| 1 | N | 33.8 | Very low | 40.3 | Very low | 216 Ų | 216 | 169.2 Ų | 169.2 | 100% | 1.155 | 87% | 0.865 | S | S | * | * | | | | 0 | 139.9 | 0 | -61.6 | -1.1 | 0 | 0 | 0 | 109 | | |
| 2 | S | 40.8 | Very low | 39.9 | Very low | 120 Ų | 120 | 164.2 Ų | 164.2 | 84% | 0.839 | 86% | 0.857 | S | S | * | * | | | trans | -83.2 | 159.4 | -158.4 | -38.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 3 | P | 45.4 | Very low | 40.5 | Very low | 120 Ų | 120 | 161.6 Ų | 161.6 | 78% | 0.779 | 86% | 0.856 | S | S | * | * | | | trans | -127.6 | 104.4 | 143.7 | 33.4 | -20.1 | 0 | 0 | 0 | 112.9 | | |
| 4 | I | 41.8 | Very low | 39.9 | Very low | 154 Ų | 154 | 156.8 Ų | 156.8 | 79% | 0.79 | 85% | 0.851 | S | S | * | * | | | | 42.1 | 123.7 | 125.6 | -60.5 | 166.7 | 0 | 0 | 0 | 118.7 | | |
| 5 | H | 39.1 | Very low | 39.8 | Very low | 184 Ų | 184 | 159.9 Ų | 159.9 | 85% | 0.852 | 85% | 0.853 | S | S | * | * | | | trans | -66.2 | 151.3 | 167.3 | -67.8 | -94.8 | 0 | 0 | 0 | 113.2 | | |
| 6 | H | 42.4 | Very low | 39.3 | Very low | 183 Ų | 183 | 158.9 Ų | 158.9 | 85% | 0.847 | 86% | 0.855 | S | S | * | * | | | trans | -139.1 | 143 | 155.7 | -119.3 | -86.2 | 0 | 0 | 0 | 111.9 | | |
| 7 | I | 41.9 | Very low | 39.1 | Very low | 148 Ų | 148 | 158.6 Ų | 158.6 | 76% | 0.759 | 85% | 0.851 | S | S | * | * | | | trans | -105.3 | 130.2 | -176.7 | -59 | 166.9 | 0 | 0 | 0 | 109.4 | | |
| 8 | P | 43.9 | Very low | 38.7 | Very low | 121 Ų | 121 | 156.9 Ų | 156.9 | 79% | 0.786 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 130.5 | 165.8 | 32.1 | -30.3 | 0 | 0 | 0 | 110.9 | | |
| 9 | S | 33.3 | Very low | 39 | Very low | 121 Ų | 121 | 155.1 Ų | 155.1 | 85% | 0.846 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 165.2 | -177.9 | -166.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 10 | R | 42.5 | Very low | 38.6 | Very low | 239 Ų | 239 | 156.8 Ų | 156.8 | 90% | 0.902 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 142.4 | -178 | -63.7 | 169.9 | 168.8 | -120 | 0.2 | 112.5 | | |
| 11 | R | 38.5 | Very low | 38.2 | Very low | 255 Ų | 255 | 157.3 Ų | 157.3 | 96% | 0.962 | 85% | 0.849 | S | S | * | * | | | trans | -146 | 151.9 | 150.9 | -101 | -173.7 | -178.8 | -148 | -1.5 | 111.5 | | |
| 12 | S | 35.6 | Very low | 38.3 | Very low | 109 Ų | 109 | 151.2 Ų | 151.2 | 76% | 0.762 | 83% | 0.829 | S | S | * | * | | | trans | -104.8 | 155.3 | -178.8 | 43 | 0 | 0 | 0 | 0 | 112 | | |
| 13 | P | 47.2 | Very low | 38.8 | Very low | 131 Ų | 131 | 151.1 Ų | 151.1 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | | | trans | -85.1 | 153.8 | 174.4 | 34.8 | -34.4 | 0 | 0 | 0 | 112.2 | | |
| 14 | A | 32 | Very low | 38 | Very low | 94 Ų | 94 | 155.5 Ų | 155.5 | 78% | 0.777 | 83% | 0.826 | S | S | * | * | | | trans | -143.8 | 133.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 15 | K | 39 | Very low | 37.4 | Very low | 204 Ų | 204 | 154.5 Ų | 154.5 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | | | trans | 25.6 | 116.8 | 156.1 | -58.6 | -176.4 | -179.9 | -177.2 | 0 | 119.3 | | |
| 16 | T | 32.1 | Very low | 37.2 | Very low | 144 Ų | 144 | 153.1 Ų | 153.1 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | | | trans | -89.1 | 140.3 | 164.6 | -49.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 17 | I | 35.8 | Very low | 36.7 | Very low | 154 Ų | 154 | 148.3 Ų | 148.3 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | | | trans | -134.5 | 147.3 | 167.6 | -65.7 | -178.5 | 0 | 0 | 0 | 108.8 | | |
| 18 | T | 31.8 | Very low | 36.3 | Very low | 128 Ų | 128 | 151.8 Ų | 151.8 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 147.6 | -177.5 | 44.1 | 0 | 0 | 0 | 0 | 114 | | |
| 19 | P | 44.1 | Very low | 35.7 | Very low | 121 Ų | 121 | 149.7 Ų | 149.7 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 139.6 | 171.1 | 34.1 | -32.5 | 0 | 0 | 0 | 112.7 | | |
| 20 | Q | 32 | Very low | 35.8 | Very low | 189 Ų | 189 | 155.7 Ų | 155.7 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 149.6 | 152.8 | -74.6 | -173.8 | -72.6 | 0 | 0 | 109.1 | | |
| 21 | N | 30 | Very low | 35.1 | Very low | 168 Ų | 168 | 149.8 Ų | 149.8 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | | | trans | -150.1 | 141.8 | 155.6 | -95.9 | -47.6 | 0 | 0 | 0 | 110.4 | | |
| 22 | A | 35.2 | Very low | 35.1 | Very low | 89 Ų | 89 | 142.1 Ų | 142.1 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | trans | -124.4 | -162.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 23 | P | 50.6 | Low | 34.8 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | | | cis | -142.2 | -153.5 | 14.9 | 44.3 | -22.7 | 0 | 0 | 0 | 114.9 | | |
| 24 | R | 29.9 | Very low | 34.1 | Very low | 213 Ų | 213 | 149.9 Ų | 149.9 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | 78.7 | 137.2 | 167.6 | -92.9 | -177.4 | 117.5 | 134.6 | -1.4 | 116.2 | | |
| 25 | E | 29.1 | Very low | 35 | Very low | 133 Ų | 133 | 151.4 Ų | 151.4 | 62% | 0.621 | 79% | 0.792 | S | S | * | * | | | cis | -147.4 | 160.9 | 18.6 | -109.2 | 179.7 | 178.7 | 0 | 0 | 116.5 | | |
| 26 | E | 34 | Very low | 34.6 | Very low | 155 Ų | 155 | 151 Ų | 151 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | | | trans | 39.9 | 111.5 | 143.8 | -69.3 | -147.3 | 172 | 0 | 0 | 126.2 | | |
| 27 | S | 32.7 | Very low | 34.5 | Very low | 82 Ų | 82 | 147.6 Ų | 147.6 | 57% | 0.573 | 79% | 0.787 | S | S | * | * | | | | 131.7 | 150.6 | 100.1 | 72.8 | 0 | 0 | 0 | 0 | 120.3 | | |
| 28 | R | 33.9 | Very low | 34.3 | Very low | 221 Ų | 221 | 146.7 Ų | 146.7 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | | | trans | 65.8 | 108.5 | 154.5 | -67.3 | 164 | -174.5 | 100.5 | -3.3 | 121.4 | | |
| 29 | G | 30.9 | Very low | 34.4 | Very low | 76 Ų | 76 | 147.9 Ų | 147.9 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | | | | 116.6 | 122.5 | 101.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 30 | R | 34.4 | Very low | 33.9 | Very low | 248 Ų | 248 | 150 Ų | 150 | 94% | 0.936 | 78% | 0.78 | S | S | * | * | | | trans | 18.7 | 135.5 | 151 | -72.1 | -179.5 | 165.2 | -154.6 | -2.5 | 119.1 | | |
| 31 | S | 29.4 | Very low | 34 | Very low | 114 Ų | 114 | 147.6 Ų | 147.6 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | | -171.2 | 165.9 | 59 | -164.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 32 | S | 37.3 | Very low | 34.4 | Very low | 95 Ų | 95 | 143.7 Ų | 143.7 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | | | trans | -95.3 | 151.4 | 169.7 | -179.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 33 | F | 29.6 | Very low | 34.6 | Very low | 199 Ų | 199 | 148.4 Ų | 148.4 | 87% | 0.873 | 77% | 0.773 | S | S | * | * | | | trans | -156 | 137.8 | 148 | -109.9 | -75.9 | 0 | 0 | 0 | 110.6 | | |
| 34 | Y | 33 | Very low | 33.7 | Very low | 204 Ų | 204 | 149.9 Ų | 149.9 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | | | trans | -126.2 | 160.6 | 165.9 | -114.3 | -82.6 | 0 | 0 | 0 | 107.2 | | |
| 35 | P | 49.4 | Very low | 33.8 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | | | | -138.8 | 175.8 | 118.3 | 37.6 | -25.9 | 0 | 0 | 0 | 114.7 | | |
| 36 | E | 30.8 | Very low | 34.6 | Very low | 196 Ų | 196 | 146.6 Ų | 146.6 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | | | trans | -105.5 | 164.6 | -171.5 | 175.1 | 176.2 | -131.2 | 0 | 0 | 111.5 | | |
| 37 | G | 30.7 | Very low | 34.7 | Very low | 73 Ų | 73 | 148.9 Ų | 148.9 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | | | trans | 172.3 | 69.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 38 | D | 31.5 | Very low | 34.8 | Very low | 135 Ų | 135 | 152.6 Ų | 152.6 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | trans | 45.8 | 115.2 | 148.9 | -80.8 | -22.2 | 0 | 0 | 0 | 125.8 | | |
| 39 | Q | 33.6 | Very low | 35.2 | Very low | 152 Ų | 152 | 150.7 Ų | 150.7 | 71% | 0.71 | 81% | 0.805 | S | S | * | * | | | | 73.5 | 128.5 | 116.5 | -71.3 | -178.4 | 66.7 | 0 | 0 | 125.5 | | |
| 40 | E | 33.8 | Very low | 35.5 | Very low | 166 Ų | 166 | 157.1 Ų | 157.1 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | trans | 51 | 125.4 | 149 | -53 | -155.4 | 143.3 | 0 | 0 | 120.9 | | |
| 41 | T | 34.1 | Very low | 35.4 | Very low | 138 Ų | 138 | 155.4 Ų | 155.4 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | | | | -155 | 164.1 | 56.9 | 35.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 42 | A | 37.6 | Very low | 35.7 | Very low | 87 Ų | 87 | 156.4 Ų | 156.4 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | | | trans | -81.8 | 148.3 | -164.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 43 | K | 40.7 | Very low | 35.6 | Very low | 188 Ų | 188 | 158.7 Ų | 158.7 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | | | | 176.1 | 135.8 | 113.8 | -91.3 | 149.7 | -168.1 | 169.3 | 0 | 114.4 | | |
| 44 | T | 31.7 | Very low | 36 | Very low | 147 Ų | 147 | 156.9 Ų | 156.9 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | | | trans | 58.9 | 150.7 | 157.8 | 53.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 45 | G | 31.9 | Very low | 36.3 | Very low | 60 Ų | 60 | 155.6 Ų | 155.6 | 62% | 0.619 | 81% | 0.807 | S | S | * | * | | | cis | 161.1 | 82.6 | -3.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 46 | K | 45.7 | Very low | 35.4 | Very low | 218 Ų | 218 | 154.1 Ų | 154.1 | 95% | 0.948 | 80% | 0.8 | S | S | * | * | | | trans | -62.6 | 141 | -173.4 | -56.3 | 169.9 | -175.6 | 174 | 0 | 112.6 | | |
| 47 | F | 36.4 | Very low | 35.6 | Very low | 203 Ų | 203 | 155.3 Ų | 155.3 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | | | trans | -135.5 | 134.6 | 159.8 | 52.1 | -95.1 | 0 | 0 | 0 | 113.4 | | |
| 48 | L | 35.3 | Very low | 35.9 | Very low | 159 Ų | 159 | 158.4 Ų | 158.4 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -145.6 | 106.1 | 176.6 | 172.2 | 67.4 | 0 | 0 | 0 | 108.9 | | |
| 49 | K | 42.4 | Very low | 36 | Very low | 182 Ų | 182 | 161 Ų | 161 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | | | trans | -159.3 | 120.4 | 166.3 | -105.5 | 160.6 | 177.1 | 179.3 | 0 | 106.3 | | |
| 50 | R | 37.1 | Very low | 36.2 | Very low | 210 Ų | 210 | 161.3 Ų | 161.3 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | | | | 67.7 | 108 | 60 | -67.2 | -161.5 | -75.9 | 155.8 | -9.8 | 112.4 | | |
| 51 | F | 31.3 | Very low | 36.3 | Very low | 212 Ų | 212 | 161.9 Ų | 161.9 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | | | trans | -75.1 | 159 | 167.5 | -68.2 | -96.2 | 0 | 0 | 0 | 111.6 | | |
| 52 | T | 35.4 | Very low | 36 | Very low | 135 Ų | 135 | 162.1 Ų | 162.1 | 83% | 0.828 | 81% | 0.814 | S | S | * | * | | | trans | -148.5 | 159.1 | 161.1 | 47.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 53 | D | 36.3 | Very low | 35.9 | Very low | 144 Ų | 144 | 169.8 Ų | 169.8 | 77% | 0.77 | 83% | 0.825 | S | S | * | * | | | trans | -89.9 | -153.3 | -168.4 | -84.5 | -70.9 | 0 | 0 | 0 | 114.4 | | |
| 54 | E | 36.8 | Very low | 35.3 | Very low | 160 Ų | 160 | 164.1 Ų | 164.1 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | | | trans | 89.2 | 82.8 | 167.4 | -76.8 | 67.6 | -116.4 | 0 | 0 | 119.9 | | |
| 55 | E | 40.2 | Very low | 35.3 | Very low | 177 Ų | 177 | 164 Ų | 164 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | | | | 54.5 | 152.9 | 122 | -61.6 | -162.9 | 151.5 | 0 | 0 | 124.3 | | |
| 56 | S | 30.8 | Very low | 35.3 | Very low | 94 Ų | 94 | 167.9 Ų | 167.9 | 66% | 0.657 | 82% | 0.819 | S | S | * | * | | | trans | 80.4 | 106.5 | 151.3 | 78.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 57 | R | 35.2 | Very low | 34.5 | Very low | 222 Ų | 222 | 166.6 Ų | 166.6 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | | | | -168 | 150.4 | 125.5 | -112.1 | 151.5 | -78.9 | -171.5 | -6.8 | 112.4 | | |
| 58 | V | 36.3 | Very low | 34.2 | Very low | 137 Ų | 137 | 162.6 Ų | 162.6 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | | | trans | -131.2 | 141.4 | -178.2 | -164 | 0 | 0 | 0 | 0 | 108.4 | | |
| 59 | F | 33 | Very low | 34.2 | Very low | 189 Ų | 189 | 164.9 Ų | 164.9 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | | | trans | -141.2 | 142.6 | 171.3 | -89.7 | -76.7 | 0 | 0 | 0 | 112.8 | | |
| 60 | L | 37.6 | Very low | 33.5 | Very low | 160 Ų | 160 | 165.2 Ų | 165.2 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | | | trans | -85.4 | 160.6 | 169.5 | -68.3 | 103.7 | 0 | 0 | 0 | 111.1 | | |
| 61 | L | 36.3 | Very low | 33.3 | Very low | 178 Ų | 178 | 159.5 Ų | 159.5 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | | | trans | -150.1 | 136.6 | 142.6 | -112 | 166.3 | 0 | 0 | 0 | 110.3 | | |
| 62 | D | 28.3 | Very low | 33.5 | Very low | 142 Ų | 142 | 155.1 Ų | 155.1 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | | | trans | -127.9 | 126.6 | 179 | 167.5 | 37.9 | 0 | 0 | 0 | 109.9 | | |
| 63 | R | 35 | Very low | 33.3 | Very low | 249 Ų | 249 | 157.6 Ų | 157.6 | 94% | 0.94 | 79% | 0.793 | S | S | * | * | | | trans | -172.7 | 155.3 | 156.4 | -124.7 | 172.1 | 171.7 | 162.6 | -2.8 | 110.2 | | |
| 64 | G | 28.9 | Very low | 32.9 | Very low | 69 Ų | 69 | 157.7 Ų | 157.7 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | trans | -162.9 | -165.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 65 | N | 30.6 | Very low | 32.6 | Very low | 145 Ų | 145 | 158.7 Ų | 158.7 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | | | trans | 69.8 | 134.5 | 175.9 | -164.3 | 17.4 | 0 | 0 | 0 | 117 | | |
| 66 | I | 31.8 | Very low | 32 | Very low | 141 Ų | 141 | 153.8 Ų | 153.8 | 72% | 0.723 | 79% | 0.788 | S | S | * | * | | | trans | 158.8 | 101.4 | 130.1 | -80.2 | 163.7 | 0 | 0 | 0 | 112 | | |
| 67 | R | 29.6 | Very low | 31.8 | Very low | 190 Ų | 190 | 154.4 Ų | 154.4 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | | | | 62.5 | 134 | 127.2 | -64.4 | 179.5 | 60 | -150.5 | -11.3 | 124.6 | | |
| 68 | D | 30.3 | Very low | 31.5 | Very low | 119 Ų | 119 | 150.8 Ų | 150.8 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | | | trans | 51.4 | 125.3 | 132.2 | -40 | -18.2 | 0 | 0 | 0 | 122.5 | | |
| 69 | K | 34.9 | Very low | 31.2 | Very low | 207 Ų | 207 | 153.3 Ų | 153.3 | 90% | 0.9 | 78% | 0.784 | S | S | * | * | | | | -166.9 | 155.8 | 124.1 | -97.5 | -79 | 177.6 | 175.5 | 0 | 110.4 | | |
| 70 | E | 28.5 | Very low | 31 | Very low | 190 Ų | 190 | 147.6 Ų | 147.6 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | | | trans | -104.5 | 175 | -165.8 | -59.4 | 169.5 | 107.7 | 0 | 0 | 114 | | |
| 71 | A | 32.2 | Very low | 30.7 | Very low | 89 Ų | 89 | 150.8 Ų | 150.8 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | | | trans | -138.8 | 136 | 170 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 72 | P | 34.7 | Very low | 30.3 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | | | trans | -87.3 | 132.8 | 157.9 | 33.8 | -28.5 | 0 | 0 | 0 | 109.6 | | |
| 73 | K | 31.3 | Very low | 30.4 | Very low | 187 Ų | 187 | 141.4 Ų | 141.4 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | | | | 81.3 | 105.8 | 57.5 | -80.7 | -164 | 176.4 | 180 | 0 | 115.5 | | |
| 74 | E | 28.5 | Very low | 30.1 | Very low | 145 Ų | 145 | 132 Ų | 132 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | | | | -169.3 | 160.5 | 123.6 | -90.4 | -33.6 | 70.4 | 0 | 0 | 106.8 | | |
| 75 | K | 30.8 | Very low | 30.4 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | | | cis | 111.2 | 149 | 14.2 | -90.2 | -133.6 | -156.6 | 177.7 | 0 | 114.2 | | |
| 76 | G | 26.8 | Very low | 30.4 | Very low | 74 Ų | 74 | 137.7 Ų | 137.7 | 76% | 0.763 | 72% | 0.716 | S | S | * | * | | | trans | 80.5 | 144.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 77 | S | 28.2 | Very low | 30.3 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | | | cis | -155.1 | 151.5 | -12.1 | 48.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 78 | E | 27.5 | Very low | 30.2 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | | | trans | 46.4 | 121 | 144.5 | -62.6 | -166.5 | 114.9 | 0 | 0 | 122.6 | | |
| 79 | K | 30.9 | Very low | 30.1 | Very low | 191 Ų | 191 | 136.6 Ų | 136.6 | 83% | 0.83 | 72% | 0.721 | S | S | * | * | | | | 80.4 | 140.2 | 104 | -70.7 | 175.8 | 175.2 | 160.3 | 0 | 114.3 | | |
| 80 | G | 29 | Very low | 30.1 | Very low | 68 Ų | 68 | 134.4 Ų | 134.4 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | | | cis | -150.4 | 165.8 | -11.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 81 | R | 29.8 | Very low | 30.3 | Very low | 228 Ų | 228 | 132.4 Ų | 132.4 | 86% | 0.86 | 71% | 0.714 | S | S | * | * | | | cis | 56.7 | 123.1 | 43.9 | -68.4 | -154.4 | -170.6 | -164.6 | 7.4 | 113.5 | | |
| 82 | A | 29.3 | Very low | 30.1 | Very low | 47 Ų | 47 | 135.2 Ų | 135.2 | 39% | 0.388 | 72% | 0.716 | S | S | . | * | | | cis | -159.9 | 156.3 | -3.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G424 | A82-G424 WeakPolarHBondContact CB-O 3.4Š|
| 83 | D | 30.2 | Very low | 29.8 | Very low | 76 Ų | 76 | 136 Ų | 136 | 41% | 0.406 | 71% | 0.714 | S | S | . | * | | | trans | 31.2 | 168 | 131.6 | -58.6 | -126.9 | 0 | 0 | 0 | 120.7 | K423 G424 S425 R426 | D83-K423 WeakPolarHBondContact OD1-CA 3.49Å; D83-K423 PolarHBondContact OD1-N 3.01Å; D83-G424 VanDerWaalsContact CB-C 3.41Å; D83-G424 PolarHBondContact OD1-N 2.96Å; D83-S425 VanDerWaalsContact C-CA 3.49Å; D83-S425 WeakPolarHBondContact O-CA 3.19Å; D83-R426 PolarHBondContact O-N 3.34Å |
| 84 | G | 28 | Very low | 29.8 | Very low | 52 Ų | 52 | 134 Ų | 134 | 54% | 0.536 | 70% | 0.702 | S | S | . | * | | | cis | 147.2 | -152.2 | 7.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | S425 | G84-S425 VanDerWaalsContact C-CB 3.4Å; G84-S425 PolarHBondContact N-OG 3.43Å; G84-S425 WeakPolarHBondContact O-CB 3.41Å; G84-S425 PolarHBondContact O-OG 2.73Å |
| 85 | D | 35.9 | Very low | 29.9 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 67% | 0.668 | 71% | 0.705 | S | S | * | * | | | trans | 41.8 | 161.9 | 154.7 | -137.8 | -0.4 | 0 | 0 | 0 | 123.4 | | |
| 86 | W | 29.6 | Very low | 30.2 | Very low | 207 Ų | 207 | 131.2 Ų | 131.2 | 78% | 0.784 | 70% | 0.701 | S | S | * | * | | | trans | 74.1 | 148.8 | -170.4 | -48 | 109.3 | 0 | 0 | 0 | 115 | | |
| 87 | D | 29.7 | Very low | 30.5 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 60% | 0.604 | 69% | 0.689 | S | S | * | * | | | cis | 174.8 | 152.5 | -31.7 | -143.1 | -43.6 | 0 | 0 | 0 | 102.6 | | |
| 88 | D | 28.4 | Very low | 31.1 | Very low | 167 Ų | 167 | 134.9 Ų | 134.9 | 89% | 0.893 | 69% | 0.687 | S | S | * | * | | | trans | -177.2 | 124.6 | 144 | -106.9 | -21.5 | 0 | 0 | 0 | 110.4 | | |
| 89 | Q | 27.1 | Very low | 31.3 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 69% | 0.692 | 69% | 0.69 | S | S | * | * | | | trans | -102.3 | 130.9 | -178.7 | -171.6 | 89.4 | 26.2 | 0 | 0 | 110.1 | | |
| 90 | E | 36.8 | Very low | 31.4 | Very low | 161 Ų | 161 | 131.3 Ų | 131.3 | 75% | 0.752 | 68% | 0.684 | S | S | * | * | | | trans | 39.1 | 101 | 154.8 | -66.1 | 171.7 | -143.6 | 0 | 0 | 120.9 | | |
| 91 | V | 30.6 | Very low | 31.4 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 89% | 0.891 | 68% | 0.681 | S | S | * | * | | | trans | -162.4 | 145.4 | 143.9 | 164.6 | 0 | 0 | 0 | 0 | 106.9 | | |
| 92 | L | 29.7 | Very low | 31.9 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 78% | 0.78 | 68% | 0.683 | S | S | * | * | | | cis | -172.7 | 153.7 | -28.8 | -174.7 | 76.8 | 0 | 0 | 0 | 106.3 | | |
| 93 | D | 27.8 | Very low | 32 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | | | trans | 75.5 | 127.1 | 153.4 | -117.2 | -2.7 | 0 | 0 | 0 | 123.5 | | |
| 94 | Y | 30.6 | Very low | 32.2 | Very low | 143 Ų | 143 | 143.1 Ų | 143.1 | 56% | 0.561 | 73% | 0.728 | S | S | * | * | | | trans | 45.8 | 131.6 | 141.6 | -121.9 | -146.3 | 0 | 0 | 0 | 121.7 | | |
| 95 | F | 31.5 | Very low | 32.1 | Very low | 169 Ų | 169 | 150.7 Ų | 150.7 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | | | cis | -139.1 | 164.1 | 32.9 | -93.7 | -98.1 | 0 | 0 | 0 | 110.8 | | |
| 96 | S | 37.7 | Very low | 32 | Very low | 100 Ų | 100 | 152.9 Ų | 152.9 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | | | cis | -140.7 | 134.3 | 11.3 | -70.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 97 | D | 32.8 | Very low | 32.2 | Very low | 96 Ų | 96 | 150.8 Ų | 150.8 | 51% | 0.513 | 76% | 0.756 | S | S | . | * | | | trans | 37.7 | 128.6 | 132.9 | -126.8 | 27.7 | 0 | 0 | 0 | 123.5 | | |
| 98 | K | 40.2 | Very low | 32.5 | Very low | 163 Ų | 163 | 151 Ų | 151 | 71% | 0.709 | 77% | 0.766 | S | S | * | * | | | trans | 72.4 | 150.9 | 154.9 | -66.2 | -174.9 | 177.7 | 87.6 | 0 | 119.7 | | |
| 99 | E | 31.4 | Very low | 32.9 | Very low | 160 Ų | 160 | 152 Ų | 152 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | | | cis | 176.9 | 140.4 | -14.4 | -177.7 | 175 | 178.9 | 0 | 0 | 106.5 | | |
| 100 | S | 32.3 | Very low | 33.1 | Very low | 100 Ų | 100 | 148.5 Ų | 148.5 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | cis | -157.7 | 167 | -12 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 101 | A | 30.7 | Very low | 32.8 | Very low | 78 Ų | 78 | 147.7 Ų | 147.7 | 65% | 0.645 | 77% | 0.77 | S | S | * | * | | | trans | 59.2 | 114.9 | 142.3 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 102 | K | 40 | Very low | 33.4 | Very low | 206 Ų | 206 | 148.5 Ų | 148.5 | 90% | 0.896 | 77% | 0.77 | S | S | * | * | | | trans | 71 | 105 | 137.8 | -59.2 | 168.9 | -176.3 | 171.5 | 0 | 119.9 | | |
| 103 | Q | 30.1 | Very low | 33.9 | Very low | 194 Ų | 194 | 146.8 Ų | 146.8 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | | | trans | -135.5 | 153 | 132.5 | -167.4 | 161.5 | -54.4 | 0 | 0 | 109.4 | | |
| 104 | K | 36.1 | Very low | 35.3 | Very low | 189 Ų | 189 | 149.1 Ų | 149.1 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 143.5 | -179.8 | -69.4 | -146 | 176.9 | -169.3 | 0 | 111.7 | | |
| 105 | F | 24.5 | Very low | 36.4 | Very low | 211 Ų | 211 | 145.3 Ų | 145.3 | 93% | 0.925 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 133.6 | 157.4 | -79.3 | -97.7 | 0 | 0 | 0 | 109.2 | | |
