| 1 | M | 51 | Low | 45.5 | Very low | 247 Ų | 247 | 146 Ų | 146 | 100% | 1.217 | 84% | 0.844 | S | S | * | * | | | | 0 | 90.5 | 0 | -72.6 | 148.1 | 79.4 | 0 | 0 | 107.8 | | |
| 2 | S | 42.8 | Very low | 45.2 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 78% | 0.783 | 84% | 0.837 | S | S | * | * | | | trans | -76.4 | 148.6 | 178.8 | -39.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 3 | R | 48.9 | Very low | 44.9 | Very low | 249 Ų | 249 | 146.8 Ų | 146.8 | 94% | 0.94 | 84% | 0.836 | S | S | * | * | | | trans | -165.8 | 68.8 | 153.9 | -112.1 | 167.3 | -170.8 | -166.1 | 1.1 | 112.4 | | |
| 4 | D | 48.1 | Very low | 44.7 | Very low | 150 Ų | 150 | 145.6 Ų | 145.6 | 80% | 0.802 | 83% | 0.834 | S | S | * | * | | | trans | -61.8 | 140.6 | 142.2 | -62.3 | -89.9 | 0 | 0 | 0 | 109.8 | | |
| 5 | R | 49.7 | Very low | 44.6 | Very low | 239 Ų | 239 | 147.7 Ų | 147.7 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | | | trans | -174.7 | 161.8 | 148.7 | -111.6 | -172.9 | -178.3 | -122.6 | -2.1 | 111.6 | | |
| 6 | P | 54.4 | Low | 44.2 | Very low | 108 Ų | 108 | 147.3 Ų | 147.3 | 70% | 0.701 | 84% | 0.837 | S | S | * | * | | | | -131.4 | -170.8 | -103.5 | 43 | -26.6 | 0 | 0 | 0 | 113.4 | | |
| 7 | G | 45.1 | Very low | 43.9 | Very low | 69 Ų | 69 | 142.6 Ų | 142.6 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | | | trans | -85.8 | 157 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 8 | S | 44 | Very low | 44.6 | Very low | 128 Ų | 128 | 141 Ų | 141 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | | | trans | -167.2 | 148.8 | 158.3 | -71.8 | 0 | 0 | 0 | 0 | 105.5 | | |
| 9 | G | 38.7 | Very low | 44.2 | Very low | 70 Ų | 70 | 142.6 Ų | 142.6 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | | | cis | 141.3 | 106.1 | 5.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 10 | D | 38.1 | Very low | 43.9 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | | | trans | 56.7 | 155.5 | 166.6 | -101 | -74.9 | 0 | 0 | 0 | 122.1 | | |
| 11 | G | 40.1 | Very low | 43.6 | Very low | 72 Ų | 72 | 137.8 Ų | 137.8 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | | | trans | 159.8 | 39.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 12 | V | 41.8 | Very low | 43.1 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | | | trans | -65.9 | 139.5 | 166.5 | -81 | 0 | 0 | 0 | 0 | 111.1 | | |
| 13 | Q | 40.4 | Very low | 43.1 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | | | trans | -144.8 | 91.6 | 166.8 | -155 | 154.4 | 107.1 | 0 | 0 | 111.6 | | |
| 14 | T | 42.5 | Very low | 42.7 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | | | trans | -73.1 | 137.1 | 159.6 | 29.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 15 | M | 43 | Very low | 42 | Very low | 176 Ų | 176 | 133.6 Ų | 133.6 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | | | trans | -114.4 | 135.6 | 158.2 | -84.2 | -162.4 | -172.8 | 0 | 0 | 109.2 | | |
| 16 | V | 38.7 | Very low | 41.3 | Very low | 142 Ų | 142 | 126.4 Ų | 126.4 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | | | trans | -136.5 | 131.7 | 179.5 | 166.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 17 | G | 38.8 | Very low | 40.2 | Very low | 67 Ų | 67 | 124.7 Ų | 124.7 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | | | trans | 78.7 | 172 | 158.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 18 | P | 56.9 | Low | 39.7 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | | | cis | -105.7 | -162 | -4.6 | 44.2 | -35.1 | 0 | 0 | 0 | 110.9 | | |
| 19 | E | 35.9 | Very low | 39.3 | Very low | 172 Ų | 172 | 125.3 Ų | 125.3 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | cis | -153 | -170.5 | 2.4 | -146.7 | 149.5 | 120.5 | 0 | 0 | 112.5 | | |
| 20 | S | 39.3 | Very low | 39.2 | Very low | 106 Ų | 106 | 126 Ų | 126 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | | | trans | -32.1 | 156.7 | 169.3 | 57.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 21 | G | 37.3 | Very low | 39.2 | Very low | 78 Ų | 78 | 126.2 Ų | 126.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | 161.2 | 69.1 | 155.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 22 | E | 40.3 | Very low | 39.1 | Very low | 174 Ų | 174 | 130.3 Ų | 130.3 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | trans | -69.4 | 135.3 | 167.7 | -178.4 | -164.3 | 143.3 | 0 | 0 | 111 | | |
| 23 | M | 42.6 | Very low | 38.8 | Very low | 180 Ų | 180 | 134.7 Ų | 134.7 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | | | trans | -169.5 | 158.3 | 141.4 | -109.7 | -179.7 | 71.7 | 0 | 0 | 112.9 | | |
| 24 | L | 41.4 | Very low | 38.7 | Very low | 149 Ų | 149 | 132.6 Ų | 132.6 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | | | trans | -107.1 | 175.7 | -167.3 | -62.2 | 159 | 0 | 0 | 0 | 112.5 | | |
| 25 | D | 33.1 | Very low | 38.4 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | | | trans | 94.8 | 154.4 | 151.8 | -153.6 | 31 | 0 | 0 | 0 | 119.5 | | |
| 26 | A | 34.8 | Very low | 37.9 | Very low | 88 Ų | 88 | 132.5 Ų | 132.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | -101.6 | 177.2 | -163.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 27 | G | 30.7 | Very low | 37.7 | Very low | 72 Ų | 72 | 132.3 Ų | 132.3 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | | | trans | 119.3 | 144.8 | 141.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 28 | A | 34.6 | Very low | 37.6 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 88% | 0.884 | 79% | 0.787 | S | S | * | * | | | trans | 65.4 | 104.3 | 153.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 29 | A | 37 | Very low | 36.6 | Very low | 102 Ų | 102 | 132 Ų | 132 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | -40.4 | 148.6 | 153.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 30 | A | 35.4 | Very low | 36.9 | Very low | 86 Ų | 86 | 129.4 Ų | 129.4 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | trans | -156.7 | 118.5 | 142 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 31 | E | 37.8 | Very low | 36.9 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | | | trans | 24 | 140.8 | 143.8 | -29.4 | -178.1 | 110.2 | 0 | 0 | 120.5 | | |
| 32 | K | 39.1 | Very low | 36.9 | Very low | 159 Ų | 159 | 138 Ų | 138 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | | | | 167.7 | 154.9 | 62.5 | 54.2 | -137.3 | 144.1 | -153.4 | 0 | 113.5 | | |
| 33 | R | 36.2 | Very low | 37.1 | Very low | 218 Ų | 218 | 136.6 Ų | 136.6 | 82% | 0.823 | 79% | 0.785 | S | S | * | * | | | trans | 67.2 | 146.4 | 147.7 | -58.4 | -113.7 | 174.2 | 86.8 | 6.2 | 116.8 | | |
| 34 | L | 36.9 | Very low | 36.9 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | | | cis | -146.7 | 152.1 | -14 | -75.3 | 127.4 | 0 | 0 | 0 | 104.8 | | |
| 35 | F | 36.8 | Very low | 36.7 | Very low | 195 Ų | 195 | 133.8 Ų | 133.8 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | | | | -172 | 166.3 | 67.5 | -109.1 | -85.7 | 0 | 0 | 0 | 109.7 | | |
| 36 | S | 33.2 | Very low | 36.9 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | -126.7 | -177.8 | 178 | -174.6 | 0 | 0 | 0 | 0 | 111 | | |
| 37 | V | 34.5 | Very low | 37.2 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | | | trans | 87.7 | 133.8 | 173.4 | 171.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 38 | A | 35.1 | Very low | 37.5 | Very low | 86 Ų | 86 | 137.9 Ų | 137.9 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | cis | -167.9 | 167.4 | -19.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 39 | A | 36.5 | Very low | 37.8 | Very low | 88 Ų | 88 | 141.6 Ų | 141.6 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | 12.9 | 130.9 | 150.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 40 | S | 42.3 | Very low | 38 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | | 74.7 | 116.5 | 55.7 | -57.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 41 | R | 38.6 | Very low | 38 | Very low | 238 Ų | 238 | 146.7 Ų | 146.7 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | | | trans | 153.4 | 154.3 | 156.3 | -93.9 | 172.6 | 164.9 | 163.9 | -3.2 | 110.7 | | |
| 42 | D | 38.5 | Very low | 39.3 | Very low | 127 Ų | 127 | 143.9 Ų | 143.9 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | | | cis | -164.9 | 146.1 | -27.5 | -136.4 | -101 | 0 | 0 | 0 | 110.4 | | |
| 43 | L | 44.7 | Very low | 40 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | | | trans | 22.6 | 161.2 | 154.7 | -66.2 | 178.3 | 0 | 0 | 0 | 127.4 | | |
| 44 | Q | 37 | Very low | 40.6 | Very low | 187 Ų | 187 | 137.3 Ų | 137.3 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | | | trans | 84.7 | 157.5 | 159.6 | -68.7 | 171.5 | 19.3 | 0 | 0 | 120.1 | | |
| 45 | A | 37.7 | Very low | 41.4 | Very low | 84 Ų | 84 | 138 Ų | 138 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | | | cis | 179.5 | 161 | -49.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 46 | V | 38 | Very low | 41.8 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | | | trans | 75 | 100.4 | 163.9 | -175.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 47 | E | 41 | Very low | 42.7 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | | | | 62.7 | 133.6 | 117.5 | -132.9 | -176.5 | 103.1 | 0 | 0 | 126.2 | | |
| 48 | N | 36.6 | Very low | 43.5 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 63% | 0.631 | 77% | 0.772 | S | S | * | * | | | trans | 72.8 | 110.6 | 147 | -99.3 | -41.2 | 0 | 0 | 0 | 123.3 | | |
| 49 | H | 41.2 | Very low | 44.1 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | | -176 | 154.3 | 112.2 | -101.2 | -62.9 | 0 | 0 | 0 | 116.5 | | |
| 50 | T | 40.6 | Very low | 44.7 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | | | trans | -53.2 | 142 | -176 | -47.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 51 | E | 35.5 | Very low | 44.7 | Very low | 178 Ų | 178 | 144.5 Ų | 144.5 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | | 155.5 | 141.2 | 119.8 | -160.2 | 166.4 | 132.5 | 0 | 0 | 114.2 | | |
| 52 | P | 65.2 | Low | 44.9 | Very low | 106 Ų | 106 | 136 Ų | 136 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | | | trans | -105.3 | 160.6 | -178.7 | 40.9 | -34.2 | 0 | 0 | 0 | 114 | | |
| 53 | P | 54 | Low | 45.4 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | | | | -159.6 | -156.2 | 87.7 | 44.7 | -23.3 | 0 | 0 | 0 | 112.9 | | |
| 54 | P | 49.1 | Very low | 45.4 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | | | cis | -121.7 | 172 | -20 | 39.6 | -24.9 | 0 | 0 | 0 | 114.6 | | |
| 55 | V | 53.3 | Low | 45.7 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 125.5 | 175.5 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 56 | L | 45.6 | Very low | 46.4 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 127.9 | 172 | -157.7 | 73.6 | 0 | 0 | 0 | 110.8 | | |
| 57 | A | 52.2 | Low | 46.9 | Very low | 82 Ų | 82 | 138.9 Ų | 138.9 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 149.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 58 | P | 51.7 | Low | 47.9 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 145.2 | 177.8 | 29.4 | -34.8 | 0 | 0 | 0 | 111.8 | | |
| 59 | P | 47.4 | Very low | 48.9 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 141.9 | -175.4 | 28.5 | -34.7 | 0 | 0 | 0 | 113 | Q61 | P59-Q61 PolarHBondContact O-N 3.44Š|
| 60 | Q | 48 | Very low | 49.4 | Very low | 194 Ų | 194 | 135 Ų | 135 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 130.2 | 172.8 | -78.1 | -85 | 41.5 | 0 | 0 | 112.1 | | |
| 61 | Q | 42.1 | Very low | 51 | Low | 188 Ų | 188 | 132.3 Ų | 132.3 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 124.8 | 177.1 | -68.3 | -174.8 | -6.7 | 0 | 0 | 111.5 | P59 | P59-Q61 PolarHBondContact O-N 3.44Š|
| 62 | G | 43.2 | Very low | 52.6 | Low | 59 Ų | 59 | 128.7 Ų | 128.7 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | | | trans | -69.8 | 174.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G64 | G62-G64 PolarHBondContact O-N 3.46Å; G62-G64 VanDerWaalsContact O-N 3.13Å |
| 63 | P | 49.8 | Very low | 52.8 | Low | 136 Ų | 136 | 129.9 Ų | 129.9 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -73.3 | 108.8 | -161.1 | 28 | -35.5 | 0 | 0 | 0 | 114.4 | | |
| 64 | G | 44.7 | Very low | 53.7 | Low | 68 Ų | 68 | 126.3 Ų | 126.3 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | | | trans | 71.7 | 49 | 134.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | G62 R66 | G62-G64 PolarHBondContact O-N 3.46Å; G62-G64 VanDerWaalsContact O-N 3.13Å; G64-R66 PolarHBondContact O-N 3.23Å |
| 65 | H | 43.1 | Very low | 55 | Low | 176 Ų | 176 | 124.8 Ų | 124.8 | 82% | 0.815 | 71% | 0.712 | S | S | * | * | | | trans | -62.6 | 103.1 | 160 | -70.5 | -85.7 | 0 | 0 | 0 | 110 | T67 | H65-T67 PolarHBondContact O-N 3.41Š|
| 66 | R | 52 | Low | 55.8 | Low | 249 Ų | 249 | 124.5 Ų | 124.5 | 94% | 0.94 | 70% | 0.704 | S | S | * | * | | | trans | -67.6 | 76.8 | 165.9 | -83.2 | -176.7 | 169 | -102.8 | 0.4 | 109.8 | G64 T68 | G64-R66 PolarHBondContact O-N 3.23Å; R66-T68 PolarHBondContact O-N 3.46Å |
| 67 | T | 48.9 | Very low | 57.2 | Low | 106 Ų | 106 | 119.5 Ų | 119.5 | 65% | 0.65 | 68% | 0.678 | S | S | * | * | | | trans | -64.3 | 128.3 | 161 | 62.6 | 0 | 0 | 0 | 0 | 107.1 | H65 S69 | H65-T67 PolarHBondContact O-N 3.41Å; T67-S69 PolarHBondContact O-N 3.13Å |
| 68 | T | 61.4 | Low | 57.7 | Low | 139 Ų | 139 | 120.2 Ų | 120.2 | 85% | 0.853 | 68% | 0.676 | S | S | * | * | | | trans | -82.6 | 70.2 | 167.5 | 47.8 | 0 | 0 | 0 | 0 | 107 | R66 F70 | R66-T68 PolarHBondContact O-N 3.46Å; T68-F70 VanDerWaalsContact C-N 3.3Å; T68-F70 PolarHBondContact O-N 3.39Å |
| 69 | S | 57.4 | Low | 58.2 | Low | 86 Ų | 86 | 119.6 Ų | 119.6 | 60% | 0.601 | 67% | 0.666 | S | S | * | * | | | trans | -65.7 | 91.1 | 176.8 | 43.2 | 0 | 0 | 0 | 0 | 109.2 | T67 S71 | T67-S69 PolarHBondContact O-N 3.13Å; S69-S71 PolarHBondContact O-N 2.79Å |
| 70 | F | 53 | Low | 58.9 | Low | 160 Ų | 160 | 118.4 Ų | 118.4 | 70% | 0.702 | 65% | 0.649 | S | S | * | * | | | trans | -72.6 | 81.4 | 172 | -166.6 | -99.6 | 0 | 0 | 0 | 108.4 | T68 I75 | T68-F70 VanDerWaalsContact C-N 3.3Å; T68-F70 PolarHBondContact O-N 3.39Å; F70-I75 HydrophobicContact CE1-CD1 3.7Å; F70-I75 HydrophobicContact CE1-CG1 3.89Å; F70-I75 HydrophobicContact CZ-CD1 4.15Å; F70-I75 HydrophobicContact CZ-CG1 3.89Å |
