 35 | Very low | 40.4 | Very low | 103 Ų | 103 | 127.6 Ų | 127.6 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | | | trans | 30 | 102.6 | 147.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1080 | K | 44.6 | Very low | 40.7 | Very low | 197 Ų | 197 | 128.3 Ų | 128.3 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 120.9 | 167.9 | -159.3 | 172.4 | -174 | 178.2 | 0 | 109.1 | | |
| 1081 | A | 35.7 | Very low | 41.2 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 134.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1082 | F | 40.8 | Very low | 41.5 | Very low | 195 Ų | 195 | 125 Ų | 125 | 86% | 0.855 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 131.5 | 179.2 | -64.8 | -83.3 | 0 | 0 | 0 | 111.1 | | |
| 1083 | P | 45 | Very low | 41.5 | Very low | 110 Ų | 110 | 120.3 Ų | 120.3 | 71% | 0.714 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 154.8 | 163.3 | 30.9 | -34.3 | 0 | 0 | 0 | 109.3 | R1085 | P1083-R1085 PolarHBondContact O-N 3.11Š|
| 1084 | H | 37.5 | Very low | 41.7 | Very low | 199 Ų | 199 | 118 Ų | 118 | 92% | 0.921 | 69% | 0.685 | S | S | * | * | | | trans | -49.4 | 106.9 | -178.4 | -68 | -80.5 | 0 | 0 | 0 | 111.6 | A1086 | H1084-A1086 PolarHBondContact O-N 3Š|
| 1085 | R | 42.9 | Very low | 42.1 | Very low | 153 Ų | 153 | 118.1 Ų | 118.1 | 58% | 0.577 | 67% | 0.673 | S | S | * | * | | | trans | -68.1 | 98.7 | -178.9 | -167.7 | 176.4 | -173.2 | -159.7 | -7.8 | 108.6 | P1083 L1087 S1088 D1091 | P1083-R1085 PolarHBondContact O-N 3.11Å; R1085-L1087 PolarHBondContact O-N 2.95Å; R1085-S1088 PolarHBondContact NE-OG 3.32Å; R1085-S1088 PolarHBondContact NH2-OG 3.35Å; R1085-D1091 VanDerWaalsContact CD-OD2 3.26Å; R1085-D1091 WeakPolarHBondContact CD-OD2 3.44Å; R1085-D1091 IonicContact CZ-OD1 2.69Å; R1085-D1091 IonicContact CZ-OD2 3.64Å; R1085-D1091 IonicContact NE-OD1 3.57Å; R1085-D1091 IonicContact NE-OD2 2.61Å; R1085-D1091 PolarHBondContact NE-OD2 3.32Å; R1085-D1091 IonicContact NH1-OD1 3.17Å; R1085-D1091 PolarHBondContact NH1-OD1 3.02Å; R1085-D1091 IonicContact NH1-OD2 2.68Å; R1085-D1091 IonicContact NH2-OD1 3.6Å; R1085-D1091 PolarHBondContact NH2-OD1 2.88Å; R1085-D1091 IonicContact NH2-OD2 2.99Å |
| 1086 | A | 41.8 | Very low | 42.4 | Very low | 86 Ų | 86 | 118.1 Ų | 118.1 | 71% | 0.711 | 68% | 0.675 | S | S | * | * | | | trans | -55.8 | 127.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | H1084 S1088 | H1084-A1086 PolarHBondContact O-N 3Å; A1086-S1088 PolarHBondContact O-N 3.25Å |
| 1087 | L | 46.3 | Very low | 43.3 | Very low | 151 Ų | 151 | 118.8 Ų | 118.8 | 79% | 0.791 | 67% | 0.669 | S | S | * | * | | | trans | -42.9 | 105.9 | -172.9 | -63.9 | 171.8 | 0 | 0 | 0 | 110 | R1085 D1091 | R1085-L1087 PolarHBondContact O-N 2.95Å; L1087-D1091 HydrophobicContact CD2-CB 4.35Å |
| 1088 | S | 44.6 | Very low | 44.1 | Very low | 29 Ų | 29 | 113.2 Ų | 113.2 | 20% | 0.203 | 67% | 0.67 | C | S | . | * | | | trans | -80 | 167.4 | -175.8 | 81.4 | 0 | 0 | 0 | 0 | 109.4 | R1085 A1086 E1090 D1091 V1092 | R1085-S1088 PolarHBondContact NE-OG 3.32Å; R1085-S1088 PolarHBondContact NH2-OG 3.35Å; A1086-S1088 PolarHBondContact O-N 3.25Å; S1088-E1090 WeakPolarHBondContact CB-OE2 3.24Å; S1088-E1090 PolarHBondContact O-N 2.85Å; S1088-E1090 PolarHBondContact OG-OE2 2.61Å; S1088-D1091 PolarHBondContact N-OD2 2.91Å; S1088-D1091 PolarHBondContact O-N 2.9Å; S1088-V1092 PolarHBondContact O-N 2.93Å |
| 1089 | V | 51.7 | Low | 45.3 | Very low | 121 Ų | 121 | 111.9 Ų | 111.9 | 73% | 0.733 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -20.3 | -176.8 | -176 | 0 | 0 | 0 | 0 | 111 | V1092 | V1089-V1092 CarbonylContact O-C 3.38Å; V1089-V1092 VanDerWaalsContact O-O 3.08Å |
| 1090 | E | 48.9 | Very low | 46.9 | Very low | 133 Ų | 133 | 111.7 Ų | 111.7 | 62% | 0.621 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -20.8 | 177.6 | -49.1 | 70.2 | -148.3 | 0 | 0 | 113.3 | S1088 V1092 | S1088-E1090 WeakPolarHBondContact CB-OE2 3.24Å; S1088-E1090 PolarHBondContact O-N 2.85Å; S1088-E1090 PolarHBondContact OG-OE2 2.61Å; E1090-V1092 VanDerWaalsContact C-N 3.3Å |
| 1091 | D | 49.5 | Very low | 48.6 | Very low | 55 Ų | 55 | 102.7 Ų | 102.7 | 29% | 0.294 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.5 | -30 | 167.4 | -69.9 | -47.9 | 0 | 0 | 0 | 111 | R1085 L1087 S1088 G1093 | R1085-D1091 VanDerWaalsContact CD-OD2 3.26Å; R1085-D1091 WeakPolarHBondContact CD-OD2 3.44Å; R1085-D1091 IonicContact CZ-OD1 2.69Å; R1085-D1091 IonicContact CZ-OD2 3.64Å; R1085-D1091 IonicContact NE-OD1 3.57Å; R1085-D1091 IonicContact NE-OD2 2.61Å; R1085-D1091 PolarHBondContact NE-OD2 3.32Å; R1085-D1091 IonicContact NH1-OD1 3.17Å; R1085-D1091 PolarHBondContact NH1-OD1 3.02Å; R1085-D1091 IonicContact NH1-OD2 2.68Å; R1085-D1091 IonicContact NH2-OD1 3.6Å; R1085-D1091 PolarHBondContact NH2-OD1 2.88Å; R1085-D1091 IonicContact NH2-OD2 2.99Å; L1087-D1091 HydrophobicContact CD2-CB 4.35Å; S1088-D1091 PolarHBondContact N-OD2 2.91Å; S1088-D1091 PolarHBondContact O-N 2.9Å; D1091-G1093 PolarHBondContact O-N 3.16Å |
| 1092 | V | 43.1 | Very low | 51.2 | Low | 103 Ų | 103 | 98.6 Ų | 98.6 | 62% | 0.624 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -74 | 66.4 | 160 | -170.1 | 0 | 0 | 0 | 0 | 108.2 | S1088 V1089 E1090 A1094 | S1088-V1092 PolarHBondContact O-N 2.93Å; V1089-V1092 CarbonylContact O-C 3.38Å; V1089-V1092 VanDerWaalsContact O-O 3.08Å; E1090-V1092 VanDerWaalsContact C-N 3.3Å; V1092-A1094 PolarHBondContact O-N 2.99Å |
| 1093 | G | 40.5 | Very low | 53.6 | Low | 26 Ų | 26 | 95.2 Ų | 95.2 | 27% | 0.268 | 55% | 0.549 | S | S | . | . | | | trans | -44.6 | 105.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | D1091 | D1091-G1093 PolarHBondContact O-N 3.16Š|
| 1094 | A | 39.4 | Very low | 55.9 | Low | 82 Ų | 82 | 92.9 Ų | 92.9 | 68% | 0.678 | 53% | 0.533 | S | S | * | . | | | trans | -64.8 | 126.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | V1092 S1096 | V1092-A1094 PolarHBondContact O-N 2.99Å; A1094-S1096 PolarHBondContact O-N 2.94Å |
| 1095 | P | 47.6 | Very low | 58.6 | Low | 73 Ų | 73 | 87 Ų | 87 | 47% | 0.474 | 51% | 0.511 | S | S | . | . | | | trans | -60.1 | 117.5 | 178.1 | 27.2 | -34.5 | 0 | 0 | 0 | 107.4 | L1097 L1153 | P1095-L1097 CarbonylContact C-O 3.46Å; P1095-L1097 CarbonylContact O-C 3.58Å; P1095-L1097 WeakPolarHBondContact O-CA 3.49Å; P1095-L1097 PolarHBondContact O-N 3.02Å; P1095-L1153 HydrophobicContact CB-CD2 3.86Å |
| 1096 | S | 45.1 | Very low | 61 | Low | 122 Ų | 122 | 84.3 Ų | 84.3 | 85% | 0.853 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -61.6 | -19.6 | -161.3 | 52.2 | 0 | 0 | 0 | 0 | 114.1 | A1094 | A1094-S1096 PolarHBondContact O-N 2.94Š|
| 1097 | L | 51.8 | Low | 63.4 | Low | 129 Ų | 129 | 84.9 Ų | 84.9 | 68% | 0.675 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -124.4 | 147.8 | 141.6 | -72.5 | 87.5 | 0 | 0 | 0 | 108.6 | P1095 R1099 | P1095-L1097 CarbonylContact C-O 3.46Å; P1095-L1097 CarbonylContact O-C 3.58Å; P1095-L1097 WeakPolarHBondContact O-CA 3.49Å; P1095-L1097 PolarHBondContact O-N 3.02Å; L1097-R1099 PolarHBondContact O-N 3.34Å |
| 1098 | A | 53.6 | Low | 65.6 | Low | 102 Ų | 102 | 79.5 Ų | 79.5 | 84% | 0.843 | 47% | 0.469 | S | S | * | . | | | trans | -69.2 | 70.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1099 | R | 65.8 | Low | 67.8 | Low | 84 Ų | 84 | 84.7 Ų | 84.7 | 32% | 0.317 | 50% | 0.503 | S | S | . | . | | | trans | -97.4 | 129.6 | -174.5 | 67.9 | -176 | -177.4 | 102.5 | -6.8 | 111.5 | L1097 V1101 | L1097-R1099 PolarHBondContact O-N 3.34Å; R1099-V1101 HydrophobicContact CG-CG1 4.12Å; R1099-V1101 PolarHBondContact O-N 2.88Å |
| 1100 | T | 69.2 | Low | 69.6 | Low | 99 Ų | 99 | 83.2 Ų | 83.2 | 61% | 0.607 | 49% | 0.491 | S | S | * | . | | | trans | -68.4 | 110.2 | 167.1 | -55.5 | 0 | 0 | 0 | 0 | 108.7 | G1102 | T1100-G1102 VanDerWaalsContact C-N 3.33Å; T1100-G1102 WeakPolarHBondContact CG2-O 3.4Å |
| 1101 | V | 80.5 | Confident | 71.4 | Confident | 8 Ų | 8 | 78.8 Ų | 78.8 | 5% | 0.048 | 48% | 0.481 | C | S | . | . | | | trans | -83.9 | -11.7 | 176.2 | -58.5 | 0 | 0 | 0 | 0 | 113.2 | R1099 L1117 Q1118 L1153 Y1154 L1157 | R1099-V1101 HydrophobicContact CG-CG1 4.12Å; R1099-V1101 PolarHBondContact O-N 2.88Å; V1101-L1117 CarbonylContact O-C 3.53Å; V1101-L1117 WeakPolarHBondContact O-CA 3.46Å; V1101-Q1118 PolarHBondContact O-N 2.81Å; V1101-L1153 HydrophobicContact CG1-CB 4.02Å; V1101-L1153 HydrophobicContact CG1-CD1 4.23Å; V1101-L1153 HydrophobicContact CG1-CD2 4.06Å; V1101-L1153 HydrophobicContact CG1-CG 4.34Å; V1101-L1153 HydrophobicContact CG2-CB 4.26Å; V1101-L1153 VanDerWaalsContact CG2-O 3.3Å; V1101-L1153 WeakPolarHBondContact CG2-O 3.25Å; V1101-Y1154 HydrophobicContact CB-CD1 4.35Å; V1101-Y1154 HydrophobicContact CB-CE1 3.83Å; V1101-Y1154 HydrophobicContact CG2-CD1 3.66Å; V1101-Y1154 HydrophobicContact CG2-CE1 3.67Å; V1101-Y1154 HydrophobicContact CG2-CG 4.41Å; V1101-L1157 HydrophobicContact CG2-CD1 4.21Å |