| 106 | H | 34.7 | Very low | 38.1 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 144.9 | 151.6 | -92 | -104.4 | 0 | 0 | 0 | 107.7 | S108 | H106-S108 PolarHBondContact O-N 2.78Š|
| 107 | D | 33.4 | Very low | 39.6 | Very low | 163 Ų | 163 | 142.3 Ų | 142.3 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | | | trans | -62.1 | 115.1 | 159.8 | -67.1 | -63.6 | 0 | 0 | 0 | 107.9 | E109 | D107-E109 PolarHBondContact O-N 2.87Š|
| 108 | S | 35.3 | Very low | 41.6 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | -85.6 | 104.6 | 173.2 | -171.6 | 0 | 0 | 0 | 0 | 107.4 | H106 G110 | H106-S108 PolarHBondContact O-N 2.78Å; S108-G110 PolarHBondContact O-N 3.1Å |
| 109 | E | 36.5 | Very low | 43.1 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 88% | 0.883 | 74% | 0.738 | S | S | * | * | | | trans | -59.1 | 135.6 | 172.5 | -63.3 | -159.7 | 141.1 | 0 | 0 | 109.7 | D107 | D107-E109 PolarHBondContact O-N 2.87Š|
| 110 | G | 33.1 | Very low | 45.5 | Very low | 75 Ų | 75 | 139.2 Ų | 139.2 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | | | trans | -91.5 | 113.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S108 | S108-G110 PolarHBondContact O-N 3.1Š|
| 111 | D | 29.4 | Very low | 47.7 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 77% | 0.765 | 72% | 0.715 | S | S | * | * | | | trans | 46.9 | 99.6 | 148.2 | -156.8 | 27.3 | 0 | 0 | 0 | 116 | T113 | D111-T113 VanDerWaalsContact C-N 3.27Å; D111-T113 PolarHBondContact O-N 3.08Å |
| 112 | D | 43 | Very low | 50.1 | Low | 165 Ų | 165 | 141.9 Ų | 141.9 | 88% | 0.882 | 71% | 0.71 | S | S | * | * | | | trans | -61.2 | 77.8 | 178.1 | -91.4 | -58.1 | 0 | 0 | 0 | 112.6 | E114 | D112-E114 PolarHBondContact O-N 3.2Š|
| 113 | T | 40.8 | Very low | 51.9 | Low | 113 Ų | 113 | 138.4 Ų | 138.4 | 69% | 0.693 | 69% | 0.691 | S | S | * | * | | | trans | -69.4 | 112.2 | 163.9 | 61.9 | 0 | 0 | 0 | 0 | 108.3 | D111 E115 | D111-T113 VanDerWaalsContact C-N 3.27Å; D111-T113 PolarHBondContact O-N 3.08Å; T113-E115 PolarHBondContact O-N 2.73Å |
| 114 | E | 57.7 | Low | 53.9 | Low | 187 Ų | 187 | 137 Ų | 137 | 87% | 0.874 | 68% | 0.682 | S | S | * | * | | | trans | -45.5 | 85.1 | -171 | -60.3 | 176.6 | 177.5 | 0 | 0 | 114.9 | D112 T116 | D112-E114 PolarHBondContact O-N 3.2Å; E114-T116 PolarHBondContact O-N 2.96Å; E114-T116 VanDerWaalsContact O-N 3.16Å |
| 115 | E | 53.5 | Low | 55.6 | Low | 62 Ų | 62 | 130.8 Ų | 130.8 | 29% | 0.29 | 66% | 0.662 | S | S | . | * | | | trans | -63.7 | 115.9 | 169.4 | -78.6 | -162.1 | 177.1 | 0 | 0 | 108.1 | T113 Y119 R120 R123 | T113-E115 PolarHBondContact O-N 2.73Å; E115-Y119 HydrophobicContact CB-CD1 4.27Å; E115-Y119 VanDerWaalsContact CD-CD1 3.46Å; E115-Y119 HydrophobicContact CG-CD1 3.83Å; E115-Y119 HydrophobicContact CG-CE1 4.25Å; E115-Y119 WeakPolarHBondContact OE1-CE1 3.41Å; E115-Y119 WeakPolarHBondContact OE2-CD1 3.46Å; E115-R120 HydrophobicContact CB-CG 3.94Å; E115-R120 PolarHBondContact O-NH1 3.18Å; E115-R123 IonicContact OE1-CZ 3.41Å; E115-R123 IonicContact OE1-NE 3.56Å; E115-R123 PolarHBondContact OE1-NE 3.44Å; E115-R123 IonicContact OE1-NH2 2.63Å; E115-R123 PolarHBondContact OE1-NH2 2.8Å; E115-R123 IonicContact OE2-NE 3.89Å |
| 116 | T | 66.5 | Low | 58 | Low | 96 Ų | 96 | 123.4 Ų | 123.4 | 59% | 0.589 | 64% | 0.635 | S | S | * | * | | | trans | -62.9 | 152.2 | 177.9 | 51.6 | 0 | 0 | 0 | 0 | 111.7 | E114 D118 Y119 R120 | E114-T116 PolarHBondContact O-N 2.96Å; E114-T116 VanDerWaalsContact O-N 3.16Å; T116-D118 PolarHBondContact O-N 2.69Å; T116-D118 VanDerWaalsContact O-N 3.08Å; T116-Y119 WeakPolarHBondContact O-CA 3.34Å; T116-Y119 WeakPolarHBondContact O-CB 3.28Å; T116-Y119 PolarHBondContact O-N 2.77Å; T116-R120 PolarHBondContact O-N 2.94Å |
| 117 | E | 69.3 | Low | 59.8 | Low | 111 Ų | 111 | 121.3 Ų | 121.3 | 52% | 0.519 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -53 | -34.9 | -176.7 | -127.8 | 57.1 | -112.9 | 0 | 0 | 113.7 | R120 Q121 | E117-R120 VanDerWaalsContact CD-NH2 3.28Å; E117-R120 IonicContact OE1-CZ 3.97Å; E117-R120 IonicContact OE1-NE 3.7Å; E117-R120 PolarHBondContact OE1-NE 2.98Å; E117-R120 IonicContact OE1-NH2 3.85Å; E117-R120 PolarHBondContact OE1-NH2 3.16Å; E117-R120 VanDerWaalsContact OE1-NH2 3.09Å; E117-R120 IonicContact OE2-CZ 2.89Å; E117-R120 IonicContact OE2-NE 3.35Å; E117-R120 IonicContact OE2-NH2 3.35Å; E117-R120 PolarHBondContact OE2-NH2 2.81Å; E117-Q121 WeakPolarHBondContact O-CB 3.44Å; E117-Q121 VanDerWaalsContact O-CG 3.23Å; E117-Q121 WeakPolarHBondContact O-CG 3.24Å; E117-Q121 PolarHBondContact O-N 3.24Å; E117-Q121 PolarHBondContact O-NE2 2.65Å |
| 118 | D | 74.1 | Confident | 61.2 | Low | 124 Ų | 124 | 117.1 Ų | 117.1 | 66% | 0.663 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.6 | -36.1 | 176.3 | -65.2 | -20.3 | 0 | 0 | 0 | 112.3 | T116 Q121 F122 | T116-D118 PolarHBondContact O-N 2.69Å; T116-D118 VanDerWaalsContact O-N 3.08Å; D118-Q121 PolarHBondContact O-N 3.17Å; D118-F122 VanDerWaalsContact O-CB 3.32Å; D118-F122 WeakPolarHBondContact O-CB 3.39Å; D118-F122 PolarHBondContact O-N 3.34Å |
| 119 | Y | 72.9 | Confident | 62.2 | Low | 116 Ų | 116 | 118.7 Ų | 118.7 | 46% | 0.455 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -72.4 | -41 | 176.3 | -166.1 | -97.3 | 0 | 0 | 0 | 111 | E115 T116 Q121 F122 R123 | E115-Y119 HydrophobicContact CB-CD1 4.27Å; E115-Y119 VanDerWaalsContact CD-CD1 3.46Å; E115-Y119 HydrophobicContact CG-CD1 3.83Å; E115-Y119 HydrophobicContact CG-CE1 4.25Å; E115-Y119 WeakPolarHBondContact OE1-CE1 3.41Å; E115-Y119 WeakPolarHBondContact OE2-CD1 3.46Å; T116-Y119 WeakPolarHBondContact O-CA 3.34Å; T116-Y119 WeakPolarHBondContact O-CB 3.28Å; T116-Y119 PolarHBondContact O-N 2.77Å; Y119-Q121 VanDerWaalsContact C-N 3.32Å; Y119-Q121 PolarHBondContact O-N 3.03Å; Y119-F122 PolarHBondContact O-N 3.49Å; Y119-R123 HydrophobicContact CD1-CG 4Å; Y119-R123 HydrophobicContact CE1-CG 3.81Å; Y119-R123 WeakPolarHBondContact O-CB 3.44Å; Y119-R123 WeakPolarHBondContact O-CG 3.29Å; Y119-R123 PolarHBondContact O-N 3.01Å |
| 120 | R | 82.4 | Confident | 62.8 | Low | 113 Ų | 113 | 115.6 Ų | 115.6 | 43% | 0.426 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -57.4 | -44.3 | 169.9 | -70.3 | -161.9 | -88.2 | -106.7 | 2.6 | 111.7 | E115 T116 E117 R123 K124 | E115-R120 HydrophobicContact CB-CG 3.94Å; E115-R120 PolarHBondContact O-NH1 3.18Å; T116-R120 PolarHBondContact O-N 2.94Å; E117-R120 VanDerWaalsContact CD-NH2 3.28Å; E117-R120 IonicContact OE1-CZ 3.97Å; E117-R120 IonicContact OE1-NE 3.7Å; E117-R120 PolarHBondContact OE1-NE 2.98Å; E117-R120 IonicContact OE1-NH2 3.85Å; E117-R120 PolarHBondContact OE1-NH2 3.16Å; E117-R120 VanDerWaalsContact OE1-NH2 3.09Å; E117-R120 IonicContact OE2-CZ 2.89Å; E117-R120 IonicContact OE2-NE 3.35Å; E117-R120 IonicContact OE2-NH2 3.35Å; E117-R120 PolarHBondContact OE2-NH2 2.81Å; R120-R123 PolarHBondContact O-N 3.18Å; R120-K124 PolarHBondContact O-N 3.06Å |
| 121 | Q | 76.8 | Confident | 63.6 | Low | 115 Ų | 115 | 115.4 Ų | 115.4 | 54% | 0.537 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.1 | -42.2 | 176 | -77.2 | 172.3 | 78.9 | 0 | 0 | 112.8 | E117 D118 Y119 K124 S125 | E117-Q121 WeakPolarHBondContact O-CB 3.44Å; E117-Q121 VanDerWaalsContact O-CG 3.23Å; E117-Q121 WeakPolarHBondContact O-CG 3.24Å; E117-Q121 PolarHBondContact O-N 3.24Å; E117-Q121 PolarHBondContact O-NE2 2.65Å; D118-Q121 PolarHBondContact O-N 3.17Å; Y119-Q121 VanDerWaalsContact C-N 3.32Å; Y119-Q121 PolarHBondContact O-N 3.03Å; Q121-K124 WeakPolarHBondContact O-CB 3.39Å; Q121-K124 PolarHBondContact O-N 3.32Å; Q121-S125 PolarHBondContact O-N 3.42Å; Q121-S125 PolarHBondContact O-OG 3.03Å |
| 122 | F | 81.2 | Confident | 64.6 | Low | 120 Ų | 120 | 117 Ų | 117 | 53% | 0.526 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.4 | -41.6 | 175.4 | 177.8 | -103.7 | 0 | 0 | 0 | 112.1 | D118 Y119 K124 S125 V126 | D118-F122 VanDerWaalsContact O-CB 3.32Å; D118-F122 WeakPolarHBondContact O-CB 3.39Å; D118-F122 PolarHBondContact O-N 3.34Å; Y119-F122 PolarHBondContact O-N 3.49Å; F122-K124 VanDerWaalsContact C-N 3.32Å; F122-K124 PolarHBondContact O-N 3.25Å; F122-S125 PolarHBondContact O-N 2.87Å; F122-S125 PolarHBondContact O-OG 3.49Å; F122-S125 VanDerWaalsContact O-OG 3.07Å; F122-V126 HydrophobicContact CD1-CG2 4.34Å; F122-V126 HydrophobicContact CD2-CG2 4.24Å; F122-V126 HydrophobicContact CE1-CG2 3.95Å; F122-V126 HydrophobicContact CE2-CG2 3.84Å; F122-V126 HydrophobicContact CG-CG2 4.47Å; F122-V126 HydrophobicContact CZ-CG2 3.68Å; F122-V126 WeakPolarHBondContact O-CB 3.42Å; F122-V126 VanDerWaalsContact O-CG2 3.27Å; F122-V126 WeakPolarHBondContact O-CG2 3.27Å; F122-V126 PolarHBondContact O-N 3.16Å |
| 123 | R | 78.6 | Confident | 64.4 | Low | 132 Ų | 132 | 114.9 Ų | 114.9 | 50% | 0.498 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.4 | -40.5 | 173.7 | -67.2 | -105.4 | -94.3 | 162.7 | -9 | 111 | E115 Y119 R120 L127 | E115-R123 IonicContact OE1-CZ 3.41Å; E115-R123 IonicContact OE1-NE 3.56Å; E115-R123 PolarHBondContact OE1-NE 3.44Å; E115-R123 IonicContact OE1-NH2 2.63Å; E115-R123 PolarHBondContact OE1-NH2 2.8Å; E115-R123 IonicContact OE2-NE 3.89Å; Y119-R123 HydrophobicContact CD1-CG 4Å; Y119-R123 HydrophobicContact CE1-CG 3.81Å; Y119-R123 WeakPolarHBondContact O-CB 3.44Å; Y119-R123 WeakPolarHBondContact O-CG 3.29Å; Y119-R123 PolarHBondContact O-N 3.01Å; R120-R123 PolarHBondContact O-N 3.18Å; R123-L127 WeakPolarHBondContact O-CB 3.16Å; R123-L127 VanDerWaalsContact O-CG 3.3Å; R123-L127 WeakPolarHBondContact O-CG 3.13Å; R123-L127 PolarHBondContact O-N 3.2Å; R123-L127 VanDerWaalsContact O-N 3.11Å |
| 124 | K | 72.8 | Confident | 64.1 | Low | 164 Ų | 164 | 118.6 Ų | 118.6 | 71% | 0.713 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.8 | -43.8 | 173.8 | -111 | 176 | 177.6 | 172.7 | 0 | 113.4 | R120 Q121 F122 L127 A128 | R120-K124 PolarHBondContact O-N 3.06Å; Q121-K124 WeakPolarHBondContact O-CB 3.39Å; Q121-K124 PolarHBondContact O-N 3.32Å; F122-K124 VanDerWaalsContact C-N 3.32Å; F122-K124 PolarHBondContact O-N 3.25Å; K124-L127 PolarHBondContact O-N 2.98Å; K124-A128 PolarHBondContact O-N 2.93Å |
| 125 | S | 70 | Confident | 63 | Low | 59 Ų | 59 | 114.3 Ų | 114.3 | 41% | 0.413 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71.7 | -38.9 | 179.3 | 60.7 | 0 | 0 | 0 | 0 | 112.5 | Q121 F122 L127 A128 D129 | Q121-S125 PolarHBondContact O-N 3.42Å; Q121-S125 PolarHBondContact O-OG 3.03Å; F122-S125 PolarHBondContact O-N 2.87Å; F122-S125 PolarHBondContact O-OG 3.49Å; F122-S125 VanDerWaalsContact O-OG 3.07Å; S125-L127 PolarHBondContact O-N 3.29Å; S125-A128 PolarHBondContact O-N 3.08Å; S125-D129 PolarHBondContact O-N 3.25Å |
| 126 | V | 75.4 | Confident | 62 | Low | 57 Ų | 57 | 118 Ų | 118 | 35% | 0.345 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -63.7 | -27.4 | 173.7 | 169.4 | 0 | 0 | 0 | 0 | 112.7 | F122 Q130 | F122-V126 HydrophobicContact CD1-CG2 4.34Å; F122-V126 HydrophobicContact CD2-CG2 4.24Å; F122-V126 HydrophobicContact CE1-CG2 3.95Å; F122-V126 HydrophobicContact CE2-CG2 3.84Å; F122-V126 HydrophobicContact CG-CG2 4.47Å; F122-V126 HydrophobicContact CZ-CG2 3.68Å; F122-V126 WeakPolarHBondContact O-CB 3.42Å; F122-V126 VanDerWaalsContact O-CG2 3.27Å; F122-V126 WeakPolarHBondContact O-CG2 3.27Å; F122-V126 PolarHBondContact O-N 3.16Å; V126-Q130 WeakPolarHBondContact O-CG 3.4Å; V126-Q130 PolarHBondContact O-N 3.06Å; V126-Q130 PolarHBondContact O-NE2 2.94Å |
| 127 | L | 73.4 | Confident | 60.3 | Low | 127 Ų | 127 | 118.5 Ų | 118.5 | 67% | 0.665 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -80.7 | -28.8 | 170.8 | -73.4 | 169 | 0 | 0 | 0 | 113.1 | R123 K124 S125 | R123-L127 WeakPolarHBondContact O-CB 3.16Å; R123-L127 VanDerWaalsContact O-CG 3.3Å; R123-L127 WeakPolarHBondContact O-CG 3.13Å; R123-L127 PolarHBondContact O-N 3.2Å; R123-L127 VanDerWaalsContact O-N 3.11Å; K124-L127 PolarHBondContact O-N 2.98Å; S125-L127 PolarHBondContact O-N 3.29Å |
| 128 | A | 62.8 | Low | 58.6 | Low | 75 Ų | 75 | 118.9 Ų | 118.9 | 62% | 0.62 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.7 | -42 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K124 S125 Q130 | K124-A128 PolarHBondContact O-N 2.93Å; S125-A128 PolarHBondContact O-N 3.08Å; A128-Q130 VanDerWaalsContact C-N 3.3Å; A128-Q130 PolarHBondContact O-N 2.9Å |
| 129 | D | 55.1 | Low | 56.5 | Low | 150 Ų | 150 | 119.9 Ų | 119.9 | 80% | 0.802 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.1 | -31.2 | 176.2 | -83.9 | -1.3 | 0 | 0 | 0 | 112.1 | S125 G131 | S125-D129 PolarHBondContact O-N 3.25Å; D129-G131 VanDerWaalsContact C-N 3.26Å; D129-G131 PolarHBondContact O-N 3.47Å |
| 130 | Q | 50 | Low | 54.6 | Low | 124 Ų | 124 | 123.8 Ų | 123.8 | 58% | 0.579 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -80.2 | 74 | 169.2 | -73.9 | -178.4 | 92.2 | 0 | 0 | 110.5 | V126 A128 K132 | V126-Q130 WeakPolarHBondContact O-CG 3.4Å; V126-Q130 PolarHBondContact O-N 3.06Å; V126-Q130 PolarHBondContact O-NE2 2.94Å; A128-Q130 VanDerWaalsContact C-N 3.3Å; A128-Q130 PolarHBondContact O-N 2.9Å; Q130-K132 VanDerWaalsContact C-N 3.31Å; Q130-K132 WeakPolarHBondContact O-CB 3.43Å; Q130-K132 PolarHBondContact O-N 3.2Å |
| 131 | G | 49.9 | Very low | 52.3 | Low | 71 Ų | 71 | 124.5 Ų | 124.5 | 73% | 0.732 | 68% | 0.677 | S | S | * | * | | | trans | -50.8 | 82 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | D129 | D129-G131 VanDerWaalsContact C-N 3.26Å; D129-G131 PolarHBondContact O-N 3.47Å |
| 132 | K | 50.4 | Low | 50.3 | Low | 176 Ų | 176 | 125.3 Ų | 125.3 | 77% | 0.765 | 69% | 0.69 | S | S | * | * | | | trans | -141.4 | 60.7 | -177.3 | -131.2 | 78.2 | 172.8 | -170.9 | 0 | 108.9 | Q130 F134 | Q130-K132 VanDerWaalsContact C-N 3.31Å; Q130-K132 WeakPolarHBondContact O-CB 3.43Å; Q130-K132 PolarHBondContact O-N 3.2Å; K132-F134 PolarHBondContact O-N 2.86Å |
| 133 | S | 38.7 | Very low | 48.1 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 84% | 0.839 | 71% | 0.708 | S | S | * | * | | | trans | -66.2 | 94.6 | -179.1 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | A135 | S133-A135 PolarHBondContact O-N 3.34Š|
| 134 | F | 34.5 | Very low | 46.2 | Very low | 192 Ų | 192 | 131.1 Ų | 131.1 | 84% | 0.842 | 72% | 0.724 | S | S | * | * | | | trans | -68.7 | 110.1 | 159.5 | -82 | -78.9 | 0 | 0 | 0 | 108.4 | K132 T136 | K132-F134 PolarHBondContact O-N 2.86Å; F134-T136 PolarHBondContact O-N 2.89Å; F134-T136 VanDerWaalsContact O-N 3.09Å |
| 135 | A | 34.4 | Very low | 44.5 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 79% | 0.793 | 73% | 0.733 | S | S | * | * | | | trans | -78.9 | 92.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S133 S137 | S133-A135 PolarHBondContact O-N 3.34Å; A135-S137 PolarHBondContact O-N 2.83Å |
| 136 | T | 32.2 | Very low | 42.5 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | | | trans | -74.5 | 81.3 | 165 | 44.6 | 0 | 0 | 0 | 0 | 110.3 | F134 S138 | F134-T136 PolarHBondContact O-N 2.89Å; F134-T136 VanDerWaalsContact O-N 3.09Å; T136-S138 PolarHBondContact O-N 3.13Å |
| 137 | S | 31.4 | Very low | 41.2 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | -15.1 | 105.1 | 167.2 | 173.6 | 0 | 0 | 0 | 0 | 116 | A135 | A135-S137 PolarHBondContact O-N 2.83Š|
| 138 | S | 34.4 | Very low | 39.5 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | | | trans | -84.7 | 123.5 | 162.7 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | T136 | T136-S138 PolarHBondContact O-N 3.13Š|
| 139 | H | 29.5 | Very low | 38.1 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | | | trans | -155.5 | 85.5 | 170.7 | -168.9 | -86 | 0 | 0 | 0 | 115 | | |
| 140 | R | 33.4 | Very low | 37.1 | Very low | 197 Ų | 197 | 145.3 Ų | 145.3 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | trans | 67.9 | 154.2 | 143.9 | -65.6 | -166.7 | 161.8 | -178.2 | -6 | 118.2 | | |
| 141 | N | 33.2 | Very low | 36.4 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 68% | 0.684 | 79% | 0.789 | S | S | * | * | | | cis | -160.9 | 149 | 0.3 | -117.6 | 9.6 | 0 | 0 | 0 | 109.8 | | |
| 142 | T | 34 | Very low | 35.7 | Very low | 132 Ų | 132 | 151 Ų | 151 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | | | trans | -157.8 | 114.4 | 152.3 | 39.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 143 | E | 36.4 | Very low | 35 | Very low | 196 Ų | 196 | 149.5 Ų | 149.5 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | | | trans | -175 | 173.3 | 151 | -106.8 | 159.1 | -143.6 | 0 | 0 | 110.7 | | |
| 144 | E | 38.7 | Very low | 34.8 | Very low | 179 Ų | 179 | 148 Ų | 148 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | | | trans | -66.5 | 168.6 | -143.7 | -59.1 | -175.3 | 118.2 | 0 | 0 | 122.7 | | |
| 145 | E | 35.5 | Very low | 34.8 | Very low | 192 Ų | 192 | 146.3 Ų | 146.3 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | | | trans | 44.7 | 139.8 | 152.4 | -64.8 | -142.3 | 126.3 | 0 | 0 | 124.2 | | |
| 146 | G | 29.8 | Very low | 34.7 | Very low | 66 Ų | 66 | 150.9 Ų | 150.9 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | | | trans | 142.4 | 75.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | K148 | G146-K148 PolarHBondContact O-N 3.21Š|
| 147 | P | 46.4 | Very low | 34.7 | Very low | 131 Ų | 131 | 147.5 Ų | 147.5 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | | | trans | -83.9 | 94 | -170.6 | 32.6 | -35.6 | 0 | 0 | 0 | 114.4 | | |
| 148 | K | 39.7 | Very low | 34.6 | Very low | 190 Ų | 190 | 148.7 Ų | 148.7 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | | | trans | -138.1 | 117.8 | 174.2 | -68.6 | -177.7 | -177.6 | 168 | 0 | 115.3 | G146 | G146-K148 PolarHBondContact O-N 3.21Š|
| 149 | Y | 33.5 | Very low | 34.8 | Very low | 186 Ų | 186 | 152.7 Ų | 152.7 | 73% | 0.729 | 78% | 0.779 | S | S | * | * | | | trans | 88.4 | 95.6 | 149.3 | -82.6 | -131.7 | 0 | 0 | 0 | 122.3 | | |
| 150 | K | 33.4 | Very low | 34.8 | Very low | 164 Ų | 164 | 153.2 Ų | 153.2 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | | | | 57.6 | 98.3 | 122.4 | -58.8 | 170.7 | -168.9 | 175.2 | 0 | 121 | | |
| 151 | S | 35.3 | Very low | 34.6 | Very low | 115 Ų | 115 | 149.4 Ų | 149.4 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | | 175.2 | 119.6 | 123.9 | -169.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 152 | K | 35.8 | Very low | 34.3 | Very low | 201 Ų | 201 | 151 Ų | 151 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | | 75.8 | 65.6 | 56.5 | -89.5 | -154.8 | 174 | -170.4 | 0 | 117.4 | | |
| 153 | V | 35.8 | Very low | 34.2 | Very low | 144 Ų | 144 | 147.7 Ų | 147.7 | 87% | 0.873 | 79% | 0.786 | S | S | * | * | | | trans | -146 | 143.9 | 137.7 | -173 | 0 | 0 | 0 | 0 | 107 | | |
| 154 | S | 33.3 | Very low | 33.8 | Very low | 89 Ų | 89 | 146.5 Ų | 146.5 | 62% | 0.622 | 78% | 0.778 | S | S | * | * | | | cis | 167.1 | 98.5 | -38.8 | 169.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 155 | L | 34.3 | Very low | 33.6 | Very low | 155 Ų | 155 | 149.1 Ų | 149.1 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | trans | 61.9 | 162.8 | 162.3 | -75.4 | 89.1 | 0 | 0 | 0 | 118.7 | | |
| 156 | K | 33.7 | Very low | 33.5 | Very low | 192 Ų | 192 | 145.7 Ų | 145.7 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | | | cis | -174.2 | 151.2 | -31.3 | -177.4 | 171.6 | -178.4 | -177.6 | 0 | 108.1 | | |
| 157 | G | 31.4 | Very low | 33.7 | Very low | 69 Ų | 69 | 149.2 Ų | 149.2 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | trans | 118.3 | 107 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 158 | N | 28.7 | Very low | 33.2 | Very low | 131 Ų | 131 | 151.4 Ų | 151.4 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | | | cis | 80.5 | 99.5 | 16.8 | -160.5 | 48.9 | 0 | 0 | 0 | 116.4 | | |
| 159 | R | 38.9 | Very low | 32.7 | Very low | 204 Ų | 204 | 149.7 Ų | 149.7 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | trans | 71.9 | 153.1 | 154.4 | -86.3 | -172.2 | 171.8 | 157.9 | -0.5 | 122.2 | | |
| 160 | E | 29.6 | Very low | 32.4 | Very low | 157 Ų | 157 | 151 Ų | 151 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | | | trans | 73.9 | 164.9 | 141.7 | 71.3 | -138.1 | 127.7 | 0 | 0 | 122.8 | | |
| 161 | S | 29.7 | Very low | 32.4 | Very low | 116 Ų | 116 | 152 Ų | 152 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | | | trans | 65.7 | 132.3 | -162.8 | 61 | 0 | 0 | 0 | 0 | 116.7 | | |
| 162 | D | 26 | Very low | 32 | Very low | 162 Ų | 162 | 153.3 Ų | 153.3 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | | | cis | 96.5 | 153.6 | 17.8 | -163.4 | 29.9 | 0 | 0 | 0 | 115.4 | | |
| 163 | G | 32.3 | Very low | 32 | Very low | 63 Ų | 63 | 153 Ų | 153 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | | | trans | 86.8 | 95.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 164 | F | 27.5 | Very low | 31.6 | Very low | 170 Ų | 170 | 153.8 Ų | 153.8 | 75% | 0.746 | 76% | 0.759 | S | S | * | * | | | cis | 62.9 | 104.6 | 39.8 | -152.3 | -98.2 | 0 | 0 | 0 | 113.3 | E166 | F164-E166 HydrophobicContact CD1-CG 4.13Å; F164-E166 HydrophobicContact CE1-CG 3.6Å; F164-E166 HydrophobicContact CZ-CG 4.37Å |
| 165 | R | 35.7 | Very low | 31.5 | Very low | 234 Ų | 234 | 156.1 Ų | 156.1 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | | | trans | -155 | 86.6 | 166.8 | -147.2 | -179.2 | -168.2 | -80.4 | 2.6 | 112.6 | | |
| 166 | E | 33.3 | Very low | 31.2 | Very low | 121 Ų | 121 | 153 Ų | 153 | 57% | 0.565 | 77% | 0.766 | S | S | * | * | | | | 10.8 | 139.7 | 120.2 | -62.1 | -176 | 161.7 | 0 | 0 | 117.1 | F164 | F164-E166 HydrophobicContact CD1-CG 4.13Å; F164-E166 HydrophobicContact CE1-CG 3.6Å; F164-E166 HydrophobicContact CZ-CG 4.37Å |
| 167 | E | 34.1 | Very low | 31.1 | Very low | 139 Ų | 139 | 154 Ų | 154 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | | | cis | -177.4 | -174.5 | 8.6 | -127.7 | -163.4 | 172.7 | 0 | 0 | 111.3 | | |