| 71 | S | 74.2 | Confident | 59.2 | Low | 59 Ų | 59 | 117.2 Ų | 117.2 | 41% | 0.413 | 64% | 0.641 | S | S | . | * | | | trans | -75.1 | 140.7 | 179.9 | -167.3 | 0 | 0 | 0 | 0 | 109.7 | S69 L73 D74 | S69-S71 PolarHBondContact O-N 2.79Å; S71-L73 PolarHBondContact O-N 2.74Å; S71-L73 VanDerWaalsContact O-N 3.12Å; S71-D74 VanDerWaalsContact O-CB 3.24Å; S71-D74 WeakPolarHBondContact O-CB 3.42Å; S71-D74 PolarHBondContact O-N 2.97Å |
| 72 | V | 67.8 | Low | 59.8 | Low | 102 Ų | 102 | 112.6 Ų | 112.6 | 62% | 0.618 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -28.9 | -178.1 | 177.3 | 0 | 0 | 0 | 0 | 111.9 | D74 I75 | V72-D74 PolarHBondContact O-N 2.69Å; V72-I75 WeakPolarHBondContact O-CB 3.4Å; V72-I75 PolarHBondContact O-N 3.13Å |
| 73 | L | 70.3 | Confident | 60.4 | Low | 131 Ų | 131 | 113 Ų | 113 | 69% | 0.686 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.1 | -26.2 | 175.2 | -79.9 | 67.7 | 0 | 0 | 0 | 112.9 | S71 I75 L76 D77 | S71-L73 PolarHBondContact O-N 2.74Å; S71-L73 VanDerWaalsContact O-N 3.12Å; L73-I75 PolarHBondContact O-N 3.19Å; L73-L76 PolarHBondContact O-N 3.22Å; L73-D77 PolarHBondContact O-N 3.2Å |
| 74 | D | 71.5 | Confident | 60.3 | Low | 47 Ų | 47 | 114 Ų | 114 | 25% | 0.251 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.7 | -23.6 | 176.3 | -78 | -17.8 | 0 | 0 | 0 | 113.2 | S71 V72 L76 K80 | S71-D74 VanDerWaalsContact O-CB 3.24Å; S71-D74 WeakPolarHBondContact O-CB 3.42Å; S71-D74 PolarHBondContact O-N 2.97Å; V72-D74 PolarHBondContact O-N 2.69Å; D74-L76 VanDerWaalsContact C-N 3.31Å; D74-K80 HydrophobicContact CB-CD 3.79Å; D74-K80 VanDerWaalsContact CG-CE 3.49Å; D74-K80 WeakPolarHBondContact OD1-CE 3.3Å; D74-K80 IonicContact OD1-NZ 3.48Å; D74-K80 PolarHBondContact OD1-NZ 3.48Å; D74-K80 IonicContact OD2-NZ 3.64Å; D74-K80 PolarHBondContact OD2-NZ 3.03Å |
| 75 | I | 76.8 | Confident | 60.3 | Low | 86 Ų | 86 | 121.8 Ų | 121.8 | 44% | 0.441 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -77 | -26 | 180 | -49.6 | 174.5 | 0 | 0 | 0 | 110.2 | F70 V72 L73 | F70-I75 HydrophobicContact CE1-CD1 3.7Å; F70-I75 HydrophobicContact CE1-CG1 3.89Å; F70-I75 HydrophobicContact CZ-CD1 4.15Å; F70-I75 HydrophobicContact CZ-CG1 3.89Å; V72-I75 WeakPolarHBondContact O-CB 3.4Å; V72-I75 PolarHBondContact O-N 3.13Å; L73-I75 PolarHBondContact O-N 3.19Å |
| 76 | L | 71.4 | Confident | 60.3 | Low | 140 Ų | 140 | 123.6 Ų | 123.6 | 73% | 0.733 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -100.3 | -6.6 | -174 | -61.8 | 175.8 | 0 | 0 | 0 | 113.6 | L73 D74 P78 | L73-L76 PolarHBondContact O-N 3.22Å; D74-L76 VanDerWaalsContact C-N 3.31Å; L76-P78 VanDerWaalsContact O-CD 3.25Å; L76-P78 WeakPolarHBondContact O-CD 3.3Å |
| 77 | D | 74.9 | Confident | 60 | Low | 61 Ų | 61 | 120.4 Ų | 120.4 | 33% | 0.326 | 62% | 0.62 | S | S | . | * | | | trans | -78.1 | 111.2 | 174.6 | 177.8 | 6.2 | 0 | 0 | 0 | 111.1 | L73 N79 K80 | L73-D77 PolarHBondContact O-N 3.2Å; D77-N79 PolarHBondContact O-N 3.03Å; D77-N79 VanDerWaalsContact O-N 3.13Å; D77-N79 WeakPolarHBondContact OD1-CB 3.4Å; D77-N79 PolarHBondContact OD1-N 3.19Å; D77-N79 PolarHBondContact OD1-ND2 3.32Å; D77-K80 HydrophobicContact CB-CB 4.29Å; D77-K80 PolarHBondContact O-N 2.87Å |
| 78 | P | 62.7 | Low | 59.6 | Low | 98 Ų | 98 | 122 Ų | 122 | 64% | 0.636 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -18.1 | -179.5 | 28 | -35.6 | 0 | 0 | 0 | 113.5 | L76 | L76-P78 VanDerWaalsContact O-CD 3.25Å; L76-P78 WeakPolarHBondContact O-CD 3.3Å |
| 79 | N | 60.8 | Low | 58.2 | Low | 108 Ų | 108 | 120.6 Ų | 120.6 | 58% | 0.578 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -13.5 | -179.3 | -60.5 | -59.6 | 0 | 0 | 0 | 113.5 | D77 F81 T82 S83 | D77-N79 PolarHBondContact O-N 3.03Å; D77-N79 VanDerWaalsContact O-N 3.13Å; D77-N79 WeakPolarHBondContact OD1-CB 3.4Å; D77-N79 PolarHBondContact OD1-N 3.19Å; D77-N79 PolarHBondContact OD1-ND2 3.32Å; N79-F81 PolarHBondContact O-N 3.12Å; N79-T82 PolarHBondContact O-OG1 3.42Å; N79-S83 PolarHBondContact O-OG 2.91Å |
| 80 | K | 63 | Low | 57.5 | Low | 93 Ų | 93 | 122.1 Ų | 122.1 | 40% | 0.404 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.5 | -27.2 | -179.3 | -123.1 | 173.2 | -164.7 | -120.7 | 0 | 113.5 | D74 D77 S83 | D74-K80 HydrophobicContact CB-CD 3.79Å; D74-K80 VanDerWaalsContact CG-CE 3.49Å; D74-K80 WeakPolarHBondContact OD1-CE 3.3Å; D74-K80 IonicContact OD1-NZ 3.48Å; D74-K80 PolarHBondContact OD1-NZ 3.48Å; D74-K80 IonicContact OD2-NZ 3.64Å; D74-K80 PolarHBondContact OD2-NZ 3.03Å; D77-K80 HydrophobicContact CB-CB 4.29Å; D77-K80 PolarHBondContact O-N 2.87Å; K80-S83 PolarHBondContact O-OG 2.86Å |
| 81 | F | 54.7 | Low | 56.8 | Low | 170 Ų | 170 | 120.3 Ų | 120.3 | 75% | 0.746 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -20.5 | 178.2 | -77.6 | -85.4 | 0 | 0 | 0 | 114.3 | N79 | N79-F81 PolarHBondContact O-N 3.12Š|
| 82 | T | 55.1 | Low | 55 | Low | 90 Ų | 90 | 125.9 Ų | 125.9 | 55% | 0.552 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -24.1 | -175.3 | 60.9 | 0 | 0 | 0 | 0 | 113.6 | N79 | N79-T82 PolarHBondContact O-OG1 3.42Š|
| 83 | S | 55.2 | Low | 53.3 | Low | 68 Ų | 68 | 129.4 Ų | 129.4 | 48% | 0.476 | 67% | 0.67 | S | S | . | * | G | 310 helix | trans | -78 | -31.2 | -170.9 | 42.3 | 0 | 0 | 0 | 0 | 114.6 | N79 K80 R85 R86 | N79-S83 PolarHBondContact O-OG 2.91Å; K80-S83 PolarHBondContact O-OG 2.86Å; S83-R85 PolarHBondContact O-N 3.25Å; S83-R86 PolarHBondContact O-N 3.17Å |
| 84 | N | 46.3 | Very low | 51.6 | Low | 156 Ų | 156 | 128.8 Ų | 128.8 | 83% | 0.834 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -76.1 | 14 | -172.9 | -151.9 | 20.4 | 0 | 0 | 0 | 115.4 | | |
| 85 | R | 45 | Very low | 49.6 | Very low | 232 Ų | 232 | 131.5 Ų | 131.5 | 88% | 0.875 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -108.5 | -1.2 | 177.8 | -173.3 | 169.1 | -81.2 | -116.7 | 3.5 | 113.8 | S83 | S83-R85 PolarHBondContact O-N 3.25Š|
| 86 | R | 44.7 | Very low | 47.7 | Very low | 215 Ų | 215 | 135.8 Ų | 135.8 | 81% | 0.811 | 71% | 0.712 | S | S | * | * | | | trans | -121.4 | 45.4 | -171.8 | -56.4 | -163.9 | -159.6 | -145.6 | 9.2 | 116.4 | S83 | S83-R86 PolarHBondContact O-N 3.17Š|
| 87 | H | 45.3 | Very low | 45.8 | Very low | 181 Ų | 181 | 138.2 Ų | 138.2 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | | | trans | -129.7 | 54.8 | 171.6 | -78.9 | -63.1 | 0 | 0 | 0 | 114.6 | | |
| 88 | T | 39 | Very low | 43.7 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 87% | 0.865 | 74% | 0.735 | S | S | * | * | | | trans | -148.3 | 96.7 | 149.7 | 57.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 89 | S | 32.1 | Very low | 42.3 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | | | trans | -153.5 | 113.2 | 160.5 | 51.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 90 | P | 44.6 | Very low | 41 | Very low | 117 Ų | 117 | 149.2 Ų | 149.2 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | | | trans | -73.1 | 131.8 | 170.5 | 30.5 | -31 | 0 | 0 | 0 | 108.9 | Q92 | P90-Q92 PolarHBondContact O-N 3.21Š|
| 91 | S | 36.5 | Very low | 39.7 | Very low | 122 Ų | 122 | 152.7 Ų | 152.7 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | trans | -59.4 | 130.1 | 169.7 | -173.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 92 | Q | 36.5 | Very low | 38.6 | Very low | 176 Ų | 176 | 150.8 Ų | 150.8 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | trans | -106.8 | 131.9 | 167.8 | -75.4 | -159.8 | -4.5 | 0 | 0 | 110.4 | P90 | P90-Q92 PolarHBondContact O-N 3.21Š|
| 93 | H | 33 | Very low | 37.6 | Very low | 176 Ų | 176 | 152.1 Ų | 152.1 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | | | trans | -69.6 | 132.3 | -178.9 | -155.5 | -91.6 | 0 | 0 | 0 | 110.2 | | |
| 94 | V | 33.5 | Very low | 36.6 | Very low | 118 Ų | 118 | 153.1 Ų | 153.1 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | | | trans | -72.2 | 131.2 | 171.5 | 173.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 95 | S | 30.8 | Very low | 35.9 | Very low | 104 Ų | 104 | 155.8 Ų | 155.8 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | -150.9 | 124.3 | 159.7 | -71.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 96 | H | 36.9 | Very low | 35.2 | Very low | 176 Ų | 176 | 152.2 Ų | 152.2 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | | | trans | -71.7 | 138 | 175 | -72.8 | -111.9 | 0 | 0 | 0 | 110.3 | | |
| 97 | H | 31 | Very low | 34.8 | Very low | 192 Ų | 192 | 146.3 Ų | 146.3 | 89% | 0.889 | 79% | 0.788 | S | S | * | * | | | trans | -160.6 | 133.1 | 146.7 | -142.5 | -86.4 | 0 | 0 | 0 | 114 | | |
| 98 | G | 30.4 | Very low | 34.4 | Very low | 64 Ų | 64 | 145.7 Ų | 145.7 | 66% | 0.66 | 79% | 0.786 | S | S | * | * | | | trans | 79.6 | 102.1 | 143.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 99 | E | 34.9 | Very low | 34.1 | Very low | 199 Ų | 199 | 146.1 Ų | 146.1 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | | | trans | -62 | 147.2 | 151.1 | -60.2 | -174.7 | 137.9 | 0 | 0 | 111 | | |
| 100 | R | 32.6 | Very low | 34.5 | Very low | 234 Ų | 234 | 151.4 Ų | 151.4 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | -158.8 | 123.7 | 140.9 | -153.5 | 171.5 | 176.6 | 156.3 | -0.5 | 111 | | |
| 101 | E | 35.5 | Very low | 33.8 | Very low | 166 Ų | 166 | 157.6 Ų | 157.6 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | -59.2 | 157 | 164 | -59.6 | 177.6 | 114.9 | 0 | 0 | 111.3 | | |
| 102 | L | 31.8 | Very low | 33.7 | Very low | 130 Ų | 130 | 156.5 Ų | 156.5 | 68% | 0.681 | 79% | 0.793 | S | S | * | * | | | | 169.6 | 138.8 | 107.5 | -89.9 | 167.5 | 0 | 0 | 0 | 113.6 | | |
| 103 | I | 33.5 | Very low | 33.6 | Very low | 118 Ų | 118 | 151.8 Ų | 151.8 | 61% | 0.605 | 79% | 0.791 | S | S | * | * | | | trans | 75 | 113.6 | 145.7 | -63.8 | 161.4 | 0 | 0 | 0 | 118.3 | Y105 | I103-Y105 HydrophobicContact CG2-CD2 3.58Å; I103-Y105 HydrophobicContact CG2-CE2 3.38Å |
| 104 | A | 35 | Very low | 34.1 | Very low | 90 Ų | 90 | 149.7 Ų | 149.7 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | | | trans | -77.1 | 146.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 105 | Y | 30.9 | Very low | 33.9 | Very low | 212 Ų | 212 | 147.3 Ų | 147.3 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | | | trans | -135.7 | 101.7 | 150.6 | -84.3 | -68.7 | 0 | 0 | 0 | 108.8 | I103 | I103-Y105 HydrophobicContact CG2-CD2 3.58Å; I103-Y105 HydrophobicContact CG2-CE2 3.38Å |
| 106 | D | 30.2 | Very low | 34.2 | Very low | 157 Ų | 157 | 150.1 Ų | 150.1 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | | | trans | -78.7 | 137.7 | 157.8 | -152.8 | -38.1 | 0 | 0 | 0 | 107.7 | | |
| 107 | A | 36.9 | Very low | 34.1 | Very low | 90 Ų | 90 | 150 Ų | 150 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | | | trans | -147.3 | 73.6 | -173 | 0 | 0 | 0 | 0 | 0 | 110.4 | N109 | A107-N109 PolarHBondContact O-N 3.33Š|
| 108 | E | 36.8 | Very low | 34.3 | Very low | 169 Ų | 169 | 148.1 Ų | 148.1 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -52.3 | 119.9 | 161.8 | 177.1 | 176.9 | 179.2 | 0 | 0 | 111.1 | | |
| 109 | N | 32.1 | Very low | 34.7 | Very low | 149 Ų | 149 | 152.1 Ų | 152.1 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | | -160.7 | 148.7 | 128.4 | -135.9 | -26 | 0 | 0 | 0 | 114.9 | A107 | A107-N109 PolarHBondContact O-N 3.33Š|
| 110 | R | 41.4 | Very low | 34.9 | Very low | 220 Ų | 220 | 151.6 Ų | 151.6 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | | | trans | -84.3 | 137 | 172.6 | -51.2 | 176.4 | -176.2 | -172.7 | 1.2 | 110.4 | | |
| 111 | R | 30.6 | Very low | 35.1 | Very low | 247 Ų | 247 | 151.7 Ų | 151.7 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | | | trans | -168.4 | 138.7 | 132.8 | -118.2 | 174.9 | 178.6 | -152.4 | -2.9 | 115.9 | | |
| 112 | A | 33.8 | Very low | 35.2 | Very low | 99 Ų | 99 | 147.8 Ų | 147.8 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | 55.1 | 104.3 | 147.6 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 113 | G | 33.3 | Very low | 35.5 | Very low | 77 Ų | 77 | 149.9 Ų | 149.9 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | -115.1 | 145.9 | 142 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 114 | P | 43.4 | Very low | 35.7 | Very low | 132 Ų | 132 | 151.1 Ų | 151.1 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | | | trans | -117.7 | 144.6 | 172.5 | 37 | -26.9 | 0 | 0 | 0 | 114.3 | | |
| 115 | G | 31 | Very low | 35.7 | Very low | 69 Ų | 69 | 149.1 Ų | 149.1 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | trans | 90.3 | 141.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 116 | I | 36.1 | Very low | 35.8 | Very low | 163 Ų | 163 | 150.5 Ų | 150.5 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | cis | -139.9 | 121.9 | 4.5 | -70.9 | -67.8 | 0 | 0 | 0 | 110.1 | | |
| 117 | F | 34.6 | Very low | 36.4 | Very low | 173 Ų | 173 | 152.7 Ų | 152.7 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | | | trans | 31.2 | 128.7 | 135.1 | -108.2 | -108.9 | 0 | 0 | 0 | 121.7 | H119 | F117-H119 AromaticContact CD1-CD2 3.86Å; F117-H119 AromaticContact CE1-CD2 3.59Å; F117-H119 AromaticContact CE1-NE2 3.98Å |
| 118 | N | 34.9 | Very low | 36.4 | Very low | 152 Ų | 152 | 154.6 Ų | 154.6 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | | | trans | -125.1 | 131.5 | 166.9 | -170 | 6 | 0 | 0 | 0 | 108.3 | | |
| 119 | H | 39.7 | Very low | 36.5 | Very low | 148 Ų | 148 | 154 Ų | 154 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | | | trans | -139.7 | 104.9 | 178.6 | -122.5 | -101.6 | 0 | 0 | 0 | 108.2 | F117 | F117-H119 AromaticContact CD1-CD2 3.86Å; F117-H119 AromaticContact CE1-CD2 3.59Å; F117-H119 AromaticContact CE1-NE2 3.98Å |
| 120 | Y | 39.6 | Very low | 36.6 | Very low | 189 Ų | 189 | 152.2 Ų | 152.2 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | | | | 62.5 | 113.6 | 91.2 | -115.6 | -79.8 | 0 | 0 | 0 | 115.3 | | |
| 121 | Y | 36.8 | Very low | 36.3 | Very low | 235 Ų | 235 | 146.8 Ų | 146.8 | 92% | 0.922 | 80% | 0.797 | S | S | * | * | | | trans | -145.8 | 122.1 | 149.4 | -117.8 | -81.5 | 0 | 0 | 0 | 110.7 | | |
| 122 | S | 36.1 | Very low | 36.6 | Very low | 84 Ų | 84 | 141.5 Ų | 141.5 | 59% | 0.587 | 79% | 0.786 | S | S | * | * | | | trans | -90.9 | 138.8 | 167.1 | -86.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 123 | H | 38.9 | Very low | 36.8 | Very low | 174 Ų | 174 | 145.1 Ų | 145.1 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | | | | 87.4 | 104.3 | 63.5 | -156.5 | 95.5 | 0 | 0 | 0 | 114.1 | | |
| 124 | V | 37.8 | Very low | 37.2 | Very low | 145 Ų | 145 | 150.8 Ų | 150.8 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | | | trans | -154.8 | 137.8 | 153.3 | -79.2 | 0 | 0 | 0 | 0 | 107 | | |