| 1102 | G | 89.4 | Confident | 73.5 | Confident | 11 Ų | 11 | 76.4 Ų | 76.4 | 11% | 0.113 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.3 | -179.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1100 Q1116 | T1100-G1102 VanDerWaalsContact C-N 3.33Å; T1100-G1102 WeakPolarHBondContact CG2-O 3.4Å; G1102-Q1116 CarbonylContact C-O 3.5Å; G1102-Q1116 WeakPolarHBondContact CA-O 3.42Å |
| 1103 | R | 91.7 | Very high | 75.9 | Confident | 123 Ų | 123 | 72 Ų | 72 | 46% | 0.464 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 158.7 | 171.9 | 68.4 | -173.7 | -174 | -67.3 | -9.7 | 111.1 | L1115 Q1116 | R1103-L1115 WeakPolarHBondContact O-CA 3.47Å; R1103-Q1116 PolarHBondContact N-O 3.48Å; R1103-Q1116 PolarHBondContact O-N 2.81Å |
| 1104 | V | 93.5 | Very high | 78.4 | Confident | 62 Ų | 62 | 72.7 Ų | 72.7 | 38% | 0.376 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 133.9 | 162.7 | -171.8 | 0 | 0 | 0 | 0 | 107.9 | V1107 L1115 L1157 | V1104-V1107 HydrophobicContact CG1-CG2 3.78Å; V1104-L1115 HydrophobicContact CB-CD2 4.32Å; V1104-L1115 HydrophobicContact CG1-CD2 4.41Å; V1104-L1115 HydrophobicContact CG2-CD2 3.82Å; V1104-L1157 HydrophobicContact CG2-CD2 3.99Å |
| 1105 | V | 93.2 | Very high | 81.1 | Confident | 74 Ų | 74 | 68.8 Ų | 68.8 | 45% | 0.448 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -50.7 | 176.2 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | Q1114 Q1116 | V1105-Q1114 HydrophobicContact CB-CB 4.38Å; V1105-Q1114 HydrophobicContact CB-CG 4.44Å; V1105-Q1114 PolarHBondContact N-O 2.81Å; V1105-Q1116 HydrophobicContact CG2-CB 3.7Å |
| 1106 | E | 93.4 | Very high | 83.3 | Confident | 97 Ų | 97 | 67.8 Ų | 67.8 | 45% | 0.453 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 152.7 | -179.9 | -172.4 | 167.6 | 172.1 | 0 | 0 | 110.4 | F1108 S1113 Q1114 | E1106-F1108 HydrophobicContact CB-CE1 4.47Å; E1106-F1108 HydrophobicContact CB-CZ 4.37Å; E1106-F1108 HydrophobicContact CG-CD1 4.08Å; E1106-F1108 HydrophobicContact CG-CE1 3.9Å; E1106-F1108 HydrophobicContact CG-CZ 4.29Å; E1106-F1108 WeakPolarHBondContact OE1-CD1 3.39Å; E1106-F1108 VanDerWaalsContact OE1-CE1 3.32Å; E1106-F1108 WeakPolarHBondContact OE1-CE1 3.31Å; E1106-F1108 WeakPolarHBondContact OE2-CE1 3.48Å; E1106-S1113 CarbonylContact O-C 3.58Å; E1106-S1113 WeakPolarHBondContact O-CA 3.45Å; E1106-Q1114 HydrophobicContact CB-CB 4.32Å; E1106-Q1114 PolarHBondContact N-O 3.42Å; E1106-Q1114 PolarHBondContact O-N 3.46Å |
| 1107 | V | 93.7 | Very high | 85.6 | Confident | 98 Ų | 98 | 62 Ų | 62 | 59% | 0.594 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 113.3 | 169.7 | -179.2 | 0 | 0 | 0 | 0 | 107.4 | V1104 | V1104-V1107 HydrophobicContact CG1-CG2 3.78Å |
| 1108 | F | 92.2 | Very high | 87.3 | Confident | 38 Ų | 38 | 60 Ų | 60 | 17% | 0.167 | 34% | 0.342 | C | S | . | . | | | trans | -83.2 | 152.6 | -172.6 | -66.2 | -66.9 | 0 | 0 | 0 | 111.5 | E1106 D1110 G1111 T1112 Q1114 R1193 | E1106-F1108 HydrophobicContact CB-CE1 4.47Å; E1106-F1108 HydrophobicContact CB-CZ 4.37Å; E1106-F1108 HydrophobicContact CG-CD1 4.08Å; E1106-F1108 HydrophobicContact CG-CE1 3.9Å; E1106-F1108 HydrophobicContact CG-CZ 4.29Å; E1106-F1108 WeakPolarHBondContact OE1-CD1 3.39Å; E1106-F1108 VanDerWaalsContact OE1-CE1 3.32Å; E1106-F1108 WeakPolarHBondContact OE1-CE1 3.31Å; E1106-F1108 WeakPolarHBondContact OE2-CE1 3.48Å; F1108-D1110 WeakPolarHBondContact CB-OD1 3.2Å; F1108-D1110 PolarHBondContact O-N 3.32Å; F1108-D1110 VanDerWaalsContact O-N 3.15Å; F1108-G1111 PolarHBondContact O-N 3.25Å; F1108-T1112 VanDerWaalsContact CD2-OG1 3.32Å; F1108-T1112 WeakPolarHBondContact CD2-OG1 3.45Å; F1108-T1112 PolarHBondContact N-O 3.33Å; F1108-Q1114 HydrophobicContact CE2-CB 3.92Å; F1108-Q1114 HydrophobicContact CZ-CB 4.4Å; F1108-R1193 HydrophobicContact CD2-CG 4.24Å; F1108-R1193 VanDerWaalsContact CD2-NE 3.33Å; F1108-R1193 HydrophobicContact CE2-CG 4.03Å |
| 1109 | P | 90 | Very high | 89 | Confident | 139 Ų | 139 | 58.1 Ų | 58.1 | 90% | 0.903 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -12.3 | -178.8 | 27.6 | -35.8 | 0 | 0 | 0 | 114.2 | G1111 | P1109-G1111 PolarHBondContact O-N 3.34Š|
| 1110 | D | 89.4 | Confident | 89.7 | Confident | 90 Ų | 90 | 54.9 Ų | 54.9 | 48% | 0.481 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -7 | 171.1 | 62.2 | 10.5 | 0 | 0 | 0 | 113.6 | F1108 T1112 R1193 | F1108-D1110 WeakPolarHBondContact CB-OD1 3.2Å; F1108-D1110 PolarHBondContact O-N 3.32Å; F1108-D1110 VanDerWaalsContact O-N 3.15Å; D1110-T1112 VanDerWaalsContact OD1-CB 3.28Å; D1110-T1112 WeakPolarHBondContact OD1-CB 3.46Å; D1110-T1112 WeakPolarHBondContact OD1-CG2 3.42Å; D1110-T1112 PolarHBondContact OD1-N 3.49Å; D1110-T1112 PolarHBondContact OD1-OG1 2.96Å; D1110-T1112 PolarHBondContact OD2-OG1 2.52Å; D1110-R1193 IonicContact OD1-NH2 3.88Å; D1110-R1193 IonicContact OD2-CZ 2.97Å; D1110-R1193 IonicContact OD2-NE 3.34Å; D1110-R1193 IonicContact OD2-NH2 2.82Å; D1110-R1193 PolarHBondContact OD2-NH2 3.21Å |
| 1111 | G | 88 | Confident | 90 | Very high | 40 Ų | 40 | 56.7 Ų | 56.7 | 41% | 0.412 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 89.3 | 5.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | F1108 P1109 | F1108-G1111 PolarHBondContact O-N 3.25Å; P1109-G1111 PolarHBondContact O-N 3.34Å |
| 1112 | T | 92.1 | Very high | 89.4 | Confident | 5 Ų | 5 | 65.6 Ų | 65.6 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 164.4 | 170.2 | 68.6 | 0 | 0 | 0 | 0 | 111.1 | F1108 D1110 L1165 R1193 V1194 L1195 | F1108-T1112 VanDerWaalsContact CD2-OG1 3.32Å; F1108-T1112 WeakPolarHBondContact CD2-OG1 3.45Å; F1108-T1112 PolarHBondContact N-O 3.33Å; D1110-T1112 VanDerWaalsContact OD1-CB 3.28Å; D1110-T1112 WeakPolarHBondContact OD1-CB 3.46Å; D1110-T1112 WeakPolarHBondContact OD1-CG2 3.42Å; D1110-T1112 PolarHBondContact OD1-N 3.49Å; D1110-T1112 PolarHBondContact OD1-OG1 2.96Å; D1110-T1112 PolarHBondContact OD2-OG1 2.52Å; T1112-L1165 HydrophobicContact CG2-CD1 3.55Å; T1112-R1193 PolarHBondContact OG1-NE 3.41Å; T1112-R1193 PolarHBondContact OG1-NH2 3.39Å; T1112-V1194 CarbonylContact C-O 3.59Å; T1112-V1194 WeakPolarHBondContact CA-O 3.4Å; T1112-L1195 HydrophobicContact CG2-CB 4.1Å; T1112-L1195 HydrophobicContact CG2-CD1 3.97Å |
| 1113 | S | 93.1 | Very high | 88.8 | Confident | 10 Ų | 10 | 67.6 Ų | 67.6 | 7% | 0.07 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 132.3 | 176.1 | -57.2 | 0 | 0 | 0 | 0 | 110.5 | E1106 V1194 | E1106-S1113 CarbonylContact O-C 3.58Å; E1106-S1113 WeakPolarHBondContact O-CA 3.45Å; S1113-V1194 PolarHBondContact N-O 2.85Å; S1113-V1194 PolarHBondContact O-N 3.25Å |
| 1114 | Q | 94.8 | Very high | 88.6 | Confident | 40 Ų | 40 | 66 Ų | 66 | 19% | 0.187 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 125.4 | 170.6 | -163.4 | 172 | 21.4 | 0 | 0 | 109.3 | V1105 E1106 F1108 S1191 I1192 | V1105-Q1114 HydrophobicContact CB-CB 4.38Å; V1105-Q1114 HydrophobicContact CB-CG 4.44Å; V1105-Q1114 PolarHBondContact N-O 2.81Å; E1106-Q1114 HydrophobicContact CB-CB 4.32Å; E1106-Q1114 PolarHBondContact N-O 3.42Å; E1106-Q1114 PolarHBondContact O-N 3.46Å; F1108-Q1114 HydrophobicContact CE2-CB 3.92Å; F1108-Q1114 HydrophobicContact CZ-CB 4.4Å; Q1114-S1191 PolarHBondContact NE2-OG 3.24Å; Q1114-I1192 CarbonylContact C-O 3.53Å; Q1114-I1192 WeakPolarHBondContact CA-O 3.45Å |
| 1115 | L | 94.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 139.4 | 176 | -46.4 | 179.3 | 0 | 0 | 0 | 108.4 | R1103 V1104 L1117 L1157 L1158 S1191 I1192 V1194 | R1103-L1115 WeakPolarHBondContact O-CA 3.47Å; V1104-L1115 HydrophobicContact CB-CD2 4.32Å; V1104-L1115 HydrophobicContact CG1-CD2 4.41Å; V1104-L1115 HydrophobicContact CG2-CD2 3.82Å; L1115-L1117 HydrophobicContact CB-CD2 4.08Å; L1115-L1157 WeakPolarHBondContact CD1-O 3.32Å; L1115-L1157 HydrophobicContact CD2-CD2 4.49Å; L1115-L1158 HydrophobicContact CD1-CD1 4.34Å; L1115-S1191 CarbonylContact O-C 3.57Å; L1115-S1191 WeakPolarHBondContact O-CA 3.44Å; L1115-I1192 HydrophobicContact CB-CG1 3.96Å; L1115-I1192 HydrophobicContact CD1-CD1 4.31Å; L1115-I1192 HydrophobicContact CD1-CG1 4.42Å; L1115-I1192 HydrophobicContact CG-CG1 4.47Å; L1115-I1192 PolarHBondContact N-O 3.07Å; L1115-I1192 PolarHBondContact O-N 3.09Å; L1115-V1194 HydrophobicContact CD1-CB 4.42Å; L1115-V1194 HydrophobicContact CD1-CG2 3.8Å; L1115-V1194 HydrophobicContact CG-CG2 4.2Å |
| 1116 | Q | 93.9 | Very high | 88.1 | Confident | 52 Ų | 52 | 60.2 Ų | 60.2 | 24% | 0.243 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 115.1 | 161.9 | -175.3 | 173.8 | 48.5 | 0 | 0 | 108.2 | G1102 R1103 V1105 S1189 L1190 | G1102-Q1116 CarbonylContact C-O 3.5Å; G1102-Q1116 WeakPolarHBondContact CA-O 3.42Å; R1103-Q1116 PolarHBondContact N-O 3.48Å; R1103-Q1116 PolarHBondContact O-N 2.81Å; V1105-Q1116 HydrophobicContact CG2-CB 3.7Å; Q1116-S1189 PolarHBondContact NE2-OG 3.49Å; Q1116-S1189 VanDerWaalsContact NE2-OG 3.14Å; Q1116-L1190 WeakPolarHBondContact CA-O 3.37Å |