| 168 | K | 35.8 | Very low | 31.1 | Very low | 177 Ų | 177 | 157 Ų | 157 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | | | trans | 114 | 99.1 | 146.1 | -52 | -153.8 | 176.4 | -172.5 | 0 | 118.6 | | |
| 169 | N | 29.2 | Very low | 31.2 | Very low | 154 Ų | 154 | 156.9 Ų | 156.9 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | | | trans | -74.8 | 154.2 | 179 | -55.2 | -82.2 | 0 | 0 | 0 | 115.4 | | |
| 170 | Y | 26.8 | Very low | 31 | Very low | 213 Ų | 213 | 155.9 Ų | 155.9 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | | | trans | -171.7 | 145.4 | 144.8 | 65.3 | -99 | 0 | 0 | 0 | 109.7 | | |
| 171 | K | 32.8 | Very low | 31.1 | Very low | 187 Ų | 187 | 159.8 Ų | 159.8 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | | | cis | -135.2 | 128 | -17.7 | -57.8 | -173.8 | -178.6 | 176.9 | 0 | 106.7 | | |
| 172 | L | 27.9 | Very low | 31.6 | Very low | 142 Ų | 142 | 160.1 Ų | 160.1 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | | 46.2 | 105.2 | 96.5 | -174.6 | 65 | 0 | 0 | 0 | 116.9 | E174 | L172-E174 HydrophobicContact CD1-CB 4.45Š|
| 173 | K | 35 | Very low | 31.6 | Very low | 194 Ų | 194 | 157.4 Ų | 157.4 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | | | trans | -179.9 | 106.5 | 131.2 | -96.1 | 175.7 | -176.6 | -171.9 | 0 | 105.7 | | |
| 174 | E | 27.2 | Very low | 31.5 | Very low | 161 Ų | 161 | 160.8 Ų | 160.8 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | | 57.7 | 115.3 | 64.9 | -160.4 | 168.7 | -134.9 | 0 | 0 | 110.3 | L172 | L172-E174 HydrophobicContact CD1-CB 4.45Š|
| 175 | T | 31.7 | Very low | 31.6 | Very low | 137 Ų | 137 | 156.9 Ų | 156.9 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | | | | -127.5 | 154.8 | 52.8 | 52.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 176 | A | 29 | Very low | 31.5 | Very low | 90 Ų | 90 | 155.5 Ų | 155.5 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | | | trans | -106.5 | 168.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 177 | Y | 29.8 | Very low | 31.4 | Very low | 214 Ų | 214 | 156.6 Ų | 156.6 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | | | trans | -166.1 | 121.9 | 143.1 | -127.3 | -126.7 | 0 | 0 | 0 | 113.1 | | |
| 178 | I | 32 | Very low | 31.4 | Very low | 130 Ų | 130 | 158.3 Ų | 158.3 | 67% | 0.667 | 80% | 0.796 | S | S | * | * | | | trans | 53.3 | 139.2 | 136.8 | -62.2 | -165.5 | 0 | 0 | 0 | 120.6 | | |
| 179 | V | 31.3 | Very low | 31.1 | Very low | 129 Ų | 129 | 157.6 Ų | 157.6 | 78% | 0.782 | 80% | 0.795 | S | S | * | * | | | cis | -162.8 | 155.8 | -16.8 | 137.8 | 0 | 0 | 0 | 0 | 106.2 | | |
| 180 | E | 33.7 | Very low | 31.3 | Very low | 183 Ų | 183 | 156.3 Ų | 156.3 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | | | trans | -88.5 | 158.8 | 175.5 | -67.9 | -166.2 | 124.4 | 0 | 0 | 116 | | |
| 181 | R | 31.6 | Very low | 31.5 | Very low | 239 Ų | 239 | 153.5 Ų | 153.5 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | | | trans | 94 | 133.9 | 149.7 | -152.7 | 171.3 | -171.3 | 162 | 4.2 | 118.9 | | |
| 182 | P | 40.1 | Very low | 31.5 | Very low | 124 Ų | 124 | 152.6 Ų | 152.6 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | | | trans | -100.5 | 164.7 | -174.9 | 39.1 | -37.1 | 0 | 0 | 0 | 115.3 | | |
| 183 | S | 26 | Very low | 31.8 | Very low | 105 Ų | 105 | 151.3 Ų | 151.3 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | | | trans | -148.9 | 121.7 | 178 | 61.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 184 | T | 31.2 | Very low | 32 | Very low | 133 Ų | 133 | 151.1 Ų | 151.1 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | | | trans | 54.6 | 117.1 | 134.8 | 61 | 0 | 0 | 0 | 0 | 124 | | |
| 185 | A | 29 | Very low | 32.1 | Very low | 89 Ų | 89 | 147 Ų | 147 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | | | | 87.6 | 114.6 | 117.1 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 186 | K | 34.5 | Very low | 32.5 | Very low | 205 Ų | 205 | 146.3 Ų | 146.3 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | | | trans | 63.7 | 118.9 | 133 | -64.2 | -172.7 | 178.2 | -174.3 | 0 | 121.5 | | |
| 187 | D | 30.4 | Very low | 32.5 | Very low | 144 Ų | 144 | 148.7 Ų | 148.7 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | trans | -147.7 | -172.7 | 134.8 | -148.6 | 36.4 | 0 | 0 | 0 | 111.6 | | |
| 188 | K | 34.3 | Very low | 33 | Very low | 175 Ų | 175 | 148.3 Ų | 148.3 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | | | | -133.9 | 147.4 | -121.5 | -88.2 | 175.2 | -168.9 | 157 | 0 | 116.1 | | |
| 189 | H | 30.5 | Very low | 33.5 | Very low | 162 Ų | 162 | 148.4 Ų | 148.4 | 75% | 0.75 | 77% | 0.768 | S | S | * | * | | | | 77.7 | 138.1 | 128 | -161.9 | -109.9 | 0 | 0 | 0 | 122.9 | | |
| 190 | K | 32.9 | Very low | 33.6 | Very low | 127 Ų | 127 | 146.8 Ų | 146.8 | 55% | 0.552 | 76% | 0.759 | S | S | * | * | | | trans | 59 | 126.3 | 170.5 | -82 | -175.4 | 158.4 | -78.8 | 0 | 117.9 | | |
| 191 | E | 30.7 | Very low | 33.9 | Very low | 153 Ų | 153 | 144.4 Ų | 144.4 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | | | | 68.3 | 119.9 | 66.3 | -68.9 | -168.3 | 126.6 | 0 | 0 | 114.7 | | |
| 192 | E | 33.4 | Very low | 34.2 | Very low | 168 Ų | 168 | 141 Ų | 141 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | | | | -168 | 161.9 | 107.4 | -105.1 | 167.2 | -160.1 | 0 | 0 | 113.2 | | |
| 193 | D | 34.4 | Very low | 34.3 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 62% | 0.62 | 74% | 0.743 | S | S | * | * | | | trans | 35.4 | 128.1 | 168 | -76.8 | 2.4 | 0 | 0 | 0 | 122.7 | | |
| 194 | K | 38.2 | Very low | 34.4 | Very low | 189 Ų | 189 | 144 Ų | 144 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | | | | 61.8 | 134.5 | 57.1 | -55.7 | -172.7 | -143.5 | 92.5 | 0 | 112.8 | | |
| 195 | G | 30.3 | Very low | 34.6 | Very low | 75 Ų | 75 | 143.3 Ų | 143.3 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | | | cis | 151.5 | 121.3 | -7.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 196 | S | 39.3 | Very low | 34.6 | Very low | 123 Ų | 123 | 147.9 Ų | 147.9 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | | | trans | -175.6 | 158.2 | 171.9 | 47.3 | 0 | 0 | 0 | 0 | 112 | | |
| 197 | D | 29.4 | Very low | 34.2 | Very low | 140 Ų | 140 | 143.3 Ų | 143.3 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | | | cis | -165.6 | 162.1 | -36.3 | -162.4 | 0.6 | 0 | 0 | 0 | 108.9 | | |
| 198 | R | 39.8 | Very low | 35 | Very low | 206 Ų | 206 | 141.5 Ų | 141.5 | 78% | 0.777 | 73% | 0.729 | S | S | * | * | | | trans | 70.1 | 147.2 | 164.1 | -55.5 | 165.8 | 83 | -179.5 | 5 | 116.9 | | |
| 199 | I | 42.7 | Very low | 34.7 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 68% | 0.677 | 73% | 0.731 | S | S | * | * | | | cis | -151.9 | 162.6 | -10.8 | -117.7 | 166.3 | 0 | 0 | 0 | 111.2 | | |
| 200 | T | 33.9 | Very low | 34.9 | Very low | 95 Ų | 95 | 141.7 Ų | 141.7 | 58% | 0.583 | 73% | 0.732 | S | S | * | * | | | trans | -44.3 | 155.2 | 178.5 | 62 | 0 | 0 | 0 | 0 | 116.5 | | |
| 201 | V | 38.7 | Very low | 34.7 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | | | | -141.6 | 117 | 72.5 | -163.7 | 0 | 0 | 0 | 0 | 110 | | |
| 202 | K | 39.1 | Very low | 35 | Very low | 169 Ų | 169 | 141.9 Ų | 141.9 | 74% | 0.735 | 74% | 0.739 | S | S | * | * | | | | 43.4 | 138.6 | 95.6 | -60 | 178.9 | 179.5 | 176.9 | 0 | 114 | | |
| 203 | K | 41.4 | Very low | 35.2 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | | | cis | -155.9 | 168.2 | 7.4 | -131.4 | 163.4 | 151.2 | -114.9 | 0 | 105.2 | | |
| 204 | E | 29 | Very low | 35.1 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 61% | 0.612 | 74% | 0.738 | S | S | * | * | | | cis | -157.5 | 130.8 | 21.5 | -150.3 | 125.7 | 172.8 | 0 | 0 | 106.6 | | |
| 205 | V | 35.1 | Very low | 35.1 | Very low | 119 Ų | 119 | 138 Ų | 138 | 72% | 0.721 | 73% | 0.729 | S | S | * | * | | | | 54 | 121.8 | 104.7 | -178.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 206 | Q | 29.5 | Very low | 35.3 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | | | cis | -154.1 | 171.5 | 6.9 | -140.8 | 163 | -24 | 0 | 0 | 113.7 | | |
| 207 | S | 25.7 | Very low | 35.1 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | | | trans | -76.1 | -178.5 | 171.1 | -119.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 208 | P | 47.3 | Very low | 35.5 | Very low | 106 Ų | 106 | 143.6 Ų | 143.6 | 69% | 0.688 | 72% | 0.718 | S | S | * | * | | | cis | -121.6 | -159 | 3.1 | 34.3 | -11.1 | 0 | 0 | 0 | 111.9 | | |
| 209 | E | 26.6 | Very low | 35.4 | Very low | 173 Ų | 173 | 141.7 Ų | 141.7 | 81% | 0.808 | 72% | 0.722 | S | S | * | * | | | cis | -156.9 | -178.7 | 21.6 | -159 | 162.3 | 159.6 | 0 | 0 | 114.2 | | |
| 210 | Q | 35 | Very low | 35.2 | Very low | 168 Ų | 168 | 144.5 Ų | 144.5 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | | | trans | -78.7 | 179 | -170.7 | -37.5 | -174 | 21.1 | 0 | 0 | 113.7 | | |
| 211 | V | 29.7 | Very low | 35.2 | Very low | 105 Ų | 105 | 146.7 Ų | 146.7 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | | | cis | -155 | 178.9 | 1.9 | 91.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 212 | K | 36.4 | Very low | 34.9 | Very low | 179 Ų | 179 | 151.7 Ų | 151.7 | 78% | 0.778 | 74% | 0.744 | S | S | * | * | | | trans | -47.3 | 175.1 | 168.9 | -47.2 | 151.3 | -170.9 | 171.8 | 0 | 113.9 | | |
| 213 | S | 36.8 | Very low | 34.7 | Very low | 94 Ų | 94 | 148.5 Ų | 148.5 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | | | cis | -172.5 | 166 | 23.3 | -13 | 0 | 0 | 0 | 0 | 112.1 | | |
| 214 | E | 32.6 | Very low | 34.6 | Very low | 155 Ų | 155 | 146.7 Ų | 146.7 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | | | trans | 67.7 | 158.1 | 148.1 | -71.3 | -158.2 | 128.3 | 0 | 0 | 119.2 | | |
| 215 | K | 38 | Very low | 35.2 | Very low | 142 Ų | 142 | 146.5 Ų | 146.5 | 62% | 0.617 | 76% | 0.758 | S | S | * | * | | | cis | -156.2 | 154.8 | 2.2 | -131.7 | -175.6 | -179.6 | 82.5 | 0 | 112.6 | | |
| 216 | L | 35.3 | Very low | 35.4 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | | | trans | 61.3 | 126.1 | 151.8 | -56.9 | -167.8 | 0 | 0 | 0 | 124 | | |
| 217 | K | 36.1 | Very low | 35.6 | Very low | 165 Ų | 165 | 149.3 Ų | 149.3 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | | | | 63.9 | 107.9 | 125.1 | -64.9 | -175.1 | 177.4 | -163.9 | 0 | 122.4 | | |
| 218 | E | 37.6 | Very low | 36.6 | Very low | 164 Ų | 164 | 152.7 Ų | 152.7 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | | | | 49.7 | 97.7 | 96.9 | -169 | -176.8 | -132.9 | 0 | 0 | 118.1 | | |
| 219 | L | 36.5 | Very low | 35.8 | Very low | 165 Ų | 165 | 152.7 Ų | 152.7 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | | | | -160.9 | -176.5 | 117.8 | -133.3 | 72.1 | 0 | 0 | 0 | 111.6 | | |
| 220 | F | 37.8 | Very low | 36.1 | Very low | 191 Ų | 191 | 151.8 Ų | 151.8 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | trans | -80.5 | -179.6 | -171.4 | -113 | -118.1 | 0 | 0 | 0 | 115 | | |
| 221 | D | 35.5 | Very low | 35.9 | Very low | 142 Ų | 142 | 151 Ų | 151 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | trans | 80.5 | 113.1 | 168 | -61.2 | -15.4 | 0 | 0 | 0 | 119.1 | | |
| 222 | Y | 31.8 | Very low | 36.2 | Very low | 237 Ų | 237 | 150.5 Ų | 150.5 | 93% | 0.929 | 78% | 0.779 | S | S | * | * | | | trans | -152.1 | 126.8 | 143.4 | -120.5 | -77.1 | 0 | 0 | 0 | 112.6 | | |
| 223 | S | 34.5 | Very low | 36.3 | Very low | 101 Ų | 101 | 151.9 Ų | 151.9 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 155.8 | 175.8 | -61 | 0 | 0 | 0 | 0 | 112.7 | | |
| 224 | P | 40.3 | Very low | 36.4 | Very low | 122 Ų | 122 | 153.2 Ų | 153.2 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 149.1 | 177.8 | 26.8 | -35 | 0 | 0 | 0 | 112.9 | | |
| 225 | P | 40.5 | Very low | 37 | Very low | 127 Ų | 127 | 154.5 Ų | 154.5 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 141.9 | -164 | 32.2 | -36.4 | 0 | 0 | 0 | 114.8 | | |
| 226 | L | 39.7 | Very low | 37.4 | Very low | 174 Ų | 174 | 153.1 Ų | 153.1 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 127.3 | 161.2 | -71.8 | 167.2 | 0 | 0 | 0 | 110.2 | | |
| 227 | H | 34.5 | Very low | 37.4 | Very low | 188 Ų | 188 | 154.8 Ų | 154.8 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | | | trans | -106.5 | 134.6 | 162.6 | -153.5 | -75.3 | 0 | 0 | 0 | 110.7 | | |
| 228 | K | 45.1 | Very low | 37.3 | Very low | 181 Ų | 181 | 154.5 Ų | 154.5 | 79% | 0.787 | 79% | 0.793 | S | S | * | * | | | trans | -99.9 | 157.1 | -179.7 | -56.3 | 173.5 | -176.9 | 176.1 | 0 | 110.4 | | |
| 229 | S | 30.5 | Very low | 37.4 | Very low | 106 Ų | 106 | 158.6 Ų | 158.6 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | | | trans | -164.6 | 121 | 140.5 | 56.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 230 | L | 34.6 | Very low | 37.4 | Very low | 154 Ų | 154 | 157.1 Ų | 157.1 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | | | trans | 62.6 | 98.3 | 147.7 | -63.1 | 166.9 | 0 | 0 | 0 | 119 | | |
| 231 | D | 30 | Very low | 37.3 | Very low | 150 Ų | 150 | 157.8 Ų | 157.8 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | | 8.9 | 138.1 | 112.2 | -47 | -82.3 | 0 | 0 | 0 | 116.6 | | |
| 232 | A | 36.2 | Very low | 37.5 | Very low | 96 Ų | 96 | 155.1 Ų | 155.1 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | | | cis | -160.2 | 179.2 | 26.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 233 | R | 38.9 | Very low | 38.2 | Very low | 208 Ų | 208 | 149.4 Ų | 149.4 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | trans | 93.7 | 126 | 158.9 | -164.4 | 173.2 | 176.5 | 136.2 | 18.2 | 117.8 | | |
| 234 | E | 38.4 | Very low | 38.8 | Very low | 121 Ų | 121 | 151.8 Ų | 151.8 | 57% | 0.565 | 78% | 0.784 | S | S | * | * | | | trans | 71 | 76.6 | 156.4 | -76.2 | 156.7 | -178.8 | 0 | 0 | 121.5 | | |
| 235 | K | 44.1 | Very low | 38.8 | Very low | 183 Ų | 183 | 157.2 Ų | 157.2 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | | | | 63.8 | 111.2 | 117 | -66.7 | 168.9 | -173.9 | 168.9 | 0 | 120 | | |
| 236 | S | 46.9 | Very low | 39.1 | Very low | 113 Ų | 113 | 158.2 Ų | 158.2 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | | 61.7 | 74.2 | 121.3 | -175.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 237 | I | 36.8 | Very low | 39.5 | Very low | 162 Ų | 162 | 158.6 Ų | 158.6 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | | | trans | -163.7 | 139.8 | 156.4 | -96.9 | 141.1 | 0 | 0 | 0 | 104.8 | | |
| 238 | F | 32.3 | Very low | 39.9 | Very low | 160 Ų | 160 | 158.3 Ų | 158.3 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | | | cis | -139.6 | 146 | 6.6 | -151.8 | -129.5 | 0 | 0 | 0 | 110.1 | E240 | F238-E240 WeakPolarHBondContact CD1-O 3.48Å; F238-E240 HydrophobicContact CE1-CB 4.2Å; F238-E240 WeakPolarHBondContact CE1-O 3.38Å; F238-E240 HydrophobicContact CZ-CB 4.43Å |
| 239 | R | 40 | Very low | 40 | Very low | 250 Ų | 250 | 156.7 Ų | 156.7 | 94% | 0.943 | 78% | 0.78 | S | S | * | * | | | trans | -135.9 | 54.2 | 174.1 | -123.3 | -63.3 | -168.5 | -140.8 | -0.5 | 110.9 | | |
| 240 | E | 37.3 | Very low | 40.5 | Very low | 134 Ų | 134 | 156.4 Ų | 156.4 | 63% | 0.626 | 78% | 0.784 | S | S | * | * | | | trans | -150.7 | 118.1 | 172.7 | -120.1 | 176.1 | 147.3 | 0 | 0 | 111.8 | F238 | F238-E240 WeakPolarHBondContact CD1-O 3.48Å; F238-E240 HydrophobicContact CE1-CB 4.2Å; F238-E240 WeakPolarHBondContact CE1-O 3.38Å; F238-E240 HydrophobicContact CZ-CB 4.43Å |
| 241 | E | 34.5 | Very low | 40.9 | Very low | 205 Ų | 205 | 154.1 Ų | 154.1 | 96% | 0.958 | 78% | 0.781 | S | S | * | * | | | trans | -121.4 | 103.7 | 140 | -174.9 | 173.9 | -178.1 | 0 | 0 | 106 | | |
| 242 | S | 40.1 | Very low | 42.2 | Very low | 85 Ų | 85 | 154.9 Ų | 154.9 | 59% | 0.594 | 79% | 0.785 | S | S | * | * | | | trans | -144.3 | 120.6 | 177.8 | -173.1 | 0 | 0 | 0 | 0 | 107.7 | L244 | S242-L244 PolarHBondContact O-N 2.91Š|
| 243 | P | 47 | Very low | 42.5 | Very low | 118 Ų | 118 | 154.2 Ų | 154.2 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | | | trans | -74.8 | 117.9 | -163.1 | 26.1 | -33.7 | 0 | 0 | 0 | 113.4 | | |
| 244 | L | 47 | Very low | 43.1 | Very low | 150 Ų | 150 | 154.1 Ų | 154.1 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | 56 | 84.4 | 147 | -56.1 | 178 | 0 | 0 | 0 | 117.5 | S242 | S242-L244 PolarHBondContact O-N 2.91Š|
| 245 | R | 41.3 | Very low | 43.6 | Very low | 236 Ų | 236 | 158.7 Ų | 158.7 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | | | trans | -107.5 | 97.2 | 141.4 | -73.9 | -173.6 | -65.9 | -179.8 | -2.2 | 109.3 | K247 | R245-K247 PolarHBondContact O-N 3.48Š|
| 246 | I | 46.5 | Very low | 43.9 | Very low | 148 Ų | 148 | 155.5 Ų | 155.5 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | | | trans | -60.9 | 110.1 | -178.4 | -59.8 | 172.1 | 0 | 0 | 0 | 109.4 | | |
| 247 | K | 47.7 | Very low | 44.1 | Very low | 182 Ų | 182 | 157.2 Ų | 157.2 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | trans | -116.4 | 111.4 | 160.3 | -72.3 | -172.1 | 175.4 | -175.2 | 0 | 107.3 | R245 I249 | R245-K247 PolarHBondContact O-N 3.48Å; K247-I249 PolarHBondContact O-N 3.42Å |
| 248 | M | 43.5 | Very low | 45.2 | Very low | 183 Ų | 183 | 155.1 Ų | 155.1 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | | | trans | -66.7 | 114.1 | 172.4 | -72.6 | 171.2 | 58.5 | 0 | 0 | 109 | | |
| 249 | I | 46.1 | Very low | 46.5 | Very low | 147 Ų | 147 | 155 Ų | 155 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | | | trans | -116.4 | 123.1 | 163.1 | -58.7 | 178.7 | 0 | 0 | 0 | 105.2 | K247 S251 | K247-I249 PolarHBondContact O-N 3.42Å; I249-S251 PolarHBondContact O-N 2.9Å |
| 250 | A | 41.1 | Very low | 47.5 | Very low | 99 Ų | 99 | 150.1 Ų | 150.1 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -70.6 | 117.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | D252 | A250-D252 PolarHBondContact O-N 2.9Å; A250-D252 VanDerWaalsContact O-N 3.15Å |
| 251 | S | 43.1 | Very low | 48.3 | Very low | 106 Ų | 106 | 153.2 Ų | 153.2 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | | | trans | -71.1 | 103.4 | 167.6 | -54.6 | 0 | 0 | 0 | 0 | 108.9 | I249 S253 | I249-S251 PolarHBondContact O-N 2.9Å; S251-S253 PolarHBondContact O-N 3.43Å; S251-S253 PolarHBondContact O-OG 2.91Å |
| 252 | D | 56.4 | Low | 49.4 | Very low | 167 Ų | 167 | 151.2 Ų | 151.2 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | | | trans | -59.4 | 123.6 | 169.3 | -170.7 | 9.8 | 0 | 0 | 0 | 109 | A250 | A250-D252 PolarHBondContact O-N 2.9Å; A250-D252 VanDerWaalsContact O-N 3.15Å |
| 253 | S | 42.7 | Very low | 50.2 | Low | 81 Ų | 81 | 151 Ų | 151 | 57% | 0.566 | 78% | 0.78 | S | S | * | * | | | trans | -150.8 | 125.5 | -173.8 | 47.3 | 0 | 0 | 0 | 0 | 108.2 | S251 R255 | S251-S253 PolarHBondContact O-N 3.43Å; S251-S253 PolarHBondContact O-OG 2.91Å; S253-R255 PolarHBondContact O-N 3.18Å |
| 254 | H | 52.8 | Low | 50.7 | Low | 206 Ų | 206 | 151.2 Ų | 151.2 | 95% | 0.954 | 78% | 0.782 | S | S | * | * | | | trans | -49.6 | 104 | -172.4 | -90.5 | -51.8 | 0 | 0 | 0 | 112.6 | | |
| 255 | R | 47.4 | Very low | 51.3 | Low | 217 Ų | 217 | 150.3 Ų | 150.3 | 82% | 0.819 | 78% | 0.782 | S | S | * | * | | | trans | -100 | 138.7 | 162.1 | -81 | -177.5 | 163.4 | -174.4 | -4.8 | 109.3 | S253 E257 | S253-R255 PolarHBondContact O-N 3.18Å; R255-E257 PolarHBondContact O-N 3.41Å |
| 256 | P | 50.9 | Low | 52 | Low | 117 Ų | 117 | 144.3 Ų | 144.3 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | | | trans | -66.2 | 122.8 | 167.2 | 27.7 | -32.5 | 0 | 0 | 0 | 109.8 | V258 | P256-V258 PolarHBondContact O-N 2.78Š|
| 257 | E | 52.4 | Low | 52.5 | Low | 148 Ų | 148 | 146.2 Ų | 146.2 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | | | trans | -72.5 | 85.5 | -179.1 | -66.9 | -170.2 | 152.1 | 0 | 0 | 112.4 | R255 K259 | R255-E257 PolarHBondContact O-N 3.41Å; E257-K259 PolarHBondContact O-N 2.87Å; E257-K259 WeakPolarHBondContact OE2-CE 3.16Å; E257-K259 IonicContact OE2-NZ 2.86Å; E257-K259 PolarHBondContact OE2-NZ 2.93Å |
| 258 | V | 59.5 | Low | 52.4 | Low | 118 Ų | 118 | 144.4 Ų | 144.4 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | | | trans | -74.9 | 95 | 169.2 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | P256 L260 | P256-V258 PolarHBondContact O-N 2.78Å; V258-L260 VanDerWaalsContact C-N 3.33Å; V258-L260 HydrophobicContact CG1-CG 4.46Å; V258-L260 PolarHBondContact O-N 3.31Å |
| 259 | K | 58.4 | Low | 52.2 | Low | 157 Ų | 157 | 142.8 Ų | 142.8 | 68% | 0.683 | 78% | 0.779 | S | S | * | * | | | trans | -74.6 | 78 | -176.6 | -74.8 | 171.4 | 178 | 157.4 | 0 | 112.4 | E257 K261 | E257-K259 PolarHBondContact O-N 2.87Å; E257-K259 WeakPolarHBondContact OE2-CE 3.16Å; E257-K259 IonicContact OE2-NZ 2.86Å; E257-K259 PolarHBondContact OE2-NZ 2.93Å; K259-K261 PolarHBondContact O-N 2.67Å |
| 260 | L | 62.8 | Low | 52.6 | Low | 148 Ų | 148 | 139.9 Ų | 139.9 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | | | trans | -64.3 | 91.6 | 172.6 | -79.3 | 168 | 0 | 0 | 0 | 111.6 | V258 M262 | V258-L260 VanDerWaalsContact C-N 3.33Å; V258-L260 HydrophobicContact CG1-CG 4.46Å; V258-L260 PolarHBondContact O-N 3.31Å; L260-M262 VanDerWaalsContact C-N 3.32Å; L260-M262 PolarHBondContact O-N 2.9Å |
| 261 | K | 53 | Low | 53.1 | Low | 199 Ų | 199 | 142.2 Ų | 142.2 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | | | trans | -73.9 | 79.4 | 169.9 | -77.9 | -81.6 | -171.6 | 171.2 | 0 | 110.6 | K259 A263 | K259-K261 PolarHBondContact O-N 2.67Å; K261-A263 PolarHBondContact O-N 3.34Å |
| 262 | M | 57 | Low | 53.4 | Low | 164 Ų | 164 | 147.5 Ų | 147.5 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | | | trans | -71.3 | 109.7 | 165.4 | -69 | -58.2 | -64.1 | 0 | 0 | 109.4 | L260 | L260-M262 VanDerWaalsContact C-N 3.32Å; L260-M262 PolarHBondContact O-N 2.9Å |
| 263 | A | 57.9 | Low | 53.3 | Low | 79 Ų | 79 | 146.2 Ų | 146.2 | 65% | 0.653 | 78% | 0.775 | S | S | * | * | | | trans | -79.6 | 130.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | K261 V265 | K261-A263 PolarHBondContact O-N 3.34Å; A263-V265 PolarHBondContact O-N 2.63Å; A263-V265 VanDerWaalsContact O-N 3.17Å |