| 125 | G | 35.5 | Very low | 36.8 | Very low | 48 Ų | 48 | 152.2 Ų | 152.2 | 50% | 0.495 | 79% | 0.785 | S | S | . | * | | | cis | 129.4 | 84.8 | -14.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 126 | Y | 32.7 | Very low | 37 | Very low | 240 Ų | 240 | 154 Ų | 154 | 94% | 0.941 | 78% | 0.781 | S | S | * | * | | | trans | -144.8 | 148.2 | 157.1 | -79.3 | -66.5 | 0 | 0 | 0 | 111.9 | | |
| 127 | K | 42.6 | Very low | 36.9 | Very low | 203 Ų | 203 | 151.6 Ų | 151.6 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | -111.9 | 150.2 | -174.9 | -54.5 | 174.1 | 179.1 | -178.6 | 0 | 109.7 | | |
| 128 | S | 36.2 | Very low | 37 | Very low | 131 Ų | 131 | 147.9 Ų | 147.9 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | | | trans | -147.6 | 135.4 | 154.3 | -72.1 | 0 | 0 | 0 | 0 | 110 | | |
| 129 | D | 38.8 | Very low | 37 | Very low | 155 Ų | 155 | 145.1 Ų | 145.1 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | | | trans | -113.7 | 131.7 | 176.5 | -174.4 | -34.5 | 0 | 0 | 0 | 107.9 | | |
| 130 | S | 34 | Very low | 36.9 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | | | trans | -165 | 118.4 | 147.9 | 64.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 131 | S | 36.2 | Very low | 36.9 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | | | trans | -62.3 | 154.3 | 155.6 | -174.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 132 | L | 36.4 | Very low | 36.9 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | | | | 158.5 | 122.7 | 123.6 | -162.2 | 69.5 | 0 | 0 | 0 | 114.5 | | |
| 133 | K | 38.5 | Very low | 36.8 | Very low | 175 Ų | 175 | 142.2 Ų | 142.2 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | | | trans | 46.2 | 112.6 | 149.9 | -64.8 | 173.4 | -178.9 | 179.9 | 0 | 122.2 | Q135 | K133-Q135 PolarHBondContact O-N 3.21Š|
| 134 | Q | 41.6 | Very low | 36.5 | Very low | 195 Ų | 195 | 142.4 Ų | 142.4 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | | | | -28.1 | 121.1 | 128.1 | 175.7 | 176.3 | 77.6 | 0 | 0 | 114.8 | | |
| 135 | Q | 35.3 | Very low | 36.5 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | -153.9 | 141.6 | 157.8 | -165.1 | 66.4 | 60.6 | 0 | 0 | 111.7 | K133 | K133-Q135 PolarHBondContact O-N 3.21Š|
| 136 | T | 33.9 | Very low | 36.6 | Very low | 105 Ų | 105 | 148.5 Ų | 148.5 | 64% | 0.644 | 79% | 0.791 | S | S | * | * | | | trans | -59.3 | 146.5 | 177.2 | 51.5 | 0 | 0 | 0 | 0 | 116 | | |
| 137 | S | 35.5 | Very low | 36.6 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | | 159.5 | 140.3 | 103.6 | 55.7 | 0 | 0 | 0 | 0 | 116.6 | | |
| 138 | A | 36 | Very low | 36.6 | Very low | 94 Ų | 94 | 142.2 Ų | 142.2 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | | | trans | 48.3 | 118.1 | 143.4 | 0 | 0 | 0 | 0 | 0 | 124.5 | | |
| 139 | A | 34.3 | Very low | 37.4 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | 65.5 | 153.6 | 137.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 140 | I | 38.2 | Very low | 37.7 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | cis | -142.1 | 142.9 | 27.4 | -71.2 | 171.4 | 0 | 0 | 0 | 112.2 | | |
| 141 | K | 38.9 | Very low | 38.2 | Very low | 188 Ų | 188 | 143.2 Ų | 143.2 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | | | trans | -0.5 | 129.7 | 154.1 | -50.8 | 168.5 | -176.6 | 177.1 | 0 | 120.4 | | |
| 142 | D | 36.7 | Very low | 38.3 | Very low | 152 Ų | 152 | 147.8 Ų | 147.8 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | | -157.6 | 127.2 | 111.3 | -109.7 | -47.8 | 0 | 0 | 0 | 107.8 | | |
| 143 | S | 33.9 | Very low | 38.6 | Very low | 101 Ų | 101 | 148.3 Ų | 148.3 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | | 53.9 | 123.5 | 99.6 | -150.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 144 | F | 34.1 | Very low | 38.4 | Very low | 179 Ų | 179 | 148.8 Ų | 148.8 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | cis | -160.6 | 127.8 | 30.7 | 178.6 | -101.4 | 0 | 0 | 0 | 113.3 | | |
| 145 | V | 38.2 | Very low | 38.8 | Very low | 97 Ų | 97 | 147.5 Ų | 147.5 | 59% | 0.588 | 77% | 0.765 | S | S | * | * | | | trans | 36.2 | 113.4 | 144.5 | -170.4 | 0 | 0 | 0 | 0 | 121 | R147 | V145-R147 HydrophobicContact CG1-CB 4.15Š|
| 146 | Y | 36.7 | Very low | 38.8 | Very low | 223 Ų | 223 | 150.1 Ų | 150.1 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | | | trans | -82.7 | 136 | 147.4 | -175.9 | -96.8 | 0 | 0 | 0 | 109.1 | | |
| 147 | R | 33 | Very low | 39.1 | Very low | 225 Ų | 225 | 150.4 Ų | 150.4 | 85% | 0.849 | 78% | 0.775 | S | S | * | * | | | trans | -131.3 | 115.5 | -179.9 | -166.4 | 175.3 | -152.7 | 173.8 | 6.7 | 111.9 | V145 | V145-R147 HydrophobicContact CG1-CB 4.15Š|
| 148 | S | 41.8 | Very low | 39.1 | Very low | 87 Ų | 87 | 148.7 Ų | 148.7 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | | | trans | -146 | 134.9 | 159.2 | -152 | 0 | 0 | 0 | 0 | 107.4 | | |
| 149 | P | 54 | Low | 39.6 | Very low | 112 Ų | 112 | 150.9 Ų | 150.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -132.9 | 128.9 | 148.5 | 34 | -20.6 | 0 | 0 | 0 | 111.2 | | |
| 150 | D | 44.7 | Very low | 40.5 | Very low | 132 Ų | 132 | 151.9 Ų | 151.9 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | trans | -85.7 | 175.7 | 156.3 | -67.9 | -79.9 | 0 | 0 | 0 | 109.5 | | |
| 151 | E | 44.3 | Very low | 40.5 | Very low | 174 Ų | 174 | 151.8 Ų | 151.8 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | trans | 69.8 | 107.8 | 174.6 | -39 | -63 | 129.3 | 0 | 0 | 116.4 | | |
| 152 | E | 38.8 | Very low | 40.9 | Very low | 203 Ų | 203 | 147.3 Ų | 147.3 | 95% | 0.949 | 77% | 0.771 | S | S | * | * | | | | -169.9 | 150.1 | 110.5 | -102.5 | 177.7 | 171.8 | 0 | 0 | 112.8 | | |
| 153 | D | 42.4 | Very low | 41.1 | Very low | 147 Ų | 147 | 149.1 Ų | 149.1 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | | | trans | -81.9 | 173.2 | -172.6 | -165.9 | 1.8 | 0 | 0 | 0 | 112.5 | | |
| 154 | Y | 35.3 | Very low | 41.4 | Very low | 185 Ų | 185 | 147.6 Ų | 147.6 | 73% | 0.725 | 78% | 0.775 | S | S | * | * | | | trans | 121.5 | 132.5 | 160.8 | -80.6 | -86 | 0 | 0 | 0 | 119.1 | | |
| 155 | H | 49.1 | Very low | 42.6 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 78% | 0.778 | 77% | 0.774 | S | S | * | * | | | trans | 72.7 | 139.2 | 163.9 | -51.5 | -49.6 | 0 | 0 | 0 | 117.5 | | |
| 156 | R | 34.7 | Very low | 42.6 | Very low | 219 Ų | 219 | 147.6 Ų | 147.6 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | | | cis | 163.2 | 110.3 | -17.1 | 161.7 | 173.9 | -137.3 | -106.1 | 4.3 | 104.7 | | |
| 157 | S | 41.6 | Very low | 42.8 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | 42 | 121 | 157.7 | 63.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 158 | G | 35.5 | Very low | 43.5 | Very low | 78 Ų | 78 | 136 Ų | 136 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -178.4 | 80.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 159 | T | 45.7 | Very low | 43.5 | Very low | 139 Ų | 139 | 142.4 Ų | 142.4 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | -82.5 | 138.4 | 153.6 | 49 | 0 | 0 | 0 | 0 | 108.4 | | |
| 160 | P | 52.7 | Low | 42.9 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | | -135.3 | 146 | 98 | 40.5 | -29.6 | 0 | 0 | 0 | 110.4 | | |
| 161 | D | 39.4 | Very low | 42.7 | Very low | 152 Ų | 152 | 139.6 Ų | 139.6 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | | | | 55 | 107.1 | 62.2 | -155.2 | -126.4 | 0 | 0 | 0 | 114.8 | | |
| 162 | S | 47.1 | Very low | 42.5 | Very low | 94 Ų | 94 | 139.5 Ų | 139.5 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | | | trans | 170.5 | 118.8 | 144.7 | -99.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 163 | E | 39.7 | Very low | 42.5 | Very low | 189 Ų | 189 | 137.6 Ų | 137.6 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | | | trans | 31 | 124.8 | 131.1 | -53.2 | 176.4 | 110 | 0 | 0 | 118.1 | | |
| 164 | G | 40.5 | Very low | 42.7 | Very low | 70 Ų | 70 | 135.4 Ų | 135.4 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | | | | 148.8 | 179.9 | 67.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 165 | P | 59.7 | Low | 43.4 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | trans | -111.6 | -170.9 | -144.8 | 42 | -37.3 | 0 | 0 | 0 | 117 | | |
| 166 | D | 38.9 | Very low | 43 | Very low | 158 Ų | 158 | 130.4 Ų | 130.4 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | | | trans | 83.2 | 135.7 | 165.4 | -62.7 | -29.2 | 0 | 0 | 0 | 119.7 | | |
| 167 | G | 40.7 | Very low | 43.3 | Very low | 68 Ų | 68 | 124.4 Ų | 124.4 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | 176.3 | 39 | -172 | 0 | 0 | 0 | 0 | 0 | 114 | Y169 | G167-Y169 PolarHBondContact O-N 2.98Š|
| 168 | T | 46.3 | Very low | 43.5 | Very low | 137 Ų | 137 | 127.3 Ų | 127.3 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | trans | -59.5 | 118 | 174.2 | -55.8 | 0 | 0 | 0 | 0 | 111 | | |
| 169 | Y | 43.4 | Very low | 44.3 | Very low | 221 Ų | 221 | 129.6 Ų | 129.6 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | | | trans | -127.7 | 142.9 | 152.5 | 70.3 | -87.7 | 0 | 0 | 0 | 109.4 | G167 | G167-Y169 PolarHBondContact O-N 2.98Š|
| 170 | S | 39.8 | Very low | 44.1 | Very low | 96 Ų | 96 | 128.6 Ų | 128.6 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | | | trans | -122.5 | 150.3 | -164.6 | -161.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 171 | S | 42 | Very low | 43.8 | Very low | 89 Ų | 89 | 131.3 Ų | 131.3 | 62% | 0.622 | 79% | 0.792 | S | S | * | * | | | trans | 64.1 | 167.8 | 166.3 | -46.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 172 | E | 38.7 | Very low | 43.7 | Very low | 172 Ų | 172 | 127.4 Ų | 127.4 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | cis | -156.7 | 159.6 | -3.3 | 24.7 | -153.3 | 70.7 | 0 | 0 | 103.6 | | |
| 173 | E | 39.6 | Very low | 43.2 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | | | cis | -172.8 | 172.5 | 36.2 | 49.2 | 177 | 107.6 | 0 | 0 | 111.6 | | |
| 174 | S | 47.2 | Very low | 43.5 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | | | trans | 67.9 | 87.8 | 145.3 | -61.4 | 0 | 0 | 0 | 0 | 121.4 | | |
| 175 | S | 49.5 | Very low | 43.5 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | -58 | 159 | 149.6 | -50.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 176 | S | 40.9 | Very low | 42.7 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 88% | 0.881 | 81% | 0.809 | S | S | * | * | | | trans | -154.5 | 123.9 | 146.9 | 54.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 177 | A | 40.3 | Very low | 42.5 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | | | trans | -132.6 | 136.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 178 | L | 47.2 | Very low | 42.5 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | | | trans | -147.2 | 136.1 | 168.8 | -74.9 | -179.3 | 0 | 0 | 0 | 111 | | |
| 179 | P | 50.4 | Low | 42.2 | Very low | 126 Ų | 126 | 145 Ų | 145 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -85.3 | 158.4 | 161 | 36.1 | -32.1 | 0 | 0 | 0 | 110.5 | | |
| 180 | S | 43.4 | Very low | 41.8 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -139.6 | 100.5 | 176.2 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 181 | N | 44.9 | Very low | 41.8 | Very low | 173 Ų | 173 | 142 Ų | 142 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | | | trans | -101.7 | 143.1 | 154.8 | -85.2 | -14.4 | 0 | 0 | 0 | 108 | | |
| 182 | G | 38.1 | Very low | 41.6 | Very low | 71 Ų | 71 | 142.4 Ų | 142.4 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | | | trans | -161.9 | 116.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 183 | D | 37.3 | Very low | 41.5 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | | | trans | -60.7 | 158.3 | -178.4 | -61.4 | -109.7 | 0 | 0 | 0 | 114.9 | | |
| 184 | R | 45.5 | Very low | 42.3 | Very low | 251 Ų | 251 | 139.1 Ų | 139.1 | 95% | 0.947 | 82% | 0.817 | S | S | * | * | | | trans | -152.3 | 118.1 | 152.3 | -111.1 | -178.8 | 179.1 | 87.2 | -0.6 | 111.4 | | |
| 185 | E | 40.8 | Very low | 41.9 | Very low | 171 Ų | 171 | 138 Ų | 138 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | | | trans | -99.4 | -178.4 | 167.4 | -151.6 | -164.1 | 95.2 | 0 | 0 | 110.1 | | |
| 186 | L | 41.8 | Very low | 41.5 | Very low | 167 Ų | 167 | 143.4 Ų | 143.4 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | | | trans | 76 | 132.9 | -176.6 | -44.9 | 171.6 | 0 | 0 | 0 | 114.6 | | |
| 187 | G | 33.9 | Very low | 41.5 | Very low | 70 Ų | 70 | 143.6 Ų | 143.6 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | | | cis | -178.3 | 153.1 | -5.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 188 | Q | 41.3 | Very low | 41.5 | Very low | 182 Ų | 182 | 144.9 Ų | 144.9 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | | | trans | -4 | 132.1 | 165 | -59.9 | 157.3 | 55.9 | 0 | 0 | 120.4 | | |
| 189 | H | 40.1 | Very low | 41.1 | Very low | 203 Ų | 203 | 145.9 Ų | 145.9 | 94% | 0.94 | 80% | 0.797 | S | S | * | * | | | trans | -160.1 | 144.1 | 132.9 | -78.5 | -61.1 | 0 | 0 | 0 | 109.4 | | |
| 190 | G | 35.5 | Very low | 40.6 | Very low | 63 Ų | 63 | 145.1 Ų | 145.1 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | | | trans | -148.2 | 165.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 191 | H | 39.8 | Very low | 41 | Very low | 190 Ų | 190 | 145.1 Ų | 145.1 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | | | trans | -175.2 | 116.9 | 169.2 | -87.8 | -64.6 | 0 | 0 | 0 | 106.1 | | |
| 192 | S | 37.6 | Very low | 40.5 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | | 90.5 | 87.6 | 56.2 | 72.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 193 | D | 36.1 | Very low | 40.3 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | | | trans | 48 | 175.9 | 137 | -123.9 | 18.6 | 0 | 0 | 0 | 120.6 | | |
| 194 | P | 56.5 | Low | 40.1 | Very low | 107 Ų | 107 | 137.3 Ų | 137.3 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | | | cis | -142 | 173.5 | 3.2 | 42.8 | -22.9 | 0 | 0 | 0 | 120.1 | | |
| 195 | S | 38.5 | Very low | 40.9 | Very low | 76 Ų | 76 | 131.3 Ų | 131.3 | 53% | 0.531 | 78% | 0.784 | S | S | . | * | | | trans | 59.6 | 126.1 | 139.5 | 171.9 | 0 | 0 | 0 | 0 | 122.6 | D197 | S195-D197 PolarHBondContact OG-OD2 3.02Š|
| 196 | R | 42.4 | Very low | 41.4 | Very low | 236 Ų | 236 | 129 Ų | 129 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | | | | -173.4 | 117.2 | 112.5 | -90.8 | 158.7 | -166.8 | -159.1 | 4.4 | 108.6 | | |