| 1117 | L | 92.9 | Very high | 88 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 148.7 | 177.9 | -50.6 | -173.6 | 0 | 0 | 0 | 110.3 | V1101 L1115 F1125 F1127 Y1154 L1157 L1158 S1189 L1190 I1192 | V1101-L1117 CarbonylContact O-C 3.53Å; V1101-L1117 WeakPolarHBondContact O-CA 3.46Å; L1115-L1117 HydrophobicContact CB-CD2 4.08Å; L1117-F1125 HydrophobicContact CB-CD1 4.27Å; L1117-F1125 HydrophobicContact CB-CE1 4.15Å; L1117-F1127 HydrophobicContact CD1-CE1 3.59Å; L1117-F1127 HydrophobicContact CD1-CZ 3.87Å; L1117-Y1154 HydrophobicContact CD1-CE1 4.09Å; L1117-Y1154 HydrophobicContact CD2-CD1 4.42Å; L1117-Y1154 HydrophobicContact CD2-CE1 4.12Å; L1117-L1157 HydrophobicContact CD2-CD1 4.48Å; L1117-L1158 HydrophobicContact CD1-CD2 4.4Å; L1117-S1189 WeakPolarHBondContact O-CA 3.29Å; L1117-L1190 PolarHBondContact N-O 3.25Å; L1117-L1190 PolarHBondContact O-N 2.96Å; L1117-I1192 HydrophobicContact CD1-CD1 3.78Å; L1117-I1192 HydrophobicContact CD1-CG1 4.48Å; L1117-I1192 HydrophobicContact CG-CD1 4.34Å |
| 1118 | Q | 89.2 | Confident | 87.8 | Confident | 89 Ų | 89 | 56.9 Ų | 56.9 | 42% | 0.416 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.6 | 179.1 | -66.4 | -175.5 | -69.1 | 0 | 0 | 110.3 | V1101 | V1101-Q1118 PolarHBondContact O-N 2.81Å |
| 1119 | R | 87.7 | Confident | 87.7 | Confident | 62 Ų | 62 | 55.9 Ų | 55.9 | 23% | 0.234 | 32% | 0.319 | C | S | . | . | | | trans | -69.7 | 142 | 178.8 | -169.6 | -170.8 | -66.5 | -141 | -14.6 | 110.4 | G1123 F1125 L1184 A1185 H1186 A1187 E1188 | R1119-G1123 WeakPolarHBondContact CG-O 3.5Å; R1119-F1125 HydrophobicContact CB-CD1 4.4Å; R1119-F1125 HydrophobicContact CB-CE1 3.94Å; R1119-F1125 HydrophobicContact CB-CZ 4.01Å; R1119-L1184 PolarHBondContact NH2-O 3.06Å; R1119-A1185 PolarHBondContact NH1-O 3.13Å; R1119-A1185 PolarHBondContact NH2-O 2.86Å; R1119-A1185 VanDerWaalsContact NH2-O 3.12Å; R1119-H1186 VanDerWaalsContact NH2-N 3.13Å; R1119-A1187 PolarHBondContact NE-O 3.01Å; R1119-A1187 PolarHBondContact NH2-O 3.11Å; R1119-E1188 VanDerWaalsContact CB-O 3.28Å; R1119-E1188 WeakPolarHBondContact CB-O 3.5Å; R1119-E1188 PolarHBondContact N-O 3.38Å |
| 1120 | P | 82.1 | Confident | 87.6 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 10% | 0.104 | 29% | 0.286 | C | S | . | . | | | trans | -60.4 | 147.2 | 165.5 | 25.3 | -32.5 | 0 | 0 | 0 | 111 | K1122 T1124 | P1120-K1122 PolarHBondContact O-N 2.82Å; P1120-T1124 WeakPolarHBondContact CD-O 3.27Å; P1120-T1124 WeakPolarHBondContact CG-O 3.39Å |
| 1121 | P | 75.7 | Confident | 87.3 | Confident | 136 Ų | 136 | 51.1 Ų | 51.1 | 88% | 0.883 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -66.1 | -6.6 | 176.1 | 28.6 | -36.2 | 0 | 0 | 0 | 113.8 | | |
| 1122 | K | 67 | Low | 86.5 | Confident | 196 Ų | 196 | 50.3 Ų | 50.3 | 85% | 0.852 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -141 | 111.7 | 167.2 | -62.8 | -172.1 | 179.4 | -173 | 0 | 108.3 | P1120 | P1120-K1122 PolarHBondContact O-N 2.82Š|
| 1123 | G | 77.6 | Confident | 84.9 | Confident | 52 Ų | 52 | 55.7 Ų | 55.7 | 54% | 0.536 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 119.4 | 176.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R1119 | R1119-G1123 WeakPolarHBondContact CG-O 3.5Š|
| 1124 | T | 86.9 | Confident | 83.3 | Confident | 91 Ų | 91 | 58.1 Ų | 58.1 | 56% | 0.558 | 34% | 0.342 | S | S | * | . | | | trans | -84.3 | -178.2 | 174.9 | 67.9 | 0 | 0 | 0 | 0 | 111 | P1120 G1126 | P1120-T1124 WeakPolarHBondContact CD-O 3.27Å; P1120-T1124 WeakPolarHBondContact CG-O 3.39Å; T1124-G1126 PolarHBondContact O-N 3.48Å; T1124-G1126 PolarHBondContact OG1-N 2.82Å |
| 1125 | F | 88.8 | Confident | 81.7 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 3% | 0.026 | 36% | 0.355 | C | S | . | . | | | trans | -62 | -17.1 | 169.4 | -69.6 | -77.3 | 0 | 0 | 0 | 114 | L1117 R1119 F1127 Y1154 L1184 A1187 L1190 | L1117-F1125 HydrophobicContact CB-CD1 4.27Å; L1117-F1125 HydrophobicContact CB-CE1 4.15Å; R1119-F1125 HydrophobicContact CB-CD1 4.4Å; R1119-F1125 HydrophobicContact CB-CE1 3.94Å; R1119-F1125 HydrophobicContact CB-CZ 4.01Å; F1125-F1127 HydrophobicContact CB-CD1 3.94Å; F1125-F1127 HydrophobicContact CB-CE1 3.61Å; F1125-F1127 HydrophobicContact CB-CZ 4.32Å; F1125-F1127 HydrophobicContact CG-CE1 4.29Å; F1125-Y1154 WeakPolarHBondContact O-CE2 3.43Å; F1125-Y1154 PolarHBondContact O-OH 3.12Å; F1125-L1184 HydrophobicContact CD2-CD2 4.11Å; F1125-A1187 VanDerWaalsContact CE2-O 3.24Å; F1125-A1187 WeakPolarHBondContact CE2-O 3.49Å; F1125-A1187 WeakPolarHBondContact CZ-O 3.15Å; F1125-L1190 HydrophobicContact CE1-CB 3.98Å; F1125-L1190 HydrophobicContact CE2-CB 4.15Å; F1125-L1190 HydrophobicContact CE2-CD2 4.47Å; F1125-L1190 HydrophobicContact CZ-CB 3.57Å |
| 1126 | G | 88.1 | Confident | 79.8 | Confident | 8 Ų | 8 | 74.2 Ų | 74.2 | 8% | 0.082 | 40% | 0.401 | C | S | . | . | S | Bend | trans | 76.4 | 16.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | T1124 A1146 T1150 | T1124-G1126 PolarHBondContact O-N 3.48Å; T1124-G1126 PolarHBondContact OG1-N 2.82Å; G1126-A1146 VanDerWaalsContact O-CB 3.29Å; G1126-A1146 WeakPolarHBondContact O-CB 3.26Å; G1126-A1146 PolarHBondContact O-N 3.1Å; G1126-T1150 VanDerWaalsContact O-CG2 3.25Å; G1126-T1150 WeakPolarHBondContact O-CG2 3.31Å |
| 1127 | F | 90.9 | Very high | 78.3 | Confident | 14 Ų | 14 | 77.2 Ų | 77.2 | 6% | 0.061 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 151.7 | 167 | 64.9 | -94 | 0 | 0 | 0 | 110.6 | L1117 F1125 V1129 V1142 A1144 M1145 Y1154 L1158 I1164 L1184 L1190 | L1117-F1127 HydrophobicContact CD1-CE1 3.59Å; L1117-F1127 HydrophobicContact CD1-CZ 3.87Å; F1125-F1127 HydrophobicContact CB-CD1 3.94Å; F1125-F1127 HydrophobicContact CB-CE1 3.61Å; F1125-F1127 HydrophobicContact CB-CZ 4.32Å; F1125-F1127 HydrophobicContact CG-CE1 4.29Å; F1127-V1129 HydrophobicContact CD2-CG1 4.02Å; F1127-V1129 HydrophobicContact CE2-CG1 3.89Å; F1127-V1142 HydrophobicContact CB-CG1 4.37Å; F1127-V1142 HydrophobicContact CD2-CG1 4.48Å; F1127-A1144 WeakPolarHBondContact CA-O 3.41Å; F1127-M1145 HydrophobicContact CB-SD 3.72Å; F1127-Y1154 HydrophobicContact CD1-CD2 4.42Å; F1127-Y1154 AromaticContact CD1-CE2 3.8Å; F1127-Y1154 HydrophobicContact CD1-CE2 3.8Å; F1127-Y1154 AromaticContact CD1-CZ 3.99Å; F1127-Y1154 HydrophobicContact CE1-CE2 4.44Å; F1127-L1158 HydrophobicContact CD1-CD2 4.04Å; F1127-L1158 HydrophobicContact CD2-CD2 4.13Å; F1127-L1158 HydrophobicContact CE1-CD2 3.98Å; F1127-L1158 HydrophobicContact CE2-CD2 4.08Å; F1127-L1158 HydrophobicContact CG-CD2 4.12Å; F1127-L1158 HydrophobicContact CZ-CD2 4.01Å; F1127-I1164 HydrophobicContact CE2-CD1 4.48Å; F1127-L1184 HydrophobicContact CE2-CD2 4.29Å; F1127-L1184 HydrophobicContact CZ-CD2 4.16Å; F1127-L1190 HydrophobicContact CZ-CD2 4.41Å |
| 1128 | H | 89.1 | Confident | 76.7 | Confident | 110 Ų | 110 | 78.5 Ų | 78.5 | 51% | 0.509 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 140.9 | -179.8 | -63.1 | -89.6 | 0 | 0 | 0 | 110.3 | V1142 Q1143 A1144 | H1128-V1142 CarbonylContact O-C 3.6Å; H1128-Q1143 PolarHBondContact O-N 3.27Å; H1128-A1144 HydrophobicContact CB-CB 4.4Å; H1128-A1144 PolarHBondContact N-O 3.42Å; H1128-A1144 PolarHBondContact O-N 3.13Å |
| 1129 | V | 90.6 | Very high | 75.7 | Confident | 17 Ų | 17 | 74.3 Ų | 74.3 | 10% | 0.103 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 144.6 | 177.2 | -61.8 | 0 | 0 | 0 | 0 | 111 | F1127 L1140 Y1141 I1164 L1177 I1180 L1184 | F1127-V1129 HydrophobicContact CD2-CG1 4.02Å; F1127-V1129 HydrophobicContact CE2-CG1 3.89Å; V1129-L1140 HydrophobicContact CB-CD1 3.87Å; V1129-L1140 HydrophobicContact CB-CD2 4.17Å; V1129-L1140 HydrophobicContact CB-CG 3.98Å; V1129-L1140 HydrophobicContact CG1-CD2 4.32Å; V1129-L1140 HydrophobicContact CG1-CG 4.49Å; V1129-L1140 HydrophobicContact CG2-CD1 3.92Å; V1129-L1140 HydrophobicContact CG2-CD2 4.27Å; V1129-L1140 HydrophobicContact CG2-CG 4.38Å; V1129-Y1141 VanDerWaalsContact CA-O 3.31Å; V1129-Y1141 WeakPolarHBondContact CA-O 3.37Å; V1129-I1164 HydrophobicContact CG1-CD1 3.81Å; V1129-L1177 HydrophobicContact CG2-CD1 4.4Å; V1129-I1180 HydrophobicContact CG2-CG2 4.16Å; V1129-L1184 HydrophobicContact CG1-CD1 4.19Å; V1129-L1184 HydrophobicContact CG2-CD1 3.54Å |
| 1130 | A | 86.1 | Confident | 75.7 | Confident | 27 Ų | 27 | 71.4 Ų | 71.4 | 22% | 0.223 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 147.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y1141 Q1143 | A1130-Y1141 PolarHBondContact N-O 2.83Å; A1130-Y1141 PolarHBondContact O-N 2.8Å; A1130-Q1143 HydrophobicContact CB-CB 3.83Å; A1130-Q1143 HydrophobicContact CB-CG 4.07Å |
| 1131 | H | 85.1 | Confident | 76.1 | Confident | 103 Ų | 103 | 72.2 Ų | 72.2 | 48% | 0.477 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 120.7 | 169.8 | -176.3 | -80.7 | 0 | 0 | 0 | 108.7 | S1138 G1139 | H1131-S1138 VanDerWaalsContact NE2-CA 3.31Å; H1131-S1138 WeakPolarHBondContact NE2-CA 3.28Å; H1131-S1138 VanDerWaalsContact NE2-CB 3.3Å; H1131-S1138 WeakPolarHBondContact NE2-CB 3.26Å; H1131-S1138 PolarHBondContact NE2-OG 2.97Å; H1131-G1139 CarbonylContact C-O 3.57Å; H1131-G1139 WeakPolarHBondContact CA-O 3.48Å |