| 264 | P | 57.4 | Low | 53.9 | Low | 124 Ų | 124 | 144.7 Ų | 144.7 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | | | trans | -69.4 | 112.1 | 171.4 | 28.3 | -32 | 0 | 0 | 0 | 109 | | |
| 265 | V | 60.3 | Low | 54.1 | Low | 130 Ų | 130 | 138.1 Ų | 138.1 | 79% | 0.788 | 75% | 0.745 | S | S | * | * | | | trans | -69.2 | 127.8 | 165.8 | 177.7 | 0 | 0 | 0 | 0 | 107.3 | A263 L267 | A263-V265 PolarHBondContact O-N 2.63Å; A263-V265 VanDerWaalsContact O-N 3.17Å; V265-L267 PolarHBondContact O-N 3.17Å |
| 266 | P | 55.1 | Low | 54.7 | Low | 111 Ų | 111 | 133 Ų | 133 | 72% | 0.721 | 73% | 0.733 | S | S | * | * | | | trans | -57.8 | 126.2 | 174.4 | -24.5 | 34.8 | 0 | 0 | 0 | 110.7 | D268 | P266-D268 PolarHBondContact O-N 3.1Š|
| 267 | L | 57.1 | Low | 55.1 | Low | 187 Ų | 187 | 132.2 Ų | 132.2 | 98% | 0.979 | 73% | 0.726 | S | S | * | * | | | trans | -82 | 98.8 | 166.3 | -174.7 | 72.3 | 0 | 0 | 0 | 106.9 | V265 | V265-L267 PolarHBondContact O-N 3.17Š|
| 268 | D | 45.4 | Very low | 55.8 | Low | 144 Ų | 144 | 132.2 Ų | 132.2 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | | | trans | -129.8 | 167.2 | -179.8 | -159.7 | 5.3 | 0 | 0 | 0 | 110.2 | P266 | P266-D268 PolarHBondContact O-N 3.1Š|
| 269 | D | 38.4 | Very low | 56.2 | Low | 149 Ų | 149 | 130.7 Ų | 130.7 | 80% | 0.797 | 71% | 0.712 | S | S | * | * | | | | -75.9 | 170 | -129 | -146.6 | -8.9 | 0 | 0 | 0 | 117.9 | | |
| 270 | S | 54.5 | Low | 56.9 | Low | 86 Ų | 86 | 131.8 Ų | 131.8 | 60% | 0.601 | 71% | 0.711 | S | S | * | * | | | trans | -59.7 | 169.3 | -178 | -169.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 271 | N | 51.8 | Low | 57.2 | Low | 148 Ų | 148 | 130.1 Ų | 130.1 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | | | trans | 84.6 | 71.7 | 169.2 | -47.2 | -72.1 | 0 | 0 | 0 | 117.7 | | |
| 272 | R | 50.6 | Low | 58.1 | Low | 217 Ų | 217 | 126.1 Ų | 126.1 | 82% | 0.819 | 69% | 0.69 | S | S | * | * | | | trans | -145 | 116.9 | 147.5 | -148.3 | 174.2 | -160 | -122.9 | 2.2 | 113.4 | A274 | R272-A274 VanDerWaalsContact C-N 3.26Å; R272-A274 HydrophobicContact CG-CB 4.46Å; R272-A274 PolarHBondContact O-N 3.1Å |
| 273 | P | 53.8 | Low | 58.8 | Low | 141 Ų | 141 | 120.8 Ų | 120.8 | 92% | 0.916 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 71.1 | -179.8 | 32.5 | -35.5 | 0 | 0 | 0 | 111.5 | | |
| 274 | A | 55.1 | Low | 59.3 | Low | 49 Ų | 49 | 119.2 Ų | 119.2 | 41% | 0.405 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -143.5 | 1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | R272 | R272-A274 VanDerWaalsContact C-N 3.26Å; R272-A274 HydrophobicContact CG-CB 4.46Å; R272-A274 PolarHBondContact O-N 3.1Å |
| 275 | S | 57.4 | Low | 59.6 | Low | 68 Ų | 68 | 117.3 Ų | 117.3 | 48% | 0.476 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -83.9 | -41.4 | 176.6 | 49.1 | 0 | 0 | 0 | 0 | 113.4 | T277 K278 D279 | S275-T277 PolarHBondContact O-N 2.87Å; S275-K278 WeakPolarHBondContact O-CA 3.32Å; S275-K278 WeakPolarHBondContact O-CB 3.4Å; S275-K278 PolarHBondContact O-N 3.06Å; S275-D279 PolarHBondContact O-N 2.89Å |
| 276 | L | 59.1 | Low | 59.8 | Low | 110 Ų | 110 | 117.6 Ų | 117.6 | 58% | 0.576 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -53.9 | -26.2 | -169.5 | -158.7 | 85 | 0 | 0 | 0 | 114.7 | R280 | L276-R280 VanDerWaalsContact O-CB 3.3Å; L276-R280 WeakPolarHBondContact O-CB 3.43Å; L276-R280 WeakPolarHBondContact O-CG 3.17Å; L276-R280 PolarHBondContact O-N 3.44Å |
| 277 | T | 61 | Low | 60.3 | Low | 99 Ų | 99 | 117.9 Ų | 117.9 | 61% | 0.607 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.2 | -38.2 | 175.3 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | S275 L281 | S275-T277 PolarHBondContact O-N 2.87Å; T277-L281 WeakPolarHBondContact O-CB 3.47Å; T277-L281 PolarHBondContact O-N 3.19Å |
| 278 | K | 65.5 | Low | 60.3 | Low | 149 Ų | 149 | 115.4 Ų | 115.4 | 65% | 0.648 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.8 | -42.5 | 174.3 | -61.6 | -177.5 | -179.4 | -179.6 | 0 | 110.8 | S275 R280 L281 L282 | S275-K278 WeakPolarHBondContact O-CA 3.32Å; S275-K278 WeakPolarHBondContact O-CB 3.4Å; S275-K278 PolarHBondContact O-N 3.06Å; K278-R280 VanDerWaalsContact C-N 3.34Å; K278-R280 PolarHBondContact O-N 2.73Å; K278-L281 WeakPolarHBondContact O-CB 3.3Å; K278-L281 PolarHBondContact O-N 2.76Å; K278-L281 VanDerWaalsContact O-N 3.09Å; K278-L282 WeakPolarHBondContact O-CG 3.49Å; K278-L282 PolarHBondContact O-N 2.98Å |
| 279 | D | 69.1 | Low | 60.9 | Low | 86 Ų | 86 | 113 Ų | 113 | 46% | 0.46 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.2 | -39.2 | 178.3 | -55.1 | -36.1 | 0 | 0 | 0 | 111.1 | S275 L282 A283 | S275-D279 PolarHBondContact O-N 2.89Å; D279-L282 PolarHBondContact O-N 3.23Å; D279-A283 VanDerWaalsContact O-CB 3.24Å; D279-A283 WeakPolarHBondContact O-CB 3.37Å; D279-A283 PolarHBondContact O-N 3.08Å |
| 280 | R | 72.7 | Confident | 61.4 | Low | 180 Ų | 180 | 111.7 Ų | 111.7 | 68% | 0.679 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.7 | -34.8 | 170 | -84.7 | -179.6 | 160.4 | 157.9 | -3.5 | 113.5 | L276 K278 S284 | L276-R280 VanDerWaalsContact O-CB 3.3Å; L276-R280 WeakPolarHBondContact O-CB 3.43Å; L276-R280 WeakPolarHBondContact O-CG 3.17Å; L276-R280 PolarHBondContact O-N 3.44Å; K278-R280 VanDerWaalsContact C-N 3.34Å; K278-R280 PolarHBondContact O-N 2.73Å; R280-S284 VanDerWaalsContact O-CB 3.27Å; R280-S284 WeakPolarHBondContact O-CB 3.21Å; R280-S284 PolarHBondContact O-N 3.35Å; R280-S284 PolarHBondContact O-OG 3.08Å; R280-S284 VanDerWaalsContact O-OG 3.13Å |
| 281 | L | 70 | Confident | 61.5 | Low | 112 Ų | 112 | 116.7 Ų | 116.7 | 59% | 0.586 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.7 | -42 | 176.3 | -123.9 | 156 | 0 | 0 | 0 | 111.5 | T277 K278 S284 T285 | T277-L281 WeakPolarHBondContact O-CB 3.47Å; T277-L281 PolarHBondContact O-N 3.19Å; K278-L281 WeakPolarHBondContact O-CB 3.3Å; K278-L281 PolarHBondContact O-N 2.76Å; K278-L281 VanDerWaalsContact O-N 3.09Å; L281-S284 PolarHBondContact O-N 3.16Å; L281-S284 PolarHBondContact O-OG 3.09Å; L281-S284 VanDerWaalsContact O-OG 3.08Å; L281-T285 HydrophobicContact CD2-CG2 4.44Å; L281-T285 WeakPolarHBondContact O-CG2 3.16Å; L281-T285 PolarHBondContact O-N 3.28Å; L281-T285 PolarHBondContact O-OG1 3.45Å |
| 282 | L | 71.7 | Confident | 61.6 | Low | 115 Ų | 115 | 118.1 Ų | 118.1 | 60% | 0.602 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64 | -48.7 | 173.6 | -71.5 | 170.4 | 0 | 0 | 0 | 110.8 | K278 D279 S284 T285 L286 | K278-L282 WeakPolarHBondContact O-CG 3.49Å; K278-L282 PolarHBondContact O-N 2.98Å; D279-L282 PolarHBondContact O-N 3.23Å; L282-S284 VanDerWaalsContact C-N 3.32Å; L282-S284 PolarHBondContact O-N 2.92Å; L282-T285 WeakPolarHBondContact CA-OG1 3.43Å; L282-T285 PolarHBondContact O-N 3.09Å; L282-T285 PolarHBondContact O-OG1 2.94Å; L282-L286 WeakPolarHBondContact O-CB 3.27Å; L282-L286 PolarHBondContact O-N 3.2Å |
| 283 | A | 72 | Confident | 61.6 | Low | 52 Ų | 52 | 115.6 Ų | 115.6 | 43% | 0.43 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -59.6 | -40 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D279 L286 V287 | D279-A283 VanDerWaalsContact O-CB 3.24Å; D279-A283 WeakPolarHBondContact O-CB 3.37Å; D279-A283 PolarHBondContact O-N 3.08Å; A283-L286 PolarHBondContact O-N 3.1Å; A283-V287 WeakPolarHBondContact O-CB 3.2Å; A283-V287 VanDerWaalsContact O-CG2 3.31Å; A283-V287 WeakPolarHBondContact O-CG2 3.47Å; A283-V287 PolarHBondContact O-N 2.89Å |
| 284 | S | 68.1 | Low | 61.5 | Low | 47 Ų | 47 | 116 Ų | 116 | 33% | 0.329 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -71.9 | -36.4 | 176.8 | 70.9 | 0 | 0 | 0 | 0 | 112.4 | R280 L281 L282 L286 V287 H288 | R280-S284 VanDerWaalsContact O-CB 3.27Å; R280-S284 WeakPolarHBondContact O-CB 3.21Å; R280-S284 PolarHBondContact O-N 3.35Å; R280-S284 PolarHBondContact O-OG 3.08Å; R280-S284 VanDerWaalsContact O-OG 3.13Å; L281-S284 PolarHBondContact O-N 3.16Å; L281-S284 PolarHBondContact O-OG 3.09Å; L281-S284 VanDerWaalsContact O-OG 3.08Å; L282-S284 VanDerWaalsContact C-N 3.32Å; L282-S284 PolarHBondContact O-N 2.92Å; S284-L286 VanDerWaalsContact C-N 3.31Å; S284-L286 PolarHBondContact O-N 3.23Å; S284-V287 PolarHBondContact O-N 2.94Å; S284-H288 VanDerWaalsContact O-CB 3.3Å; S284-H288 WeakPolarHBondContact O-CB 3.48Å; S284-H288 PolarHBondContact O-N 2.77Å; S284-H288 PolarHBondContact O-ND1 2.75Å |
| 285 | T | 62.7 | Low | 61.6 | Low | 84 Ų | 84 | 119.9 Ų | 119.9 | 52% | 0.515 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.8 | -32.4 | 171.8 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | L281 L282 H288 S289 | L281-T285 HydrophobicContact CD2-CG2 4.44Å; L281-T285 WeakPolarHBondContact O-CG2 3.16Å; L281-T285 PolarHBondContact O-N 3.28Å; L281-T285 PolarHBondContact O-OG1 3.45Å; L282-T285 WeakPolarHBondContact CA-OG1 3.43Å; L282-T285 PolarHBondContact O-N 3.09Å; L282-T285 PolarHBondContact O-OG1 2.94Å; T285-H288 CarbonylContact O-C 3.59Å; T285-S289 PolarHBondContact O-N 3.32Å |
| 286 | L | 65.1 | Low | 61.6 | Low | 135 Ų | 135 | 125.5 Ų | 125.5 | 71% | 0.707 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.7 | -39 | 174.6 | -175.5 | 64.3 | 0 | 0 | 0 | 112.2 | L282 A283 S284 | L282-L286 WeakPolarHBondContact O-CB 3.27Å; L282-L286 PolarHBondContact O-N 3.2Å; A283-L286 PolarHBondContact O-N 3.1Å; S284-L286 VanDerWaalsContact C-N 3.31Å; S284-L286 PolarHBondContact O-N 3.23Å |
| 287 | V | 65.5 | Low | 62 | Low | 117 Ų | 117 | 127.8 Ų | 127.8 | 71% | 0.709 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -78.4 | -32.6 | 178.1 | 170.7 | 0 | 0 | 0 | 0 | 112.4 | A283 S284 S289 | A283-V287 WeakPolarHBondContact O-CB 3.2Å; A283-V287 VanDerWaalsContact O-CG2 3.31Å; A283-V287 WeakPolarHBondContact O-CG2 3.47Å; A283-V287 PolarHBondContact O-N 2.89Å; S284-V287 PolarHBondContact O-N 2.94Å; V287-S289 VanDerWaalsContact C-N 3.26Å; V287-S289 PolarHBondContact O-N 3.4Å |
| 288 | H | 57.3 | Low | 62.5 | Low | 136 Ų | 136 | 125.3 Ų | 125.3 | 63% | 0.63 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 38.8 | 173.9 | -59.1 | 83.6 | 0 | 0 | 0 | 111.6 | S284 T285 V290 | S284-H288 VanDerWaalsContact O-CB 3.3Å; S284-H288 WeakPolarHBondContact O-CB 3.48Å; S284-H288 PolarHBondContact O-N 2.77Å; S284-H288 PolarHBondContact O-ND1 2.75Å; T285-H288 CarbonylContact O-C 3.59Å; H288-V290 VanDerWaalsContact C-N 3.3Å; H288-V290 PolarHBondContact O-N 3.03Å |
| 289 | S | 57 | Low | 62.6 | Low | 92 Ų | 92 | 124.5 Ų | 124.5 | 64% | 0.643 | 63% | 0.625 | S | S | * | * | | | trans | -62.7 | 92.6 | 168.9 | 61.9 | 0 | 0 | 0 | 0 | 108.9 | T285 V287 K291 | T285-S289 PolarHBondContact O-N 3.32Å; V287-S289 VanDerWaalsContact C-N 3.26Å; V287-S289 PolarHBondContact O-N 3.4Å; S289-K291 PolarHBondContact O-N 3.25Å |
| 290 | V | 48.9 | Very low | 62.3 | Low | 123 Ų | 123 | 127.2 Ų | 127.2 | 75% | 0.745 | 63% | 0.633 | S | S | * | * | | | trans | -56 | 129.7 | -171.7 | 173.1 | 0 | 0 | 0 | 0 | 110 | H288 K292 | H288-V290 VanDerWaalsContact C-N 3.3Å; H288-V290 PolarHBondContact O-N 3.03Å; V290-K292 PolarHBondContact O-N 3.37Å |
| 291 | K | 56.9 | Low | 61.7 | Low | 190 Ų | 190 | 121.6 Ų | 121.6 | 83% | 0.826 | 62% | 0.616 | S | S | * | * | | | trans | -65.4 | 76.9 | -178.2 | -172 | -178.1 | 175.4 | -177.8 | 0 | 111.9 | S289 | S289-K291 PolarHBondContact O-N 3.25Š|
| 292 | K | 53.5 | Low | 61.1 | Low | 179 Ų | 179 | 122.9 Ų | 122.9 | 78% | 0.778 | 62% | 0.619 | S | S | * | * | | | trans | -109 | 136.7 | 154.2 | -74.4 | -170.1 | 172.9 | -173 | 0 | 107.5 | V290 Q294 | V290-K292 PolarHBondContact O-N 3.37Å; K292-Q294 PolarHBondContact O-N 3.29Å |
| 293 | E | 51.4 | Low | 60.6 | Low | 164 Ų | 164 | 123 Ų | 123 | 77% | 0.766 | 62% | 0.619 | S | S | * | * | | | trans | -68.3 | 81.2 | 168.6 | -63.5 | 89 | 179.1 | 0 | 0 | 110.4 | E295 | E293-E295 PolarHBondContact O-N 2.67Š|
| 294 | Q | 51.5 | Low | 59.7 | Low | 150 Ų | 150 | 127.7 Ų | 127.7 | 70% | 0.701 | 63% | 0.63 | S | S | * | * | | | trans | -62 | 113.1 | 143.6 | -176.8 | 168.6 | 20.3 | 0 | 0 | 105.3 | K292 F296 | K292-Q294 PolarHBondContact O-N 3.29Å; Q294-F296 VanDerWaalsContact C-N 3.35Å; Q294-F296 WeakPolarHBondContact O-CD2 3.46Å; Q294-F296 PolarHBondContact O-N 3.38Å |
| 295 | E | 57.9 | Low | 59 | Low | 129 Ų | 129 | 130.9 Ų | 130.9 | 60% | 0.603 | 64% | 0.643 | S | S | * | * | | | trans | -60.8 | 98.1 | -179.9 | -69.9 | -168.6 | 173.9 | 0 | 0 | 109.8 | E293 R297 | E293-E295 PolarHBondContact O-N 2.67Å; E295-R297 VanDerWaalsContact CD-NH2 3.35Å; E295-R297 PolarHBondContact O-N 3.45Å; E295-R297 IonicContact OE1-NH2 2.87Å; E295-R297 IonicContact OE2-CZ 2.68Å; E295-R297 IonicContact OE2-NE 3.18Å; E295-R297 PolarHBondContact OE2-NE 3.09Å; E295-R297 IonicContact OE2-NH2 3.51Å; E295-R297 PolarHBondContact OE2-NH2 3.22Å |
| 296 | F | 57.6 | Low | 58.6 | Low | 186 Ų | 186 | 131.5 Ų | 131.5 | 82% | 0.816 | 65% | 0.648 | S | S | * | * | | | trans | -69.2 | 74.5 | 161.4 | -69.9 | -77.2 | 0 | 0 | 0 | 108.2 | Q294 S298 | Q294-F296 VanDerWaalsContact C-N 3.35Å; Q294-F296 WeakPolarHBondContact O-CD2 3.46Å; Q294-F296 PolarHBondContact O-N 3.38Å; F296-S298 PolarHBondContact O-N 2.82Å |
| 297 | R | 65.8 | Low | 57.8 | Low | 159 Ų | 159 | 134.3 Ų | 134.3 | 60% | 0.6 | 66% | 0.658 | S | S | * | * | | | trans | -43.7 | 113.5 | 156.1 | -70 | -73.5 | 144.3 | -158.5 | 1 | 105.5 | E295 I299 | E295-R297 VanDerWaalsContact CD-NH2 3.35Å; E295-R297 PolarHBondContact O-N 3.45Å; E295-R297 IonicContact OE1-NH2 2.87Å; E295-R297 IonicContact OE2-CZ 2.68Å; E295-R297 IonicContact OE2-NE 3.18Å; E295-R297 PolarHBondContact OE2-NE 3.09Å; E295-R297 IonicContact OE2-NH2 3.51Å; E295-R297 PolarHBondContact OE2-NH2 3.22Å; R297-I299 PolarHBondContact O-N 2.87Å |
| 298 | S | 73.1 | Confident | 57.1 | Low | 46 Ų | 46 | 132.1 Ų | 132.1 | 32% | 0.322 | 65% | 0.652 | S | S | . | * | | | trans | -61 | 140.2 | -159.6 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | F296 F300 D301 H302 | F296-S298 PolarHBondContact O-N 2.82Å; S298-F300 PolarHBondContact O-N 3.28Å; S298-F300 PolarHBondContact OG-N 3.25Å; S298-D301 VanDerWaalsContact CB-OD2 3.23Å; S298-D301 WeakPolarHBondContact CB-OD2 3.45Å; S298-D301 PolarHBondContact N-OD2 3.1Å; S298-D301 WeakPolarHBondContact O-CB 3.4Å; S298-D301 PolarHBondContact O-N 2.7Å; S298-H302 PolarHBondContact O-CE1 2.86Å; S298-H302 PolarHBondContact O-ND1 3.31Å |
| 299 | I | 66.6 | Low | 56.9 | Low | 133 Ų | 133 | 132.2 Ų | 132.2 | 68% | 0.682 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -28.4 | 174.9 | -38 | -179.8 | 0 | 0 | 0 | 109.1 | R297 H302 | R297-I299 PolarHBondContact O-N 2.87Å; I299-H302 PolarHBondContact O-ND1 3.25Å |
| 300 | F | 62.1 | Low | 56.9 | Low | 143 Ų | 143 | 133.8 Ų | 133.8 | 63% | 0.627 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -15.3 | 173.6 | -55.7 | -78.8 | 0 | 0 | 0 | 115.9 | S298 H302 I303 K304 | S298-F300 PolarHBondContact O-N 3.28Å; S298-F300 PolarHBondContact OG-N 3.25Å; F300-H302 VanDerWaalsContact C-N 3.33Å; F300-I303 HydrophobicContact CD1-CD1 3.93Å; F300-I303 HydrophobicContact CE1-CD1 4.41Å; F300-I303 CarbonylContact O-C 3.39Å; F300-I303 WeakPolarHBondContact O-CA 3.37Å; F300-I303 PolarHBondContact O-N 2.98Å; F300-I303 VanDerWaalsContact O-N 3.07Å; F300-K304 PolarHBondContact O-N 2.68Å |
| 301 | D | 60.5 | Low | 57.3 | Low | 61 Ų | 61 | 130.3 Ų | 130.3 | 33% | 0.326 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.2 | -34.1 | 172.9 | -74 | -41.8 | 0 | 0 | 0 | 110.9 | S298 I303 K304 | S298-D301 VanDerWaalsContact CB-OD2 3.23Å; S298-D301 WeakPolarHBondContact CB-OD2 3.45Å; S298-D301 PolarHBondContact N-OD2 3.1Å; S298-D301 WeakPolarHBondContact O-CB 3.4Å; S298-D301 PolarHBondContact O-N 2.7Å; D301-I303 PolarHBondContact O-N 3.17Å; D301-K304 WeakPolarHBondContact O-CB 3.23Å; D301-K304 PolarHBondContact O-N 3.06Å; D301-K304 IonicContact OD1-NZ 2.68Å; D301-K304 PolarHBondContact OD1-NZ 3.46Å |
| 302 | H | 57.3 | Low | 58.2 | Low | 139 Ų | 139 | 127.2 Ų | 127.2 | 64% | 0.644 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -21.3 | 168.6 | -38.9 | 102.7 | 0 | 0 | 0 | 112.6 | S298 I299 F300 K304 | S298-H302 PolarHBondContact O-CE1 2.86Å; S298-H302 PolarHBondContact O-ND1 3.31Å; I299-H302 PolarHBondContact O-ND1 3.25Å; F300-H302 VanDerWaalsContact C-N 3.33Å; H302-K304 VanDerWaalsContact C-N 3.34Å |
| 303 | I | 61.2 | Low | 59.4 | Low | 117 Ų | 117 | 121.8 Ų | 121.8 | 60% | 0.6 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -5.3 | 176.7 | -55.4 | 171.9 | 0 | 0 | 0 | 110.9 | F300 D301 L305 | F300-I303 HydrophobicContact CD1-CD1 3.93Å; F300-I303 HydrophobicContact CE1-CD1 4.41Å; F300-I303 CarbonylContact O-C 3.39Å; F300-I303 WeakPolarHBondContact O-CA 3.37Å; F300-I303 PolarHBondContact O-N 2.98Å; F300-I303 VanDerWaalsContact O-N 3.07Å; D301-I303 PolarHBondContact O-N 3.17Å; I303-L305 PolarHBondContact O-N 3.02Å |
| 304 | K | 53.8 | Low | 61.3 | Low | 152 Ų | 152 | 117.4 Ų | 117.4 | 66% | 0.661 | 60% | 0.595 | S | S | * | * | | | trans | -72.7 | 54.1 | 154.7 | -63.1 | 174.3 | -177 | 152.7 | 0 | 110.4 | F300 D301 H302 P306 | F300-K304 PolarHBondContact O-N 2.68Å; D301-K304 WeakPolarHBondContact O-CB 3.23Å; D301-K304 PolarHBondContact O-N 3.06Å; D301-K304 IonicContact OD1-NZ 2.68Å; D301-K304 PolarHBondContact OD1-NZ 3.46Å; H302-K304 VanDerWaalsContact C-N 3.34Å; K304-P306 WeakPolarHBondContact O-CD 3.37Å |
| 305 | L | 53 | Low | 63.1 | Low | 114 Ų | 114 | 112.9 Ų | 112.9 | 60% | 0.597 | 58% | 0.58 | S | S | * | * | | | trans | -48 | 123.1 | 153 | -170.5 | 76.6 | 0 | 0 | 0 | 106.3 | I303 Q307 | I303-L305 PolarHBondContact O-N 3.02Å; L305-Q307 PolarHBondContact O-N 3.47Å |
| 306 | P | 53.7 | Low | 64.8 | Low | 97 Ų | 97 | 112.8 Ų | 112.8 | 63% | 0.63 | 58% | 0.578 | S | S | * | * | | | trans | -51.3 | 143.2 | 167.9 | -24.2 | 34.1 | 0 | 0 | 0 | 108.2 | K304 A308 | K304-P306 WeakPolarHBondContact O-CD 3.37Å; P306-A308 HydrophobicContact CB-CB 4.45Å; P306-A308 PolarHBondContact O-N 3.31Å |
| 307 | Q | 49.7 | Very low | 66.6 | Low | 193 Ų | 193 | 108.8 Ų | 108.8 | 90% | 0.902 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -74.8 | 65.3 | 178.4 | -64.1 | -161.2 | 2.1 | 0 | 0 | 110.4 | L305 | L305-Q307 PolarHBondContact O-N 3.47Š|
| 308 | A | 49.7 | Very low | 68 | Low | 72 Ų | 72 | 105.4 Ų | 105.4 | 60% | 0.595 | 56% | 0.555 | S | S | * | * | | | trans | -103.4 | -9.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P306 K310 | P306-A308 HydrophobicContact CB-CB 4.45Å; P306-A308 PolarHBondContact O-N 3.31Å; A308-K310 PolarHBondContact O-N 3.41Å |
| 309 | N | 53.5 | Low | 69.1 | Low | 138 Ų | 138 | 108.5 Ų | 108.5 | 74% | 0.738 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -68.7 | 68.6 | 150.6 | -73.2 | -2.9 | 0 | 0 | 0 | 108.2 | S311 | N309-S311 PolarHBondContact O-N 3.11Š|
| 310 | K | 57.5 | Low | 70.5 | Confident | 124 Ų | 124 | 105.8 Ų | 105.8 | 54% | 0.539 | 55% | 0.55 | S | S | . | . | | | trans | -51.4 | 111.7 | 167.5 | -58.6 | 177.6 | -175.1 | -176.7 | 0 | 105.9 | A308 E314 | A308-K310 PolarHBondContact O-N 3.41Å; K310-E314 WeakPolarHBondContact CA-OE2 3.41Å |
| 311 | S | 57.4 | Low | 72.2 | Confident | 50 Ų | 50 | 102.6 Ų | 102.6 | 35% | 0.35 | 54% | 0.542 | S | S | . | . | | | trans | -58.5 | 152.1 | -172.5 | 64 | 0 | 0 | 0 | 0 | 109.6 | N309 S313 E314 S315 | N309-S311 PolarHBondContact O-N 3.11Å; S311-S313 WeakPolarHBondContact CB-OG 3.39Å; S311-S313 PolarHBondContact O-N 3.47Å; S311-S313 VanDerWaalsContact O-N 3.1Å; S311-S313 PolarHBondContact OG-OG 3.49Å; S311-E314 WeakPolarHBondContact O-CA 3.25Å; S311-E314 WeakPolarHBondContact O-CB 3.24Å; S311-E314 PolarHBondContact O-N 3.27Å; S311-E314 VanDerWaalsContact OG-CB 3.3Å; S311-E314 WeakPolarHBondContact OG-CB 3.24Å; S311-E314 PolarHBondContact OG-N 3.44Å; S311-S315 PolarHBondContact O-N 3.03Å; S311-S315 PolarHBondContact O-OG 2.95Å |
| 312 | T | 75.3 | Confident | 73.8 | Confident | 126 Ų | 126 | 103.1 Ų | 103.1 | 77% | 0.773 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -56.7 | -30.2 | 176.7 | 47.4 | 0 | 0 | 0 | 0 | 111.7 | S315 F316 | T312-S315 PolarHBondContact O-OG 3.07Å; T312-F316 WeakPolarHBondContact O-CB 3.15Å; T312-F316 PolarHBondContact O-N 3.35Å |
| 313 | S | 79.7 | Confident | 75.7 | Confident | 65 Ų | 65 | 100.9 Ų | 100.9 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 166.7 | 34.1 | 0 | 0 | 0 | 0 | 114.5 | S311 F316 I317 | S311-S313 WeakPolarHBondContact CB-OG 3.39Å; S311-S313 PolarHBondContact O-N 3.47Å; S311-S313 VanDerWaalsContact O-N 3.1Å; S311-S313 PolarHBondContact OG-OG 3.49Å; S313-F316 PolarHBondContact O-N 2.88Å; S313-I317 WeakPolarHBondContact O-CB 3.43Å; S313-I317 WeakPolarHBondContact O-CD1 3.25Å; S313-I317 WeakPolarHBondContact O-CG1 3.45Å; S313-I317 PolarHBondContact O-N 3.2Å |
| 314 | E | 89.7 | Confident | 77.4 | Confident | 72 Ų | 72 | 99.5 Ų | 99.5 | 34% | 0.336 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -72.3 | -42.4 | 179.5 | -171.3 | -160.2 | 141.8 | 0 | 0 | 111.9 | K310 S311 F316 I317 Q318 | K310-E314 WeakPolarHBondContact CA-OE2 3.41Å; S311-E314 WeakPolarHBondContact O-CA 3.25Å; S311-E314 WeakPolarHBondContact O-CB 3.24Å; S311-E314 PolarHBondContact O-N 3.27Å; S311-E314 VanDerWaalsContact OG-CB 3.3Å; S311-E314 WeakPolarHBondContact OG-CB 3.24Å; S311-E314 PolarHBondContact OG-N 3.44Å; E314-F316 VanDerWaalsContact C-N 3.3Å; E314-F316 PolarHBondContact O-N 3.05Å; E314-I317 PolarHBondContact O-N 3.03Å; E314-Q318 WeakPolarHBondContact O-CB 3.45Å; E314-Q318 WeakPolarHBondContact O-CG 3.37Å; E314-Q318 PolarHBondContact O-N 3.41Å; E314-Q318 PolarHBondContact OE1-NE2 2.94Å |
| 315 | S | 89.9 | Confident | 79.3 | Confident | 55 Ų | 55 | 96.6 Ų | 96.6 | 39% | 0.385 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.6 | -33.7 | 173.3 | 58.3 | 0 | 0 | 0 | 0 | 111.7 | S311 T312 Q318 H319 | S311-S315 PolarHBondContact O-N 3.03Å; S311-S315 PolarHBondContact O-OG 2.95Å; T312-S315 PolarHBondContact O-OG 3.07Å; S315-Q318 PolarHBondContact O-N 3.46Å; S315-H319 WeakPolarHBondContact O-CB 3.15Å; S315-H319 PolarHBondContact O-N 2.98Å |