| 197 | D | 40.2 | Very low | 41.2 | Very low | 130 Ų | 130 | 124.8 Ų | 124.8 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | | | | 63.8 | 120.4 | 67.3 | -66.9 | -64.9 | 0 | 0 | 0 | 111.7 | S195 | S195-D197 PolarHBondContact OG-OD2 3.02Š|
| 198 | T | 40.8 | Very low | 41.5 | Very low | 122 Ų | 122 | 130 Ų | 130 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | cis | -161 | 175 | 29.5 | 51.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 199 | K | 37.6 | Very low | 41.5 | Very low | 192 Ų | 192 | 128.8 Ų | 128.8 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | | | trans | 86.3 | 96.3 | 140.2 | -132.8 | 84.4 | 170.2 | -162.5 | 0 | 121.1 | | |
| 200 | S | 39.6 | Very low | 41.4 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | | | trans | -89.3 | 166.4 | 133.1 | -128.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 201 | P | 52.8 | Low | 41.5 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | | | cis | -153.7 | 171.3 | 46.6 | 42.4 | -21.7 | 0 | 0 | 0 | 119.3 | | |
| 202 | G | 34.3 | Very low | 41.4 | Very low | 82 Ų | 82 | 121.2 Ų | 121.2 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | | | trans | 84.8 | 148.6 | 133 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 203 | G | 33.6 | Very low | 41.7 | Very low | 83 Ų | 83 | 125.3 Ų | 125.3 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | | | trans | 134.8 | 130.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 204 | G | 33.9 | Very low | 41.9 | Very low | 74 Ų | 74 | 124.7 Ų | 124.7 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | | | trans | -92.7 | -172.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 205 | P | 62.6 | Low | 41.3 | Very low | 126 Ų | 126 | 126.7 Ų | 126.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -86.6 | 168.4 | -172.2 | 38.1 | -38.1 | 0 | 0 | 0 | 113.4 | | |
| 206 | P | 50.4 | Low | 41.4 | Very low | 122 Ų | 122 | 128.2 Ų | 128.2 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | | | | -155.3 | 175.5 | 101.5 | 40.4 | -22.5 | 0 | 0 | 0 | 117.8 | | |
| 207 | A | 37.9 | Very low | 41.1 | Very low | 78 Ų | 78 | 120 Ų | 120 | 65% | 0.645 | 78% | 0.784 | S | S | * | * | | | trans | 67.5 | 120.6 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 208 | Q | 39.1 | Very low | 41.5 | Very low | 181 Ų | 181 | 123.1 Ų | 123.1 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | | | | 65.5 | 145.9 | 92.6 | -61.2 | -179.7 | -30.8 | 0 | 0 | 113.6 | | |
| 209 | I | 41.3 | Very low | 41.9 | Very low | 155 Ų | 155 | 121 Ų | 121 | 80% | 0.795 | 80% | 0.797 | S | S | * | * | | | cis | -159.9 | 157.7 | 38.9 | -22.9 | 176.7 | 0 | 0 | 0 | 112.3 | | |
| 210 | S | 38 | Very low | 42.4 | Very low | 99 Ų | 99 | 118.3 Ų | 118.3 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | | | trans | 82.8 | 111.6 | 139.5 | -124.8 | 0 | 0 | 0 | 0 | 123.9 | | |
| 211 | S | 38.8 | Very low | 43.1 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | | 72.2 | 127 | 120.5 | -55.4 | 0 | 0 | 0 | 0 | 122.3 | | |
| 212 | G | 36.8 | Very low | 43 | Very low | 82 Ų | 82 | 122.7 Ų | 122.7 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | trans | 173 | 45.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 213 | Q | 44.2 | Very low | 43.8 | Very low | 183 Ų | 183 | 128.7 Ų | 128.7 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | | | trans | -72.9 | 127.6 | 176.9 | 168.6 | -175.6 | -36.4 | 0 | 0 | 111.7 | | |
| 214 | I | 41.4 | Very low | 44.6 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | | | trans | -165.3 | 128.9 | 134.3 | 35.5 | 172.4 | 0 | 0 | 0 | 114.3 | | |
| 215 | N | 43.1 | Very low | 45.4 | Very low | 148 Ų | 148 | 142 Ų | 142 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | | | trans | 57 | 114.9 | 142.9 | -63.8 | -23 | 0 | 0 | 0 | 122.7 | | |
| 216 | A | 40.6 | Very low | 44.9 | Very low | 108 Ų | 108 | 147.9 Ų | 147.9 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | | | trans | -71 | 161.5 | 158.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 217 | G | 36.8 | Very low | 44.9 | Very low | 63 Ų | 63 | 147 Ų | 147 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | | | trans | 145.8 | 73.6 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 218 | Q | 47.7 | Very low | 45.7 | Very low | 197 Ų | 197 | 146.5 Ų | 146.5 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | | | trans | -169.9 | 132.5 | 134.3 | -107.2 | 158.1 | 96.9 | 0 | 0 | 112.7 | T220 | Q218-T220 PolarHBondContact O-N 3.39Š|
| 219 | G | 49.4 | Very low | 46.3 | Very low | 77 Ų | 77 | 143.1 Ų | 143.1 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | | | trans | -81.7 | 116.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K221 | G219-K221 PolarHBondContact O-N 2.97Š|
| 220 | T | 49.1 | Very low | 47.1 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | | | trans | -79.7 | 108.4 | 168 | 48 | 0 | 0 | 0 | 0 | 109.9 | Q218 P222 | Q218-T220 PolarHBondContact O-N 3.39Å; T220-P222 WeakPolarHBondContact O-CD 3.24Å |
| 221 | K | 53.6 | Low | 48 | Very low | 200 Ų | 200 | 142.7 Ų | 142.7 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | | | trans | -62.4 | 120.2 | 177.7 | -65.4 | 179.8 | -179.1 | 176.5 | 0 | 109.7 | G219 K223 | G219-K221 PolarHBondContact O-N 2.97Å; K221-K223 PolarHBondContact O-N 3.4Å; K221-K223 VanDerWaalsContact O-N 3.14Å |
| 222 | P | 51.6 | Low | 49 | Very low | 119 Ų | 119 | 146.9 Ų | 146.9 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | | | trans | -66.7 | 119 | 177.8 | 25.4 | -32.3 | 0 | 0 | 0 | 110 | T220 R224 | T220-P222 WeakPolarHBondContact O-CD 3.24Å; P222-R224 PolarHBondContact O-N 3.47Å |
| 223 | K | 50.1 | Low | 50.1 | Low | 207 Ų | 207 | 148 Ų | 148 | 90% | 0.9 | 81% | 0.811 | S | S | * | * | | | trans | -57.9 | 99.2 | 178.1 | -175.6 | 171.4 | -178.5 | 171.9 | 0 | 109.5 | K221 K225 | K221-K223 PolarHBondContact O-N 3.4Å; K221-K223 VanDerWaalsContact O-N 3.14Å; K223-K225 VanDerWaalsContact C-N 3.33Å; K223-K225 PolarHBondContact O-N 2.97Å |
| 224 | R | 51 | Low | 50.7 | Low | 240 Ų | 240 | 142.1 Ų | 142.1 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | | | trans | -56.6 | 93 | 176.1 | -78.2 | 178.2 | 69.2 | -176.9 | 2.6 | 109.9 | P222 R226 | P222-R224 PolarHBondContact O-N 3.47Å; R224-R226 PolarHBondContact O-N 2.99Å |
| 225 | K | 49.7 | Very low | 52.2 | Low | 197 Ų | 197 | 144 Ų | 144 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | | | trans | -59.3 | 110.2 | 169 | -163.3 | 178.7 | -174.1 | -176.6 | 0 | 106 | K223 S227 | K223-K225 VanDerWaalsContact C-N 3.33Å; K223-K225 PolarHBondContact O-N 2.97Å; K225-S227 PolarHBondContact O-N 3.18Å |
| 226 | R | 53.5 | Low | 53.7 | Low | 249 Ų | 249 | 143 Ų | 143 | 94% | 0.94 | 80% | 0.804 | S | S | * | * | | | trans | -68.1 | 79 | 173.1 | -71.1 | -179.8 | 178.9 | 152 | -1.9 | 108 | R224 G228 | R224-R226 PolarHBondContact O-N 2.99Å; R226-G228 PolarHBondContact O-N 2.97Å; R226-G228 VanDerWaalsContact O-N 3.16Å |
| 227 | S | 48.9 | Very low | 55.7 | Low | 104 Ų | 104 | 149.4 Ų | 149.4 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | -65.3 | 110.1 | 165 | -166.4 | 0 | 0 | 0 | 0 | 106.5 | K225 S229 | K225-S227 PolarHBondContact O-N 3.18Å; S227-S229 VanDerWaalsContact C-N 3.26Å; S227-S229 PolarHBondContact O-N 2.98Å |
| 228 | G | 54.2 | Low | 57.9 | Low | 68 Ų | 68 | 158.1 Ų | 158.1 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | | | trans | -68.7 | 85.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | R226 D230 | R226-G228 PolarHBondContact O-N 2.97Å; R226-G228 VanDerWaalsContact O-N 3.16Å; G228-D230 PolarHBondContact O-N 3.15Å |
| 229 | S | 53.6 | Low | 59.6 | Low | 109 Ų | 109 | 153.1 Ų | 153.1 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | | | trans | -76.7 | 62 | 175.1 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | S227 | S227-S229 VanDerWaalsContact C-N 3.26Å; S227-S229 PolarHBondContact O-N 2.98Å |
| 230 | D | 57.7 | Low | 61.6 | Low | 143 Ų | 143 | 161.2 Ų | 161.2 | 77% | 0.765 | 82% | 0.817 | S | S | * | * | | | trans | -108.1 | 52.7 | 172 | -147.8 | -63.7 | 0 | 0 | 0 | 109.8 | G228 | G228-D230 PolarHBondContact O-N 3.15Š|
| 231 | S | 56.2 | Low | 63.6 | Low | 102 Ų | 102 | 160.2 Ų | 160.2 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | | | trans | -115.3 | 12.8 | -172.3 | -54 | 0 | 0 | 0 | 0 | 113.6 | | |
| 232 | K | 59.2 | Low | 65.6 | Low | 205 Ų | 205 | 155.1 Ų | 155.1 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -117.1 | 65.6 | 178 | -70.5 | -162.2 | 176.3 | -172.1 | 0 | 112.1 | | |
| 233 | S | 60 | Low | 67.8 | Low | 105 Ų | 105 | 152.2 Ų | 152.2 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 159.8 | -11.4 | 155.8 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | K235 | S233-K235 PolarHBondContact O-N 3.29Š|
| 234 | G | 58.1 | Low | 70.1 | Confident | 60 Ų | 60 | 146 Ų | 146 | 62% | 0.619 | 76% | 0.761 | S | S | * | * | | | trans | -69.6 | 120.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 235 | K | 71.9 | Confident | 72.3 | Confident | 186 Ų | 186 | 143.3 Ų | 143.3 | 81% | 0.809 | 75% | 0.752 | S | S | * | * | | | trans | -56.1 | 139.3 | 165.7 | -73.1 | 73.7 | 171.6 | 178.5 | 0 | 108.4 | S233 R237 | S233-K235 PolarHBondContact O-N 3.29Å; K235-R237 PolarHBondContact O-N 3.25Å |
| 236 | P | 75.6 | Confident | 74.7 | Confident | 128 Ų | 128 | 141.3 Ų | 141.3 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | | | trans | -54.5 | 116 | -178.7 | -26.1 | 34.3 | 0 | 0 | 0 | 111.3 | R238 | P236-R238 PolarHBondContact O-N 3.19Š|
| 237 | R | 81.4 | Confident | 76.8 | Confident | 242 Ų | 242 | 130.9 Ų | 130.9 | 91% | 0.913 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 124.2 | 171.6 | -83.1 | -176.2 | 173.9 | -108.6 | 1.5 | 107.8 | K235 A239 | K235-R237 PolarHBondContact O-N 3.25Å; R237-A239 PolarHBondContact O-N 3.4Å |
| 238 | R | 83.2 | Confident | 79.2 | Confident | 247 Ų | 247 | 129.2 Ų | 129.2 | 93% | 0.932 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 124.5 | 178.5 | -146.3 | 176.6 | -161.3 | -172.5 | 5.1 | 109 | P236 R240 | P236-R238 PolarHBondContact O-N 3.19Å; R238-R240 PolarHBondContact O-N 3.12Å |
| 239 | A | 84.6 | Confident | 81.3 | Confident | 92 Ų | 92 | 128.5 Ų | 128.5 | 76% | 0.76 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 138.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | R237 T241 | R237-A239 PolarHBondContact O-N 3.4Å; A239-T241 PolarHBondContact O-N 2.92Å |
| 240 | R | 91.2 | Very high | 83.4 | Confident | 246 Ų | 246 | 124.9 Ų | 124.9 | 93% | 0.928 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 119.3 | 178 | -61.2 | -179.4 | 76.6 | 169.6 | 4.9 | 108.1 | R238 | R238-R240 PolarHBondContact O-N 3.12Š|
| 241 | T | 90.1 | Very high | 85.4 | Confident | 115 Ų | 115 | 118 Ų | 118 | 71% | 0.706 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 132.6 | 170.5 | 48.3 | 0 | 0 | 0 | 0 | 109.6 | A239 | A239-T241 PolarHBondContact O-N 2.92Š|
| 242 | A | 95.3 | Very high | 87.4 | Confident | 94 Ų | 94 | 115.4 Ų | 115.4 | 78% | 0.777 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -97 | 149.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 243 | F | 98.1 | Very high | 89.3 | Confident | 58 Ų | 58 | 109.5 Ų | 109.5 | 25% | 0.254 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -83.8 | 148 | 169.9 | -58 | -55.6 | 0 | 0 | 0 | 110 | Q247 L248 L275 Q279 W283 | F243-Q247 HydrophobicContact CB-CB 4.29Å; F243-L248 HydrophobicContact CB-CD2 4Å; F243-L248 HydrophobicContact CB-CG 4.07Å; F243-L248 HydrophobicContact CD2-CD2 4.21Å; F243-L275 HydrophobicContact CD1-CD1 4Å; F243-L275 HydrophobicContact CD1-CD2 3.74Å; F243-L275 HydrophobicContact CE1-CD1 3.96Å; F243-L275 HydrophobicContact CE1-CD2 3.72Å; F243-L275 HydrophobicContact CE1-CG 4.49Å; F243-Q279 HydrophobicContact CE1-CB 4.04Å; F243-Q279 HydrophobicContact CE1-CG 4.18Å; F243-Q279 HydrophobicContact CZ-CB 3.99Å; F243-Q279 HydrophobicContact CZ-CG 4.24Å; F243-W283 AromaticContact CD2-CD1 3.8Å; F243-W283 HydrophobicContact CE2-CB 4.44Å; F243-W283 AromaticContact CE2-CD1 3.7Å; F243-W283 HydrophobicContact CE2-CG 4.47Å |
| 244 | T | 98.4 | Very high | 91.1 | Very high | 75 Ų | 75 | 107.3 Ų | 107.3 | 46% | 0.46 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 163 | 174.3 | 72.5 | 0 | 0 | 0 | 0 | 110.8 | E246 Q247 L248 | T244-E246 VanDerWaalsContact C-N 3.33Å; T244-E246 PolarHBondContact O-N 3.39Å; T244-Q247 PolarHBondContact O-N 2.97Å; T244-Q247 VanDerWaalsContact OG1-CG 3.29Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.49Å; T244-Q247 PolarHBondContact OG1-N 2.87Å; T244-L248 WeakPolarHBondContact O-CG 3.18Å; T244-L248 PolarHBondContact O-N 3.14Å; T244-L248 VanDerWaalsContact O-N 3.08Å |
| 245 | Y | 98.1 | Very high | 93 | Very high | 184 Ų | 184 | 104.9 Ų | 104.9 | 72% | 0.722 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.1 | -44.1 | 176.4 | 177.9 | -105.6 | 0 | 0 | 0 | 112 | Q247 L248 V249 | Y245-Q247 PolarHBondContact O-N 3.37Å; Y245-L248 WeakPolarHBondContact O-CB 3.3Å; Y245-L248 PolarHBondContact O-N 3.37Å; Y245-L248 VanDerWaalsContact O-N 3.15Å; Y245-V249 HydrophobicContact CD1-CG2 4.14Å; Y245-V249 HydrophobicContact CD2-CG2 4.4Å; Y245-V249 HydrophobicContact CE1-CG2 3.67Å; Y245-V249 HydrophobicContact CE2-CG2 3.96Å; Y245-V249 HydrophobicContact CG-CG2 4.49Å; Y245-V249 WeakPolarHBondContact O-CG2 3.33Å; Y245-V249 PolarHBondContact O-N 3.38Å |
| 246 | E | 98.4 | Very high | 94.2 | Very high | 156 Ų | 156 | 103.1 Ų | 103.1 | 73% | 0.729 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.7 | -43.1 | 179.2 | -61.4 | -176.4 | 168.3 | 0 | 0 | 112.4 | T244 L248 V249 A250 | T244-E246 VanDerWaalsContact C-N 3.33Å; T244-E246 PolarHBondContact O-N 3.39Å; E246-L248 VanDerWaalsContact C-N 3.31Å; E246-L248 PolarHBondContact O-N 2.84Å; E246-V249 PolarHBondContact O-N 2.92Å; E246-A250 PolarHBondContact O-N 3.4Å |
| 247 | Q | 98.6 | Very high | 95.3 | Very high | 30 Ų | 30 | 101.4 Ų | 101.4 | 14% | 0.14 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -57.4 | -44.9 | 172.8 | -73.7 | 172.3 | -20.8 | 0 | 0 | 111.2 | F243 T244 Y245 A250 L251 L273 | F243-Q247 HydrophobicContact CB-CB 4.29Å; T244-Q247 PolarHBondContact O-N 2.97Å; T244-Q247 VanDerWaalsContact OG1-CG 3.29Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.49Å; T244-Q247 PolarHBondContact OG1-N 2.87Å; Y245-Q247 PolarHBondContact O-N 3.37Å; Q247-A250 PolarHBondContact O-N 3.18Å; Q247-L251 WeakPolarHBondContact O-CB 3.34Å; Q247-L251 WeakPolarHBondContact O-CD1 3.43Å; Q247-L251 WeakPolarHBondContact O-CG 3.34Å; Q247-L251 PolarHBondContact O-N 3.33Å; Q247-L273 HydrophobicContact CG-CB 4.35Å; Q247-L273 PolarHBondContact NE2-O 2.92Å |