| 1132 | G | 70 | Confident | 76.8 | Confident | 22 Ų | 22 | 65.8 Ų | 65.8 | 23% | 0.227 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 157.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1134 G1139 | G1132-G1134 PolarHBondContact O-N 2.93Å; G1132-G1134 VanDerWaalsContact O-N 3.13Å; G1132-G1139 PolarHBondContact N-O 3.34Å |
| 1133 | S | 59 | Low | 77.9 | Confident | 119 Ų | 119 | 62.2 Ų | 62.2 | 83% | 0.832 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -80.2 | 20 | -175.7 | 47.9 | 0 | 0 | 0 | 0 | 115 | | |
| 1134 | G | 59.5 | Low | 78.5 | Confident | 61 Ų | 61 | 61.5 Ų | 61.5 | 63% | 0.629 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -76.5 | -45.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | G1132 Y1141 | G1132-G1134 PolarHBondContact O-N 2.93Å; G1132-G1134 VanDerWaalsContact O-N 3.13Å; G1134-Y1141 WeakPolarHBondContact CA-OH 3.46Å |
| 1135 | R | 61.4 | Low | 78.7 | Confident | 124 Ų | 124 | 58.7 Ų | 58.7 | 47% | 0.468 | 31% | 0.313 | S | S | . | . | | | trans | -115 | 150.3 | 176.2 | -70.8 | -173.6 | -172.3 | -95 | -6.8 | 111.6 | D1137 Y1141 E1163 | R1135-D1137 PolarHBondContact O-N 3.2Å; R1135-Y1141 PolarHBondContact N-OH 3.16Å; R1135-E1163 WeakPolarHBondContact CD-OE1 3.48Å; R1135-E1163 WeakPolarHBondContact CG-OE1 3.27Å; R1135-E1163 IonicContact CZ-OE2 3.69Å; R1135-E1163 VanDerWaalsContact NE-CD 3.28Å; R1135-E1163 IonicContact NE-OE1 3.8Å; R1135-E1163 PolarHBondContact NE-OE1 3.33Å; R1135-E1163 VanDerWaalsContact NE-OE1 3.15Å; R1135-E1163 IonicContact NE-OE2 3.34Å; R1135-E1163 PolarHBondContact NE-OE2 3.39Å; R1135-E1163 IonicContact NH2-OE2 3.82Å; R1135-E1163 PolarHBondContact NH2-OE2 3.01Å |
| 1136 | R | 55.3 | Low | 78.8 | Confident | 253 Ų | 253 | 61.2 Ų | 61.2 | 96% | 0.955 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -29.6 | 171.8 | -65.7 | -175.8 | 177.7 | -174 | -2.2 | 112.2 | S1138 | R1136-S1138 VanDerWaalsContact C-N 3.27Å; R1136-S1138 PolarHBondContact O-N 3.32Å |
| 1137 | D | 60.9 | Low | 78.8 | Confident | 116 Ų | 116 | 65 Ų | 65 | 62% | 0.62 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 34.8 | -172.4 | -43.2 | -37.4 | 0 | 0 | 0 | 113.4 | R1135 A1173 | R1135-D1137 PolarHBondContact O-N 3.2Å; D1137-A1173 WeakPolarHBondContact O-CA 3.29Å; D1137-A1173 VanDerWaalsContact O-CB 3.27Å; D1137-A1173 WeakPolarHBondContact O-CB 3.4Å |
| 1138 | S | 59.4 | Low | 78.7 | Confident | 26 Ų | 26 | 70.2 Ų | 70.2 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 93.8 | -176.1 | 140.8 | 0 | 0 | 0 | 0 | 114.4 | H1131 R1136 V1172 | H1131-S1138 VanDerWaalsContact NE2-CA 3.31Å; H1131-S1138 WeakPolarHBondContact NE2-CA 3.28Å; H1131-S1138 VanDerWaalsContact NE2-CB 3.3Å; H1131-S1138 WeakPolarHBondContact NE2-CB 3.26Å; H1131-S1138 PolarHBondContact NE2-OG 2.97Å; R1136-S1138 VanDerWaalsContact C-N 3.27Å; R1136-S1138 PolarHBondContact O-N 3.32Å; S1138-V1172 PolarHBondContact OG-O 2.94Å |
| 1139 | G | 68.8 | Low | 78.4 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.01 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 110.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | H1131 G1132 Y1141 | H1131-G1139 CarbonylContact C-O 3.57Å; H1131-G1139 WeakPolarHBondContact CA-O 3.48Å; G1132-G1139 PolarHBondContact N-O 3.34Å; G1139-Y1141 VanDerWaalsContact C-CE2 3.43Å; G1139-Y1141 VanDerWaalsContact O-CD2 3.31Å; G1139-Y1141 WeakPolarHBondContact O-CD2 3.42Å; G1139-Y1141 WeakPolarHBondContact O-CE2 3.4Å |
| 1140 | L | 88 | Confident | 78.3 | Confident | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 122.9 | 168.4 | -174.9 | 81.1 | 0 | 0 | 0 | 109.5 | V1129 E1163 I1164 V1172 L1177 I1180 | V1129-L1140 HydrophobicContact CB-CD1 3.87Å; V1129-L1140 HydrophobicContact CB-CD2 4.17Å; V1129-L1140 HydrophobicContact CB-CG 3.98Å; V1129-L1140 HydrophobicContact CG1-CD2 4.32Å; V1129-L1140 HydrophobicContact CG1-CG 4.49Å; V1129-L1140 HydrophobicContact CG2-CD1 3.92Å; V1129-L1140 HydrophobicContact CG2-CD2 4.27Å; V1129-L1140 HydrophobicContact CG2-CG 4.38Å; L1140-E1163 CarbonylContact O-C 3.59Å; L1140-E1163 WeakPolarHBondContact O-CA 3.37Å; L1140-I1164 HydrophobicContact CB-CB 4.48Å; L1140-I1164 HydrophobicContact CD2-CB 4.06Å; L1140-I1164 HydrophobicContact CD2-CD1 4.22Å; L1140-I1164 HydrophobicContact CD2-CG2 4.19Å; L1140-I1164 PolarHBondContact O-N 3.3Å; L1140-V1172 HydrophobicContact CB-CG1 3.61Å; L1140-V1172 HydrophobicContact CD2-CG1 4.2Å; L1140-V1172 HydrophobicContact CD2-CG2 4.34Å; L1140-V1172 HydrophobicContact CG-CG1 4.39Å; L1140-L1177 HydrophobicContact CD1-CD1 3.95Å; L1140-I1180 HydrophobicContact CD1-CD1 4.18Å; L1140-I1180 HydrophobicContact CD1-CG2 4.4Å; L1140-I1180 HydrophobicContact CD2-CD1 4.25Å; L1140-I1180 HydrophobicContact CD2-CG2 3.77Å |
| 1141 | Y | 89.5 | Confident | 78.4 | Confident | 34 Ų | 34 | 68.9 Ų | 68.9 | 13% | 0.133 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 148.1 | -176.8 | -54 | -84.7 | 0 | 0 | 0 | 111.2 | V1129 A1130 G1134 R1135 G1139 Q1143 D1162 E1163 | V1129-Y1141 VanDerWaalsContact CA-O 3.31Å; V1129-Y1141 WeakPolarHBondContact CA-O 3.37Å; A1130-Y1141 PolarHBondContact N-O 2.83Å; A1130-Y1141 PolarHBondContact O-N 2.8Å; G1134-Y1141 WeakPolarHBondContact CA-OH 3.46Å; R1135-Y1141 PolarHBondContact N-OH 3.16Å; G1139-Y1141 VanDerWaalsContact C-CE2 3.43Å; G1139-Y1141 VanDerWaalsContact O-CD2 3.31Å; G1139-Y1141 WeakPolarHBondContact O-CD2 3.42Å; G1139-Y1141 WeakPolarHBondContact O-CE2 3.4Å; Y1141-Q1143 PolarHBondContact O-N 3.24Å; Y1141-D1162 WeakPolarHBondContact CA-O 3.34Å; Y1141-E1163 HydrophobicContact CD1-CB 3.73Å; Y1141-E1163 HydrophobicContact CD1-CG 4.03Å; Y1141-E1163 HydrophobicContact CE1-CB 3.56Å; Y1141-E1163 HydrophobicContact CE1-CG 3.49Å; Y1141-E1163 VanDerWaalsContact CE1-CG 3.49Å; Y1141-E1163 VanDerWaalsContact CE1-OE1 3.26Å; Y1141-E1163 WeakPolarHBondContact CE1-OE1 3.11Å; Y1141-E1163 VanDerWaalsContact CZ-OE1 3.24Å; Y1141-E1163 PolarHBondContact OH-OE1 2.85Å |
| 1142 | V | 91.5 | Very high | 78.5 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.006 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 107.5 | 169.9 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | F1127 H1128 M1145 L1158 R1159 V1160 G1161 D1162 I1164 | F1127-V1142 HydrophobicContact CB-CG1 4.37Å; F1127-V1142 HydrophobicContact CD2-CG1 4.48Å; H1128-V1142 CarbonylContact O-C 3.6Å; V1142-M1145 HydrophobicContact CG1-CE 4.07Å; V1142-L1158 HydrophobicContact CG2-CD1 3.8Å; V1142-L1158 HydrophobicContact CG2-CD2 3.87Å; V1142-L1158 HydrophobicContact CG2-CG 3.85Å; V1142-R1159 WeakPolarHBondContact CB-O 3.09Å; V1142-V1160 CarbonylContact O-C 3.41Å; V1142-V1160 WeakPolarHBondContact O-CA 3.4Å; V1142-G1161 PolarHBondContact O-N 2.68Å; V1142-D1162 PolarHBondContact N-O 3.26Å; V1142-I1164 HydrophobicContact CG2-CD1 3.99Å; V1142-I1164 HydrophobicContact CG2-CG1 4.39Å |
| 1143 | Q | 89.6 | Confident | 79.2 | Confident | 121 Ų | 121 | 68.9 Ų | 68.9 | 57% | 0.565 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -36.5 | -172.9 | -176 | 60.1 | 52.4 | 0 | 0 | 112.8 | H1128 A1130 Y1141 V1160 | H1128-Q1143 PolarHBondContact O-N 3.27Å; A1130-Q1143 HydrophobicContact CB-CB 3.83Å; A1130-Q1143 HydrophobicContact CB-CG 4.07Å; Y1141-Q1143 PolarHBondContact O-N 3.24Å; Q1143-V1160 WeakPolarHBondContact O-CG1 3.36Å |
| 1144 | A | 90.6 | Very high | 80.7 | Confident | 37 Ų | 37 | 63.3 Ų | 63.3 | 31% | 0.306 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 156.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1127 H1128 | F1127-A1144 WeakPolarHBondContact CA-O 3.41Å; H1128-A1144 HydrophobicContact CB-CB 4.4Å; H1128-A1144 PolarHBondContact N-O 3.42Å; H1128-A1144 PolarHBondContact O-N 3.13Å |
| 1145 | M | 91.4 | Very high | 81.9 | Confident | 31 Ų | 31 | 64.5 Ų | 64.5 | 15% | 0.153 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 147.8 | 161.4 | -59 | -66.2 | 175.4 | 0 | 0 | 108 | F1127 V1142 A1151 Y1154 V1160 | F1127-M1145 HydrophobicContact CB-SD 3.72Å; V1142-M1145 HydrophobicContact CG1-CE 4.07Å; M1145-A1151 HydrophobicContact CB-CB 4.01Å; M1145-A1151 HydrophobicContact CG-CB 3.83Å; M1145-Y1154 HydrophobicContact SD-CD2 4.28Å; M1145-V1160 HydrophobicContact CE-CG2 4.5Å; M1145-V1160 HydrophobicContact CG-CG2 4.08Å |
| 1146 | A | 89 | Confident | 83.1 | Confident | 60 Ų | 60 | 61.4 Ų | 61.4 | 50% | 0.496 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -66.5 | -36.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G1126 | G1126-A1146 VanDerWaalsContact O-CB 3.29Å; G1126-A1146 WeakPolarHBondContact O-CB 3.26Å; G1126-A1146 PolarHBondContact O-N 3.1Å |