| 316 | F | 93.4 | Very high | 81.2 | Confident | 127 Ų | 127 | 96.3 Ų | 96.3 | 56% | 0.557 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.2 | -40.8 | 170 | 179.2 | -114 | 0 | 0 | 0 | 112.8 | T312 S313 E314 H319 I320 | T312-F316 WeakPolarHBondContact O-CB 3.15Å; T312-F316 PolarHBondContact O-N 3.35Å; S313-F316 PolarHBondContact O-N 2.88Å; E314-F316 VanDerWaalsContact C-N 3.3Å; E314-F316 PolarHBondContact O-N 3.05Å; F316-H319 WeakPolarHBondContact O-CB 3.32Å; F316-H319 PolarHBondContact O-N 2.89Å; F316-I320 HydrophobicContact CD1-CD1 3.85Å; F316-I320 HydrophobicContact CE1-CD1 3.49Å; F316-I320 VanDerWaalsContact CE1-CD1 3.49Å; F316-I320 HydrophobicContact CE2-CD1 4.22Å; F316-I320 HydrophobicContact CE2-CG1 4.46Å; F316-I320 HydrophobicContact CG-CD1 4.37Å; F316-I320 HydrophobicContact CZ-CD1 3.7Å; F316-I320 HydrophobicContact CZ-CG1 4.38Å; F316-I320 WeakPolarHBondContact O-CG1 3.46Å; F316-I320 PolarHBondContact O-N 3.08Å |
| 317 | I | 95.8 | Very high | 83.2 | Confident | 102 Ų | 102 | 94.7 Ų | 94.7 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 172.6 | -72.1 | 160.1 | 0 | 0 | 0 | 110.6 | S313 E314 H319 I320 V321 | S313-I317 WeakPolarHBondContact O-CB 3.43Å; S313-I317 WeakPolarHBondContact O-CD1 3.25Å; S313-I317 WeakPolarHBondContact O-CG1 3.45Å; S313-I317 PolarHBondContact O-N 3.2Å; E314-I317 PolarHBondContact O-N 3.03Å; I317-H319 VanDerWaalsContact C-N 3.29Å; I317-H319 PolarHBondContact O-N 2.85Å; I317-I320 PolarHBondContact O-N 3.06Å; I317-V321 HydrophobicContact CG2-CG2 4.42Å; I317-V321 WeakPolarHBondContact O-CB 3.27Å; I317-V321 VanDerWaalsContact O-CG2 3.31Å; I317-V321 WeakPolarHBondContact O-CG2 3.26Å; I317-V321 PolarHBondContact O-N 2.98Å |
| 318 | Q | 95.4 | Very high | 85 | Confident | 87 Ų | 87 | 91.6 Ų | 91.6 | 41% | 0.407 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 174.1 | -72.6 | 167.2 | 17.3 | 0 | 0 | 111.3 | E314 S315 S322 | E314-Q318 WeakPolarHBondContact O-CB 3.45Å; E314-Q318 WeakPolarHBondContact O-CG 3.37Å; E314-Q318 PolarHBondContact O-N 3.41Å; E314-Q318 PolarHBondContact OE1-NE2 2.94Å; S315-Q318 PolarHBondContact O-N 3.46Å; Q318-S322 VanDerWaalsContact O-CB 3.22Å; Q318-S322 WeakPolarHBondContact O-CB 3.47Å; Q318-S322 PolarHBondContact O-N 3.33Å |
| 319 | H | 95.9 | Very high | 86.7 | Confident | 111 Ų | 111 | 92.5 Ų | 92.5 | 51% | 0.514 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 174.7 | -175.6 | -145.7 | 0 | 0 | 0 | 112.3 | S315 F316 I317 S322 L323 | S315-H319 WeakPolarHBondContact O-CB 3.15Å; S315-H319 PolarHBondContact O-N 2.98Å; F316-H319 WeakPolarHBondContact O-CB 3.32Å; F316-H319 PolarHBondContact O-N 2.89Å; I317-H319 VanDerWaalsContact C-N 3.29Å; I317-H319 PolarHBondContact O-N 2.85Å; H319-S322 WeakPolarHBondContact O-CB 3.36Å; H319-S322 PolarHBondContact O-N 3.36Å; H319-L323 PolarHBondContact O-N 2.86Å |
| 320 | I | 96.4 | Very high | 88.1 | Confident | 76 Ų | 76 | 91.5 Ų | 91.5 | 39% | 0.39 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.6 | -48 | 174 | -69.4 | 164.4 | 0 | 0 | 0 | 110.9 | F316 I317 S322 L323 V324 | F316-I320 HydrophobicContact CD1-CD1 3.85Å; F316-I320 HydrophobicContact CE1-CD1 3.49Å; F316-I320 VanDerWaalsContact CE1-CD1 3.49Å; F316-I320 HydrophobicContact CE2-CD1 4.22Å; F316-I320 HydrophobicContact CE2-CG1 4.46Å; F316-I320 HydrophobicContact CG-CD1 4.37Å; F316-I320 HydrophobicContact CZ-CD1 3.7Å; F316-I320 HydrophobicContact CZ-CG1 4.38Å; F316-I320 WeakPolarHBondContact O-CG1 3.46Å; F316-I320 PolarHBondContact O-N 3.08Å; I317-I320 PolarHBondContact O-N 3.06Å; I320-S322 VanDerWaalsContact C-N 3.27Å; I320-S322 PolarHBondContact O-N 2.99Å; I320-L323 PolarHBondContact O-N 2.9Å; I320-V324 HydrophobicContact CG2-CG2 4.37Å; I320-V324 WeakPolarHBondContact O-CG2 3.49Å; I320-V324 PolarHBondContact O-N 3.5Å |
| 321 | V | 96.9 | Very high | 89.3 | Confident | 76 Ų | 76 | 94.3 Ų | 94.3 | 46% | 0.461 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 178.6 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | I317 H325 | I317-V321 HydrophobicContact CG2-CG2 4.42Å; I317-V321 WeakPolarHBondContact O-CB 3.27Å; I317-V321 VanDerWaalsContact O-CG2 3.31Å; I317-V321 WeakPolarHBondContact O-CG2 3.26Å; I317-V321 PolarHBondContact O-N 2.98Å; V321-H325 WeakPolarHBondContact O-CB 3.35Å; V321-H325 PolarHBondContact O-N 3.05Å; V321-H325 PolarHBondContact O-ND1 3.19Å |
| 322 | S | 95.6 | Very high | 90.3 | Very high | 72 Ų | 72 | 99.2 Ų | 99.2 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 173.1 | -172.3 | 0 | 0 | 0 | 0 | 112 | Q318 H319 I320 V324 H325 H326 | Q318-S322 VanDerWaalsContact O-CB 3.22Å; Q318-S322 WeakPolarHBondContact O-CB 3.47Å; Q318-S322 PolarHBondContact O-N 3.33Å; H319-S322 WeakPolarHBondContact O-CB 3.36Å; H319-S322 PolarHBondContact O-N 3.36Å; I320-S322 VanDerWaalsContact C-N 3.27Å; I320-S322 PolarHBondContact O-N 2.99Å; S322-V324 PolarHBondContact O-N 3.24Å; S322-H325 PolarHBondContact O-N 2.82Å; S322-H326 WeakPolarHBondContact O-CB 3.17Å; S322-H326 PolarHBondContact O-N 3.33Å |
| 323 | L | 96.4 | Very high | 90 | Very high | 93 Ų | 93 | 99 Ų | 99 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 175.7 | -119.8 | 72.5 | 0 | 0 | 0 | 112.1 | H319 I320 H326 V327 | H319-L323 PolarHBondContact O-N 2.86Å; I320-L323 PolarHBondContact O-N 2.9Å; L323-H326 PolarHBondContact O-N 3.26Å; L323-V327 WeakPolarHBondContact O-CB 3.25Å; L323-V327 WeakPolarHBondContact O-CG2 3.08Å; L323-V327 PolarHBondContact O-N 3.22Å |
| 324 | V | 96 | Very high | 89.1 | Confident | 88 Ų | 88 | 99.8 Ų | 99.8 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 177 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | I320 S322 K328 | I320-V324 HydrophobicContact CG2-CG2 4.37Å; I320-V324 WeakPolarHBondContact O-CG2 3.49Å; I320-V324 PolarHBondContact O-N 3.5Å; S322-V324 PolarHBondContact O-N 3.24Å; V324-K328 WeakPolarHBondContact O-CB 3.5Å; V324-K328 PolarHBondContact O-N 2.93Å |
| 325 | H | 94.3 | Very high | 87.8 | Confident | 90 Ų | 90 | 103 Ų | 103 | 42% | 0.417 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 172.8 | -79.4 | 80.9 | 0 | 0 | 0 | 111.7 | V321 S322 V327 K328 E329 | V321-H325 WeakPolarHBondContact O-CB 3.35Å; V321-H325 PolarHBondContact O-N 3.05Å; V321-H325 PolarHBondContact O-ND1 3.19Å; S322-H325 PolarHBondContact O-N 2.82Å; H325-V327 PolarHBondContact O-N 3.46Å; H325-K328 CarbonylContact O-C 3.56Å; H325-K328 PolarHBondContact O-N 3.39Å; H325-E329 WeakPolarHBondContact O-CB 3.32Å; H325-E329 VanDerWaalsContact O-CG 3.3Å; H325-E329 WeakPolarHBondContact O-CG 3.3Å; H325-E329 PolarHBondContact O-N 2.64Å |
| 326 | H | 93.9 | Very high | 86.6 | Confident | 109 Ų | 109 | 103.4 Ų | 103.4 | 51% | 0.505 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 177.7 | -174.9 | 82.1 | 0 | 0 | 0 | 111.9 | S322 L323 E329 Q330 | S322-H326 WeakPolarHBondContact O-CB 3.17Å; S322-H326 PolarHBondContact O-N 3.33Å; L323-H326 PolarHBondContact O-N 3.26Å; H326-E329 CarbonylContact O-C 3.22Å; H326-E329 PolarHBondContact O-N 2.8Å; H326-E329 VanDerWaalsContact O-N 3.15Å; H326-Q330 WeakPolarHBondContact O-CB 3.31Å; H326-Q330 WeakPolarHBondContact O-CG 3.28Å; H326-Q330 PolarHBondContact O-N 2.88Å |
| 327 | V | 94.2 | Very high | 85.8 | Confident | 63 Ų | 63 | 101.3 Ų | 101.3 | 38% | 0.382 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 176.5 | 170.8 | 0 | 0 | 0 | 0 | 111 | L323 H325 E329 Q330 Y331 F332 | L323-V327 WeakPolarHBondContact O-CB 3.25Å; L323-V327 WeakPolarHBondContact O-CG2 3.08Å; L323-V327 PolarHBondContact O-N 3.22Å; H325-V327 PolarHBondContact O-N 3.46Å; V327-E329 PolarHBondContact O-N 3.41Å; V327-Q330 PolarHBondContact O-N 3.48Å; V327-Y331 HydrophobicContact CB-CD2 4.49Å; V327-Y331 HydrophobicContact CG1-CD2 4.09Å; V327-Y331 WeakPolarHBondContact O-CB 3.39Å; V327-Y331 PolarHBondContact O-N 3.14Å; V327-F332 HydrophobicContact CG1-CE2 4.16Å |
| 328 | K | 88.5 | Confident | 85.3 | Confident | 127 Ų | 127 | 99.6 Ų | 99.6 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -56.9 | -38.5 | 172.1 | -177 | -176.2 | 175.9 | -171.7 | 0 | 111.7 | V324 H325 F332 K333 | V324-K328 WeakPolarHBondContact O-CB 3.5Å; V324-K328 PolarHBondContact O-N 2.93Å; H325-K328 CarbonylContact O-C 3.56Å; H325-K328 PolarHBondContact O-N 3.39Å; K328-F332 HydrophobicContact CG-CB 4.43Å; K328-F332 CarbonylContact O-C 3.58Å; K328-F332 VanDerWaalsContact O-C 3.22Å; K328-F332 VanDerWaalsContact O-CA 3.26Å; K328-F332 WeakPolarHBondContact O-CA 3.31Å; K328-F332 VanDerWaalsContact O-CB 3.27Å; K328-F332 WeakPolarHBondContact O-CB 3.47Å; K328-F332 PolarHBondContact O-N 3.24Å; K328-F332 VanDerWaalsContact O-N 3.09Å; K328-K333 PolarHBondContact O-N 2.98Å; K328-K333 VanDerWaalsContact O-N 3.16Å |
| 329 | E | 85.1 | Confident | 84.4 | Confident | 91 Ų | 91 | 100.9 Ų | 100.9 | 43% | 0.425 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -84.7 | -20.3 | -175.7 | -79.9 | -160.7 | -136.6 | 0 | 0 | 115.4 | H325 H326 V327 K333 | H325-E329 WeakPolarHBondContact O-CB 3.32Å; H325-E329 VanDerWaalsContact O-CG 3.3Å; H325-E329 WeakPolarHBondContact O-CG 3.3Å; H325-E329 PolarHBondContact O-N 2.64Å; H326-E329 CarbonylContact O-C 3.22Å; H326-E329 PolarHBondContact O-N 2.8Å; H326-E329 VanDerWaalsContact O-N 3.15Å; V327-E329 PolarHBondContact O-N 3.41Å; E329-K333 WeakPolarHBondContact O-CB 3.48Å; E329-K333 WeakPolarHBondContact O-CD 3.4Å; E329-K333 VanDerWaalsContact O-CE 3.31Å; E329-K333 WeakPolarHBondContact O-CE 3.5Å; E329-K333 VanDerWaalsContact O-CG 3.25Å; E329-K333 WeakPolarHBondContact O-CG 3.46Å; E329-K333 PolarHBondContact O-NZ 2.8Å; E329-K333 VanDerWaalsContact OE2-CE 3.28Å; E329-K333 WeakPolarHBondContact OE2-CE 3.47Å; E329-K333 IonicContact OE2-NZ 2.77Å; E329-K333 PolarHBondContact OE2-NZ 3.05Å |
| 330 | Q | 83.3 | Confident | 83.8 | Confident | 117 Ų | 117 | 100.8 Ų | 100.8 | 55% | 0.547 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -99.9 | -35.5 | 176.4 | -62.3 | -55.5 | -46.1 | 0 | 0 | 112.4 | H326 V327 | H326-Q330 WeakPolarHBondContact O-CB 3.31Å; H326-Q330 WeakPolarHBondContact O-CG 3.28Å; H326-Q330 PolarHBondContact O-N 2.88Å; V327-Q330 PolarHBondContact O-N 3.48Å |
| 331 | Y | 81.3 | Confident | 83.2 | Confident | 184 Ų | 184 | 101.9 Ų | 101.9 | 72% | 0.722 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -107.6 | -20.1 | -175.1 | -59.5 | -86.1 | 0 | 0 | 0 | 114 | V327 | V327-Y331 HydrophobicContact CB-CD2 4.49Å; V327-Y331 HydrophobicContact CG1-CD2 4.09Å; V327-Y331 WeakPolarHBondContact O-CB 3.39Å; V327-Y331 PolarHBondContact O-N 3.14Å |
| 332 | F | 78.4 | Confident | 82.9 | Confident | 153 Ų | 153 | 104.7 Ų | 104.7 | 67% | 0.671 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -115.5 | 4.7 | 178.9 | -57.9 | -101.3 | 0 | 0 | 0 | 113.8 | V327 K328 S334 | V327-F332 HydrophobicContact CG1-CE2 4.16Å; K328-F332 HydrophobicContact CG-CB 4.43Å; K328-F332 CarbonylContact O-C 3.58Å; K328-F332 VanDerWaalsContact O-C 3.22Å; K328-F332 VanDerWaalsContact O-CA 3.26Å; K328-F332 WeakPolarHBondContact O-CA 3.31Å; K328-F332 VanDerWaalsContact O-CB 3.27Å; K328-F332 WeakPolarHBondContact O-CB 3.47Å; K328-F332 PolarHBondContact O-N 3.24Å; K328-F332 VanDerWaalsContact O-N 3.09Å; F332-S334 VanDerWaalsContact C-N 3.29Å; F332-S334 PolarHBondContact O-N 3.28Å |
| 333 | K | 69.5 | Low | 82.2 | Confident | 120 Ų | 120 | 107.3 Ų | 107.3 | 52% | 0.522 | 54% | 0.542 | S | S | . | . | | | trans | -73 | 87.3 | 156.9 | -82.7 | -175.7 | -159.3 | 147.4 | 0 | 108.7 | K328 E329 P335 | K328-K333 PolarHBondContact O-N 2.98Å; K328-K333 VanDerWaalsContact O-N 3.16Å; E329-K333 WeakPolarHBondContact O-CB 3.48Å; E329-K333 WeakPolarHBondContact O-CD 3.4Å; E329-K333 VanDerWaalsContact O-CE 3.31Å; E329-K333 WeakPolarHBondContact O-CE 3.5Å; E329-K333 VanDerWaalsContact O-CG 3.25Å; E329-K333 WeakPolarHBondContact O-CG 3.46Å; E329-K333 PolarHBondContact O-NZ 2.8Å; E329-K333 VanDerWaalsContact OE2-CE 3.28Å; E329-K333 WeakPolarHBondContact OE2-CE 3.47Å; E329-K333 IonicContact OE2-NZ 2.77Å; E329-K333 PolarHBondContact OE2-NZ 3.05Å; K333-P335 VanDerWaalsContact O-CD 3.25Å; K333-P335 WeakPolarHBondContact O-CD 3.34Å |
| 334 | S | 60.9 | Low | 81.6 | Confident | 83 Ų | 83 | 105 Ų | 105 | 58% | 0.58 | 53% | 0.532 | S | S | * | . | | | trans | -65.8 | 120.2 | 165.5 | 55.4 | 0 | 0 | 0 | 0 | 109.4 | F332 A336 | F332-S334 VanDerWaalsContact C-N 3.29Å; F332-S334 PolarHBondContact O-N 3.28Å; S334-A336 PolarHBondContact O-N 3.04Å |
| 335 | P | 63 | Low | 80.6 | Confident | 140 Ų | 140 | 103.4 Ų | 103.4 | 91% | 0.909 | 53% | 0.525 | S | S | * | . | | | trans | -73.2 | 0.2 | 165.9 | 33.4 | -36.1 | 0 | 0 | 0 | 111.9 | K333 | K333-P335 VanDerWaalsContact O-CD 3.25Å; K333-P335 WeakPolarHBondContact O-CD 3.34Å |
| 336 | A | 64.4 | Low | 79.5 | Confident | 63 Ų | 63 | 107.5 Ų | 107.5 | 52% | 0.521 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -82 | 123.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | S334 T338 | S334-A336 PolarHBondContact O-N 3.04Å; A336-T338 PolarHBondContact O-N 3.24Å |
| 337 | V | 77.1 | Confident | 78.6 | Confident | 83 Ų | 83 | 108.5 Ų | 108.5 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | | | trans | -43.1 | 124.3 | 167.6 | -176.8 | 0 | 0 | 0 | 0 | 109.9 | E341 R342 | V337-E341 HydrophobicContact CG1-CB 3.37Å; V337-R342 HydrophobicContact CB-CG 4.18Å; V337-R342 HydrophobicContact CG1-CG 3.86Å; V337-R342 PolarHBondContact O-NE 3.19Å; V337-R342 VanDerWaalsContact O-NE 3.1Å |
| 338 | T | 84.3 | Confident | 77.3 | Confident | 66 Ų | 66 | 111.9 Ų | 111.9 | 41% | 0.405 | 55% | 0.552 | S | S | . | * | | | trans | -59.6 | 160 | -173.7 | 63 | 0 | 0 | 0 | 0 | 111.2 | A336 N340 E341 R342 | A336-T338 PolarHBondContact O-N 3.24Å; T338-N340 PolarHBondContact O-N 3.25Å; T338-E341 VanDerWaalsContact CB-OE2 3.24Å; T338-E341 WeakPolarHBondContact CB-OE2 3.45Å; T338-E341 VanDerWaalsContact CG2-OE2 3.25Å; T338-E341 WeakPolarHBondContact CG2-OE2 3.33Å; T338-E341 PolarHBondContact N-OE2 2.91Å; T338-E341 PolarHBondContact O-N 2.92Å; T338-E341 WeakPolarHBondContact OG1-CB 3.37Å; T338-E341 VanDerWaalsContact OG1-CD 3.25Å; T338-E341 VanDerWaalsContact OG1-CG 3.24Å; T338-E341 WeakPolarHBondContact OG1-CG 3.17Å; T338-E341 PolarHBondContact OG1-N 3.32Å; T338-E341 VanDerWaalsContact OG1-N 3.14Å; T338-E341 PolarHBondContact OG1-OE2 2.95Å; T338-R342 PolarHBondContact O-N 2.92Å |
| 339 | L | 77.9 | Confident | 75.9 | Confident | 113 Ų | 113 | 108.5 Ų | 108.5 | 59% | 0.592 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -58.1 | -36.1 | 176.4 | 176.4 | 142.9 | 0 | 0 | 0 | 111.7 | R342 F343 | L339-R342 PolarHBondContact O-N 3.42Å; L339-F343 HydrophobicContact CD1-CE2 4.31Å; L339-F343 HydrophobicContact CD2-CD2 3.73Å; L339-F343 HydrophobicContact CD2-CE2 3.71Å; L339-F343 HydrophobicContact CG-CD2 3.96Å; L339-F343 HydrophobicContact CG-CE2 3.79Å; L339-F343 WeakPolarHBondContact O-CD2 3.4Å; L339-F343 PolarHBondContact O-N 3.1Å |
| 340 | N | 81.8 | Confident | 74.4 | Confident | 110 Ų | 110 | 109.6 Ų | 109.6 | 59% | 0.588 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.6 | -44.2 | 175.6 | -172.5 | 53 | 0 | 0 | 0 | 112.9 | T338 R342 F343 T344 | T338-N340 PolarHBondContact O-N 3.25Å; N340-R342 VanDerWaalsContact C-N 3.27Å; N340-R342 PolarHBondContact O-N 3.47Å; N340-F343 PolarHBondContact O-N 2.74Å; N340-T344 PolarHBondContact O-N 3.23Å; N340-T344 PolarHBondContact O-OG1 2.88Å |
| 341 | E | 84.9 | Confident | 73.1 | Confident | 98 Ų | 98 | 111 Ų | 111 | 46% | 0.458 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.4 | -34.3 | 174.1 | -71.9 | 161.6 | 136.6 | 0 | 0 | 111.7 | V337 T338 T344 S345 | V337-E341 HydrophobicContact CG1-CB 3.37Å; T338-E341 VanDerWaalsContact CB-OE2 3.24Å; T338-E341 WeakPolarHBondContact CB-OE2 3.45Å; T338-E341 VanDerWaalsContact CG2-OE2 3.25Å; T338-E341 WeakPolarHBondContact CG2-OE2 3.33Å; T338-E341 PolarHBondContact N-OE2 2.91Å; T338-E341 PolarHBondContact O-N 2.92Å; T338-E341 WeakPolarHBondContact OG1-CB 3.37Å; T338-E341 VanDerWaalsContact OG1-CD 3.25Å; T338-E341 VanDerWaalsContact OG1-CG 3.24Å; T338-E341 WeakPolarHBondContact OG1-CG 3.17Å; T338-E341 PolarHBondContact OG1-N 3.32Å; T338-E341 VanDerWaalsContact OG1-N 3.14Å; T338-E341 PolarHBondContact OG1-OE2 2.95Å; E341-T344 WeakPolarHBondContact CA-OG1 3.22Å; E341-T344 PolarHBondContact O-OG1 3.31Å; E341-S345 WeakPolarHBondContact O-CB 3.1Å; E341-S345 PolarHBondContact O-N 3.04Å; E341-S345 PolarHBondContact O-OG 3.5Å |
| 342 | R | 89.3 | Confident | 71.5 | Confident | 135 Ų | 135 | 110 Ų | 110 | 51% | 0.509 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.4 | -50.6 | 172.1 | -76.8 | -175.9 | -79.2 | 156.3 | -0.6 | 111.7 | V337 T338 L339 N340 T344 S345 Y346 | V337-R342 HydrophobicContact CB-CG 4.18Å; V337-R342 HydrophobicContact CG1-CG 3.86Å; V337-R342 PolarHBondContact O-NE 3.19Å; V337-R342 VanDerWaalsContact O-NE 3.1Å; T338-R342 PolarHBondContact O-N 2.92Å; L339-R342 PolarHBondContact O-N 3.42Å; N340-R342 VanDerWaalsContact C-N 3.27Å; N340-R342 PolarHBondContact O-N 3.47Å; R342-T344 PolarHBondContact O-N 2.89Å; R342-S345 PolarHBondContact O-N 2.92Å; R342-S345 PolarHBondContact O-OG 3.49Å; R342-Y346 WeakPolarHBondContact O-CD2 3.48Å; R342-Y346 PolarHBondContact O-N 2.9Å |
| 343 | F | 81.6 | Confident | 69.8 | Low | 128 Ų | 128 | 109.6 Ų | 109.6 | 56% | 0.561 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.8 | -43.8 | 176.9 | -82.3 | -65 | 0 | 0 | 0 | 113.1 | L339 N340 Y346 Q347 | L339-F343 HydrophobicContact CD1-CE2 4.31Å; L339-F343 HydrophobicContact CD2-CD2 3.73Å; L339-F343 HydrophobicContact CD2-CE2 3.71Å; L339-F343 HydrophobicContact CG-CD2 3.96Å; L339-F343 HydrophobicContact CG-CE2 3.79Å; L339-F343 WeakPolarHBondContact O-CD2 3.4Å; L339-F343 PolarHBondContact O-N 3.1Å; N340-F343 PolarHBondContact O-N 2.74Å; F343-Y346 PolarHBondContact O-N 3.17Å; F343-Q347 PolarHBondContact O-N 3.32Å |
| 344 | T | 84.2 | Confident | 68.5 | Low | 43 Ų | 43 | 108.6 Ų | 108.6 | 26% | 0.264 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -71.9 | -27 | 177 | 53.4 | 0 | 0 | 0 | 0 | 113.2 | N340 E341 R342 Y346 Q347 K348 | N340-T344 PolarHBondContact O-N 3.23Å; N340-T344 PolarHBondContact O-OG1 2.88Å; E341-T344 WeakPolarHBondContact CA-OG1 3.22Å; E341-T344 PolarHBondContact O-OG1 3.31Å; R342-T344 PolarHBondContact O-N 2.89Å; T344-Y346 VanDerWaalsContact C-N 3.33Å; T344-Y346 PolarHBondContact O-N 3.4Å; T344-Q347 PolarHBondContact O-N 3.16Å; T344-K348 WeakPolarHBondContact O-CG 3.38Å; T344-K348 PolarHBondContact O-N 2.83Å |
| 345 | S | 74.8 | Confident | 67.7 | Low | 56 Ų | 56 | 109.8 Ų | 109.8 | 39% | 0.392 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65 | -35.2 | 172.6 | 72.7 | 0 | 0 | 0 | 0 | 112.3 | E341 R342 A349 | E341-S345 WeakPolarHBondContact O-CB 3.1Å; E341-S345 PolarHBondContact O-N 3.04Å; E341-S345 PolarHBondContact O-OG 3.5Å; R342-S345 PolarHBondContact O-N 2.92Å; R342-S345 PolarHBondContact O-OG 3.49Å; S345-A349 WeakPolarHBondContact O-CB 3.12Å; S345-A349 PolarHBondContact O-N 2.86Å |
| 346 | Y | 72.1 | Confident | 67.1 | Low | 176 Ų | 176 | 113.1 Ų | 113.1 | 69% | 0.69 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.2 | -39.1 | 173 | -73.3 | -67.4 | 0 | 0 | 0 | 112 | R342 F343 T344 A349 T350 | R342-Y346 WeakPolarHBondContact O-CD2 3.48Å; R342-Y346 PolarHBondContact O-N 2.9Å; F343-Y346 PolarHBondContact O-N 3.17Å; T344-Y346 VanDerWaalsContact C-N 3.33Å; T344-Y346 PolarHBondContact O-N 3.4Å; Y346-A349 PolarHBondContact O-N 2.94Å; Y346-T350 PolarHBondContact O-N 3.28Å; Y346-T350 VanDerWaalsContact O-N 3.09Å; Y346-T350 PolarHBondContact O-OG1 3.48Å |
| 347 | Q | 73.8 | Confident | 66.5 | Low | 130 Ų | 130 | 118.1 Ų | 118.1 | 61% | 0.607 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.2 | -44.6 | 176.3 | -66.8 | 173.7 | -10.2 | 0 | 0 | 111.6 | F343 T344 T350 E351 | F343-Q347 PolarHBondContact O-N 3.32Å; T344-Q347 PolarHBondContact O-N 3.16Å; Q347-T350 PolarHBondContact O-N 3.15Å; Q347-T350 PolarHBondContact O-OG1 2.85Å; Q347-E351 PolarHBondContact O-N 3.09Å |
| 348 | K | 67.6 | Low | 65.6 | Low | 134 Ų | 134 | 123 Ų | 123 | 58% | 0.583 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.4 | -35.3 | 176.1 | -68.5 | -179.7 | 177.3 | -171.8 | 0 | 112.7 | T344 T350 E351 E352 | T344-K348 WeakPolarHBondContact O-CG 3.38Å; T344-K348 PolarHBondContact O-N 2.83Å; K348-T350 VanDerWaalsContact C-N 3.26Å; K348-T350 PolarHBondContact O-N 2.75Å; K348-E351 WeakPolarHBondContact O-CB 3.35Å; K348-E351 PolarHBondContact O-N 2.77Å; K348-E352 PolarHBondContact O-N 2.83Å |
| 349 | A | 59.3 | Low | 64.4 | Low | 56 Ų | 56 | 124.9 Ų | 124.9 | 46% | 0.463 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.6 | -25.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S345 Y346 E351 | S345-A349 WeakPolarHBondContact O-CB 3.12Å; S345-A349 PolarHBondContact O-N 2.86Å; Y346-A349 PolarHBondContact O-N 2.94Å; A349-E351 VanDerWaalsContact C-N 3.3Å |
| 350 | T | 53.4 | Low | 63.8 | Low | 114 Ų | 114 | 125.1 Ų | 125.1 | 70% | 0.699 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -77.4 | -13.1 | 168.7 | 46.4 | 0 | 0 | 0 | 0 | 114 | Y346 Q347 K348 | Y346-T350 PolarHBondContact O-N 3.28Å; Y346-T350 VanDerWaalsContact O-N 3.09Å; Y346-T350 PolarHBondContact O-OG1 3.48Å; Q347-T350 PolarHBondContact O-N 3.15Å; Q347-T350 PolarHBondContact O-OG1 2.85Å; K348-T350 VanDerWaalsContact C-N 3.26Å; K348-T350 PolarHBondContact O-N 2.75Å |
| 351 | E | 55.6 | Low | 63.4 | Low | 147 Ų | 147 | 127.4 Ų | 127.4 | 69% | 0.687 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -94.6 | -50.7 | -178.1 | -164.7 | 168 | -152.8 | 0 | 0 | 111.7 | Q347 K348 A349 H353 | Q347-E351 PolarHBondContact O-N 3.09Å; K348-E351 WeakPolarHBondContact O-CB 3.35Å; K348-E351 PolarHBondContact O-N 2.77Å; A349-E351 VanDerWaalsContact C-N 3.3Å; E351-H353 VanDerWaalsContact C-N 3.27Å; E351-H353 PolarHBondContact O-N 3.37Å |