| 248 | L | 98.6 | Very high | 96 | Very high | 68 Ų | 68 | 91.7 Ų | 91.7 | 36% | 0.356 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 177.9 | -68 | 172 | 0 | 0 | 0 | 112.5 | F243 T244 Y245 E246 E252 W283 | F243-L248 HydrophobicContact CB-CD2 4Å; F243-L248 HydrophobicContact CB-CG 4.07Å; F243-L248 HydrophobicContact CD2-CD2 4.21Å; T244-L248 WeakPolarHBondContact O-CG 3.18Å; T244-L248 PolarHBondContact O-N 3.14Å; T244-L248 VanDerWaalsContact O-N 3.08Å; Y245-L248 WeakPolarHBondContact O-CB 3.3Å; Y245-L248 PolarHBondContact O-N 3.37Å; Y245-L248 VanDerWaalsContact O-N 3.15Å; E246-L248 VanDerWaalsContact C-N 3.31Å; E246-L248 PolarHBondContact O-N 2.84Å; L248-E252 VanDerWaalsContact O-CB 3.24Å; L248-E252 WeakPolarHBondContact O-CB 3.43Å; L248-E252 PolarHBondContact O-N 2.74Å; L248-W283 VanDerWaalsContact CD2-NE1 3.35Å |
| 249 | V | 98.5 | Very high | 96.7 | Very high | 53 Ų | 53 | 85.5 Ų | 85.5 | 32% | 0.321 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 176.8 | 171 | 0 | 0 | 0 | 0 | 111 | Y245 E246 E252 N253 | Y245-V249 HydrophobicContact CD1-CG2 4.14Å; Y245-V249 HydrophobicContact CD2-CG2 4.4Å; Y245-V249 HydrophobicContact CE1-CG2 3.67Å; Y245-V249 HydrophobicContact CE2-CG2 3.96Å; Y245-V249 HydrophobicContact CG-CG2 4.49Å; Y245-V249 WeakPolarHBondContact O-CG2 3.33Å; Y245-V249 PolarHBondContact O-N 3.38Å; E246-V249 PolarHBondContact O-N 2.92Å; V249-E252 PolarHBondContact O-N 2.88Å; V249-N253 WeakPolarHBondContact O-CB 3.39Å; V249-N253 VanDerWaalsContact O-CG 3.23Å; V249-N253 PolarHBondContact O-N 2.67Å; V249-N253 PolarHBondContact O-ND2 2.94Å |
| 250 | A | 98.4 | Very high | 97.4 | Very high | 33 Ų | 33 | 88.5 Ų | 88.5 | 27% | 0.273 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E246 Q247 E252 N253 K254 L273 | E246-A250 PolarHBondContact O-N 3.4Å; Q247-A250 PolarHBondContact O-N 3.18Å; A250-E252 PolarHBondContact O-N 3.28Å; A250-N253 PolarHBondContact O-N 2.91Å; A250-K254 PolarHBondContact O-N 2.98Å; A250-L273 HydrophobicContact CB-CD1 4.03Å; A250-L273 HydrophobicContact CB-CD2 3.58Å; A250-L273 HydrophobicContact CB-CG 4.43Å |
| 251 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 174.9 | -71.8 | 164.4 | 0 | 0 | 0 | 111.8 | Q247 F255 L269 L273 L275 V280 W283 F284 | Q247-L251 WeakPolarHBondContact O-CB 3.34Å; Q247-L251 WeakPolarHBondContact O-CD1 3.43Å; Q247-L251 WeakPolarHBondContact O-CG 3.34Å; Q247-L251 PolarHBondContact O-N 3.33Å; L251-F255 WeakPolarHBondContact O-CB 3.45Å; L251-F255 PolarHBondContact O-N 3.37Å; L251-L269 HydrophobicContact CD2-CD2 3.9Å; L251-L269 HydrophobicContact CD2-CG 4.43Å; L251-L273 HydrophobicContact CD2-CD1 3.97Å; L251-L273 HydrophobicContact CG-CD1 3.78Å; L251-L275 HydrophobicContact CD1-CD1 4.2Å; L251-V280 HydrophobicContact CD2-CG1 4.26Å; L251-W283 HydrophobicContact CB-CD2 3.88Å; L251-W283 HydrophobicContact CB-CE3 3.88Å; L251-W283 HydrophobicContact CB-CH2 3.73Å; L251-W283 HydrophobicContact CB-CZ2 3.68Å; L251-W283 HydrophobicContact CB-CZ3 3.81Å; L251-W283 HydrophobicContact CD1-CD2 3.93Å; L251-W283 HydrophobicContact CD1-CG 3.84Å; L251-W283 HydrophobicContact CD2-CD2 4.36Å; L251-W283 HydrophobicContact CD2-CE3 4.27Å; L251-W283 HydrophobicContact CG-CD2 4.28Å; L251-W283 HydrophobicContact CG-CE3 4.48Å; L251-F284 HydrophobicContact CD2-CD2 4.5Å; L251-F284 HydrophobicContact CD2-CE2 3.99Å |
| 252 | E | 98.6 | Very high | 98.1 | Very high | 47 Ų | 47 | 75 Ų | 75 | 22% | 0.22 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 176.5 | -170.8 | 72.9 | -172.3 | 0 | 0 | 112 | L248 V249 A250 F255 K256 W283 R287 | L248-E252 VanDerWaalsContact O-CB 3.24Å; L248-E252 WeakPolarHBondContact O-CB 3.43Å; L248-E252 PolarHBondContact O-N 2.74Å; V249-E252 PolarHBondContact O-N 2.88Å; A250-E252 PolarHBondContact O-N 3.28Å; E252-F255 PolarHBondContact O-N 2.93Å; E252-K256 WeakPolarHBondContact O-CG 3.25Å; E252-K256 PolarHBondContact O-N 3.44Å; E252-K256 VanDerWaalsContact O-N 3.07Å; E252-W283 HydrophobicContact CB-CH2 4.39Å; E252-R287 IonicContact OE1-CZ 3.9Å; E252-R287 IonicContact OE1-NE 3.08Å; E252-R287 IonicContact OE1-NH1 2.83Å; E252-R287 PolarHBondContact OE1-NH1 2.91Å; E252-R287 IonicContact OE1-NH2 2.74Å; E252-R287 PolarHBondContact OE1-NH2 2.65Å; E252-R287 WeakPolarHBondContact OE2-CD 3.22Å; E252-R287 IonicContact OE2-CZ 2.69Å; E252-R287 IonicContact OE2-NE 2.69Å; E252-R287 PolarHBondContact OE2-NE 3.48Å; E252-R287 IonicContact OE2-NH1 2.65Å; E252-R287 PolarHBondContact OE2-NH1 2.87Å; E252-R287 IonicContact OE2-NH2 2.91Å |
| 253 | N | 98.5 | Very high | 98.2 | Very high | 80 Ų | 80 | 74.8 Ų | 74.8 | 43% | 0.428 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 177.3 | -74.8 | -16.4 | 0 | 0 | 0 | 112 | V249 A250 F255 K256 | V249-N253 WeakPolarHBondContact O-CB 3.39Å; V249-N253 VanDerWaalsContact O-CG 3.23Å; V249-N253 PolarHBondContact O-N 2.67Å; V249-N253 PolarHBondContact O-ND2 2.94Å; A250-N253 PolarHBondContact O-N 2.91Å; N253-F255 VanDerWaalsContact C-N 3.31Å; N253-F255 PolarHBondContact O-N 3.27Å; N253-K256 PolarHBondContact O-N 3.24Å; N253-K256 PolarHBondContact OD1-NZ 2.69Å |
| 254 | K | 98.3 | Very high | 98.2 | Very high | 60 Ų | 60 | 75.7 Ų | 75.7 | 26% | 0.261 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.4 | -32.4 | 172.4 | -175.5 | 65.6 | 178.2 | 176.4 | 0 | 112.1 | A250 K256 S257 T258 L261 E265 L269 F284 | A250-K254 PolarHBondContact O-N 2.98Å; K254-K256 VanDerWaalsContact C-N 3.33Å; K254-K256 PolarHBondContact O-N 3.39Å; K254-S257 PolarHBondContact O-N 3.22Å; K254-S257 PolarHBondContact O-OG 2.95Å; K254-S257 VanDerWaalsContact O-OG 3.07Å; K254-T258 HydrophobicContact CD-CG2 4.44Å; K254-T258 PolarHBondContact O-N 3.2Å; K254-L261 HydrophobicContact CD-CD2 4.25Å; K254-L261 HydrophobicContact CG-CD2 3.85Å; K254-E265 VanDerWaalsContact CE-OE1 3.31Å; K254-E265 WeakPolarHBondContact CE-OE1 3.48Å; K254-E265 IonicContact NZ-OE1 3.79Å; K254-E265 PolarHBondContact NZ-OE1 3.07Å; K254-L269 HydrophobicContact CB-CD2 4.21Å; K254-L269 HydrophobicContact CG-CD2 3.99Å; K254-F284 HydrophobicContact CB-CZ 4.32Å; K254-F284 HydrophobicContact CG-CZ 4.12Å |
| 255 | F | 98.5 | Very high | 98.2 | Very high | 9 Ų | 9 | 75 Ų | 75 | 4% | 0.039 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.9 | -30.9 | 175.1 | -172.2 | -94.7 | 0 | 0 | 0 | 113.5 | L251 E252 N253 T258 R259 W283 F284 R287 R288 W291 | L251-F255 WeakPolarHBondContact O-CB 3.45Å; L251-F255 PolarHBondContact O-N 3.37Å; E252-F255 PolarHBondContact O-N 2.93Å; N253-F255 VanDerWaalsContact C-N 3.31Å; N253-F255 PolarHBondContact O-N 3.27Å; F255-T258 WeakPolarHBondContact CA-O 3.44Å; F255-T258 CarbonylContact O-C 3.39Å; F255-R259 HydrophobicContact CE1-CG 4.21Å; F255-R259 HydrophobicContact CE2-CB 3.92Å; F255-R259 HydrophobicContact CE2-CG 4.24Å; F255-R259 HydrophobicContact CZ-CB 4Å; F255-R259 HydrophobicContact CZ-CG 3.87Å; F255-W283 HydrophobicContact CB-CH2 4.34Å; F255-W283 HydrophobicContact CB-CZ3 4.1Å; F255-W283 HydrophobicContact CD2-CZ3 4.49Å; F255-W283 HydrophobicContact CG-CZ3 4.49Å; F255-F284 HydrophobicContact CB-CE1 4.2Å; F255-F284 HydrophobicContact CB-CZ 4.31Å; F255-F284 AromaticContact CD2-CD1 3.85Å; F255-F284 HydrophobicContact CD2-CD1 3.85Å; F255-F284 AromaticContact CD2-CE1 3.78Å; F255-F284 HydrophobicContact CD2-CE1 3.78Å; F255-F284 HydrophobicContact CE2-CD1 4.49Å; F255-F284 HydrophobicContact CG-CE1 4.49Å; F255-R287 HydrophobicContact CB-CG 4.38Å; F255-R287 HydrophobicContact CD1-CG 3.72Å; F255-R287 HydrophobicContact CD2-CB 4.18Å; F255-R287 HydrophobicContact CD2-CG 3.5Å; F255-R287 VanDerWaalsContact CD2-CG 3.5Å; F255-R287 HydrophobicContact CE1-CG 3.81Å; F255-R287 HydrophobicContact CE2-CB 4.13Å; F255-R287 HydrophobicContact CE2-CG 3.59Å; F255-R287 HydrophobicContact CG-CG 3.57Å; F255-R287 HydrophobicContact CZ-CG 3.75Å; F255-R288 HydrophobicContact CE2-CG 3.86Å; F255-R288 HydrophobicContact CZ-CG 4.3Å; F255-W291 HydrophobicContact CE1-CB 4.19Å; F255-W291 HydrophobicContact CE1-CG 4.16Å; F255-W291 HydrophobicContact CZ-CB 4.1Å; F255-W291 HydrophobicContact CZ-CG 4.29Å |
| 256 | K | 97.8 | Very high | 98.3 | Very high | 148 Ų | 148 | 68.4 Ų | 68.4 | 64% | 0.643 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.1 | -38.8 | 175.1 | -68.8 | 166.3 | -167.8 | 165 | 0 | 112 | E252 N253 K254 | E252-K256 WeakPolarHBondContact O-CG 3.25Å; E252-K256 PolarHBondContact O-N 3.44Å; E252-K256 VanDerWaalsContact O-N 3.07Å; N253-K256 PolarHBondContact O-N 3.24Å; N253-K256 PolarHBondContact OD1-NZ 2.69Å; K254-K256 VanDerWaalsContact C-N 3.33Å; K254-K256 PolarHBondContact O-N 3.39Å |
| 257 | S | 97.4 | Very high | 98.3 | Very high | 92 Ų | 92 | 64.7 Ų | 64.7 | 64% | 0.643 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -81.2 | -36.2 | 178.5 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | K254 | K254-S257 PolarHBondContact O-N 3.22Å; K254-S257 PolarHBondContact O-OG 2.95Å; K254-S257 VanDerWaalsContact O-OG 3.07Å |
| 258 | T | 97.4 | Very high | 98.3 | Very high | 38 Ų | 38 | 67.5 Ų | 67.5 | 23% | 0.233 | 35% | 0.351 | C | S | . | . | | | trans | -144.7 | 132.8 | 169.5 | 177.6 | 0 | 0 | 0 | 0 | 113.1 | K254 F255 Y260 L261 | K254-T258 HydrophobicContact CD-CG2 4.44Å; K254-T258 PolarHBondContact O-N 3.2Å; F255-T258 WeakPolarHBondContact CA-O 3.44Å; F255-T258 CarbonylContact O-C 3.39Å; T258-Y260 VanDerWaalsContact C-N 3.27Å; T258-Y260 PolarHBondContact O-N 3.13Å; T258-Y260 PolarHBondContact OG1-N 2.88Å; T258-Y260 VanDerWaalsContact OG1-N 3.15Å; T258-Y260 PolarHBondContact OG1-O 3.49Å; T258-L261 HydrophobicContact CG2-CD2 3.73Å |
| 259 | R | 97.5 | Very high | 98.3 | Very high | 118 Ų | 118 | 65.4 Ų | 65.4 | 45% | 0.445 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -77.9 | -11.5 | 175.2 | -54.9 | -178.4 | -164.1 | 130.4 | 3.8 | 112.8 | F255 R288 W291 | F255-R259 HydrophobicContact CE1-CG 4.21Å; F255-R259 HydrophobicContact CE2-CB 3.92Å; F255-R259 HydrophobicContact CE2-CG 4.24Å; F255-R259 HydrophobicContact CZ-CB 4Å; F255-R259 HydrophobicContact CZ-CG 3.87Å; R259-R288 WeakPolarHBondContact O-CD 3.39Å; R259-W291 VanDerWaalsContact CZ-CZ2 3.45Å |
| 260 | Y | 98.2 | Very high | 98.3 | Very high | 154 Ų | 154 | 63.1 Ų | 63.1 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -137 | 120.8 | -174 | -67.2 | -103.1 | 0 | 0 | 0 | 110 | T258 | T258-Y260 VanDerWaalsContact C-N 3.27Å; T258-Y260 PolarHBondContact O-N 3.13Å; T258-Y260 PolarHBondContact OG1-N 2.88Å; T258-Y260 VanDerWaalsContact OG1-N 3.15Å; T258-Y260 PolarHBondContact OG1-O 3.49Å |
| 261 | L | 98.3 | Very high | 98.3 | Very high | 20 Ų | 20 | 68 Ų | 68 | 11% | 0.105 | 35% | 0.348 | C | S | . | . | | | trans | -95.1 | 132.2 | 176.7 | -61.3 | 179.6 | 0 | 0 | 0 | 111.8 | K254 T258 E265 R266 L269 V280 F284 | K254-L261 HydrophobicContact CD-CD2 4.25Å; K254-L261 HydrophobicContact CG-CD2 3.85Å; T258-L261 HydrophobicContact CG2-CD2 3.73Å; L261-E265 HydrophobicContact CB-CB 4.42Å; L261-E265 HydrophobicContact CD2-CB 4.11Å; L261-R266 HydrophobicContact CB-CB 4.18Å; L261-R266 HydrophobicContact CD1-CB 4.25Å; L261-R266 HydrophobicContact CD1-CG 4.3Å; L261-R266 PolarHBondContact O-NH2 2.95Å; L261-L269 HydrophobicContact CD1-CD2 3.85Å; L261-V280 HydrophobicContact CD1-CG1 3.85Å; L261-F284 HydrophobicContact CD1-CD1 4.22Å; L261-F284 HydrophobicContact CD1-CD2 3.84Å; L261-F284 HydrophobicContact CD1-CE1 3.93Å; L261-F284 HydrophobicContact CD1-CE2 3.55Å; L261-F284 HydrophobicContact CD1-CG 4.19Å; L261-F284 HydrophobicContact CD1-CZ 3.61Å; L261-F284 HydrophobicContact CD2-CE1 4.05Å; L261-F284 HydrophobicContact CD2-CZ 4.09Å; L261-F284 HydrophobicContact CG-CD1 3.97Å; L261-F284 HydrophobicContact CG-CD2 4.48Å; L261-F284 HydrophobicContact CG-CE1 3.66Å; L261-F284 HydrophobicContact CG-CE2 4.24Å; L261-F284 HydrophobicContact CG-CG 4.38Å; L261-F284 HydrophobicContact CG-CZ 3.82Å |
| 262 | S | 98.4 | Very high | 98.3 | Very high | 58 Ų | 58 | 72.7 Ų | 72.7 | 41% | 0.406 | 38% | 0.38 | S | S | . | . | | | trans | -60 | 168.4 | 160.3 | 66.3 | 0 | 0 | 0 | 0 | 111.4 | E265 R266 | S262-E265 WeakPolarHBondContact CB-OE2 3.06Å; S262-E265 PolarHBondContact N-OE2 3.39Å; S262-E265 WeakPolarHBondContact OG-CB 3.49Å; S262-E265 WeakPolarHBondContact OG-CG 3.31Å; S262-E265 PolarHBondContact OG-N 2.75Å; S262-E265 PolarHBondContact OG-OE2 3.46Å; S262-R266 VanDerWaalsContact O-CB 3.3Å; S262-R266 WeakPolarHBondContact O-CB 3.21Å; S262-R266 PolarHBondContact O-N 3.45Å; S262-R266 VanDerWaalsContact O-N 3.17Å |
| 263 | V | 98.3 | Very high | 98.2 | Very high | 89 Ų | 89 | 71.7 Ų | 71.7 | 54% | 0.539 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.2 | -47.8 | 178.9 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | R266 L267 | V263-R266 WeakPolarHBondContact O-CB 3.3Å; V263-R266 PolarHBondContact O-N 3.47Å; V263-L267 HydrophobicContact CG1-CD1 4.16Å; V263-L267 WeakPolarHBondContact O-CG 3.33Å; V263-L267 PolarHBondContact O-N 3.16Å |
| 264 | C | 98.3 | Very high | 98.2 | Very high | 78 Ų | 78 | 73.2 Ų | 73.2 | 53% | 0.527 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.6 | -49.7 | 179.6 | -176.9 | 0 | 0 | 0 | 0 | 112.4 | R266 L267 N268 | C264-R266 PolarHBondContact O-N 3.25Å; C264-L267 PolarHBondContact O-N 2.76Å; C264-N268 PolarHBondContact O-N 3.15Å |
| 265 | E | 98.4 | Very high | 98.2 | Very high | 59 Ų | 59 | 71.4 Ų | 71.4 | 28% | 0.276 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.6 | -35.1 | 177.6 | -68.9 | 170.9 | 99.5 | 0 | 0 | 113.1 | K254 L261 S262 L269 | K254-E265 VanDerWaalsContact CE-OE1 3.31Å; K254-E265 WeakPolarHBondContact CE-OE1 3.48Å; K254-E265 IonicContact NZ-OE1 3.79Å; K254-E265 PolarHBondContact NZ-OE1 3.07Å; L261-E265 HydrophobicContact CB-CB 4.42Å; L261-E265 HydrophobicContact CD2-CB 4.11Å; S262-E265 WeakPolarHBondContact CB-OE2 3.06Å; S262-E265 PolarHBondContact N-OE2 3.39Å; S262-E265 WeakPolarHBondContact OG-CB 3.49Å; S262-E265 WeakPolarHBondContact OG-CG 3.31Å; S262-E265 PolarHBondContact OG-N 2.75Å; S262-E265 PolarHBondContact OG-OE2 3.46Å; E265-L269 VanDerWaalsContact O-CB 3.3Å; E265-L269 WeakPolarHBondContact O-CB 3.42Å; E265-L269 PolarHBondContact O-N 3.48Å |