| 1147 | D | 88.3 | Confident | 84.8 | Confident | 86 Ų | 86 | 50.5 Ų | 50.5 | 46% | 0.46 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -149.7 | 172.8 | 175.4 | 60.5 | 17 | 0 | 0 | 0 | 111.8 | D1149 T1150 A1151 | D1147-D1149 VanDerWaalsContact C-N 3.3Å; D1147-D1149 PolarHBondContact O-N 3.14Å; D1147-D1149 PolarHBondContact OD1-N 3.26Å; D1147-T1150 WeakPolarHBondContact OD1-CA 3.38Å; D1147-T1150 WeakPolarHBondContact OD1-CB 3.33Å; D1147-T1150 PolarHBondContact OD1-N 2.96Å; D1147-T1150 PolarHBondContact OD1-OG1 3.12Å; D1147-A1151 PolarHBondContact O-N 2.78Å; D1147-A1151 VanDerWaalsContact O-N 3.12Å |
| 1148 | L | 88.5 | Confident | 86.3 | Confident | 125 Ų | 125 | 45 Ų | 45 | 65% | 0.654 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -66 | -31.9 | 179.8 | -179.5 | 61.2 | 0 | 0 | 0 | 112.2 | A1151 K1152 | L1148-A1151 WeakPolarHBondContact O-CB 3.41Å; L1148-A1151 PolarHBondContact O-N 3.44Å; L1148-K1152 WeakPolarHBondContact O-CG 3.36Å; L1148-K1152 PolarHBondContact O-N 3.24Å |
| 1149 | D | 84.3 | Confident | 87.8 | Confident | 76 Ų | 76 | 51.1 Ų | 51.1 | 41% | 0.406 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -77.9 | -30.5 | -178.5 | -68 | -36.7 | 0 | 0 | 0 | 112.1 | D1147 K1152 L1153 | D1147-D1149 VanDerWaalsContact C-N 3.3Å; D1147-D1149 PolarHBondContact O-N 3.14Å; D1147-D1149 PolarHBondContact OD1-N 3.26Å; D1149-K1152 WeakPolarHBondContact O-CB 3.35Å; D1149-K1152 PolarHBondContact O-N 3.06Å; D1149-K1152 WeakPolarHBondContact OD1-CD 3.27Å; D1149-K1152 VanDerWaalsContact OD1-CE 3.32Å; D1149-K1152 WeakPolarHBondContact OD1-CE 3.45Å; D1149-K1152 IonicContact OD1-NZ 2.69Å; D1149-K1152 PolarHBondContact OD1-NZ 2.83Å; D1149-L1153 WeakPolarHBondContact O-CB 3.47Å; D1149-L1153 VanDerWaalsContact O-CG 3.29Å; D1149-L1153 WeakPolarHBondContact O-CG 3.35Å; D1149-L1153 PolarHBondContact O-N 3.04Å |
| 1150 | T | 87.8 | Confident | 88.8 | Confident | 12 Ų | 12 | 54.9 Ų | 54.9 | 7% | 0.074 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.3 | -37 | 167.1 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | G1126 D1147 K1152 L1153 Y1154 | G1126-T1150 VanDerWaalsContact O-CG2 3.25Å; G1126-T1150 WeakPolarHBondContact O-CG2 3.31Å; D1147-T1150 WeakPolarHBondContact OD1-CA 3.38Å; D1147-T1150 WeakPolarHBondContact OD1-CB 3.33Å; D1147-T1150 PolarHBondContact OD1-N 2.96Å; D1147-T1150 PolarHBondContact OD1-OG1 3.12Å; T1150-K1152 VanDerWaalsContact C-N 3.29Å; T1150-K1152 PolarHBondContact O-N 2.88Å; T1150-L1153 PolarHBondContact O-N 2.86Å; T1150-Y1154 HydrophobicContact CG2-CD2 3.55Å; T1150-Y1154 HydrophobicContact CG2-CE2 3.43Å; T1150-Y1154 VanDerWaalsContact CG2-CE2 3.43Å; T1150-Y1154 WeakPolarHBondContact O-CD2 3.11Å; T1150-Y1154 PolarHBondContact O-N 3.04Å |
| 1151 | A | 88.1 | Confident | 88.8 | Confident | 38 Ų | 38 | 55.5 Ų | 55.5 | 31% | 0.314 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.7 | -33.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1145 D1147 L1148 S1155 | M1145-A1151 HydrophobicContact CB-CB 4.01Å; M1145-A1151 HydrophobicContact CG-CB 3.83Å; D1147-A1151 PolarHBondContact O-N 2.78Å; D1147-A1151 VanDerWaalsContact O-N 3.12Å; L1148-A1151 WeakPolarHBondContact O-CB 3.41Å; L1148-A1151 PolarHBondContact O-N 3.44Å; A1151-S1155 PolarHBondContact O-N 3.39Å |
| 1152 | K | 86.8 | Confident | 88.9 | Confident | 82 Ų | 82 | 54 Ų | 54 | 36% | 0.357 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.3 | -45.2 | 169.3 | -66.1 | 170.1 | -166.2 | 163.6 | 0 | 111.6 | L1148 D1149 T1150 Y1154 S1155 | L1148-K1152 WeakPolarHBondContact O-CG 3.36Å; L1148-K1152 PolarHBondContact O-N 3.24Å; D1149-K1152 WeakPolarHBondContact O-CB 3.35Å; D1149-K1152 PolarHBondContact O-N 3.06Å; D1149-K1152 WeakPolarHBondContact OD1-CD 3.27Å; D1149-K1152 VanDerWaalsContact OD1-CE 3.32Å; D1149-K1152 WeakPolarHBondContact OD1-CE 3.45Å; D1149-K1152 IonicContact OD1-NZ 2.69Å; D1149-K1152 PolarHBondContact OD1-NZ 2.83Å; T1150-K1152 VanDerWaalsContact C-N 3.29Å; T1150-K1152 PolarHBondContact O-N 2.88Å; K1152-Y1154 PolarHBondContact O-N 2.85Å; K1152-S1155 WeakPolarHBondContact O-CB 3.26Å; K1152-S1155 PolarHBondContact O-N 2.88Å; K1152-S1155 PolarHBondContact O-OG 3.25Å |
| 1153 | L | 85.3 | Confident | 88.9 | Confident | 43 Ų | 43 | 54.5 Ų | 54.5 | 23% | 0.225 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.3 | -41.5 | -177.7 | -76.7 | 168.6 | 0 | 0 | 0 | 113 | P1095 V1101 D1149 T1150 S1155 | P1095-L1153 HydrophobicContact CB-CD2 3.86Å; V1101-L1153 HydrophobicContact CG1-CB 4.02Å; V1101-L1153 HydrophobicContact CG1-CD1 4.23Å; V1101-L1153 HydrophobicContact CG1-CD2 4.06Å; V1101-L1153 HydrophobicContact CG1-CG 4.34Å; V1101-L1153 HydrophobicContact CG2-CB 4.26Å; V1101-L1153 VanDerWaalsContact CG2-O 3.3Å; V1101-L1153 WeakPolarHBondContact CG2-O 3.25Å; D1149-L1153 WeakPolarHBondContact O-CB 3.47Å; D1149-L1153 VanDerWaalsContact O-CG 3.29Å; D1149-L1153 WeakPolarHBondContact O-CG 3.35Å; D1149-L1153 PolarHBondContact O-N 3.04Å; T1150-L1153 PolarHBondContact O-N 2.86Å; L1153-S1155 VanDerWaalsContact C-N 3.32Å |
| 1154 | Y | 90.1 | Very high | 88.9 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 3.1 | 174.7 | -67.4 | -64.3 | 0 | 0 | 0 | 114.3 | V1101 L1117 F1125 F1127 M1145 T1150 K1152 G1156 L1157 L1158 | V1101-Y1154 HydrophobicContact CB-CD1 4.35Å; V1101-Y1154 HydrophobicContact CB-CE1 3.83Å; V1101-Y1154 HydrophobicContact CG2-CD1 3.66Å; V1101-Y1154 HydrophobicContact CG2-CE1 3.67Å; V1101-Y1154 HydrophobicContact CG2-CG 4.41Å; L1117-Y1154 HydrophobicContact CD1-CE1 4.09Å; L1117-Y1154 HydrophobicContact CD2-CD1 4.42Å; L1117-Y1154 HydrophobicContact CD2-CE1 4.12Å; F1125-Y1154 WeakPolarHBondContact O-CE2 3.43Å; F1125-Y1154 PolarHBondContact O-OH 3.12Å; F1127-Y1154 HydrophobicContact CD1-CD2 4.42Å; F1127-Y1154 AromaticContact CD1-CE2 3.8Å; F1127-Y1154 HydrophobicContact CD1-CE2 3.8Å; F1127-Y1154 AromaticContact CD1-CZ 3.99Å; F1127-Y1154 HydrophobicContact CE1-CE2 4.44Å; M1145-Y1154 HydrophobicContact SD-CD2 4.28Å; T1150-Y1154 HydrophobicContact CG2-CD2 3.55Å; T1150-Y1154 HydrophobicContact CG2-CE2 3.43Å; T1150-Y1154 VanDerWaalsContact CG2-CE2 3.43Å; T1150-Y1154 WeakPolarHBondContact O-CD2 3.11Å; T1150-Y1154 PolarHBondContact O-N 3.04Å; K1152-Y1154 PolarHBondContact O-N 2.85Å; Y1154-G1156 PolarHBondContact O-N 2.81Å; Y1154-L1157 HydrophobicContact CD1-CD1 4.49Å; Y1154-L1157 WeakPolarHBondContact O-CA 3.11Å; Y1154-L1157 WeakPolarHBondContact O-CB 3.36Å; Y1154-L1157 PolarHBondContact O-N 3.01Å; Y1154-L1158 PolarHBondContact O-N 2.84Å |
| 1155 | S | 85.9 | Confident | 88.9 | Confident | 85 Ų | 85 | 49.5 Ų | 49.5 | 59% | 0.594 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 124.5 | -178.3 | 69.9 | 0 | 0 | 0 | 0 | 111.2 | A1151 K1152 L1153 L1157 | A1151-S1155 PolarHBondContact O-N 3.39Å; K1152-S1155 WeakPolarHBondContact O-CB 3.26Å; K1152-S1155 PolarHBondContact O-N 2.88Å; K1152-S1155 PolarHBondContact O-OG 3.25Å; L1153-S1155 VanDerWaalsContact C-N 3.32Å; S1155-L1157 VanDerWaalsContact C-N 3.32Å; S1155-L1157 PolarHBondContact O-N 2.99Å |
| 1156 | G | 86.3 | Confident | 88.9 | Confident | 59 Ų | 59 | 49.5 Ų | 49.5 | 61% | 0.608 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.5 | -10.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y1154 R1196 | Y1154-G1156 PolarHBondContact O-N 2.81Å; G1156-R1196 PolarHBondContact O-NH2 2.69Å |
| 1157 | L | 91.3 | Very high | 89 | Confident | 24 Ų | 24 | 47 Ų | 47 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -56.5 | 168.7 | -67.4 | 177.6 | 0 | 0 | 0 | 111.8 | V1101 V1104 L1115 L1117 Y1154 S1155 R1196 | V1101-L1157 HydrophobicContact CG2-CD1 4.21Å; V1104-L1157 HydrophobicContact CG2-CD2 3.99Å; L1115-L1157 WeakPolarHBondContact CD1-O 3.32Å; L1115-L1157 HydrophobicContact CD2-CD2 4.49Å; L1117-L1157 HydrophobicContact CD2-CD1 4.48Å; Y1154-L1157 HydrophobicContact CD1-CD1 4.49Å; Y1154-L1157 WeakPolarHBondContact O-CA 3.11Å; Y1154-L1157 WeakPolarHBondContact O-CB 3.36Å; Y1154-L1157 PolarHBondContact O-N 3.01Å; S1155-L1157 VanDerWaalsContact C-N 3.32Å; S1155-L1157 PolarHBondContact O-N 2.99Å; L1157-R1196 PolarHBondContact O-NH2 3.43Å |
| 1158 | L | 92 | Very high | 88.9 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | | | trans | -144.3 | 141.9 | -169.7 | -168.8 | 68.4 | 0 | 0 | 0 | 110.6 | L1115 L1117 F1127 V1142 Y1154 D1162 I1192 V1194 | L1115-L1158 HydrophobicContact CD1-CD1 4.34Å; L1117-L1158 HydrophobicContact CD1-CD2 4.4Å; F1127-L1158 HydrophobicContact CD1-CD2 4.04Å; F1127-L1158 HydrophobicContact CD2-CD2 4.13Å; F1127-L1158 HydrophobicContact CE1-CD2 3.98Å; F1127-L1158 HydrophobicContact CE2-CD2 4.08Å; F1127-L1158 HydrophobicContact CG-CD2 4.12Å; F1127-L1158 HydrophobicContact CZ-CD2 4.01Å; V1142-L1158 HydrophobicContact CG2-CD1 3.8Å; V1142-L1158 HydrophobicContact CG2-CD2 3.87Å; V1142-L1158 HydrophobicContact CG2-CG 3.85Å; Y1154-L1158 PolarHBondContact O-N 2.84Å; L1158-D1162 HydrophobicContact CD1-CB 4.1Å; L1158-I1192 HydrophobicContact CD1-CD1 4.44Å; L1158-I1192 HydrophobicContact CD2-CD1 4.5Å; L1158-V1194 HydrophobicContact CD1-CG1 3.97Å; L1158-V1194 HydrophobicContact CD1-CG2 4.07Å |