| 352 | E | 47.3 | Very low | 62.7 | Low | 162 Ų | 162 | 128.6 Ų | 128.6 | 76% | 0.757 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -9.2 | -177.7 | -68.1 | -164.6 | 150.2 | 0 | 0 | 114.9 | K348 | K348-E352 PolarHBondContact O-N 2.83Š|
| 353 | H | 42.9 | Very low | 61.5 | Low | 144 Ų | 144 | 129.9 Ų | 129.9 | 67% | 0.667 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.4 | 34.7 | -175.4 | -70 | -4.3 | 0 | 0 | 0 | 114.1 | E351 T355 | E351-H353 VanDerWaalsContact C-N 3.27Å; E351-H353 PolarHBondContact O-N 3.37Å; H353-T355 PolarHBondContact O-N 2.68Å |
| 354 | S | 41.8 | Very low | 60.9 | Low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 66% | 0.662 | S | S | * | * | | | trans | -66 | -7.3 | 171 | 62.9 | 0 | 0 | 0 | 0 | 114.6 | R356 | S354-R356 PolarHBondContact O-N 2.87Š|
| 355 | T | 45.3 | Very low | 60.3 | Low | 107 Ų | 107 | 141 Ų | 141 | 66% | 0.656 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -71.4 | 32.9 | 175.8 | 49.7 | 0 | 0 | 0 | 0 | 114.7 | H353 Q357 | H353-T355 PolarHBondContact O-N 2.68Å; T355-Q357 VanDerWaalsContact C-N 3.33Å; T355-Q357 PolarHBondContact O-N 3.44Å |
| 356 | R | 49.5 | Very low | 60.4 | Low | 211 Ų | 211 | 144.5 Ų | 144.5 | 80% | 0.796 | 70% | 0.7 | S | S | * | * | | | trans | 36.3 | 53.1 | 158 | -155.7 | 177.2 | -169.8 | -103.4 | 2.1 | 115.4 | S354 K358 | S354-R356 PolarHBondContact O-N 2.87Å; R356-K358 PolarHBondContact O-N 3.23Å; R356-K358 VanDerWaalsContact O-N 3.1Å |
| 357 | Q | 52.5 | Low | 60.4 | Low | 167 Ų | 167 | 143.3 Ų | 143.3 | 78% | 0.78 | 71% | 0.706 | S | S | * | * | | | trans | -57.3 | 118.5 | 163.2 | -70.4 | -60.4 | -22.9 | 0 | 0 | 108 | T355 S359 | T355-Q357 VanDerWaalsContact C-N 3.33Å; T355-Q357 PolarHBondContact O-N 3.44Å; Q357-S359 PolarHBondContact O-N 3.16Å; Q357-S359 VanDerWaalsContact O-N 3.08Å |
| 358 | K | 58.7 | Low | 60.7 | Low | 187 Ų | 187 | 141.9 Ų | 141.9 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | | | trans | -62.5 | 115.9 | -170.2 | -63.9 | 167.3 | -173.8 | 170.8 | 0 | 107.9 | R356 | R356-K358 PolarHBondContact O-N 3.23Å; R356-K358 VanDerWaalsContact O-N 3.1Å |
| 359 | S | 57.8 | Low | 61 | Low | 105 Ų | 105 | 138.9 Ų | 138.9 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | | | trans | -51.6 | 140 | 179.5 | -47.3 | 0 | 0 | 0 | 0 | 109.9 | Q357 E361 | Q357-S359 PolarHBondContact O-N 3.16Å; Q357-S359 VanDerWaalsContact O-N 3.08Å; S359-E361 PolarHBondContact O-N 3.49Å; S359-E361 VanDerWaalsContact O-N 3.08Å |
| 360 | P | 66.3 | Low | 61.4 | Low | 118 Ų | 118 | 140.8 Ų | 140.8 | 77% | 0.766 | 71% | 0.705 | S | S | * | * | | | trans | -50.5 | 120.1 | -179.9 | -28.5 | 35.3 | 0 | 0 | 0 | 110.8 | I362 | P360-I362 WeakPolarHBondContact O-CG1 3.3Å; P360-I362 PolarHBondContact O-N 3.49Å |
| 361 | E | 73.4 | Confident | 62 | Low | 157 Ų | 157 | 138.7 Ų | 138.7 | 73% | 0.734 | 70% | 0.695 | S | S | * | * | | | trans | -66.7 | 109.3 | -171.8 | -174.5 | 164.7 | 169.9 | 0 | 0 | 109.9 | S359 H363 | S359-E361 PolarHBondContact O-N 3.49Å; S359-E361 VanDerWaalsContact O-N 3.08Å; E361-H363 VanDerWaalsContact C-N 3.29Å; E361-H363 PolarHBondContact O-N 3.37Å; E361-H363 PolarHBondContact O-ND1 3.25Å |
| 362 | I | 70.1 | Confident | 62.6 | Low | 124 Ų | 124 | 133.8 Ų | 133.8 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | | | trans | -77.6 | 86.2 | -177.8 | -39.6 | 179.5 | 0 | 0 | 0 | 107.8 | P360 R364 R365 | P360-I362 WeakPolarHBondContact O-CG1 3.3Å; P360-I362 PolarHBondContact O-N 3.49Å; I362-R364 HydrophobicContact CG2-CB 3.99Å; I362-R364 CarbonylContact O-C 3.22Å; I362-R364 VanDerWaalsContact O-C 3.22Å; I362-R364 PolarHBondContact O-N 3.26Å; I362-R365 PolarHBondContact O-N 2.99Å |
| 363 | H | 62.7 | Low | 63.3 | Low | 161 Ų | 161 | 132 Ų | 132 | 75% | 0.745 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -54.2 | -15.4 | 176 | -66.5 | 102.2 | 0 | 0 | 0 | 113.7 | E361 R365 | E361-H363 VanDerWaalsContact C-N 3.29Å; E361-H363 PolarHBondContact O-N 3.37Å; E361-H363 PolarHBondContact O-ND1 3.25Å; H363-R365 PolarHBondContact O-N 3.44Å |
| 364 | R | 70.9 | Confident | 64.5 | Low | 195 Ų | 195 | 133.1 Ų | 133.1 | 74% | 0.736 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -70.2 | 73.8 | 158.4 | -59.2 | 175.2 | 61 | -107.7 | -1.5 | 110.1 | I362 I366 | I362-R364 HydrophobicContact CG2-CB 3.99Å; I362-R364 CarbonylContact O-C 3.22Å; I362-R364 VanDerWaalsContact O-C 3.22Å; I362-R364 PolarHBondContact O-N 3.26Å; R364-I366 PolarHBondContact O-N 3.39Å |
| 365 | R | 71.6 | Confident | 65.6 | Low | 209 Ų | 209 | 136 Ų | 136 | 79% | 0.789 | 67% | 0.673 | S | S | * | * | | | trans | -52.1 | 122.5 | 166.7 | -62.3 | 172.1 | 76.3 | 159.9 | 3.8 | 107.5 | I362 H363 D367 | I362-R365 PolarHBondContact O-N 2.99Å; H363-R365 PolarHBondContact O-N 3.44Å; R365-D367 PolarHBondContact O-N 3.16Å |
| 366 | I | 76 | Confident | 66 | Low | 131 Ų | 131 | 138.3 Ų | 138.3 | 67% | 0.672 | 68% | 0.676 | S | S | * | * | | | trans | -82.1 | 102.4 | 177.6 | -58.6 | 177.7 | 0 | 0 | 0 | 106.3 | R364 I368 | R364-I366 PolarHBondContact O-N 3.39Å; I366-I368 HydrophobicContact CG2-CB 3.96Å; I366-I368 HydrophobicContact CG2-CD1 3.9Å; I366-I368 HydrophobicContact CG2-CG1 3.85Å; I366-I368 PolarHBondContact O-N 2.72Å |
| 367 | D | 72.6 | Confident | 66.1 | Low | 150 Ų | 150 | 133.6 Ų | 133.6 | 80% | 0.802 | 67% | 0.671 | S | S | * | * | | | trans | -73.3 | 29.7 | -176.3 | -61.4 | -39.7 | 0 | 0 | 0 | 113.7 | R365 | R365-D367 PolarHBondContact O-N 3.16Š|
| 368 | I | 79.6 | Confident | 65.9 | Low | 101 Ų | 101 | 135.9 Ų | 135.9 | 52% | 0.518 | 67% | 0.672 | S | S | . | * | | | trans | -100.4 | 101.5 | 173.4 | -56.5 | 175.4 | 0 | 0 | 0 | 107.3 | I366 A372 | I366-I368 HydrophobicContact CG2-CB 3.96Å; I366-I368 HydrophobicContact CG2-CD1 3.9Å; I366-I368 HydrophobicContact CG2-CG1 3.85Å; I366-I368 PolarHBondContact O-N 2.72Å; I368-A372 HydrophobicContact CG2-CB 3.91Å |
| 369 | S | 73.9 | Confident | 65.6 | Low | 71 Ų | 71 | 133.9 Ų | 133.9 | 50% | 0.497 | 67% | 0.67 | S | S | . | * | | | trans | -58.2 | 143.5 | 179.7 | -46.8 | 0 | 0 | 0 | 0 | 111.8 | S371 A372 | S369-S371 WeakPolarHBondContact CB-OG 3.42Å; S369-S371 PolarHBondContact O-N 2.9Å; S369-A372 WeakPolarHBondContact O-CB 3.41Å; S369-A372 PolarHBondContact O-N 2.99Å |
| 370 | P | 68.3 | Low | 65.1 | Low | 96 Ų | 96 | 133.6 Ų | 133.6 | 62% | 0.623 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | 2.4 | 175.8 | -26 | 35.7 | 0 | 0 | 0 | 116.3 | R374 | P370-R374 PolarHBondContact O-NE 3.06Å; P370-R374 VanDerWaalsContact O-NE 3.13Å; P370-R374 PolarHBondContact O-NH2 3.07Å |
| 371 | S | 65.9 | Low | 64 | Low | 70 Ų | 70 | 130.7 Ų | 130.7 | 49% | 0.49 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.4 | -27.9 | 169 | 52.7 | 0 | 0 | 0 | 0 | 113 | S369 R374 | S369-S371 WeakPolarHBondContact CB-OG 3.42Å; S369-S371 PolarHBondContact O-N 2.9Å; S371-R374 WeakPolarHBondContact O-CB 3.42Å; S371-R374 PolarHBondContact O-N 2.88Å |
| 372 | A | 68.3 | Low | 62.3 | Low | 43 Ų | 43 | 132.3 Ų | 132.3 | 36% | 0.355 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.6 | -48.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I368 S369 R374 K375 | I368-A372 HydrophobicContact CG2-CB 3.91Å; S369-A372 WeakPolarHBondContact O-CB 3.41Å; S369-A372 PolarHBondContact O-N 2.99Å; A372-R374 PolarHBondContact O-N 3.07Å; A372-R374 VanDerWaalsContact O-N 3.16Å; A372-K375 PolarHBondContact O-N 3.29Å |
| 373 | L | 62.3 | Low | 60.9 | Low | 124 Ų | 124 | 134 Ų | 134 | 65% | 0.649 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -54.5 | -35.3 | 173.9 | -62.1 | 175.7 | 0 | 0 | 0 | 111.9 | K375 H376 T377 | L373-K375 PolarHBondContact O-N 2.87Å; L373-H376 PolarHBondContact O-N 3.43Å; L373-T377 PolarHBondContact O-OG1 3.24Å |
| 374 | R | 67.7 | Low | 59.8 | Low | 169 Ų | 169 | 138.1 Ų | 138.1 | 64% | 0.638 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -69.9 | -13.1 | -178.4 | -128.9 | 174.5 | -61.8 | -153.5 | -0.8 | 114.5 | P370 S371 A372 | P370-R374 PolarHBondContact O-NE 3.06Å; P370-R374 VanDerWaalsContact O-NE 3.13Å; P370-R374 PolarHBondContact O-NH2 3.07Å; S371-R374 WeakPolarHBondContact O-CB 3.42Å; S371-R374 PolarHBondContact O-N 2.88Å; A372-R374 PolarHBondContact O-N 3.07Å; A372-R374 VanDerWaalsContact O-N 3.16Å |
| 375 | K | 64.6 | Low | 57.9 | Low | 161 Ų | 161 | 131.4 Ų | 131.4 | 70% | 0.7 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -85.1 | -33.1 | 178.5 | -69 | -170.3 | 176.9 | -173.8 | 0 | 113.2 | A372 L373 | A372-K375 PolarHBondContact O-N 3.29Å; L373-K375 PolarHBondContact O-N 2.87Å |
| 376 | H | 54 | Low | 55.8 | Low | 154 Ų | 154 | 131 Ų | 131 | 71% | 0.713 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -74.8 | -34.2 | 179.9 | -89.6 | -81.3 | 0 | 0 | 0 | 113.5 | L373 R378 L379 | L373-H376 PolarHBondContact O-N 3.43Å; H376-R378 PolarHBondContact O-N 3.38Å; H376-R378 VanDerWaalsContact O-N 3.08Å; H376-L379 PolarHBondContact O-N 2.87Å |
| 377 | T | 51.6 | Low | 54 | Low | 113 Ų | 113 | 132.3 Ų | 132.3 | 69% | 0.693 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -17.8 | 179 | -37.3 | 0 | 0 | 0 | 0 | 113.6 | L373 | L373-T377 PolarHBondContact O-OG1 3.24Š|
| 378 | R | 48.8 | Very low | 52.3 | Low | 215 Ų | 215 | 133.4 Ų | 133.4 | 81% | 0.811 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 1.7 | -178.5 | -70.5 | -167.1 | 173.1 | -148 | -2.6 | 115.1 | H376 | H376-R378 PolarHBondContact O-N 3.38Å; H376-R378 VanDerWaalsContact O-N 3.08Å |
| 379 | L | 51.6 | Low | 50.1 | Low | 145 Ų | 145 | 135.3 Ų | 135.3 | 76% | 0.759 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -105.5 | 10 | 179.1 | -62.6 | 178.2 | 0 | 0 | 0 | 113.5 | H376 | H376-L379 PolarHBondContact O-N 2.87Š|
| 380 | A | 47.5 | Very low | 48.6 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 81% | 0.81 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -96.4 | 10.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 381 | G | 43 | Very low | 47.3 | Very low | 58 Ų | 58 | 142.5 Ų | 142.5 | 60% | 0.598 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -155.4 | 138.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 382 | E | 37 | Very low | 46.3 | Very low | 190 Ų | 190 | 148.9 Ų | 148.9 | 89% | 0.888 | 73% | 0.73 | S | S | * | * | | | trans | 56.6 | 103.3 | 170.7 | -68.6 | -166.6 | 107.3 | 0 | 0 | 120.8 | | |
| 383 | E | 41.5 | Very low | 44.9 | Very low | 159 Ų | 159 | 150 Ų | 150 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | | | | 55 | 98.4 | 118.9 | -62.7 | -54.3 | 138.4 | 0 | 0 | 121.1 | | |
| 384 | R | 38.5 | Very low | 44 | Very low | 249 Ų | 249 | 150.5 Ų | 150.5 | 94% | 0.94 | 75% | 0.749 | S | S | * | * | | | | -164.8 | 133.2 | 120.7 | -111.1 | 173 | -101.8 | -147 | -4 | 109.8 | | |
| 385 | G | 30.8 | Very low | 43.1 | Very low | 53 Ų | 53 | 151.6 Ų | 151.6 | 55% | 0.546 | 76% | 0.758 | S | S | . | * | | | cis | 117.2 | 122.9 | 1.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 386 | F | 28.5 | Very low | 42.8 | Very low | 200 Ų | 200 | 152.2 Ų | 152.2 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | | | trans | 68.3 | 138.7 | -167.7 | -94.1 | -125.6 | 0 | 0 | 0 | 114.7 | | |
| 387 | K | 37.6 | Very low | 42.9 | Very low | 159 Ų | 159 | 151.2 Ų | 151.2 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | | | cis | -151.6 | 159.6 | 2.4 | -163.1 | -170.5 | 175.7 | -154.4 | 0 | 110.4 | | |
| 388 | E | 37.5 | Very low | 43.2 | Very low | 173 Ų | 173 | 156.8 Ų | 156.8 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | | | trans | 74.3 | 130 | 176.6 | -130 | 127.2 | -106.5 | 0 | 0 | 112.7 | | |
| 389 | E | 33.1 | Very low | 43.5 | Very low | 141 Ų | 141 | 149 Ų | 149 | 66% | 0.659 | 75% | 0.746 | S | S | * | * | | | cis | -133.6 | 147.6 | 15.8 | -177.7 | -177.2 | 179.4 | 0 | 0 | 111.4 | Q391 | E389-Q391 HydrophobicContact CG-CG 4.28Å; E389-Q391 WeakPolarHBondContact OE1-CG 3.42Å; E389-Q391 PolarHBondContact OE1-NE2 3.33Å |
| 390 | I | 42.8 | Very low | 44.2 | Very low | 157 Ų | 157 | 147.3 Ų | 147.3 | 81% | 0.805 | 74% | 0.738 | S | S | * | * | | | trans | -107.2 | 100.4 | 170.3 | -58.1 | 177.4 | 0 | 0 | 0 | 109.5 | | |
| 391 | Q | 41.3 | Very low | 45.2 | Very low | 161 Ų | 161 | 147.6 Ų | 147.6 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | | | trans | -110 | 139.3 | 156 | -64.1 | -155.3 | 34.8 | 0 | 0 | 110.5 | E389 | E389-Q391 HydrophobicContact CG-CG 4.28Å; E389-Q391 WeakPolarHBondContact OE1-CG 3.42Å; E389-Q391 PolarHBondContact OE1-NE2 3.33Å |
| 392 | K | 43.5 | Very low | 46.8 | Very low | 204 Ų | 204 | 148.7 Ų | 148.7 | 89% | 0.887 | 74% | 0.737 | S | S | * | * | | | trans | -98.1 | 148.2 | -176.1 | -64 | 179.7 | 179.8 | 178.7 | 0 | 110.4 | | |
| 393 | G | 40.6 | Very low | 49.1 | Very low | 66 Ų | 66 | 142 Ų | 142 | 68% | 0.68 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 136.8 | 123.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K395 | G393-K395 PolarHBondContact O-N 2.83Å; G393-K395 VanDerWaalsContact O-N 3.1Å |
| 394 | D | 42.9 | Very low | 51.4 | Low | 136 Ų | 136 | 140.2 Ų | 140.2 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | | | trans | 32.8 | 64 | 160.9 | -75 | 27.9 | 0 | 0 | 0 | 117.2 | K396 | D394-K396 PolarHBondContact O-N 2.96Š|
| 395 | K | 47.8 | Very low | 53.9 | Low | 192 Ų | 192 | 137.9 Ų | 137.9 | 84% | 0.835 | 69% | 0.694 | S | S | * | * | | | trans | -65.9 | 67.9 | 145.7 | -71 | -172.7 | -179.2 | -179.2 | 0 | 109.5 | G393 L397 | G393-K395 PolarHBondContact O-N 2.83Å; G393-K395 VanDerWaalsContact O-N 3.1Å; K395-L397 PolarHBondContact O-N 3.17Å |
| 396 | K | 59.9 | Low | 56.5 | Low | 173 Ų | 173 | 139.4 Ų | 139.4 | 75% | 0.752 | 69% | 0.687 | S | S | * | * | | | trans | -60.8 | 90.2 | 144.2 | -69.9 | -178.4 | -175.1 | 173.8 | 0 | 104.5 | D394 R398 | D394-K396 PolarHBondContact O-N 2.96Å; K396-R398 PolarHBondContact O-N 2.84Å; K396-R398 VanDerWaalsContact O-N 3.08Å |
| 397 | L | 56.2 | Low | 59.4 | Low | 133 Ų | 133 | 132.2 Ų | 132.2 | 70% | 0.696 | 66% | 0.657 | S | S | * | * | | | trans | -45.2 | 123.6 | 173.2 | -68.2 | 173.5 | 0 | 0 | 0 | 106 | K395 C399 | K395-L397 PolarHBondContact O-N 3.17Å; L397-C399 PolarHBondContact O-N 3.3Å |
| 398 | R | 56.9 | Low | 61.9 | Low | 231 Ų | 231 | 128.5 Ų | 128.5 | 87% | 0.872 | 64% | 0.644 | S | S | * | * | | | trans | -62.6 | 94.5 | 177.6 | -110.7 | -73.5 | -173.3 | 173.3 | 1.8 | 105.5 | K396 D400 | K396-R398 PolarHBondContact O-N 2.84Å; K396-R398 VanDerWaalsContact O-N 3.08Å; R398-D400 PolarHBondContact O-N 2.92Å |
| 399 | C | 55.7 | Low | 64.2 | Low | 50 Ų | 50 | 124 Ų | 124 | 34% | 0.338 | 63% | 0.625 | S | S | . | * | | | trans | -54.3 | 114.4 | 170.6 | -63.1 | 0 | 0 | 0 | 0 | 105.1 | L397 S401 | L397-C399 PolarHBondContact O-N 3.3Å; C399-S401 PolarHBondContact O-N 3.2Å |
| 400 | D | 66.3 | Low | 66.9 | Low | 110 Ų | 110 | 123.7 Ų | 123.7 | 59% | 0.588 | 62% | 0.618 | S | S | * | * | | | trans | -53.8 | 129.2 | 170.5 | -174.6 | -9.4 | 0 | 0 | 0 | 106.3 | R398 A402 D403 | R398-D400 PolarHBondContact O-N 2.92Å; D400-A402 PolarHBondContact O-N 2.79Å; D400-A402 PolarHBondContact OD1-N 3.1Å; D400-D403 HydrophobicContact CB-CB 4.12Å; D400-D403 PolarHBondContact O-N 2.85Å |
| 401 | S | 68.6 | Low | 68.8 | Low | 104 Ų | 104 | 123.1 Ų | 123.1 | 73% | 0.727 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -4.7 | -178.5 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | C399 | C399-S401 PolarHBondContact O-N 3.2Š|
| 402 | A | 76.7 | Confident | 70.9 | Confident | 81 Ų | 81 | 122.9 Ų | 122.9 | 67% | 0.669 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -1.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D400 L404 | D400-A402 PolarHBondContact O-N 2.79Å; D400-A402 PolarHBondContact OD1-N 3.1Å; A402-L404 PolarHBondContact O-N 3.04Å |
| 403 | D | 85.4 | Confident | 72.7 | Confident | 50 Ų | 50 | 120 Ų | 120 | 27% | 0.267 | 59% | 0.586 | S | S | . | * | | | trans | -73.5 | 96.2 | 177.7 | 178.4 | 28.8 | 0 | 0 | 0 | 112 | D400 R405 H406 D407 | D400-D403 HydrophobicContact CB-CB 4.12Å; D400-D403 PolarHBondContact O-N 2.85Å; D403-R405 PolarHBondContact O-N 2.78Å; D403-R405 WeakPolarHBondContact OD1-CB 3.38Å; D403-R405 PolarHBondContact OD1-N 3.25Å; D403-H406 HydrophobicContact CB-CB 4.47Å; D403-H406 PolarHBondContact O-N 3.03Å; D403-H406 WeakPolarHBondContact OD2-CB 2.94Å; D403-H406 IonicContact OD2-CD2 3.03Å; D403-H406 PolarHBondContact OD2-CD2 3.49Å; D403-H406 IonicContact OD2-CG 3.33Å; D403-H406 PolarHBondContact OD2-N 2.84Å; D403-H406 VanDerWaalsContact OD2-N 3.16Å; D403-D407 PolarHBondContact O-N 2.85Å |
| 404 | L | 89.2 | Confident | 74.1 | Confident | 121 Ų | 121 | 122.7 Ų | 122.7 | 63% | 0.634 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -60 | -23.5 | 177 | -171.7 | 61 | 0 | 0 | 0 | 113.2 | A402 I408 | A402-L404 PolarHBondContact O-N 3.04Å; L404-I408 HydrophobicContact CD1-CD1 4.29Å; L404-I408 HydrophobicContact CD1-CG1 4.19Å; L404-I408 HydrophobicContact CD2-CD1 4.5Å; L404-I408 HydrophobicContact CG-CD1 3.87Å; L404-I408 HydrophobicContact CG-CG1 4.25Å; L404-I408 VanDerWaalsContact O-CB 3.29Å; L404-I408 WeakPolarHBondContact O-CB 3.43Å; L404-I408 WeakPolarHBondContact O-CD1 3.38Å; L404-I408 WeakPolarHBondContact O-CG1 3.23Å; L404-I408 PolarHBondContact O-N 2.92Å |
| 405 | R | 90.8 | Very high | 75.4 | Confident | 201 Ų | 201 | 124.3 Ų | 124.3 | 76% | 0.758 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.4 | -55.2 | 172.1 | -86.6 | 179.4 | 164.6 | 165.7 | -4 | 110.6 | D403 D407 I408 D409 | D403-R405 PolarHBondContact O-N 2.78Å; D403-R405 WeakPolarHBondContact OD1-CB 3.38Å; D403-R405 PolarHBondContact OD1-N 3.25Å; R405-D407 PolarHBondContact O-N 3.24Å; R405-I408 PolarHBondContact O-N 3.5Å; R405-D409 PolarHBondContact O-N 3.21Å |
| 406 | H | 86.3 | Confident | 75.9 | Confident | 85 Ų | 85 | 119 Ų | 119 | 39% | 0.394 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.2 | -35.5 | 176.6 | -83 | -44 | 0 | 0 | 0 | 112.6 | D403 D409 R410 | D403-H406 HydrophobicContact CB-CB 4.47Å; D403-H406 PolarHBondContact O-N 3.03Å; D403-H406 WeakPolarHBondContact OD2-CB 2.94Å; D403-H406 IonicContact OD2-CD2 3.03Å; D403-H406 PolarHBondContact OD2-CD2 3.49Å; D403-H406 IonicContact OD2-CG 3.33Å; D403-H406 PolarHBondContact OD2-N 2.84Å; D403-H406 VanDerWaalsContact OD2-N 3.16Å; H406-D409 PolarHBondContact O-N 3.45Å; H406-R410 VanDerWaalsContact O-CB 3.28Å; H406-R410 WeakPolarHBondContact O-CB 3.31Å; H406-R410 PolarHBondContact O-N 2.97Å |
| 407 | D | 87.5 | Confident | 75.9 | Confident | 48 Ų | 48 | 117.4 Ų | 117.4 | 26% | 0.257 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -75.5 | -33.1 | 178.3 | -110.6 | 35.1 | 0 | 0 | 0 | 114.4 | D403 R405 R410 R411 | D403-D407 PolarHBondContact O-N 2.85Å; R405-D407 PolarHBondContact O-N 3.24Å; D407-R410 IonicContact OD1-CZ 3.15Å; D407-R410 IonicContact OD1-NE 2.77Å; D407-R410 PolarHBondContact OD1-NE 2.84Å; D407-R410 IonicContact OD1-NH2 2.69Å; D407-R410 PolarHBondContact OD1-NH2 3.19Å; D407-R411 VanDerWaalsContact O-CB 3.27Å; D407-R411 WeakPolarHBondContact O-CB 3.24Å; D407-R411 PolarHBondContact O-N 2.68Å |
| 408 | I | 90.1 | Very high | 75.7 | Confident | 81 Ų | 81 | 118.2 Ų | 118.2 | 42% | 0.415 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63 | -44.7 | 167.8 | -74.7 | 167.4 | 0 | 0 | 0 | 110 | L404 R405 R411 R412 | L404-I408 HydrophobicContact CD1-CD1 4.29Å; L404-I408 HydrophobicContact CD1-CG1 4.19Å; L404-I408 HydrophobicContact CD2-CD1 4.5Å; L404-I408 HydrophobicContact CG-CD1 3.87Å; L404-I408 HydrophobicContact CG-CG1 4.25Å; L404-I408 VanDerWaalsContact O-CB 3.29Å; L404-I408 WeakPolarHBondContact O-CB 3.43Å; L404-I408 WeakPolarHBondContact O-CD1 3.38Å; L404-I408 WeakPolarHBondContact O-CG1 3.23Å; L404-I408 PolarHBondContact O-N 2.92Å; R405-I408 PolarHBondContact O-N 3.5Å; I408-R411 PolarHBondContact O-N 3.15Å; I408-R412 WeakPolarHBondContact O-CB 3.3Å; I408-R412 PolarHBondContact O-N 3.27Å |
| 409 | D | 87.5 | Confident | 75.6 | Confident | 78 Ų | 78 | 117.9 Ų | 117.9 | 42% | 0.417 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.6 | -37.4 | 178 | -85.4 | -34.1 | 0 | 0 | 0 | 112.9 | R405 H406 R412 K413 | R405-D409 PolarHBondContact O-N 3.21Å; H406-D409 PolarHBondContact O-N 3.45Å; D409-R412 PolarHBondContact O-N 2.84Å; D409-R412 IonicContact OD1-CZ 2.72Å; D409-R412 IonicContact OD1-NE 2.78Å; D409-R412 IonicContact OD1-NH1 3.7Å; D409-R412 PolarHBondContact OD1-NH1 3.38Å; D409-K413 VanDerWaalsContact O-CB 3.24Å; D409-K413 WeakPolarHBondContact O-CB 3.45Å; D409-K413 PolarHBondContact O-N 3.44Å |
| 410 | R | 88.5 | Confident | 75.5 | Confident | 136 Ų | 136 | 118.1 Ų | 118.1 | 51% | 0.513 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -57.6 | -54.1 | 172.6 | -165.8 | -162.2 | -46 | -92.6 | 2.5 | 110.2 | H406 D407 R412 K413 E414 | H406-R410 VanDerWaalsContact O-CB 3.28Å; H406-R410 WeakPolarHBondContact O-CB 3.31Å; H406-R410 PolarHBondContact O-N 2.97Å; D407-R410 IonicContact OD1-CZ 3.15Å; D407-R410 IonicContact OD1-NE 2.77Å; D407-R410 PolarHBondContact OD1-NE 2.84Å; D407-R410 IonicContact OD1-NH2 2.69Å; D407-R410 PolarHBondContact OD1-NH2 3.19Å; R410-R412 VanDerWaalsContact C-N 3.35Å; R410-R412 PolarHBondContact O-N 2.89Å; R410-K413 PolarHBondContact O-N 3.04Å; R410-E414 WeakPolarHBondContact O-CB 3.5Å; R410-E414 PolarHBondContact O-N 3.03Å |
| 411 | R | 83.5 | Confident | 74.5 | Confident | 144 Ų | 144 | 119.7 Ų | 119.7 | 54% | 0.543 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.6 | -33.1 | -178.9 | -163.2 | -178.2 | -56 | -122.7 | -0.6 | 112.8 | D407 I408 R415 | D407-R411 VanDerWaalsContact O-CB 3.27Å; D407-R411 WeakPolarHBondContact O-CB 3.24Å; D407-R411 PolarHBondContact O-N 2.68Å; I408-R411 PolarHBondContact O-N 3.15Å; R411-R415 WeakPolarHBondContact O-CB 3.39Å; R411-R415 VanDerWaalsContact O-CG 3.32Å; R411-R415 WeakPolarHBondContact O-CG 3.46Å; R411-R415 PolarHBondContact O-N 3.2Å |