| 266 | R | 98.7 | Very high | 98.2 | Very high | 47 Ų | 47 | 74.7 Ų | 74.7 | 18% | 0.177 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -70.9 | -38.1 | 179.8 | -165.6 | -166.8 | -56.5 | 142.2 | 10.8 | 111.6 | L261 S262 V263 C264 A270 E277 V280 | L261-R266 HydrophobicContact CB-CB 4.18Å; L261-R266 HydrophobicContact CD1-CB 4.25Å; L261-R266 HydrophobicContact CD1-CG 4.3Å; L261-R266 PolarHBondContact O-NH2 2.95Å; S262-R266 VanDerWaalsContact O-CB 3.3Å; S262-R266 WeakPolarHBondContact O-CB 3.21Å; S262-R266 PolarHBondContact O-N 3.45Å; S262-R266 VanDerWaalsContact O-N 3.17Å; V263-R266 WeakPolarHBondContact O-CB 3.3Å; V263-R266 PolarHBondContact O-N 3.47Å; C264-R266 PolarHBondContact O-N 3.25Å; R266-A270 WeakPolarHBondContact O-CB 3.47Å; R266-A270 PolarHBondContact O-N 3.46Å; R266-E277 HydrophobicContact CB-CG 4.41Å; R266-E277 VanDerWaalsContact CD-CG 3.45Å; R266-E277 VanDerWaalsContact CD-OE1 3.3Å; R266-E277 WeakPolarHBondContact CD-OE1 3.39Å; R266-E277 HydrophobicContact CG-CG 3.82Å; R266-E277 IonicContact CZ-OE1 2.9Å; R266-E277 IonicContact NE-OE1 2.68Å; R266-E277 IonicContact NH1-OE1 3.73Å; R266-E277 PolarHBondContact NH1-OE1 3.13Å; R266-V280 HydrophobicContact CG-CB 4.06Å; R266-V280 HydrophobicContact CG-CG1 3.78Å |
| 267 | L | 98.6 | Very high | 98.3 | Very high | 78 Ų | 78 | 70.7 Ų | 70.7 | 41% | 0.408 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.1 | -49.3 | 172.6 | -69.2 | 170 | 0 | 0 | 0 | 110.7 | V263 C264 L269 A270 L271 E277 | V263-L267 HydrophobicContact CG1-CD1 4.16Å; V263-L267 WeakPolarHBondContact O-CG 3.33Å; V263-L267 PolarHBondContact O-N 3.16Å; C264-L267 PolarHBondContact O-N 2.76Å; L267-L269 PolarHBondContact O-N 3.45Å; L267-A270 WeakPolarHBondContact O-CB 3.25Å; L267-A270 PolarHBondContact O-N 3.04Å; L267-A270 VanDerWaalsContact O-N 3.15Å; L267-L271 WeakPolarHBondContact O-CG 3.41Å; L267-L271 PolarHBondContact O-N 3.36Å; L267-E277 HydrophobicContact CD2-CB 4.28Å; L267-E277 HydrophobicContact CD2-CG 4.01Å |
| 268 | N | 98.5 | Very high | 98.3 | Very high | 89 Ų | 89 | 69.8 Ų | 69.8 | 48% | 0.476 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.1 | -45.4 | 178.8 | -66.6 | -15.4 | 0 | 0 | 0 | 111.7 | C264 A270 L271 S272 | C264-N268 PolarHBondContact O-N 3.15Å; N268-A270 PolarHBondContact O-N 3.47Å; N268-L271 PolarHBondContact O-N 2.96Å; N268-S272 PolarHBondContact O-N 2.96Å; N268-S272 PolarHBondContact O-OG 3.3Å |
| 269 | L | 98.5 | Very high | 98.3 | Very high | 24 Ų | 24 | 70.4 Ų | 70.4 | 13% | 0.126 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.7 | -33.3 | 177.5 | -171 | 64.7 | 0 | 0 | 0 | 113.1 | L251 K254 L261 E265 L267 L273 V280 F284 | L251-L269 HydrophobicContact CD2-CD2 3.9Å; L251-L269 HydrophobicContact CD2-CG 4.43Å; K254-L269 HydrophobicContact CB-CD2 4.21Å; K254-L269 HydrophobicContact CG-CD2 3.99Å; L261-L269 HydrophobicContact CD1-CD2 3.85Å; E265-L269 VanDerWaalsContact O-CB 3.3Å; E265-L269 WeakPolarHBondContact O-CB 3.42Å; E265-L269 PolarHBondContact O-N 3.48Å; L267-L269 PolarHBondContact O-N 3.45Å; L269-L273 HydrophobicContact CD1-CD1 3.8Å; L269-L273 HydrophobicContact CD1-CG 4.21Å; L269-L273 HydrophobicContact CG-CD1 4.02Å; L269-L273 WeakPolarHBondContact O-CB 3.14Å; L269-L273 WeakPolarHBondContact O-CG 3.29Å; L269-L273 PolarHBondContact O-N 2.95Å; L269-V280 HydrophobicContact CD2-CG1 3.95Å; L269-F284 HydrophobicContact CD2-CE2 3.89Å; L269-F284 HydrophobicContact CD2-CZ 4.31Å |
| 270 | A | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 64.8 Ų | 64.8 | 4% | 0.041 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.7 | -47.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | R266 L267 N268 L273 S274 L275 V280 | R266-A270 WeakPolarHBondContact O-CB 3.47Å; R266-A270 PolarHBondContact O-N 3.46Å; L267-A270 WeakPolarHBondContact O-CB 3.25Å; L267-A270 PolarHBondContact O-N 3.04Å; L267-A270 VanDerWaalsContact O-N 3.15Å; N268-A270 PolarHBondContact O-N 3.47Å; A270-L273 PolarHBondContact O-N 2.93Å; A270-S274 PolarHBondContact O-N 3.4Å; A270-L275 CarbonylContact C-O 3.4Å; A270-L275 WeakPolarHBondContact CB-O 3.39Å; A270-L275 PolarHBondContact O-N 2.94Å; A270-L275 VanDerWaalsContact O-O 3.07Å; A270-V280 HydrophobicContact CB-CG2 3.93Å |
| 271 | L | 98.5 | Very high | 98.4 | Very high | 136 Ų | 136 | 62.6 Ų | 62.6 | 71% | 0.712 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -60 | -51 | 175.2 | -67.3 | 171.5 | 0 | 0 | 0 | 111.8 | L267 N268 L273 S274 | L267-L271 WeakPolarHBondContact O-CG 3.41Å; L267-L271 PolarHBondContact O-N 3.36Å; N268-L271 PolarHBondContact O-N 2.96Å; L271-L273 PolarHBondContact O-N 3.23Å; L271-L273 VanDerWaalsContact O-N 3.12Å; L271-S274 PolarHBondContact O-N 3.15Å |
| 272 | S | 98.4 | Very high | 98.4 | Very high | 97 Ų | 97 | 65.9 Ų | 65.9 | 68% | 0.678 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.2 | -21.3 | -177.9 | -57 | 0 | 0 | 0 | 0 | 114.7 | N268 | N268-S272 PolarHBondContact O-N 2.96Å; N268-S272 PolarHBondContact O-OG 3.3Å |
| 273 | L | 98.2 | Very high | 98.4 | Very high | 26 Ų | 26 | 64.5 Ų | 64.5 | 14% | 0.136 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 4.1 | -177.2 | -61.8 | -176.4 | 0 | 0 | 0 | 113.7 | Q247 A250 L251 L269 A270 L271 L275 | Q247-L273 HydrophobicContact CG-CB 4.35Å; Q247-L273 PolarHBondContact NE2-O 2.92Å; A250-L273 HydrophobicContact CB-CD1 4.03Å; A250-L273 HydrophobicContact CB-CD2 3.58Å; A250-L273 HydrophobicContact CB-CG 4.43Å; L251-L273 HydrophobicContact CD2-CD1 3.97Å; L251-L273 HydrophobicContact CG-CD1 3.78Å; L269-L273 HydrophobicContact CD1-CD1 3.8Å; L269-L273 HydrophobicContact CD1-CG 4.21Å; L269-L273 HydrophobicContact CG-CD1 4.02Å; L269-L273 WeakPolarHBondContact O-CB 3.14Å; L269-L273 WeakPolarHBondContact O-CG 3.29Å; L269-L273 PolarHBondContact O-N 2.95Å; A270-L273 PolarHBondContact O-N 2.93Å; L271-L273 PolarHBondContact O-N 3.23Å; L271-L273 VanDerWaalsContact O-N 3.12Å; L273-L275 VanDerWaalsContact C-N 3.25Å; L273-L275 HydrophobicContact CB-CD1 4.17Å; L273-L275 HydrophobicContact CB-CG 4.07Å; L273-L275 PolarHBondContact O-N 3.08Å |
| 274 | S | 98.3 | Very high | 98.4 | Very high | 112 Ų | 112 | 60.6 Ų | 60.6 | 78% | 0.783 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 43.1 | -172.3 | -59 | 0 | 0 | 0 | 0 | 112.7 | A270 L271 | A270-S274 PolarHBondContact O-N 3.4Å; L271-S274 PolarHBondContact O-N 3.15Å |
| 275 | L | 98 | Very high | 98.4 | Very high | 22 Ų | 22 | 61.1 Ų | 61.1 | 12% | 0.115 | 33% | 0.328 | C | S | . | . | | | trans | -116.4 | 159.5 | 177.2 | -65.1 | -176.8 | 0 | 0 | 0 | 110.7 | F243 L251 A270 L273 Q279 V280 | F243-L275 HydrophobicContact CD1-CD1 4Å; F243-L275 HydrophobicContact CD1-CD2 3.74Å; F243-L275 HydrophobicContact CE1-CD1 3.96Å; F243-L275 HydrophobicContact CE1-CD2 3.72Å; F243-L275 HydrophobicContact CE1-CG 4.49Å; L251-L275 HydrophobicContact CD1-CD1 4.2Å; A270-L275 CarbonylContact C-O 3.4Å; A270-L275 WeakPolarHBondContact CB-O 3.39Å; A270-L275 PolarHBondContact O-N 2.94Å; A270-L275 VanDerWaalsContact O-O 3.07Å; L273-L275 VanDerWaalsContact C-N 3.25Å; L273-L275 HydrophobicContact CB-CD1 4.17Å; L273-L275 HydrophobicContact CB-CG 4.07Å; L273-L275 PolarHBondContact O-N 3.08Å; L275-Q279 HydrophobicContact CB-CB 4.47Å; L275-V280 HydrophobicContact CB-CG2 4.21Å; L275-V280 HydrophobicContact CD1-CG2 4.45Å |
| 276 | T | 98.5 | Very high | 98.4 | Very high | 79 Ų | 79 | 63 Ų | 63 | 49% | 0.485 | 34% | 0.34 | S | S | . | . | | | trans | -78.4 | 150.4 | 168.4 | 61.7 | 0 | 0 | 0 | 0 | 111.2 | T278 Q279 V280 | T276-T278 PolarHBondContact O-N 3.35Å; T276-T278 VanDerWaalsContact O-N 3.13Å; T276-Q279 WeakPolarHBondContact O-CB 3.35Å; T276-Q279 PolarHBondContact O-N 3.16Å; T276-Q279 VanDerWaalsContact OG1-CG 3.3Å; T276-Q279 WeakPolarHBondContact OG1-CG 3.4Å; T276-Q279 PolarHBondContact OG1-N 3.48Å; T276-Q279 PolarHBondContact OG1-OE1 3.39Å; T276-V280 PolarHBondContact O-N 3.01Å; T276-V280 VanDerWaalsContact O-N 3.14Å |
| 277 | E | 98.4 | Very high | 98.4 | Very high | 63 Ų | 63 | 62.7 Ų | 62.7 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -52.2 | -38.1 | 173.7 | -164.2 | -147.7 | 145.4 | 0 | 0 | 111.9 | R266 L267 V280 K281 | R266-E277 HydrophobicContact CB-CG 4.41Å; R266-E277 VanDerWaalsContact CD-CG 3.45Å; R266-E277 VanDerWaalsContact CD-OE1 3.3Å; R266-E277 WeakPolarHBondContact CD-OE1 3.39Å; R266-E277 HydrophobicContact CG-CG 3.82Å; R266-E277 IonicContact CZ-OE1 2.9Å; R266-E277 IonicContact NE-OE1 2.68Å; R266-E277 IonicContact NH1-OE1 3.73Å; R266-E277 PolarHBondContact NH1-OE1 3.13Å; L267-E277 HydrophobicContact CD2-CB 4.28Å; L267-E277 HydrophobicContact CD2-CG 4.01Å; E277-V280 PolarHBondContact O-N 3.44Å; E277-K281 WeakPolarHBondContact O-CB 3.33Å; E277-K281 PolarHBondContact O-N 2.83Å |
| 278 | T | 98.3 | Very high | 98.3 | Very high | 74 Ų | 74 | 61.9 Ų | 61.9 | 45% | 0.454 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.2 | -37.9 | 177.5 | -71.3 | 0 | 0 | 0 | 0 | 112.7 | T276 K281 I282 | T276-T278 PolarHBondContact O-N 3.35Å; T276-T278 VanDerWaalsContact O-N 3.13Å; T278-K281 PolarHBondContact O-N 3.19Å; T278-I282 HydrophobicContact CG2-CD1 3.72Å; T278-I282 HydrophobicContact CG2-CG1 4.37Å; T278-I282 WeakPolarHBondContact O-CB 3.41Å; T278-I282 VanDerWaalsContact O-CG1 3.25Å; T278-I282 WeakPolarHBondContact O-CG1 3.35Å; T278-I282 PolarHBondContact O-N 2.98Å |
| 279 | Q | 98.2 | Very high | 98.3 | Very high | 51 Ų | 51 | 61.6 Ų | 61.6 | 24% | 0.238 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 173.4 | -78.9 | 162.5 | -56.2 | 0 | 0 | 111.5 | F243 L275 T276 I282 W283 | F243-Q279 HydrophobicContact CE1-CB 4.04Å; F243-Q279 HydrophobicContact CE1-CG 4.18Å; F243-Q279 HydrophobicContact CZ-CB 3.99Å; F243-Q279 HydrophobicContact CZ-CG 4.24Å; L275-Q279 HydrophobicContact CB-CB 4.47Å; T276-Q279 WeakPolarHBondContact O-CB 3.35Å; T276-Q279 PolarHBondContact O-N 3.16Å; T276-Q279 VanDerWaalsContact OG1-CG 3.3Å; T276-Q279 WeakPolarHBondContact OG1-CG 3.4Å; T276-Q279 PolarHBondContact OG1-N 3.48Å; T276-Q279 PolarHBondContact OG1-OE1 3.39Å; Q279-I282 PolarHBondContact O-N 3.49Å; Q279-W283 WeakPolarHBondContact O-CB 3.29Å; Q279-W283 PolarHBondContact O-N 3.44Å |
| 280 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 175.2 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | L251 L261 R266 L269 A270 L275 T276 E277 I282 W283 F284 | L251-V280 HydrophobicContact CD2-CG1 4.26Å; L261-V280 HydrophobicContact CD1-CG1 3.85Å; R266-V280 HydrophobicContact CG-CB 4.06Å; R266-V280 HydrophobicContact CG-CG1 3.78Å; L269-V280 HydrophobicContact CD2-CG1 3.95Å; A270-V280 HydrophobicContact CB-CG2 3.93Å; L275-V280 HydrophobicContact CB-CG2 4.21Å; L275-V280 HydrophobicContact CD1-CG2 4.45Å; T276-V280 PolarHBondContact O-N 3.01Å; T276-V280 VanDerWaalsContact O-N 3.14Å; E277-V280 PolarHBondContact O-N 3.44Å; V280-I282 PolarHBondContact O-N 3.24Å; V280-W283 PolarHBondContact O-N 3.45Å; V280-F284 HydrophobicContact CG1-CD2 3.93Å; V280-F284 HydrophobicContact CG1-CE2 4.15Å; V280-F284 WeakPolarHBondContact O-CD2 3.4Å; V280-F284 PolarHBondContact O-N 2.76Å |
| 281 | K | 98.3 | Very high | 98.1 | Very high | 107 Ų | 107 | 67.4 Ų | 67.4 | 47% | 0.465 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.7 | -48.2 | 176 | -170.7 | 175.8 | 71.1 | -176.2 | 0 | 112.2 | E277 T278 Q285 | E277-K281 WeakPolarHBondContact O-CB 3.33Å; E277-K281 PolarHBondContact O-N 2.83Å; T278-K281 PolarHBondContact O-N 3.19Å; K281-Q285 WeakPolarHBondContact O-CB 3.24Å; K281-Q285 PolarHBondContact O-N 3.3Å |
| 282 | I | 98.4 | Very high | 97.9 | Very high | 89 Ų | 89 | 67 Ų | 67 | 46% | 0.456 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 179.1 | -70 | 168 | 0 | 0 | 0 | 110.8 | T278 Q279 V280 Q285 N286 | T278-I282 HydrophobicContact CG2-CD1 3.72Å; T278-I282 HydrophobicContact CG2-CG1 4.37Å; T278-I282 WeakPolarHBondContact O-CB 3.41Å; T278-I282 VanDerWaalsContact O-CG1 3.25Å; T278-I282 WeakPolarHBondContact O-CG1 3.35Å; T278-I282 PolarHBondContact O-N 2.98Å; Q279-I282 PolarHBondContact O-N 3.49Å; V280-I282 PolarHBondContact O-N 3.24Å; I282-Q285 PolarHBondContact O-N 3.07Å; I282-N286 WeakPolarHBondContact O-CB 3.45Å; I282-N286 VanDerWaalsContact O-CG 3.25Å; I282-N286 PolarHBondContact O-N 3.46Å; I282-N286 PolarHBondContact O-ND2 3.04Å |
| 283 | W | 98.5 | Very high | 97.7 | Very high | 29 Ų | 29 | 71.3 Ų | 71.3 | 11% | 0.11 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62 | -49.3 | 177.5 | -170.2 | 101.4 | 0 | 0 | 0 | 111.2 | F243 L248 L251 E252 F255 Q279 V280 Q285 N286 R287 | F243-W283 AromaticContact CD2-CD1 3.8Å; F243-W283 HydrophobicContact CE2-CB 4.44Å; F243-W283 AromaticContact CE2-CD1 3.7Å; F243-W283 HydrophobicContact CE2-CG 4.47Å; L248-W283 VanDerWaalsContact CD2-NE1 3.35Å; L251-W283 HydrophobicContact CB-CD2 3.88Å; L251-W283 HydrophobicContact CB-CE3 3.88Å; L251-W283 HydrophobicContact CB-CH2 3.73Å; L251-W283 HydrophobicContact CB-CZ2 3.68Å; L251-W283 HydrophobicContact CB-CZ3 3.81Å; L251-W283 HydrophobicContact CD1-CD2 3.93Å; L251-W283 HydrophobicContact CD1-CG 3.84Å; L251-W283 HydrophobicContact CD2-CD2 4.36Å; L251-W283 HydrophobicContact CD2-CE3 4.27Å; L251-W283 HydrophobicContact CG-CD2 4.28Å; L251-W283 HydrophobicContact CG-CE3 4.48Å; E252-W283 HydrophobicContact CB-CH2 4.39Å; F255-W283 HydrophobicContact CB-CH2 4.34Å; F255-W283 HydrophobicContact CB-CZ3 4.1Å; F255-W283 HydrophobicContact CD2-CZ3 4.49Å; F255-W283 HydrophobicContact CG-CZ3 4.49Å; Q279-W283 WeakPolarHBondContact O-CB 3.29Å; Q279-W283 PolarHBondContact O-N 3.44Å; V280-W283 PolarHBondContact O-N 3.45Å; W283-Q285 VanDerWaalsContact C-N 3.33Å; W283-Q285 PolarHBondContact O-N 2.89Å; W283-N286 PolarHBondContact O-N 3.45Å; W283-R287 HydrophobicContact CE3-CB 3.93Å; W283-R287 HydrophobicContact CE3-CG 4.4Å; W283-R287 HydrophobicContact CH2-CB 4.05Å; W283-R287 HydrophobicContact CH2-CG 3.7Å; W283-R287 HydrophobicContact CZ3-CB 3.67Å; W283-R287 HydrophobicContact CZ3-CG 3.64Å; W283-R287 VanDerWaalsContact O-CB 3.29Å; W283-R287 WeakPolarHBondContact O-CB 3.37Å; W283-R287 PolarHBondContact O-N 2.68Å |