| 1159 | R | 90.6 | Very high | 88.7 | Confident | 154 Ų | 154 | 42.4 Ų | 42.4 | 58% | 0.581 | 27% | 0.269 | S | S | * | . | | | trans | -132.2 | 156 | 179.3 | -61.3 | -179 | 65 | -178.5 | -2.6 | 111.6 | V1142 G1161 D1162 | V1142-R1159 WeakPolarHBondContact CB-O 3.09Å; R1159-G1161 PolarHBondContact O-N 3.31Å; R1159-D1162 WeakPolarHBondContact CB-OD2 3.35Å; R1159-D1162 PolarHBondContact N-OD2 2.83Å; R1159-D1162 WeakPolarHBondContact O-CB 3.02Å; R1159-D1162 PolarHBondContact O-N 2.8Å; R1159-D1162 VanDerWaalsContact O-N 3.07Å |
| 1160 | V | 90.5 | Very high | 88.8 | Confident | 79 Ų | 79 | 41.1 Ų | 41.1 | 48% | 0.479 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 132.2 | 164.8 | 177.3 | 0 | 0 | 0 | 0 | 109.1 | V1142 Q1143 M1145 | V1142-V1160 CarbonylContact O-C 3.41Å; V1142-V1160 WeakPolarHBondContact O-CA 3.4Å; Q1143-V1160 WeakPolarHBondContact O-CG1 3.36Å; M1145-V1160 HydrophobicContact CE-CG2 4.5Å; M1145-V1160 HydrophobicContact CG-CG2 4.08Å |
| 1161 | G | 87.8 | Confident | 88.9 | Confident | 14 Ų | 14 | 47.6 Ų | 47.6 | 14% | 0.144 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | -24.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | V1142 R1159 Q1197 | V1142-G1161 PolarHBondContact O-N 2.68Å; R1159-G1161 PolarHBondContact O-N 3.31Å; G1161-Q1197 VanDerWaalsContact O-CG 3.25Å; G1161-Q1197 WeakPolarHBondContact O-CG 3.19Å; G1161-Q1197 PolarHBondContact O-NE2 2.65Å |
| 1162 | D | 90.9 | Very high | 88.8 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | | | trans | -61.2 | 140.4 | -179.1 | -73.6 | -23 | 0 | 0 | 0 | 111.7 | Y1141 V1142 L1158 R1159 V1194 R1196 Q1197 | Y1141-D1162 WeakPolarHBondContact CA-O 3.34Å; V1142-D1162 PolarHBondContact N-O 3.26Å; L1158-D1162 HydrophobicContact CD1-CB 4.1Å; R1159-D1162 WeakPolarHBondContact CB-OD2 3.35Å; R1159-D1162 PolarHBondContact N-OD2 2.83Å; R1159-D1162 WeakPolarHBondContact O-CB 3.02Å; R1159-D1162 PolarHBondContact O-N 2.8Å; R1159-D1162 VanDerWaalsContact O-N 3.07Å; D1162-V1194 HydrophobicContact CB-CG1 3.76Å; D1162-R1196 VanDerWaalsContact OD1-CA 3.26Å; D1162-R1196 WeakPolarHBondContact OD1-CA 3.43Å; D1162-Q1197 PolarHBondContact OD1-N 2.62Å |
| 1163 | E | 90.9 | Very high | 88.4 | Confident | 12 Ų | 12 | 44.5 Ų | 44.5 | 6% | 0.056 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 122.1 | -173.1 | -178.3 | 173.3 | -125.1 | 0 | 0 | 110.3 | R1135 L1140 Y1141 L1165 V1194 L1195 | R1135-E1163 WeakPolarHBondContact CD-OE1 3.48Å; R1135-E1163 WeakPolarHBondContact CG-OE1 3.27Å; R1135-E1163 IonicContact CZ-OE2 3.69Å; R1135-E1163 VanDerWaalsContact NE-CD 3.28Å; R1135-E1163 IonicContact NE-OE1 3.8Å; R1135-E1163 PolarHBondContact NE-OE1 3.33Å; R1135-E1163 VanDerWaalsContact NE-OE1 3.15Å; R1135-E1163 IonicContact NE-OE2 3.34Å; R1135-E1163 PolarHBondContact NE-OE2 3.39Å; R1135-E1163 IonicContact NH2-OE2 3.82Å; R1135-E1163 PolarHBondContact NH2-OE2 3.01Å; L1140-E1163 CarbonylContact O-C 3.59Å; L1140-E1163 WeakPolarHBondContact O-CA 3.37Å; Y1141-E1163 HydrophobicContact CD1-CB 3.73Å; Y1141-E1163 HydrophobicContact CD1-CG 4.03Å; Y1141-E1163 HydrophobicContact CE1-CB 3.56Å; Y1141-E1163 HydrophobicContact CE1-CG 3.49Å; Y1141-E1163 VanDerWaalsContact CE1-CG 3.49Å; Y1141-E1163 VanDerWaalsContact CE1-OE1 3.26Å; Y1141-E1163 WeakPolarHBondContact CE1-OE1 3.11Å; Y1141-E1163 VanDerWaalsContact CZ-OE1 3.24Å; Y1141-E1163 PolarHBondContact OH-OE1 2.85Å; E1163-L1165 HydrophobicContact CG-CD2 3.91Å; E1163-V1194 CarbonylContact O-C 3.57Å; E1163-V1194 VanDerWaalsContact O-CA 3.29Å; E1163-V1194 WeakPolarHBondContact O-CA 3.28Å; E1163-L1195 HydrophobicContact CB-CB 4.27Å; E1163-L1195 PolarHBondContact N-O 3.11Å; E1163-L1195 PolarHBondContact O-N 3.4Å; E1163-L1195 WeakPolarHBondContact OE2-CD2 3.38Å |
| 1164 | I | 91.1 | Very high | 87.7 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 114.3 | 179.4 | -58.3 | 170.8 | 0 | 0 | 0 | 108 | F1127 V1129 L1140 V1142 V1167 V1172 I1192 V1194 | F1127-I1164 HydrophobicContact CE2-CD1 4.48Å; V1129-I1164 HydrophobicContact CG1-CD1 3.81Å; L1140-I1164 HydrophobicContact CB-CB 4.48Å; L1140-I1164 HydrophobicContact CD2-CB 4.06Å; L1140-I1164 HydrophobicContact CD2-CD1 4.22Å; L1140-I1164 HydrophobicContact CD2-CG2 4.19Å; L1140-I1164 PolarHBondContact O-N 3.3Å; V1142-I1164 HydrophobicContact CG2-CD1 3.99Å; V1142-I1164 HydrophobicContact CG2-CG1 4.39Å; I1164-V1167 HydrophobicContact CG2-CG2 3.69Å; I1164-V1172 HydrophobicContact CG2-CG2 4.31Å; I1164-I1192 HydrophobicContact CD1-CD1 4.48Å; I1164-I1192 HydrophobicContact CG2-CB 4.22Å; I1164-I1192 HydrophobicContact CG2-CG2 4.32Å; I1164-V1194 HydrophobicContact CG1-CG2 4.38Å |
| 1165 | L | 89.8 | Confident | 87.1 | Confident | 49 Ų | 49 | 47.9 Ų | 47.9 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -31.9 | -175.8 | -59 | 175.5 | 0 | 0 | 0 | 112.7 | T1112 E1163 V1172 R1193 L1195 | T1112-L1165 HydrophobicContact CG2-CD1 3.55Å; E1163-L1165 HydrophobicContact CG-CD2 3.91Å; L1165-V1172 PolarHBondContact O-N 3.05Å; L1165-R1193 PolarHBondContact N-O 2.61Å; L1165-L1195 HydrophobicContact CD1-CB 4.12Å; L1165-L1195 HydrophobicContact CG-CB 4.49Å |
| 1166 | E | 91 | Very high | 86.9 | Confident | 31 Ų | 31 | 46.1 Ų | 46.1 | 15% | 0.145 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 144.2 | -179.9 | -60.2 | 160.5 | -162.5 | 0 | 0 | 110.2 | A1170 K1171 I1192 R1193 | E1166-A1170 CarbonylContact C-O 3.57Å; E1166-A1170 WeakPolarHBondContact CA-O 3.46Å; E1166-K1171 HydrophobicContact CG-CG 4.15Å; E1166-I1192 CarbonylContact O-C 3.52Å; E1166-I1192 VanDerWaalsContact O-CA 3.26Å; E1166-I1192 WeakPolarHBondContact O-CA 3.49Å; E1166-R1193 HydrophobicContact CB-CB 3.74Å; E1166-R1193 HydrophobicContact CG-CB 4.09Å; E1166-R1193 PolarHBondContact O-N 3.47Å; E1166-R1193 WeakPolarHBondContact OE1-CD 3.39Å; E1166-R1193 IonicContact OE1-CZ 3.04Å; E1166-R1193 IonicContact OE1-NE 3.49Å; E1166-R1193 IonicContact OE1-NH1 2.69Å; E1166-R1193 PolarHBondContact OE1-NH1 3.38Å; E1166-R1193 VanDerWaalsContact OE2-CD 3.28Å; E1166-R1193 WeakPolarHBondContact OE2-CD 3.25Å |
| 1167 | V | 90.8 | Very high | 86.8 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 125.7 | 173.9 | 179.5 | 0 | 0 | 0 | 0 | 108 | I1164 G1169 A1170 V1172 L1183 L1190 I1192 | I1164-V1167 HydrophobicContact CG2-CG2 3.69Å; V1167-G1169 PolarHBondContact O-N 2.92Å; V1167-G1169 VanDerWaalsContact O-N 3.14Å; V1167-A1170 PolarHBondContact N-O 3.06Å; V1167-A1170 PolarHBondContact O-N 3.42Å; V1167-V1172 HydrophobicContact CB-CG2 4.5Å; V1167-V1172 HydrophobicContact CG2-CG2 3.76Å; V1167-L1183 HydrophobicContact CG1-CD1 4.29Å; V1167-L1190 HydrophobicContact CG1-CD1 3.9Å; V1167-L1190 HydrophobicContact CG1-CG 4.5Å; V1167-I1192 HydrophobicContact CG1-CG2 4.42Å; V1167-I1192 HydrophobicContact CG2-CG2 4.1Å |
| 1168 | G | 86.9 | Confident | 86.5 | Confident | 65 Ų | 65 | 48.8 Ų | 48.8 | 67% | 0.67 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 8.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1191 | G1168-S1191 PolarHBondContact N-O 3.36Š|
| 1169 | G | 84.8 | Confident | 86.1 | Confident | 51 Ų | 51 | 52.6 Ų | 52.6 | 53% | 0.526 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | -7.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V1167 | V1167-G1169 PolarHBondContact O-N 2.92Å; V1167-G1169 VanDerWaalsContact O-N 3.14Å |
| 1170 | A | 86.7 | Confident | 85.9 | Confident | 48 Ų | 48 | 45.5 Ų | 45.5 | 40% | 0.397 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 135.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | E1166 V1167 L1175 | E1166-A1170 CarbonylContact C-O 3.57Å; E1166-A1170 WeakPolarHBondContact CA-O 3.46Å; V1167-A1170 PolarHBondContact N-O 3.06Å; V1167-A1170 PolarHBondContact O-N 3.42Å; A1170-L1175 HydrophobicContact CB-CD1 4.06Å |
| 1171 | K | 88.2 | Confident | 85.7 | Confident | 148 Ų | 148 | 47.4 Ų | 47.4 | 64% | 0.643 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 134.5 | 174.9 | -70.5 | -177.4 | 178.9 | 179.5 | 0 | 110.5 | E1166 A1173 | E1166-K1171 HydrophobicContact CG-CG 4.15Å; K1171-A1173 HydrophobicContact CB-CB 4.25Å; K1171-A1173 PolarHBondContact O-N 2.94Å |
| 1172 | V | 86.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -66.2 | -20.7 | 176.8 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | S1138 L1140 I1164 L1165 V1167 G1174 L1175 I1180 | S1138-V1172 PolarHBondContact OG-O 2.94Å; L1140-V1172 HydrophobicContact CB-CG1 3.61Å; L1140-V1172 HydrophobicContact CD2-CG1 4.2Å; L1140-V1172 HydrophobicContact CD2-CG2 4.34Å; L1140-V1172 HydrophobicContact CG-CG1 4.39Å; I1164-V1172 HydrophobicContact CG2-CG2 4.31Å; L1165-V1172 PolarHBondContact O-N 3.05Å; V1167-V1172 HydrophobicContact CB-CG2 4.5Å; V1167-V1172 HydrophobicContact CG2-CG2 3.76Å; V1172-G1174 PolarHBondContact O-N 3.48Å; V1172-L1175 PolarHBondContact O-N 2.87Å; V1172-I1180 HydrophobicContact CG1-CD1 3.66Å |