| 412 | R | 85.5 | Confident | 73.4 | Confident | 156 Ų | 156 | 119.7 Ų | 119.7 | 59% | 0.589 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.7 | -44.6 | 171.8 | -177.9 | -172.7 | -64.5 | 161.6 | -6.2 | 111.1 | I408 D409 R410 S416 | I408-R412 WeakPolarHBondContact O-CB 3.3Å; I408-R412 PolarHBondContact O-N 3.27Å; D409-R412 PolarHBondContact O-N 2.84Å; D409-R412 IonicContact OD1-CZ 2.72Å; D409-R412 IonicContact OD1-NE 2.78Å; D409-R412 IonicContact OD1-NH1 3.7Å; D409-R412 PolarHBondContact OD1-NH1 3.38Å; R410-R412 VanDerWaalsContact C-N 3.35Å; R410-R412 PolarHBondContact O-N 2.89Å; R412-S416 WeakPolarHBondContact O-CB 3.27Å; R412-S416 PolarHBondContact O-N 3.23Å; R412-S416 VanDerWaalsContact O-N 3.1Å |
| 413 | K | 81.6 | Confident | 71.9 | Confident | 144 Ų | 144 | 123.9 Ų | 123.9 | 63% | 0.626 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -70.4 | -37.5 | 180 | -164.7 | 166.6 | -173.4 | 170.1 | 0 | 112.1 | D409 R410 S416 K417 | D409-K413 VanDerWaalsContact O-CB 3.24Å; D409-K413 WeakPolarHBondContact O-CB 3.45Å; D409-K413 PolarHBondContact O-N 3.44Å; R410-K413 PolarHBondContact O-N 3.04Å; K413-S416 WeakPolarHBondContact CA-OG 3.3Å; K413-S416 PolarHBondContact O-N 3.21Å; K413-S416 PolarHBondContact O-OG 3.07Å; K413-K417 PolarHBondContact O-N 3.41Å |
| 414 | E | 70.3 | Confident | 69.5 | Low | 123 Ų | 123 | 123.8 Ų | 123.8 | 58% | 0.575 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.4 | -54.4 | 172.2 | -176.9 | 172.7 | -135 | 0 | 0 | 111.9 | R410 S416 K417 E418 | R410-E414 WeakPolarHBondContact O-CB 3.5Å; R410-E414 PolarHBondContact O-N 3.03Å; E414-S416 PolarHBondContact O-N 2.78Å; E414-S416 VanDerWaalsContact O-N 3.1Å; E414-K417 WeakPolarHBondContact O-CB 3.41Å; E414-K417 PolarHBondContact O-N 2.8Å; E414-E418 PolarHBondContact O-N 3.31Å; E414-E418 VanDerWaalsContact O-N 3.17Å |
| 415 | R | 68.8 | Low | 67.3 | Low | 169 Ų | 169 | 119.9 Ų | 119.9 | 64% | 0.638 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.3 | -18.3 | 175.2 | -72.5 | 177.7 | 172.4 | -146.1 | -7.6 | 114.4 | R411 | R411-R415 WeakPolarHBondContact O-CB 3.39Å; R411-R415 VanDerWaalsContact O-CG 3.32Å; R411-R415 WeakPolarHBondContact O-CG 3.46Å; R411-R415 PolarHBondContact O-N 3.2Å |
| 416 | S | 59.1 | Low | 65.1 | Low | 81 Ų | 81 | 118.6 Ų | 118.6 | 57% | 0.566 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -82.5 | -18.8 | 172.1 | 75.1 | 0 | 0 | 0 | 0 | 113.9 | R412 K413 E414 | R412-S416 WeakPolarHBondContact O-CB 3.27Å; R412-S416 PolarHBondContact O-N 3.23Å; R412-S416 VanDerWaalsContact O-N 3.1Å; K413-S416 WeakPolarHBondContact CA-OG 3.3Å; K413-S416 PolarHBondContact O-N 3.21Å; K413-S416 PolarHBondContact O-OG 3.07Å; E414-S416 PolarHBondContact O-N 2.78Å; E414-S416 VanDerWaalsContact O-N 3.1Å |
| 417 | K | 60 | Low | 62.7 | Low | 140 Ų | 140 | 121.6 Ų | 121.6 | 61% | 0.609 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -87 | -41.1 | 174 | -72 | -176 | 165.6 | -156.4 | 0 | 112.6 | K413 E414 R419 G420 | K413-K417 PolarHBondContact O-N 3.41Å; E414-K417 WeakPolarHBondContact O-CB 3.41Å; E414-K417 PolarHBondContact O-N 2.8Å; K417-R419 PolarHBondContact O-N 3.01Å; K417-G420 PolarHBondContact O-N 2.88Å |
| 418 | E | 50.8 | Low | 60.4 | Low | 150 Ų | 150 | 124.1 Ų | 124.1 | 70% | 0.701 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.6 | -19 | 179.7 | -163.4 | -166.2 | 160.6 | 0 | 0 | 114.3 | E414 | E414-E418 PolarHBondContact O-N 3.31Å; E414-E418 VanDerWaalsContact O-N 3.17Å |
| 419 | R | 55.8 | Low | 57.9 | Low | 224 Ų | 224 | 125.8 Ų | 125.8 | 85% | 0.845 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | 11.9 | -179.1 | -62.8 | -173.7 | 173.7 | -166.9 | -3.8 | 114.6 | K417 | K417-R419 PolarHBondContact O-N 3.01Š|
| 420 | G | 52.5 | Low | 55.2 | Low | 54 Ų | 54 | 126 Ų | 126 | 56% | 0.557 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -47.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K417 S422 | K417-G420 PolarHBondContact O-N 2.88Å; G420-S422 PolarHBondContact O-N 3.41Å |
| 421 | D | 46.3 | Very low | 52.6 | Low | 143 Ų | 143 | 124.4 Ų | 124.4 | 77% | 0.765 | 65% | 0.651 | S | S | * | * | | | trans | -101.3 | 87.4 | -156.5 | -58.6 | -37.8 | 0 | 0 | 0 | 112.7 | | |
| 422 | S | 45.3 | Very low | 50.2 | Low | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | | | trans | -177.3 | 105.2 | 159.8 | 26.1 | 0 | 0 | 0 | 0 | 114.2 | G420 | G420-S422 PolarHBondContact O-N 3.41Š|
| 423 | K | 44.3 | Very low | 47.7 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 74% | 0.739 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -174 | 78.3 | 138.6 | -108.3 | 173 | -179.1 | 178.5 | 0 | 118.8 | D83 | D83-K423 WeakPolarHBondContact OD1-CA 3.49Å; D83-K423 PolarHBondContact OD1-N 3.01Å |
| 424 | G | 34.9 | Very low | 45.4 | Very low | 47 Ų | 47 | 129.7 Ų | 129.7 | 49% | 0.485 | 68% | 0.679 | S | S | . | * | | | trans | 101.1 | 105 | 137.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | A82 D83 | A82-G424 WeakPolarHBondContact CB-O 3.4Å; D83-G424 VanDerWaalsContact CB-C 3.41Å; D83-G424 PolarHBondContact OD1-N 2.96Å |
| 425 | S | 44.7 | Very low | 43.5 | Very low | 39 Ų | 39 | 129.8 Ų | 129.8 | 27% | 0.273 | 68% | 0.679 | S | S | . | * | | | trans | -59.7 | 140.1 | -166.2 | -176 | 0 | 0 | 0 | 0 | 117.6 | D83 G84 | D83-S425 VanDerWaalsContact C-CA 3.49Å; D83-S425 WeakPolarHBondContact O-CA 3.19Å; G84-S425 VanDerWaalsContact C-CB 3.4Å; G84-S425 PolarHBondContact N-OG 3.43Å; G84-S425 WeakPolarHBondContact O-CB 3.41Å; G84-S425 PolarHBondContact O-OG 2.73Å |
| 426 | R | 44.6 | Very low | 41.9 | Very low | 175 Ų | 175 | 128.8 Ų | 128.8 | 66% | 0.66 | 68% | 0.68 | S | S | * | * | | | trans | -163.5 | 112.1 | 156.3 | -155.9 | 148.2 | -170.5 | 127.1 | 17 | 118.3 | D83 | D83-R426 PolarHBondContact O-N 3.34Š|
| 427 | E | 35 | Very low | 40.8 | Very low | 148 Ų | 148 | 131.3 Ų | 131.3 | 69% | 0.692 | 69% | 0.692 | S | S | * | * | | | trans | 58.4 | 154.5 | 145.2 | -66.2 | 158.8 | 179.6 | 0 | 0 | 121.1 | | |
| 428 | S | 39.8 | Very low | 40.5 | Very low | 101 Ų | 101 | 130 Ų | 130 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | | | cis | -170.7 | 154 | -37.5 | -166 | 0 | 0 | 0 | 0 | 109.8 | | |
| 429 | S | 37.8 | Very low | 39.8 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | | | trans | 32.3 | 120.3 | 155.7 | 60 | 0 | 0 | 0 | 0 | 122.1 | | |
| 430 | G | 29.7 | Very low | 38.7 | Very low | 84 Ų | 84 | 127.1 Ų | 127.1 | 87% | 0.866 | 70% | 0.695 | S | S | * | * | | | trans | -147.5 | 69.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 431 | S | 34.1 | Very low | 37.6 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | | | trans | -71.3 | 145.4 | -168.7 | 65.5 | 0 | 0 | 0 | 0 | 115.9 | | |
| 432 | R | 32.6 | Very low | 37.2 | Very low | 219 Ų | 219 | 134.9 Ų | 134.9 | 83% | 0.826 | 70% | 0.702 | S | S | * | * | | | | 170.8 | 128.1 | 119.1 | -94.3 | 160.9 | -178.9 | -170 | 1.4 | 114.5 | | |
| 433 | K | 34.2 | Very low | 36.8 | Very low | 180 Ų | 180 | 137.4 Ų | 137.4 | 78% | 0.783 | 70% | 0.703 | S | S | * | * | | | trans | 63.1 | 146 | 146.2 | -61.3 | -174 | 178.5 | -169.5 | 0 | 118.7 | | |
| 434 | Q | 33.3 | Very low | 36.3 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 72% | 0.724 | 70% | 0.704 | S | S | * | * | | | cis | -151.3 | 173.6 | -17.4 | -128.7 | -171.3 | -51 | 0 | 0 | 111.6 | | |
| 435 | E | 30.4 | Very low | 36.4 | Very low | 125 Ų | 125 | 145.8 Ų | 145.8 | 58% | 0.584 | 72% | 0.722 | S | S | * | * | | | trans | -55.9 | 174.7 | 178.8 | -50.9 | 172.6 | 86.7 | 0 | 0 | 117.9 | | |
| 436 | K | 35.4 | Very low | 36.6 | Very low | 149 Ų | 149 | 148.7 Ų | 148.7 | 65% | 0.648 | 74% | 0.74 | S | S | * | * | | | trans | 87.6 | 90.9 | 140.5 | -83.4 | 155.5 | -175.8 | 150.2 | 0 | 120.4 | | |
| 437 | T | 35.4 | Very low | 35.9 | Very low | 134 Ų | 134 | 149.9 Ų | 149.9 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | | | | 72.6 | 152.6 | 125.5 | 48.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 438 | P | 54.2 | Low | 35.8 | Very low | 112 Ų | 112 | 150.1 Ų | 150.1 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | trans | -106 | 154.6 | -170 | 39.4 | -32.4 | 0 | 0 | 0 | 114.1 | | |
| 439 | K | 35.3 | Very low | 35.4 | Very low | 184 Ų | 184 | 152 Ų | 152 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | | | | 174.4 | 164.5 | 125.5 | -104 | -179.6 | 178.9 | -174.9 | 0 | 115.5 | | |
| 440 | D | 32.3 | Very low | 35.5 | Very low | 129 Ų | 129 | 152.8 Ų | 152.8 | 69% | 0.69 | 74% | 0.742 | S | S | * | * | | | trans | 68.6 | 99.8 | 147.7 | -59.5 | -13.8 | 0 | 0 | 0 | 122.8 | | |
| 441 | Y | 29.9 | Very low | 36 | Very low | 203 Ų | 203 | 152 Ų | 152 | 80% | 0.796 | 72% | 0.723 | S | S | * | * | | | | 80.7 | 134.3 | 109.3 | -136.6 | -120.7 | 0 | 0 | 0 | 120.7 | | |
| 442 | K | 37.1 | Very low | 36.3 | Very low | 157 Ų | 157 | 155.5 Ų | 155.5 | 68% | 0.683 | 73% | 0.725 | S | S | * | * | | | trans | 68.3 | 157.1 | 173 | -68.9 | 157.1 | 162.6 | -101.4 | 0 | 115.8 | | |
| 443 | E | 38.4 | Very low | 36.5 | Very low | 158 Ų | 158 | 153.3 Ų | 153.3 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | | | cis | -135.5 | -176.7 | 2.5 | -148.4 | 129.5 | -118.3 | 0 | 0 | 113.5 | | |
| 444 | Y | 33.2 | Very low | 36.6 | Very low | 196 Ų | 196 | 154.6 Ų | 154.6 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | | | trans | -97.9 | 146.1 | -165.4 | -160.2 | -99 | 0 | 0 | 0 | 112 | | |
| 445 | K | 36.2 | Very low | 36.6 | Very low | 196 Ų | 196 | 150.4 Ų | 150.4 | 85% | 0.852 | 73% | 0.729 | S | S | * | * | | | trans | 173 | 116.7 | 138.3 | -87 | -104.8 | 179.2 | 174.5 | 0 | 112.6 | | |
| 446 | P | 48.9 | Very low | 36.9 | Very low | 100 Ų | 100 | 156.9 Ų | 156.9 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | | | trans | -88.8 | 156.2 | 161.1 | 35.3 | -32.2 | 0 | 0 | 0 | 111.3 | | |
| 447 | Y | 31.8 | Very low | 36.9 | Very low | 201 Ų | 201 | 156.7 Ų | 156.7 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | | | trans | -146.7 | 118.3 | 168.8 | -157 | -107.2 | 0 | 0 | 0 | 114.5 | | |
| 448 | K | 31.4 | Very low | 37 | Very low | 152 Ų | 152 | 158.5 Ų | 158.5 | 66% | 0.661 | 74% | 0.741 | S | S | * | * | | | trans | 48.2 | 99.5 | 154 | -70.4 | -149.9 | 172.9 | -158.5 | 0 | 121.8 | | |
| 449 | D | 32.7 | Very low | 35.9 | Very low | 141 Ų | 141 | 158.1 Ų | 158.1 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | | | | -23 | 135.3 | 113.1 | 170.6 | 46.4 | 0 | 0 | 0 | 116 | | |
| 450 | D | 39.4 | Very low | 35.7 | Very low | 132 Ų | 132 | 156.8 Ų | 156.8 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | | | trans | -146.6 | 157.9 | 140.6 | -148.7 | -37.1 | 0 | 0 | 0 | 109.5 | K452 | D450-K452 IonicContact OD1-NZ 3.66Š|
| 451 | S | 40.8 | Very low | 35.7 | Very low | 68 Ų | 68 | 155.3 Ų | 155.3 | 48% | 0.476 | 73% | 0.729 | S | S | . | * | | | trans | -124.9 | 149 | -160.3 | 169.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 452 | K | 39.9 | Very low | 35.9 | Very low | 174 Ų | 174 | 157 Ų | 157 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | | | | -179.8 | 149.3 | 123.7 | -92.5 | 152.6 | -146.3 | 85.5 | 0 | 114.7 | D450 | D450-K452 IonicContact OD1-NZ 3.66Š|
| 453 | H | 35.4 | Very low | 35.6 | Very low | 173 Ų | 173 | 154.1 Ų | 154.1 | 80% | 0.801 | 73% | 0.733 | S | S | * | * | | | trans | -62.4 | 154.4 | 169.5 | -47.2 | -102.1 | 0 | 0 | 0 | 112.4 | | |
| 454 | K | 37.3 | Very low | 35.1 | Very low | 207 Ų | 207 | 152.3 Ų | 152.3 | 90% | 0.9 | 74% | 0.738 | S | S | * | * | | | | -160.6 | 157.4 | 94.1 | -59.1 | -151.8 | -178.3 | -178.7 | 0 | 108.5 | | |
| 455 | G | 32.8 | Very low | 34.8 | Very low | 68 Ų | 68 | 148.5 Ų | 148.5 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | | | cis | 111.5 | 85.5 | 1.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 456 | R | 37.7 | Very low | 34.4 | Very low | 261 Ų | 261 | 144.5 Ų | 144.5 | 99% | 0.985 | 74% | 0.737 | S | S | * | * | | | trans | -156.3 | 158.1 | 162.2 | -110.7 | 166.5 | -170.6 | 176.7 | 1.4 | 110.8 | | |
| 457 | E | 34.3 | Very low | 33.5 | Very low | 145 Ų | 145 | 144.8 Ų | 144.8 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | | | trans | -136.6 | 178.1 | -161.2 | -162.6 | -157.5 | 174.5 | 0 | 0 | 108.2 | | |
| 458 | R | 37.8 | Very low | 33.3 | Very low | 172 Ų | 172 | 140 Ų | 140 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | | | trans | 83.2 | 106.8 | 152.6 | -67.6 | -176.1 | -177.9 | -82.6 | -17.7 | 121.8 | | |
| 459 | D | 30.6 | Very low | 33.2 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 56% | 0.556 | 75% | 0.749 | S | S | * | * | | | | 111.3 | 112.7 | 101.1 | -70.7 | -14.9 | 0 | 0 | 0 | 121.8 | | |
| 460 | H | 31.3 | Very low | 33.5 | Very low | 156 Ų | 156 | 137 Ų | 137 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | | | | 71.3 | 93.7 | 124.1 | -70.3 | 66.5 | 0 | 0 | 0 | 122.7 | | |
| 461 | S | 32.9 | Very low | 32.9 | Very low | 98 Ų | 98 | 136 Ų | 136 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | | | | 76.8 | 158.7 | 114.9 | -53.4 | 0 | 0 | 0 | 0 | 123.3 | | |
| 462 | R | 34.5 | Very low | 32.4 | Very low | 239 Ų | 239 | 138.2 Ų | 138.2 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | | | trans | 86 | 148.5 | 162.6 | -55.6 | 169.7 | -178.8 | 165.8 | 0.5 | 117.7 | | |
| 463 | S | 29.2 | Very low | 32.3 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | | | cis | -173.8 | 158 | -22.3 | -88.2 | 0 | 0 | 0 | 0 | 111 | | |
| 464 | S | 28.7 | Very low | 31.8 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | | | trans | 64 | 161.9 | 152.9 | 33.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 465 | S | 28 | Very low | 31.4 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | | | cis | -155.2 | 177.7 | 2.6 | 31.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 466 | S | 27.5 | Very low | 31.2 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | -69.8 | -173.8 | 175.6 | 55.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 467 | S | 29.5 | Very low | 30.9 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | | | cis | -165.9 | 162.5 | 22 | 56.3 | 0 | 0 | 0 | 0 | 116 | | |
| 468 | A | 27.5 | Very low | 30.7 | Very low | 99 Ų | 99 | 128.9 Ų | 128.9 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | 65.6 | 153.7 | 143.7 | 0 | 0 | 0 | 0 | 0 | 124.6 | | |
| 469 | S | 28.3 | Very low | 30.4 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | | | trans | -109.8 | 171 | 173.4 | -35.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 470 | P | 39.6 | Very low | 30.3 | Very low | 116 Ų | 116 | 132 Ų | 132 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | | | | -159.2 | 177.1 | 75.7 | 41.1 | -19 | 0 | 0 | 0 | 119.2 | | |
| 471 | S | 27 | Very low | 30.1 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | trans | 58.5 | 130.9 | 147.2 | 57.7 | 0 | 0 | 0 | 0 | 123.9 | | |
| 472 | S | 31.1 | Very low | 29.9 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -80.3 | 170.3 | 161.9 | -41.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 473 | P | 36.4 | Very low | 29.8 | Very low | 116 Ų | 116 | 131 Ų | 131 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | | | | -152.7 | 150.5 | 106.6 | 39.6 | -22.9 | 0 | 0 | 0 | 118.5 | | |
| 474 | S | 25.9 | Very low | 29.9 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | 38.5 | 160.6 | 140.4 | 72 | 0 | 0 | 0 | 0 | 125.9 | | |
| 475 | S | 28.5 | Very low | 30.1 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | | | trans | 80.7 | 149.1 | 155.8 | 81.5 | 0 | 0 | 0 | 0 | 118 | | |
| 476 | R | 28.9 | Very low | 30.2 | Very low | 208 Ų | 208 | 134.4 Ų | 134.4 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | | | cis | -170.1 | 133.7 | -15.4 | 158.4 | 176.3 | -170.3 | -161.6 | -3.6 | 112.5 | | |
| 477 | E | 30.8 | Very low | 30.6 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | | | trans | 52.9 | 165.8 | 152.8 | -69.2 | -177.2 | 127.2 | 0 | 0 | 124.6 | | |
| 478 | E | 30 | Very low | 30.9 | Very low | 145 Ų | 145 | 139 Ų | 139 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | | | trans | 78.8 | 102.1 | 157 | -60.4 | -145.4 | 112.5 | 0 | 0 | 124 | | |
| 479 | K | 32.3 | Very low | 31.1 | Very low | 162 Ų | 162 | 141.3 Ų | 141.3 | 70% | 0.704 | 73% | 0.728 | S | S | * | * | | | | 60 | 120.2 | 120.3 | -67 | 176.9 | -174.2 | 152.5 | 0 | 122.5 | | |
| 480 | E | 28.7 | Very low | 31.2 | Very low | 178 Ų | 178 | 144 Ų | 144 | 83% | 0.832 | 73% | 0.725 | S | S | * | * | | | | 23.9 | 120.4 | 122.5 | -54.8 | -179.4 | 120.7 | 0 | 0 | 119.7 | | |
| 481 | S | 26.1 | Very low | 30.8 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | | | | 179.3 | 137.1 | 99.3 | 45 | 0 | 0 | 0 | 0 | 116.4 | | |
| 482 | K | 29.9 | Very low | 31.1 | Very low | 196 Ų | 196 | 146.4 Ų | 146.4 | 85% | 0.852 | 72% | 0.721 | S | S | * | * | | | trans | 47.6 | 138.4 | 140.6 | -66.6 | 177.2 | 178.4 | 172.4 | 0 | 123.1 | | |
| 483 | K | 32.5 | Very low | 31 | Very low | 166 Ų | 166 | 147 Ų | 147 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | | | trans | 73 | 151.2 | 156 | -75.5 | -167.8 | 131 | -145.9 | 0 | 116.4 | | |
| 484 | E | 31.6 | Very low | 30.9 | Very low | 114 Ų | 114 | 148.3 Ų | 148.3 | 53% | 0.533 | 71% | 0.707 | S | S | . | * | | | cis | -145.2 | 143.1 | -1.2 | -119.8 | 176.2 | 139.6 | 0 | 0 | 107.5 | | |
| 485 | R | 31.5 | Very low | 31.1 | Very low | 169 Ų | 169 | 149.7 Ų | 149.7 | 64% | 0.638 | 70% | 0.704 | S | S | * | * | | | | 108.7 | 141.9 | 84 | -170.9 | 169.9 | -158.7 | 115.7 | 18.4 | 112.1 | | |
| 486 | E | 31.4 | Very low | 31.2 | Very low | 122 Ų | 122 | 152.3 Ų | 152.3 | 57% | 0.57 | 70% | 0.701 | S | S | * | * | | | cis | -96.6 | -100 | 1.2 | -166.9 | 81.4 | -93.2 | 0 | 0 | 113.8 | | |
| 487 | E | 35.2 | Very low | 31.4 | Very low | 175 Ų | 175 | 149.1 Ų | 149.1 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | | | cis | -158.1 | 171.4 | -0.6 | -152 | 149 | -62.4 | 0 | 0 | 112.5 | | |
| 488 | E | 35.7 | Very low | 31.3 | Very low | 138 Ų | 138 | 152.8 Ų | 152.8 | 65% | 0.645 | 71% | 0.708 | S | S | * | * | | | trans | -101.5 | 157.9 | -169.4 | -64.3 | -172.4 | 102.3 | 0 | 0 | 112.9 | | |
| 489 | F | 31.7 | Very low | 31.6 | Very low | 149 Ų | 149 | 151 Ų | 151 | 65% | 0.654 | 71% | 0.712 | S | S | * | * | | | cis | -139.7 | 134.7 | 22.3 | -79.8 | -84.7 | 0 | 0 | 0 | 110.7 | | |
| 490 | K | 31.2 | Very low | 31.4 | Very low | 170 Ų | 170 | 147 Ų | 147 | 74% | 0.739 | 72% | 0.717 | S | S | * | * | | | | 75.5 | 126.1 | 93.7 | -147 | 161.6 | -178.3 | 165.8 | 0 | 113.6 | | |
| 491 | T | 31.4 | Very low | 31.8 | Very low | 105 Ų | 105 | 148.9 Ų | 148.9 | 64% | 0.644 | 72% | 0.723 | S | S | * | * | | | cis | -165.1 | 149.2 | 9.5 | 10.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 492 | H | 33.3 | Very low | 32.2 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 80% | 0.796 | 72% | 0.723 | S | S | * | * | | | trans | 70.9 | 151.9 | 146.4 | -81.1 | -134.9 | 0 | 0 | 0 | 120.1 | | |
| 493 | H | 28.4 | Very low | 32.4 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 60% | 0.597 | 71% | 0.714 | S | S | * | * | | | cis | -171.2 | 129 | -8.6 | 158.7 | 94.2 | 0 | 0 | 0 | 112.5 | | |
| 494 | E | 34.9 | Very low | 32.5 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 67% | 0.668 | 72% | 0.719 | S | S | * | * | | | trans | 60.6 | 163.2 | 149.6 | -72.6 | -161.6 | -149.1 | 0 | 0 | 121.8 | | |
| 495 | M | 28.6 | Very low | 32.6 | Very low | 133 Ų | 133 | 140 Ų | 140 | 66% | 0.655 | 73% | 0.728 | S | S | * | * | | | cis | -166 | 170.6 | -24.8 | -109.5 | -92.9 | -163.5 | 0 | 0 | 111.4 | | |
| 496 | K | 30.6 | Very low | 33 | Very low | 169 Ų | 169 | 143 Ų | 143 | 74% | 0.735 | 74% | 0.739 | S | S | * | * | | | trans | 75.4 | 118.2 | 149.3 | -114.2 | 70.2 | 178.1 | -175.6 | 0 | 121 | | |
| 497 | D | 33.9 | Very low | 33.6 | Very low | 140 Ų | 140 | 143.4 Ų | 143.4 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | | | trans | -73.6 | 148.8 | 152.2 | -33.5 | -103.4 | 0 | 0 | 0 | 111.3 | | |
| 498 | Y | 28.8 | Very low | 33.7 | Very low | 224 Ų | 224 | 147 Ų | 147 | 88% | 0.878 | 76% | 0.758 | S | S | * | * | | | | -174.3 | 171.7 | 111.9 | -119.2 | -98.8 | 0 | 0 | 0 | 113.5 | | |
| 499 | S | 34.8 | Very low | 33.7 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | -59.6 | 153.1 | -175.6 | 58.5 | 0 | 0 | 0 | 0 | 117.5 | | |
| 500 | G | 29.9 | Very low | 34.1 | Very low | 78 Ų | 78 | 142.3 Ų | 142.3 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | -173.4 | 98 | 160 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 501 | F | 35.5 | Very low | 34.3 | Very low | 217 Ų | 217 | 142.3 Ų | 142.3 | 95% | 0.952 | 76% | 0.764 | S | S | * | * | | | trans | -92.4 | 114.9 | 170.8 | 172.4 | -91.1 | 0 | 0 | 0 | 110.3 | | |
| 502 | A | 34.7 | Very low | 34.8 | Very low | 95 Ų | 95 | 146 Ų | 146 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | trans | -153.7 | 101.4 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 503 | G | 33.9 | Very low | 35.3 | Very low | 63 Ų | 63 | 145.1 Ų | 145.1 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | | | trans | 58.6 | 124.5 | 130.1 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 504 | V | 36 | Very low | 36.3 | Very low | 138 Ų | 138 | 146.3 Ų | 146.3 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | | | trans | 75.5 | 92 | 133.9 | -167.1 | 0 | 0 | 0 | 0 | 119.8 | | |
| 505 | S | 33.8 | Very low | 36.8 | Very low | 102 Ų | 102 | 149.8 Ų | 149.8 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | | | | 42.5 | 114 | 123 | -49 | 0 | 0 | 0 | 0 | 121.8 | | |
| 506 | R | 38.7 | Very low | 37.1 | Very low | 234 Ų | 234 | 149.2 Ų | 149.2 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | | | | 169.6 | 132 | 115.9 | -94.6 | 165.8 | -177.8 | -151.3 | 0.1 | 113.6 | | |
| 507 | P | 43.5 | Very low | 37.6 | Very low | 129 Ų | 129 | 149.2 Ų | 149.2 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | | | trans | -96.8 | 141.3 | 156.8 | 34.6 | -29.1 | 0 | 0 | 0 | 112.4 | | |