| 284 | F | 98.7 | Very high | 97.4 | Very high | 8 Ų | 8 | 75.4 Ų | 75.4 | 4% | 0.035 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.8 | -39 | 177 | -91.8 | -103.3 | 0 | 0 | 0 | 112.1 | L251 K254 F255 L261 L269 V280 R287 R288 | L251-F284 HydrophobicContact CD2-CD2 4.5Å; L251-F284 HydrophobicContact CD2-CE2 3.99Å; K254-F284 HydrophobicContact CB-CZ 4.32Å; K254-F284 HydrophobicContact CG-CZ 4.12Å; F255-F284 HydrophobicContact CB-CE1 4.2Å; F255-F284 HydrophobicContact CB-CZ 4.31Å; F255-F284 AromaticContact CD2-CD1 3.85Å; F255-F284 HydrophobicContact CD2-CD1 3.85Å; F255-F284 AromaticContact CD2-CE1 3.78Å; F255-F284 HydrophobicContact CD2-CE1 3.78Å; F255-F284 HydrophobicContact CE2-CD1 4.49Å; F255-F284 HydrophobicContact CG-CE1 4.49Å; L261-F284 HydrophobicContact CD1-CD1 4.22Å; L261-F284 HydrophobicContact CD1-CD2 3.84Å; L261-F284 HydrophobicContact CD1-CE1 3.93Å; L261-F284 HydrophobicContact CD1-CE2 3.55Å; L261-F284 HydrophobicContact CD1-CG 4.19Å; L261-F284 HydrophobicContact CD1-CZ 3.61Å; L261-F284 HydrophobicContact CD2-CE1 4.05Å; L261-F284 HydrophobicContact CD2-CZ 4.09Å; L261-F284 HydrophobicContact CG-CD1 3.97Å; L261-F284 HydrophobicContact CG-CD2 4.48Å; L261-F284 HydrophobicContact CG-CE1 3.66Å; L261-F284 HydrophobicContact CG-CE2 4.24Å; L261-F284 HydrophobicContact CG-CG 4.38Å; L261-F284 HydrophobicContact CG-CZ 3.82Å; L269-F284 HydrophobicContact CD2-CE2 3.89Å; L269-F284 HydrophobicContact CD2-CZ 4.31Å; V280-F284 HydrophobicContact CG1-CD2 3.93Å; V280-F284 HydrophobicContact CG1-CE2 4.15Å; V280-F284 WeakPolarHBondContact O-CD2 3.4Å; V280-F284 PolarHBondContact O-N 2.76Å; F284-R287 PolarHBondContact O-N 3.01Å; F284-R288 WeakPolarHBondContact O-CG 3.38Å; F284-R288 PolarHBondContact O-N 3.38Å |
| 285 | Q | 98.5 | Very high | 97 | Very high | 88 Ų | 88 | 73 Ų | 73 | 41% | 0.411 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.1 | -48.7 | 174.4 | -176.8 | 56.4 | 63 | 0 | 0 | 112.1 | K281 I282 W283 R287 R288 T289 | K281-Q285 WeakPolarHBondContact O-CB 3.24Å; K281-Q285 PolarHBondContact O-N 3.3Å; I282-Q285 PolarHBondContact O-N 3.07Å; W283-Q285 VanDerWaalsContact C-N 3.33Å; W283-Q285 PolarHBondContact O-N 2.89Å; Q285-R287 VanDerWaalsContact C-N 3.31Å; Q285-R287 PolarHBondContact O-N 2.81Å; Q285-R288 PolarHBondContact O-N 2.83Å; Q285-T289 PolarHBondContact O-N 3.37Å; Q285-T289 VanDerWaalsContact O-N 3.16Å; Q285-T289 PolarHBondContact O-OG1 3.29Å; Q285-T289 VanDerWaalsContact O-OG1 3.13Å |
| 286 | N | 98.1 | Very high | 96.2 | Very high | 100 Ų | 100 | 77.4 Ų | 77.4 | 54% | 0.535 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 177.6 | -69.7 | -26.9 | 0 | 0 | 0 | 111.5 | I282 W283 T289 K290 | I282-N286 WeakPolarHBondContact O-CB 3.45Å; I282-N286 VanDerWaalsContact O-CG 3.25Å; I282-N286 PolarHBondContact O-N 3.46Å; I282-N286 PolarHBondContact O-ND2 3.04Å; W283-N286 PolarHBondContact O-N 3.45Å; N286-T289 PolarHBondContact O-N 3.22Å; N286-K290 PolarHBondContact O-N 3.4Å |
| 287 | R | 98.1 | Very high | 95.3 | Very high | 40 Ų | 40 | 75.9 Ų | 75.9 | 15% | 0.151 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 179 | -175.7 | 66.5 | -144.3 | -160.2 | -9.1 | 112.1 | E252 F255 W283 F284 Q285 K290 W291 | E252-R287 IonicContact OE1-CZ 3.9Å; E252-R287 IonicContact OE1-NE 3.08Å; E252-R287 IonicContact OE1-NH1 2.83Å; E252-R287 PolarHBondContact OE1-NH1 2.91Å; E252-R287 IonicContact OE1-NH2 2.74Å; E252-R287 PolarHBondContact OE1-NH2 2.65Å; E252-R287 WeakPolarHBondContact OE2-CD 3.22Å; E252-R287 IonicContact OE2-CZ 2.69Å; E252-R287 IonicContact OE2-NE 2.69Å; E252-R287 PolarHBondContact OE2-NE 3.48Å; E252-R287 IonicContact OE2-NH1 2.65Å; E252-R287 PolarHBondContact OE2-NH1 2.87Å; E252-R287 IonicContact OE2-NH2 2.91Å; F255-R287 HydrophobicContact CB-CG 4.38Å; F255-R287 HydrophobicContact CD1-CG 3.72Å; F255-R287 HydrophobicContact CD2-CB 4.18Å; F255-R287 HydrophobicContact CD2-CG 3.5Å; F255-R287 VanDerWaalsContact CD2-CG 3.5Å; F255-R287 HydrophobicContact CE1-CG 3.81Å; F255-R287 HydrophobicContact CE2-CB 4.13Å; F255-R287 HydrophobicContact CE2-CG 3.59Å; F255-R287 HydrophobicContact CG-CG 3.57Å; F255-R287 HydrophobicContact CZ-CG 3.75Å; W283-R287 HydrophobicContact CE3-CB 3.93Å; W283-R287 HydrophobicContact CE3-CG 4.4Å; W283-R287 HydrophobicContact CH2-CB 4.05Å; W283-R287 HydrophobicContact CH2-CG 3.7Å; W283-R287 HydrophobicContact CZ3-CB 3.67Å; W283-R287 HydrophobicContact CZ3-CG 3.64Å; W283-R287 VanDerWaalsContact O-CB 3.29Å; W283-R287 WeakPolarHBondContact O-CB 3.37Å; W283-R287 PolarHBondContact O-N 2.68Å; F284-R287 PolarHBondContact O-N 3.01Å; Q285-R287 VanDerWaalsContact C-N 3.31Å; Q285-R287 PolarHBondContact O-N 2.81Å; R287-K290 PolarHBondContact O-N 3.48Å; R287-W291 WeakPolarHBondContact O-CB 3.43Å; R287-W291 PolarHBondContact O-N 2.88Å |
| 288 | R | 97.6 | Very high | 94.1 | Very high | 61 Ų | 61 | 75.3 Ų | 75.3 | 23% | 0.23 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.4 | -46.3 | 172.6 | -72.6 | -173.6 | -61.5 | -146.4 | 6.5 | 112.1 | F255 R259 F284 Q285 K290 W291 K292 | F255-R288 HydrophobicContact CE2-CG 3.86Å; F255-R288 HydrophobicContact CZ-CG 4.3Å; R259-R288 WeakPolarHBondContact O-CD 3.39Å; F284-R288 WeakPolarHBondContact O-CG 3.38Å; F284-R288 PolarHBondContact O-N 3.38Å; Q285-R288 PolarHBondContact O-N 2.83Å; R288-K290 VanDerWaalsContact C-N 3.35Å; R288-K290 PolarHBondContact O-N 2.94Å; R288-W291 PolarHBondContact O-N 3.1Å; R288-K292 PolarHBondContact O-N 3.43Å |
| 289 | T | 97.6 | Very high | 92.4 | Very high | 83 Ų | 83 | 75.4 Ų | 75.4 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.7 | -43.9 | 178.1 | -57 | 0 | 0 | 0 | 0 | 111.9 | Q285 N286 K293 | Q285-T289 PolarHBondContact O-N 3.37Å; Q285-T289 VanDerWaalsContact O-N 3.16Å; Q285-T289 PolarHBondContact O-OG1 3.29Å; Q285-T289 VanDerWaalsContact O-OG1 3.13Å; N286-T289 PolarHBondContact O-N 3.22Å; T289-K293 PolarHBondContact O-N 2.91Å |
| 290 | K | 96.8 | Very high | 90.5 | Very high | 111 Ų | 111 | 78.7 Ų | 78.7 | 48% | 0.483 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 174.9 | -177.4 | -176.8 | 172.3 | -172.8 | 0 | 111.7 | N286 R287 R288 K292 K293 Q294 | N286-K290 PolarHBondContact O-N 3.4Å; R287-K290 PolarHBondContact O-N 3.48Å; R288-K290 VanDerWaalsContact C-N 3.35Å; R288-K290 PolarHBondContact O-N 2.94Å; K290-K292 PolarHBondContact O-N 3.34Å; K290-K293 PolarHBondContact O-N 3.14Å; K290-Q294 WeakPolarHBondContact O-CG 3.47Å; K290-Q294 PolarHBondContact O-N 3.24Å; K290-Q294 VanDerWaalsContact O-N 3.1Å |
| 291 | W | 95.7 | Very high | 88.2 | Confident | 40 Ų | 40 | 84.5 Ų | 84.5 | 15% | 0.152 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -59.8 | -46.1 | -179.4 | -179.8 | 82.2 | 0 | 0 | 0 | 111.9 | F255 R259 R287 R288 K293 Q294 N295 A298 D299 | F255-W291 HydrophobicContact CE1-CB 4.19Å; F255-W291 HydrophobicContact CE1-CG 4.16Å; F255-W291 HydrophobicContact CZ-CB 4.1Å; F255-W291 HydrophobicContact CZ-CG 4.29Å; R259-W291 VanDerWaalsContact CZ-CZ2 3.45Å; R287-W291 WeakPolarHBondContact O-CB 3.43Å; R287-W291 PolarHBondContact O-N 2.88Å; R288-W291 PolarHBondContact O-N 3.1Å; W291-K293 VanDerWaalsContact C-N 3.32Å; W291-K293 PolarHBondContact O-N 2.93Å; W291-Q294 PolarHBondContact O-N 3.39Å; W291-N295 HydrophobicContact CZ2-CB 4.18Å; W291-N295 PolarHBondContact NE1-ND2 3.14Å; W291-N295 PolarHBondContact O-N 2.95Å; W291-N295 PolarHBondContact O-ND2 3.32Å; W291-A298 HydrophobicContact CH2-CB 3.75Å; W291-A298 HydrophobicContact CZ2-CB 3.95Å; W291-D299 VanDerWaalsContact CZ3-OD1 3.22Å; W291-D299 WeakPolarHBondContact CZ3-OD1 3.36Å |
| 292 | K | 95 | Very high | 86 | Confident | 127 Ų | 127 | 82.7 Ų | 82.7 | 55% | 0.552 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -60 | -39.1 | 176.2 | -172.7 | 172.6 | 71.2 | 167.1 | 0 | 112.6 | R288 K290 Q294 N295 | R288-K292 PolarHBondContact O-N 3.43Å; K290-K292 PolarHBondContact O-N 3.34Å; K292-Q294 VanDerWaalsContact C-N 3.29Å; K292-Q294 PolarHBondContact O-N 2.76Å; K292-N295 PolarHBondContact O-N 2.95Å |
| 293 | K | 93.9 | Very high | 83.6 | Confident | 187 Ų | 187 | 85.1 Ų | 85.1 | 81% | 0.813 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67 | -29.3 | 175.4 | -174.5 | 175.3 | 179.1 | -179 | 0 | 112.8 | T289 K290 W291 | T289-K293 PolarHBondContact O-N 2.91Å; K290-K293 PolarHBondContact O-N 3.14Å; W291-K293 VanDerWaalsContact C-N 3.32Å; W291-K293 PolarHBondContact O-N 2.93Å |
| 294 | Q | 92.3 | Very high | 81.2 | Confident | 113 Ų | 113 | 89.7 Ų | 89.7 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -87.2 | -20 | -179.7 | -69.8 | -178.3 | -51.2 | 0 | 0 | 113.5 | K290 W291 K292 P296 | K290-Q294 WeakPolarHBondContact O-CG 3.47Å; K290-Q294 PolarHBondContact O-N 3.24Å; K290-Q294 VanDerWaalsContact O-N 3.1Å; W291-Q294 PolarHBondContact O-N 3.39Å; K292-Q294 VanDerWaalsContact C-N 3.29Å; K292-Q294 PolarHBondContact O-N 2.76Å; Q294-P296 WeakPolarHBondContact O-CD 3.47Å |
| 295 | N | 89.5 | Confident | 78.8 | Confident | 61 Ų | 61 | 93.9 Ų | 93.9 | 33% | 0.326 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -126.9 | 59.2 | -176.4 | -57 | -96 | 0 | 0 | 0 | 111 | W291 K292 G297 A298 | W291-N295 HydrophobicContact CZ2-CB 4.18Å; W291-N295 PolarHBondContact NE1-ND2 3.14Å; W291-N295 PolarHBondContact O-N 2.95Å; W291-N295 PolarHBondContact O-ND2 3.32Å; K292-N295 PolarHBondContact O-N 2.95Å; N295-G297 PolarHBondContact O-N 3.31Å; N295-A298 HydrophobicContact CB-CB 3.76Å; N295-A298 PolarHBondContact O-N 2.91Å; N295-A298 VanDerWaalsContact O-N 3.14Å |
| 296 | P | 81.7 | Confident | 76.1 | Confident | 115 Ų | 115 | 93.7 Ų | 93.7 | 75% | 0.747 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | 114.6 | 177.3 | 27.6 | -34.1 | 0 | 0 | 0 | 109.7 | Q294 | Q294-P296 WeakPolarHBondContact O-CD 3.47Š|
| 297 | G | 79.3 | Confident | 73.2 | Confident | 47 Ų | 47 | 92.9 Ų | 92.9 | 49% | 0.485 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 101.5 | -2.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116 | N295 D299 T300 | N295-G297 PolarHBondContact O-N 3.31Å; G297-D299 PolarHBondContact O-N 3.07Å; G297-T300 WeakPolarHBondContact O-CG2 3.48Å; G297-T300 PolarHBondContact O-OG1 3.49Å |
| 298 | A | 72.5 | Confident | 70.7 | Confident | 50 Ų | 50 | 96.3 Ų | 96.3 | 41% | 0.413 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.8 | -3.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114 | W291 N295 | W291-A298 HydrophobicContact CH2-CB 3.75Å; W291-A298 HydrophobicContact CZ2-CB 3.95Å; N295-A298 HydrophobicContact CB-CB 3.76Å; N295-A298 PolarHBondContact O-N 2.91Å; N295-A298 VanDerWaalsContact O-N 3.14Å |
| 299 | D | 62.5 | Low | 68 | Low | 77 Ų | 77 | 97.2 Ų | 97.2 | 41% | 0.412 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.9 | 1.1 | -176.8 | -55.4 | 12 | 0 | 0 | 0 | 111.9 | W291 G297 S301 A302 | W291-D299 VanDerWaalsContact CZ3-OD1 3.22Å; W291-D299 WeakPolarHBondContact CZ3-OD1 3.36Å; G297-D299 PolarHBondContact O-N 3.07Å; D299-S301 PolarHBondContact O-N 3.44Å; D299-A302 PolarHBondContact O-N 2.98Å |
| 300 | T | 59.7 | Low | 65 | Low | 120 Ų | 120 | 97.5 Ų | 97.5 | 74% | 0.736 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 11.8 | -167.2 | 40.5 | 0 | 0 | 0 | 0 | 116 | G297 A302 | G297-T300 WeakPolarHBondContact O-CG2 3.48Å; G297-T300 PolarHBondContact O-OG1 3.49Å; T300-A302 VanDerWaalsContact C-N 3.28Å |
| 301 | S | 49.9 | Very low | 62.6 | Low | 122 Ų | 122 | 97.3 Ų | 97.3 | 85% | 0.853 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -3.2 | 167.9 | -49.4 | 0 | 0 | 0 | 0 | 113.5 | D299 | D299-S301 PolarHBondContact O-N 3.44Š|
| 302 | A | 52 | Low | 59.8 | Low | 68 Ų | 68 | 99.6 Ų | 99.6 | 56% | 0.562 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -88.4 | 119.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | D299 T300 T304 | D299-A302 PolarHBondContact O-N 2.98Å; T300-A302 VanDerWaalsContact C-N 3.28Å; A302-T304 VanDerWaalsContact C-N 3.31Å; A302-T304 PolarHBondContact O-N 3.04Å |
| 303 | P | 47.1 | Very low | 56.9 | Low | 140 Ų | 140 | 97.7 Ų | 97.7 | 91% | 0.909 | 74% | 0.735 | S | S | * | * | | | trans | -77.6 | 82 | 175.4 | 32.7 | -34 | 0 | 0 | 0 | 109.9 | | |
| 304 | T | 47.8 | Very low | 54.5 | Low | 125 Ų | 125 | 93.7 Ų | 93.7 | 77% | 0.767 | 74% | 0.737 | S | S | * | * | | | trans | -117.2 | 116.1 | 160.9 | -170.3 | 0 | 0 | 0 | 0 | 109.1 | A302 | A302-T304 VanDerWaalsContact C-N 3.31Å; A302-T304 PolarHBondContact O-N 3.04Å |
| 305 | A | 48.8 | Very low | 51.9 | Low | 96 Ų | 96 | 92.4 Ų | 92.4 | 79% | 0.793 | 75% | 0.753 | S | S | * | * | | | trans | -71.4 | 157.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 306 | G | 42.1 | Very low | 49.6 | Very low | 85 Ų | 85 | 93.2 Ų | 93.2 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | | | trans | 89.5 | 102.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 307 | G | 37.4 | Very low | 47.4 | Very low | 82 Ų | 82 | 91.4 Ų | 91.4 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | | | trans | 157.8 | 32.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | G309 | G307-G309 PolarHBondContact O-N 3.41Š|
| 308 | A | 46 | Very low | 45.6 | Very low | 113 Ų | 113 | 96.1 Ų | 96.1 | 93% | 0.934 | 80% | 0.798 | S | S | * | * | | | trans | -74.6 | 124.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 309 | G | 39.4 | Very low | 44.1 | Very low | 80 Ų | 80 | 97.7 Ų | 97.7 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | | | trans | 155.2 | 111.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G307 | G307-G309 PolarHBondContact O-N 3.41Š|
| 310 | G | 36.3 | Very low | 43 | Very low | 88 Ų | 88 | 98.3 Ų | 98.3 | 91% | 0.907 | 84% | 0.844 | S | S | * | * | | | trans | 129.8 | 51.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 311 | A | 44.5 | Very low | 41.8 | Very low | 108 Ų | 108 | 96.4 Ų | 96.4 | 89% | 0.893 | 85% | 0.848 | S | S | * | * | | | trans | -118.9 | 126.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 312 | G | 38.3 | Very low | 41.4 | Very low | 87 Ų | 87 | 99.5 Ų | 99.5 | 90% | 0.897 | 85% | 0.854 | S | S | * | * | | | trans | 136.9 | 114.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 313 | G | 34.2 | Very low | 40.7 | Very low | 88 Ų | 88 | 99.9 Ų | 99.9 | 91% | 0.907 | 87% | 0.865 | S | S | * | * | | | trans | 161.8 | 46.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 314 | A | 42.6 | Very low | 40.4 | Very low | 103 Ų | 103 | 98.4 Ų | 98.4 | 85% | 0.851 | 86% | 0.857 | S | S | * | * | | | trans | -134.1 | 140.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 315 | G | 38.8 | Very low | 40.2 | Very low | 85 Ų | 85 | 100 Ų | 100 | 88% | 0.876 | 86% | 0.86 | S | S | * | * | | | trans | 91.1 | 139.7 | -164.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 316 | G | 40.1 | Very low | 40.2 | Very low | 79 Ų | 79 | 101 Ų | 101 | 81% | 0.814 | 86% | 0.862 | S | S | * | * | | | cis | 150.8 | 95.6 | 7.2 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 317 | G | 36.8 | Very low | 40.6 | Very low | 77 Ų | 77 | 102.8 Ų | 102.8 | 79% | 0.794 | 86% | 0.858 | S | S | * | * | | | trans | -94.2 | 122.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 318 | T | 40.3 | Very low | 40.6 | Very low | 146 Ų | 146 | 106.6 Ų | 106.6 | 90% | 0.896 | 86% | 0.858 | S | S | * | * | | | trans | -168.5 | 142.7 | 153.1 | 36.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 319 | G | 41.3 | Very low | 40.5 | Very low | 83 Ų | 83 | 105.7 Ų | 105.7 | 86% | 0.856 | 85% | 0.845 | S | S | * | * | | | trans | 99.2 | 104.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 320 | G | 38.8 | Very low | 40.7 | Very low | 90 Ų | 90 | 107.9 Ų | 107.9 | 93% | 0.928 | 84% | 0.844 | S | S | * | * | | | trans | -90.4 | 147.1 | 156.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 321 | G | 35.2 | Very low | 41 | Very low | 80 Ų | 80 | 108.2 Ų | 108.2 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | | | trans | -174 | 84 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 322 | L | 42.4 | Very low | 41.8 | Very low | 187 Ų | 187 | 108.6 Ų | 108.6 | 98% | 0.979 | 83% | 0.826 | S | S | * | * | | | trans | -1.1 | 129.8 | 161.2 | -55.8 | 168.9 | 0 | 0 | 0 | 118.6 | | |