| 1173 | A | 78.4 | Confident | 85.4 | Confident | 56 Ų | 56 | 54 Ų | 54 | 46% | 0.463 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -49 | -20.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | D1137 K1171 | D1137-A1173 WeakPolarHBondContact O-CA 3.29Å; D1137-A1173 VanDerWaalsContact O-CB 3.27Å; D1137-A1173 WeakPolarHBondContact O-CB 3.4Å; K1171-A1173 HydrophobicContact CB-CB 4.25Å; K1171-A1173 PolarHBondContact O-N 2.94Å |
| 1174 | G | 71.9 | Confident | 85.2 | Confident | 74 Ų | 74 | 54.6 Ų | 54.6 | 76% | 0.763 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -126.8 | 8.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V1172 | V1172-G1174 PolarHBondContact O-N 3.48Š|
| 1175 | L | 77.9 | Confident | 84.9 | Confident | 42 Ų | 42 | 56.9 Ų | 56.9 | 22% | 0.22 | 37% | 0.372 | C | S | . | . | | | trans | -101.6 | 121.1 | -176.1 | -59.7 | -178.5 | 0 | 0 | 0 | 111.3 | A1170 V1172 I1180 | A1170-L1175 HydrophobicContact CB-CD1 4.06Å; V1172-L1175 PolarHBondContact O-N 2.87Å; L1175-I1180 HydrophobicContact CB-CD1 3.97Å; L1175-I1180 HydrophobicContact CB-CG1 3.83Å; L1175-I1180 WeakPolarHBondContact O-CD1 3.42Å |
| 1176 | G | 80.3 | Confident | 84.7 | Confident | 47 Ų | 47 | 61.2 Ų | 61.2 | 49% | 0.485 | 39% | 0.391 | S | S | . | . | | | trans | -64.1 | 140.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1178 H1179 I1180 | G1176-A1178 PolarHBondContact O-N 2.83Å; G1176-H1179 PolarHBondContact O-N 3.03Å; G1176-I1180 PolarHBondContact O-N 2.89Å |
| 1177 | L | 84.1 | Confident | 84.5 | Confident | 59 Ų | 59 | 61.1 Ų | 61.1 | 31% | 0.309 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -55.8 | -27.5 | -178.3 | -177.4 | 62.2 | 0 | 0 | 0 | 113.6 | V1129 L1140 K1181 | V1129-L1177 HydrophobicContact CG2-CD1 4.4Å; L1140-L1177 HydrophobicContact CD1-CD1 3.95Å; L1177-K1181 HydrophobicContact CG-CD 4.36Å; L1177-K1181 WeakPolarHBondContact O-CB 3.31Å; L1177-K1181 VanDerWaalsContact O-CG 3.26Å; L1177-K1181 WeakPolarHBondContact O-CG 3.45Å; L1177-K1181 PolarHBondContact O-N 3.45Å |
| 1178 | A | 84.8 | Confident | 84.3 | Confident | 81 Ų | 81 | 68.5 Ų | 68.5 | 67% | 0.669 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.9 | -50.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | G1176 I1180 K1181 E1182 | G1176-A1178 PolarHBondContact O-N 2.83Å; A1178-I1180 VanDerWaalsContact C-N 3.35Å; A1178-I1180 PolarHBondContact O-N 3.03Å; A1178-K1181 WeakPolarHBondContact O-CB 3.31Å; A1178-K1181 PolarHBondContact O-N 3.17Å; A1178-E1182 WeakPolarHBondContact O-CB 3.39Å; A1178-E1182 PolarHBondContact O-N 3.31Å |
| 1179 | H | 85 | Confident | 84.3 | Confident | 82 Ų | 82 | 67.9 Ų | 67.9 | 38% | 0.38 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.1 | -34.5 | 178.2 | -174 | 60.4 | 0 | 0 | 0 | 112.3 | G1176 E1182 L1183 | G1176-H1179 PolarHBondContact O-N 3.03Å; H1179-E1182 IonicContact CE1-OE2 3.87Å; H1179-E1182 IonicContact CG-OE2 2.65Å; H1179-E1182 IonicContact ND1-OE2 3.07Å; H1179-E1182 PolarHBondContact ND1-OE2 2.64Å; H1179-E1182 WeakPolarHBondContact O-CB 3.35Å; H1179-E1182 PolarHBondContact O-N 3.1Å; H1179-L1183 WeakPolarHBondContact O-CG 3.31Å; H1179-L1183 PolarHBondContact O-N 3Å |
| 1180 | I | 86.7 | Confident | 84.7 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 172.8 | -61.7 | 168.5 | 0 | 0 | 0 | 111 | V1129 L1140 V1172 L1175 G1176 A1178 E1182 L1183 L1184 | V1129-I1180 HydrophobicContact CG2-CG2 4.16Å; L1140-I1180 HydrophobicContact CD1-CD1 4.18Å; L1140-I1180 HydrophobicContact CD1-CG2 4.4Å; L1140-I1180 HydrophobicContact CD2-CD1 4.25Å; L1140-I1180 HydrophobicContact CD2-CG2 3.77Å; V1172-I1180 HydrophobicContact CG1-CD1 3.66Å; L1175-I1180 HydrophobicContact CB-CD1 3.97Å; L1175-I1180 HydrophobicContact CB-CG1 3.83Å; L1175-I1180 WeakPolarHBondContact O-CD1 3.42Å; G1176-I1180 PolarHBondContact O-N 2.89Å; A1178-I1180 VanDerWaalsContact C-N 3.35Å; A1178-I1180 PolarHBondContact O-N 3.03Å; I1180-E1182 VanDerWaalsContact C-N 3.34Å; I1180-L1183 PolarHBondContact O-N 2.83Å; I1180-L1184 HydrophobicContact CG2-CD1 4.18Å; I1180-L1184 WeakPolarHBondContact O-CB 3.3Å; I1180-L1184 VanDerWaalsContact O-CG 3.3Å; I1180-L1184 WeakPolarHBondContact O-CG 3.42Å; I1180-L1184 PolarHBondContact O-N 3.26Å |
| 1181 | K | 85.2 | Confident | 85 | Confident | 120 Ų | 120 | 64.9 Ų | 64.9 | 52% | 0.522 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64 | -39.1 | 173.9 | -75.7 | 171 | 177.3 | 180 | 0 | 111.8 | L1177 A1178 L1184 A1185 | L1177-K1181 HydrophobicContact CG-CD 4.36Å; L1177-K1181 WeakPolarHBondContact O-CB 3.31Å; L1177-K1181 VanDerWaalsContact O-CG 3.26Å; L1177-K1181 WeakPolarHBondContact O-CG 3.45Å; L1177-K1181 PolarHBondContact O-N 3.45Å; A1178-K1181 WeakPolarHBondContact O-CB 3.31Å; A1178-K1181 PolarHBondContact O-N 3.17Å; K1181-L1184 CarbonylContact O-C 3.57Å; K1181-L1184 PolarHBondContact O-N 3.2Å; K1181-A1185 VanDerWaalsContact O-CB 3.23Å; K1181-A1185 WeakPolarHBondContact O-CB 3.47Å; K1181-A1185 PolarHBondContact O-N 3.14Å |
| 1182 | E | 86.4 | Confident | 85.2 | Confident | 99 Ų | 99 | 57.9 Ų | 57.9 | 46% | 0.463 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 175 | -178 | -176.6 | -147.1 | 0 | 0 | 112.2 | A1178 H1179 I1180 L1184 A1185 H1186 | A1178-E1182 WeakPolarHBondContact O-CB 3.39Å; A1178-E1182 PolarHBondContact O-N 3.31Å; H1179-E1182 IonicContact CE1-OE2 3.87Å; H1179-E1182 IonicContact CG-OE2 2.65Å; H1179-E1182 IonicContact ND1-OE2 3.07Å; H1179-E1182 PolarHBondContact ND1-OE2 2.64Å; H1179-E1182 WeakPolarHBondContact O-CB 3.35Å; H1179-E1182 PolarHBondContact O-N 3.1Å; I1180-E1182 VanDerWaalsContact C-N 3.34Å; E1182-L1184 PolarHBondContact O-N 3.38Å; E1182-A1185 CarbonylContact O-C 3.54Å; E1182-A1185 WeakPolarHBondContact O-CA 3.41Å; E1182-A1185 WeakPolarHBondContact O-CB 3.5Å; E1182-A1185 PolarHBondContact O-N 3.01Å; E1182-H1186 PolarHBondContact O-N 3.14Å; E1182-H1186 PolarHBondContact O-ND1 3.07Å |
| 1183 | L | 86.4 | Confident | 85.6 | Confident | 55 Ų | 55 | 60.1 Ų | 60.1 | 29% | 0.288 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 173.4 | -71.8 | 170.2 | 0 | 0 | 0 | 111.4 | V1167 H1179 I1180 A1185 H1186 A1187 | V1167-L1183 HydrophobicContact CG1-CD1 4.29Å; H1179-L1183 WeakPolarHBondContact O-CG 3.31Å; H1179-L1183 PolarHBondContact O-N 3Å; I1180-L1183 PolarHBondContact O-N 2.83Å; L1183-A1185 PolarHBondContact O-N 3.4Å; L1183-H1186 PolarHBondContact O-N 3.03Å; L1183-A1187 VanDerWaalsContact O-CB 3.26Å; L1183-A1187 WeakPolarHBondContact O-CB 3.3Å; L1183-A1187 PolarHBondContact O-N 3.1Å |
| 1184 | L | 87.1 | Confident | 86.3 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 14% | 0.136 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.7 | -25.3 | 174 | -70.9 | 170.8 | 0 | 0 | 0 | 113.1 | R1119 F1125 F1127 V1129 I1180 K1181 E1182 L1190 | R1119-L1184 PolarHBondContact NH2-O 3.06Å; F1125-L1184 HydrophobicContact CD2-CD2 4.11Å; F1127-L1184 HydrophobicContact CE2-CD2 4.29Å; F1127-L1184 HydrophobicContact CZ-CD2 4.16Å; V1129-L1184 HydrophobicContact CG1-CD1 4.19Å; V1129-L1184 HydrophobicContact CG2-CD1 3.54Å; I1180-L1184 HydrophobicContact CG2-CD1 4.18Å; I1180-L1184 WeakPolarHBondContact O-CB 3.3Å; I1180-L1184 VanDerWaalsContact O-CG 3.3Å; I1180-L1184 WeakPolarHBondContact O-CG 3.42Å; I1180-L1184 PolarHBondContact O-N 3.26Å; K1181-L1184 CarbonylContact O-C 3.57Å; K1181-L1184 PolarHBondContact O-N 3.2Å; E1182-L1184 PolarHBondContact O-N 3.38Å; L1184-L1190 HydrophobicContact CD2-CD1 4.32Å; L1184-L1190 HydrophobicContact CD2-CD2 3.51Å |
| 1185 | A | 84.9 | Confident | 87.2 | Confident | 51 Ų | 51 | 56 Ų | 56 | 42% | 0.421 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -85.5 | -24 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1119 K1181 E1182 L1183 | R1119-A1185 PolarHBondContact NH1-O 3.13Å; R1119-A1185 PolarHBondContact NH2-O 2.86Å; R1119-A1185 VanDerWaalsContact NH2-O 3.12Å; K1181-A1185 VanDerWaalsContact O-CB 3.23Å; K1181-A1185 WeakPolarHBondContact O-CB 3.47Å; K1181-A1185 PolarHBondContact O-N 3.14Å; E1182-A1185 CarbonylContact O-C 3.54Å; E1182-A1185 WeakPolarHBondContact O-CA 3.41Å; E1182-A1185 WeakPolarHBondContact O-CB 3.5Å; E1182-A1185 PolarHBondContact O-N 3.01Å; L1183-A1185 PolarHBondContact O-N 3.4Å |
| 1186 | H | 84.6 | Confident | 87.6 | Confident | 140 Ų | 140 | 58.3 Ų | 58.3 | 65% | 0.648 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -115.3 | -31.8 | -176.3 | -60.6 | 103.1 | 0 | 0 | 0 | 116.3 | R1119 E1182 L1183 E1188 | R1119-H1186 VanDerWaalsContact NH2-N 3.13Å; E1182-H1186 PolarHBondContact O-N 3.14Å; E1182-H1186 PolarHBondContact O-ND1 3.07Å; L1183-H1186 PolarHBondContact O-N 3.03Å; H1186-E1188 PolarHBondContact O-N 3.19Å |
| 1187 | A | 86.2 | Confident | 87.4 | Confident | 29 Ų | 29 | 61.6 Ų | 61.6 | 24% | 0.24 | 32% | 0.321 | C | S | . | . | | | trans | -69.5 | 121.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1119 F1125 L1183 S1189 L1190 | R1119-A1187 PolarHBondContact NE-O 3.01Å; R1119-A1187 PolarHBondContact NH2-O 3.11Å; F1125-A1187 VanDerWaalsContact CE2-O 3.24Å; F1125-A1187 WeakPolarHBondContact CE2-O 3.49Å; F1125-A1187 WeakPolarHBondContact CZ-O 3.15Å; L1183-A1187 VanDerWaalsContact O-CB 3.26Å; L1183-A1187 WeakPolarHBondContact O-CB 3.3Å; L1183-A1187 PolarHBondContact O-N 3.1Å; A1187-S1189 VanDerWaalsContact C-N 3.33Å; A1187-L1190 HydrophobicContact CB-CD1 4.2Å |