| 508 | R | 38.1 | Very low | 37.6 | Very low | 251 Ų | 251 | 145.8 Ų | 145.8 | 95% | 0.947 | 80% | 0.798 | S | S | * | * | | | trans | -127.9 | 141.3 | 156.1 | -82.8 | 178.8 | 163.1 | 178.1 | -6.7 | 105.9 | | |
| 509 | G | 36.3 | Very low | 38.2 | Very low | 60 Ų | 60 | 141.2 Ų | 141.2 | 62% | 0.619 | 79% | 0.793 | S | S | * | * | | | cis | 159.6 | 159.5 | -4.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 510 | T | 40.2 | Very low | 38.7 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | 61.2 | 145 | 176.4 | 56.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 511 | F | 35.4 | Very low | 39.4 | Very low | 169 Ų | 169 | 150 Ų | 150 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | | | cis | -130.6 | 149 | 21.6 | -86.4 | -104.1 | 0 | 0 | 0 | 113.1 | | |
| 512 | H | 40.6 | Very low | 39.8 | Very low | 182 Ų | 182 | 150.6 Ų | 150.6 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | -115.8 | 139.5 | 147.4 | -79.8 | -84.9 | 0 | 0 | 0 | 106.1 | | |
| 513 | D | 43.8 | Very low | 40.3 | Very low | 154 Ų | 154 | 149.8 Ų | 149.8 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | | | trans | -100.8 | 130.3 | 166.7 | -84.4 | -61.6 | 0 | 0 | 0 | 109.1 | | |
| 514 | D | 50.5 | Low | 40.7 | Very low | 154 Ų | 154 | 156.5 Ų | 156.5 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | | | trans | -82 | 141 | 176.1 | -62.3 | -68.5 | 0 | 0 | 0 | 111.1 | | |
| 515 | R | 44.8 | Very low | 41 | Very low | 217 Ų | 217 | 160.9 Ų | 160.9 | 82% | 0.819 | 80% | 0.799 | S | S | * | * | | | trans | -159.3 | 127.8 | 146.9 | -114.4 | -165.4 | 165.9 | 86.6 | 4.5 | 113.6 | | |
| 516 | D | 36.3 | Very low | 41.1 | Very low | 120 Ų | 120 | 159.1 Ų | 159.1 | 64% | 0.642 | 80% | 0.797 | S | S | * | * | | | trans | 49.9 | 89.8 | 148 | -43.3 | -24.6 | 0 | 0 | 0 | 116.3 | | |
| 517 | D | 40.5 | Very low | 41.2 | Very low | 169 Ų | 169 | 159.9 Ų | 159.9 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | | | | 80.9 | 118.9 | 82.2 | -86.4 | -42.7 | 0 | 0 | 0 | 115.1 | | |
| 518 | G | 34.3 | Very low | 41.2 | Very low | 69 Ų | 69 | 157.5 Ų | 157.5 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | | | trans | -165 | 14.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 519 | V | 41.2 | Very low | 41.5 | Very low | 128 Ų | 128 | 157.4 Ų | 157.4 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | 62.2 | 166.6 | 164.3 | -122.5 | 0 | 0 | 0 | 0 | 120.5 | Y521 | V519-Y521 PolarHBondContact O-N 3.36Š|
| 520 | D | 44.7 | Very low | 41.5 | Very low | 136 Ų | 136 | 157.4 Ų | 157.4 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | 70.9 | 11.2 | 162 | -73.8 | 6.4 | 0 | 0 | 0 | 122.6 | W522 | D520-W522 PolarHBondContact O-N 2.95Š|
| 521 | Y | 45.3 | Very low | 41.7 | Very low | 233 Ų | 233 | 158 Ų | 158 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 57 | 164.8 | -90.3 | -77.8 | 0 | 0 | 0 | 114.9 | V519 | V519-Y521 PolarHBondContact O-N 3.36Š|
| 522 | W | 44.2 | Very low | 41.6 | Very low | 230 Ų | 230 | 159.3 Ų | 159.3 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -160.9 | -10.3 | 154.6 | -119.6 | 39 | 0 | 0 | 0 | 116.7 | D520 K524 | D520-W522 PolarHBondContact O-N 2.95Å; W522-K524 PolarHBondContact O-N 3.33Å |
| 523 | A | 44.3 | Very low | 41.8 | Very low | 78 Ų | 78 | 159.9 Ų | 159.9 | 65% | 0.645 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 120.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 524 | K | 41.3 | Very low | 41.6 | Very low | 204 Ų | 204 | 163.6 Ų | 163.6 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70 | 51.9 | 163.4 | -57.3 | 174.6 | -177 | 169.3 | 0 | 117.5 | W522 G526 | W522-K524 PolarHBondContact O-N 3.33Å; K524-G526 PolarHBondContact O-N 2.63Å |
| 525 | R | 42.3 | Very low | 41.3 | Very low | 231 Ų | 231 | 159.8 Ų | 159.8 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | | | trans | -64.3 | 99.3 | 152.6 | -170.8 | -168 | -58.7 | 164.9 | 3.4 | 109.7 | | |
| 526 | G | 36.3 | Very low | 41.2 | Very low | 64 Ų | 64 | 159.4 Ų | 159.4 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | | | trans | -152.8 | 120.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K524 | K524-G526 PolarHBondContact O-N 2.63Š|
| 527 | R | 41.2 | Very low | 41.7 | Very low | 250 Ų | 250 | 157.7 Ų | 157.7 | 94% | 0.943 | 82% | 0.819 | S | S | * | * | | | trans | 59 | 88.9 | -177.1 | -53.4 | -169.9 | -162.7 | -88.6 | 6.8 | 115.3 | | |
| 528 | G | 44.3 | Very low | 41.9 | Very low | 79 Ų | 79 | 158.4 Ų | 158.4 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | | | trans | -72.3 | 145.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 529 | R | 43.5 | Very low | 42 | Very low | 250 Ų | 250 | 164.4 Ų | 164.4 | 94% | 0.943 | 82% | 0.816 | S | S | * | * | | | trans | -133.8 | 140.4 | 153.6 | -73.4 | -166.2 | 175.2 | -142.2 | -0.2 | 108.1 | | |
| 530 | G | 37 | Very low | 41.9 | Very low | 59 Ų | 59 | 164.7 Ų | 164.7 | 61% | 0.608 | 81% | 0.813 | S | S | * | * | | | trans | -69.3 | 149.9 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | F532 | G530-F532 VanDerWaalsContact C-N 3.3Å; G530-F532 PolarHBondContact O-N 2.77Å |
| 531 | T | 43.5 | Very low | 41.8 | Very low | 142 Ų | 142 | 167 Ų | 167 | 87% | 0.871 | 82% | 0.817 | S | S | * | * | | | trans | -73.4 | 75.1 | 175.7 | 49.4 | 0 | 0 | 0 | 0 | 111.9 | Q533 | T531-Q533 PolarHBondContact O-N 2.8Š|
| 532 | F | 34.4 | Very low | 41.6 | Very low | 197 Ų | 197 | 164.5 Ų | 164.5 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | | | trans | -70.5 | 108.3 | 167.2 | -73.8 | -79.5 | 0 | 0 | 0 | 110 | G530 R534 | G530-F532 VanDerWaalsContact C-N 3.3Å; G530-F532 PolarHBondContact O-N 2.77Å; F532-R534 VanDerWaalsContact C-N 3.33Å; F532-R534 PolarHBondContact O-N 2.86Å |
| 533 | Q | 43.5 | Very low | 41.9 | Very low | 193 Ų | 193 | 163.2 Ų | 163.2 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | | | trans | -69.8 | 88.8 | 171.1 | -67.8 | -167.8 | 1.2 | 0 | 0 | 110 | T531 G535 | T531-Q533 PolarHBondContact O-N 2.8Å; Q533-G535 PolarHBondContact O-N 2.68Å |
| 534 | R | 40.9 | Very low | 41.7 | Very low | 232 Ų | 232 | 163.9 Ų | 163.9 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | | | trans | -63.1 | 104.6 | 170.9 | 177.8 | 179.4 | -98.2 | -117.3 | 2.4 | 108.8 | F532 R536 | F532-R534 VanDerWaalsContact C-N 3.33Å; F532-R534 PolarHBondContact O-N 2.86Å; R534-R536 PolarHBondContact O-N 3.01Å |
| 535 | G | 43.7 | Very low | 42 | Very low | 74 Ų | 74 | 158.7 Ų | 158.7 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | | | trans | -53.7 | 111.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q533 G537 | Q533-G535 PolarHBondContact O-N 2.68Å; G535-G537 PolarHBondContact O-N 2.9Å; G535-G537 VanDerWaalsContact O-N 3.07Å |
| 536 | R | 43.2 | Very low | 42.3 | Very low | 209 Ų | 209 | 152 Ų | 152 | 79% | 0.789 | 81% | 0.805 | S | S | * | * | | | trans | -80.4 | 85.8 | 174.9 | -72.3 | -169.3 | -178.9 | -124 | 8.3 | 109.5 | R534 R538 | R534-R536 PolarHBondContact O-N 3.01Å; R536-R538 VanDerWaalsContact C-N 3.31Å; R536-R538 PolarHBondContact O-N 3.04Å |
| 537 | G | 46.6 | Very low | 42.5 | Very low | 84 Ų | 84 | 152.5 Ų | 152.5 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | | | trans | -61 | 89.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G535 | G535-G537 PolarHBondContact O-N 2.9Å; G535-G537 VanDerWaalsContact O-N 3.07Å |
| 538 | R | 43.8 | Very low | 43.2 | Very low | 184 Ų | 184 | 144.1 Ų | 144.1 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | | | trans | -95.4 | 109 | 170.6 | -70 | -161.8 | 178.7 | -77.3 | 11.5 | 109 | R536 N540 | R536-R538 VanDerWaalsContact C-N 3.31Å; R536-R538 PolarHBondContact O-N 3.04Å; R538-N540 PolarHBondContact O-N 3.18Å |
| 539 | F | 36.4 | Very low | 43.7 | Very low | 195 Ų | 195 | 149.5 Ų | 149.5 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | | | trans | -66.5 | 111 | 171 | -169.4 | -92.6 | 0 | 0 | 0 | 109.2 | F541 | F539-F541 PolarHBondContact O-N 3.17Š|
| 540 | N | 39.9 | Very low | 44 | Very low | 134 Ų | 134 | 147.3 Ų | 147.3 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | | | trans | -81.2 | 101 | -177.1 | -76.4 | -49.3 | 0 | 0 | 0 | 110.5 | R538 K542 | R538-N540 PolarHBondContact O-N 3.18Å; N540-K542 VanDerWaalsContact C-N 3.35Å; N540-K542 PolarHBondContact O-N 3.25Å |
| 541 | F | 41.9 | Very low | 44.3 | Very low | 184 Ų | 184 | 148.2 Ų | 148.2 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | | | trans | -68.6 | 89.4 | 172 | -168 | -89.7 | 0 | 0 | 0 | 110.4 | F539 | F539-F541 PolarHBondContact O-N 3.17Š|
| 542 | K | 41.1 | Very low | 44.4 | Very low | 181 Ų | 181 | 147.4 Ų | 147.4 | 79% | 0.787 | 75% | 0.749 | S | S | * | * | | | trans | -89.5 | 129.4 | 168.9 | -82.8 | -172.6 | 172.5 | -177.5 | 0 | 109.9 | N540 S544 | N540-K542 VanDerWaalsContact C-N 3.35Å; N540-K542 PolarHBondContact O-N 3.25Å; K542-S544 PolarHBondContact O-N 2.93Å |
| 543 | K | 50.7 | Low | 45.3 | Very low | 204 Ų | 204 | 143.4 Ų | 143.4 | 89% | 0.887 | 74% | 0.737 | S | S | * | * | | | trans | -70.1 | 87.4 | -176.4 | -174.8 | -178.2 | 179.6 | -177.7 | 0 | 111.5 | | |
| 544 | S | 39.3 | Very low | 45.6 | Very low | 91 Ų | 91 | 141.5 Ų | 141.5 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | | | trans | -72.6 | 134.5 | 167.5 | 50.8 | 0 | 0 | 0 | 0 | 110.7 | K542 S546 | K542-S544 PolarHBondContact O-N 2.93Å; S544-S546 PolarHBondContact O-N 2.77Å |
| 545 | G | 49.4 | Very low | 46.1 | Very low | 96 Ų | 96 | 141.3 Ų | 141.3 | 99% | 0.99 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -75.1 | 39.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 546 | S | 47.5 | Very low | 46 | Very low | 89 Ų | 89 | 145.2 Ų | 145.2 | 62% | 0.622 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -151.4 | 132.2 | 178.1 | -175.3 | 0 | 0 | 0 | 0 | 109 | S544 | S544-S546 PolarHBondContact O-N 2.77Š|
| 547 | S | 41.3 | Very low | 45.8 | Very low | 76 Ų | 76 | 138.4 Ų | 138.4 | 53% | 0.531 | 72% | 0.72 | S | S | . | * | | | trans | -71.6 | 139.8 | 178.5 | -164.4 | 0 | 0 | 0 | 0 | 110.2 | K549 T551 | S547-K549 PolarHBondContact O-N 3.46Å; S547-T551 PolarHBondContact OG-OG1 3.38Å; S547-T551 VanDerWaalsContact OG-OG1 3.05Å |
| 548 | P | 54.4 | Low | 45.8 | Very low | 74 Ų | 74 | 142.6 Ų | 142.6 | 48% | 0.481 | 72% | 0.722 | S | S | . | * | | | trans | -54.4 | 122.9 | 171.5 | -25.9 | 35.7 | 0 | 0 | 0 | 111.1 | W550 T551 | P548-W550 VanDerWaalsContact CB-CD1 3.49Å; P548-W550 HydrophobicContact CB-CG 4.46Å; P548-W550 PolarHBondContact O-N 2.81Å; P548-T551 PolarHBondContact O-N 3.37Å; P548-T551 PolarHBondContact O-OG1 2.87Å |
| 549 | K | 56.4 | Low | 45.4 | Very low | 192 Ų | 192 | 137.2 Ų | 137.2 | 84% | 0.835 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -58 | -15.4 | -170.9 | -77.3 | -179.8 | 63.8 | 71.4 | 0 | 115.4 | S547 T551 | S547-K549 PolarHBondContact O-N 3.46Å; K549-T551 PolarHBondContact O-N 3.41Å |
| 550 | W | 47.9 | Very low | 46 | Very low | 204 Ų | 204 | 135 Ų | 135 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -69.1 | -16 | 174.3 | 68.8 | -96.4 | 0 | 0 | 0 | 113.9 | P548 H552 | P548-W550 VanDerWaalsContact CB-CD1 3.49Å; P548-W550 HydrophobicContact CB-CG 4.46Å; P548-W550 PolarHBondContact O-N 2.81Å; W550-H552 PolarHBondContact O-N 3.41Å |
| 551 | T | 45.3 | Very low | 46.1 | Very low | 78 Ų | 78 | 134.8 Ų | 134.8 | 48% | 0.479 | 72% | 0.723 | S | S | . | * | G | 310 helix | trans | -78.9 | 0.2 | 178.5 | 69.6 | 0 | 0 | 0 | 0 | 114.3 | S547 P548 K549 | S547-T551 PolarHBondContact OG-OG1 3.38Å; S547-T551 VanDerWaalsContact OG-OG1 3.05Å; P548-T551 PolarHBondContact O-N 3.37Å; P548-T551 PolarHBondContact O-OG1 2.87Å; K549-T551 PolarHBondContact O-N 3.41Å |
| 552 | H | 44 | Very low | 46.1 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 57% | 0.574 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -108.8 | -6.5 | -174.7 | -148.5 | -72.6 | 0 | 0 | 0 | 114 | W550 Q556 | W550-H552 PolarHBondContact O-N 3.41Å; H552-Q556 PolarHBondContact CE1-OE1 3.37Å; H552-Q556 VanDerWaalsContact CE1-OE1 3.26Å; H552-Q556 PolarHBondContact ND1-OE1 2.98Å |
| 553 | D | 53.1 | Low | 46.1 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 61% | 0.61 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -93.3 | 8.5 | -166.3 | -176.8 | 54.3 | 0 | 0 | 0 | 114.1 | | |
| 554 | K | 50.7 | Low | 45.9 | Very low | 153 Ų | 153 | 125.8 Ų | 125.8 | 67% | 0.665 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -131.4 | 1.9 | -172.6 | -62.4 | -70.4 | 154.7 | -99.7 | 0 | 115.7 | | |
| 555 | Y | 51.3 | Low | 46.3 | Very low | 228 Ų | 228 | 130 Ų | 130 | 89% | 0.894 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -141.9 | 33.7 | 177.6 | -73.2 | -73 | 0 | 0 | 0 | 113.5 | | |
| 556 | Q | 42.1 | Very low | 46.2 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 73% | 0.729 | 70% | 0.697 | S | S | * | * | | | trans | -115.3 | 104.4 | 152.6 | -72.4 | -175.8 | -71.1 | 0 | 0 | 106.9 | H552 | H552-Q556 PolarHBondContact CE1-OE1 3.37Å; H552-Q556 VanDerWaalsContact CE1-OE1 3.26Å; H552-Q556 PolarHBondContact ND1-OE1 2.98Å |
| 557 | G | 38.2 | Very low | 46 | Very low | 66 Ų | 66 | 133.5 Ų | 133.5 | 68% | 0.68 | 69% | 0.694 | S | S | * | * | | | trans | -90 | 146.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | G559 | G557-G559 PolarHBondContact O-N 3.49Š|
| 558 | D | 47.4 | Very low | 46.2 | Very low | 172 Ų | 172 | 136.9 Ų | 136.9 | 92% | 0.92 | 70% | 0.703 | S | S | * | * | | | trans | 35.1 | 69.4 | 153.2 | -49.1 | -22.3 | 0 | 0 | 0 | 116.3 | | |
| 559 | G | 35.5 | Very low | 45.9 | Very low | 71 Ų | 71 | 141.3 Ų | 141.3 | 73% | 0.732 | 72% | 0.717 | S | S | * | * | | | trans | -99.4 | 110.4 | 160 | 0 | 0 | 0 | 0 | 0 | 109.4 | G557 V561 | G557-G559 PolarHBondContact O-N 3.49Å; G559-V561 PolarHBondContact O-N 2.81Å |
| 560 | I | 48.1 | Very low | 45.3 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 76% | 0.764 | 70% | 0.701 | S | S | * | * | | | trans | -64.7 | 130.2 | 178.7 | -71.2 | 169.5 | 0 | 0 | 0 | 110.6 | E562 | I560-E562 HydrophobicContact CG2-CG 4.07Š|
| 561 | V | 41.4 | Very low | 45.3 | Very low | 129 Ų | 129 | 132 Ų | 132 | 78% | 0.782 | 69% | 0.692 | S | S | * | * | | | trans | -143.4 | 81.9 | 155.4 | -178.1 | 0 | 0 | 0 | 0 | 103.8 | G559 | G559-V561 PolarHBondContact O-N 2.81Š|
| 562 | E | 42.9 | Very low | 45.5 | Very low | 128 Ų | 128 | 135 Ų | 135 | 60% | 0.598 | 70% | 0.7 | S | S | * | * | | | | 77.6 | 91.4 | 92.7 | -74.9 | 174.6 | 147.6 | 0 | 0 | 111.6 | I560 D564 | I560-E562 HydrophobicContact CG2-CG 4.07Å; E562-D564 PolarHBondContact O-N 3.29Å |
| 563 | D | 41.3 | Very low | 46 | Very low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 70% | 0.696 | S | S | * | * | | | trans | -68.4 | 79.3 | 156.1 | -90.2 | -51.9 | 0 | 0 | 0 | 108.2 | E565 | D563-E565 PolarHBondContact O-N 2.81Š|
| 564 | D | 46.5 | Very low | 46 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 56% | 0.561 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -3.6 | -174.4 | -105.2 | -7.6 | 0 | 0 | 0 | 114 | E562 | E562-D564 PolarHBondContact O-N 3.29Š|
| 565 | E | 46.9 | Very low | 46 | Very low | 179 Ų | 179 | 134.2 Ų | 134.2 | 84% | 0.836 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -29.4 | -177.3 | -61.3 | -162.1 | 172.3 | 0 | 0 | 114.1 | D563 T567 | D563-E565 PolarHBondContact O-N 2.81Å; E565-T567 PolarHBondContact O-N 2.75Å |
| 566 | E | 47.1 | Very low | 46.1 | Very low | 168 Ų | 168 | 127.6 Ų | 127.6 | 79% | 0.785 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -77.2 | -16.1 | -179 | -69 | -160.3 | 158.5 | 0 | 0 | 114.4 | | |
| 567 | T | 43.8 | Very low | 46.7 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 56% | 0.564 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -89.7 | -14.7 | -172.8 | 66.1 | 0 | 0 | 0 | 0 | 114.9 | E565 | E565-T567 PolarHBondContact O-N 2.75Å |
| 568 | M | 45.8 | Very low | 47.3 | Very low | 147 Ų | 147 | 135 Ų | 135 | 72% | 0.724 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -67 | -52.9 | 176.9 | -70.8 | -74.7 | -172.6 | 0 | 0 | 111.5 | N570 N571 | M568-N570 PolarHBondContact O-N 3.48Å; M568-N571 PolarHBondContact O-N 2.87Å |
| 569 | E | 47.3 | Very low | 47.5 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 78% | 0.78 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65.8 | -40.9 | -169.7 | -154.4 | 170.4 | -132.8 | 0 | 0 | 112 | N571 E572 E573 | E569-N571 PolarHBondContact O-N 2.86Å; E569-N571 VanDerWaalsContact O-N 3.16Å; E569-E572 PolarHBondContact O-N 3.24Å; E569-E573 PolarHBondContact O-N 3.26Å |
| 570 | N | 45.6 | Very low | 48.3 | Very low | 91 Ų | 91 | 138.6 Ų | 138.6 | 49% | 0.487 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -69 | -12.7 | -179.5 | -146.8 | -73.3 | 0 | 0 | 0 | 114.2 | M568 K574 | M568-N570 PolarHBondContact O-N 3.48Å; N570-K574 PolarHBondContact OD1-NZ 3.13Å |
| 571 | N | 46.5 | Very low | 48.6 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 58% | 0.578 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -96.8 | -22.7 | 179.8 | -155.6 | 1.2 | 0 | 0 | 0 | 112.1 | M568 E569 | M568-N571 PolarHBondContact O-N 2.87Å; E569-N571 PolarHBondContact O-N 2.86Å; E569-N571 VanDerWaalsContact O-N 3.16Å |
| 572 | E | 50.8 | Low | 49 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 66% | 0.659 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -76.7 | -46.4 | 173.5 | -163.3 | 136.9 | -118.3 | 0 | 0 | 110.7 | E569 K574 K575 D576 | E569-E572 PolarHBondContact O-N 3.24Å; E572-K574 PolarHBondContact O-N 2.94Å; E572-K574 VanDerWaalsContact O-N 3.16Å; E572-K575 WeakPolarHBondContact O-CB 3.47Å; E572-K575 PolarHBondContact O-N 3.08Å; E572-D576 PolarHBondContact O-N 3.32Å |
| 573 | E | 52.8 | Low | 48.9 | Very low | 103 Ų | 103 | 148.8 Ų | 148.8 | 48% | 0.481 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -57 | -33.7 | 175.8 | -157.7 | -152.7 | 155.2 | 0 | 0 | 112.7 | E569 K575 R577 | E569-E573 PolarHBondContact O-N 3.26Å; E573-K575 VanDerWaalsContact C-N 3.34Å; E573-R577 WeakPolarHBondContact O-CG 3.46Å; E573-R577 PolarHBondContact O-N 3.2Å; E573-R577 IonicContact OE1-CZ 2.63Å; E573-R577 IonicContact OE1-NH1 3.09Å; E573-R577 PolarHBondContact OE1-NH1 2.82Å |
| 574 | K | 53.4 | Low | 49.3 | Very low | 128 Ų | 128 | 149 Ų | 149 | 56% | 0.557 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -76.5 | -13.1 | 176.2 | -79.4 | -167.9 | -173.4 | 76.8 | 0 | 114.8 | N570 E572 | N570-K574 PolarHBondContact OD1-NZ 3.13Å; E572-K574 PolarHBondContact O-N 2.94Å; E572-K574 VanDerWaalsContact O-N 3.16Å |
| 575 | K | 52.3 | Low | 49.5 | Very low | 145 Ų | 145 | 151.3 Ų | 151.3 | 63% | 0.63 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -84 | -46.1 | 175.5 | -91.7 | 179.9 | 177.7 | 169.7 | 0 | 112.1 | E572 E573 R578 K579 | E572-K575 WeakPolarHBondContact O-CB 3.47Å; E572-K575 PolarHBondContact O-N 3.08Å; E573-K575 VanDerWaalsContact C-N 3.34Å; K575-R578 WeakPolarHBondContact O-CA 3.45Å; K575-R578 WeakPolarHBondContact O-CB 3.37Å; K575-R578 PolarHBondContact O-N 2.92Å; K575-K579 PolarHBondContact O-N 3Å |
| 576 | D | 52 | Low | 49.6 | Very low | 88 Ų | 88 | 149.7 Ų | 149.7 | 47% | 0.471 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -73.8 | -35 | -176.5 | -73.7 | -31.3 | 0 | 0 | 0 | 112.2 | E572 R578 K579 E580 | E572-D576 PolarHBondContact O-N 3.32Å; D576-R578 PolarHBondContact O-N 3.09Å; D576-K579 PolarHBondContact O-N 3.03Å; D576-K579 IonicContact OD1-NZ 2.75Å; D576-K579 PolarHBondContact OD1-NZ 3.18Å; D576-E580 PolarHBondContact O-N 2.87Å |
| 577 | R | 54.2 | Low | 49.7 | Very low | 172 Ų | 172 | 148.6 Ų | 148.6 | 65% | 0.649 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -7.6 | 166 | -68.9 | -179 | 116.1 | 154.4 | -0 | 114.3 | E573 | E573-R577 WeakPolarHBondContact O-CG 3.46Å; E573-R577 PolarHBondContact O-N 3.2Å; E573-R577 IonicContact OE1-CZ 2.63Å; E573-R577 IonicContact OE1-NH1 3.09Å; E573-R577 PolarHBondContact OE1-NH1 2.82Å |
| 578 | R | 50.8 | Low | 50.1 | Low | 206 Ų | 206 | 152.2 Ų | 152.2 | 78% | 0.777 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | 4.3 | 175.7 | -139.1 | 179 | -169.1 | -172 | 3.7 | 114.4 | K575 D576 | K575-R578 WeakPolarHBondContact O-CA 3.45Å; K575-R578 WeakPolarHBondContact O-CB 3.37Å; K575-R578 PolarHBondContact O-N 2.92Å; D576-R578 PolarHBondContact O-N 3.09Å |
| 579 | K | 52.4 | Low | 50.4 | Low | 146 Ų | 146 | 152.5 Ų | 152.5 | 64% | 0.635 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -38 | 161.8 | -73.4 | 177.8 | -171.9 | 144 | 0 | 111.7 | K575 D576 E581 K582 | K575-K579 PolarHBondContact O-N 3Å; D576-K579 PolarHBondContact O-N 3.03Å; D576-K579 IonicContact OD1-NZ 2.75Å; D576-K579 PolarHBondContact OD1-NZ 3.18Å; K579-E581 PolarHBondContact O-N 3.47Å; K579-K582 PolarHBondContact O-N 2.84Å; K579-K582 VanDerWaalsContact O-N 3.1Å |
| 580 | E | 52.6 | Low | 50.6 | Low | 172 Ų | 172 | 151.5 Ų | 151.5 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -16.9 | -175.1 | -156.7 | 171 | -141.9 | 0 | 0 | 113.5 | D576 K582 | D576-E580 PolarHBondContact O-N 2.87Å; E580-K582 VanDerWaalsContact C-N 3.29Å; E580-K582 PolarHBondContact O-N 2.86Å |
| 581 | E | 53.6 | Low | 51 | Low | 171 Ų | 171 | 156.2 Ų | 156.2 | 80% | 0.799 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 21.3 | 172.8 | -154 | 179.8 | -139.9 | 0 | 0 | 112.5 | K579 | K579-E581 PolarHBondContact O-N 3.47Š|
| 582 | K | 50.2 | Low | 51.4 | Low | 190 Ų | 190 | 160.2 Ų | 160.2 | 83% | 0.826 | 71% | 0.709 | S | S | * | * | | | trans | -152.1 | 43 | -177.7 | -133.6 | -176.2 | -174.7 | -168.6 | 0 | 116.5 | K579 E580 | K579-K582 PolarHBondContact O-N 2.84Å; K579-K582 VanDerWaalsContact O-N 3.1Å; E580-K582 VanDerWaalsContact C-N 3.29Å; E580-K582 PolarHBondContact O-N 2.86Å |
| 583 | E | 41.8 | Very low | 51.5 | Low | 260 Ų | 260 | 161.9 Ų | 161.9 | 100% | 1.215 | 71% | 0.713 | S | S | * | * | | | trans | -120.4 | 0 | 158.4 | -168.9 | 163.8 | -178.2 | 0 | 0 | 109.6 | | |