| 323 | G | 37.1 | Very low | 42.5 | Very low | 76 Ų | 76 | 110.6 Ų | 110.6 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | | | trans | 143.2 | 129.7 | 144.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 324 | S | 40.9 | Very low | 43.3 | Very low | 108 Ų | 108 | 113 Ų | 113 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | | | trans | 81.1 | 102.6 | 154.6 | -142.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 325 | L | 43.5 | Very low | 43.1 | Very low | 158 Ų | 158 | 113.6 Ų | 113.6 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | | | trans | 59.1 | 118.4 | 136.7 | -54 | 176.6 | 0 | 0 | 0 | 120.1 | | |
| 326 | S | 47.3 | Very low | 43 | Very low | 119 Ų | 119 | 113 Ų | 113 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | | | trans | -62.8 | 148.1 | 161.3 | -52.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 327 | P | 51 | Low | 42.9 | Very low | 121 Ų | 121 | 117.7 Ų | 117.7 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | | | | -126.6 | 127.2 | 124.1 | 34.3 | -28 | 0 | 0 | 0 | 113.3 | | |
| 328 | L | 38.4 | Very low | 43.2 | Very low | 162 Ų | 162 | 120.6 Ų | 120.6 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | | | trans | 13.6 | 125.6 | 154.6 | -82.6 | 55.6 | 0 | 0 | 0 | 120.8 | | |
| 329 | S | 42.9 | Very low | 43.3 | Very low | 94 Ų | 94 | 117.9 Ų | 117.9 | 66% | 0.657 | 80% | 0.802 | S | S | * | * | | | trans | -30.6 | 132.1 | 150.9 | 174.4 | 0 | 0 | 0 | 0 | 116 | S331 | S329-S331 PolarHBondContact O-N 3.38Š|
| 330 | P | 44.7 | Very low | 43.4 | Very low | 126 Ų | 126 | 122.9 Ų | 122.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -81.6 | 101.5 | 155.7 | 32.5 | -28.2 | 0 | 0 | 0 | 109.8 | | |
| 331 | S | 41 | Very low | 43.6 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 67% | 0.671 | 80% | 0.803 | S | S | * | * | | | trans | -65.3 | 145.2 | 169.7 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | S329 | S329-S331 PolarHBondContact O-N 3.38Š|
| 332 | P | 62.4 | Low | 43.6 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | trans | -68.8 | 140.9 | 169.1 | 29.8 | -33.8 | 0 | 0 | 0 | 110.3 | V334 | P332-V334 PolarHBondContact O-N 3.49Š|
| 333 | P | 53.5 | Low | 43.4 | Very low | 129 Ų | 129 | 123 Ų | 123 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | | | trans | -73.8 | 109.9 | 175.5 | 29.4 | -32.9 | 0 | 0 | 0 | 110.4 | | |
| 334 | V | 51.3 | Low | 43.5 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | | | trans | -94.2 | 132.6 | 155.7 | 66.3 | 0 | 0 | 0 | 0 | 108 | P332 | P332-V334 PolarHBondContact O-N 3.49Š|
| 335 | S | 38.3 | Very low | 43.5 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | | | trans | -144.8 | 103.2 | 176.7 | -80.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 336 | G | 36.9 | Very low | 43.3 | Very low | 74 Ų | 74 | 126.6 Ų | 126.6 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | | | trans | 75.7 | 146.3 | 159 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 337 | H | 37.4 | Very low | 43.3 | Very low | 176 Ų | 176 | 130 Ų | 130 | 82% | 0.815 | 80% | 0.802 | S | S | * | * | | | cis | -164.3 | 165.6 | -14 | -169.1 | -138.6 | 0 | 0 | 0 | 108.5 | | |
| 338 | L | 42 | Very low | 42.9 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 72% | 0.723 | 80% | 0.803 | S | S | * | * | | | trans | 76.2 | 89.5 | 169.2 | -54.2 | 177.6 | 0 | 0 | 0 | 119.2 | | |
| 339 | A | 43.2 | Very low | 43.2 | Very low | 89 Ų | 89 | 132.1 Ų | 132.1 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | | | | 24.5 | 125 | 119.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 340 | M | 42.5 | Very low | 43.7 | Very low | 189 Ų | 189 | 133.1 Ų | 133.1 | 93% | 0.931 | 80% | 0.801 | S | S | * | * | | | trans | -140.6 | 139.6 | 134.6 | -96.7 | -59.7 | 160.2 | 0 | 0 | 111.1 | | |
| 341 | H | 44.1 | Very low | 44 | Very low | 189 Ų | 189 | 132.6 Ų | 132.6 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | | | trans | -68.9 | 150.7 | 172.8 | -100.6 | -133.8 | 0 | 0 | 0 | 111.5 | | |
| 342 | A | 35.6 | Very low | 44.2 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | | | trans | -142.8 | 104 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 343 | G | 36.5 | Very low | 43.3 | Very low | 59 Ų | 59 | 132.9 Ų | 132.9 | 61% | 0.608 | 81% | 0.81 | S | S | * | * | | | trans | -169 | 72.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 344 | Y | 39.8 | Very low | 42.6 | Very low | 235 Ų | 235 | 132.6 Ų | 132.6 | 92% | 0.922 | 81% | 0.81 | S | S | * | * | | | trans | 70.1 | 136.6 | 161.4 | -63.5 | -83 | 0 | 0 | 0 | 121.5 | | |
| 345 | A | 40.5 | Very low | 42 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 88% | 0.884 | 81% | 0.81 | S | S | * | * | | | trans | 68.5 | 128.9 | 155 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 346 | G | 39.9 | Very low | 42.4 | Very low | 75 Ų | 75 | 134.3 Ų | 134.3 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | trans | 142.7 | 115.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 347 | H | 47.9 | Very low | 42.7 | Very low | 190 Ų | 190 | 139.1 Ų | 139.1 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | | | trans | -51 | 140.1 | 172.3 | -57.2 | -79.2 | 0 | 0 | 0 | 114.4 | | |
| 348 | H | 41.3 | Very low | 43.4 | Very low | 173 Ų | 173 | 137.8 Ų | 137.8 | 80% | 0.801 | 81% | 0.81 | S | S | * | * | | | | -177.1 | 175.3 | 117.4 | 54 | -84.4 | 0 | 0 | 0 | 113.2 | | |
| 349 | H | 45.1 | Very low | 44.1 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 72% | 0.718 | 81% | 0.813 | S | S | * | * | | | trans | -80.4 | 170.7 | -169.2 | 51.5 | -106.4 | 0 | 0 | 0 | 114.2 | | |
| 350 | P | 54.8 | Low | 43.8 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | | | trans | -92.4 | 162.5 | -174.7 | 37.2 | -35.3 | 0 | 0 | 0 | 113.8 | | |
| 351 | P | 51 | Low | 44.1 | Very low | 116 Ų | 116 | 141 Ų | 141 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | | | trans | -122.8 | 124.5 | 148.2 | 32.4 | -19.8 | 0 | 0 | 0 | 112.9 | | |
| 352 | T | 44.5 | Very low | 44.1 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | | | trans | 5.1 | 122.6 | 142 | 53.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 353 | G | 42.7 | Very low | 44.5 | Very low | 82 Ų | 82 | 137.3 Ų | 137.3 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | | | | 79.9 | 111.6 | 128.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 354 | S | 38.6 | Very low | 45 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | | | trans | -150.1 | 110.1 | 141.1 | -165.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 355 | L | 39.3 | Very low | 45.4 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 82% | 0.817 | 81% | 0.808 | S | S | * | * | | | trans | -97.6 | 114.9 | -180 | -159.6 | 170.4 | 0 | 0 | 0 | 106.5 | Q357 | L355-Q357 PolarHBondContact O-N 2.74Š|
| 356 | V | 45.9 | Very low | 45.7 | Very low | 134 Ų | 134 | 137.2 Ų | 137.2 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | trans | -67.7 | 111.9 | -178.2 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | L358 | V356-L358 PolarHBondContact O-N 3.5Š|
| 357 | Q | 43.6 | Very low | 46 | Very low | 174 Ų | 174 | 141.4 Ų | 141.4 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | | | trans | -76.2 | 115.1 | -170.5 | -177.7 | 171.8 | -51.6 | 0 | 0 | 111.5 | L355 | L355-Q357 PolarHBondContact O-N 2.74Š|
| 358 | L | 53.5 | Low | 45.8 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 135.6 | 161.6 | -67.8 | 172.4 | 0 | 0 | 0 | 108.8 | V356 F360 | V356-L358 PolarHBondContact O-N 3.5Å; L358-F360 PolarHBondContact O-N 3.19Å |
| 359 | P | 55.1 | Low | 46.4 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 126.5 | 179 | 27.4 | -32.9 | 0 | 0 | 0 | 111 | | |
| 360 | F | 38.3 | Very low | 46.5 | Very low | 186 Ų | 186 | 136.6 Ų | 136.6 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 135.1 | 173.6 | -82.6 | -109.6 | 0 | 0 | 0 | 111.4 | L358 T362 | L358-F360 PolarHBondContact O-N 3.19Å; F360-T362 HydrophobicContact CB-CG2 4.1Å; F360-T362 HydrophobicContact CD1-CG2 4.41Å |
| 361 | L | 47.3 | Very low | 46.4 | Very low | 179 Ų | 179 | 139.4 Ų | 139.4 | 94% | 0.937 | 81% | 0.806 | S | S | * | * | | | trans | -96.5 | 113.8 | 145 | -94.3 | 161.2 | 0 | 0 | 0 | 107.5 | | |
| 362 | T | 44.6 | Very low | 46.3 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | | | trans | -88.2 | 110.5 | -179 | 52.9 | 0 | 0 | 0 | 0 | 110.6 | F360 | F360-T362 HydrophobicContact CB-CG2 4.1Å; F360-T362 HydrophobicContact CD1-CG2 4.41Å |
| 363 | A | 45.1 | Very low | 46.2 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | | | trans | -149.1 | 83.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 364 | S | 46.9 | Very low | 46.5 | Very low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | -65.9 | 127.2 | 168.3 | 48.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 365 | H | 46.5 | Very low | 46.7 | Very low | 179 Ų | 179 | 143.4 Ų | 143.4 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | | | trans | -161.9 | 94.7 | 143.1 | -91.5 | -55.6 | 0 | 0 | 0 | 113.2 | | |
| 366 | V | 48.1 | Very low | 47 | Very low | 117 Ų | 117 | 140 Ų | 140 | 71% | 0.709 | 79% | 0.792 | S | S | * | * | | | trans | 51 | 143.6 | 134.5 | -110.4 | 0 | 0 | 0 | 0 | 124.3 | | |
| 367 | L | 45.6 | Very low | 46.9 | Very low | 162 Ų | 162 | 144.3 Ų | 144.3 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | | | trans | 68.8 | 146.1 | 171.5 | -77.3 | 77.5 | 0 | 0 | 0 | 116.7 | | |
| 368 | S | 43.8 | Very low | 46.9 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | cis | -167.8 | 163.9 | -27.6 | -140.3 | 0 | 0 | 0 | 0 | 107.3 | | |
| 369 | P | 53.7 | Low | 46.6 | Very low | 111 Ų | 111 | 138 Ų | 138 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | | | trans | -89.4 | 153.7 | -163.8 | 35.8 | -35.3 | 0 | 0 | 0 | 114.5 | | |
| 370 | F | 46.8 | Very low | 46.6 | Very low | 198 Ų | 198 | 138.3 Ų | 138.3 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | | | trans | -141.6 | 78.6 | 155.2 | -137.6 | -87.8 | 0 | 0 | 0 | 112.2 | | |
| 371 | M | 52.9 | Low | 47 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | | | trans | -109.8 | 111.9 | 151.4 | -76.9 | -165.5 | 74.1 | 0 | 0 | 107.9 | | |
| 372 | L | 49.8 | Very low | 47 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | 169.2 | 143.2 | 144 | -113.4 | 65.6 | 0 | 0 | 0 | 108.3 | | |
| 373 | G | 42.1 | Very low | 47.4 | Very low | 74 Ų | 74 | 139.5 Ų | 139.5 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | | | trans | 162.3 | 40.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | Q375 | G373-Q375 PolarHBondContact O-N 3.41Š|
| 374 | T | 49.7 | Very low | 47.6 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | | | trans | -83.6 | 99.6 | 168.7 | 49.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 375 | Q | 42.9 | Very low | 47.9 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | | | trans | -158.8 | 134.7 | 146.3 | -68.8 | -51.6 | 0.9 | 0 | 0 | 107 | G373 | G373-Q375 PolarHBondContact O-N 3.41Š|
| 376 | S | 44.7 | Very low | 48 | Very low | 85 Ų | 85 | 141.8 Ų | 141.8 | 59% | 0.594 | 80% | 0.799 | S | S | * | * | | | cis | 80.2 | 120.5 | 47.4 | -147.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 377 | Y | 44.1 | Very low | 48.2 | Very low | 224 Ų | 224 | 147.5 Ų | 147.5 | 88% | 0.878 | 82% | 0.824 | S | S | * | * | | | trans | 63.6 | 115.3 | 176.2 | -67.8 | -90.4 | 0 | 0 | 0 | 120.1 | | |
| 378 | A | 43.1 | Very low | 48.3 | Very low | 98 Ų | 98 | 146.8 Ų | 146.8 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | | | | 169.6 | 145.5 | 99.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 379 | A | 47.7 | Very low | 48.6 | Very low | 93 Ų | 93 | 148.8 Ų | 148.8 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 146 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A381 | A379-A381 PolarHBondContact O-N 3.5Š|
| 380 | P | 54.2 | Low | 48.3 | Very low | 126 Ų | 126 | 150.9 Ų | 150.9 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 125.3 | 168.7 | -14.6 | 29.9 | 0 | 0 | 0 | 110.6 | | |
| 381 | A | 48.2 | Very low | 48.4 | Very low | 82 Ų | 82 | 148.1 Ų | 148.1 | 68% | 0.678 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 144.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A379 Y383 | A379-A381 PolarHBondContact O-N 3.5Å; A381-Y383 PolarHBondContact O-N 3.31Å |
| 382 | F | 47.1 | Very low | 48.1 | Very low | 204 Ų | 204 | 146.5 Ų | 146.5 | 90% | 0.895 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 124.5 | 172.4 | -65.3 | -96.8 | 0 | 0 | 0 | 110.2 | | |
| 383 | Y | 53.2 | Low | 48 | Very low | 225 Ų | 225 | 145.7 Ų | 145.7 | 88% | 0.882 | 83% | 0.828 | S | S | * | * | | | trans | -94.6 | 107.8 | 157.4 | -76.6 | -82.3 | 0 | 0 | 0 | 108.2 | A381 | A381-Y383 PolarHBondContact O-N 3.31Š|
| 384 | S | 48.7 | Very low | 48.4 | Very low | 114 Ų | 114 | 150.8 Ų | 150.8 | 80% | 0.797 | 83% | 0.833 | S | S | * | * | | | trans | -100.7 | 117.3 | 163.9 | -171.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 385 | T | 53.8 | Low | 48.3 | Very low | 138 Ų | 138 | 152.1 Ų | 152.1 | 85% | 0.847 | 83% | 0.834 | S | S | * | * | | | trans | -69.2 | 133.7 | -179.1 | -36.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 386 | H | 48.2 | Very low | 48.7 | Very low | 178 Ų | 178 | 150.3 Ų | 150.3 | 82% | 0.824 | 84% | 0.836 | S | S | * | * | | | trans | -122.4 | 102 | 170.6 | -140.7 | -64.5 | 0 | 0 | 0 | 107.3 | | |
| 387 | L | 52.2 | Low | 49.1 | Very low | 237 Ų | 237 | 156.3 Ų | 156.3 | 100% | 1.241 | 86% | 0.858 | S | S | * | * | | | trans | 174.2 | 0 | 138.3 | -111.7 | 100.8 | 0 | 0 | 0 | 109 | | |