| 1188 | E | 86.7 | Confident | 86.3 | Confident | 161 Ų | 161 | 69.1 Ų | 69.1 | 75% | 0.752 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -66.9 | -33.6 | 173.1 | -59.9 | -173.6 | 156 | 0 | 0 | 112.8 | R1119 H1186 | R1119-E1188 VanDerWaalsContact CB-O 3.28Å; R1119-E1188 WeakPolarHBondContact CB-O 3.5Å; R1119-E1188 PolarHBondContact N-O 3.38Å; H1186-E1188 PolarHBondContact O-N 3.19Å |
| 1189 | S | 88.6 | Confident | 84.8 | Confident | 52 Ų | 52 | 70.1 Ų | 70.1 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 130.4 | -178.6 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | Q1116 L1117 A1187 | Q1116-S1189 PolarHBondContact NE2-OG 3.49Å; Q1116-S1189 VanDerWaalsContact NE2-OG 3.14Å; L1117-S1189 WeakPolarHBondContact O-CA 3.29Å; A1187-S1189 VanDerWaalsContact C-N 3.33Å |
| 1190 | L | 91.4 | Very high | 82.8 | Confident | 7 Ų | 7 | 71.9 Ų | 71.9 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 112.9 | -170.7 | -167.2 | 85.8 | 0 | 0 | 0 | 109.8 | Q1116 L1117 F1125 F1127 V1167 L1184 A1187 I1192 | Q1116-L1190 WeakPolarHBondContact CA-O 3.37Å; L1117-L1190 PolarHBondContact N-O 3.25Å; L1117-L1190 PolarHBondContact O-N 2.96Å; F1125-L1190 HydrophobicContact CE1-CB 3.98Å; F1125-L1190 HydrophobicContact CE2-CB 4.15Å; F1125-L1190 HydrophobicContact CE2-CD2 4.47Å; F1125-L1190 HydrophobicContact CZ-CB 3.57Å; F1127-L1190 HydrophobicContact CZ-CD2 4.41Å; V1167-L1190 HydrophobicContact CG1-CD1 3.9Å; V1167-L1190 HydrophobicContact CG1-CG 4.5Å; L1184-L1190 HydrophobicContact CD2-CD1 4.32Å; L1184-L1190 HydrophobicContact CD2-CD2 3.51Å; A1187-L1190 HydrophobicContact CB-CD1 4.2Å; L1190-I1192 HydrophobicContact CD2-CG2 3.53Å; L1190-I1192 HydrophobicContact CG-CG2 3.81Å |
| 1191 | S | 93 | Very high | 80.4 | Confident | 29 Ų | 29 | 77.2 Ų | 77.2 | 20% | 0.203 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 125.9 | 167.9 | -167.8 | 0 | 0 | 0 | 0 | 108.9 | Q1114 L1115 G1168 | Q1114-S1191 PolarHBondContact NE2-OG 3.24Å; L1115-S1191 CarbonylContact O-C 3.57Å; L1115-S1191 WeakPolarHBondContact O-CA 3.44Å; G1168-S1191 PolarHBondContact N-O 3.36Å |
| 1192 | I | 93.7 | Very high | 77.8 | Confident | 2 Ų | 2 | 77.3 Ų | 77.3 | 1% | 0.01 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 141.2 | 176.9 | 58.4 | 174.4 | 0 | 0 | 0 | 111.2 | Q1114 L1115 L1117 L1158 I1164 E1166 V1167 L1190 V1194 | Q1114-I1192 CarbonylContact C-O 3.53Å; Q1114-I1192 WeakPolarHBondContact CA-O 3.45Å; L1115-I1192 HydrophobicContact CB-CG1 3.96Å; L1115-I1192 HydrophobicContact CD1-CD1 4.31Å; L1115-I1192 HydrophobicContact CD1-CG1 4.42Å; L1115-I1192 HydrophobicContact CG-CG1 4.47Å; L1115-I1192 PolarHBondContact N-O 3.07Å; L1115-I1192 PolarHBondContact O-N 3.09Å; L1117-I1192 HydrophobicContact CD1-CD1 3.78Å; L1117-I1192 HydrophobicContact CD1-CG1 4.48Å; L1117-I1192 HydrophobicContact CG-CD1 4.34Å; L1158-I1192 HydrophobicContact CD1-CD1 4.44Å; L1158-I1192 HydrophobicContact CD2-CD1 4.5Å; I1164-I1192 HydrophobicContact CD1-CD1 4.48Å; I1164-I1192 HydrophobicContact CG2-CB 4.22Å; I1164-I1192 HydrophobicContact CG2-CG2 4.32Å; E1166-I1192 CarbonylContact O-C 3.52Å; E1166-I1192 VanDerWaalsContact O-CA 3.26Å; E1166-I1192 WeakPolarHBondContact O-CA 3.49Å; V1167-I1192 HydrophobicContact CG1-CG2 4.42Å; V1167-I1192 HydrophobicContact CG2-CG2 4.1Å; L1190-I1192 HydrophobicContact CD2-CG2 3.53Å; L1190-I1192 HydrophobicContact CG-CG2 3.81Å; I1192-V1194 HydrophobicContact CB-CG2 4.33Å; I1192-V1194 HydrophobicContact CD1-CG2 3.66Å; I1192-V1194 HydrophobicContact CG1-CG2 3.79Å |
| 1193 | R | 93.6 | Very high | 77.4 | Confident | 47 Ų | 47 | 76.3 Ų | 76.3 | 18% | 0.177 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 122.3 | 170 | -169.4 | 179.3 | -174.1 | 172.8 | 8.9 | 109.1 | F1108 D1110 T1112 L1165 E1166 | F1108-R1193 HydrophobicContact CD2-CG 4.24Å; F1108-R1193 VanDerWaalsContact CD2-NE 3.33Å; F1108-R1193 HydrophobicContact CE2-CG 4.03Å; D1110-R1193 IonicContact OD1-NH2 3.88Å; D1110-R1193 IonicContact OD2-CZ 2.97Å; D1110-R1193 IonicContact OD2-NE 3.34Å; D1110-R1193 IonicContact OD2-NH2 2.82Å; D1110-R1193 PolarHBondContact OD2-NH2 3.21Å; T1112-R1193 PolarHBondContact OG1-NE 3.41Å; T1112-R1193 PolarHBondContact OG1-NH2 3.39Å; L1165-R1193 PolarHBondContact N-O 2.61Å; E1166-R1193 HydrophobicContact CB-CB 3.74Å; E1166-R1193 HydrophobicContact CG-CB 4.09Å; E1166-R1193 PolarHBondContact O-N 3.47Å; E1166-R1193 WeakPolarHBondContact OE1-CD 3.39Å; E1166-R1193 IonicContact OE1-CZ 3.04Å; E1166-R1193 IonicContact OE1-NE 3.49Å; E1166-R1193 IonicContact OE1-NH1 2.69Å; E1166-R1193 PolarHBondContact OE1-NH1 3.38Å; E1166-R1193 VanDerWaalsContact OE2-CD 3.28Å; E1166-R1193 WeakPolarHBondContact OE2-CD 3.25Å |
| 1194 | V | 93.4 | Very high | 76.9 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 125 | -170.2 | -175.6 | 0 | 0 | 0 | 0 | 110.5 | T1112 S1113 L1115 L1158 D1162 E1163 I1164 I1192 R1196 | T1112-V1194 CarbonylContact C-O 3.59Å; T1112-V1194 WeakPolarHBondContact CA-O 3.4Å; S1113-V1194 PolarHBondContact N-O 2.85Å; S1113-V1194 PolarHBondContact O-N 3.25Å; L1115-V1194 HydrophobicContact CD1-CB 4.42Å; L1115-V1194 HydrophobicContact CD1-CG2 3.8Å; L1115-V1194 HydrophobicContact CG-CG2 4.2Å; L1158-V1194 HydrophobicContact CD1-CG1 3.97Å; L1158-V1194 HydrophobicContact CD1-CG2 4.07Å; D1162-V1194 HydrophobicContact CB-CG1 3.76Å; E1163-V1194 CarbonylContact O-C 3.57Å; E1163-V1194 VanDerWaalsContact O-CA 3.29Å; E1163-V1194 WeakPolarHBondContact O-CA 3.28Å; I1164-V1194 HydrophobicContact CG1-CG2 4.38Å; I1192-V1194 HydrophobicContact CB-CG2 4.33Å; I1192-V1194 HydrophobicContact CD1-CG2 3.66Å; I1192-V1194 HydrophobicContact CG1-CG2 3.79Å; V1194-R1196 HydrophobicContact CG1-CG 4.48Å |
| 1195 | L | 90.9 | Very high | 76.3 | Confident | 42 Ų | 42 | 80.2 Ų | 80.2 | 22% | 0.22 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 116.1 | 159.2 | -176.5 | 69.3 | 0 | 0 | 0 | 108.5 | T1112 E1163 L1165 | T1112-L1195 HydrophobicContact CG2-CB 4.1Å; T1112-L1195 HydrophobicContact CG2-CD1 3.97Å; E1163-L1195 HydrophobicContact CB-CB 4.27Å; E1163-L1195 PolarHBondContact N-O 3.11Å; E1163-L1195 PolarHBondContact O-N 3.4Å; E1163-L1195 WeakPolarHBondContact OE2-CD2 3.38Å; L1165-L1195 HydrophobicContact CD1-CB 4.12Å; L1165-L1195 HydrophobicContact CG-CB 4.49Å |
| 1196 | R | 86.8 | Confident | 75.8 | Confident | 91 Ų | 91 | 81.9 Ų | 81.9 | 34% | 0.343 | 42% | 0.416 | S | S | . | . | | | trans | -73.8 | 134.4 | 177.8 | -71.2 | 176.9 | 171.4 | -177.1 | -4.7 | 110.6 | G1156 L1157 D1162 V1194 R1198 | G1156-R1196 PolarHBondContact O-NH2 2.69Å; L1157-R1196 PolarHBondContact O-NH2 3.43Å; D1162-R1196 VanDerWaalsContact OD1-CA 3.26Å; D1162-R1196 WeakPolarHBondContact OD1-CA 3.43Å; V1194-R1196 HydrophobicContact CG1-CG 4.48Å; R1196-R1198 PolarHBondContact O-N 3.49Å |
| 1197 | Q | 76.1 | Confident | 75.3 | Confident | 116 Ų | 116 | 78.3 Ų | 78.3 | 54% | 0.542 | 40% | 0.401 | S | S | . | . | | | trans | -64 | 111.5 | 165.5 | -79 | -168.3 | 2.9 | 0 | 0 | 108.1 | G1161 D1162 | G1161-Q1197 VanDerWaalsContact O-CG 3.25Å; G1161-Q1197 WeakPolarHBondContact O-CG 3.19Å; G1161-Q1197 PolarHBondContact O-NE2 2.65Å; D1162-Q1197 PolarHBondContact OD1-N 2.62Å |
| 1198 | R | 60.1 | Low | 74.5 | Confident | 218 Ų | 218 | 81.6 Ų | 81.6 | 82% | 0.823 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 131.5 | 162 | -63.1 | -175 | -172.4 | -175.4 | 4.2 | 106 | R1196 V1200 | R1196-R1198 PolarHBondContact O-N 3.49Å; R1198-V1200 PolarHBondContact O-N 3.17Å |
| 1199 | P | 54.8 | Low | 73.7 | Confident | 102 Ų | 102 | 75.9 Ų | 75.9 | 66% | 0.662 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -52 | 123.2 | 163.3 | -20.4 | 31.8 | 0 | 0 | 0 | 106.9 | | |
| 1200 | V | 41.4 | Very low | 72.5 | Confident | 118 Ų | 118 | 77.8 Ų | 77.8 | 72% | 0.715 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 126.3 | 165.2 | 179 | 0 | 0 | 0 | 0 | 105.2 | R1198 Q1202 | R1198-V1200 PolarHBondContact O-N 3.17Å; V1200-Q1202 VanDerWaalsContact C-N 3.33Å; V1200-Q1202 PolarHBondContact O-N 3.35Å |
| 1201 | P | 36.2 | Very low | 70.9 | Confident | 116 Ų | 116 | 83.7 Ų | 83.7 | 75% | 0.753 | 42% | 0.419 | S | S | * | . | | | trans | -60.5 | 106.3 | 170 | 25.9 | -31.1 | 0 | 0 | 0 | 105.7 | | |
| 1202 | Q | 31.3 | Very low | 68.9 | Low | 123 Ų | 123 | 88.6 Ų | 88.6 | 58% | 0.575 | 44% | 0.438 | S | S | * | . | | | trans | -60.9 | 0 | -175 | -78.3 | -162.8 | -113.6 | 0 | 0 | 110.2 | F445 D449 V1200 | F445-Q1202 WeakPolarHBondContact CD1-O 3.3Å; F445-Q1202 WeakPolarHBondContact CE1-O 3.26Å; F445-Q1202 WeakPolarHBondContact CE1-OXT 3.24Å; F445-Q1202 WeakPolarHBondContact CZ-OXT 3.32Å; D449-Q1202 PolarHBondContact OD1-NE2 3.21Å; D449-Q1202 PolarHBondContact OD1-OE1 3.47Å; V1200-Q1202 VanDerWaalsContact C-N 3.33Å; V1200-Q1202 PolarHBondContact O-N 3.35Å |